USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 735 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 62 THR OG1 : rot -156:sc= 1.99 USER MOD Set 1.2: A 65 GLN : amide:sc= 0.116 K(o=2.1,f=0.14) USER MOD Set 1.3: A 68 LYS NZ :NH3+ 161:sc= -0.0123 (180deg=0) USER MOD Set 2.1: A 57 ASN :FLIP amide:sc= -0.0273 F(o=-4.9,f=-2.8) USER MOD Set 2.2: A 58 SER OG : rot 76:sc= -0.715 USER MOD Set 2.3: A 120 ASN : amide:sc= -1.65 K(o=-2.8,f=-5!) USER MOD Set 2.4: A 122 SER OG : rot -113:sc= -1.03 USER MOD Set 2.5: A 133 THR OG1 : rot -141:sc= 0.609 USER MOD Single : A 25 ASN : amide:sc= 0.207 X(o=0.21,f=-0.0045) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.23 USER MOD Single : A 35 HIS : no HD1:sc= -0.63 X(o=-0.63,f=-0.34) USER MOD Single : A 38 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0936) USER MOD Single : A 39 ASN : amide:sc= -0.879 K(o=-0.88,f=-8.8!) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 60:sc= 0.586 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl 165:sc= -0.0714 (180deg=-0.465) USER MOD Single : A 66 MET CE :methyl 156:sc= -2.74 (180deg=-5.84!) USER MOD Single : A 71 SER OG : rot -38:sc= 0.0583 USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.0328 USER MOD Single : A 79 TYR OH : rot 180:sc= -0.096 USER MOD Single : A 85 HIS : no HD1:sc= -0.0965 X(o=-0.096,f=0) USER MOD Single : A 92 HIS : no HD1:sc= -0.166 X(o=-0.17,f=-0.41) USER MOD Single : A 94 ASN : amide:sc= -0.302 K(o=-0.3,f=-2.6!) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 101 ASN : amide:sc= -0.759 X(o=-0.76,f=-1.2) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 GLN : amide:sc= -0.0146 X(o=-0.015,f=-0.0051) USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot -150:sc= -0.79 USER MOD Single : A 117 TYR OH : rot 130:sc= 0.196 USER MOD Single : A 130 THR OG1 : rot 62:sc= 0.423 USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 144 THR OG1 : rot 22:sc= 0.661 USER MOD Single : A 146 THR OG1 : rot 180:sc= -0.15 USER MOD ----------------------------------------------------------------- ATOM 16 N ILE A 22 6.108 -10.028 2.587 1.00 0.00 N ATOM 17 CA ILE A 22 5.257 -9.026 1.958 1.00 0.00 C ATOM 18 C ILE A 22 5.961 -7.674 1.887 1.00 0.00 C ATOM 19 O ILE A 22 6.364 -7.120 2.910 1.00 0.00 O ATOM 20 CB ILE A 22 3.926 -8.861 2.713 1.00 0.00 C ATOM 21 CG1 ILE A 22 3.082 -10.132 2.587 1.00 0.00 C ATOM 22 CG2 ILE A 22 3.161 -7.657 2.182 1.00 0.00 C ATOM 23 CD1 ILE A 22 2.637 -10.423 1.172 1.00 0.00 C ATOM 0 HA ILE A 22 5.049 -9.379 0.948 1.00 0.00 H new ATOM 0 HB ILE A 22 4.142 -8.693 3.768 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.658 -10.979 2.960 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.202 -10.039 3.224 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.222 -7.554 2.726 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.760 -6.757 2.318 1.00 0.00 H new ATOM 0 HG23 ILE A 22 2.952 -7.797 1.121 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.044 -11.337 1.158 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.034 -9.594 0.802 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.512 -10.548 0.534 1.00 0.00 H new ATOM 34 N ASP A 23 6.103 -7.150 0.675 1.00 0.00 N ATOM 35 CA ASP A 23 6.754 -5.861 0.472 1.00 0.00 C ATOM 36 C ASP A 23 5.754 -4.818 -0.016 1.00 0.00 C ATOM 37 O ASP A 23 5.023 -5.046 -0.981 1.00 0.00 O ATOM 38 CB ASP A 23 7.899 -5.998 -0.532 1.00 0.00 C ATOM 39 CG ASP A 23 9.030 -5.026 -0.257 1.00 0.00 C ATOM 40 OD1 ASP A 23 8.748 -3.908 0.221 1.00 0.00 O ATOM 41 OD2 ASP A 23 10.197 -5.383 -0.523 1.00 0.00 O ATOM 0 H ASP A 23 5.776 -7.597 -0.181 1.00 0.00 H new ATOM 0 HA ASP A 23 7.158 -5.530 1.429 1.00 0.00 H new ATOM 0 HB2 ASP A 23 8.284 -7.017 -0.502 1.00 0.00 H new ATOM 0 HB3 ASP A 23 7.517 -5.831 -1.539 1.00 0.00 H new ATOM 45 N LEU A 24 5.726 -3.673 0.656 1.00 0.00 N ATOM 46 CA LEU A 24 4.814 -2.593 0.293 1.00 0.00 C ATOM 47 C LEU A 24 5.406 -1.733 -0.820 1.00 0.00 C ATOM 48 O LEU A 24 6.266 -0.889 -0.573 1.00 0.00 O ATOM 49 CB LEU A 24 4.505 -1.726 1.514 1.00 0.00 C ATOM 50 CG LEU A 24 4.089 -2.475 2.781 1.00 0.00 C ATOM 51 CD1 LEU A 24 4.104 -1.542 3.982 1.00 0.00 C ATOM 52 CD2 LEU A 24 2.709 -3.095 2.604 1.00 0.00 C ATOM 0 H LEU A 24 6.325 -3.468 1.456 1.00 0.00 H new ATOM 0 HA LEU A 24 3.888 -3.039 -0.070 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.387 -1.128 1.743 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.708 -1.031 1.249 1.00 0.00 H new ATOM 0 HG LEU A 24 4.807 -3.276 2.959 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.805 -2.092 4.874 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.109 -1.144 4.121 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.408 -0.720 3.813 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.428 -3.624 3.515 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.981 -2.310 2.401 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.729 -3.795 1.769 1.00 0.00 H new ATOM 63 N ASN A 25 4.936 -1.953 -2.044 1.00 0.00 N ATOM 64 CA ASN A 25 5.418 -1.195 -3.193 1.00 0.00 C ATOM 65 C ASN A 25 4.512 -0.001 -3.477 1.00 0.00 C ATOM 66 O ASN A 25 3.317 -0.161 -3.728 1.00 0.00 O ATOM 67 CB ASN A 25 5.492 -2.097 -4.429 1.00 0.00 C ATOM 68 CG ASN A 25 5.934 -1.344 -5.668 1.00 0.00 C ATOM 69 OD1 ASN A 25 6.944 -0.640 -5.653 1.00 0.00 O ATOM 70 ND2 ASN A 25 5.177 -1.489 -6.750 1.00 0.00 N ATOM 0 H ASN A 25 4.223 -2.648 -2.265 1.00 0.00 H new ATOM 0 HA ASN A 25 6.416 -0.824 -2.959 1.00 0.00 H new ATOM 0 HB2 ASN A 25 6.186 -2.915 -4.237 1.00 0.00 H new ATOM 0 HB3 ASN A 25 4.514 -2.544 -4.608 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.424 -1.007 -7.614 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.348 -2.083 -6.717 1.00 0.00 H new ATOM 76 N ILE A 26 5.090 1.195 -3.434 1.00 0.00 N ATOM 77 CA ILE A 26 4.335 2.416 -3.688 1.00 0.00 C ATOM 78 C ILE A 26 4.726 3.036 -5.026 1.00 0.00 C ATOM 79 O ILE A 26 5.889 3.365 -5.254 1.00 0.00 O ATOM 80 CB ILE A 26 4.553 3.454 -2.571 1.00 0.00 C ATOM 81 CG1 ILE A 26 4.373 2.804 -1.199 1.00 0.00 C ATOM 82 CG2 ILE A 26 3.594 4.623 -2.740 1.00 0.00 C ATOM 83 CD1 ILE A 26 5.676 2.413 -0.538 1.00 0.00 C ATOM 0 H ILE A 26 6.077 1.344 -3.226 1.00 0.00 H new ATOM 0 HA ILE A 26 3.282 2.137 -3.714 1.00 0.00 H new ATOM 0 HB ILE A 26 5.573 3.833 -2.641 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.837 3.494 -0.547 1.00 0.00 H new ATOM 0 HG13 ILE A 26 3.749 1.917 -1.306 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.760 5.348 -1.943 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.767 5.099 -3.705 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.567 4.261 -2.693 1.00 0.00 H new ATOM 0 HD11 ILE A 26 5.470 1.958 0.431 1.00 0.00 H new ATOM 0 HD12 ILE A 26 6.204 1.698 -1.169 1.00 0.00 H new ATOM 0 HD13 ILE A 26 6.294 3.300 -0.399 1.00 0.00 H new ATOM 94 N THR A 27 3.744 3.193 -5.907 1.00 0.00 N ATOM 95 CA THR A 27 3.983 3.773 -7.222 1.00 0.00 C ATOM 96 C THR A 27 4.031 5.296 -7.151 1.00 0.00 C ATOM 97 O THR A 27 4.033 5.876 -6.066 1.00 0.00 O ATOM 98 CB THR A 27 2.895 3.352 -8.229 1.00 0.00 C ATOM 99 OG1 THR A 27 3.328 3.637 -9.564 1.00 0.00 O ATOM 100 CG2 THR A 27 1.588 4.077 -7.948 1.00 0.00 C ATOM 0 H THR A 27 2.775 2.926 -5.734 1.00 0.00 H new ATOM 0 HA THR A 27 4.948 3.397 -7.562 1.00 0.00 H new ATOM 0 HB THR A 27 2.727 2.280 -8.123 1.00 0.00 H new ATOM 0 HG1 THR A 27 2.632 3.365 -10.199 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.835 3.764 -8.671 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.247 3.835 -6.941 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.744 5.153 -8.029 1.00 0.00 H new ATOM 108 N CYS A 28 4.069 5.937 -8.315 1.00 0.00 N ATOM 109 CA CYS A 28 4.117 7.392 -8.385 1.00 0.00 C ATOM 110 C CYS A 28 3.010 8.014 -7.539 1.00 0.00 C ATOM 111 O CYS A 28 1.998 7.374 -7.252 1.00 0.00 O ATOM 112 CB CYS A 28 3.986 7.858 -9.837 1.00 0.00 C ATOM 113 SG CYS A 28 5.214 7.125 -10.965 1.00 0.00 S ATOM 0 H CYS A 28 4.067 5.471 -9.222 1.00 0.00 H new ATOM 0 HA CYS A 28 5.079 7.718 -7.990 1.00 0.00 H new ATOM 0 HB2 CYS A 28 2.986 7.614 -10.197 1.00 0.00 H new ATOM 0 HB3 CYS A 28 4.081 8.943 -9.869 1.00 0.00 H new ATOM 117 N ARG A 29 3.209 9.266 -7.139 1.00 0.00 N ATOM 118 CA ARG A 29 2.231 9.974 -6.326 1.00 0.00 C ATOM 119 C ARG A 29 1.302 10.814 -7.199 1.00 0.00 C ATOM 120 O ARG A 29 1.727 11.386 -8.203 1.00 0.00 O ATOM 121 CB ARG A 29 2.936 10.871 -5.305 1.00 0.00 C ATOM 122 CG ARG A 29 3.530 10.107 -4.133 1.00 0.00 C ATOM 123 CD ARG A 29 5.015 9.844 -4.335 1.00 0.00 C ATOM 124 NE ARG A 29 5.809 10.284 -3.191 1.00 0.00 N ATOM 125 CZ ARG A 29 5.769 9.698 -1.999 1.00 0.00 C ATOM 126 NH1 ARG A 29 4.977 8.654 -1.797 1.00 0.00 N ATOM 127 NH2 ARG A 29 6.521 10.157 -1.006 1.00 0.00 N ATOM 0 H ARG A 29 4.041 9.811 -7.366 1.00 0.00 H new ATOM 0 HA ARG A 29 1.633 9.232 -5.797 1.00 0.00 H new ATOM 0 HB2 ARG A 29 3.730 11.425 -5.807 1.00 0.00 H new ATOM 0 HB3 ARG A 29 2.225 11.605 -4.927 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.381 10.675 -3.214 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.005 9.160 -4.011 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.175 8.778 -4.499 1.00 0.00 H new ATOM 0 HD3 ARG A 29 5.356 10.360 -5.233 1.00 0.00 H new ATOM 0 HE ARG A 29 6.428 11.085 -3.314 1.00 0.00 H new ATOM 0 HH11 ARG A 29 4.397 8.299 -2.557 1.00 0.00 H new ATOM 0 HH12 ARG A 29 4.948 8.206 -0.881 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.131 10.961 -1.157 1.00 0.00 H new ATOM 0 HH22 ARG A 29 6.489 9.706 -0.092 1.00 0.00 H new ATOM 138 N PHE A 30 0.033 10.882 -6.810 1.00 0.00 N ATOM 139 CA PHE A 30 -0.955 11.651 -7.558 1.00 0.00 C ATOM 140 C PHE A 30 -1.652 12.665 -6.655 1.00 0.00 C ATOM 141 O PHE A 30 -2.628 12.342 -5.979 1.00 0.00 O ATOM 142 CB PHE A 30 -1.990 10.715 -8.186 1.00 0.00 C ATOM 143 CG PHE A 30 -1.450 9.908 -9.333 1.00 0.00 C ATOM 144 CD1 PHE A 30 -1.065 10.528 -10.511 1.00 0.00 C ATOM 145 CD2 PHE A 30 -1.329 8.533 -9.234 1.00 0.00 C ATOM 146 CE1 PHE A 30 -0.569 9.789 -11.570 1.00 0.00 C ATOM 147 CE2 PHE A 30 -0.833 7.789 -10.288 1.00 0.00 C ATOM 148 CZ PHE A 30 -0.454 8.418 -11.457 1.00 0.00 C ATOM 0 H PHE A 30 -0.335 10.414 -5.982 1.00 0.00 H new ATOM 0 HA PHE A 30 -0.436 12.192 -8.349 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.367 10.037 -7.420 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -2.838 11.305 -8.534 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.153 11.600 -10.603 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.626 8.035 -8.322 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.272 10.284 -12.483 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.742 6.717 -10.197 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.068 7.838 -12.282 1.00 0.00 H new ATOM 157 N ALA A 31 -1.142 13.892 -6.650 1.00 0.00 N ATOM 158 CA ALA A 31 -1.714 14.954 -5.833 1.00 0.00 C ATOM 159 C ALA A 31 -1.705 14.576 -4.355 1.00 0.00 C ATOM 160 O ALA A 31 -2.468 15.122 -3.561 1.00 0.00 O ATOM 161 CB ALA A 31 -3.132 15.267 -6.291 1.00 0.00 C ATOM 0 H ALA A 31 -0.333 14.175 -7.203 1.00 0.00 H new ATOM 0 HA ALA A 31 -1.098 15.845 -5.957 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.547 16.062 -5.672 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.115 15.589 -7.332 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.750 14.374 -6.197 1.00 0.00 H new ATOM 167 N GLY A 32 -0.835 13.638 -3.996 1.00 0.00 N ATOM 168 CA GLY A 32 -0.744 13.202 -2.614 1.00 0.00 C ATOM 169 C GLY A 32 -1.369 11.838 -2.394 1.00 0.00 C ATOM 170 O GLY A 32 -1.034 11.142 -1.435 1.00 0.00 O ATOM 0 H GLY A 32 -0.192 13.172 -4.636 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.304 13.171 -2.314 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.238 13.932 -1.973 1.00 0.00 H new ATOM 174 N VAL A 33 -2.282 11.457 -3.280 1.00 0.00 N ATOM 175 CA VAL A 33 -2.958 10.168 -3.178 1.00 0.00 C ATOM 176 C VAL A 33 -2.235 9.104 -3.994 1.00 0.00 C ATOM 177 O VAL A 33 -1.607 9.405 -5.010 1.00 0.00 O ATOM 178 CB VAL A 33 -4.419 10.262 -3.653 1.00 0.00 C ATOM 179 CG1 VAL A 33 -5.162 8.967 -3.355 1.00 0.00 C ATOM 180 CG2 VAL A 33 -5.116 11.448 -3.005 1.00 0.00 C ATOM 0 H VAL A 33 -2.572 12.023 -4.078 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.945 9.885 -2.126 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.422 10.415 -4.732 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.193 9.052 -3.698 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.675 8.141 -3.872 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -5.151 8.780 -2.281 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.148 11.498 -3.353 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.104 11.330 -1.922 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.597 12.367 -3.275 1.00 0.00 H new ATOM 190 N PHE A 34 -2.328 7.857 -3.545 1.00 0.00 N ATOM 191 CA PHE A 34 -1.683 6.745 -4.234 1.00 0.00 C ATOM 192 C PHE A 34 -2.167 5.407 -3.683 1.00 0.00 C ATOM 193 O PHE A 34 -2.952 5.362 -2.732 1.00 0.00 O ATOM 194 CB PHE A 34 -0.161 6.845 -4.094 1.00 0.00 C ATOM 195 CG PHE A 34 0.303 6.973 -2.671 1.00 0.00 C ATOM 196 CD1 PHE A 34 0.302 8.206 -2.038 1.00 0.00 C ATOM 197 CD2 PHE A 34 0.740 5.863 -1.968 1.00 0.00 C ATOM 198 CE1 PHE A 34 0.728 8.327 -0.729 1.00 0.00 C ATOM 199 CE2 PHE A 34 1.167 5.978 -0.659 1.00 0.00 C ATOM 200 CZ PHE A 34 1.163 7.212 -0.039 1.00 0.00 C ATOM 0 H PHE A 34 -2.844 7.591 -2.706 1.00 0.00 H new ATOM 0 HA PHE A 34 -1.950 6.801 -5.289 1.00 0.00 H new ATOM 0 HB2 PHE A 34 0.296 5.961 -4.538 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.192 7.706 -4.662 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -0.035 9.081 -2.573 1.00 0.00 H new ATOM 0 HD2 PHE A 34 0.747 4.896 -2.449 1.00 0.00 H new ATOM 0 HE1 PHE A 34 0.721 9.293 -0.246 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.503 5.104 -0.121 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.499 7.305 0.983 1.00 0.00 H new ATOM 209 N HIS A 35 -1.698 4.321 -4.285 1.00 0.00 N ATOM 210 CA HIS A 35 -2.085 2.981 -3.856 1.00 0.00 C ATOM 211 C HIS A 35 -0.874 2.203 -3.350 1.00 0.00 C ATOM 212 O HIS A 35 0.244 2.392 -3.830 1.00 0.00 O ATOM 213 CB HIS A 35 -2.747 2.225 -5.007 1.00 0.00 C ATOM 214 CG HIS A 35 -1.770 1.585 -5.945 1.00 0.00 C ATOM 215 ND1 HIS A 35 -0.991 2.306 -6.825 1.00 0.00 N ATOM 216 CD2 HIS A 35 -1.446 0.284 -6.135 1.00 0.00 C ATOM 217 CE1 HIS A 35 -0.231 1.475 -7.518 1.00 0.00 C ATOM 218 NE2 HIS A 35 -0.489 0.243 -7.118 1.00 0.00 N ATOM 0 H HIS A 35 -1.049 4.341 -5.072 1.00 0.00 H new ATOM 0 HA HIS A 35 -2.799 3.080 -3.039 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -3.401 1.456 -4.597 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -3.378 2.914 -5.568 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -1.863 -0.563 -5.611 1.00 0.00 H new ATOM 0 HE1 HIS A 35 0.480 1.756 -8.281 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -0.048 -0.602 -7.481 1.00 0.00 H new ATOM 225 N VAL A 36 -1.103 1.327 -2.377 1.00 0.00 N ATOM 226 CA VAL A 36 -0.031 0.519 -1.806 1.00 0.00 C ATOM 227 C VAL A 36 -0.178 -0.946 -2.201 1.00 0.00 C ATOM 228 O VAL A 36 -1.164 -1.596 -1.857 1.00 0.00 O ATOM 229 CB VAL A 36 -0.007 0.626 -0.269 1.00 0.00 C ATOM 230 CG1 VAL A 36 1.140 -0.192 0.304 1.00 0.00 C ATOM 231 CG2 VAL A 36 0.096 2.080 0.162 1.00 0.00 C ATOM 0 H VAL A 36 -2.022 1.158 -1.967 1.00 0.00 H new ATOM 0 HA VAL A 36 0.906 0.907 -2.205 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.941 0.222 0.121 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.142 -0.105 1.391 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.016 -1.238 0.024 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.085 0.180 -0.091 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.112 2.137 1.250 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.013 2.514 -0.237 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.763 2.634 -0.218 1.00 0.00 H new ATOM 241 N GLU A 37 0.812 -1.460 -2.924 1.00 0.00 N ATOM 242 CA GLU A 37 0.794 -2.850 -3.366 1.00 0.00 C ATOM 243 C GLU A 37 1.369 -3.770 -2.293 1.00 0.00 C ATOM 244 O GLU A 37 2.472 -3.545 -1.793 1.00 0.00 O ATOM 245 CB GLU A 37 1.585 -3.005 -4.666 1.00 0.00 C ATOM 246 CG GLU A 37 1.137 -4.182 -5.514 1.00 0.00 C ATOM 247 CD GLU A 37 1.837 -4.233 -6.858 1.00 0.00 C ATOM 248 OE1 GLU A 37 2.971 -3.722 -6.955 1.00 0.00 O ATOM 249 OE2 GLU A 37 1.251 -4.787 -7.811 1.00 0.00 O ATOM 0 H GLU A 37 1.636 -0.935 -3.216 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.243 -3.134 -3.545 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.490 -2.090 -5.251 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.642 -3.122 -4.427 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.329 -5.109 -4.973 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.060 -4.122 -5.672 1.00 0.00 H new ATOM 254 N LYS A 38 0.615 -4.806 -1.946 1.00 0.00 N ATOM 255 CA LYS A 38 1.050 -5.763 -0.933 1.00 0.00 C ATOM 256 C LYS A 38 1.775 -6.942 -1.573 1.00 0.00 C ATOM 257 O LYS A 38 1.167 -7.967 -1.875 1.00 0.00 O ATOM 258 CB LYS A 38 -0.151 -6.264 -0.129 1.00 0.00 C ATOM 259 CG LYS A 38 0.194 -6.656 1.298 1.00 0.00 C ATOM 260 CD LYS A 38 -1.053 -6.789 2.157 1.00 0.00 C ATOM 261 CE LYS A 38 -1.945 -7.922 1.673 1.00 0.00 C ATOM 262 NZ LYS A 38 -1.320 -9.254 1.898 1.00 0.00 N ATOM 0 H LYS A 38 -0.300 -5.006 -2.350 1.00 0.00 H new ATOM 0 HA LYS A 38 1.743 -5.255 -0.262 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.914 -5.486 -0.109 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.586 -7.124 -0.638 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.738 -7.601 1.295 1.00 0.00 H new ATOM 0 HG3 LYS A 38 0.857 -5.908 1.732 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -0.765 -6.968 3.193 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -1.610 -5.852 2.139 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -2.902 -7.878 2.192 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.152 -7.793 0.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -2.020 -10.001 1.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -0.511 -9.371 1.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -0.991 -9.321 2.882 1.00 0.00 H new ATOM 272 N ASN A 39 3.080 -6.789 -1.778 1.00 0.00 N ATOM 273 CA ASN A 39 3.887 -7.842 -2.382 1.00 0.00 C ATOM 274 C ASN A 39 3.347 -8.221 -3.757 1.00 0.00 C ATOM 275 O ASN A 39 3.625 -9.304 -4.268 1.00 0.00 O ATOM 276 CB ASN A 39 3.916 -9.074 -1.476 1.00 0.00 C ATOM 277 CG ASN A 39 5.237 -9.814 -1.550 1.00 0.00 C ATOM 278 OD1 ASN A 39 6.251 -9.354 -1.024 1.00 0.00 O ATOM 279 ND2 ASN A 39 5.231 -10.971 -2.203 1.00 0.00 N ATOM 0 H ASN A 39 3.600 -5.946 -1.535 1.00 0.00 H new ATOM 0 HA ASN A 39 4.902 -7.463 -2.502 1.00 0.00 H new ATOM 0 HB2 ASN A 39 3.731 -8.769 -0.446 1.00 0.00 H new ATOM 0 HB3 ASN A 39 3.108 -9.749 -1.759 1.00 0.00 H new ATOM 0 HD21 ASN A 39 6.090 -11.516 -2.284 1.00 0.00 H new ATOM 0 HD22 ASN A 39 4.368 -11.315 -2.624 1.00 0.00 H new ATOM 285 N GLY A 40 2.573 -7.318 -4.352 1.00 0.00 N ATOM 286 CA GLY A 40 2.005 -7.576 -5.663 1.00 0.00 C ATOM 287 C GLY A 40 0.699 -8.341 -5.589 1.00 0.00 C ATOM 288 O GLY A 40 0.651 -9.530 -5.907 1.00 0.00 O ATOM 0 H GLY A 40 2.329 -6.413 -3.950 1.00 0.00 H new ATOM 0 HA2 GLY A 40 1.839 -6.629 -6.176 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.720 -8.141 -6.260 1.00 0.00 H new ATOM 292 N ARG A 41 -0.362 -7.662 -5.169 1.00 0.00 N ATOM 293 CA ARG A 41 -1.674 -8.286 -5.052 1.00 0.00 C ATOM 294 C ARG A 41 -2.723 -7.271 -4.610 1.00 0.00 C ATOM 295 O ARG A 41 -2.390 -6.213 -4.074 1.00 0.00 O ATOM 296 CB ARG A 41 -1.622 -9.448 -4.057 1.00 0.00 C ATOM 297 CG ARG A 41 -2.531 -10.608 -4.428 1.00 0.00 C ATOM 298 CD ARG A 41 -1.876 -11.527 -5.447 1.00 0.00 C ATOM 299 NE ARG A 41 -2.087 -11.064 -6.816 1.00 0.00 N ATOM 300 CZ ARG A 41 -1.520 -11.627 -7.878 1.00 0.00 C ATOM 301 NH1 ARG A 41 -0.713 -12.669 -7.728 1.00 0.00 N ATOM 302 NH2 ARG A 41 -1.761 -11.150 -9.091 1.00 0.00 N ATOM 0 H ARG A 41 -0.339 -6.677 -4.903 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.955 -8.668 -6.033 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -0.596 -9.809 -3.987 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -1.899 -9.082 -3.069 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -2.781 -11.176 -3.532 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -3.467 -10.223 -4.833 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -0.807 -11.588 -5.246 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -2.279 -12.534 -5.339 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.703 -10.265 -6.965 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -0.527 -13.040 -6.796 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -0.279 -13.100 -8.544 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -2.382 -10.350 -9.210 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -1.325 -11.583 -9.905 1.00 0.00 H new ATOM 313 N TYR A 42 -3.989 -7.599 -4.839 1.00 0.00 N ATOM 314 CA TYR A 42 -5.086 -6.714 -4.467 1.00 0.00 C ATOM 315 C TYR A 42 -5.976 -7.361 -3.409 1.00 0.00 C ATOM 316 O TYR A 42 -7.195 -7.417 -3.557 1.00 0.00 O ATOM 317 CB TYR A 42 -5.920 -6.356 -5.700 1.00 0.00 C ATOM 318 CG TYR A 42 -5.332 -5.230 -6.522 1.00 0.00 C ATOM 319 CD1 TYR A 42 -4.021 -5.289 -6.976 1.00 0.00 C ATOM 320 CD2 TYR A 42 -6.089 -4.113 -6.846 1.00 0.00 C ATOM 321 CE1 TYR A 42 -3.479 -4.265 -7.728 1.00 0.00 C ATOM 322 CE2 TYR A 42 -5.556 -3.083 -7.599 1.00 0.00 C ATOM 323 CZ TYR A 42 -4.251 -3.163 -8.037 1.00 0.00 C ATOM 324 OH TYR A 42 -3.716 -2.141 -8.785 1.00 0.00 O ATOM 0 H TYR A 42 -4.281 -8.471 -5.280 1.00 0.00 H new ATOM 0 HA TYR A 42 -4.658 -5.804 -4.047 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -6.021 -7.240 -6.330 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -6.924 -6.076 -5.381 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -3.415 -6.150 -6.737 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -7.111 -4.047 -6.504 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -2.457 -4.326 -8.072 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -6.159 -2.221 -7.843 1.00 0.00 H new ATOM 0 HH TYR A 42 -4.391 -1.442 -8.914 1.00 0.00 H new ATOM 333 N SER A 43 -5.353 -7.850 -2.343 1.00 0.00 N ATOM 334 CA SER A 43 -6.084 -8.497 -1.260 1.00 0.00 C ATOM 335 C SER A 43 -5.705 -7.893 0.090 1.00 0.00 C ATOM 336 O SER A 43 -5.020 -8.525 0.894 1.00 0.00 O ATOM 337 CB SER A 43 -5.805 -10.001 -1.255 1.00 0.00 C ATOM 338 OG SER A 43 -4.424 -10.262 -1.073 1.00 0.00 O ATOM 0 H SER A 43 -4.343 -7.811 -2.205 1.00 0.00 H new ATOM 0 HA SER A 43 -7.149 -8.333 -1.425 1.00 0.00 H new ATOM 0 HB2 SER A 43 -6.377 -10.478 -0.459 1.00 0.00 H new ATOM 0 HB3 SER A 43 -6.141 -10.440 -2.195 1.00 0.00 H new ATOM 0 HG SER A 43 -4.128 -9.880 -0.220 1.00 0.00 H new ATOM 343 N ILE A 44 -6.155 -6.666 0.328 1.00 0.00 N ATOM 344 CA ILE A 44 -5.865 -5.977 1.580 1.00 0.00 C ATOM 345 C ILE A 44 -7.149 -5.617 2.320 1.00 0.00 C ATOM 346 O ILE A 44 -8.182 -5.359 1.703 1.00 0.00 O ATOM 347 CB ILE A 44 -5.049 -4.694 1.339 1.00 0.00 C ATOM 348 CG1 ILE A 44 -3.856 -4.986 0.427 1.00 0.00 C ATOM 349 CG2 ILE A 44 -4.578 -4.109 2.664 1.00 0.00 C ATOM 350 CD1 ILE A 44 -3.047 -3.757 0.076 1.00 0.00 C ATOM 0 H ILE A 44 -6.721 -6.129 -0.329 1.00 0.00 H new ATOM 0 HA ILE A 44 -5.278 -6.664 2.190 1.00 0.00 H new ATOM 0 HB ILE A 44 -5.689 -3.962 0.847 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -3.205 -5.712 0.915 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -4.216 -5.448 -0.492 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.002 -3.202 2.477 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -5.442 -3.869 3.284 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.952 -4.836 3.181 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -2.218 -4.040 -0.573 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -3.683 -3.038 -0.441 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -2.656 -3.306 0.988 1.00 0.00 H new ATOM 361 N SER A 45 -7.076 -5.600 3.647 1.00 0.00 N ATOM 362 CA SER A 45 -8.233 -5.273 4.472 1.00 0.00 C ATOM 363 C SER A 45 -8.112 -3.865 5.044 1.00 0.00 C ATOM 364 O SER A 45 -7.025 -3.288 5.081 1.00 0.00 O ATOM 365 CB SER A 45 -8.376 -6.286 5.609 1.00 0.00 C ATOM 366 OG SER A 45 -9.716 -6.348 6.070 1.00 0.00 O ATOM 0 H SER A 45 -6.228 -5.809 4.174 1.00 0.00 H new ATOM 0 HA SER A 45 -9.121 -5.315 3.842 1.00 0.00 H new ATOM 0 HB2 SER A 45 -8.060 -7.271 5.265 1.00 0.00 H new ATOM 0 HB3 SER A 45 -7.717 -6.009 6.432 1.00 0.00 H new ATOM 0 HG SER A 45 -9.782 -7.004 6.795 1.00 0.00 H new ATOM 371 N ARG A 46 -9.237 -3.315 5.489 1.00 0.00 N ATOM 372 CA ARG A 46 -9.259 -1.972 6.058 1.00 0.00 C ATOM 373 C ARG A 46 -8.411 -1.904 7.326 1.00 0.00 C ATOM 374 O ARG A 46 -7.678 -0.941 7.544 1.00 0.00 O ATOM 375 CB ARG A 46 -10.696 -1.551 6.369 1.00 0.00 C ATOM 376 CG ARG A 46 -11.427 -2.515 7.290 1.00 0.00 C ATOM 377 CD ARG A 46 -12.936 -2.389 7.142 1.00 0.00 C ATOM 378 NE ARG A 46 -13.439 -1.139 7.703 1.00 0.00 N ATOM 379 CZ ARG A 46 -14.677 -0.693 7.512 1.00 0.00 C ATOM 380 NH1 ARG A 46 -15.531 -1.394 6.780 1.00 0.00 N ATOM 381 NH2 ARG A 46 -15.061 0.455 8.056 1.00 0.00 N ATOM 0 H ARG A 46 -10.145 -3.778 5.467 1.00 0.00 H new ATOM 0 HA ARG A 46 -8.838 -1.286 5.323 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -10.685 -0.562 6.827 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -11.250 -1.463 5.435 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -11.122 -3.537 7.065 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -11.144 -2.318 8.324 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -13.203 -2.446 6.087 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -13.420 -3.230 7.639 1.00 0.00 H new ATOM 0 HE ARG A 46 -12.806 -0.577 8.273 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -15.239 -2.277 6.362 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -16.480 -1.050 6.635 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -14.406 0.996 8.621 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -16.011 0.797 7.909 1.00 0.00 H new ATOM 392 N THR A 47 -8.519 -2.935 8.159 1.00 0.00 N ATOM 393 CA THR A 47 -7.764 -2.993 9.404 1.00 0.00 C ATOM 394 C THR A 47 -6.271 -2.813 9.151 1.00 0.00 C ATOM 395 O THR A 47 -5.547 -2.302 10.005 1.00 0.00 O ATOM 396 CB THR A 47 -7.993 -4.329 10.137 1.00 0.00 C ATOM 397 OG1 THR A 47 -7.773 -5.424 9.240 1.00 0.00 O ATOM 398 CG2 THR A 47 -9.404 -4.403 10.702 1.00 0.00 C ATOM 0 H THR A 47 -9.122 -3.741 7.993 1.00 0.00 H new ATOM 0 HA THR A 47 -8.123 -2.177 10.031 1.00 0.00 H new ATOM 0 HB THR A 47 -7.285 -4.390 10.964 1.00 0.00 H new ATOM 0 HG1 THR A 47 -7.919 -6.269 9.714 1.00 0.00 H new ATOM 0 HG21 THR A 47 -9.541 -5.355 11.215 1.00 0.00 H new ATOM 0 HG22 THR A 47 -9.557 -3.586 11.407 1.00 0.00 H new ATOM 0 HG23 THR A 47 -10.126 -4.321 9.890 1.00 0.00 H new ATOM 406 N GLU A 48 -5.820 -3.237 7.977 1.00 0.00 N ATOM 407 CA GLU A 48 -4.413 -3.121 7.613 1.00 0.00 C ATOM 408 C GLU A 48 -4.153 -1.831 6.841 1.00 0.00 C ATOM 409 O GLU A 48 -3.074 -1.245 6.934 1.00 0.00 O ATOM 410 CB GLU A 48 -3.979 -4.327 6.774 1.00 0.00 C ATOM 411 CG GLU A 48 -3.595 -5.539 7.606 1.00 0.00 C ATOM 412 CD GLU A 48 -2.599 -6.438 6.901 1.00 0.00 C ATOM 413 OE1 GLU A 48 -3.031 -7.303 6.112 1.00 0.00 O ATOM 414 OE2 GLU A 48 -1.382 -6.274 7.139 1.00 0.00 O ATOM 0 H GLU A 48 -6.408 -3.664 7.261 1.00 0.00 H new ATOM 0 HA GLU A 48 -3.828 -3.097 8.533 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.791 -4.601 6.100 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.131 -4.040 6.152 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.171 -5.205 8.553 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.492 -6.112 7.843 1.00 0.00 H new ATOM 419 N ALA A 49 -5.150 -1.394 6.079 1.00 0.00 N ATOM 420 CA ALA A 49 -5.032 -0.173 5.293 1.00 0.00 C ATOM 421 C ALA A 49 -4.573 0.996 6.158 1.00 0.00 C ATOM 422 O ALA A 49 -3.575 1.649 5.855 1.00 0.00 O ATOM 423 CB ALA A 49 -6.358 0.154 4.622 1.00 0.00 C ATOM 0 H ALA A 49 -6.049 -1.868 5.990 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.279 -0.339 4.523 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -6.255 1.069 4.038 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.645 -0.666 3.964 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.126 0.294 5.383 1.00 0.00 H new ATOM 429 N ALA A 50 -5.307 1.252 7.236 1.00 0.00 N ATOM 430 CA ALA A 50 -4.974 2.340 8.145 1.00 0.00 C ATOM 431 C ALA A 50 -3.519 2.254 8.594 1.00 0.00 C ATOM 432 O ALA A 50 -2.755 3.209 8.442 1.00 0.00 O ATOM 433 CB ALA A 50 -5.901 2.325 9.352 1.00 0.00 C ATOM 0 H ALA A 50 -6.136 0.720 7.500 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.108 3.280 7.610 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.639 3.144 10.022 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.932 2.443 9.020 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.796 1.377 9.880 1.00 0.00 H new ATOM 439 N ASP A 51 -3.142 1.108 9.150 1.00 0.00 N ATOM 440 CA ASP A 51 -1.778 0.897 9.621 1.00 0.00 C ATOM 441 C ASP A 51 -0.776 1.097 8.489 1.00 0.00 C ATOM 442 O ASP A 51 0.330 1.597 8.705 1.00 0.00 O ATOM 443 CB ASP A 51 -1.630 -0.507 10.209 1.00 0.00 C ATOM 444 CG ASP A 51 -0.191 -0.845 10.542 1.00 0.00 C ATOM 445 OD1 ASP A 51 0.302 -0.378 11.590 1.00 0.00 O ATOM 446 OD2 ASP A 51 0.444 -1.578 9.754 1.00 0.00 O ATOM 0 H ASP A 51 -3.763 0.310 9.286 1.00 0.00 H new ATOM 0 HA ASP A 51 -1.571 1.631 10.399 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.237 -0.586 11.111 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.017 -1.238 9.499 1.00 0.00 H new ATOM 450 N LEU A 52 -1.168 0.703 7.283 1.00 0.00 N ATOM 451 CA LEU A 52 -0.302 0.838 6.115 1.00 0.00 C ATOM 452 C LEU A 52 0.034 2.302 5.852 1.00 0.00 C ATOM 453 O LEU A 52 1.199 2.698 5.882 1.00 0.00 O ATOM 454 CB LEU A 52 -0.974 0.227 4.884 1.00 0.00 C ATOM 455 CG LEU A 52 -0.047 -0.476 3.892 1.00 0.00 C ATOM 456 CD1 LEU A 52 1.104 0.436 3.499 1.00 0.00 C ATOM 457 CD2 LEU A 52 0.478 -1.776 4.484 1.00 0.00 C ATOM 0 H LEU A 52 -2.079 0.288 7.087 1.00 0.00 H new ATOM 0 HA LEU A 52 0.626 0.303 6.318 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.722 -0.490 5.222 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.506 1.018 4.355 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.618 -0.713 2.994 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.753 -0.081 2.793 1.00 0.00 H new ATOM 0 HD12 LEU A 52 0.710 1.340 3.035 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.675 0.704 4.388 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.136 -2.264 3.765 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.033 -1.562 5.397 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.359 -2.435 4.715 1.00 0.00 H new ATOM 468 N CYS A 53 -0.995 3.103 5.597 1.00 0.00 N ATOM 469 CA CYS A 53 -0.811 4.524 5.330 1.00 0.00 C ATOM 470 C CYS A 53 -0.036 5.194 6.461 1.00 0.00 C ATOM 471 O CYS A 53 0.928 5.922 6.221 1.00 0.00 O ATOM 472 CB CYS A 53 -2.168 5.210 5.151 1.00 0.00 C ATOM 473 SG CYS A 53 -3.232 4.435 3.894 1.00 0.00 S ATOM 0 H CYS A 53 -1.966 2.791 5.570 1.00 0.00 H new ATOM 0 HA CYS A 53 -0.236 4.624 4.410 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -2.693 5.209 6.106 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -2.003 6.253 4.879 1.00 0.00 H new ATOM 477 N LYS A 54 -0.463 4.942 7.694 1.00 0.00 N ATOM 478 CA LYS A 54 0.191 5.518 8.862 1.00 0.00 C ATOM 479 C LYS A 54 1.662 5.120 8.915 1.00 0.00 C ATOM 480 O LYS A 54 2.516 5.909 9.320 1.00 0.00 O ATOM 481 CB LYS A 54 -0.517 5.067 10.142 1.00 0.00 C ATOM 482 CG LYS A 54 -0.193 5.927 11.352 1.00 0.00 C ATOM 483 CD LYS A 54 -0.690 5.288 12.638 1.00 0.00 C ATOM 484 CE LYS A 54 0.039 5.842 13.853 1.00 0.00 C ATOM 485 NZ LYS A 54 -0.514 7.157 14.281 1.00 0.00 N ATOM 0 H LYS A 54 -1.259 4.342 7.910 1.00 0.00 H new ATOM 0 HA LYS A 54 0.130 6.603 8.783 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.594 5.080 9.975 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.240 4.035 10.356 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.884 6.080 11.413 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.648 6.910 11.233 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.761 5.464 12.743 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -0.548 4.208 12.588 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -0.036 5.132 14.676 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.099 5.952 13.