USER MOD reduce.3.24.130724 H: found=0, std=0, add=997, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 994 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 98 LYS NZ :NH3+ 142:sc= 0.0122 (180deg=0) USER MOD Set 1.2: A 122 HIS :FLIP no HE2:sc= -0.692 F(o=-1.4,f=-0.68) USER MOD Set 2.1: A 73 HIS : no HE2:sc= -0.787 K(o=0.43,f=-7.7!) USER MOD Set 2.2: A 85 SER OG : rot -114:sc= 1.22 USER MOD Set 3.1: A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 150:sc= -0.876 USER MOD Single : A 18 LYS NZ :NH3+ -168:sc=-0.00394 (180deg=-0.228) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.299 X(o=-0.3,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc=-0.00408 K(o=-0.0041,f=-1.4) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 6:sc= -3.24! USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS : no HE2:sc= -6.99! X(o=-7!,f=-6.8) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN :FLIP amide:sc= 0 F(o=-0.77,f=0) USER MOD Single : A 80 HIS : no HE2:sc= -0.345 K(o=-0.34,f=-0.94) USER MOD Single : A 81 THR OG1 : rot 58:sc= 0.947 USER MOD Single : A 82 TYR OH : rot 165:sc= -0.591 USER MOD Single : A 83 SER OG : rot -65:sc= 1.2 USER MOD Single : A 84 TYR OH : rot 118:sc= 1.57 USER MOD Single : A 93 SER OG : rot 45:sc= 0.13 USER MOD Single : A 95 ASN : amide:sc= -0.531 X(o=-0.53,f=-0.033) USER MOD Single : A 101 TYR OH : rot 30:sc= -1.16! 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 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 113 THR OG1 : rot 107:sc= -0.126 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot -146:sc= 0.73 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 120 LYS NZ :NH3+ -158:sc= 0.359 (180deg=0.113) USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 143 HIS :FLIP no HD1:sc= -1.24 F(o=-2!,f=-1.2) USER MOD Single : A 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 151 TYR OH : rot 180:sc= -0.582 USER MOD ----------------------------------------------------------------- ATOM 8 N VAL A 3 -7.153 -0.934 18.628 1.00 0.00 N ATOM 9 CA VAL A 3 -5.964 -1.345 17.830 1.00 0.00 C ATOM 10 C VAL A 3 -5.421 -0.139 17.061 1.00 0.00 C ATOM 11 O VAL A 3 -6.165 0.660 16.529 1.00 0.00 O ATOM 12 CB VAL A 3 -6.369 -2.446 16.845 1.00 0.00 C ATOM 13 CG1 VAL A 3 -5.280 -2.616 15.783 1.00 0.00 C ATOM 14 CG2 VAL A 3 -6.550 -3.762 17.603 1.00 0.00 C ATOM 0 HA VAL A 3 -5.190 -1.723 18.498 1.00 0.00 H new ATOM 0 HB VAL A 3 -7.305 -2.170 16.359 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -5.572 -3.400 15.085 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -5.150 -1.679 15.242 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -4.342 -2.891 16.265 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -6.838 -4.548 16.904 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.613 -4.034 18.088 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -7.328 -3.644 18.357 1.00 0.00 H new ATOM 24 N TYR A 4 -4.125 -0.004 16.999 1.00 0.00 N ATOM 25 CA TYR A 4 -3.527 1.145 16.264 1.00 0.00 C ATOM 26 C TYR A 4 -2.683 0.619 15.101 1.00 0.00 C ATOM 27 O TYR A 4 -2.217 -0.504 15.119 1.00 0.00 O ATOM 28 CB TYR A 4 -2.640 1.950 17.216 1.00 0.00 C ATOM 29 CG TYR A 4 -3.472 2.457 18.370 1.00 0.00 C ATOM 30 CD1 TYR A 4 -4.217 3.634 18.231 1.00 0.00 C ATOM 31 CD2 TYR A 4 -3.498 1.751 19.578 1.00 0.00 C ATOM 32 CE1 TYR A 4 -4.989 4.105 19.300 1.00 0.00 C ATOM 33 CE2 TYR A 4 -4.269 2.222 20.648 1.00 0.00 C ATOM 34 CZ TYR A 4 -5.015 3.399 20.509 1.00 0.00 C ATOM 35 OH TYR A 4 -5.775 3.863 21.563 1.00 0.00 O ATOM 0 H TYR A 4 -3.453 -0.641 17.427 1.00 0.00 H new ATOM 0 HA TYR A 4 -4.320 1.785 15.877 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -1.826 1.327 17.587 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -2.185 2.787 16.686 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -4.196 4.179 17.299 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -2.923 0.843 19.685 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -5.564 5.013 19.192 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -4.288 1.677 21.580 1.00 0.00 H new ATOM 0 HH TYR A 4 -5.682 3.255 22.326 1.00 0.00 H new ATOM 45 N THR A 5 -2.483 1.417 14.090 1.00 0.00 N ATOM 46 CA THR A 5 -1.671 0.956 12.928 1.00 0.00 C ATOM 47 C THR A 5 -0.215 1.387 13.120 1.00 0.00 C ATOM 48 O THR A 5 0.065 2.485 13.558 1.00 0.00 O ATOM 49 CB THR A 5 -2.222 1.575 11.642 1.00 0.00 C ATOM 50 OG1 THR A 5 -3.635 1.430 11.617 1.00 0.00 O ATOM 51 CG2 THR A 5 -1.612 0.868 10.430 1.00 0.00 C ATOM 0 H THR A 5 -2.846 2.368 14.017 1.00 0.00 H new ATOM 0 HA THR A 5 -1.722 -0.131 12.858 1.00 0.00 H new ATOM 0 HB THR A 5 -1.964 2.634 11.608 1.00 0.00 H new ATOM 0 HG1 THR A 5 -3.990 1.828 10.795 1.00 0.00 H new ATOM 0 HG21 THR A 5 -2.006 1.310 9.515 1.00 0.00 H new ATOM 0 HG22 THR A 5 -0.528 0.981 10.451 1.00 0.00 H new ATOM 0 HG23 THR A 5 -1.867 -0.191 10.460 1.00 0.00 H new ATOM 59 N TYR A 6 0.715 0.529 12.798 1.00 0.00 N ATOM 60 CA TYR A 6 2.151 0.890 12.965 1.00 0.00 C ATOM 61 C TYR A 6 2.821 0.966 11.591 1.00 0.00 C ATOM 62 O TYR A 6 2.647 0.102 10.755 1.00 0.00 O ATOM 63 CB TYR A 6 2.849 -0.175 13.812 1.00 0.00 C ATOM 64 CG TYR A 6 2.294 -0.145 15.216 1.00 0.00 C ATOM 65 CD1 TYR A 6 2.748 0.815 16.129 1.00 0.00 C ATOM 66 CD2 TYR A 6 1.324 -1.077 15.605 1.00 0.00 C ATOM 67 CE1 TYR A 6 2.233 0.843 17.430 1.00 0.00 C ATOM 68 CE2 TYR A 6 0.809 -1.049 16.906 1.00 0.00 C ATOM 69 CZ TYR A 6 1.263 -0.090 17.819 1.00 0.00 C ATOM 70 OH TYR A 6 0.756 -0.063 19.102 1.00 0.00 O ATOM 0 H TYR A 6 0.542 -0.405 12.427 1.00 0.00 H new ATOM 0 HA TYR A 6 2.227 1.858 13.461 1.00 0.00 H new ATOM 0 HB2 TYR A 6 2.700 -1.161 13.371 1.00 0.00 H new ATOM 0 HB3 TYR A 6 3.924 0.006 13.830 1.00 0.00 H new ATOM 0 HD1 TYR A 6 3.496 1.534 15.829 1.00 0.00 H new ATOM 0 HD2 TYR A 6 0.973 -1.817 14.901 1.00 0.00 H new ATOM 0 HE1 TYR A 6 2.583 1.584 18.134 1.00 0.00 H new ATOM 0 HE2 TYR A 6 0.061 -1.768 17.206 1.00 0.00 H new ATOM 0 HH TYR A 6 0.092 -0.777 19.207 1.00 0.00 H new ATOM 80 N GLU A 7 3.589 1.994 11.353 1.00 0.00 N ATOM 81 CA GLU A 7 4.272 2.126 10.035 1.00 0.00 C ATOM 82 C GLU A 7 5.787 2.034 10.236 1.00 0.00 C ATOM 83 O GLU A 7 6.339 2.626 11.142 1.00 0.00 O ATOM 84 CB GLU A 7 3.920 3.479 9.412 1.00 0.00 C ATOM 85 CG GLU A 7 4.544 3.576 8.019 1.00 0.00 C ATOM 86 CD GLU A 7 4.257 4.958 7.427 1.00 0.00 C ATOM 87 OE1 GLU A 7 3.656 5.764 8.118 1.00 0.00 O ATOM 88 OE2 GLU A 7 4.644 5.186 6.293 1.00 0.00 O ATOM 0 H GLU A 7 3.773 2.748 12.015 1.00 0.00 H new ATOM 0 HA GLU A 7 3.944 1.325 9.372 1.00 0.00 H new ATOM 0 HB2 GLU A 7 2.838 3.591 9.346 1.00 0.00 H new ATOM 0 HB3 GLU A 7 4.286 4.289 10.043 1.00 0.00 H new ATOM 0 HG2 GLU A 7 5.620 3.410 8.078 1.00 0.00 H new ATOM 0 HG3 GLU A 7 4.137 2.799 7.371 1.00 0.00 H new ATOM 95 N ASN A 8 6.462 1.294 9.400 1.00 0.00 N ATOM 96 CA ASN A 8 7.939 1.163 9.546 1.00 0.00 C ATOM 97 C ASN A 8 8.626 1.652 8.269 1.00 0.00 C ATOM 98 O ASN A 8 8.249 1.290 7.173 1.00 0.00 O ATOM 99 CB ASN A 8 8.299 -0.303 9.788 1.00 0.00 C ATOM 100 CG ASN A 8 9.799 -0.421 10.069 1.00 0.00 C ATOM 101 OD1 ASN A 8 10.555 -0.852 9.223 1.00 0.00 O ATOM 102 ND2 ASN A 8 10.263 -0.051 11.232 1.00 0.00 N ATOM 0 H ASN A 8 6.055 0.775 8.622 1.00 0.00 H new ATOM 0 HA ASN A 8 8.274 1.765 10.391 1.00 0.00 H new ATOM 0 HB2 ASN A 8 7.729 -0.694 10.630 1.00 0.00 H new ATOM 0 HB3 ASN A 8 8.033 -0.902 8.917 1.00 0.00 H new ATOM 0 HD21 ASN A 8 11.261 -0.124 11.430 1.00 0.00 H new ATOM 0 HD22 ASN A 8 9.627 0.311 11.943 1.00 0.00 H new ATOM 109 N GLU A 9 9.633 2.472 8.403 1.00 0.00 N ATOM 110 CA GLU A 9 10.345 2.982 7.197 1.00 0.00 C ATOM 111 C GLU A 9 11.720 2.318 7.098 1.00 0.00 C ATOM 112 O GLU A 9 12.481 2.300 8.045 1.00 0.00 O ATOM 113 CB GLU A 9 10.518 4.498 7.312 1.00 0.00 C ATOM 114 CG GLU A 9 9.146 5.159 7.460 1.00 0.00 C ATOM 115 CD GLU A 9 9.316 6.677 7.540 1.00 0.00 C ATOM 116 OE1 GLU A 9 10.446 7.120 7.671 1.00 0.00 O ATOM 117 OE2 GLU A 9 8.315 7.371 7.469 1.00 0.00 O ATOM 0 H GLU A 9 9.993 2.811 9.295 1.00 0.00 H new ATOM 0 HA GLU A 9 9.764 2.748 6.305 1.00 0.00 H new ATOM 0 HB2 GLU A 9 11.144 4.739 8.171 1.00 0.00 H new ATOM 0 HB3 GLU A 9 11.026 4.885 6.429 1.00 0.00 H new ATOM 0 HG2 GLU A 9 8.512 4.898 6.613 1.00 0.00 H new ATOM 0 HG3 GLU A 9 8.648 4.791 8.357 1.00 0.00 H new ATOM 124 N PHE A 10 12.044 1.771 5.959 1.00 0.00 N ATOM 125 CA PHE A 10 13.369 1.109 5.801 1.00 0.00 C ATOM 126 C PHE A 10 13.903 1.369 4.390 1.00 0.00 C ATOM 127 O PHE A 10 13.163 1.374 3.427 1.00 0.00 O ATOM 128 CB PHE A 10 13.215 -0.398 6.021 1.00 0.00 C ATOM 129 CG PHE A 10 14.544 -1.080 5.798 1.00 0.00 C ATOM 130 CD1 PHE A 10 15.455 -1.202 6.853 1.00 0.00 C ATOM 131 CD2 PHE A 10 14.864 -1.590 4.534 1.00 0.00 C ATOM 132 CE1 PHE A 10 16.686 -1.836 6.646 1.00 0.00 C ATOM 133 CE2 PHE A 10 16.096 -2.223 4.326 1.00 0.00 C ATOM 134 CZ PHE A 10 17.006 -2.346 5.382 1.00 0.00 C ATOM 0 H PHE A 10 11.448 1.754 5.131 1.00 0.00 H new ATOM 0 HA PHE A 10 14.068 1.513 6.533 1.00 0.00 H new ATOM 0 HB2 PHE A 10 12.859 -0.594 7.033 1.00 0.00 H new ATOM 0 HB3 PHE A 10 12.468 -0.801 5.337 1.00 0.00 H new ATOM 0 HD1 PHE A 10 15.208 -0.807 7.827 1.00 0.00 H new ATOM 0 HD2 PHE A 10 14.161 -1.495 3.720 1.00 0.00 H new ATOM 0 HE1 PHE A 10 17.388 -1.932 7.461 1.00 0.00 H new ATOM 0 HE2 PHE A 10 16.344 -2.616 3.351 1.00 0.00 H new ATOM 0 HZ PHE A 10 17.956 -2.835 5.222 1.00 0.00 H new ATOM 144 N THR A 11 15.184 1.584 4.262 1.00 0.00 N ATOM 145 CA THR A 11 15.765 1.844 2.915 1.00 0.00 C ATOM 146 C THR A 11 16.576 0.627 2.466 1.00 0.00 C ATOM 147 O THR A 11 17.150 -0.080 3.270 1.00 0.00 O ATOM 148 CB THR A 11 16.680 3.070 2.983 1.00 0.00 C ATOM 149 OG1 THR A 11 17.892 2.718 3.635 1.00 0.00 O ATOM 150 CG2 THR A 11 15.984 4.186 3.764 1.00 0.00 C ATOM 0 H THR A 11 15.853 1.591 5.032 1.00 0.00 H new ATOM 0 HA THR A 11 14.962 2.028 2.202 1.00 0.00 H new ATOM 0 HB THR A 11 16.898 3.418 1.973 1.00 0.00 H new ATOM 0 HG1 THR A 11 18.480 3.501 3.678 1.00 0.00 H new ATOM 0 HG21 THR A 11 16.636 5.058 3.812 1.00 0.00 H new ATOM 0 HG22 THR A 11 15.054 4.455 3.263 1.00 0.00 H new ATOM 0 HG23 THR A 11 15.765 3.841 4.774 1.00 0.00 H new ATOM 158 N SER A 12 16.627 0.373 1.186 1.00 0.00 N ATOM 159 CA SER A 12 17.401 -0.801 0.690 1.00 0.00 C ATOM 160 C SER A 12 17.952 -0.498 -0.704 1.00 0.00 C ATOM 161 O SER A 12 17.607 0.491 -1.318 1.00 0.00 O ATOM 162 CB SER A 12 16.484 -2.023 0.622 1.00 0.00 C ATOM 163 OG SER A 12 15.526 -1.839 -0.411 1.00 0.00 O ATOM 0 H SER A 12 16.167 0.927 0.464 1.00 0.00 H new ATOM 0 HA SER A 12 18.228 -1.004 1.370 1.00 0.00 H new ATOM 0 HB2 SER A 12 17.071 -2.922 0.432 1.00 0.00 H new ATOM 0 HB3 SER A 12 15.981 -2.167 1.578 1.00 0.00 H new ATOM 0 HG SER A 12 15.276 -2.710 -0.784 1.00 0.00 H new ATOM 169 N ASP A 13 18.807 -1.346 -1.210 1.00 0.00 N ATOM 170 CA ASP A 13 19.379 -1.108 -2.565 1.00 0.00 C ATOM 171 C ASP A 13 18.373 -1.555 -3.629 1.00 0.00 C ATOM 172 O ASP A 13 17.267 -1.952 -3.322 1.00 0.00 O ATOM 173 CB ASP A 13 20.676 -1.906 -2.717 1.00 0.00 C ATOM 174 CG ASP A 13 21.612 -1.180 -3.685 1.00 0.00 C ATOM 175 OD1 ASP A 13 21.208 -0.157 -4.213 1.00 0.00 O ATOM 176 OD2 ASP A 13 22.716 -1.659 -3.882 1.00 0.00 O ATOM 0 H ASP A 13 19.133 -2.192 -0.743 1.00 0.00 H new ATOM 0 HA ASP A 13 19.590 -0.046 -2.691 1.00 0.00 H new ATOM 0 HB2 ASP A 13 21.159 -2.023 -1.747 1.00 0.00 H new ATOM 0 HB3 ASP A 13 20.458 -2.908 -3.088 1.00 0.00 H new ATOM 181 N ILE A 14 18.748 -1.493 -4.877 1.00 0.00 N ATOM 182 CA ILE A 14 17.812 -1.912 -5.959 1.00 0.00 C ATOM 183 C ILE A 14 16.646 -0.924 -6.032 1.00 0.00 C ATOM 184 O ILE A 14 16.149 -0.462 -5.024 1.00 0.00 O ATOM 185 CB ILE A 14 17.275 -3.313 -5.657 1.00 0.00 C ATOM 186 CG1 ILE A 14 18.400 -4.178 -5.085 1.00 0.00 C ATOM 187 CG2 ILE A 14 16.752 -3.946 -6.948 1.00 0.00 C ATOM 188 CD1 ILE A 14 18.081 -4.533 -3.631 1.00 0.00 C ATOM 0 H ILE A 14 19.662 -1.170 -5.195 1.00 0.00 H new ATOM 0 HA ILE A 14 18.340 -1.924 -6.912 1.00 0.00 H new ATOM 0 HB ILE A 14 16.465 -3.244 -4.931 1.00 0.00 H new ATOM 0 HG12 ILE A 14 18.511 -5.087 -5.677 1.00 0.00 H new ATOM 0 HG13 ILE A 14 19.348 -3.644 -5.140 1.00 0.00 H new ATOM 0 HG21 ILE A 14 16.369 -4.944 -6.735 1.00 0.00 H new ATOM 0 HG22 ILE A 14 15.951 -3.330 -7.357 1.00 0.00 H new ATOM 0 HG23 ILE A 14 17.563 -4.016 -7.673 1.00 0.00 H new ATOM 0 HD11 ILE A 14 18.882 -5.149 -3.223 1.00 0.00 H new ATOM 0 HD12 ILE A 14 17.992 -3.619 -3.044 1.00 0.00 H new ATOM 0 HD13 ILE A 14 17.142 -5.084 -3.589 1.00 0.00 H new ATOM 200 N PRO A 15 16.208 -0.590 -7.256 1.00 0.00 N ATOM 201 CA PRO A 15 15.103 0.350 -7.471 1.00 0.00 C ATOM 202 C PRO A 15 13.755 -0.244 -7.044 1.00 0.00 C ATOM 203 O PRO A 15 13.541 -1.439 -7.103 1.00 0.00 O ATOM 204 CB PRO A 15 15.124 0.593 -8.979 1.00 0.00 C ATOM 205 CG PRO A 15 15.768 -0.624 -9.549 1.00 0.00 C ATOM 206 CD PRO A 15 16.758 -1.102 -8.524 1.00 0.00 C ATOM 0 HA PRO A 15 15.220 1.260 -6.882 1.00 0.00 H new ATOM 0 HB2 PRO A 15 14.117 0.729 -9.372 1.00 0.00 H new ATOM 0 HB3 PRO A 15 15.687 1.492 -9.227 1.00 0.00 H new ATOM 0 HG2 PRO A 15 15.025 -1.394 -9.760 1.00 0.00 H new ATOM 0 HG3 PRO A 15 16.265 -0.395 -10.491 1.00 0.00 H new ATOM 0 HD2 PRO A 15 16.838 -2.189 -8.518 1.00 0.00 H new ATOM 0 HD3 PRO A 15 17.757 -0.710 -8.716 1.00 0.00 H new ATOM 214 N ALA A 16 12.853 0.590 -6.608 1.00 0.00 N ATOM 215 CA ALA A 16 11.514 0.104 -6.162 1.00 0.00 C ATOM 216 C ALA A 16 11.005 -1.029 -7.066 1.00 0.00 C ATOM 217 O ALA A 16 10.609 -2.072 -6.587 1.00 0.00 O ATOM 218 CB ALA A 16 10.519 1.267 -6.204 1.00 0.00 C ATOM 0 H ALA A 16 12.986 1.599 -6.540 1.00 0.00 H new ATOM 0 HA ALA A 16 11.607 -0.282 -5.147 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.538 0.919 -5.879 1.00 0.00 H new ATOM 0 HB2 ALA A 16 10.860 2.062 -5.540 1.00 0.00 H new ATOM 0 HB3 ALA A 16 10.449 1.650 -7.222 1.00 0.00 H new ATOM 224 N PRO A 17 10.988 -0.818 -8.395 1.00 0.00 N ATOM 225 CA PRO A 17 10.493 -1.825 -9.349 1.00 0.00 C ATOM 226 C PRO A 17 11.341 -3.103 -9.362 1.00 0.00 C ATOM 227 O PRO A 17 10.821 -4.197 -9.267 1.00 0.00 O ATOM 228 CB PRO A 17 10.581 -1.112 -10.698 1.00 0.00 C ATOM 229 CG PRO A 17 11.625 -0.071 -10.496 1.00 0.00 C ATOM 230 CD PRO A 17 11.448 0.402 -9.083 1.00 0.00 C ATOM 0 HA PRO A 17 9.489 -2.161 -9.091 1.00 0.00 H new ATOM 0 HB2 PRO A 17 10.856 -1.802 -11.495 1.00 0.00 H new ATOM 0 HB3 PRO A 17 9.625 -0.668 -10.976 1.00 0.00 H new ATOM 0 HG2 PRO A 17 12.623 -0.480 -10.651 1.00 0.00 H new ATOM 0 HG3 PRO A 17 11.504 0.750 -11.203 1.00 0.00 H new ATOM 0 HD2 PRO A 17 12.380 0.779 -8.661 1.00 0.00 H new ATOM 0 HD3 PRO A 17 10.717 1.208 -9.013 1.00 0.00 H new ATOM 238 N LYS A 18 12.634 -2.985 -9.486 1.00 0.00 N ATOM 239 CA LYS A 18 13.483 -4.211 -9.510 1.00 0.00 C ATOM 240 C LYS A 18 13.279 -5.000 -8.216 1.00 0.00 C ATOM 241 O LYS A 18 13.308 -6.215 -8.208 1.00 0.00 O ATOM 242 CB LYS A 18 14.955 -3.818 -9.645 1.00 0.00 C ATOM 243 CG LYS A 18 15.220 -3.322 -11.068 1.00 0.00 C ATOM 244 CD LYS A 18 16.715 -3.046 -11.242 1.00 0.00 C ATOM 245 CE LYS A 18 16.951 -2.345 -12.582 1.00 0.00 C ATOM 246 NZ LYS A 18 16.581 -3.264 -13.695 1.00 0.00 N ATOM 0 H LYS A 18 13.137 -2.102 -9.571 1.00 0.00 H new ATOM 0 HA LYS A 18 13.198 -4.830 -10.361 1.00 0.00 H new ATOM 0 HB2 LYS A 18 15.202 -3.038 -8.924 1.00 0.00 H new ATOM 0 HB3 LYS A 18 15.593 -4.673 -9.421 1.00 0.00 H new ATOM 0 HG2 LYS A 18 14.890 -4.067 -11.792 1.00 0.00 H new ATOM 0 HG3 LYS A 18 14.647 -2.415 -11.261 1.00 0.00 H new ATOM 0 HD2 LYS A 18 17.078 -2.423 -10.425 1.00 0.00 H new ATOM 0 HD3 LYS A 18 17.275 -3.980 -11.204 1.00 0.00 H new ATOM 0 HE2 LYS A 18 16.357 -1.433 -12.637 1.00 0.00 H new ATOM 0 HE3 LYS A 18 17.997 -2.051 -12.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 16.927 -2.875 -14.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 17.011 -4.197 -13.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 15.546 -3.362 -13.735 1.00 0.00 H new ATOM 260 N LEU A 19 13.074 -4.322 -7.120 1.00 0.00 N ATOM 261 CA LEU A 19 12.868 -5.038 -5.830 1.00 0.00 C ATOM 262 C LEU A 19 11.418 -5.515 -5.730 1.00 0.00 C ATOM 263 O LEU A 19 11.123 -6.505 -5.090 1.00 0.00 O ATOM 264 CB LEU A 19 13.174 -4.093 -4.667 1.00 0.00 C ATOM 265 CG LEU A 19 13.007 -4.844 -3.344 1.00 0.00 C ATOM 266 CD1 LEU A 19 14.314 -5.563 -2.997 1.00 0.00 C ATOM 267 CD2 LEU A 19 12.661 -3.851 -2.233 1.00 0.00 C ATOM 0 H LEU A 19 13.040 -3.304 -7.062 1.00 0.00 H new ATOM 0 HA LEU A 19 13.535 -5.899 -5.786 1.00 0.00 H new ATOM 0 HB2 LEU A 19 14.190 -3.709 -4.754 1.00 0.00 H new ATOM 0 HB3 LEU A 19 12.505 -3.233 -4.697 1.00 0.00 H new ATOM 0 HG LEU A 19 12.204 -5.575 -3.440 1.00 0.00 H new ATOM 0 HD11 LEU A 19 14.196 -6.098 -2.055 1.00 0.00 H new ATOM 0 HD12 LEU A 19 14.561 -6.271 -3.788 1.00 0.00 H new ATOM 0 HD13 LEU A 19 15.117 -4.832 -2.901 1.00 0.00 H new ATOM 0 HD21 LEU A 19 12.542 -4.386 -1.291 1.00 0.00 H new ATOM 0 HD22 LEU A 19 13.463 -3.119 -2.136 1.00 0.00 H new ATOM 0 HD23 LEU A 19 11.731 -3.339 -2.479 1.00 0.00 H new ATOM 279 N PHE A 20 10.507 -4.817 -6.354 1.00 0.00 N ATOM 280 CA PHE A 20 9.076 -5.230 -6.288 1.00 0.00 C ATOM 281 C PHE A 20 8.879 -6.538 -7.059 1.00 0.00 C ATOM 282 O PHE A 20 8.058 -7.360 -6.703 1.00 0.00 O ATOM 283 CB PHE A 20 8.200 -4.138 -6.903 1.00 0.00 C ATOM 284 CG PHE A 20 6.751 -4.556 -6.824 1.00 0.00 C ATOM 285 CD1 PHE A 20 6.189 -5.331 -7.846 1.00 0.00 C ATOM 286 CD2 PHE A 20 5.970 -4.171 -5.727 1.00 0.00 C ATOM 287 CE1 PHE A 20 4.847 -5.720 -7.771 1.00 0.00 C ATOM 288 CE2 PHE A 20 4.627 -4.560 -5.653 1.00 0.00 C ATOM 289 CZ PHE A 20 4.065 -5.335 -6.675 1.00 0.00 C ATOM 0 H PHE A 20 10.692 -3.979 -6.906 1.00 0.00 H new ATOM 0 HA PHE A 20 8.793 -5.380 -5.246 1.00 0.00 H new ATOM 0 HB2 PHE A 20 8.348 -3.196 -6.374 1.00 0.00 H new ATOM 0 HB3 PHE A 20 8.485 -3.969 -7.941 1.00 0.00 H new ATOM 0 HD1 PHE A 20 6.791 -5.628 -8.692 1.00 0.00 H new ATOM 0 HD2 PHE A 20 6.404 -3.574 -4.938 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.414 -6.318 -8.559 1.00 0.00 H new ATOM 0 HE2 PHE A 20 4.024 -4.262 -4.808 1.00 0.00 H new ATOM 0 HZ PHE A 20 3.029 -5.636 -6.618 1.00 0.00 H new ATOM 299 N LYS A 21 9.622 -6.738 -8.113 1.00 0.00 N ATOM 300 CA LYS A 21 9.470 -7.994 -8.902 1.00 0.00 C ATOM 301 C LYS A 21 9.935 -9.186 -8.064 1.00 0.00 C ATOM 302 O LYS A 21 9.283 -10.209 -8.007 1.00 0.00 O ATOM 303 CB LYS A 21 10.316 -7.906 -10.174 1.00 0.00 C ATOM 304 CG LYS A 21 10.131 -9.182 -10.999 1.00 0.00 C ATOM 305 CD LYS A 21 11.103 -9.172 -12.181 1.00 0.00 C ATOM 306 CE LYS A 21 10.794 -10.351 -13.105 1.00 0.00 C ATOM 307 NZ LYS A 21 10.085 -9.857 -14.320 1.00 0.00 N ATOM 0 H LYS A 21 10.326 -6.088 -8.462 1.00 0.00 H new ATOM 0 HA LYS A 21 8.422 -8.126 -9.171 1.00 0.00 H new ATOM 0 HB2 LYS A 21 10.021 -7.035 -10.760 1.00 0.00 H new ATOM 0 HB3 LYS A 21 11.367 -7.776 -9.916 1.00 0.00 H new ATOM 0 HG2 LYS A 21 10.308 -10.059 -10.376 1.00 0.00 H new ATOM 0 HG3 LYS A 21 9.104 -9.249 -11.359 1.00 0.00 H new ATOM 0 HD2 LYS A 21 11.016 -8.234 -12.729 1.00 0.00 H new ATOM 0 HD3 LYS A 21 12.130 -9.237 -11.822 1.00 0.00 H new ATOM 0 HE2 LYS A 21 11.717 -10.856 -13.390 1.00 0.00 H new ATOM 0 HE3 LYS A 21 10.178 -11.084 -12.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 9.874 -10.658 -14.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.197 -9.394 -14.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 10.688 -9.174 -14.820 1.00 0.00 H new ATOM 321 N ALA A 22 11.059 -9.062 -7.411 1.00 0.00 N ATOM 322 CA ALA A 22 11.563 -10.189 -6.578 1.00 0.00 C ATOM 323 C ALA A 22 10.848 -10.183 -5.225 1.00 0.00 C ATOM 324 O ALA A 22 10.724 -11.200 -4.573 1.00 0.00 O ATOM 325 CB ALA A 22 13.070 -10.029 -6.360 1.00 0.00 C ATOM 0 H ALA A 22 11.649 -8.230 -7.419 1.00 0.00 H new ATOM 0 HA ALA A 22 11.368 -11.133 -7.088 1.00 0.00 H new ATOM 0 HB1 ALA A 22 13.439 -10.854 -5.750 1.00 0.00 H new ATOM 0 HB2 ALA A 22 13.580 -10.034 -7.324 1.00 0.00 H new ATOM 0 HB3 ALA A 22 13.266 -9.085 -5.851 1.00 0.00 H new ATOM 331 N PHE A 23 10.375 -9.043 -4.799 1.00 0.00 N ATOM 332 CA PHE A 23 9.668 -8.972 -3.489 1.00 0.00 C ATOM 333 C PHE A 23 8.203 -9.372 -3.679 1.00 0.00 C ATOM 334 O PHE A 23 7.500 -9.660 -2.731 1.00 0.00 O ATOM 335 CB PHE A 23 9.740 -7.543 -2.950 1.00 0.00 C ATOM 336 CG PHE A 23 9.045 -7.474 -1.612 1.00 0.00 C ATOM 337 CD1 PHE A 23 7.662 -7.264 -1.552 1.00 0.00 C ATOM 338 CD2 PHE A 23 9.783 -7.619 -0.431 1.00 0.00 C ATOM 339 CE1 PHE A 23 7.018 -7.200 -0.311 1.00 0.00 C ATOM 340 CE2 PHE A 23 9.138 -7.554 0.810 1.00 0.00 C ATOM 341 CZ PHE A 23 7.755 -7.345 0.870 1.00 0.00 C ATOM 0 H PHE A 23 10.448 -8.158 -5.302 1.00 0.00 H new ATOM 0 HA PHE A 23 10.142 -9.652 -2.781 1.00 0.00 H new ATOM 0 HB2 PHE A 23 10.780 -7.234 -2.848 1.00 0.00 H new ATOM 0 HB3 PHE A 23 9.270 -6.854 -3.652 1.00 0.00 H new ATOM 0 HD1 PHE A 23 7.093 -7.151 -2.463 1.00 0.00 H new ATOM 0 HD2 PHE A 23 10.850 -7.781 -0.477 1.00 0.00 H new ATOM 0 HE1 PHE A 23 5.951 -7.039 -0.265 1.00 0.00 H new ATOM 0 HE2 PHE A 23 9.707 -7.665 1.721 1.00 0.00 H new ATOM 0 HZ PHE A 23 7.257 -7.296 1.827 1.00 0.00 H new ATOM 351 N VAL A 24 7.738 -9.391 -4.898 1.00 0.00 N ATOM 352 CA VAL A 24 6.320 -9.773 -5.149 1.00 0.00 C ATOM 353 C VAL A 24 6.279 -11.036 -6.009 1.00 0.00 C ATOM 354 O VAL A 24 5.876 -12.091 -5.562 1.00 0.00 O ATOM 355 CB VAL A 24 5.608 -8.632 -5.880 1.00 0.00 C ATOM 356 CG1 VAL A 24 4.169 -9.046 -6.193 1.00 0.00 C ATOM 357 CG2 VAL A 24 5.599 -7.386 -4.993 1.00 0.00 C ATOM 0 H VAL A 24 8.279 -9.158 -5.731 1.00 0.00 H new ATOM 0 HA VAL A 24 5.819 -9.964 -4.200 1.00 0.00 H new ATOM 0 HB VAL A 24 6.133 -8.412 -6.810 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.662 -8.234 -6.714 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.175 -9.934 -6.825 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.643 -9.266 -5.264 1.00 0.00 H new ATOM 0 HG21 VAL A 24 5.092 -6.573 -5.513 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.074 -7.605 -4.063 1.00 0.00 H new ATOM 0 HG23 VAL A 24 6.624 -7.091 -4.770 1.00 0.00 H new ATOM 367 N LEU A 25 6.694 -10.937 -7.243 1.00 0.00 N ATOM 368 CA LEU A 25 6.681 -12.135 -8.130 1.00 0.00 C ATOM 369 C LEU A 25 7.483 -13.261 -7.476 1.00 0.00 C ATOM 370 O LEU A 25 7.090 -14.410 -7.497 1.00 0.00 O ATOM 371 CB LEU A 25 7.308 -11.775 -9.478 1.00 0.00 C ATOM 372 CG LEU A 25 7.146 -12.950 -10.445 1.00 0.00 C ATOM 373 CD1 LEU A 25 5.668 -13.338 -10.532 1.00 0.00 C ATOM 374 CD2 LEU A 25 7.650 -12.542 -11.831 1.00 0.00 C ATOM 0 H LEU A 25 7.041 -10.080 -7.674 1.00 0.00 H new ATOM 0 HA LEU A 25 5.654 -12.465 -8.284 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.831 -10.885 -9.887 1.00 0.00 H new ATOM 0 HB3 LEU A 25 8.364 -11.539 -9.349 1.00 0.00 H new ATOM 0 HG LEU A 25 7.724 -13.801 -10.085 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.551 -14.175 -11.221 1.00 0.00 H new ATOM 0 HD12 LEU A 25 5.309 -13.628 -9.544 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.089 -12.488 -10.893 1.00 0.00 H new ATOM 0 HD21 LEU A 25 7.535 -13.378 -12.521 1.00 0.00 H new ATOM 0 HD22 LEU A 25 7.072 -11.691 -12.192 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.702 -12.265 -11.769 1.00 0.00 H new ATOM 386 N ASP A 26 8.606 -12.940 -6.892 1.00 0.00 N ATOM 387 CA ASP A 26 9.431 -13.992 -6.235 1.00 0.00 C ATOM 388 C ASP A 26 9.144 -13.999 -4.732 1.00 0.00 C ATOM 389 O ASP A 26 9.875 -14.577 -3.954 1.00 0.00 O ATOM 390 CB ASP A 26 10.915 -13.698 -6.468 1.00 0.00 C ATOM 391 CG ASP A 26 11.193 -13.631 -7.971 1.00 0.00 C ATOM 392 OD1 ASP A 26 10.345 -14.071 -8.730 1.00 0.00 O ATOM 393 OD2 ASP A 26 12.248 -13.141 -8.337 1.00 0.00 O ATOM 0 H ASP A 26 8.987 -11.995 -6.842 1.00 0.00 H new ATOM 0 HA ASP A 26 9.183 -14.965 -6.659 1.00 0.00 H new ATOM 0 HB2 ASP A 26 11.188 -12.755 -5.995 1.00 0.00 H new ATOM 0 HB3 ASP A 26 11.527 -14.474 -6.009 1.00 0.00 H new ATOM 398 N ALA A 27 8.083 -13.360 -4.320 1.00 0.00 N ATOM 399 CA ALA A 27 7.749 -13.329 -2.868 1.00 0.00 C ATOM 400 C ALA A 27 7.330 -14.729 -2.411 1.00 0.00 C ATOM 401 O ALA A 27 7.636 -15.152 -1.314 1.00 0.00 O ATOM 402 CB ALA A 27 6.597 -12.350 -2.632 1.00 0.00 C ATOM 0 H ALA A 27 7.434 -12.858 -4.926 1.00 0.00 H new ATOM 0 HA ALA A 27 8.622 -13.008 -2.300 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.351 -12.326 -1.570 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.894 -11.353 -2.958 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.724 -12.672 -3.199 1.00 0.00 H new ATOM 408 N ASP A 28 6.631 -15.450 -3.244 1.00 0.00 N ATOM 409 CA ASP A 28 6.191 -16.821 -2.859 1.00 0.00 C ATOM 410 C ASP A 28 7.416 -17.686 -2.559 1.00 0.00 C ATOM 411 O ASP A 28 7.425 -18.462 -1.623 1.00 0.00 O ATOM 412 CB ASP A 28 5.397 -17.442 -4.010 1.00 0.00 C ATOM 413 CG ASP A 28 4.085 -16.678 -4.196 1.00 0.00 C ATOM 414 OD1 ASP A 28 3.739 -15.912 -3.311 1.00 0.00 O ATOM 415 OD2 ASP A 28 3.450 -16.869 -5.220 1.00 0.00 O ATOM 0 H ASP A 28 6.345 -15.149 -4.176 1.00 0.00 H new ATOM 0 HA ASP A 28 5.562 -16.765 -1.971 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.982 -17.409 -4.929 1.00 0.00 H new ATOM 0 HB3 ASP A 28 5.192 -18.492 -3.800 1.00 0.00 H new ATOM 420 N ASN A 29 8.451 -17.562 -3.342 1.00 0.00 N ATOM 421 CA ASN A 29 9.674 -18.379 -3.097 1.00 0.00 C ATOM 422 C ASN A 29 10.661 -17.577 -2.249 1.00 0.00 C ATOM 423 O ASN A 29 11.412 -18.126 -1.468 1.00 0.00 O ATOM 424 CB ASN A 29 10.325 -18.737 -4.435 1.00 0.00 C ATOM 425 CG ASN A 29 9.326 -19.511 -5.297 1.00 0.00 C ATOM 426 OD1 ASN A 29 9.187 -19.246 -6.474 1.00 0.00 O ATOM 427 ND2 ASN A 29 8.618 -20.466 -4.756 1.00 0.00 N ATOM 0 H ASN A 29 8.504 -16.930 -4.141 1.00 0.00 H new ATOM 0 HA ASN A 29 9.401 -19.293 -2.570 1.00 0.00 H new ATOM 0 HB2 ASN A 29 10.642 -17.831 -4.951 1.00 0.00 H new ATOM 0 HB3 ASN A 29 11.219 -19.338 -4.268 1.00 0.00 H new ATOM 0 HD21 ASN A 29 7.949 -20.988 -5.322 1.00 0.00 H new ATOM 0 HD22 ASN A 29 8.734 -20.689 -3.768 1.00 0.00 H new ATOM 434 N LEU A 30 10.668 -16.281 -2.397 1.00 0.00 N ATOM 435 CA LEU A 30 11.609 -15.445 -1.599 1.00 0.00 C ATOM 436 C LEU A 30 11.228 -15.520 -0.118 1.00 0.00 C ATOM 437 O LEU A 30 12.076 -15.630 0.745 1.00 0.00 O ATOM 438 CB LEU A 30 11.530 -13.994 -2.074 1.00 0.00 C ATOM 439 CG LEU A 30 12.583 -13.159 -1.342 1.00 0.00 C ATOM 440 CD1 LEU A 30 13.979 -13.591 -1.793 1.00 0.00 C ATOM 441 CD2 LEU A 30 12.378 -11.678 -1.670 1.00 0.00 C ATOM 0 H LEU A 30 10.063 -15.765 -3.036 1.00 0.00 H new ATOM 0 HA LEU A 30 12.626 -15.815 -1.731 1.00 0.00 H new ATOM 0 HB2 LEU A 30 11.694 -13.943 -3.150 1.00 0.00 H new ATOM 0 HB3 LEU A 30 10.535 -13.592 -1.884 1.00 0.00 H new ATOM 0 HG LEU A 30 12.484 -13.311 -0.267 1.00 0.00 H new ATOM 0 HD11 LEU A 30 14.730 -12.997 -1.272 1.00 0.00 H new ATOM 0 HD12 LEU A 30 14.126 -14.646 -1.561 1.00 0.00 H new ATOM 0 HD13 LEU A 30 14.077 -13.439 -2.868 1.00 0.00 H new ATOM 0 HD21 LEU A 30 13.128 -11.083 -1.149 1.00 0.00 H new ATOM 0 HD22 LEU A 30 12.477 -11.526 -2.745 1.00 0.00 H new ATOM 0 HD23 LEU A 30 11.383 -11.369 -1.350 1.00 0.00 H new ATOM 453 N ILE A 31 9.959 -15.460 0.182 1.00 0.00 N ATOM 454 CA ILE A 31 9.530 -15.526 1.608 1.00 0.00 C ATOM 455 C ILE A 31 10.202 -16.724 2.288 1.00 0.00 C ATOM 456 O ILE A 31 10.908 -16.572 3.265 1.00 0.00 O ATOM 457 CB ILE A 31 8.004 -15.666 1.674 1.00 0.00 C ATOM 458 CG1 ILE A 31 7.359 -14.304 1.409 1.00 0.00 C ATOM 459 CG2 ILE A 31 7.586 -16.163 3.061 1.00 0.00 C ATOM 460 CD1 ILE A 31 6.056 -14.498 0.632 1.00 0.00 C ATOM 0 H ILE A 31 9.203 -15.368 -0.496 1.00 0.00 H new ATOM 0 HA ILE A 31 9.826 -14.613 2.126 1.00 0.00 H new ATOM 0 HB ILE A 31 7.676 -16.383 0.921 1.00 0.00 H new ATOM 0 HG12 ILE A 31 7.160 -13.795 2.352 1.00 0.00 H new ATOM 0 HG13 ILE A 31 8.042 -13.671 0.842 1.00 0.00 H new ATOM 0 HG21 ILE A 31 6.501 -16.260 3.101 1.00 0.00 H new ATOM 0 HG22 ILE A 31 8.045 -17.133 3.253 1.00 0.00 H new ATOM 0 HG23 ILE A 31 7.914 -15.450 3.817 1.00 0.00 H new ATOM 0 HD11 ILE A 31 5.597 -13.528 0.443 1.00 0.00 H new ATOM 0 HD12 ILE A 31 6.268 -14.990 -0.317 1.00 0.00 H new ATOM 0 HD13 ILE A 31 5.373 -15.115 1.215 1.00 0.00 H new ATOM 472 N PRO A 32 9.982 -17.937 1.756 1.00 0.00 N ATOM 473 CA PRO A 32 10.574 -19.162 2.312 1.00 0.00 C ATOM 474 C PRO A 32 12.091 -19.202 2.108 1.00 0.00 C ATOM 475 O PRO A 32 12.805 -19.888 2.813 1.00 0.00 O ATOM 476 CB PRO A 32 9.911 -20.278 1.504 1.00 0.00 C ATOM 477 CG PRO A 32 9.519 -19.625 0.222 1.00 0.00 C ATOM 478 CD PRO A 32 9.143 -18.215 0.577 1.00 0.00 C ATOM 0 HA PRO A 32 10.414 -19.242 3.387 1.00 0.00 H new ATOM 0 HB2 PRO A 32 10.598 -21.107 1.334 1.00 0.00 H new ATOM 0 HB3 PRO A 32 9.044 -20.684 2.025 1.00 0.00 H new ATOM 0 HG2 PRO A 32 10.342 -19.642 -0.493 1.00 0.00 H new ATOM 0 HG3 PRO A 32 8.683 -20.147 -0.243 1.00 0.00 H new ATOM 0 HD2 PRO A 32 9.352 -17.524 -0.239 1.00 0.00 H new ATOM 0 HD3 PRO A 32 8.081 -18.126 0.807 1.00 0.00 H new ATOM 486 N LYS A 33 12.588 -18.471 1.147 1.00 0.00 N ATOM 487 CA LYS A 33 14.057 -18.467 0.898 1.00 0.00 C ATOM 488 C LYS A 33 14.771 -17.781 2.064 1.00 0.00 C ATOM 489 O LYS A 33 15.802 -18.230 2.522 1.00 0.00 O ATOM 490 CB LYS A 33 14.353 -17.710 -0.398 1.00 0.00 C ATOM 491 CG LYS A 33 15.821 -17.907 -0.781 1.00 0.00 C ATOM 492 CD LYS A 33 16.012 -19.309 -1.363 1.00 0.00 C ATOM 493 CE LYS A 33 17.438 -19.450 -1.898 1.00 0.00 C ATOM 494 NZ LYS A 33 18.032 -20.723 -1.399 1.00 0.00 N ATOM 0 H LYS A 33 12.040 -17.877 0.524 1.00 0.00 H new ATOM 0 HA LYS A 33 14.412 -19.494 0.808 1.00 0.00 H new ATOM 0 HB2 LYS A 33 13.706 -18.070 -1.198 1.00 0.00 H new ATOM 0 HB3 LYS A 33 14.139 -16.649 -0.269 1.00 0.00 H new ATOM 0 HG2 LYS A 33 16.122 -17.155 -1.510 1.00 0.00 H new ATOM 0 HG3 LYS A 33 16.457 -17.775 0.094 1.00 0.00 H new ATOM 0 HD2 LYS A 33 15.824 -20.061 -0.597 1.00 0.00 H new ATOM 0 HD3 LYS A 33 15.293 -19.483 -2.164 1.00 0.00 H new ATOM 0 HE2 LYS A 33 17.431 -19.442 -2.988 1.00 0.00 H new ATOM 0 HE3 LYS A 33 18.044 -18.603 -1.