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 0.010 7.500 15.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -0.420 7.842 13.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -1.519 7.048 14.526 1.00 0.00 H new ATOM 495 N ALA A 55 1.952 3.890 8.502 1.00 0.00 N ATOM 496 CA ALA A 55 3.322 3.389 8.498 1.00 0.00 C ATOM 497 C ALA A 55 4.156 4.081 7.427 1.00 0.00 C ATOM 498 O ALA A 55 5.369 4.232 7.572 1.00 0.00 O ATOM 499 CB ALA A 55 3.331 1.882 8.286 1.00 0.00 C ATOM 0 H ALA A 55 1.258 3.223 8.166 1.00 0.00 H new ATOM 0 HA ALA A 55 3.768 3.611 9.468 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.359 1.521 8.285 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.777 1.398 9.090 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.863 1.646 7.330 1.00 0.00 H new ATOM 505 N PHE A 56 3.501 4.499 6.349 1.00 0.00 N ATOM 506 CA PHE A 56 4.183 5.173 5.251 1.00 0.00 C ATOM 507 C PHE A 56 4.101 6.688 5.407 1.00 0.00 C ATOM 508 O PHE A 56 4.079 7.425 4.422 1.00 0.00 O ATOM 509 CB PHE A 56 3.578 4.753 3.910 1.00 0.00 C ATOM 510 CG PHE A 56 4.459 5.057 2.732 1.00 0.00 C ATOM 511 CD1 PHE A 56 5.803 4.720 2.751 1.00 0.00 C ATOM 512 CD2 PHE A 56 3.943 5.679 1.607 1.00 0.00 C ATOM 513 CE1 PHE A 56 6.617 4.999 1.669 1.00 0.00 C ATOM 514 CE2 PHE A 56 4.752 5.960 0.521 1.00 0.00 C ATOM 515 CZ PHE A 56 6.090 5.620 0.553 1.00 0.00 C ATOM 0 H PHE A 56 2.497 4.382 6.213 1.00 0.00 H new ATOM 0 HA PHE A 56 5.232 4.880 5.275 1.00 0.00 H new ATOM 0 HB2 PHE A 56 3.372 3.683 3.933 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.621 5.259 3.778 1.00 0.00 H new ATOM 0 HD1 PHE A 56 6.219 4.234 3.621 1.00 0.00 H new ATOM 0 HD2 PHE A 56 2.897 5.948 1.578 1.00 0.00 H new ATOM 0 HE1 PHE A 56 7.663 4.732 1.696 1.00 0.00 H new ATOM 0 HE2 PHE A 56 4.338 6.445 -0.351 1.00 0.00 H new ATOM 0 HZ PHE A 56 6.724 5.839 -0.293 1.00 0.00 H new ATOM 524 N ASN A 57 4.049 7.147 6.654 1.00 0.00 N ATOM 525 CA ASN A 57 3.967 8.574 6.941 1.00 0.00 C ATOM 526 C ASN A 57 2.831 9.221 6.153 1.00 0.00 C ATOM 527 O ASN A 57 3.012 10.267 5.529 1.00 0.00 O ATOM 528 CB ASN A 57 5.291 9.261 6.604 1.00 0.00 C ATOM 529 CG ASN A 57 5.318 10.712 7.042 1.00 0.00 C ATOM 530 OD1 ASN A 57 5.341 11.623 6.075 1.00 0.00 O flip ATOM 531 ND2 ASN A 57 5.317 11.012 8.238 1.00 0.00 N flip ATOM 0 H ASN A 57 4.062 6.551 7.481 1.00 0.00 H new ATOM 0 HA ASN A 57 3.764 8.695 8.005 1.00 0.00 H new ATOM 0 HB2 ASN A 57 6.108 8.724 7.085 1.00 0.00 H new ATOM 0 HB3 ASN A 57 5.462 9.206 5.529 1.00 0.00 H new ATOM 0 HD21 ASN A 57 5.299 10.279 8.948 1.00 0.00 H new ATOM 0 HD22 ASN A 57 5.334 11.993 8.518 1.00 0.00 H new ATOM 537 N SER A 58 1.660 8.594 6.188 1.00 0.00 N ATOM 538 CA SER A 58 0.496 9.105 5.476 1.00 0.00 C ATOM 539 C SER A 58 -0.796 8.616 6.123 1.00 0.00 C ATOM 540 O SER A 58 -0.772 7.822 7.064 1.00 0.00 O ATOM 541 CB SER A 58 0.539 8.676 4.008 1.00 0.00 C ATOM 542 OG SER A 58 1.804 8.956 3.432 1.00 0.00 O ATOM 0 H SER A 58 1.492 7.730 6.703 1.00 0.00 H new ATOM 0 HA SER A 58 0.519 10.193 5.529 1.00 0.00 H new ATOM 0 HB2 SER A 58 0.329 7.609 3.931 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.241 9.195 3.451 1.00 0.00 H new ATOM 0 HG SER A 58 2.456 8.291 3.736 1.00 0.00 H new ATOM 547 N THR A 59 -1.926 9.095 5.611 1.00 0.00 N ATOM 548 CA THR A 59 -3.228 8.708 6.138 1.00 0.00 C ATOM 549 C THR A 59 -4.199 8.373 5.012 1.00 0.00 C ATOM 550 O THR A 59 -4.067 8.872 3.894 1.00 0.00 O ATOM 551 CB THR A 59 -3.836 9.822 7.010 1.00 0.00 C ATOM 552 OG1 THR A 59 -3.713 11.085 6.346 1.00 0.00 O ATOM 553 CG2 THR A 59 -3.146 9.887 8.365 1.00 0.00 C ATOM 0 H THR A 59 -1.965 9.752 4.832 1.00 0.00 H new ATOM 0 HA THR A 59 -3.069 7.822 6.753 1.00 0.00 H new ATOM 0 HB THR A 59 -4.890 9.595 7.168 1.00 0.00 H new ATOM 0 HG1 THR A 59 -4.103 11.788 6.906 1.00 0.00 H new ATOM 0 HG21 THR A 59 -3.593 10.681 8.963 1.00 0.00 H new ATOM 0 HG22 THR A 59 -3.265 8.934 8.880 1.00 0.00 H new ATOM 0 HG23 THR A 59 -2.085 10.092 8.223 1.00 0.00 H new ATOM 561 N LEU A 60 -5.177 7.524 5.313 1.00 0.00 N ATOM 562 CA LEU A 60 -6.172 7.122 4.326 1.00 0.00 C ATOM 563 C LEU A 60 -6.779 8.340 3.637 1.00 0.00 C ATOM 564 O LEU A 60 -6.838 9.435 4.196 1.00 0.00 O ATOM 565 CB LEU A 60 -7.274 6.295 4.991 1.00 0.00 C ATOM 566 CG LEU A 60 -6.828 4.991 5.652 1.00 0.00 C ATOM 567 CD1 LEU A 60 -7.775 4.615 6.781 1.00 0.00 C ATOM 568 CD2 LEU A 60 -6.750 3.871 4.625 1.00 0.00 C ATOM 0 H LEU A 60 -5.301 7.101 6.233 1.00 0.00 H new ATOM 0 HA LEU A 60 -5.674 6.512 3.572 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.760 6.914 5.745 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.027 6.059 4.239 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.834 5.141 6.072 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -7.442 3.684 7.240 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.781 5.407 7.530 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.781 4.484 6.383 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.431 2.951 5.114 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.731 3.721 4.175 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.032 4.138 3.850 1.00 0.00 H new ATOM 579 N PRO A 61 -7.244 8.148 2.394 1.00 0.00 N ATOM 580 CA PRO A 61 -7.858 9.218 1.603 1.00 0.00 C ATOM 581 C PRO A 61 -9.217 9.637 2.152 1.00 0.00 C ATOM 582 O PRO A 61 -9.620 9.210 3.234 1.00 0.00 O ATOM 583 CB PRO A 61 -8.013 8.590 0.216 1.00 0.00 C ATOM 584 CG PRO A 61 -8.081 7.123 0.468 1.00 0.00 C ATOM 585 CD PRO A 61 -7.207 6.868 1.665 1.00 0.00 C ATOM 0 HA PRO A 61 -7.256 10.127 1.610 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -8.914 8.948 -0.282 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -7.171 8.842 -0.429 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -9.107 6.807 0.659 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -7.730 6.562 -0.398 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -7.588 6.048 2.273 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -6.192 6.602 1.372 1.00 0.00 H new ATOM 590 N THR A 62 -9.921 10.475 1.399 1.00 0.00 N ATOM 591 CA THR A 62 -11.235 10.954 1.810 1.00 0.00 C ATOM 592 C THR A 62 -12.277 10.698 0.727 1.00 0.00 C ATOM 593 O THR A 62 -12.006 10.012 -0.258 1.00 0.00 O ATOM 594 CB THR A 62 -11.209 12.460 2.136 1.00 0.00 C ATOM 595 OG1 THR A 62 -11.129 13.221 0.925 1.00 0.00 O ATOM 596 CG2 THR A 62 -10.029 12.799 3.033 1.00 0.00 C ATOM 0 H THR A 62 -9.603 10.837 0.500 1.00 0.00 H new ATOM 0 HA THR A 62 -11.505 10.400 2.709 1.00 0.00 H new ATOM 0 HB THR A 62 -12.129 12.712 2.663 1.00 0.00 H new ATOM 0 HG1 THR A 62 -10.738 14.099 1.116 1.00 0.00 H new ATOM 0 HG21 THR A 62 -10.032 13.867 3.249 1.00 0.00 H new ATOM 0 HG22 THR A 62 -10.108 12.240 3.965 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.100 12.533 2.528 1.00 0.00 H new ATOM 604 N MET A 63 -13.470 11.254 0.918 1.00 0.00 N ATOM 605 CA MET A 63 -14.553 11.086 -0.046 1.00 0.00 C ATOM 606 C MET A 63 -14.373 12.025 -1.234 1.00 0.00 C ATOM 607 O MET A 63 -14.807 11.723 -2.346 1.00 0.00 O ATOM 608 CB MET A 63 -15.903 11.345 0.623 1.00 0.00 C ATOM 609 CG MET A 63 -15.980 12.685 1.338 1.00 0.00 C ATOM 610 SD MET A 63 -17.644 13.065 1.921 1.00 0.00 S ATOM 611 CE MET A 63 -17.934 11.695 3.036 1.00 0.00 C ATOM 0 H MET A 63 -13.711 11.823 1.729 1.00 0.00 H new ATOM 0 HA MET A 63 -14.527 10.059 -0.410 1.00 0.00 H new ATOM 0 HB2 MET A 63 -16.688 11.300 -0.132 1.00 0.00 H new ATOM 0 HB3 MET A 63 -16.103 10.548 1.339 1.00 0.00 H new ATOM 0 HG2 MET A 63 -15.294 12.681 2.185 1.00 0.00 H new ATOM 0 HG3 MET A 63 -15.647 13.473 0.662 1.00 0.00 H new ATOM 0 HE1 MET A 63 -18.792 11.918 3.670 1.00 0.00 H new ATOM 0 HE2 MET A 63 -18.134 10.792 2.459 1.00 0.00 H new ATOM 0 HE3 MET A 63 -17.053 11.540 3.659 1.00 0.00 H new ATOM 619 N ALA A 64 -13.729 13.163 -0.993 1.00 0.00 N ATOM 620 CA ALA A 64 -13.492 14.143 -2.044 1.00 0.00 C ATOM 621 C ALA A 64 -12.166 13.879 -2.752 1.00 0.00 C ATOM 622 O ALA A 64 -12.088 13.926 -3.979 1.00 0.00 O ATOM 623 CB ALA A 64 -13.512 15.551 -1.468 1.00 0.00 C ATOM 0 H ALA A 64 -13.363 13.428 -0.079 1.00 0.00 H new ATOM 0 HA ALA A 64 -14.292 14.051 -2.779 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -13.333 16.273 -2.265 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -14.484 15.745 -1.014 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -12.733 15.646 -0.712 1.00 0.00 H new ATOM 629 N GLN A 65 -11.128 13.602 -1.970 1.00 0.00 N ATOM 630 CA GLN A 65 -9.806 13.332 -2.523 1.00 0.00 C ATOM 631 C GLN A 65 -9.879 12.267 -3.612 1.00 0.00 C ATOM 632 O GLN A 65 -9.166 12.340 -4.612 1.00 0.00 O ATOM 633 CB GLN A 65 -8.849 12.884 -1.416 1.00 0.00 C ATOM 634 CG GLN A 65 -8.147 14.034 -0.715 1.00 0.00 C ATOM 635 CD GLN A 65 -9.032 15.257 -0.569 1.00 0.00 C ATOM 636 OE1 GLN A 65 -9.792 15.376 0.393 1.00 0.00 O ATOM 637 NE2 GLN A 65 -8.939 16.172 -1.527 1.00 0.00 N ATOM 0 H GLN A 65 -11.177 13.559 -0.952 1.00 0.00 H new ATOM 0 HA GLN A 65 -9.430 14.254 -2.967 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -9.406 12.306 -0.678 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -8.099 12.218 -1.843 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -7.820 13.707 0.272 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -7.251 14.303 -1.275 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -8.295 16.031 -2.306 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -9.511 17.015 -1.484 1.00 0.00 H new ATOM 644 N MET A 66 -10.744 11.279 -3.409 1.00 0.00 N ATOM 645 CA MET A 66 -10.911 10.199 -4.375 1.00 0.00 C ATOM 646 C MET A 66 -11.447 10.732 -5.700 1.00 0.00 C ATOM 647 O MET A 66 -10.783 10.635 -6.731 1.00 0.00 O ATOM 648 CB MET A 66 -11.855 9.130 -3.820 1.00 0.00 C ATOM 649 CG MET A 66 -11.239 8.291 -2.713 1.00 0.00 C ATOM 650 SD MET A 66 -9.885 7.254 -3.299 1.00 0.00 S ATOM 651 CE MET A 66 -10.777 6.066 -4.301 1.00 0.00 C ATOM 0 H MET A 66 -11.340 11.204 -2.585 1.00 0.00 H new ATOM 0 HA MET A 66 -9.934 9.751 -4.554 1.00 0.00 H new ATOM 0 HB2 MET A 66 -12.755 9.614 -3.440 1.00 0.00 H new ATOM 0 HB3 MET A 66 -12.165 8.473 -4.633 1.00 0.00 H new ATOM 0 HG2 MET A 66 -10.873 8.949 -1.925 1.00 0.00 H new ATOM 0 HG3 MET A 66 -12.009 7.660 -2.269 1.00 0.00 H new ATOM 0 HE1 MET A 66 -10.105 5.643 -5.048 1.00 0.00 H new ATOM 0 HE2 MET A 66 -11.161 5.269 -3.665 1.00 0.00 H new ATOM 0 HE3 MET A 66 -11.608 6.563 -4.801 1.00 0.00 H new ATOM 659 N GLU A 67 -12.651 11.293 -5.662 1.00 0.00 N ATOM 660 CA GLU A 67 -13.276 11.839 -6.861 1.00 0.00 C ATOM 661 C GLU A 67 -12.369 12.871 -7.524 1.00 0.00 C ATOM 662 O GLU A 67 -12.451 13.101 -8.732 1.00 0.00 O ATOM 663 CB GLU A 67 -14.623 12.477 -6.514 1.00 0.00 C ATOM 664 CG GLU A 67 -15.520 11.586 -5.670 1.00 