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 19.002 -20.820 -1.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 18.051 -20.713 -0.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 17.458 -21.526 -1.727 1.00 0.00 H new ATOM 508 N ILE A 34 14.232 -16.695 2.546 1.00 0.00 N ATOM 509 CA ILE A 34 14.884 -15.982 3.680 1.00 0.00 C ATOM 510 C ILE A 34 14.944 -16.907 4.898 1.00 0.00 C ATOM 511 O ILE A 34 15.785 -16.756 5.762 1.00 0.00 O ATOM 512 CB ILE A 34 14.073 -14.732 4.031 1.00 0.00 C ATOM 513 CG1 ILE A 34 14.036 -13.793 2.825 1.00 0.00 C ATOM 514 CG2 ILE A 34 14.726 -14.016 5.216 1.00 0.00 C ATOM 515 CD1 ILE A 34 15.415 -13.161 2.628 1.00 0.00 C ATOM 0 H ILE A 34 13.370 -16.271 2.204 1.00 0.00 H new ATOM 0 HA ILE A 34 15.895 -15.692 3.393 1.00 0.00 H new ATOM 0 HB ILE A 34 13.056 -15.021 4.297 1.00 0.00 H new ATOM 0 HG12 ILE A 34 13.746 -14.344 1.930 1.00 0.00 H new ATOM 0 HG13 ILE A 34 13.287 -13.016 2.978 1.00 0.00 H new ATOM 0 HG21 ILE A 34 14.149 -13.126 5.466 1.00 0.00 H new ATOM 0 HG22 ILE A 34 14.752 -14.685 6.076 1.00 0.00 H new ATOM 0 HG23 ILE A 34 15.743 -13.726 4.951 1.00 0.00 H new ATOM 0 HD11 ILE A 34 15.389 -12.492 1.768 1.00 0.00 H new ATOM 0 HD12 ILE A 34 15.687 -12.596 3.520 1.00 0.00 H new ATOM 0 HD13 ILE A 34 16.153 -13.944 2.456 1.00 0.00 H new ATOM 527 N ALA A 35 14.060 -17.863 4.974 1.00 0.00 N ATOM 528 CA ALA A 35 14.070 -18.795 6.137 1.00 0.00 C ATOM 529 C ALA A 35 13.359 -20.094 5.754 1.00 0.00 C ATOM 530 O ALA A 35 12.241 -20.342 6.158 1.00 0.00 O ATOM 531 CB ALA A 35 13.344 -18.145 7.316 1.00 0.00 C ATOM 0 H ALA A 35 13.332 -18.039 4.282 1.00 0.00 H new ATOM 0 HA ALA A 35 15.100 -19.014 6.420 1.00 0.00 H new ATOM 0 HB1 ALA A 35 13.351 -18.826 8.167 1.00 0.00 H new ATOM 0 HB2 ALA A 35 13.849 -17.218 7.588 1.00 0.00 H new ATOM 0 HB3 ALA A 35 12.314 -17.927 7.034 1.00 0.00 H new ATOM 537 N PRO A 36 14.029 -20.940 4.956 1.00 0.00 N ATOM 538 CA PRO A 36 13.467 -22.222 4.511 1.00 0.00 C ATOM 539 C PRO A 36 13.357 -23.222 5.666 1.00 0.00 C ATOM 540 O PRO A 36 12.457 -24.037 5.709 1.00 0.00 O ATOM 541 CB PRO A 36 14.481 -22.720 3.482 1.00 0.00 C ATOM 542 CG PRO A 36 15.760 -22.056 3.864 1.00 0.00 C ATOM 543 CD PRO A 36 15.385 -20.714 4.426 1.00 0.00 C ATOM 0 HA PRO A 36 12.458 -22.112 4.114 1.00 0.00 H new ATOM 0 HB2 PRO A 36 14.574 -23.806 3.510 1.00 0.00 H new ATOM 0 HB3 PRO A 36 14.182 -22.452 2.469 1.00 0.00 H new ATOM 0 HG2 PRO A 36 16.301 -22.649 4.601 1.00 0.00 H new ATOM 0 HG3 PRO A 36 16.415 -21.947 3.000 1.00 0.00 H new ATOM 0 HD2 PRO A 36 16.076 -20.397 5.208 1.00 0.00 H new ATOM 0 HD3 PRO A 36 15.394 -19.939 3.659 1.00 0.00 H new ATOM 551 N GLN A 37 14.265 -23.167 6.601 1.00 0.00 N ATOM 552 CA GLN A 37 14.211 -24.113 7.750 1.00 0.00 C ATOM 553 C GLN A 37 13.044 -23.736 8.664 1.00 0.00 C ATOM 554 O GLN A 37 12.550 -24.546 9.423 1.00 0.00 O ATOM 555 CB GLN A 37 15.521 -24.036 8.538 1.00 0.00 C ATOM 556 CG GLN A 37 16.674 -24.521 7.657 1.00 0.00 C ATOM 557 CD GLN A 37 17.992 -24.386 8.422 1.00 0.00 C ATOM 558 OE1 GLN A 37 18.098 -23.593 9.336 1.00 0.00 O ATOM 559 NE2 GLN A 37 19.007 -25.133 8.085 1.00 0.00 N ATOM 0 H GLN A 37 15.043 -22.507 6.619 1.00 0.00 H new ATOM 0 HA GLN A 37 14.070 -25.128 7.379 1.00 0.00 H new ATOM 0 HB2 GLN A 37 15.703 -23.012 8.863 1.00 0.00 H new ATOM 0 HB3 GLN A 37 15.454 -24.648 9.437 1.00 0.00 H new ATOM 0 HG2 GLN A 37 16.513 -25.560 7.369 1.00 0.00 H new ATOM 0 HG3 GLN A 37 16.714 -23.937 6.737 1.00 0.00 H new ATOM 0 HE21 GLN A 37 18.918 -25.799 7.317 1.00 0.00 H new ATOM 0 HE22 GLN A 37 19.890 -25.051 8.589 1.00 0.00 H new ATOM 568 N ALA A 38 12.596 -22.513 8.596 1.00 0.00 N ATOM 569 CA ALA A 38 11.459 -22.087 9.459 1.00 0.00 C ATOM 570 C ALA A 38 10.149 -22.614 8.871 1.00 0.00 C ATOM 571 O ALA A 38 9.283 -23.087 9.581 1.00 0.00 O ATOM 572 CB ALA A 38 11.411 -20.559 9.523 1.00 0.00 C ATOM 0 H ALA A 38 12.968 -21.790 7.980 1.00 0.00 H new ATOM 0 HA ALA A 38 11.595 -22.488 10.463 1.00 0.00 H new ATOM 0 HB1 ALA A 38 10.579 -20.247 10.154 1.00 0.00 H new ATOM 0 HB2 ALA A 38 12.345 -20.183 9.941 1.00 0.00 H new ATOM 0 HB3 ALA A 38 11.275 -20.157 8.519 1.00 0.00 H new ATOM 578 N VAL A 39 9.998 -22.539 7.576 1.00 0.00 N ATOM 579 CA VAL A 39 8.746 -23.039 6.943 1.00 0.00 C ATOM 580 C VAL A 39 9.099 -24.031 5.832 1.00 0.00 C ATOM 581 O VAL A 39 10.123 -23.916 5.187 1.00 0.00 O ATOM 582 CB VAL A 39 7.970 -21.862 6.347 1.00 0.00 C ATOM 583 CG1 VAL A 39 7.685 -20.832 7.442 1.00 0.00 C ATOM 584 CG2 VAL A 39 8.801 -21.212 5.239 1.00 0.00 C ATOM 0 H VAL A 39 10.687 -22.153 6.931 1.00 0.00 H new ATOM 0 HA VAL A 39 8.132 -23.536 7.694 1.00 0.00 H new ATOM 0 HB VAL A 39 7.028 -22.221 5.932 1.00 0.00 H new ATOM 0 HG11 VAL A 39 7.132 -19.994 7.018 1.00 0.00 H new ATOM 0 HG12 VAL A 39 7.093 -21.295 8.232 1.00 0.00 H new ATOM 0 HG13 VAL A 39 8.626 -20.473 7.858 1.00 0.00 H new ATOM 0 HG21 VAL A 39 8.249 -20.374 4.814 1.00 0.00 H new ATOM 0 HG22 VAL A 39 9.743 -20.853 5.654 1.00 0.00 H new ATOM 0 HG23 VAL A 39 9.004 -21.945 4.459 1.00 0.00 H new ATOM 594 N LYS A 40 8.262 -25.004 5.604 1.00 0.00 N ATOM 595 CA LYS A 40 8.552 -26.002 4.535 1.00 0.00 C ATOM 596 C LYS A 40 8.360 -25.352 3.164 1.00 0.00 C ATOM 597 O LYS A 40 9.223 -25.413 2.311 1.00 0.00 O ATOM 598 CB LYS A 40 7.597 -27.189 4.673 1.00 0.00 C ATOM 599 CG LYS A 40 7.915 -27.956 5.957 1.00 0.00 C ATOM 600 CD LYS A 40 7.307 -29.357 5.876 1.00 0.00 C ATOM 601 CE LYS A 40 5.799 -29.273 6.123 1.00 0.00 C ATOM 602 NZ LYS A 40 5.413 -30.253 7.177 1.00 0.00 N ATOM 0 H LYS A 40 7.389 -25.152 6.111 1.00 0.00 H new ATOM 0 HA LYS A 40 9.581 -26.349 4.632 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.565 -26.838 4.693 1.00 0.00 H new ATOM 0 HB3 LYS A 40 7.693 -27.848 3.810 1.00 0.00 H new ATOM 0 HG2 LYS A 40 8.994 -28.023 6.096 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.515 -27.424 6.820 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.502 -29.794 4.897 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.772 -30.010 6.615 1.00 0.00 H new ATOM 0 HE2 LYS A 40 5.526 -28.264 6.432 1.00 0.00 H new ATOM 0 HE3 LYS A 40 5.256 -29.482 5.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 4.388 -30.196 7.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 5.660 -31.214 6.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 5.921 -30.034 8.058 1.00 0.00 H new ATOM 616 N CYS A 41 7.233 -24.732 2.944 1.00 0.00 N ATOM 617 CA CYS A 41 6.987 -24.081 1.627 1.00 0.00 C ATOM 618 C CYS A 41 5.635 -23.366 1.657 1.00 0.00 C ATOM 619 O CYS A 41 4.629 -23.935 2.033 1.00 0.00 O ATOM 620 CB CYS A 41 6.977 -25.145 0.527 1.00 0.00 C ATOM 621 SG CYS A 41 8.216 -24.729 -0.725 1.00 0.00 S ATOM 0 H CYS A 41 6.473 -24.648 3.619 1.00 0.00 H new ATOM 0 HA CYS A 41 7.777 -23.357 1.426 1.00 0.00 H new ATOM 0 HB2 CYS A 41 7.190 -26.126 0.953 1.00 0.00 H new ATOM 0 HB3 CYS A 41 5.989 -25.203 0.071 1.00 0.00 H new ATOM 0 HG CYS A 41 8.210 -25.633 -1.659 1.00 0.00 H new ATOM 627 N ALA A 42 5.602 -22.122 1.262 1.00 0.00 N ATOM 628 CA ALA A 42 4.315 -21.372 1.268 1.00 0.00 C ATOM 629 C ALA A 42 3.509 -21.737 0.020 1.00 0.00 C ATOM 630 O ALA A 42 3.979 -21.610 -1.094 1.00 0.00 O ATOM 631 CB ALA A 42 4.600 -19.869 1.271 1.00 0.00 C ATOM 0 H ALA A 42 6.411 -21.593 0.936 1.00 0.00 H new ATOM 0 HA ALA A 42 3.745 -21.634 2.159 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.658 -19.320 1.275 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.175 -19.610 2.160 1.00 0.00 H new ATOM 0 HB3 ALA A 42 5.170 -19.605 0.380 1.00 0.00 H new ATOM 637 N GLU A 43 2.298 -22.191 0.195 1.00 0.00 N ATOM 638 CA GLU A 43 1.465 -22.565 -0.982 1.00 0.00 C ATOM 639 C GLU A 43 0.223 -21.672 -1.035 1.00 0.00 C ATOM 640 O GLU A 43 -0.309 -21.273 -0.018 1.00 0.00 O ATOM 641 CB GLU A 43 1.036 -24.028 -0.858 1.00 0.00 C ATOM 642 CG GLU A 43 2.273 -24.927 -0.884 1.00 0.00 C ATOM 643 CD GLU A 43 1.844 -26.391 -0.762 1.00 0.00 C ATOM 644 OE1 GLU A 43 0.663 -26.626 -0.569 1.00 0.00 O ATOM 645 OE2 GLU A 43 2.703 -27.250 -0.863 1.00 0.00 O ATOM 0 H GLU A 43 1.850 -22.319 1.102 1.00 0.00 H new ATOM 0 HA GLU A 43 2.046 -22.432 -1.895 1.00 0.00 H new ATOM 0 HB2 GLU A 43 0.484 -24.179 0.069 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.365 -24.292 -1.675 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.826 -24.775 -1.811 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.944 -24.664 -0.066 1.00 0.00 H new ATOM 652 N ILE A 44 -0.242 -21.354 -2.212 1.00 0.00 N ATOM 653 CA ILE A 44 -1.450 -20.487 -2.327 1.00 0.00 C ATOM 654 C ILE A 44 -2.659 -21.345 -2.703 1.00 0.00 C ATOM 655 O ILE A 44 -2.635 -22.082 -3.668 1.00 0.00 O ATOM 656 CB ILE A 44 -1.217 -19.430 -3.407 1.00 0.00 C ATOM 657 CG1 ILE A 44 0.059 -18.646 -3.092 1.00 0.00 C ATOM 658 CG2 ILE A 44 -2.407 -18.468 -3.446 1.00 0.00 C ATOM 659 CD1 ILE A 44 0.350 -17.664 -4.228 1.00 0.00 C ATOM 0 H ILE A 44 0.162 -21.656 -3.099 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.637 -19.995 -1.373 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.112 -19.921 -4.375 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -0.056 -18.107 -2.152 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.897 -19.331 -2.966 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -2.241 -17.715 -4.216 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -3.317 -19.024 -3.673 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -2.512 -17.980 -2.477 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.259 -17.106 -4.003 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.483 -18.214 -5.159 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.485 -16.971 -4.333 1.00 0.00 H new ATOM 671 N LEU A 45 -3.720 -21.252 -1.948 1.00 0.00 N ATOM 672 CA LEU A 45 -4.932 -22.061 -2.262 1.00 0.00 C ATOM 673 C LEU A 45 -5.597 -21.510 -3.525 1.00 0.00 C ATOM 674 O LEU A 45 -6.041 -22.252 -4.379 1.00 0.00 O ATOM 675 CB LEU A 45 -5.916 -21.984 -1.094 1.00 0.00 C ATOM 676 CG LEU A 45 -5.480 -22.953 0.007 1.00 0.00 C ATOM 677 CD1 LEU A 45 -5.669 -24.393 -0.477 1.00 0.00 C ATOM 678 CD2 LEU A 45 -4.006 -22.716 0.341 1.00 0.00 C ATOM 0 H LEU A 45 -3.800 -20.651 -1.128 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.643 -23.099 -2.424 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.954 -20.967 -0.704 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.921 -22.233 -1.435 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.085 -22.787 0.898 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.359 -25.084 0.307 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.719 -24.562 -0.715 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.064 -24.560 -1.368 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.695 -23.406 1.125 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.400 -22.882 -0.550 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.871 -21.691 0.686 1.00 0.00 H new ATOM 690 N GLU A 46 -5.669 -20.214 -3.650 1.00 0.00 N ATOM 691 CA GLU A 46 -6.306 -19.615 -4.857 1.00 0.00 C ATOM 692 C GLU A 46 -5.824 -18.172 -5.025 1.00 0.00 C ATOM 693 O GLU A 46 -5.497 -17.501 -4.067 1.00 0.00 O ATOM 694 CB GLU A 46 -7.827 -19.627 -4.689 1.00 0.00 C ATOM 695 CG GLU A 46 -8.317 -21.070 -4.565 1.00 0.00 C ATOM 696 CD GLU A 46 -9.846 -21.095 -4.618 1.00 0.00 C ATOM 697 OE1 GLU A 46 -10.439 -20.032 -4.542 1.00 0.00 O ATOM 698 OE2 GLU A 46 -10.398 -22.178 -4.733 1.00 0.00 O ATOM 0 H GLU A 46 -5.314 -19.543 -2.968 1.00 0.00 H new ATOM 0 HA GLU A 46 -6.032 -20.195 -5.738 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.110 -19.059 -3.803 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.301 -19.143 -5.543 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.904 -21.676 -5.372 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -7.968 -21.505 -3.629 1.00 0.00 H new ATOM 705 N GLY A 47 -5.781 -17.689 -6.237 1.00 0.00 N ATOM 706 CA GLY A 47 -5.321 -16.289 -6.464 1.00 0.00 C ATOM 707 C GLY A 47 -3.931 -16.305 -7.105 1.00 0.00 C ATOM 708 O GLY A 47 -3.651 -15.558 -8.021 1.00 0.00 O ATOM 0 H GLY A 47 -6.044 -18.202 -7.078 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.025 -15.764 -7.110 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.291 -15.747 -5.519 1.00 0.00 H new ATOM 712 N ASP A 48 -3.060 -17.152 -6.629 1.00 0.00 N ATOM 713 CA ASP A 48 -1.689 -17.213 -7.210 1.00 0.00 C ATOM 714 C ASP A 48 -0.968 -15.887 -6.962 1.00 0.00 C ATOM 715 O ASP A 48 -0.256 -15.388 -7.811 1.00 0.00 O ATOM 716 CB ASP A 48 -1.785 -17.468 -8.716 1.00 0.00 C ATOM 717 CG ASP A 48 -0.399 -17.823 -9.261 1.00 0.00 C ATOM 718 OD1 ASP A 48 0.537 -17.834 -8.480 1.00 0.00 O ATOM 719 OD2 ASP A 48 -0.299 -18.077 -10.450 1.00 0.00 O ATOM 0 H ASP A 48 -3.238 -17.803 -5.864 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.131 -18.022 -6.738 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.485 -18.280 -8.915 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.171 -16.583 -9.222 1.00 0.00 H new ATOM 724 N GLY A 49 -1.145 -15.312 -5.805 1.00 0.00 N ATOM 725 CA GLY A 49 -0.468 -14.018 -5.504 1.00 0.00 C ATOM 726 C GLY A 49 -1.292 -12.865 -6.081 1.00 0.00 C ATOM 727 O GLY A 49 -0.756 -11.890 -6.568 1.00 0.00 O ATOM 0 H GLY A 49 -1.729 -15.681 -5.055 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.356 -13.896 -4.427 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.535 -14.012 -5.931 1.00 0.00 H new ATOM 731 N GLY A 50 -2.592 -12.969 -6.031 1.00 0.00 N ATOM 732 CA GLY A 50 -3.447 -11.878 -6.579 1.00 0.00 C ATOM 733 C GLY A 50 -4.329 -11.314 -5.463 1.00 0.00 C ATOM 734 O GLY A 50 -4.105 -11.566 -4.296 1.00 0.00 O ATOM 0 H GLY A 50 -3.098 -13.761 -5.635 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.824 -11.089 -6.999 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.067 -12.260 -7.390 1.00 0.00 H new ATOM 738 N PRO A 51 -5.354 -10.534 -5.837 1.00 0.00 N ATOM 739 CA PRO A 51 -6.280 -9.926 -4.873 1.00 0.00 C ATOM 740 C PRO A 51 -7.183 -10.974 -4.217 1.00 0.00 C ATOM 741 O PRO A 51 -7.756 -11.817 -4.878 1.00 0.00 O ATOM 742 CB PRO A 51 -7.119 -8.979 -5.731 1.00 0.00 C ATOM 743 CG PRO A 51 -7.048 -9.555 -7.106 1.00 0.00 C ATOM 744 CD PRO A 51 -5.689 -10.184 -7.228 1.00 0.00 C ATOM 0 HA PRO A 51 -5.755 -9.430 -4.057 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -8.148 -8.928 -5.375 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -6.722 -7.964 -5.705 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -7.834 -10.294 -7.259 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -7.187 -8.780 -7.860 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -5.709 -11.064 -7.871 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -4.962 -9.493 -7.656 1.00 0.00 H new ATOM 752 N GLY A 52 -7.313 -10.930 -2.918 1.00 0.00 N ATOM 753 CA GLY A 52 -8.175 -11.925 -2.222 1.00 0.00 C ATOM 754 C GLY A 52 -7.569 -13.321 -2.382 1.00 0.00 C ATOM 755 O GLY A 52 -8.267 -14.316 -2.379 1.00 0.00 O ATOM 0 H GLY A 52 -6.859 -10.248 -2.310 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.261 -11.672 -1.165 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -9.182 -11.904 -2.637 1.00 0.00 H new ATOM 759 N THR A 53 -6.274 -13.401 -2.523 1.00 0.00 N ATOM 760 CA THR A 53 -5.622 -14.730 -2.684 1.00 0.00 C ATOM 761 C THR A 53 -5.411 -15.364 -1.308 1.00 0.00 C ATOM 762 O THR A 53 -5.126 -14.689 -0.339 1.00 0.00 O ATOM 763 CB THR A 53 -4.268 -14.552 -3.376 1.00 0.00 C ATOM 764 OG1 THR A 53 -4.470 -14.016 -4.676 1.00 0.00 O ATOM 765 CG2 THR A 53 -3.564 -15.906 -3.484 1.00 0.00 C ATOM 0 H THR A 53 -5.640 -12.602 -2.534 1.00 0.00 H new ATOM 0 HA THR A 53 -6.258 -15.377 -3.289 1.00 0.00 H new ATOM 0 HB THR A 53 -3.649 -13.870 -2.793 1.00 0.00 H new ATOM 0 HG1 THR A 53 -5.418 -13.796 -4.796 1.00 0.00 H new ATOM 0 HG21 THR A 53 -2.600 -15.777 -3.977 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.409 -16.316 -2.486 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.180 -16.591 -4.066 1.00 0.00 H new ATOM 773 N ILE A 54 -5.548 -16.659 -1.214 1.00 0.00 N ATOM 774 CA ILE A 54 -5.353 -17.335 0.099 1.00 0.00 C ATOM 775 C ILE A 54 -4.008 -18.062 0.103 1.00 0.00 C ATOM 776 O ILE A 54 -3.720 -18.860 -0.768 1.00 0.00 O ATOM 777 CB ILE A 54 -6.480 -18.345 0.326 1.00 0.00 C ATOM 778 CG1 ILE A 54 -7.832 -17.642 0.195 1.00 0.00 C ATOM 779 CG2 ILE A 54 -6.352 -18.947 1.726 1.00 0.00 C ATOM 780 CD1 ILE A 54 -8.957 -18.669 0.339 1.00 0.00 C ATOM 0 H ILE A 54 -5.786 -17.277 -1.990 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.366 -16.591 0.896 1.00 0.00 H new ATOM 0 HB ILE A 54 -6.410 -19.138 -0.418 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -7.929 -16.871 0.960 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -7.902 -17.143 -0.771 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.155 -19.666 1.888 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.390 -19.450 1.819 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.420 -18.154 2.471 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -9.921 -18.168 0.246 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -8.863 -19.424 -0.442 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -8.890 -19.148 1.316 1.00 0.00 H new ATOM 792 N LYS A 55 -3.180 -17.794 1.075 1.00 0.00 N ATOM 793 CA LYS A 55 -1.853 -18.470 1.131 1.00 0.00 C ATOM 794 C LYS A 55 -1.784 -19.361 2.372 1.00 0.00 C ATOM 795 O LYS A 55 -2.441 -19.115 3.364 1.00 0.00 O ATOM 796 CB LYS A 55 -0.745 -17.416 1.198 1.00 0.00 C ATOM 797 CG LYS A 55 -1.011 -16.331 0.153 1.00 0.00 C ATOM 798 CD LYS A 55 0.087 -15.268 0.232 1.00 0.00 C ATOM 799 CE LYS A 55 1.408 -15.865 -0.257 1.00 0.00 C ATOM 800 NZ LYS A 55 2.495 -15.512 0.700 1.00 0.00 N ATOM 0 H LYS A 55 -3.365 -17.136 1.833 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.720 -19.081 0.238 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.707 -16.975 2.194 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.225 -17.880 1.018 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.036 -16.770 -0.844 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.986 -15.876 0.326 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -0.182 -14.405 -0.377 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.193 -14.914 1.257 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.321 -16.948 -0.342 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.646 -15.485 -1.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.394 -15.917 0.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.583 -14.477 0.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.268 -15.895 1.640 1.00 0.00 H new ATOM 814 N LYS A 56 -0.991 -20.397 2.324 1.00 0.00 N ATOM 815 CA LYS A 56 -0.877 -21.305 3.500 1.00 0.00 C ATOM 816 C LYS A 56 0.597 -21.635 3.744 1.00 0.00 C ATOM 817 O LYS A 56 1.290 -22.109 2.866 1.00 0.00 O ATOM 818 CB LYS A 56 -1.651 -22.595 3.224 1.00 0.00 C ATOM 819 CG LYS A 56 -1.614 -23.488 4.467 1.00 0.00 C ATOM 820 CD LYS A 56 -2.263 -24.836 4.146 1.00 0.00 C ATOM 821 CE LYS A 56 -2.405 -25.652 5.432 1.00 0.00 C ATOM 822 NZ LYS A 56 -1.224 -26.548 5.584 1.00 0.00 N ATOM 0 H LYS A 56 -0.417 -20.654 1.521 1.00 0.00 H new ATOM 0 HA LYS A 56 -1.291 -20.816 4.381 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -2.683 -22.363 2.960 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -1.214 -23.119 2.374 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -0.584 -23.636 4.791 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -2.141 -23.006 5.290 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -3.241 -24.682 3.691 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -1.657 -25.381 3.422 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -2.483 -24.986 6.291 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -3.321 -26.242 5.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -1.320 -27.103 6.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -1.170 -27.192 4.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -0.357 -25.975 5.631 1.00 0.00 H new ATOM 836 N ILE A 57 1.083 -21.388 4.930 1.00 0.00 N ATOM 837 CA ILE A 57 2.513 -21.686 5.225 1.00 0.00 C ATOM 838 C ILE A 57 2.599 -22.823 6.246 1.00 0.00 C ATOM 839 O ILE A 57 1.935 -22.808 7.263 1.00 0.00 O ATOM 840 CB ILE A 57 3.188 -20.437 5.795 1.00 0.00 C ATOM 841 CG1 ILE A 57 2.894 -19.238 4.893 1.00 0.00 C ATOM 842 CG2 ILE A 57 4.700 -20.661 5.867 1.00 0.00 C ATOM 843 CD1 ILE A 57 2.989 -17.948 5.711 1.00 0.00 C ATOM 0 H ILE A 57 0.552 -20.993 5.706 1.00 0.00 H new ATOM 0 HA ILE A 57 3.018 -21.985 4.306 1.00 0.00 H new ATOM 0 HB ILE A 57 2.801 -20.242 6.795 1.00 0.00 H new ATOM 0 HG12 ILE A 57 3.603 -19.209 4.066 1.00 0.00 H new ATOM 0 HG13 ILE A 57 1.899 -19.332 4.457 1.00 0.00 H new ATOM 0 HG21 ILE A 57 5.181 -19.771 6.273 1.00 0.00 H new ATOM 0 HG22 ILE A 57 4.911 -21.514 6.512 1.00 0.00 H new ATOM 0 HG23 ILE A 57 5.087 -20.858 4.867 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.779 -17.093 5.068 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.263 -17.978 6.523 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.993 -17.853 6.125 1.00 0.00 H new ATOM 855 N THR A 58 3.415 -23.807 5.984 1.00 0.00 N ATOM 856 CA THR A 58 3.547 -24.943 6.940 1.00 0.00 C ATOM 857 C THR A 58 4.915 -24.878 7.619 1.00 0.00 C ATOM 858 O THR A 58 5.943 -24.922 6.972 1.00 0.00 O ATOM 859 CB THR A 58 3.415 -26.265 6.181 1.00 0.00 C ATOM 860 OG1 THR A 58 2.175 -26.293 5.490 1.00 0.00 O ATOM 861 CG2 THR A 58 3.477 -27.431 7.170 1.00 0.00 C ATOM 0 H THR A 58 3.996 -23.874 5.149 1.00 0.00 H new ATOM 0 HA THR A 58 2.763 -24.878 7.695 1.00 0.00 H new ATOM 0 HB THR A 58 4.231 -26.355 5.464 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.091 -27.139 5.002 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.383 -28.372 6.629 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.430 -27.410 7.698 1.00 0.00 H new ATOM 0 HG23 THR A 58 2.662 -27.342 7.888 1.00 0.00 H new ATOM 869 N PHE A 59 4.939 -24.773 8.919 1.00 0.00 N ATOM 870 CA PHE A 59 6.243 -24.704 9.638 1.00 0.00 C ATOM 871 C PHE A 59 6.672 -26.111 10.056 1.00 0.00 C ATOM 872 O PHE A 59 5.882 -26.891 10.553 1.00 0.00 O ATOM 873 CB PHE A 59 6.092 -23.826 10.883 1.00 0.00 C ATOM 874 CG PHE A 59 5.809 -22.404 10.466 1.00 0.00 C ATOM 875 CD1 PHE A 59 4.498 -22.007 10.177 1.00 0.00 C ATOM 876 CD2 PHE A 59 6.857 -21.480 10.371 1.00 0.00 C ATOM 877 CE1 PHE A 59 4.235 -20.686 9.791 1.00 0.00 C ATOM 878 CE2 PHE A 59 6.594 -20.160 9.984 1.00 0.00 C ATOM 879 CZ PHE A 59 5.283 -19.764 9.694 1.00 0.00 C ATOM 0 H PHE A 59 4.112 -24.732 9.515 1.00 0.00 H new ATOM 0 HA PHE A 59 6.998 -24.276 8.979 1.00 0.00 H new ATOM 0 HB2 PHE A 59 5.282 -24.201 11.509 1.00 0.00 H new ATOM 0 HB3 PHE A 59 7.002 -23.866 11.482 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.689 -22.719 10.252 1.00 0.00 H new ATOM 0 HD2 PHE A 59 7.868 -21.785 10.596 1.00 0.00 H new ATOM 0 HE1 PHE A 59 3.224 -20.380 9.568 1.00 0.00 H new ATOM 0 HE2 PHE A 59 7.402 -19.448 9.909 1.00 0.00 H new ATOM 0 HZ PHE A 59 5.080 -18.746 9.395 1.00 0.00 H new ATOM 974 N TYR A 67 0.868 -24.170 11.526 1.00 0.00 N ATOM 975 CA TYR A 67 0.905 -23.529 10.181 1.00 0.00 C ATOM 976 C TYR A 67 0.045 -22.264 10.198 1.00 0.00 C ATOM 977 O TYR A 67 -0.923 -22.170 10.925 1.00 0.00 O ATOM 978 CB TYR A 67 0.355 -24.503 9.137 1.00 0.00 C ATOM 979 CG TYR A 67 -1.127 -24.688 9.354 1.00 0.00 C ATOM 980 CD1 TYR A 67 -1.587 -25.664 10.246 1.00 0.00 C ATOM 981 CD2 TYR A 67 -2.041 -23.884 8.664 1.00 0.00 C ATOM 982 CE1 TYR A 67 -2.962 -25.835 10.448 1.00 0.00 C ATOM 983 CE2 TYR A 67 -3.417 -24.054 8.866 1.00 0.00 C ATOM 984 CZ TYR A 67 -3.877 -25.031 9.758 1.00 0.00 C ATOM 985 OH TYR A 67 -5.232 -25.199 9.958 1.00 0.00 O ATOM 0 HA TYR A 67 1.933 -23.269 9.930 1.00 0.00 H new ATOM 0 HB2 TYR A 67 0.542 -24.121 8.133 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.867 -25.462 9.213 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -0.882 -26.285 10.778 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.686 -23.132 7.975 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -3.317 -26.588 11.137 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -4.122 -23.432 8.334 1.00 0.00 H new ATOM 0 HH TYR A 67 -5.726 -24.560 9.403 1.00 0.00 H new ATOM 995 N VAL A 68 0.389 -21.290 9.401 1.00 0.00 N ATOM 996 CA VAL A 68 -0.411 -20.033 9.372 1.00 0.00 C ATOM 997 C VAL A 68 -0.825 -19.728 7.929 1.00 0.00 C ATOM 998 O VAL A 68 -0.110 -20.023 6.993 1.00 0.00 O ATOM 999 CB VAL A 68 0.429 -18.877 9.925 1.00 0.00 C ATOM 1000 CG1 VAL A 68 1.131 -19.326 11.206 1.00 0.00 C ATOM 1001 CG2 VAL A 68 1.477 -18.460 8.890 1.00 0.00 C ATOM 0 H VAL A 68 1.189 -21.310 8.769 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.303 -20.154 9.987 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.222 -18.030 10.142 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.729 -18.504 11.600 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.386 -19.620 11.945 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.780 -20.174 10.987 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.073 -17.638 9.286 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.128 -19.306 8.670 1.00 0.00 H new ATOM 0 HG23 VAL A 68 0.978 -18.139 7.976 1.00 0.00 H new ATOM 1011 N LYS A 69 -1.975 -19.141 7.742 1.00 0.00 N ATOM 1012 CA LYS A 69 -2.431 -18.822 6.360 1.00 0.00 C ATOM 1013 C LYS A 69 -2.387 -17.308 6.143 1.00 0.00 C ATOM 1014 O LYS A 69 -2.606 -16.534 7.054 1.00 0.00 O ATOM 1015 CB LYS A 69 -3.864 -19.322 6.166 1.00 0.00 C ATOM 1016 CG LYS A 69 -3.886 -20.850 6.252 1.00 0.00 C ATOM 1017 CD LYS A 69 -5.298 -21.358 5.948 1.00 0.00 C ATOM 1018 CE LYS A 69 -5.361 -22.866 6.196 1.00 0.00 C ATOM 1019 NZ LYS A 69 -6.422 -23.466 5.337 1.00 0.00 N ATOM 0 H LYS A 69 -2.618 -18.869 8.486 1.00 0.00 H new ATOM 0 HA LYS A 69 -1.774 -19.312 5.641 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.516 -18.895 6.928 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -4.247 -18.996 5.199 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -3.175 -21.275 5.544 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -3.578 -21.173 7.246 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -6.024 -20.844 6.578 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -5.561 -21.137 4.913 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -4.397 -23.323 5.974 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -5.573 -23.064 7.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -6.466 -24.491 5.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -7.341 -23.038 5.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -6.201 -23.288 4.337 1.00 0.00 H new ATOM 1033 N HIS A 70 -2.106 -16.879 4.944 1.00 0.00 N ATOM 1034 CA HIS A 70 -2.049 -15.416 4.668 1.00 0.00 C ATOM 1035 C HIS A 70 -2.989 -15.082 3.507 1.00 0.00 C ATOM 1036 O HIS A 70 -3.082 -15.812 2.541 1.00 0.00 O ATOM 1037 CB HIS A 70 -0.619 -15.022 4.295 1.00 0.00 C ATOM 1038 CG HIS A 70 0.259 -15.114 5.513 1.00 0.00 C ATOM 1039 ND1 HIS A 70 0.730 -13.989 6.171 1.00 0.00 N ATOM 1040 CD2 HIS A 70 0.761 -16.190 6.203 1.00 0.00 C ATOM 1041 CE1 HIS A 70 1.479 -14.409 7.207 1.00 0.00 C ATOM 1042 NE2 HIS A 70 1.531 -15.742 7.273 1.00 0.00 N ATOM 0 H HIS A 70 -1.913 -17.479 4.142 1.00 0.00 H new ATOM 0 HA HIS A 70 -2.356 -14.865 5.557 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -0.242 -15.679 3.511 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -0.602 -14.008 3.897 1.00 0.00 H new ATOM 0 HD1 HIS A 70 0.543 -13.019 5.916 1.00 0.00 H new ATOM 0 HD2 HIS A 70 0.585 -17.226 5.954 1.00 0.00 H new ATOM 0 HE1 HIS A 70 1.978 -13.748 7.901 1.00 0.00 H new ATOM 1050 N LYS A 71 -3.686 -13.981 3.594 1.00 0.00 N ATOM 1051 CA LYS A 71 -4.619 -13.604 2.494 1.00 0.00 C ATOM 1052 C LYS A 71 -4.131 -12.315 1.830 1.00 0.00 C ATOM 1053 O LYS A 71 -3.662 -11.406 2.485 1.00 0.00 O ATOM 1054 CB LYS A 71 -6.020 -13.383 3.067 1.00 0.00 C ATOM 1055 CG LYS A 71 -7.012 -13.177 1.920 1.00 0.00 C ATOM 1056 CD LYS A 71 -8.378 -12.792 2.490 1.00 0.00 C ATOM 1057 CE LYS A 71 -9.426 -12.843 1.375 1.00 0.00 C ATOM 1058 NZ LYS A 71 -10.294 -11.634 1.454 1.00 0.00 N ATOM 0 H LYS A 71 -3.650 -13.328 4.377 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.651 -14.404 1.755 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -6.318 -14.241 3.670 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -6.023 -12.514 3.725 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -6.652 -12.396 1.250 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -7.096 -14.089 1.330 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -8.654 -13.473 3.295 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -8.336 -11.791 2.920 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.936 -12.889 0.402 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -10.031 -13.745 1.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -11.006 -11.668 0.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -10.771 -11.609 2.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -9.711 -10.780 1.343 1.00 0.00 H new ATOM 1072 N ILE A 72 -4.240 -12.228 0.532 1.00 0.00 N ATOM 1073 CA ILE A 72 -3.785 -10.999 -0.175 1.00 0.00 C ATOM 1074 C ILE A 72 -4.988 -10.094 -0.449 1.00 0.00 C ATOM 1075 O ILE A 72 -6.030 -10.546 -0.880 1.00 0.00 O ATOM 1076 CB ILE A 72 -3.125 -11.387 -1.500 1.00 0.00 C ATOM 1077 CG1 ILE A 72 -1.987 -12.376 -1.234 1.00 0.00 C ATOM 1078 CG2 ILE A 72 -2.564 -10.135 -2.178 1.00 0.00 C ATOM 1079 CD1 ILE A 72 -1.511 -12.974 -2.559 1.00 0.00 C ATOM 0 H ILE A 72 -4.625 -12.956 -0.069 1.00 0.00 H new ATOM 0 HA ILE A 72 -3.065 -10.467 0.447 1.00 0.00 H new ATOM 0 HB ILE A 72 -3.866 -11.852 -2.151 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.161 -11.871 -0.733 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.328 -13.168 -0.567 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.094 -10.412 -3.122 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -3.374 -9.431 -2.369 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.824 -9.669 -1.527 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.701 -13.678 -2.370 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.339 -13.494 -3.042 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.154 -12.177 -3.211 1.00 0.00 H new ATOM 1091 N HIS A 73 -4.854 -8.820 -0.203 1.00 0.00 N ATOM 1092 CA HIS A 73 -5.991 -7.889 -0.450 1.00 0.00 C ATOM 1093 C HIS A 73 -5.924 -7.371 -1.888 1.00 0.00 C ATOM 1094 O HIS A 73 -6.908 -7.361 -2.600 1.00 0.00 O ATOM 1095 CB HIS A 73 -5.906 -6.711 0.521 1.00 0.00 C ATOM 1096 CG HIS A 73 -6.168 -7.195 1.921 1.00 0.00 C ATOM 1097 ND1 HIS A 73 -7.412 -7.656 2.322 1.00 0.00 N ATOM 1098 CD2 HIS A 73 -5.358 -7.295 3.024 1.00 0.00 C ATOM 1099 CE1 HIS A 73 -7.315 -8.010 3.617 1.00 0.00 C ATOM 1100 NE2 HIS A 73 -6.084 -7.809 4.094 1.00 0.00 N ATOM 0 H HIS A 73 -4.006 -8.383 0.158 1.00 0.00 H new ATOM 0 HA HIS A 73 -6.932 -8.417 -0.298 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -4.921 -6.249 0.463 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -6.633 -5.947 0.247 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -8.249 -7.716 1.742 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -4.315 -7.017 3.057 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -8.133 -8.408 4.199 1.00 0.00 H new ATOM 1108 N SER A 74 -4.771 -6.941 -2.321 1.00 0.00 N ATOM 1109 CA SER A 74 -4.644 -6.424 -3.713 1.00 0.00 C ATOM 1110 C SER A 74 -3.178 -6.101 -4.007 1.00 0.00 C ATOM 1111 O SER A 74 -2.397 -5.843 -3.113 1.00 0.00 O ATOM 1112 CB SER A 74 -5.486 -5.155 -3.864 1.00 0.00 C ATOM 1113 OG SER A 74 -5.431 -4.707 -5.210 1.00 0.00 O ATOM 0 H SER A 74 -3.912 -6.925 -1.772 1.00 0.00 H new ATOM 0 HA SER A 74 -4.996 -7.180 -4.414 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.519 -5.355 -3.578 1.00 0.00 H new ATOM 0 HB3 SER A 74 -5.115 -4.378 -3.196 1.00 0.00 H new ATOM 0 HG SER A 74 -5.972 -3.895 -5.307 1.00 0.00 H new ATOM 1119 N ILE A 75 -2.798 -6.113 -5.256 1.00 0.00 N ATOM 1120 CA ILE A 75 -1.383 -5.807 -5.609 1.00 0.00 C ATOM 1121 C ILE A 75 -1.352 -4.770 -6.733 1.00 0.00 C ATOM 1122 O ILE A 75 -2.193 -4.767 -7.610 1.00 0.00 O ATOM 1123 CB ILE A 75 -0.685 -7.085 -6.076 1.00 0.00 C ATOM 1124 CG1 ILE A 75 -1.296 -7.546 -7.401 1.00 0.00 C ATOM 1125 CG2 ILE A 75 -0.868 -8.180 -5.023 1.00 0.00 C ATOM 1126 CD1 ILE A 75 -0.501 -8.736 -7.942 1.00 0.00 C ATOM 0 H ILE A 75 -3.407 -6.322 -6.047 1.00 0.00 H new ATOM 0 HA ILE A 75 -0.868 -5.411 -4.734 1.00 0.00 H new ATOM 0 HB ILE A 75 0.378 -6.888 -6.215 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -2.339 -7.828 -7.254 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.285 -6.729 -8.123 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.371 -9.091 -5.355 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.433 -7.853 -4.079 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -1.931 -8.377 -4.884 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -0.936 -9.065 -8.886 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.535 -8.438 -8.104 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -0.535 -9.554 -7.222 1.00 0.00 H new ATOM 1138 N ASP A 76 -0.389 -3.890 -6.715 1.00 0.00 N ATOM 1139 CA ASP A 76 -0.307 -2.856 -7.784 1.00 0.00 C ATOM 1140 C ASP A 76 1.091 -2.872 -8.407 1.00 0.00 C ATOM 1141 O ASP A 76 2.001 -2.223 -7.930 1.00 0.00 O ATOM 1142 CB ASP A 76 -0.581 -1.477 -7.182 1.00 0.00 C ATOM 1143 CG ASP A 76 -2.029 -1.412 -6.694 1.00 0.00 C ATOM 1144 OD1 ASP A 76 -2.791 -2.299 -7.043 1.00 0.00 O ATOM 1145 OD2 ASP A 76 -2.352 -0.478 -5.980 1.00 0.00 O ATOM 0 H ASP A 76 0.344 -3.842 -6.007 1.00 0.00 H new ATOM 0 HA ASP A 76 -1.049 -3.071 -8.553 1.00 0.00 H new ATOM 0 HB2 ASP A 76 0.102 -1.288 -6.354 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.402 -0.701 -7.926 1.00 0.00 H new ATOM 1150 N LYS A 77 1.269 -3.608 -9.469 1.00 0.00 N ATOM 1151 CA LYS A 77 2.608 -3.664 -10.120 1.00 0.00 C ATOM 1152 C LYS A 77 2.980 -2.272 -10.636 1.00 0.00 C ATOM 1153 O LYS A 77 4.127 -1.874 -10.604 1.00 0.00 O ATOM 1154 CB LYS A 77 2.565 -4.648 -11.291 1.00 0.00 C ATOM 1155 CG LYS A 77 2.324 -6.062 -10.759 1.00 0.00 C ATOM 1156 CD LYS A 77 2.425 -7.064 -11.911 1.00 0.00 C ATOM 1157 CE LYS A 77 2.045 -8.459 -11.409 1.00 0.00 C ATOM 1158 NZ LYS A 77 3.214 -9.373 -11.549 1.00 0.00 N ATOM 0 H LYS A 77 0.546 -4.173 -9.914 1.00 0.00 H new ATOM 0 HA LYS A 77 3.352 -3.995 -9.396 1.00 0.00 H new ATOM 0 HB2 LYS A 77 1.773 -4.369 -11.986 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.503 -4.611 -11.846 1.00 0.00 H new ATOM 0 HG2 LYS A 77 3.057 -6.302 -9.989 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.340 -6.124 -10.294 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.764 -6.766 -12.725 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.439 -7.074 -12.311 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.732 -8.409 -10.366 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.199 -8.844 -11.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 2.956 -10.321 -11.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 3.493 -9.429 -12.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 4.010 -9.008 -10.988 1.00 0.00 H new ATOM 1172 N VAL A 78 2.018 -1.530 -11.111 1.00 0.00 N ATOM 1173 CA VAL A 78 2.317 -0.164 -11.628 1.00 0.00 C ATOM 1174 C VAL A 78 2.626 0.766 -10.453 1.00 0.00 C ATOM 1175 O VAL A 78 3.510 1.597 -10.522 1.00 0.00 O ATOM 1176 CB VAL A 78 1.105 0.368 -12.395 1.00 0.00 C ATOM 1177 CG1 VAL A 78 1.330 1.839 -12.748 1.00 0.00 C ATOM 1178 CG2 VAL A 78 0.917 -0.444 -13.678 1.00 0.00 C ATOM 0 H VAL A 78 1.039 -1.810 -11.164 1.00 0.00 H new ATOM 0 HA VAL A 78 3.178 -0.207 -12.295 1.00 0.00 H new ATOM 0 HB VAL A 78 0.213 0.277 -11.775 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.467 2.218 -13.295 1.00 0.00 H new ATOM 0 HG12 VAL A 78 1.463 2.417 -11.833 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.221 1.932 -13.368 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.054 -0.065 -14.225 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.808 -0.354 -14.299 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.755 -1.492 -13.425 1.00 0.00 H new ATOM 1188 N ASN A 79 1.902 0.635 -9.376 1.00 0.00 N ATOM 1189 CA ASN A 79 2.153 1.511 -8.197 1.00 0.00 C ATOM 1190 C ASN A 79 3.194 0.855 -7.286 1.00 0.00 C ATOM 1191 O ASN A 79 3.458 1.321 -6.195 1.00 0.00 O ATOM 1192 CB ASN A 79 0.850 1.710 -7.422 1.00 0.00 C ATOM 1193 CG ASN A 79 -0.210 2.304 -8.351 1.00 0.00 C ATOM 1194 OD1 ASN A 79 -1.343 1.677 -8.514 1.00 0.00 O flip ATOM 1195 ND2 ASN A 79 -0.007 3.351 -8.933 1.00 0.00 N flip ATOM 0 H ASN A 79 1.147 -0.041 -9.261 1.00 0.00 H new ATOM 0 HA ASN A 79 2.525 2.478 -8.536 1.00 0.00 H new ATOM 0 HB2 ASN A 79 0.504 0.758 -7.020 1.00 0.00 H new ATOM 0 HB3 ASN A 79 1.017 2.372 -6.573 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.878 3.842 -8.806 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -0.722 3.739 -9.548 1.00 0.00 H new ATOM 1202 N HIS A 80 3.784 -0.223 -7.722 1.00 0.00 N ATOM 1203 CA HIS A 80 4.804 -0.906 -6.878 1.00 0.00 C ATOM 1204 C HIS A 80 4.298 -0.991 -5.437 1.00 0.00 C ATOM 1205 O HIS A 80 4.998 -0.655 -4.503 1.00 0.00 O ATOM 1206 CB HIS A 80 6.111 -0.110 -6.914 1.00 0.00 C ATOM 1207 CG HIS A 80 6.475 0.189 -8.342 1.00 0.00 C ATOM 1208 ND1 HIS A 80 6.127 1.380 -8.960 1.00 0.00 N ATOM 1209 CD2 HIS A 80 7.158 -0.537 -9.285 1.00 0.00 C ATOM 1210 CE1 HIS A 80 6.598 1.336 -10.220 1.00 0.00 C ATOM 1211 NE2 HIS A 80 7.234 0.188 -10.471 1.00 0.00 N ATOM 0 H HIS A 80 3.604 -0.660 -8.626 1.00 0.00 H new ATOM 0 HA HIS A 80 4.980 -1.911 -7.261 1.00 0.00 H new ATOM 0 HB2 HIS A 80 6.000 0.818 -6.354 1.00 0.00 H new ATOM 0 HB3 HIS A 80 6.909 -0.678 -6.435 1.00 0.00 H new ATOM 0 HD1 HIS A 80 5.608 2.150 -8.537 1.00 0.00 H new ATOM 0 HD2 HIS A 80 7.574 -1.522 -9.131 1.00 0.00 H new ATOM 0 HE1 HIS A 80 6.477 2.132 -10.940 1.00 0.00 H new ATOM 1219 N THR A 81 3.087 -1.438 -5.250 1.00 0.00 N ATOM 1220 CA THR A 81 2.537 -1.542 -3.869 1.00 0.00 C ATOM 1221 C THR A 81 1.946 -2.938 -3.657 1.00 0.00 C ATOM 1222 O THR A 81 1.161 -3.417 -4.452 1.00 0.00 O ATOM 1223 CB THR A 81 1.443 -0.490 -3.674 1.00 0.00 C ATOM 1224 OG1 THR A 81 1.982 0.801 -3.917 1.00 0.00 O ATOM 1225 CG2 THR A 81 0.911 -0.562 -2.242 1.00 0.00 C ATOM 0 H THR A 81 2.455 -1.736 -5.993 1.00 0.00 H new ATOM 0 HA THR A 81 3.336 -1.373 -3.147 1.00 0.00 H new ATOM 0 HB THR A 81 0.627 -0.681 -4.371 1.00 0.00 H new ATOM 0 HG1 THR A 81 2.347 0.837 -4.826 1.00 0.00 H new ATOM 0 HG21 THR A 81 0.132 0.188 -2.105 1.00 0.00 H new ATOM 0 HG22 THR A 81 0.497 -1.553 -2.057 1.00 0.00 H new ATOM 0 HG23 THR A 81 1.724 -0.372 -1.542 1.00 0.00 H new ATOM 1233 N TYR A 82 2.315 -3.591 -2.591 1.00 0.00 N ATOM 1234 CA TYR A 82 1.773 -4.953 -2.324 1.00 0.00 C ATOM 1235 C TYR A 82 1.074 -4.960 -0.963 1.00 0.00 C ATOM 1236 O TYR A 82 1.622 -4.519 0.028 1.00 0.00 O ATOM 1237 CB TYR A 82 2.921 -5.965 -2.315 1.00 0.00 C ATOM 1238 CG TYR A 82 2.358 -7.366 -2.276 1.00 0.00 C ATOM 1239 CD1 TYR A 82 2.022 -8.020 -3.468 1.00 0.00 C ATOM 1240 CD2 TYR A 82 2.173 -8.012 -1.048 1.00 0.00 C ATOM 1241 CE1 TYR A 82 1.502 -9.319 -3.431 1.00 0.00 C ATOM 1242 CE2 TYR A 82 1.652 -9.311 -1.010 1.00 0.00 C ATOM 1243 CZ TYR A 82 1.316 -9.964 -2.202 1.00 0.00 C ATOM 1244 OH TYR A 82 0.803 -11.244 -2.166 1.00 0.00 O ATOM 0 H TYR A 82 2.970 -3.240 -1.892 1.00 0.00 H new ATOM 0 HA TYR A 82 1.059 -5.223 -3.102 1.00 0.00 H new ATOM 0 HB2 TYR A 82 3.541 -5.835 -3.202 1.00 0.00 H new ATOM 0 HB3 TYR A 82 3.563 -5.795 -1.450 1.00 0.00 H new ATOM 0 HD1 TYR A 82 2.164 -7.522 -4.416 1.00 0.00 H new ATOM 0 HD2 TYR A 82 2.432 -7.508 -0.129 1.00 0.00 H new ATOM 0 HE1 TYR A 82 1.244 -9.824 -4.350 1.00 0.00 H new ATOM 0 HE2 TYR A 82 1.509 -9.809 -0.062 1.00 0.00 H new ATOM 0 HH TYR A 82 0.958 -11.634 -1.280 1.00 0.00 H new ATOM 1254 N SER A 83 -0.133 -5.453 -0.904 1.00 0.00 N ATOM 1255 CA SER A 83 -0.862 -5.480 0.396 1.00 0.00 C ATOM 1256 C SER A 83 -1.309 -6.909 0.711 1.00 0.00 C ATOM 1257 O SER A 83 -1.831 -7.608 -0.135 1.00 0.00 O ATOM 1258 CB SER A 83 -2.090 -4.571 0.309 1.00 0.00 C ATOM 1259 OG SER A 83 -2.987 -5.079 -0.667 1.00 0.00 O ATOM 0 H SER A 83 -0.645 -5.838 -1.698 1.00 0.00 H new ATOM 0 HA SER A 83 -0.200 -5.128 1.187 1.00 0.00 H new ATOM 0 HB2 SER A 83 -2.584 -4.516 1.279 1.00 0.00 H new ATOM 0 HB3 SER A 83 -1.787 -3.557 0.047 1.00 0.00 H new ATOM 0 HG SER A 83 -2.570 -5.027 -1.553 1.00 0.00 H new ATOM 1265 N TYR A 84 -1.111 -7.346 1.924 1.00 0.00 N ATOM 1266 CA TYR A 84 -1.528 -8.727 2.300 1.00 0.00 C ATOM 1267 C TYR A 84 -1.862 -8.765 3.793 1.00 0.00 C ATOM 1268 O TYR A 84 -1.523 -7.866 4.536 1.00 0.00 O ATOM 1269 CB TYR A 84 -0.389 -9.707 2.000 1.00 0.00 C ATOM 1270 CG TYR A 84 0.723 -9.518 3.003 1.00 0.00 C ATOM 1271 CD1 TYR A 84 1.703 -8.542 2.787 1.00 0.00 C ATOM 1272 CD2 TYR A 84 0.776 -10.322 4.149 1.00 0.00 C ATOM 1273 CE1 TYR A 84 2.736 -8.368 3.717 1.00 0.00 C ATOM 1274 CE2 TYR A 84 1.810 -10.148 5.079 1.00 0.00 C ATOM 1275 CZ TYR A 84 2.789 -9.172 4.863 1.00 0.00 C ATOM 1276 OH TYR A 84 3.807 -9.001 5.779 1.00 0.00 O ATOM 0 H TYR A 84 -0.678 -6.806 2.673 1.00 0.00 H new ATOM 0 HA TYR A 84 -2.408 -9.013 1.723 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -0.758 -10.732 2.041 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -0.012 -9.544 0.990 1.00 0.00 H new ATOM 0 HD1 TYR A 84 1.663 -7.923 1.903 1.00 0.00 H new ATOM 0 HD2 TYR A 84 0.020 -11.076 4.316 1.00 0.00 H new ATOM 0 HE1 TYR A 84 3.491 -7.614 3.551 1.00 0.00 H new ATOM 0 HE2 TYR A 84 1.851 -10.768 5.963 1.00 0.00 H new ATOM 0 HH TYR A 84 3.428 -8.740 6.644 1.00 0.00 H new ATOM 1286 N SER A 85 -2.527 -9.796 4.239 1.00 0.00 N ATOM 1287 CA SER A 85 -2.881 -9.881 5.685 1.00 0.00 C ATOM 1288 C SER A 85 -2.763 -11.330 6.160 1.00 0.00 C ATOM 1289 O SER A 85 -2.740 -12.253 5.372 1.00 0.00 O ATOM 1290 CB SER A 85 -4.318 -9.394 5.886 1.00 0.00 C ATOM 1291 OG SER A 85 -5.199 -10.190 5.105 1.00 0.00 O ATOM 0 H SER A 85 -2.840 -10.581 3.667 1.00 0.00 H new ATOM 0 HA SER A 85 -2.199 -9.256 6.262 1.00 0.00 H new ATOM 0 HB2 SER A 85 -4.591 -9.456 6.939 1.00 0.00 H new ATOM 0 HB3 SER A 85 -4.403 -8.347 5.596 1.00 0.00 H new ATOM 0 HG SER A 85 -5.599 -9.639 4.400 1.00 0.00 H new ATOM 1297 N LEU A 86 -2.691 -11.537 7.448 1.00 0.00 N ATOM 1298 CA LEU A 86 -2.577 -12.926 7.974 1.00 0.00 C ATOM 1299 C LEU A 86 -3.938 -13.387 8.498 1.00 0.00 C ATOM 1300 O LEU A 86 -4.596 -12.688 9.246 1.00 0.00 O ATOM 1301 CB LEU A 86 -1.555 -12.961 9.112 1.00 0.00 C ATOM 1302 CG LEU A 86 -1.103 -14.405 9.347 1.00 0.00 C ATOM 1303 CD1 LEU A 86 0.034 -14.426 10.370 1.00 0.00 C ATOM 1304 CD2 LEU A 86 -2.280 -15.227 9.877 1.00 0.00 C ATOM 0 H LEU A 86 -2.706 -10.804 8.157 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.251 -13.590 7.173 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.697 -12.336 8.864 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.994 -12.553 10.022 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.753 -14.833 8.407 1.00 0.00 H new ATOM 0 HD11 LEU A 86 0.355 -15.454 10.536 1.00 0.00 H new ATOM 0 HD12 LEU A 86 0.873 -13.841 9.994 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.314 -13.998 11.310 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.959 -16.255 10.045 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.630 -14.798 10.816 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.090 -15.214 9.148 1.00 0.00 H new ATOM 1316 N ILE A 87 -4.363 -14.559 8.112 1.00 0.00 N ATOM 1317 CA ILE A 87 -5.682 -15.069 8.584 1.00 0.00 C ATOM 1318 C ILE A 87 -5.485 -15.893 9.857 1.00 0.00 C ATOM 1319 O ILE A 87 -5.760 -15.439 