0.00 C ATOM 665 CD GLU A 67 -16.989 11.752 -6.004 1.00 0.00 C ATOM 666 OE1 GLU A 67 -17.311 11.907 -7.202 1.00 0.00 O ATOM 667 OE2 GLU A 67 -17.817 11.727 -5.070 1.00 0.00 O ATOM 0 H GLU A 67 -13.213 11.381 -4.815 1.00 0.00 H new ATOM 0 HA GLU A 67 -13.439 11.020 -7.561 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -14.446 13.411 -5.980 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -15.143 12.732 -7.437 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -15.233 10.545 -5.817 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -15.363 11.814 -4.616 1.00 0.00 H new ATOM 672 N LYS A 68 -11.504 13.488 -6.729 1.00 0.00 N ATOM 673 CA LYS A 68 -10.579 14.495 -7.237 1.00 0.00 C ATOM 674 C LYS A 68 -9.455 13.847 -8.037 1.00 0.00 C ATOM 675 O LYS A 68 -9.117 14.300 -9.131 1.00 0.00 O ATOM 676 CB LYS A 68 -9.994 15.310 -6.082 1.00 0.00 C ATOM 677 CG LYS A 68 -9.492 16.682 -6.497 1.00 0.00 C ATOM 678 CD LYS A 68 -9.268 17.582 -5.293 1.00 0.00 C ATOM 679 CE LYS A 68 -7.919 17.317 -4.643 1.00 0.00 C ATOM 680 NZ LYS A 68 -7.688 18.197 -3.465 1.00 0.00 N ATOM 0 H LYS A 68 -11.423 13.309 -5.728 1.00 0.00 H new ATOM 0 HA LYS A 68 -11.134 15.161 -7.898 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -10.755 15.429 -5.311 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -9.172 14.752 -5.635 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -8.560 16.577 -7.052 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -10.213 17.146 -7.170 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -9.326 18.626 -5.602 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -10.062 17.421 -4.564 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -7.864 16.273 -4.333 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.126 17.474 -5.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.940 17.789 -2.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -7.396 19.141 -3.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -8.566 18.276 -2.913 1.00 0.00 H new ATOM 690 N ALA A 69 -8.879 12.783 -7.486 1.00 0.00 N ATOM 691 CA ALA A 69 -7.795 12.070 -8.151 1.00 0.00 C ATOM 692 C ALA A 69 -8.291 11.368 -9.410 1.00 0.00 C ATOM 693 O ALA A 69 -7.496 10.920 -10.237 1.00 0.00 O ATOM 694 CB ALA A 69 -7.163 11.065 -7.198 1.00 0.00 C ATOM 0 H ALA A 69 -9.145 12.396 -6.581 1.00 0.00 H new ATOM 0 HA ALA A 69 -7.041 12.799 -8.447 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -6.355 10.539 -7.707 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -6.765 11.589 -6.329 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -7.916 10.347 -6.875 1.00 0.00 H new ATOM 700 N LEU A 70 -9.609 11.276 -9.552 1.00 0.00 N ATOM 701 CA LEU A 70 -10.211 10.629 -10.711 1.00 0.00 C ATOM 702 C LEU A 70 -9.635 11.188 -12.008 1.00 0.00 C ATOM 703 O LEU A 70 -9.201 10.437 -12.882 1.00 0.00 O ATOM 704 CB LEU A 70 -11.729 10.813 -10.693 1.00 0.00 C ATOM 705 CG LEU A 70 -12.483 10.301 -11.921 1.00 0.00 C ATOM 706 CD1 LEU A 70 -12.771 8.813 -11.788 1.00 0.00 C ATOM 707 CD2 LEU A 70 -13.774 11.081 -12.119 1.00 0.00 C ATOM 0 H LEU A 70 -10.281 11.642 -8.878 1.00 0.00 H new ATOM 0 HA LEU A 70 -9.980 9.565 -10.661 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -12.125 10.308 -9.812 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -11.945 11.875 -10.576 1.00 0.00 H new ATOM 0 HG LEU A 70 -11.854 10.452 -12.798 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -13.308 8.466 -12.671 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -11.832 8.267 -11.697 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -13.380 8.638 -10.901 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -14.297 10.703 -12.997 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -14.408 10.963 -11.241 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -13.543 12.137 -12.261 1.00 0.00 H new ATOM 718 N SER A 71 -9.630 12.512 -12.125 1.00 0.00 N ATOM 719 CA SER A 71 -9.108 13.174 -13.315 1.00 0.00 C ATOM 720 C SER A 71 -7.583 13.176 -13.309 1.00 0.00 C ATOM 721 O SER A 71 -6.948 13.501 -14.313 1.00 0.00 O ATOM 722 CB SER A 71 -9.632 14.607 -13.399 1.00 0.00 C ATOM 723 OG SER A 71 -9.443 15.144 -14.696 1.00 0.00 O ATOM 0 H SER A 71 -9.982 13.148 -11.409 1.00 0.00 H new ATOM 0 HA SER A 71 -9.450 12.620 -14.189 1.00 0.00 H new ATOM 0 HB2 SER A 71 -10.692 14.625 -13.145 1.00 0.00 H new ATOM 0 HB3 SER A 71 -9.118 15.229 -12.666 1.00 0.00 H new ATOM 0 HG SER A 71 -8.581 14.843 -15.052 1.00 0.00 H new ATOM 728 N ILE A 72 -7.000 12.811 -12.172 1.00 0.00 N ATOM 729 CA ILE A 72 -5.550 12.771 -12.036 1.00 0.00 C ATOM 730 C ILE A 72 -4.987 11.447 -12.539 1.00 0.00 C ATOM 731 O ILE A 72 -3.826 11.365 -12.938 1.00 0.00 O ATOM 732 CB ILE A 72 -5.116 12.979 -10.573 1.00 0.00 C ATOM 733 CG1 ILE A 72 -5.615 14.330 -10.056 1.00 0.00 C ATOM 734 CG2 ILE A 72 -3.603 12.883 -10.450 1.00 0.00 C ATOM 735 CD1 ILE A 72 -5.210 14.617 -8.627 1.00 0.00 C ATOM 0 H ILE A 72 -7.510 12.539 -11.332 1.00 0.00 H new ATOM 0 HA ILE A 72 -5.153 13.585 -12.643 1.00 0.00 H new ATOM 0 HB ILE A 72 -5.560 12.193 -9.963 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.230 15.121 -10.700 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -6.702 14.359 -10.130 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -3.312 13.032 -9.410 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -3.273 11.899 -10.781 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -3.138 13.649 -11.070 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -5.598 15.591 -8.327 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -5.617 13.847 -7.972 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -4.123 14.621 -8.551 1.00 0.00 H new ATOM 746 N GLY A 73 -5.819 10.410 -12.516 1.00 0.00 N ATOM 747 CA GLY A 73 -5.387 9.102 -12.975 1.00 0.00 C ATOM 748 C GLY A 73 -5.530 8.036 -11.905 1.00 0.00 C ATOM 749 O GLY A 73 -4.786 7.056 -11.894 1.00 0.00 O ATOM 0 H GLY A 73 -6.784 10.452 -12.188 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -5.972 8.816 -13.849 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -4.346 9.157 -13.292 1.00 0.00 H new ATOM 753 N PHE A 74 -6.487 8.231 -11.004 1.00 0.00 N ATOM 754 CA PHE A 74 -6.723 7.281 -9.923 1.00 0.00 C ATOM 755 C PHE A 74 -7.871 6.337 -10.270 1.00 0.00 C ATOM 756 O PHE A 74 -8.583 5.860 -9.388 1.00 0.00 O ATOM 757 CB PHE A 74 -7.032 8.022 -8.622 1.00 0.00 C ATOM 758 CG PHE A 74 -6.538 7.311 -7.395 1.00 0.00 C ATOM 759 CD1 PHE A 74 -5.195 7.003 -7.251 1.00 0.00 C ATOM 760 CD2 PHE A 74 -7.415 6.952 -6.385 1.00 0.00 C ATOM 761 CE1 PHE A 74 -4.737 6.348 -6.123 1.00 0.00 C ATOM 762 CE2 PHE A 74 -6.964 6.298 -5.254 1.00 0.00 C ATOM 763 CZ PHE A 74 -5.622 5.996 -5.123 1.00 0.00 C ATOM 0 H PHE A 74 -7.111 9.038 -11.001 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.817 6.689 -9.789 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -6.583 9.014 -8.663 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -8.110 8.163 -8.541 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -4.498 7.278 -8.029 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -8.465 7.186 -6.482 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -3.688 6.112 -6.024 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -7.659 6.024 -4.474 1.00 0.00 H new ATOM 0 HZ PHE A 74 -5.266 5.486 -4.240 1.00 0.00 H new ATOM 772 N GLU A 75 -8.044 6.075 -11.562 1.00 0.00 N ATOM 773 CA GLU A 75 -9.107 5.190 -12.025 1.00 0.00 C ATOM 774 C GLU A 75 -8.709 3.727 -11.854 1.00 0.00 C ATOM 775 O GLU A 75 -7.546 3.362 -12.027 1.00 0.00 O ATOM 776 CB GLU A 75 -9.433 5.473 -13.493 1.00 0.00 C ATOM 777 CG GLU A 75 -8.478 4.804 -14.469 1.00 0.00 C ATOM 778 CD GLU A 75 -7.037 5.224 -14.254 1.00 0.00 C ATOM 779 OE1 GLU A 75 -6.787 6.439 -14.113 1.00 0.00 O ATOM 780 OE2 GLU A 75 -6.158 4.336 -14.228 1.00 0.00 O ATOM 0 H GLU A 75 -7.463 6.462 -12.305 1.00 0.00 H new ATOM 0 HA GLU A 75 -9.993 5.381 -11.420 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -10.448 5.136 -13.702 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -9.414 6.550 -13.660 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -8.557 3.722 -14.365 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -8.776 5.049 -15.489 1.00 0.00 H new ATOM 785 N THR A 76 -9.685 2.891 -11.512 1.00 0.00 N ATOM 786 CA THR A 76 -9.440 1.468 -11.315 1.00 0.00 C ATOM 787 C THR A 76 -10.731 0.726 -10.989 1.00 0.00 C ATOM 788 O THR A 76 -11.656 1.296 -10.409 1.00 0.00 O ATOM 789 CB THR A 76 -8.422 1.225 -10.185 1.00 0.00 C ATOM 790 OG1 THR A 76 -8.386 -0.166 -9.849 1.00 0.00 O ATOM 791 CG2 THR A 76 -8.778 2.041 -8.952 1.00 0.00 C ATOM 0 H THR A 76 -10.653 3.176 -11.366 1.00 0.00 H new ATOM 0 HA THR A 76 -9.032 1.086 -12.251 1.00 0.00 H new ATOM 0 HB THR A 76 -7.439 1.538 -10.537 1.00 0.00 H new ATOM 0 HG1 THR A 76 -7.735 -0.312 -9.131 1.00 0.00 H new ATOM 0 HG21 THR A 76 -8.045 1.853 -8.167 1.00 0.00 H new ATOM 0 HG22 THR A 76 -8.776 3.101 -9.204 1.00 0.00 H new ATOM 0 HG23 THR A 76 -9.769 1.754 -8.599 1.00 0.00 H new ATOM 799 N CYS A 77 -10.788 -0.547 -11.363 1.00 0.00 N ATOM 800 CA CYS A 77 -11.965 -1.367 -11.110 1.00 0.00 C ATOM 801 C CYS A 77 -11.808 -2.162 -9.817 1.00 0.00 C ATOM 802 O CYS A 77 -12.301 -3.284 -9.701 1.00 0.00 O ATOM 803 CB CYS A 77 -12.210 -2.321 -12.281 1.00 0.00 C ATOM 804 SG CYS A 77 -12.836 -1.505 -13.785 1.00 0.00 S ATOM 0 H CYS A 77 -10.031 -1.034 -11.843 1.00 0.00 H new ATOM 0 HA CYS A 77 -12.823 -0.703 -11.005 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -11.278 -2.834 -12.520 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -12.923 -3.085 -11.971 1.00 0.00 H new ATOM 808 N ARG A 78 -11.116 -1.572 -8.847 1.00 0.00 N ATOM 809 CA ARG A 78 -10.891 -2.225 -7.563 1.00 0.00 C ATOM 810 C ARG A 78 -11.211 -1.279 -6.409 1.00 0.00 C ATOM 811 O ARG A 78 -10.481 -0.320 -6.159 1.00 0.00 O ATOM 812 CB ARG A 78 -9.443 -2.704 -7.457 1.00 0.00 C ATOM 813 CG ARG A 78 -8.989 -3.540 -8.643 1.00 0.00 C ATOM 814 CD ARG A 78 -9.597 -4.934 -8.608 1.00 0.00 C ATOM 815 NE ARG A 78 -8.957 -5.834 -9.564 1.00 0.00 N ATOM 816 CZ ARG A 78 -9.114 -5.741 -10.880 1.00 0.00 C ATOM 817 NH1 ARG A 78 -9.886 -4.793 -11.394 1.00 0.00 N ATOM 818 NH2 ARG A 78 -8.500 -6.598 -11.684 1.00 0.00 N ATOM 0 H ARG A 78 -10.702 -0.643 -8.926 1.00 0.00 H new ATOM 0 HA ARG A 78 -11.556 -3.086 -7.500 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -8.789 -1.837 -7.363 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -9.329 -3.290 -6.545 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -9.272 -3.042 -9.570 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -7.902 -3.616 -8.641 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -9.502 -5.346 -7.603 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -10.663 -4.870 -8.827 1.00 0.00 H new ATOM 0 HE ARG