10.951 1.00 0.00 O ATOM 1320 CB ILE A 87 -6.303 -15.950 7.499 1.00 0.00 C ATOM 1321 CG1 ILE A 87 -6.472 -15.136 6.214 1.00 0.00 C ATOM 1322 CG2 ILE A 87 -7.669 -16.451 7.970 1.00 0.00 C ATOM 1323 CD1 ILE A 87 -6.942 -16.057 5.085 1.00 0.00 C ATOM 0 H ILE A 87 -3.853 -15.186 7.490 1.00 0.00 H new ATOM 0 HA ILE A 87 -6.343 -14.228 8.795 1.00 0.00 H new ATOM 0 HB ILE A 87 -5.651 -16.802 7.305 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -7.196 -14.336 6.370 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -5.528 -14.664 5.943 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -8.112 -17.079 7.197 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -7.548 -17.032 8.884 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -8.322 -15.600 8.164 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -7.063 -15.478 4.169 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -6.202 -16.841 4.924 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -7.896 -16.508 5.357 1.00 0.00 H new ATOM 1335 N GLU A 88 -5.012 -17.102 9.726 1.00 0.00 N ATOM 1336 CA GLU A 88 -4.801 -17.954 10.930 1.00 0.00 C ATOM 1337 C GLU A 88 -3.319 -18.314 11.045 1.00 0.00 C ATOM 1338 O GLU A 88 -2.628 -18.467 10.058 1.00 0.00 O ATOM 1339 CB GLU A 88 -5.628 -19.234 10.798 1.00 0.00 C ATOM 1340 CG GLU A 88 -7.096 -18.869 10.568 1.00 0.00 C ATOM 1341 CD GLU A 88 -7.929 -20.147 10.453 1.00 0.00 C ATOM 1342 OE1 GLU A 88 -7.336 -21.209 10.356 1.00 0.00 O ATOM 1343 OE2 GLU A 88 -9.144 -20.043 10.466 1.00 0.00 O ATOM 0 H GLU A 88 -4.763 -17.536 8.837 1.00 0.00 H new ATOM 0 HA GLU A 88 -5.113 -17.410 11.821 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -5.257 -19.836 9.968 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -5.529 -19.839 11.700 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -7.463 -18.257 11.392 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -7.196 -18.275 9.660 1.00 0.00 H new ATOM 1350 N GLY A 89 -2.824 -18.449 12.245 1.00 0.00 N ATOM 1351 CA GLY A 89 -1.388 -18.797 12.423 1.00 0.00 C ATOM 1352 C GLY A 89 -1.143 -19.226 13.872 1.00 0.00 C ATOM 1353 O GLY A 89 -1.767 -18.730 14.790 1.00 0.00 O ATOM 0 H GLY A 89 -3.353 -18.333 13.109 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -1.111 -19.602 11.742 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.762 -17.940 12.175 1.00 0.00 H new ATOM 1357 N ASP A 90 -0.242 -20.145 14.085 1.00 0.00 N ATOM 1358 CA ASP A 90 0.039 -20.603 15.474 1.00 0.00 C ATOM 1359 C ASP A 90 0.251 -19.387 16.378 1.00 0.00 C ATOM 1360 O ASP A 90 -0.295 -19.304 17.460 1.00 0.00 O ATOM 1361 CB ASP A 90 1.300 -21.470 15.480 1.00 0.00 C ATOM 1362 CG ASP A 90 1.122 -22.621 16.473 1.00 0.00 C ATOM 1363 OD1 ASP A 90 0.004 -22.828 16.914 1.00 0.00 O ATOM 1364 OD2 ASP A 90 2.107 -23.275 16.775 1.00 0.00 O ATOM 0 H ASP A 90 0.311 -20.598 13.358 1.00 0.00 H new ATOM 0 HA ASP A 90 -0.805 -21.187 15.842 1.00 0.00 H new ATOM 0 HB2 ASP A 90 1.489 -21.863 14.481 1.00 0.00 H new ATOM 0 HB3 ASP A 90 2.167 -20.869 15.755 1.00 0.00 H new ATOM 1369 N ALA A 91 1.037 -18.440 15.941 1.00 0.00 N ATOM 1370 CA ALA A 91 1.279 -17.231 16.777 1.00 0.00 C ATOM 1371 C ALA A 91 -0.043 -16.495 16.998 1.00 0.00 C ATOM 1372 O ALA A 91 -0.199 -15.745 17.942 1.00 0.00 O ATOM 1373 CB ALA A 91 2.263 -16.304 16.060 1.00 0.00 C ATOM 0 H ALA A 91 1.521 -18.452 15.043 1.00 0.00 H new ATOM 0 HA ALA A 91 1.696 -17.530 17.739 1.00 0.00 H new ATOM 0 HB1 ALA A 91 2.441 -15.419 16.671 1.00 0.00 H new ATOM 0 HB2 ALA A 91 3.205 -16.828 15.898 1.00 0.00 H new ATOM 0 HB3 ALA A 91 1.845 -16.003 15.099 1.00 0.00 H new ATOM 1379 N LEU A 92 -0.998 -16.701 16.133 1.00 0.00 N ATOM 1380 CA LEU A 92 -2.310 -16.015 16.290 1.00 0.00 C ATOM 1381 C LEU A 92 -3.213 -16.846 17.205 1.00 0.00 C ATOM 1382 O LEU A 92 -3.959 -16.316 18.006 1.00 0.00 O ATOM 1383 CB LEU A 92 -2.973 -15.867 14.921 1.00 0.00 C ATOM 1384 CG LEU A 92 -2.141 -14.924 14.048 1.00 0.00 C ATOM 1385 CD1 LEU A 92 -0.878 -15.649 13.578 1.00 0.00 C ATOM 1386 CD2 LEU A 92 -2.965 -14.495 12.832 1.00 0.00 C ATOM 0 H LEU A 92 -0.925 -17.316 15.323 1.00 0.00 H new ATOM 0 HA LEU A 92 -2.155 -15.029 16.729 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -3.061 -16.842 14.441 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -3.984 -15.476 15.035 1.00 0.00 H new ATOM 0 HG LEU A 92 -1.862 -14.043 14.626 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.284 -14.979 12.956 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.291 -15.956 14.444 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -1.158 -16.529 12.999 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.373 -13.823 12.210 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.244 -15.375 12.253 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -3.866 -13.980 13.166 1.00 0.00 H new ATOM 1398 N SER A 93 -3.154 -18.145 17.089 1.00 0.00 N ATOM 1399 CA SER A 93 -4.010 -19.008 17.949 1.00 0.00 C ATOM 1400 C SER A 93 -5.479 -18.643 17.728 1.00 0.00 C ATOM 1401 O SER A 93 -5.798 -17.553 17.299 1.00 0.00 O ATOM 1402 CB SER A 93 -3.643 -18.791 19.418 1.00 0.00 C ATOM 1403 OG SER A 93 -2.500 -19.570 19.740 1.00 0.00 O ATOM 0 H SER A 93 -2.550 -18.645 16.436 1.00 0.00 H new ATOM 0 HA SER A 93 -3.851 -20.055 17.689 1.00 0.00 H new ATOM 0 HB2 SER A 93 -3.441 -17.736 19.601 1.00 0.00 H new ATOM 0 HB3 SER A 93 -4.480 -19.071 20.058 1.00 0.00 H new ATOM 0 HG SER A 93 -1.832 -19.479 19.029 1.00 0.00 H new ATOM 1409 N GLU A 94 -6.377 -19.544 18.017 1.00 0.00 N ATOM 1410 CA GLU A 94 -7.824 -19.241 17.819 1.00 0.00 C ATOM 1411 C GLU A 94 -8.252 -18.118 18.767 1.00 0.00 C ATOM 1412 O GLU A 94 -9.345 -17.598 18.674 1.00 0.00 O ATOM 1413 CB GLU A 94 -8.650 -20.495 18.112 1.00 0.00 C ATOM 1414 CG GLU A 94 -8.205 -21.628 17.186 1.00 0.00 C ATOM 1415 CD GLU A 94 -9.015 -22.888 17.497 1.00 0.00 C ATOM 1416 OE1 GLU A 94 -9.695 -22.896 18.510 1.00 0.00 O ATOM 1417 OE2 GLU A 94 -8.941 -23.824 16.718 1.00 0.00 O ATOM 0 H GLU A 94 -6.173 -20.475 18.381 1.00 0.00 H new ATOM 0 HA GLU A 94 -7.988 -18.925 16.789 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -8.524 -20.791 19.153 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -9.710 -20.287 17.966 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -8.348 -21.339 16.145 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -7.141 -21.824 17.319 1.00 0.00 H new ATOM 1424 N ASN A 95 -7.402 -17.745 19.685 1.00 0.00 N ATOM 1425 CA ASN A 95 -7.766 -16.662 20.640 1.00 0.00 C ATOM 1426 C ASN A 95 -7.643 -15.299 19.960 1.00 0.00 C ATOM 1427 O ASN A 95 -8.403 -14.393 20.235 1.00 0.00 O ATOM 1428 CB ASN A 95 -6.824 -16.708 21.842 1.00 0.00 C ATOM 1429 CG ASN A 95 -7.101 -17.972 22.653 1.00 0.00 C ATOM 1430 OD1 ASN A 95 -6.188 -18.664 23.055 1.00 0.00 O ATOM 1431 ND2 ASN A 95 -8.336 -18.303 22.911 1.00 0.00 N ATOM 0 H ASN A 95 -6.472 -18.144 19.814 1.00 0.00 H new ATOM 0 HA ASN A 95 -8.795 -16.809 20.967 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -5.787 -16.698 21.506 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -6.967 -15.824 22.464 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -8.536 -19.145 23.451 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -9.102 -17.720 22.572 1.00 0.00 H new ATOM 1438 N ILE A 96 -6.689 -15.137 19.085 1.00 0.00 N ATOM 1439 CA ILE A 96 -6.527 -13.819 18.409 1.00 0.00 C ATOM 1440 C ILE A 96 -5.895 -14.008 17.027 1.00 0.00 C ATOM 1441 O ILE A 96 -4.713 -14.261 16.906 1.00 0.00 O ATOM 1442 CB ILE A 96 -5.618 -12.924 19.255 1.00 0.00 C ATOM 1443 CG1 ILE A 96 -4.419 -13.737 19.745 1.00 0.00 C ATOM 1444 CG2 ILE A 96 -6.397 -12.389 20.458 1.00 0.00 C ATOM 1445 CD1 ILE A 96 -3.377 -12.794 20.350 1.00 0.00 C ATOM 0 H ILE A 96 -6.019 -15.855 18.810 1.00 0.00 H new ATOM 0 HA ILE A 96 -7.508 -13.357 18.296 1.00 0.00 H new ATOM 0 HB ILE A 96 -5.270 -12.087 18.650 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -4.740 -14.467 20.488 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -3.982 -14.296 18.917 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -5.747 -11.752 21.058 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -7.252 -11.809 20.109 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -6.748 -13.224 21.065 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -2.522 -13.373 20.700 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -3.048 -12.082 19.593 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -3.818 -12.255 21.189 1.00 0.00 H new ATOM 1457 N GLU A 97 -6.666 -13.867 15.982 1.00 0.00 N ATOM 1458 CA GLU A 97 -6.094 -14.019 14.614 1.00 0.00 C ATOM 1459 C GLU A 97 -6.610 -12.887 13.725 1.00 0.00 C ATOM 1460 O GLU A 97 -7.759 -12.864 13.333 1.00 0.00 O ATOM 1461 CB GLU A 97 -6.522 -15.363 14.021 1.00 0.00 C ATOM 1462 CG GLU A 97 -6.509 -16.432 15.113 1.00 0.00 C ATOM 1463 CD GLU A 97 -7.125 -17.724 14.571 1.00 0.00 C ATOM 1464 OE1 GLU A 97 -7.942 -17.634 13.670 1.00 0.00 O ATOM 1465 OE2 GLU A 97 -6.769 -18.780 15.067 1.00 0.00 O ATOM 0 H GLU A 97 -7.663 -13.654 16.016 1.00 0.00 H new ATOM 0 HA GLU A 97 -5.006 -13.980 14.670 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -7.520 -15.281 13.590 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -5.848 -15.646 13.212 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -5.487 -16.615 15.445 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -7.069 -16.086 15.982 1.00 0.00 H new ATOM 1472 N LYS A 98 -5.765 -11.949 13.402 1.00 0.00 N ATOM 1473 CA LYS A 98 -6.198 -10.820 12.535 1.00 0.00 C ATOM 1474 C LYS A 98 -5.011 -9.885 12.299 1.00 0.00 C ATOM 1475 O LYS A 98 -4.750 -8.995 13.082 1.00 0.00 O ATOM 1476 CB LYS A 98 -7.325 -10.053 13.229 1.00 0.00 C ATOM 1477 CG LYS A 98 -7.891 -8.999 12.276 1.00 0.00 C ATOM 1478 CD LYS A 98 -9.312 -8.633 12.709 1.00 0.00 C ATOM 1479 CE LYS A 98 -10.031 -7.927 11.558 1.00 0.00 C ATOM 1480 NZ LYS A 98 -10.581 -6.628 12.038 1.00 0.00 N ATOM 0 H LYS A 98 -4.791 -11.916 13.702 1.00 0.00 H new ATOM 0 HA LYS A 98 -6.556 -11.203 11.580 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -8.113 -10.742 13.535 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -6.950 -9.575 14.134 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -7.258 -8.112 12.280 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -7.897 -9.382 11.255 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -9.858 -9.531 12.997 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -9.281 -7.985 13.585 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -9.340 -7.759 10.732 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -10.835 -8.556 11.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -10.478 -5.911 11.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -11.588 -6.743 12.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -10.061 -6.323 12.886 1.00 0.00 H new ATOM 1494 N ILE A 99 -4.282 -10.078 11.234 1.00 0.00 N ATOM 1495 CA ILE A 99 -3.112 -9.191 10.979 1.00 0.00 C ATOM 1496 C ILE A 99 -3.213 -8.577 9.581 1.00 0.00 C ATOM 1497 O ILE A 99 -3.303 -9.272 8.590 1.00 0.00 O ATOM 1498 CB ILE A 99 -1.823 -10.006 11.085 1.00 0.00 C ATOM 1499 CG1 ILE A 99 -1.869 -10.870 12.347 1.00 0.00 C ATOM 1500 CG2 ILE A 99 -0.627 -9.056 11.161 1.00 0.00 C ATOM 1501 CD1 ILE A 99 -0.553 -11.636 12.489 1.00 0.00 C ATOM 0 H ILE A 99 -4.443 -10.804 10.536 1.00 0.00 H new ATOM 0 HA ILE A 99 -3.103 -8.391 11.719 1.00 0.00 H new ATOM 0 HB ILE A 99 -1.724 -10.647 10.209 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -2.034 -10.244 13.224 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -2.704 -11.568 12.292 1.00 0.00 H new ATOM 0 HG21 ILE A 99 0.293 -9.635 11.237 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -0.595 -8.439 10.263 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -0.726 -8.416 12.038 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -0.585 -12.252 13.388 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -0.408 -12.274 11.617 1.00 0.00 H new ATOM 0 HD13 ILE A 99 0.273 -10.929 12.563 1.00 0.00 H new ATOM 1513 N ASP A 100 -3.188 -7.274 9.499 1.00 0.00 N ATOM 1514 CA ASP A 100 -3.270 -6.607 8.170 1.00 0.00 C ATOM 1515 C ASP A 100 -1.881 -6.095 7.786 1.00 0.00 C ATOM 1516 O ASP A 100 -1.342 -5.206 8.416 1.00 0.00 O ATOM 1517 CB ASP A 100 -4.247 -5.431 8.245 1.00 0.00 C ATOM 1518 CG ASP A 100 -4.345 -4.761 6.873 1.00 0.00 C ATOM 1519 OD1 ASP A 100 -3.836 -5.329 5.921 1.00 0.00 O ATOM 1520 OD2 ASP A 100 -4.929 -3.693 6.798 1.00 0.00 O ATOM 0 H ASP A 100 -3.114 -6.643 10.297 1.00 0.00 H new ATOM 0 HA ASP A 100 -3.622 -7.317 7.422 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -5.230 -5.780 8.562 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -3.909 -4.711 8.990 1.00 0.00 H new ATOM 1525 N TYR A 101 -1.291 -6.655 6.768 1.00 0.00 N ATOM 1526 CA TYR A 101 0.069 -6.205 6.358 1.00 0.00 C ATOM 1527 C TYR A 101 -0.026 -5.322 5.112 1.00 0.00 C ATOM 1528 O TYR A 101 -0.827 -5.556 4.230 1.00 0.00 O ATOM 1529 CB TYR A 101 0.935 -7.427 6.051 1.00 0.00 C ATOM 1530 CG TYR A 101 1.291 -8.127 7.342 1.00 0.00 C ATOM 1531 CD1 TYR A 101 2.339 -7.644 8.133 1.00 0.00 C ATOM 1532 CD2 TYR A 101 0.572 -9.259 7.745 1.00 0.00 C ATOM 1533 CE1 TYR A 101 2.669 -8.293 9.329 1.00 0.00 C ATOM 1534 CE2 TYR A 101 0.903 -9.908 8.941 1.00 0.00 C ATOM 1535 CZ TYR A 101 1.951 -9.424 9.734 1.00 0.00 C ATOM 1536 OH TYR A 101 2.276 -10.063 10.912 1.00 0.00 O ATOM 0 H TYR A 101 -1.690 -7.404 6.202 1.00 0.00 H new ATOM 0 HA TYR A 101 0.517 -5.630 7.169 1.00 0.00 H new ATOM 0 HB2 TYR A 101 0.400 -8.109 5.390 1.00 0.00 H new ATOM 0 HB3 TYR A 101 1.841 -7.122 5.528 1.00 0.00 H new ATOM 0 HD1 TYR A 101 2.893 -6.771 7.821 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -0.237 -9.631 7.134 1.00 0.00 H new ATOM 0 HE1 TYR A 101 3.478 -7.921 9.939 1.00 0.00 H new ATOM 0 HE2 TYR A 101 0.350 -10.782 9.252 1.00 0.00 H new ATOM 0 HH TYR A 101 2.640 -9.412 11.547 1.00 0.00 H new ATOM 1546 N GLU A 102 0.795 -4.310 5.035 1.00 0.00 N ATOM 1547 CA GLU A 102 0.768 -3.409 3.849 1.00 0.00 C ATOM 1548 C GLU A 102 2.202 -3.150 3.385 1.00 0.00 C ATOM 1549 O GLU A 102 3.072 -2.842 4.176 1.00 0.00 O ATOM 1550 CB GLU A 102 0.106 -2.082 4.228 1.00 0.00 C ATOM 1551 CG GLU A 102 -1.353 -2.332 4.616 1.00 0.00 C ATOM 1552 CD GLU A 102 -2.065 -0.991 4.806 1.00 0.00 C ATOM 1553 OE1 GLU A 102 -1.394 0.027 4.757 1.00 0.00 O ATOM 1554 OE2 GLU A 102 -3.271 -1.005 4.997 1.00 0.00 O ATOM 0 H GLU A 102 1.486 -4.068 5.746 1.00 0.00 H new ATOM 0 HA GLU A 102 0.200 -3.877 3.045 1.00 0.00 H new ATOM 0 HB2 GLU A 102 0.640 -1.621 5.059 1.00 0.00 H new ATOM 0 HB3 GLU A 102 0.157 -1.386 3.391 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -1.852 -2.915 3.842 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -1.402 -2.916 5.535 1.00 0.00 H new ATOM 1561 N THR A 103 2.459 -3.276 2.113 1.00 0.00 N ATOM 1562 CA THR A 103 3.842 -3.042 1.609 1.00 0.00 C ATOM 1563 C THR A 103 3.823 -1.956 0.532 1.00 0.00 C ATOM 1564 O THR A 103 2.986 -1.955 -0.350 1.00 0.00 O ATOM 1565 CB THR A 103 4.395 -4.340 1.016 1.00 0.00 C ATOM 1566 OG1 THR A 103 4.299 -5.378 1.981 1.00 0.00 O ATOM 1567 CG2 THR A 103 5.859 -4.140 0.621 1.00 0.00 C ATOM 0 H THR A 103 1.774 -3.530 1.402 1.00 0.00 H new ATOM 0 HA THR A 103 4.476 -2.719 2.434 1.00 0.00 H new ATOM 0 HB THR A 103 3.818 -4.611 0.132 1.00 0.00 H new ATOM 0 HG1 THR A 103 4.651 -6.210 1.602 1.00 0.00 H new ATOM 0 HG21 THR A 103 6.252 -5.065 0.199 1.00 0.00 H new ATOM 0 HG22 THR A 103 5.930 -3.344 -0.120 1.00 0.00 H new ATOM 0 HG23 THR A 103 6.440 -3.868 1.502 1.00 0.00 H new ATOM 1575 N LYS A 104 4.743 -1.032 0.594 1.00 0.00 N ATOM 1576 CA LYS A 104 4.784 0.051 -0.427 1.00 0.00 C ATOM 1577 C LYS A 104 6.241 0.359 -0.780 1.00 0.00 C ATOM 1578 O LYS A 104 7.052 0.637 0.081 1.00 0.00 O ATOM 1579 CB LYS A 104 4.120 1.310 0.134 1.00 0.00 C ATOM 1580 CG LYS A 104 4.054 2.379 -0.958 1.00 0.00 C ATOM 1581 CD LYS A 104 3.407 3.646 -0.394 1.00 0.00 C ATOM 1582 CE LYS A 104 3.220 4.666 -1.518 1.00 0.00 C ATOM 1583 NZ LYS A 104 3.027 6.022 -0.931 1.00 0.00 N ATOM 0 H LYS A 104 5.469 -0.981 1.309 1.00 0.00 H new ATOM 0 HA LYS A 104 4.250 -0.272 -1.321 1.00 0.00 H new ATOM 0 HB2 LYS A 104 3.117 1.077 0.491 1.00 0.00 H new ATOM 0 HB3 LYS A 104 4.685 1.682 0.989 1.00 0.00 H new ATOM 0 HG2 LYS A 104 5.056 2.602 -1.324 1.00 0.00 H new ATOM 0 HG3 LYS A 104 3.478 2.011 -1.807 1.00 0.00 H new ATOM 0 HD2 LYS A 104 2.444 3.406 0.057 1.00 0.00 H new ATOM 0 HD3 LYS A 104 4.032 4.067 0.393 1.00 0.00 H new ATOM 0 HE2 LYS A 104 4.090 4.663 -2.175 1.00 0.00 H new ATOM 0 HE3 LYS A 104 2.358 4.396 -2.