A 78 -8.357 -6.575 -9.201 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -10.361 -4.133 -10.779 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -10.005 -4.724 -12.405 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -7.907 -7.329 -11.292 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -8.621 -6.526 -12.694 1.00 0.00 H new ATOM 829 N TYR A 79 -12.306 -1.555 -5.711 1.00 0.00 N ATOM 830 CA TYR A 79 -12.725 -0.729 -4.585 1.00 0.00 C ATOM 831 C TYR A 79 -11.578 -0.529 -3.599 1.00 0.00 C ATOM 832 O TYR A 79 -10.703 -1.385 -3.466 1.00 0.00 O ATOM 833 CB TYR A 79 -13.920 -1.364 -3.873 1.00 0.00 C ATOM 834 CG TYR A 79 -15.072 -1.689 -4.797 1.00 0.00 C ATOM 835 CD1 TYR A 79 -15.995 -0.713 -5.157 1.00 0.00 C ATOM 836 CD2 TYR A 79 -15.239 -2.969 -5.308 1.00 0.00 C ATOM 837 CE1 TYR A 79 -17.049 -1.004 -6.000 1.00 0.00 C ATOM 838 CE2 TYR A 79 -16.290 -3.269 -6.154 1.00 0.00 C ATOM 839 CZ TYR A 79 -17.193 -2.284 -6.496 1.00 0.00 C ATOM 840 OH TYR A 79 -18.241 -2.578 -7.337 1.00 0.00 O ATOM 0 H TYR A 79 -12.921 -2.346 -5.905 1.00 0.00 H new ATOM 0 HA TYR A 79 -13.020 0.246 -4.974 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -13.593 -2.278 -3.378 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -14.270 -0.687 -3.094 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -15.885 0.290 -4.771 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -14.536 -3.744 -5.040 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -17.757 -0.234 -6.270 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -16.404 -4.269 -6.545 1.00 0.00 H new ATOM 0 HH TYR A 79 -18.197 -3.522 -7.597 1.00 0.00 H new ATOM 849 N GLY A 80 -11.591 0.606 -2.908 1.00 0.00 N ATOM 850 CA GLY A 80 -10.547 0.898 -1.941 1.00 0.00 C ATOM 851 C GLY A 80 -11.104 1.307 -0.593 1.00 0.00 C ATOM 852 O GLY A 80 -12.293 1.604 -0.468 1.00 0.00 O ATOM 0 H GLY A 80 -12.305 1.329 -3.000 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -9.914 0.019 -1.818 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.912 1.696 -2.326 1.00 0.00 H new ATOM 856 N PHE A 81 -10.245 1.320 0.421 1.00 0.00 N ATOM 857 CA PHE A 81 -10.658 1.694 1.768 1.00 0.00 C ATOM 858 C PHE A 81 -10.221 3.118 2.098 1.00 0.00 C ATOM 859 O PHE A 81 -9.045 3.370 2.366 1.00 0.00 O ATOM 860 CB PHE A 81 -10.073 0.719 2.793 1.00 0.00 C ATOM 861 CG PHE A 81 -10.669 -0.658 2.719 1.00 0.00 C ATOM 862 CD1 PHE A 81 -12.044 -0.832 2.687 1.00 0.00 C ATOM 863 CD2 PHE A 81 -9.855 -1.779 2.680 1.00 0.00 C ATOM 864 CE1 PHE A 81 -12.596 -2.097 2.618 1.00 0.00 C ATOM 865 CE2 PHE A 81 -10.401 -3.047 2.609 1.00 0.00 C ATOM 866 CZ PHE A 81 -11.773 -3.206 2.581 1.00 0.00 C ATOM 0 H PHE A 81 -9.258 1.076 0.335 1.00 0.00 H new ATOM 0 HA PHE A 81 -11.746 1.648 1.812 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -8.996 0.649 2.642 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -10.229 1.120 3.794 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -12.692 0.032 2.716 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -8.782 -1.661 2.705 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -13.669 -2.218 2.593 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -9.756 -3.912 2.575 1.00 0.00 H new ATOM 0 HZ PHE A 81 -12.202 -4.196 2.530 1.00 0.00 H new ATOM 875 N ILE A 82 -11.173 4.043 2.074 1.00 0.00 N ATOM 876 CA ILE A 82 -10.885 5.442 2.369 1.00 0.00 C ATOM 877 C ILE A 82 -11.045 5.732 3.858 1.00 0.00 C ATOM 878 O ILE A 82 -11.194 4.817 4.666 1.00 0.00 O ATOM 879 CB ILE A 82 -11.806 6.386 1.573 1.00 0.00 C ATOM 880 CG1 ILE A 82 -13.265 6.175 1.980 1.00 0.00 C ATOM 881 CG2 ILE A 82 -11.629 6.160 0.079 1.00 0.00 C ATOM 882 CD1 ILE A 82 -14.029 7.466 2.180 1.00 0.00 C ATOM 0 H ILE A 82 -12.150 3.850 1.854 1.00 0.00 H new ATOM 0 HA ILE A 82 -9.851 5.621 2.074 1.00 0.00 H new ATOM 0 HB ILE A 82 -11.531 7.416 1.801 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -13.765 5.581 1.215 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -13.296 5.597 2.903 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -12.286 6.834 -0.471 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -10.593 6.356 -0.198 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -11.881 5.128 -0.165 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -15.056 7.240 2.467 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -13.553 8.052 2.966 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -14.029 8.036 1.251 1.00 0.00 H new ATOM 893 N GLU A 83 -11.013 7.014 4.212 1.00 0.00 N ATOM 894 CA GLU A 83 -11.155 7.425 5.603 1.00 0.00 C ATOM 895 C GLU A 83 -12.295 6.670 6.281 1.00 0.00 C ATOM 896 O GLU A 83 -12.213 6.323 7.459 1.00 0.00 O ATOM 897 CB GLU A 83 -11.403 8.932 5.691 1.00 0.00 C ATOM 898 CG GLU A 83 -12.602 9.399 4.883 1.00 0.00 C ATOM 899 CD GLU A 83 -13.899 9.316 5.665 1.00 0.00 C ATOM 900 OE1 GLU A 83 -13.916 9.751 6.835 1.00 0.00 O ATOM 901 OE2 GLU A 83 -14.897 8.814 5.107 1.00 0.00 O ATOM 0 H GLU A 83 -10.890 7.784 3.555 1.00 0.00 H new ATOM 0 HA GLU A 83 -10.226 7.187 6.121 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -11.550 9.207 6.735 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -10.514 9.459 5.344 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -12.441 10.428 4.562 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -12.686 8.793 3.981 1.00 0.00 H new ATOM 906 N GLY A 84 -13.362 6.421 5.526 1.00 0.00 N ATOM 907 CA GLY A 84 -14.505 5.710 6.069 1.00 0.00 C ATOM 908 C GLY A 84 -15.593 5.487 5.037 1.00 0.00 C ATOM 909 O GLY A 84 -16.708 5.989 5.182 1.00 0.00 O ATOM 0 H GLY A 84 -13.455 6.699 4.549 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -14.177 4.747 6.461 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -14.914 6.273 6.908 1.00 0.00 H new ATOM 913 N HIS A 85 -15.269 4.734 3.991 1.00 0.00 N ATOM 914 CA HIS A 85 -16.227 4.446 2.931 1.00 0.00 C ATOM 915 C HIS A 85 -15.582 3.611 1.828 1.00 0.00 C ATOM 916 O HIS A 85 -14.362 3.446 1.793 1.00 0.00 O ATOM 917 CB HIS A 85 -16.777 5.747 2.345 1.00 0.00 C ATOM 918 CG HIS A 85 -18.270 5.842 2.394 1.00 0.00 C ATOM 919 ND1 HIS A 85 -18.942 7.000 2.729 1.00 0.00 N ATOM 920 CD2 HIS A 85 -19.225 4.914 2.148 1.00 0.00 C ATOM 921 CE1 HIS A 85 -20.243 6.780 2.688 1.00 0.00 C ATOM 922 NE2 HIS A 85 -20.443 5.521 2.336 1.00 0.00 N ATOM 0 H HIS A 85 -14.350 4.312 3.855 1.00 0.00 H new ATOM 0 HA HIS A 85 -17.048 3.874 3.363 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -16.350 6.590 2.888 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -16.449 5.836 1.309 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -19.060 3.887 1.858 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -21.013 7.505 2.905 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -21.353 5.074 2.223 1.00 0.00 H new ATOM 929 N VAL A 86 -16.408 3.087 0.929 1.00 0.00 N ATOM 930 CA VAL A 86 -15.920 2.269 -0.175 1.00 0.00 C ATOM 931 C VAL A 86 -16.316 2.869 -1.520 1.00 0.00 C ATOM 932 O VAL A 86 -17.448 2.705 -1.976 1.00 0.00 O ATOM 933 CB VAL A 86 -16.459 0.828 -0.088 1.00 0.00 C ATOM 934 CG1 VAL A 86 -15.970 0.004 -1.269 1.00 0.00 C ATOM 935 CG2 VAL A 86 -16.050 0.186 1.228 1.00 0.00 C ATOM 0 H VAL A 86 -17.420 3.214 0.943 1.00 0.00 H new ATOM 0 HA VAL A 86 -14.833 2.247 -0.096 1.00 0.00 H new ATOM 0 HB VAL A 86 -17.548 0.862 -0.126 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -16.360 -1.011 -1.191 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -16.318 0.456 -2.197 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -14.880 -0.025 -1.266 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -16.439 -0.831 1.273 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -14.963 0.162 1.299 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -16.455 0.766 2.057 1.00 0.00 H new ATOM 945 N VAL A 87 -15.374 3.563 -2.151 1.00 0.00 N ATOM 946 CA VAL A 87 -15.624 4.186 -3.446 1.00 0.00 C ATOM 947 C VAL A 87 -14.781 3.537 -4.540 1.00 0.00 C ATOM 948 O VAL A 87 -13.871 2.758 -4.256 1.00 0.00 O ATOM 949 CB VAL A 87 -15.322 5.695 -3.409 1.00 0.00 C ATOM 950 CG1 VAL A 87 -16.105 6.370 -2.293 1.00 0.00 C ATOM 951 CG2 VAL A 87 -13.830 5.937 -3.246 1.00 0.00 C ATOM 0 H VAL A 87 -14.432 3.708 -1.787 1.00 0.00 H new ATOM 0 HA VAL A 87 -16.681 4.039 -3.670 1.00 0.00 H new ATOM 0 HB VAL A 87 -15.636 6.133 -4.357 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -15.878 7.436 -2.283 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -17.173 6.228 -2.460 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -15.826 5.931 -1.335 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -13.636 7.009 -3.222 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -13.488 5.485 -2.315 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -13.295 5.490 -4.084 1.00 0.00 H new ATOM 961 N ILE A 88 -15.090 3.865 -5.789 1.00 0.00 N ATOM 962 CA ILE A 88 -14.361 3.316 -6.926 1.00 0.00 C ATOM 963 C ILE A 88 -14.454 4.237 -8.137 1.00 0.00 C ATOM 964 O ILE A 88 -15.295 4.060 -9.019 1.00 0.00 O ATOM 965 CB ILE A 88 -14.889 1.921 -7.313 1.00 0.00 C ATOM 966 CG1 ILE A 88 -14.224 1.440 -8.603 1.00 0.00 C ATOM 967 CG2 ILE A 88 -16.402 1.953 -7.470 1.00 0.00 C ATOM 968 CD1 ILE A 88 -14.239 -0.063 -8.767 1.00 0.00 C ATOM 0 H ILE A 88 -15.841 4.508 -6.040 1.00 0.00 H new ATOM 0 HA ILE A 88 -13.319 3.229 -6.619 1.00 0.00 H new ATOM 0 HB ILE A 88 -14.641 1.220 -6.516 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -14.730 1.895 -9.454 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -13.192 1.789 -8.622 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -16.760 0.961 -7.743 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -16.859 2.257 -6.528 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -16.672 2.664 -8.251 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -13.751 -0.332 -9.704 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -13.708 -0.525 -7.935 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -15.270 -0.417 -8.781 1.00 0.00 H new ATOM 979 N PRO A 89 -13.571 5.245 -8.183 1.00 0.00 N ATOM 980 CA PRO A 89 -13.532 6.214 -9.283 1.00 0.00 C ATOM 981 C PRO A 89 -13.039 5.591 -10.585 1.00 0.00 C ATOM 982 O PRO A 89 -12.073 4.831 -10.594 1.00 0.00 O ATOM 983 CB PRO A 89 -12.544 7.272 -8.787 1.00 0.00 C ATOM 984 CG PRO A 89 -11.669 6.551 -7.820 1.00 0.00 C ATOM 985 CD PRO A 89 -12.541 5.517 -7.165 1.00 0.00 C ATOM 0 HA PRO A 89 -14.521 6.610 -9.514 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -11.964 7.689 -9.610 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -13.062 8.103 -8.309 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -10.826 6.085 -8.329 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -11.255 7.237 -7.081 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -11.978 4.618 -6.913 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -12.979 