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 2.900 6.716 -1.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 2.184 6.020 -0.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 3.862 6.278 -0.366 1.00 0.00 H new ATOM 1597 N LEU A 105 6.581 0.308 -2.038 1.00 0.00 N ATOM 1598 CA LEU A 105 7.986 0.594 -2.441 1.00 0.00 C ATOM 1599 C LEU A 105 8.097 2.039 -2.927 1.00 0.00 C ATOM 1600 O LEU A 105 7.325 2.490 -3.751 1.00 0.00 O ATOM 1601 CB LEU A 105 8.395 -0.352 -3.570 1.00 0.00 C ATOM 1602 CG LEU A 105 8.281 -1.801 -3.094 1.00 0.00 C ATOM 1603 CD1 LEU A 105 8.979 -2.717 -4.098 1.00 0.00 C ATOM 1604 CD2 LEU A 105 8.948 -1.945 -1.723 1.00 0.00 C ATOM 0 H LEU A 105 5.947 0.081 -2.804 1.00 0.00 H new ATOM 0 HA LEU A 105 8.644 0.447 -1.584 1.00 0.00 H new ATOM 0 HB2 LEU A 105 7.757 -0.193 -4.440 1.00 0.00 H new ATOM 0 HB3 LEU A 105 9.418 -0.141 -3.882 1.00 0.00 H new ATOM 0 HG LEU A 105 7.230 -2.077 -3.014 1.00 0.00 H new ATOM 0 HD11 LEU A 105 8.900 -3.751 -3.763 1.00 0.00 H new ATOM 0 HD12 LEU A 105 8.505 -2.615 -5.074 1.00 0.00 H new ATOM 0 HD13 LEU A 105 10.030 -2.439 -4.174 1.00 0.00 H new ATOM 0 HD21 LEU A 105 8.866 -2.978 -1.385 1.00 0.00 H new ATOM 0 HD22 LEU A 105 10.000 -1.671 -1.800 1.00 0.00 H new ATOM 0 HD23 LEU A 105 8.453 -1.289 -1.007 1.00 0.00 H new ATOM 1616 N VAL A 106 9.056 2.770 -2.428 1.00 0.00 N ATOM 1617 CA VAL A 106 9.221 4.184 -2.864 1.00 0.00 C ATOM 1618 C VAL A 106 10.689 4.441 -3.213 1.00 0.00 C ATOM 1619 O VAL A 106 11.585 3.898 -2.599 1.00 0.00 O ATOM 1620 CB VAL A 106 8.791 5.120 -1.733 1.00 0.00 C ATOM 1621 CG1 VAL A 106 8.863 6.570 -2.215 1.00 0.00 C ATOM 1622 CG2 VAL A 106 7.355 4.792 -1.319 1.00 0.00 C ATOM 0 H VAL A 106 9.733 2.448 -1.736 1.00 0.00 H new ATOM 0 HA VAL A 106 8.602 4.370 -3.742 1.00 0.00 H new ATOM 0 HB VAL A 106 9.456 4.988 -0.879 1.00 0.00 H new ATOM 0 HG11 VAL A 106 8.557 7.237 -1.409 1.00 0.00 H new ATOM 0 HG12 VAL A 106 9.885 6.805 -2.511 1.00 0.00 H new ATOM 0 HG13 VAL A 106 8.198 6.703 -3.069 1.00 0.00 H new ATOM 0 HG21 VAL A 106 7.047 5.458 -0.513 1.00 0.00 H new ATOM 0 HG22 VAL A 106 6.691 4.925 -2.173 1.00 0.00 H new ATOM 0 HG23 VAL A 106 7.302 3.759 -0.976 1.00 0.00 H new ATOM 1632 N SER A 107 10.942 5.264 -4.194 1.00 0.00 N ATOM 1633 CA SER A 107 12.353 5.552 -4.577 1.00 0.00 C ATOM 1634 C SER A 107 12.675 7.017 -4.279 1.00 0.00 C ATOM 1635 O SER A 107 11.850 7.893 -4.454 1.00 0.00 O ATOM 1636 CB SER A 107 12.541 5.283 -6.072 1.00 0.00 C ATOM 1637 OG SER A 107 11.765 6.207 -6.821 1.00 0.00 O ATOM 0 H SER A 107 10.234 5.748 -4.746 1.00 0.00 H new ATOM 0 HA SER A 107 13.022 4.910 -4.005 1.00 0.00 H new ATOM 0 HB2 SER A 107 13.594 5.375 -6.339 1.00 0.00 H new ATOM 0 HB3 SER A 107 12.240 4.263 -6.309 1.00 0.00 H new ATOM 0 HG SER A 107 11.887 6.036 -7.778 1.00 0.00 H new ATOM 1643 N ALA A 108 13.868 7.293 -3.829 1.00 0.00 N ATOM 1644 CA ALA A 108 14.242 8.702 -3.519 1.00 0.00 C ATOM 1645 C ALA A 108 15.230 9.210 -4.570 1.00 0.00 C ATOM 1646 O ALA A 108 15.769 8.449 -5.349 1.00 0.00 O ATOM 1647 CB ALA A 108 14.892 8.765 -2.135 1.00 0.00 C ATOM 0 H ALA A 108 14.601 6.603 -3.662 1.00 0.00 H new ATOM 0 HA ALA A 108 13.348 9.326 -3.529 1.00 0.00 H new ATOM 0 HB1 ALA A 108 15.166 9.795 -1.908 1.00 0.00 H new ATOM 0 HB2 ALA A 108 14.188 8.403 -1.386 1.00 0.00 H new ATOM 0 HB3 ALA A 108 15.786 8.141 -2.124 1.00 0.00 H new ATOM 1653 N PRO A 109 15.469 10.531 -4.589 1.00 0.00 N ATOM 1654 CA PRO A 109 16.393 11.156 -5.543 1.00 0.00 C ATOM 1655 C PRO A 109 17.850 10.790 -5.248 1.00 0.00 C ATOM 1656 O PRO A 109 18.727 10.984 -6.066 1.00 0.00 O ATOM 1657 CB PRO A 109 16.176 12.653 -5.323 1.00 0.00 C ATOM 1658 CG PRO A 109 15.666 12.757 -3.925 1.00 0.00 C ATOM 1659 CD PRO A 109 14.858 11.515 -3.679 1.00 0.00 C ATOM 0 HA PRO A 109 16.206 10.830 -6.566 1.00 0.00 H new ATOM 0 HB2 PRO A 109 17.104 13.211 -5.449 1.00 0.00 H new ATOM 0 HB3 PRO A 109 15.460 13.059 -6.038 1.00 0.00 H new ATOM 0 HG2 PRO A 109 16.490 12.832 -3.215 1.00 0.00 H new ATOM 0 HG3 PRO A 109 15.054 13.650 -3.799 1.00 0.00 H new ATOM 0 HD2 PRO A 109 14.919 11.194 -2.639 1.00 0.00 H new ATOM 0 HD3 PRO A 109 13.803 11.670 -3.903 1.00 0.00 H new ATOM 1667 N HIS A 110 18.115 10.258 -4.086 1.00 0.00 N ATOM 1668 CA HIS A 110 19.514 9.878 -3.741 1.00 0.00 C ATOM 1669 C HIS A 110 19.924 8.654 -4.562 1.00 0.00 C ATOM 1670 O HIS A 110 21.092 8.340 -4.685 1.00 0.00 O ATOM 1671 CB HIS A 110 19.601 9.544 -2.250 1.00 0.00 C ATOM 1672 CG HIS A 110 19.195 10.745 -1.441 1.00 0.00 C ATOM 1673 ND1 HIS A 110 20.016 11.852 -1.300 1.00 0.00 N ATOM 1674 CD2 HIS A 110 18.060 11.026 -0.724 1.00 0.00 C ATOM 1675 CE1 HIS A 110 19.368 12.741 -0.524 1.00 0.00 C ATOM 1676 NE2 HIS A 110 18.170 12.287 -0.145 1.00 0.00 N ATOM 0 H HIS A 110 17.423 10.070 -3.361 1.00 0.00 H new ATOM 0 HA HIS A 110 20.183 10.709 -3.965 1.00 0.00 H new ATOM 0 HB2 HIS A 110 18.952 8.700 -2.017 1.00 0.00 H new ATOM 0 HB3 HIS A 110 20.617 9.246 -1.992 1.00 0.00 H new ATOM 0 HD2 HIS A 110 17.209 10.368 -0.624 1.00 0.00 H new ATOM 0 HE1 HIS A 110 19.768 13.704 -0.242 1.00 0.00 H new ATOM 0 HE2 HIS A 110 17.484 12.762 0.442 1.00 0.00 H new ATOM 1684 N GLY A 111 18.973 7.961 -5.124 1.00 0.00 N ATOM 1685 CA GLY A 111 19.309 6.757 -5.936 1.00 0.00 C ATOM 1686 C GLY A 111 18.920 5.496 -5.162 1.00 0.00 C ATOM 1687 O GLY A 111 18.816 4.422 -5.720 1.00 0.00 O ATOM 0 H GLY A 111 17.978 8.176 -5.057 1.00 0.00 H new ATOM 0 HA2 GLY A 111 18.781 6.789 -6.889 1.00 0.00 H new ATOM 0 HA3 GLY A 111 20.375 6.744 -6.162 1.00 0.00 H new ATOM 1691 N GLY A 112 18.707 5.617 -3.881 1.00 0.00 N ATOM 1692 CA GLY A 112 18.327 4.423 -3.073 1.00 0.00 C ATOM 1693 C GLY A 112 16.813 4.215 -3.149 1.00 0.00 C ATOM 1694 O GLY A 112 16.091 5.026 -3.694 1.00 0.00 O ATOM 0 H GLY A 112 18.779 6.490 -3.359 1.00 0.00 H new ATOM 0 HA2 GLY A 112 18.845 3.539 -3.445 1.00 0.00 H new ATOM 0 HA3 GLY A 112 18.634 4.560 -2.036 1.00 0.00 H new ATOM 1698 N THR A 113 16.327 3.131 -2.607 1.00 0.00 N ATOM 1699 CA THR A 113 14.860 2.871 -2.648 1.00 0.00 C ATOM 1700 C THR A 113 14.316 2.784 -1.221 1.00 0.00 C ATOM 1701 O THR A 113 14.755 1.975 -0.428 1.00 0.00 O ATOM 1702 CB THR A 113 14.598 1.550 -3.375 1.00 0.00 C ATOM 1703 OG1 THR A 113 15.026 1.663 -4.726 1.00 0.00 O ATOM 1704 CG2 THR A 113 13.103 1.231 -3.336 1.00 0.00 C ATOM 0 H THR A 113 16.882 2.415 -2.138 1.00 0.00 H new ATOM 0 HA THR A 113 14.362 3.683 -3.177 1.00 0.00 H new ATOM 0 HB THR A 113 15.150 0.749 -2.884 1.00 0.00 H new ATOM 0 HG1 THR A 113 15.854 1.154 -4.851 1.00 0.00 H new ATOM 0 HG21 THR A 113 12.918 0.290 -3.854 1.00 0.00 H new ATOM 0 HG22 THR A 113 12.776 1.145 -2.300 1.00 0.00 H new ATOM 0 HG23 THR A 113 12.547 2.030 -3.826 1.00 0.00 H new ATOM 1712 N ILE A 114 13.364 3.611 -0.888 1.00 0.00 N ATOM 1713 CA ILE A 114 12.792 3.576 0.487 1.00 0.00 C ATOM 1714 C ILE A 114 11.572 2.654 0.508 1.00 0.00 C ATOM 1715 O ILE A 114 10.721 2.716 -0.358 1.00 0.00 O ATOM 1716 CB ILE A 114 12.373 4.988 0.901 1.00 0.00 C ATOM 1717 CG1 ILE A 114 13.564 5.938 0.755 1.00 0.00 C ATOM 1718 CG2 ILE A 114 11.907 4.975 2.357 1.00 0.00 C ATOM 1719 CD1 ILE A 114 13.102 7.375 0.997 1.00 0.00 C ATOM 0 H ILE A 114 12.957 4.310 -1.509 1.00 0.00 H new ATOM 0 HA ILE A 114 13.542 3.201 1.184 1.00 0.00 H new ATOM 0 HB ILE A 114 11.558 5.327 0.261 1.00 0.00 H new ATOM 0 HG12 ILE A 114 14.345 5.671 1.467 1.00 0.00 H new ATOM 0 HG13 ILE A 114 13.996 5.846 -0.242 1.00 0.00 H new ATOM 0 HG21 ILE A 114 11.608 5.981 2.652 1.00 0.00 H new ATOM 0 HG22 ILE A 114 11.058 4.299 2.461 1.00 0.00 H new ATOM 0 HG23 ILE A 114 12.722 4.636 2.997 1.00 0.00 H new ATOM 0 HD11 ILE A 114 13.950 8.052 0.893 1.00 0.00 H new ATOM 0 HD12 ILE A 114 12.336 7.638 0.268 1.00 0.00 H new ATOM 0 HD13 ILE A 114 12.691 7.460 2.003 1.00 0.00 H new ATOM 1731 N ILE A 115 11.479 1.796 1.487 1.00 0.00 N ATOM 1732 CA ILE A 115 10.313 0.871 1.559 1.00 0.00 C ATOM 1733 C ILE A 115 9.523 1.141 2.841 1.00 0.00 C ATOM 1734 O ILE A 115 10.078 1.216 3.920 1.00 0.00 O ATOM 1735 CB ILE A 115 10.811 -0.576 1.563 1.00 0.00 C ATOM 1736 CG1 ILE A 115 11.766 -0.792 0.389 1.00 0.00 C ATOM 1737 CG2 ILE A 115 9.619 -1.526 1.432 1.00 0.00 C ATOM 1738 CD1 ILE A 115 12.628 -2.028 0.653 1.00 0.00 C ATOM 0 H ILE A 115 12.160 1.696 2.240 1.00 0.00 H new ATOM 0 HA ILE A 115 9.668 1.033 0.695 1.00 0.00 H new ATOM 0 HB ILE A 115 11.335 -0.776 2.498 1.00 0.00 H new ATOM 0 HG12 ILE A 115 11.201 -0.920 -0.534 1.00 0.00 H new ATOM 0 HG13 ILE A 115 12.400 0.085 0.256 1.00 0.00 H new ATOM 0 HG21 ILE A 115 9.973 -2.557 1.435 1.00 0.00 H new ATOM 0 HG22 ILE A 115 8.939 -1.374 2.270 1.00 0.00 H new ATOM 0 HG23 ILE A 115 9.095 -1.325 0.498 1.00 0.00 H new ATOM 0 HD11 ILE A 115 13.309 -2.182 -0.184 1.00 0.00 H new ATOM 0 HD12 ILE A 115 13.204 -1.882 1.567 1.00 0.00 H new ATOM 0 HD13 ILE A 115 11.986 -2.902 0.764 1.00 0.00 H new ATOM 1750 N LYS A 116 8.230 1.286 2.734 1.00 0.00 N ATOM 1751 CA LYS A 116 7.406 1.548 3.948 1.00 0.00 C ATOM 1752 C LYS A 116 6.529 0.329 4.237 1.00 0.00 C ATOM 1753 O LYS A 116 5.843 -0.175 3.370 1.00 0.00 O ATOM 1754 CB LYS A 116 6.516 2.770 3.706 1.00 0.00 C ATOM 1755 CG LYS A 116 7.391 4.016 3.552 1.00 0.00 C ATOM 1756 CD LYS A 116 6.500 5.256 3.453 1.00 0.00 C ATOM 1757 CE LYS A 116 7.373 6.497 3.259 1.00 0.00 C ATOM 1758 NZ LYS A 116 6.615 7.523 2.489 1.00 0.00 N ATOM 0 H LYS A 116 7.709 1.234 1.859 1.00 0.00 H new ATOM 0 HA LYS A 116 8.060 1.738 4.799 1.00 0.00 H new ATOM 0 HB2 LYS A 116 5.914 2.623 2.810 1.00 0.00 H new ATOM 0 HB3 LYS A 116 5.824 2.899 4.538 1.00 0.00 H new ATOM 0 HG2 LYS A 116 8.066 4.107 4.403 1.00 0.00 H new ATOM 0 HG3 LYS A 116 8.012 3.929 2.661 1.00 0.00 H new ATOM 0 HD2 LYS A 116 5.806 5.153 2.619 1.00 0.00 H new ATOM 0 HD3 LYS A 116 5.899 5.358 4.357 1.00 0.00 H new ATOM 0 HE2 LYS A 116 7.671 6.900 4.227 1.00 0.00 H new ATOM 0 HE3 LYS A 116 8.288 6.232 2.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 7.209 8.367 2.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 6.352 7.136 1.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 5.754 7.783 3.012 1.00 0.00 H new ATOM 1772 N THR A 117 6.547 -0.153 5.451 1.00 0.00 N ATOM 1773 CA THR A 117 5.716 -1.342 5.791 1.00 0.00 C ATOM 1774 C THR A 117 4.816 -1.017 6.986 1.00 0.00 C ATOM 1775 O THR A 117 5.270 -0.543 8.008 1.00 0.00 O ATOM 1776 CB THR A 117 6.629 -2.517 6.148 1.00 0.00 C ATOM 1777 OG1 THR A 117 7.540 -2.748 5.082 1.00 0.00 O ATOM 1778 CG2 THR A 117 5.785 -3.770 6.382 1.00 0.00 C ATOM 0 H THR A 117 7.100 0.225 6.220 1.00 0.00 H new ATOM 0 HA THR A 117 5.098 -1.607 4.933 1.00 0.00 H new ATOM 0 HB THR A 117 7.184 -2.283 7.056 1.00 0.00 H new ATOM 0 HG1 THR A 117 7.730 -3.707 5.016 1.00 0.00 H new ATOM 0 HG21 THR A 117 6.437 -4.606 6.636 1.00 0.00 H new ATOM 0 HG22 THR A 117 5.088 -3.592 7.201 1.00 0.00 H new ATOM 0 HG23 THR A 117 5.227 -4.007 5.476 1.00 0.00 H new ATOM 1786 N THR A 118 3.541 -1.272 6.864 1.00 0.00 N ATOM 1787 CA THR A 118 2.611 -0.983 7.991 1.00 0.00 C ATOM 1788 C THR A 118 2.018 -2.295 8.508 1.00 0.00 C ATOM 1789 O THR A 118 1.623 -3.152 7.741 1.00 0.00 O ATOM 1790 CB THR A 118 1.483 -0.071 7.502 1.00 0.00 C ATOM 1791 OG1 THR A 118 2.043 1.086 6.896 1.00 0.00 O ATOM 1792 CG2 THR A 118 0.608 0.344 8.686 1.00 0.00 C ATOM 0 H THR A 118 3.104 -1.668 6.032 1.00 0.00 H new ATOM 0 HA THR A 118 3.155 -0.487 8.794 1.00 0.00 H new ATOM 0 HB THR A 118 0.873 -0.606 6.774 1.00 0.00 H new ATOM 0 HG1 THR A 118 1.323 1.671 6.580 1.00 0.00 H new ATOM 0 HG21 THR A 118 -0.194 0.993 8.336 1.00 0.00 H new ATOM 0 HG22 THR A 118 0.179 -0.544 9.151 1.00 0.00 H new ATOM 0 HG23 THR A 118 1.215 0.879 9.417 1.00 0.00 H new ATOM 1800 N SER A 119 1.957 -2.464 9.800 1.00 0.00 N ATOM 1801 CA SER A 119 1.394 -3.726 10.358 1.00 0.00 C ATOM 1802 C SER A 119 0.231 -3.401 11.296 1.00 0.00 C ATOM 1803 O SER A 119 0.277 -2.454 12.057 1.00 0.00 O ATOM 1804 CB SER A 119 2.482 -4.469 11.135 1.00 0.00 C ATOM 1805 OG SER A 119 2.862 -3.702 12.268 1.00 0.00 O ATOM 0 H SER A 119 2.272 -1.784 10.492 1.00 0.00 H new ATOM 0 HA SER A 119 1.035 -4.353 9.542 1.00 0.00 H new ATOM 0 HB2 SER A 119 2.116 -5.446 11.450 1.00 0.00 H new ATOM 0 HB3 SER A 119 3.346 -4.644 10.494 1.00 0.00 H new ATOM 0 HG SER A 119 3.558 -4.178 12.767 1.00 0.00 H new ATOM 1811 N LYS A 120 -0.813 -4.183 11.251 1.00 0.00 N ATOM 1812 CA LYS A 120 -1.981 -3.928 12.140 1.00 0.00 C ATOM 1813 C LYS A 120 -2.297 -5.199 12.933 1.00 0.00 C ATOM 1814 O LYS A 120 -2.245 -6.295 12.409 1.00 0.00 O ATOM 1815 CB LYS A 120 -3.194 -3.541 11.292 1.00 0.00 C ATOM 1816 CG LYS A 120 -4.269 -2.927 12.190 1.00 0.00 C ATOM 1817 CD LYS A 120 -5.383 -2.336 11.322 1.00 0.00 C ATOM 1818 CE LYS A 120 -6.179 -3.470 10.674 1.00 0.00 C ATOM 1819 NZ LYS A 120 -6.544 -3.087 9.281 1.00 0.00 N ATOM 0 H LYS A 120 -0.907 -4.990 10.635 1.00 0.00 H new ATOM 0 HA LYS A 120 -1.747 -3.115 12.828 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -2.900 -2.830 10.520 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -3.589 -4.419 10.782 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -4.677 -3.686 12.857 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -3.833 -2.151 12.819 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -6.042 -1.716 11.930 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -4.957 -1.691 10.554 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -5.588 -4.386 10.668 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -7.079 -3.675 11.