5.889 -6.239 1.00 0.00 H new ATOM 990 N ARG A 90 -13.710 5.922 -11.683 1.00 0.00 N ATOM 991 CA ARG A 90 -13.341 5.395 -12.992 1.00 0.00 C ATOM 992 C ARG A 90 -13.550 6.446 -14.080 1.00 0.00 C ATOM 993 O ARG A 90 -14.619 7.051 -14.174 1.00 0.00 O ATOM 994 CB ARG A 90 -14.160 4.144 -13.311 1.00 0.00 C ATOM 995 CG ARG A 90 -13.518 2.856 -12.826 1.00 0.00 C ATOM 996 CD ARG A 90 -12.239 2.549 -13.591 1.00 0.00 C ATOM 997 NE ARG A 90 -12.474 1.639 -14.709 1.00 0.00 N ATOM 998 CZ ARG A 90 -11.503 1.134 -15.462 1.00 0.00 C ATOM 999 NH1 ARG A 90 -10.240 1.448 -15.219 1.00 0.00 N ATOM 1000 NH2 ARG A 90 -11.797 0.313 -16.462 1.00 0.00 N ATOM 0 H ARG A 90 -14.512 6.552 -11.693 1.00 0.00 H new ATOM 0 HA ARG A 90 -12.284 5.131 -12.965 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -15.147 4.241 -12.858 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -14.308 4.082 -14.389 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -13.296 2.937 -11.762 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -14.221 2.031 -12.944 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -11.808 3.478 -13.964 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -11.508 2.109 -12.913 1.00 0.00 H new ATOM 0 HE ARG A 90 -13.436 1.377 -14.923 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -10.010 2.079 -14.452 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -9.497 1.058 -15.799 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -12.769 0.069 -16.653 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -11.051 -0.074 -17.040 1.00 0.00 H new ATOM 1011 N ILE A 91 -12.525 6.654 -14.898 1.00 0.00 N ATOM 1012 CA ILE A 91 -12.598 7.630 -15.978 1.00 0.00 C ATOM 1013 C ILE A 91 -13.269 7.035 -17.211 1.00 0.00 C ATOM 1014 O ILE A 91 -14.366 7.445 -17.593 1.00 0.00 O ATOM 1015 CB ILE A 91 -11.199 8.144 -16.367 1.00 0.00 C ATOM 1016 CG1 ILE A 91 -10.516 8.791 -15.161 1.00 0.00 C ATOM 1017 CG2 ILE A 91 -11.300 9.133 -17.520 1.00 0.00 C ATOM 1018 CD1 ILE A 91 -9.005 8.735 -15.220 1.00 0.00 C ATOM 0 H ILE A 91 -11.635 6.160 -14.834 1.00 0.00 H new ATOM 0 HA ILE A 91 -13.194 8.465 -15.610 1.00 0.00 H new ATOM 0 HB ILE A 91 -10.594 7.297 -16.692 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -10.830 9.832 -15.091 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -10.855 8.294 -14.252 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -10.304 9.487 -17.784 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -11.750 8.642 -18.382 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -11.919 9.979 -17.221 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -8.588 9.212 -14.333 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -8.681 7.695 -15.259 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -8.656 9.257 -16.111 1.00 0.00 H new ATOM 1029 N HIS A 92 -12.606 6.064 -17.831 1.00 0.00 N ATOM 1030 CA HIS A 92 -13.140 5.410 -19.019 1.00 0.00 C ATOM 1031 C HIS A 92 -13.351 3.920 -18.772 1.00 0.00 C ATOM 1032 O HIS A 92 -12.675 3.067 -19.348 1.00 0.00 O ATOM 1033 CB HIS A 92 -12.197 5.615 -20.206 1.00 0.00 C ATOM 1034 CG HIS A 92 -12.712 5.034 -21.487 1.00 0.00 C ATOM 1035 ND1 HIS A 92 -14.052 4.820 -21.730 1.00 0.00 N ATOM 1036 CD2 HIS A 92 -12.059 4.622 -22.599 1.00 0.00 C ATOM 1037 CE1 HIS A 92 -14.201 4.301 -22.937 1.00 0.00 C ATOM 1038 NE2 HIS A 92 -13.006 4.173 -23.486 1.00 0.00 N ATOM 0 H HIS A 92 -11.697 5.713 -17.529 1.00 0.00 H new ATOM 0 HA HIS A 92 -14.105 5.861 -19.249 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -12.026 6.683 -20.344 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -11.232 5.165 -19.975 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -10.991 4.643 -22.759 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -15.140 4.028 -23.396 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -12.818 3.801 -24.417 1.00 0.00 H new ATOM 1045 N PRO A 93 -14.310 3.596 -17.892 1.00 0.00 N ATOM 1046 CA PRO A 93 -14.632 2.208 -17.548 1.00 0.00 C ATOM 1047 C PRO A 93 -15.300 1.464 -18.701 1.00 0.00 C ATOM 1048 O PRO A 93 -15.383 1.977 -19.816 1.00 0.00 O ATOM 1049 CB PRO A 93 -15.600 2.350 -16.371 1.00 0.00 C ATOM 1050 CG PRO A 93 -16.217 3.694 -16.548 1.00 0.00 C ATOM 1051 CD PRO A 93 -15.155 4.560 -17.167 1.00 0.00 C ATOM 0 HA PRO A 93 -13.739 1.628 -17.316 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -16.355 1.563 -16.382 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -15.077 2.277 -15.417 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -17.097 3.638 -17.189 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -16.545 4.102 -15.592 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -15.584 5.304 -17.839 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -14.588 5.103 -16.411 1.00 0.00 H new ATOM 1056 N ASN A 94 -15.776 0.256 -18.421 1.00 0.00 N ATOM 1057 CA ASN A 94 -16.437 -0.558 -19.436 1.00 0.00 C ATOM 1058 C ASN A 94 -17.545 -1.405 -18.816 1.00 0.00 C ATOM 1059 O ASN A 94 -17.815 -1.313 -17.620 1.00 0.00 O ATOM 1060 CB ASN A 94 -15.420 -1.463 -20.136 1.00 0.00 C ATOM 1061 CG ASN A 94 -15.707 -1.615 -21.616 1.00 0.00 C ATOM 1062 OD1 ASN A 94 -16.705 -1.102 -22.124 1.00 0.00 O ATOM 1063 ND2 ASN A 94 -14.830 -2.323 -22.319 1.00 0.00 N ATOM 0 H ASN A 94 -15.717 -0.181 -17.501 1.00 0.00 H new ATOM 0 HA ASN A 94 -16.883 0.113 -20.170 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -14.419 -1.052 -20.003 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -15.426 -2.446 -19.664 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -14.970 -2.459 -23.320 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -14.017 -2.730 -21.858 1.00 0.00 H new ATOM 1069 N SER A 95 -18.182 -2.229 -19.641 1.00 0.00 N ATOM 1070 CA SER A 95 -19.265 -3.091 -19.176 1.00 0.00 C ATOM 1071 C SER A 95 -18.755 -4.091 -18.142 1.00 0.00 C ATOM 1072 O SER A 95 -19.539 -4.694 -17.408 1.00 0.00 O ATOM 1073 CB SER A 95 -19.895 -3.833 -20.354 1.00 0.00 C ATOM 1074 OG SER A 95 -19.194 -5.031 -20.637 1.00 0.00 O ATOM 0 H SER A 95 -17.968 -2.319 -20.634 1.00 0.00 H new ATOM 0 HA SER A 95 -20.022 -2.463 -18.706 1.00 0.00 H new ATOM 0 HB2 SER A 95 -20.936 -4.062 -20.128 1.00 0.00 H new ATOM 0 HB3 SER A 95 -19.894 -3.191 -21.235 1.00 0.00 H new ATOM 0 HG SER A 95 -19.618 -5.487 -21.393 1.00 0.00 H new ATOM 1079 N ILE A 96 -17.439 -4.262 -18.093 1.00 0.00 N ATOM 1080 CA ILE A 96 -16.825 -5.189 -17.150 1.00 0.00 C ATOM 1081 C ILE A 96 -16.388 -4.470 -15.877 1.00 0.00 C ATOM 1082 O ILE A 96 -15.509 -4.940 -15.156 1.00 0.00 O ATOM 1083 CB ILE A 96 -15.605 -5.898 -17.770 1.00 0.00 C ATOM 1084 CG1 ILE A 96 -15.887 -6.260 -19.229 1.00 0.00 C ATOM 1085 CG2 ILE A 96 -15.253 -7.141 -16.969 1.00 0.00 C ATOM 1086 CD1 ILE A 96 -14.745 -6.991 -19.901 1.00 0.00 C ATOM 0 H ILE A 96 -16.777 -3.771 -18.695 1.00 0.00 H new ATOM 0 HA ILE A 96 -17.581 -5.934 -16.903 1.00 0.00 H new ATOM 0 HB ILE A 96 -14.754 -5.218 -17.742 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -16.782 -6.880 -19.275 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -16.102 -5.348 -19.786 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -14.390 -7.631 -17.419 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -15.016 -6.858 -15.943 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -16.101 -7.826 -16.970 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -15.014 -7.216 -20.933 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -13.853 -6.364 -19.887 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -14.544 -7.920 -19.368 1.00 0.00 H new ATOM 1097 N CYS A 97 -17.009 -3.327 -15.608 1.00 0.00 N ATOM 1098 CA CYS A 97 -16.687 -2.542 -14.423 1.00 0.00 C ATOM 1099 C CYS A 97 -17.955 -2.020 -13.755 1.00 0.00 C ATOM 1100 O CYS A 97 -18.607 -1.109 -14.265 1.00 0.00 O ATOM 1101 CB CYS A 97 -15.773 -1.371 -14.794 1.00 0.00 C ATOM 1102 SG CYS A 97 -14.680 -0.826 -13.442 1.00 0.00 S ATOM 0 H CYS A 97 -17.739 -2.923 -16.195 1.00 0.00 H new ATOM 0 HA CYS A 97 -16.167 -3.191 -13.718 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -15.161 -1.658 -15.649 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -16.389 -0.529 -15.111 1.00 0.00 H new ATOM 1106 N ALA A 98 -18.298 -2.602 -12.611 1.00 0.00 N ATOM 1107 CA ALA A 98 -19.487 -2.194 -11.871 1.00 0.00 C ATOM 1108 C ALA A 98 -20.719 -2.194 -12.770 1.00 0.00 C ATOM 1109 O ALA A 98 -21.626 -1.381 -12.594 1.00 0.00 O ATOM 1110 CB ALA A 98 -19.279 -0.819 -11.256 1.00 0.00 C ATOM 0 H ALA A 98 -17.769 -3.358 -12.176 1.00 0.00 H new ATOM 0 HA ALA A 98 -19.653 -2.916 -11.071 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -20.174 -0.527 -10.707 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -18.429 -0.850 -10.574 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -19.085 -0.093 -12.045 1.00 0.00 H new ATOM 1116 N ALA A 99 -20.743 -3.108 -13.734 1.00 0.00 N ATOM 1117 CA ALA A 99 -21.864 -3.214 -14.659 1.00 0.00 C ATOM 1118 C ALA A 99 -21.983 -1.963 -15.522 1.00 0.00 C ATOM 1119 O ALA A 99 -23.058 -1.377 -15.637 1.00 0.00 O ATOM 1120 CB ALA A 99 -23.158 -3.456 -13.895 1.00 0.00 C ATOM 0 H ALA A 99 -19.998 -3.786 -13.895 1.00 0.00 H new ATOM 0 HA ALA A 99 -21.680 -4.062 -15.318 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -23.987 -3.533 -14.599 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -23.077 -4.383 -13.327 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -23.338 -2.626 -13.212 1.00 0.00 H new ATOM 1126 N ASN A 100 -20.870 -1.560 -16.127 1.00 0.00 N ATOM 1127 CA ASN A 100 -20.849 -0.377 -16.980 1.00 0.00 C ATOM 1128 C ASN A 100 -21.181 0.879 -16.177 1.00 0.00 C ATOM 1129 O ASN A 100 -22.047 1.662 -16.562 1.00 0.00 O ATOM 1130 CB ASN A 100 -21.845 -0.536 -18.131 1.00 0.00 C ATOM 1131 CG ASN A 100 -21.432 0.245 -19.364 1.00 0.00 C ATOM 1132 OD1 ASN A 100 -20.902 1.353 -19.262 1.00 0.00 O ATOM 1133 ND2 ASN A 100 -21.674 -0.328 -20.537 1.00 0.00 N ATOM 0 H ASN A 100 -19.971 -2.035 -16.042 1.00 0.00 H new ATOM 0 HA ASN A 100 -19.844 -0.272 -17.388 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -21.936 -1.592 -18.386 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -22.830 -0.201 -17.805 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -21.419 0.151 -21.401 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -22.115 -1.247 -20.574 1.00 0.00 H new ATOM 1139 N ASN A 101 -20.483 1.061 -15.061 1.00 0.00 N ATOM 1140 CA ASN A 101 -20.702 2.219 -14.203 1.00 0.00 C ATOM 1141 C ASN A 101 -19.691 3.321 -14.509 1.00 0.00 C ATOM 1142 O ASN A 101 -18.640 3.068 -15.101 1.00 0.00 O ATOM 1143 CB ASN A 101 -20.604 1.817 -12.731 1.00 0.00 C ATOM 1144 CG ASN A 101 -21.585 2.576 -11.857 1.00 0.00 C ATOM 1145 OD1 ASN A 101 -21.189 3.367 -11.002 1.00 0.00 O ATOM 1146 ND2 ASN A 101 -22.874 2.336 -12.071 1.00 0.00 N ATOM 0 H