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -7.364 -3.646 8.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -6.783 -2.075 9.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -5.740 -3.272 8.648 1.00 0.00 H new ATOM 1833 N TYR A 121 -2.621 -5.065 14.190 1.00 0.00 N ATOM 1834 CA TYR A 121 -2.934 -6.271 15.008 1.00 0.00 C ATOM 1835 C TYR A 121 -4.342 -6.140 15.591 1.00 0.00 C ATOM 1836 O TYR A 121 -4.724 -5.100 16.087 1.00 0.00 O ATOM 1837 CB TYR A 121 -1.921 -6.389 16.148 1.00 0.00 C ATOM 1838 CG TYR A 121 -0.567 -6.748 15.584 1.00 0.00 C ATOM 1839 CD1 TYR A 121 0.241 -5.755 15.019 1.00 0.00 C ATOM 1840 CD2 TYR A 121 -0.120 -8.074 15.627 1.00 0.00 C ATOM 1841 CE1 TYR A 121 1.497 -6.087 14.497 1.00 0.00 C ATOM 1842 CE2 TYR A 121 1.135 -8.406 15.104 1.00 0.00 C ATOM 1843 CZ TYR A 121 1.944 -7.412 14.539 1.00 0.00 C ATOM 1844 OH TYR A 121 3.182 -7.741 14.025 1.00 0.00 O ATOM 0 H TYR A 121 -2.682 -4.175 14.685 1.00 0.00 H new ATOM 0 HA TYR A 121 -2.882 -7.160 14.380 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -1.861 -5.448 16.694 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -2.244 -7.150 16.858 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -0.104 -4.732 14.986 1.00 0.00 H new ATOM 0 HD2 TYR A 121 -0.743 -8.840 16.064 1.00 0.00 H new ATOM 0 HE1 TYR A 121 2.121 -5.320 14.062 1.00 0.00 H new ATOM 0 HE2 TYR A 121 1.480 -9.429 15.136 1.00 0.00 H new ATOM 0 HH TYR A 121 3.337 -8.702 14.136 1.00 0.00 H new ATOM 1854 N HIS A 122 -5.115 -7.187 15.535 1.00 0.00 N ATOM 1855 CA HIS A 122 -6.497 -7.123 16.086 1.00 0.00 C ATOM 1856 C HIS A 122 -6.693 -8.251 17.101 1.00 0.00 C ATOM 1857 O HIS A 122 -5.748 -8.884 17.528 1.00 0.00 O ATOM 1858 CB HIS A 122 -7.507 -7.278 14.948 1.00 0.00 C ATOM 1859 CG HIS A 122 -8.048 -5.927 14.566 1.00 0.00 C ATOM 1860 ND1 HIS A 122 -9.227 -5.293 14.868 1.00 0.00 N flip ATOM 1861 CD2 HIS A 122 -7.342 -5.050 13.758 1.00 0.00 C flip ATOM 1862 CE1 HIS A 122 -9.255 -4.042 14.259 1.00 0.00 C flip ATOM 1863 NE2 HIS A 122 -8.095 -3.946 13.604 1.00 0.00 N flip ATOM 0 H HIS A 122 -4.850 -8.085 15.131 1.00 0.00 H new ATOM 0 HA HIS A 122 -6.649 -6.162 16.577 1.00 0.00 H new ATOM 0 HB2 HIS A 122 -7.031 -7.747 14.087 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -8.321 -7.933 15.258 1.00 0.00 H new ATOM 0 HD1 HIS A 122 -9.970 -5.680 15.450 1.00 0.00 H new ATOM 0 HD2 HIS A 122 -6.365 -5.222 13.330 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -10.045 -3.307 14.306 1.00 0.00 H new ATOM 1871 N THR A 123 -7.910 -8.508 17.492 1.00 0.00 N ATOM 1872 CA THR A 123 -8.160 -9.594 18.479 1.00 0.00 C ATOM 1873 C THR A 123 -9.354 -10.438 18.028 1.00 0.00 C ATOM 1874 O THR A 123 -10.235 -9.966 17.337 1.00 0.00 O ATOM 1875 CB THR A 123 -8.456 -8.977 19.847 1.00 0.00 C ATOM 1876 OG1 THR A 123 -9.620 -8.167 19.758 1.00 0.00 O ATOM 1877 CG2 THR A 123 -7.268 -8.120 20.289 1.00 0.00 C ATOM 0 H THR A 123 -8.742 -8.013 17.171 1.00 0.00 H new ATOM 0 HA THR A 123 -7.278 -10.230 18.548 1.00 0.00 H new ATOM 0 HB THR A 123 -8.621 -9.770 20.576 1.00 0.00 H new ATOM 0 HG1 THR A 123 -9.812 -7.772 20.634 1.00 0.00 H new ATOM 0 HG21 THR A 123 -7.479 -7.680 21.264 1.00 0.00 H new ATOM 0 HG22 THR A 123 -6.376 -8.742 20.357 1.00 0.00 H new ATOM 0 HG23 THR A 123 -7.102 -7.326 19.561 1.00 0.00 H new ATOM 2169 N ALA A 142 10.489 -6.833 9.984 1.00 0.00 N ATOM 2170 CA ALA A 142 11.582 -5.891 9.614 1.00 0.00 C ATOM 2171 C ALA A 142 12.879 -6.673 9.397 1.00 0.00 C ATOM 2172 O ALA A 142 13.641 -6.393 8.493 1.00 0.00 O ATOM 2173 CB ALA A 142 11.783 -4.875 10.741 1.00 0.00 C ATOM 0 HA ALA A 142 11.315 -5.368 8.696 1.00 0.00 H new ATOM 0 HB1 ALA A 142 12.583 -4.185 10.471 1.00 0.00 H new ATOM 0 HB2 ALA A 142 10.860 -4.317 10.897 1.00 0.00 H new ATOM 0 HB3 ALA A 142 12.050 -5.398 11.659 1.00 0.00 H new ATOM 2179 N HIS A 143 13.137 -7.652 10.221 1.00 0.00 N ATOM 2180 CA HIS A 143 14.385 -8.451 10.061 1.00 0.00 C ATOM 2181 C HIS A 143 14.393 -9.117 8.684 1.00 0.00 C ATOM 2182 O HIS A 143 15.391 -9.121 7.991 1.00 0.00 O ATOM 2183 CB HIS A 143 14.444 -9.527 11.147 1.00 0.00 C ATOM 2184 CG HIS A 143 15.741 -10.280 11.035 1.00 0.00 C ATOM 2185 ND1 HIS A 143 16.993 -10.032 11.541 1.00 0.00 N flip ATOM 2186 CD2 HIS A 143 15.849 -11.464 10.322 1.00 0.00 C flip ATOM 2187 CE1 HIS A 143 17.866 -11.042 11.148 1.00 0.00 C flip ATOM 2188 NE2 HIS A 143 17.126 -11.880 10.416 1.00 0.00 N flip ATOM 0 H HIS A 143 12.538 -7.933 10.997 1.00 0.00 H new ATOM 0 HA HIS A 143 15.250 -7.794 10.152 1.00 0.00 H new ATOM 0 HB2 HIS A 143 14.361 -9.069 12.133 1.00 0.00 H new ATOM 0 HB3 HIS A 143 13.603 -10.212 11.042 1.00 0.00 H new ATOM 0 HD2 HIS A 143 15.053 -11.962 9.788 1.00 0.00 H new ATOM 0 HE1 HIS A 143 18.916 -11.130 11.384 1.00 0.00 H new ATOM 0 HE2 HIS A 143 17.485 -12.730 9.982 1.00 0.00 H new ATOM 2196 N LEU A 144 13.287 -9.680 8.280 1.00 0.00 N ATOM 2197 CA LEU A 144 13.232 -10.345 6.948 1.00 0.00 C ATOM 2198 C LEU A 144 13.568 -9.327 5.856 1.00 0.00 C ATOM 2199 O LEU A 144 14.304 -9.614 4.932 1.00 0.00 O ATOM 2200 CB LEU A 144 11.827 -10.901 6.713 1.00 0.00 C ATOM 2201 CG LEU A 144 11.491 -11.916 7.808 1.00 0.00 C ATOM 2202 CD1 LEU A 144 10.153 -12.585 7.490 1.00 0.00 C ATOM 2203 CD2 LEU A 144 12.590 -12.979 7.873 1.00 0.00 C ATOM 0 H LEU A 144 12.419 -9.708 8.815 1.00 0.00 H new ATOM 0 HA LEU A 144 13.954 -11.161 6.919 1.00 0.00 H new ATOM 0 HB2 LEU A 144 11.098 -10.091 6.717 1.00 0.00 H new ATOM 0 HB3 LEU A 144 11.771 -11.375 5.733 1.00 0.00 H new ATOM 0 HG LEU A 144 11.423 -11.405 8.768 1.00 0.00 H new ATOM 0 HD11 LEU A 144 9.913 -13.308 8.270 1.00 0.00 H new ATOM 0 HD12 LEU A 144 9.370 -11.828 7.444 1.00 0.00 H new ATOM 0 HD13 LEU A 144 10.221 -13.096 6.530 1.00 0.00 H new ATOM 0 HD21 LEU A 144 12.351 -13.702 8.653 1.00 0.00 H new ATOM 0 HD22 LEU A 144 12.659 -13.490 6.913 1.00 0.00 H new ATOM 0 HD23 LEU A 144 13.544 -12.503 8.100 1.00 0.00 H new ATOM 2215 N PHE A 145 13.034 -8.141 5.952 1.00 0.00 N ATOM 2216 CA PHE A 145 13.324 -7.108 4.917 1.00 0.00 C ATOM 2217 C PHE A 145 14.837 -6.939 4.776 1.00 0.00 C ATOM 2218 O PHE A 145 15.352 -6.756 3.691 1.00 0.00 O ATOM 2219 CB PHE A 145 12.701 -5.775 5.339 1.00 0.00 C ATOM 2220 CG PHE A 145 11.223 -5.790 5.030 1.00 0.00 C ATOM 2221 CD1 PHE A 145 10.781 -5.637 3.710 1.00 0.00 C ATOM 2222 CD2 PHE A 145 10.293 -5.956 6.064 1.00 0.00 C ATOM 2223 CE1 PHE A 145 9.411 -5.650 3.424 1.00 0.00 C ATOM 2224 CE2 PHE A 145 8.922 -5.969 5.778 1.00 0.00 C ATOM 2225 CZ PHE A 145 8.481 -5.816 4.458 1.00 0.00 C ATOM 0 H PHE A 145 12.410 -7.842 6.701 1.00 0.00 H new ATOM 0 HA PHE A 145 12.902 -7.422 3.962 1.00 0.00 H new ATOM 0 HB2 PHE A 145 12.859 -5.609 6.405 1.00 0.00 H new ATOM 0 HB3 PHE A 145 13.185 -4.952 4.813 1.00 0.00 H new ATOM 0 HD1 PHE A 145 11.498 -5.509 2.912 1.00 0.00 H new ATOM 0 HD2 PHE A 145 10.633 -6.074 7.082 1.00 0.00 H new ATOM 0 HE1 PHE A 145 9.071 -5.532 2.406 1.00 0.00 H new ATOM 0 HE2 PHE A 145 8.205 -6.097 6.576 1.00 0.00 H new ATOM 0 HZ PHE A 145 7.424 -5.826 4.237 1.00 0.00 H new ATOM 2235 N LYS A 146 15.554 -6.996 5.864 1.00 0.00 N ATOM 2236 CA LYS A 146 17.033 -6.837 5.793 1.00 0.00 C ATOM 2237 C LYS A 146 17.626 -7.955 4.932 1.00 0.00 C ATOM 2238 O LYS A 146 18.551 -7.743 4.173 1.00 0.00 O ATOM 2239 CB LYS A 146 17.623 -6.911 7.202 1.00 0.00 C ATOM 2240 CG LYS A 146 19.121 -6.606 7.145 1.00 0.00 C ATOM 2241 CD LYS A 146 19.726 -6.753 8.543 1.00 0.00 C ATOM 2242 CE LYS A 146 21.180 -6.276 8.520 1.00 0.00 C ATOM 2243 NZ LYS A 146 22.088 -7.447 8.683 1.00 0.00 N ATOM 0 H LYS A 146 15.179 -7.146 6.800 1.00 0.00 H new ATOM 0 HA LYS A 146 17.273 -5.871 5.349 1.00 0.00 H new ATOM 0 HB2 LYS A 146 17.121 -6.198 7.856 1.00 0.00 H new ATOM 0 HB3 LYS A 146 17.459 -7.902 7.625 1.00 0.00 H new ATOM 0 HG2 LYS A 146 19.615 -7.285 6.450 1.00 0.00 H new ATOM 0 HG3 LYS A 146 19.283 -5.595 6.772 1.00 0.00 H new ATOM 0 HD2 LYS A 146 19.152 -6.170 9.263 1.00 0.00 H new ATOM 0 HD3 LYS A 146 19.678 -7.793 8.865 1.00 0.00 H new ATOM 0 HE2 LYS A 146 21.392 -5.766 7.581 1.00 0.00 H new ATOM 0 HE3 LYS A 146 21.351 -5.555 9.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 23.077 -7.125 8.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 21.891 -7.916 9.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 21.931 -8.119 7.905 1.00 0.00 H new ATOM 2257 N LEU A 147 17.103 -9.145 5.045 1.00 0.00 N ATOM 2258 CA LEU A 147 17.640 -10.273 4.233 1.00 0.00 C ATOM 2259 C LEU A 147 17.278 -10.060 2.761 1.00 0.00 C ATOM 2260 O LEU A 147 17.987 -10.480 1.870 1.00 0.00 O ATOM 2261 CB LEU A 147 17.032 -11.590 4.721 1.00 0.00 C ATOM 2262 CG LEU A 147 17.603 -11.940 6.098 1.00 0.00 C ATOM 2263 CD1 LEU A 147 19.128 -11.821 6.065 1.00 0.00 C ATOM 2264 CD2 LEU A 147 17.037 -10.978 7.144 1.00 0.00 C ATOM 0 H LEU A 147 16.328 -9.385 5.664 1.00 0.00 H new ATOM 0 HA LEU A 147 18.724 -10.312 4.340 1.00 0.00 H new ATOM 0 HB2 LEU A 147 15.947 -11.502 4.778 1.00 0.00 H new ATOM 0 HB3 LEU A 147 17.251 -12.388 4.012 1.00 0.00 H new ATOM 0 HG LEU A 147 17.326 -12.962 6.357 1.00 0.00 H new ATOM 0 HD11 LEU A 147 19.534 -12.070 7.045 1.00 0.00 H new ATOM 0 HD12 LEU A 147 19.531 -12.508 5.320 1.00 0.00 H new ATOM 0 HD13 LEU A 147 19.408 -10.800 5.805 1.00 0.00 H new ATOM 0 HD21 LEU A 147 17.443 -11.227 8.124 1.00 0.00 H new ATOM 0 HD22 LEU A 147 17.313 -9.956 6.885 1.00 0.00 H new ATOM 0 HD23 LEU A 147 15.951 -11.065 7.168 1.00 0.00 H new ATOM 2276 N ILE A 148 16.177 -9.409 2.500 1.00 0.00 N ATOM 2277 CA ILE A 148 15.771 -9.169 1.086 1.00 0.00 C ATOM 2278 C ILE A 148 16.847 -8.340 0.382 1.00 0.00 C ATOM 2279 O ILE A 148 17.226 -8.621 -0.739 1.00 0.00 O ATOM 2280 CB ILE A 148 14.442 -8.412 1.059 1.00 0.00 C ATOM 2281 CG1 ILE A 148 13.386 -9.206 1.829 1.00 0.00 C ATOM 2282 CG2 ILE A 148 13.989 -8.234 -0.391 1.00 0.00 C ATOM 2283 CD1 ILE A 148 13.357 -10.647 1.317 1.00 0.00 C ATOM 0 H ILE A 148 15.542 -9.033 3.204 1.00 0.00 H new ATOM 0 HA ILE A 148 15.654 -10.124 0.573 1.00 0.00 H new ATOM 0 HB ILE A 148 14.570 -7.434 1.524 1.00 0.00 H new ATOM 0 HG12 ILE A 148 13.611 -9.192 2.895 1.00 0.00 H new ATOM 0 HG13 ILE A 148 12.406 -8.745 1.704 1.00 0.00 H new ATOM 0 HG21 ILE A 148 13.042 -7.695 -0.413 1.00 0.00 H new ATOM 0 HG22 ILE A 148 14.741 -7.668 -0.940 1.00 0.00 H new ATOM 0 HG23 ILE A 148 13.860 -9.212 -0.855 1.00 0.00 H new ATOM 0 HD11 ILE A 148 12.604 -11.213 1.866 1.00 0.00 H new ATOM 0 HD12 ILE A 148 13.111 -10.651 0.255 1.00 0.00 H new ATOM 0 HD13 ILE A 148 14.335 -11.105 1.465 1.00 0.00 H new ATOM 2295 N GLU A 149 17.341 -7.318 1.027 1.00 0.00 N ATOM 2296 CA GLU A 149 18.392 -6.473 0.392 1.00 0.00 C ATOM 2297 C GLU A 149 19.685 -7.279 0.263 1.00 0.00 C ATOM 2298 O GLU A 149 20.314 -7.300 -0.776 1.00 0.00 O ATOM 2299 CB GLU A 149 18.645 -5.238 1.258 1.00 0.00 C ATOM 2300 CG GLU A 149 19.670 -4.334 0.568 1.00 0.00 C ATOM 2301 CD GLU A 149 19.880 -3.070 1.404 1.00 0.00 C ATOM 2302 OE1 GLU A 149 19.328 -3.003 2.491 1.00 0.00 O ATOM 2303 OE2 GLU A 149 20.591 -2.191 0.945 1.00 0.00 O ATOM 0 H GLU A 149 17.062 -7.032 1.966 1.00 0.00 H new ATOM 0 HA GLU A 149 18.059 -6.161 -0.598 1.00 0.00 H new ATOM 0 HB2 GLU A 149 17.713 -4.695 1.417 1.00 0.00 H new ATOM 0 HB3 GLU A 149 19.011 -5.538 2.240 1.00 0.00 H new ATOM 0 HG2 GLU A 149 20.615 -4.864 0.447 1.00 0.00 H new ATOM 0 HG3 GLU A 149 19.323 -4.069 -0.431 1.00 0.00 H new ATOM 2310 N GLY A 150 20.088 -7.944 1.311 1.00 0.00 N ATOM 2311 CA GLY A 150 21.341 -8.748 1.247 1.00 0.00 C ATOM 2312 C GLY A 150 21.126 -9.952 0.329 1.00 0.00 C ATOM 2313 O GLY A 150 22.040 -10.423 -0.319 1.00 0.00 O ATOM 0 H GLY A 150 19.604 -7.965 2.209 1.00 0.00 H new ATOM 0 HA2 GLY A 150 22.161 -8.134 0.874 1.00 0.00 H new ATOM 0 HA3 GLY A 150 21.622 -9.084 2.245 1.00 0.00 H new ATOM 2317 N TYR A 151 19.923 -10.456 0.269 1.00 0.00 N ATOM 2318 CA TYR A 151 19.650 -11.630 -0.608 1.00 0.00 C ATOM 2319 C TYR A 151 19.890 -11.241 -2.068 1.00 0.00 C ATOM 2320 O TYR A 151 20.568 -11.934 -2.801 1.00 0.00 O ATOM 2321 CB TYR A 151 18.197 -12.073 -0.430 1.00 0.00 C ATOM 2322 CG TYR A 151 17.957 -13.341 -1.214 1.00 0.00 C ATOM 2323 CD1 TYR A 151 18.196 -14.585 -0.620 1.00 0.00 C ATOM 2324 CD2 TYR A 151 17.497 -13.271 -2.534 1.00 0.00 C ATOM 2325 CE1 TYR A 151 17.974 -15.761 -1.347 1.00 0.00 C ATOM 2326 CE2 TYR A 151 17.275 -14.446 -3.261 1.00 0.00 C ATOM 2327 CZ TYR A 151 17.514 -15.692 -2.667 1.00 0.00 C ATOM 2328 OH TYR A 151 17.295 -16.850 -3.385 1.00 0.00 O ATOM 0 H TYR A 151 19.118 -10.106 0.789 1.00 0.00 H new ATOM 0 HA TYR A 151 20.315 -12.450 -0.336 1.00 0.00 H new ATOM 0 HB2 TYR A 151 17.983 -12.240 0.626 1.00 0.00 H new ATOM 0 HB3 TYR A 151 17.522 -11.288 -0.772 1.00 0.00 H new ATOM 0 HD1 TYR A 151 18.551 -14.638 0.398 1.00 0.00 H new ATOM 0 HD2 TYR A 151 17.313 -12.310 -2.992 1.00 0.00 H new ATOM 0 HE1 TYR A 151 18.158 -16.722 -0.889 1.00 0.00 H new ATOM 0 HE2 TYR A 151 16.920 -14.392 -4.279 1.00 0.00 H new ATOM 0 HH TYR A 151 16.976 -16.623 -4.283 1.00 0.00 H new ATOM 2338 N LEU A 152 19.339 -10.139 -2.497 1.00 0.00 N ATOM 2339 CA LEU A 152 19.537 -9.708 -3.909 1.00 0.00 C ATOM 2340 C LEU A 152 21.027 -9.468 -4.164 1.00 0.00 C ATOM 2341 O LEU A 152 21.564 -9.862 -5.180 1.00 0.00 O ATOM 2342 CB LEU A 152 18.761 -8.414 -4.162 1.00 0.00 C ATOM 2343 CG LEU A 152 17.274 -8.649 -3.889 1.00 0.00 C ATOM 2344 CD1 LEU A 152 16.480 -7.398 -4.270 1.00 0.00 C ATOM 2345 CD2 LEU A 152 16.784 -9.836 -4.720 1.00 0.00 C ATOM 0 H LEU A 152 18.760 -9.519 -1.931 1.00 0.00 H new ATOM 0 HA LEU A 152 19.174 -10.486 -4.581 1.00 0.00 H new ATOM 0 HB2 LEU A 152 19.139 -7.619 -3.519 1.00 0.00 H new ATOM 0 HB3 LEU A 152 18.905 -8.086 -5.191 1.00 0.00 H new ATOM 0 HG LEU A 152 17.129 -8.862 -2.830 1.00 0.00 H new ATOM 0 HD11 LEU A 152 15.421 -7.566 -4.075 1.00 0.00 H new ATOM 0 HD12 LEU A 152 16.828 -6.552 -3.678 1.00 0.00 H new ATOM 0 HD13 LEU A 152 16.625 -7.184 -5.329 1.00 0.00 H new ATOM 0 HD21 LEU A 152 15.725 -10.004 -4.526 1.00 0.00 H new ATOM 0 HD22 LEU A 152 16.929 -9.623 -5.779 1.00 0.00 H new ATOM 0 HD23 LEU A 152 17.348 -10.728 -4.448 1.00 0.00 H new