ASN A 101 -19.761 0.421 -14.730 1.00 0.00 H new ATOM 0 HA ASN A 101 -21.703 2.602 -14.401 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -20.790 0.747 -12.636 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -19.590 1.997 -12.375 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -23.581 2.816 -11.515 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -23.156 1.671 -12.791 1.00 0.00 H new ATOM 1152 N THR A 102 -20.014 4.544 -14.101 1.00 0.00 N ATOM 1153 CA THR A 102 -19.136 5.684 -14.332 1.00 0.00 C ATOM 1154 C THR A 102 -19.064 6.580 -13.100 1.00 0.00 C ATOM 1155 O THR A 102 -19.816 6.399 -12.143 1.00 0.00 O ATOM 1156 CB THR A 102 -19.606 6.522 -15.534 1.00 0.00 C ATOM 1157 OG1 THR A 102 -20.853 7.157 -15.232 1.00 0.00 O ATOM 1158 CG2 THR A 102 -19.761 5.651 -16.772 1.00 0.00 C ATOM 0 H THR A 102 -20.878 4.770 -13.608 1.00 0.00 H new ATOM 0 HA THR A 102 -18.146 5.281 -14.545 1.00 0.00 H new ATOM 0 HB THR A 102 -18.852 7.283 -15.736 1.00 0.00 H new ATOM 0 HG1 THR A 102 -21.144 7.689 -16.002 1.00 0.00 H new ATOM 0 HG21 THR A 102 -20.094 6.265 -17.609 1.00 0.00 H new ATOM 0 HG22 THR A 102 -18.803 5.193 -17.017 1.00 0.00 H new ATOM 0 HG23 THR A 102 -20.497 4.871 -16.578 1.00 0.00 H new ATOM 1166 N GLY A 103 -18.152 7.547 -13.130 1.00 0.00 N ATOM 1167 CA GLY A 103 -18.000 8.458 -12.010 1.00 0.00 C ATOM 1168 C GLY A 103 -17.280 7.821 -10.839 1.00 0.00 C ATOM 1169 O GLY A 103 -16.315 7.077 -11.024 1.00 0.00 O ATOM 0 H GLY A 103 -17.516 7.716 -13.909 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -17.449 9.340 -12.335 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -18.984 8.798 -11.686 1.00 0.00 H new ATOM 1173 N VAL A 104 -17.745 8.113 -9.629 1.00 0.00 N ATOM 1174 CA VAL A 104 -17.138 7.563 -8.422 1.00 0.00 C ATOM 1175 C VAL A 104 -18.158 6.783 -7.600 1.00 0.00 C ATOM 1176 O VAL A 104 -18.633 7.259 -6.568 1.00 0.00 O ATOM 1177 CB VAL A 104 -16.529 8.674 -7.546 1.00 0.00 C ATOM 1178 CG1 VAL A 104 -15.865 8.077 -6.314 1.00 0.00 C ATOM 1179 CG2 VAL A 104 -15.538 9.502 -8.348 1.00 0.00 C ATOM 0 H VAL A 104 -18.541 8.728 -9.458 1.00 0.00 H new ATOM 0 HA VAL A 104 -16.345 6.888 -8.744 1.00 0.00 H new ATOM 0 HB VAL A 104 -17.331 9.333 -7.214 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -15.440 8.876 -5.706 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -16.606 7.532 -5.730 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -15.073 7.395 -6.622 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -15.118 10.282 -7.713 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -14.736 8.859 -8.711 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -16.048 9.960 -9.196 1.00 0.00 H new ATOM 1189 N TYR A 105 -18.491 5.585 -8.063 1.00 0.00 N ATOM 1190 CA TYR A 105 -19.457 4.739 -7.373 1.00 0.00 C ATOM 1191 C TYR A 105 -19.025 4.483 -5.932 1.00 0.00 C ATOM 1192 O TYR A 105 -17.832 4.401 -5.636 1.00 0.00 O ATOM 1193 CB TYR A 105 -19.623 3.410 -8.111 1.00 0.00 C ATOM 1194 CG TYR A 105 -20.974 2.764 -7.901 1.00 0.00 C ATOM 1195 CD1 TYR A 105 -22.144 3.421 -8.265 1.00 0.00 C ATOM 1196 CD2 TYR A 105 -21.082 1.500 -7.335 1.00 0.00 C ATOM 1197 CE1 TYR A 105 -23.381 2.835 -8.075 1.00 0.00 C ATOM 1198 CE2 TYR A 105 -22.314 0.907 -7.141 1.00 0.00 C ATOM 1199 CZ TYR A 105 -23.460 1.578 -7.512 1.00 0.00 C ATOM 1200 OH TYR A 105 -24.689 0.991 -7.320 1.00 0.00 O ATOM 0 H TYR A 105 -18.106 5.177 -8.915 1.00 0.00 H new ATOM 0 HA TYR A 105 -20.414 5.261 -7.360 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -19.471 3.575 -9.178 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -18.845 2.721 -7.781 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -22.085 4.406 -8.704 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -20.187 0.972 -7.042 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -24.280 3.358 -8.365 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -22.380 -0.077 -6.701 1.00 0.00 H new ATOM 0 HH TYR A 105 -24.569 0.107 -6.915 1.00 0.00 H new ATOM 1209 N ILE A 106 -20.002 4.358 -5.041 1.00 0.00 N ATOM 1210 CA ILE A 106 -19.723 4.109 -3.632 1.00 0.00 C ATOM 1211 C ILE A 106 -20.390 2.822 -3.158 1.00 0.00 C ATOM 1212 O ILE A 106 -21.537 2.834 -2.709 1.00 0.00 O ATOM 1213 CB ILE A 106 -20.200 5.278 -2.749 1.00 0.00 C ATOM 1214 CG1 ILE A 106 -19.719 6.610 -3.324 1.00 0.00 C ATOM 1215 CG2 ILE A 106 -19.706 5.099 -1.322 1.00 0.00 C ATOM 1216 CD1 ILE A 106 -20.205 7.815 -2.548 1.00 0.00 C ATOM 0 H ILE A 106 -20.994 4.425 -5.269 1.00 0.00 H new ATOM 0 HA ILE A 106 -18.642 4.010 -3.537 1.00 0.00 H new ATOM 0 HB ILE A 106 -21.290 5.284 -2.736 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -18.629 6.616 -3.343 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -20.056 6.693 -4.357 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -20.051 5.933 -0.710 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -20.096 4.165 -0.916 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -18.616 5.070 -1.315 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -19.825 8.725 -3.013 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -21.295 7.834 -2.551 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -19.846 7.755 -1.521 1.00 0.00 H new ATOM 1227 N LEU A 107 -19.664 1.714 -3.259 1.00 0.00 N ATOM 1228 CA LEU A 107 -20.184 0.418 -2.840 1.00 0.00 C ATOM 1229 C LEU A 107 -20.717 0.482 -1.412 1.00 0.00 C ATOM 1230 O LEU A 107 -19.959 0.686 -0.463 1.00 0.00 O ATOM 1231 CB LEU A 107 -19.094 -0.649 -2.943 1.00 0.00 C ATOM 1232 CG LEU A 107 -19.572 -2.071 -3.234 1.00 0.00 C ATOM 1233 CD1 LEU A 107 -20.540 -2.541 -2.160 1.00 0.00 C ATOM 1234 CD2 LEU A 107 -20.220 -2.145 -4.610 1.00 0.00 C ATOM 0 H LEU A 107 -18.713 1.688 -3.628 1.00 0.00 H new ATOM 0 HA LEU A 107 -21.007 0.152 -3.504 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -18.398 -0.354 -3.728 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -18.534 -0.660 -2.008 1.00 0.00 H new ATOM 0 HG LEU A 107 -18.706 -2.733 -3.226 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -20.869 -3.556 -2.385 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -20.042 -2.528 -1.190 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -21.404 -1.877 -2.133 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -20.554 -3.165 -4.800 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -21.075 -1.470 -4.646 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -19.495 -1.853 -5.370 1.00 0.00 H new ATOM 1306 N GLN A 113 -11.818 -8.240 0.486 1.00 0.00 N ATOM 1307 CA GLN A 113 -10.392 -7.972 0.355 1.00 0.00 C ATOM 1308 C GLN A 113 -10.091 -7.255 -0.957 1.00 0.00 C ATOM 1309 O GLN A 113 -10.440 -7.737 -2.035 1.00 0.00 O ATOM 1310 CB GLN A 113 -9.596 -9.276 0.430 1.00 0.00 C ATOM 1311 CG GLN A 113 -9.285 -9.716 1.852 1.00 0.00 C ATOM 1312 CD GLN A 113 -10.481 -10.335 2.546 1.00 0.00 C ATOM 1313 OE1 GLN A 113 -11.002 -9.786 3.518 1.00 0.00 O ATOM 1314 NE2 GLN A 113 -10.926 -11.483 2.050 1.00 0.00 N ATOM 0 HA GLN A 113 -10.094 -7.325 1.180 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -10.157 -10.064 -0.071 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -8.661 -9.154 -0.117 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -8.467 -10.436 1.835 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -8.941 -8.856 2.427 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -10.464 -11.903 1.243 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -11.730 -11.945 2.476 1.00 0.00 H new ATOM 1321 N TYR A 114 -9.443 -6.100 -0.859 1.00 0.00 N ATOM 1322 CA TYR A 114 -9.097 -5.314 -2.038 1.00 0.00 C ATOM 1323 C TYR A 114 -7.890 -4.424 -1.767 1.00 0.00 C ATOM 1324 O TYR A 114 -7.386 -4.368 -0.644 1.00 0.00 O ATOM 1325 CB TYR A 114 -10.289 -4.459 -2.475 1.00 0.00 C ATOM 1326 CG TYR A 114 -11.257 -5.187 -3.380 1.00 0.00 C ATOM 1327 CD1 TYR A 114 -10.973 -5.371 -4.728 1.00 0.00 C ATOM 1328 CD2 TYR A 114 -12.454 -5.691 -2.887 1.00 0.00 C ATOM 1329 CE1 TYR A 114 -11.856 -6.034 -5.558 1.00 0.00 C ATOM 1330 CE2 TYR A 114 -13.342 -6.355 -3.711 1.00 0.00 C ATOM 1331 CZ TYR A 114 -13.039 -6.524 -5.045 1.00 0.00 C ATOM 1332 OH TYR A 114 -13.920 -7.187 -5.869 1.00 0.00 O ATOM 0 H TYR A 114 -9.146 -5.687 0.025 1.00 0.00 H new ATOM 0 HA TYR A 114 -8.840 -6.006 -2.841 1.00 0.00 H new ATOM 0 HB2 TYR A 114 -10.822 -4.114 -1.589 1.00 0.00 H new ATOM 0 HB3 TYR A 114 -9.920 -3.572 -2.990 1.00 0.00 H new ATOM 0 HD1 TYR A 114 -10.047 -4.990 -5.133 1.00 0.00 H new ATOM 0 HD2 TYR A 114 -12.694 -5.562 -1.842 1.00 0.00 H new ATOM 0 HE1 TYR A 114 -11.621 -6.168 -6.604 1.00 0.00 H new ATOM 0 HE2 TYR A 114 -14.269 -6.740 -3.312 1.00 0.00 H new ATOM 0 HH TYR A 114 -14.703 -7.469 -5.352 1.00 0.00 H new ATOM 1341 N ASP A 115 -7.432 -3.725 -2.799 1.00 0.00 N ATOM 1342 CA ASP A 115 -6.284 -2.834 -2.672 1.00 0.00 C ATOM 1343 C ASP A 115 -6.535 -1.776 -1.603 1.00 0.00 C ATOM 1344 O ASP A 115 -7.612 -1.721 -1.006 1.00 0.00 O ATOM 1345 CB ASP A 115 -5.984 -2.160 -4.013 1.00 0.00 C ATOM 1346 CG ASP A 115 -4.527 -2.284 -4.408 1.00 0.00 C ATOM 1347 OD1 ASP A 115 -4.058 -3.425 -4.600 1.00 0.00 O ATOM 1348 OD2 ASP A 115 -3.855 -1.238 -4.527 1.00 0.00 O ATOM 0 H ASP A 115 -7.838 -3.758 -3.734 1.00 0.00 H new ATOM 0 HA ASP A 115 -5.422 -3.431 -2.373 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -6.607 -2.606 -4.788 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -6.253 -1.105 -3.955 1.00 0.00 H new ATOM 1352 N THR A 116 -5.532 -0.936 -1.361 1.00 0.00 N ATOM 1353 CA THR A 116 -5.642 0.119 -0.362 1.00 0.00 C ATOM 1354 C THR A 116 -5.010 1.415 -0.858 1.00 0.00 C ATOM 1355 O THR A 116 -3.909 1.408 -1.409 1.00 0.00 O ATOM 1356 CB THR A 116 -4.973 -0.291 0.963 1.00 0.00 C ATOM 1357 OG1 THR A 116 -5.257 0.679 1.976 1.00 0.00 O ATOM 1358 CG2 THR A 116 -3.467 -0.425 0.789 1.00 0.00 C ATOM 0 H THR A 116 -4.634 -0.967 -1.844 1.00 0.00 H new ATOM 0 HA THR A 116 -6.706 0.281 -0.189 1.00 0.00 H new ATOM 0 HB THR A 116 -5.376 -1.258 1.264 1.00 0.00 H new ATOM 0 HG1 THR A 116 -4.516 0.710 2.616 1.00 0.00 H new ATOM 0 HG21 THR A 116 -3.016 -0.715 1.738 1.00 0.00 H new ATOM 0 HG22 THR A 116 -3.254 -1.186 0.038 1.00 0.00 H new ATOM 0 HG23 THR A 116 -3.052 0.530 0.467 1.00 0.00 H new ATOM 1366 N TYR A 117 -5.713 2.524 -0.660 1.00 0.00 N ATOM 1367 CA TYR A 117 -5.222 3.828 -1.090 1.00 0.00 C ATOM 1368 C TYR A 117 -4.773 4.662 0.106 1.00 0.00 C ATOM 1369 O TYR A 117 -5.298 4.518 1.211 1.00 0.00 O ATOM 1370 CB TYR A 117 -6.307 4.574 -1.868 1.00 0.00 C ATOM 1371 CG TYR A 117 -6.925 3.758 -2.980 1.00 0.00 C ATOM 1372 CD1 TYR A 117 -6.144 2.929 -3.777 1.00 0.00 C ATOM 1373 CD2 TYR A 117 -8.289 3.815 -3.235 1.00 0.00 C ATOM 1374 CE1 TYR A 117 -6.705 2.182 -4.794 1.00 0.00 C ATOM 1375 CE2 TYR A 117 -8.859 3.070 -4.249 1.00 0.00 C ATOM 1376 CZ TYR A 117 -8.063 2.254 -5.026 1.00 0.00 C ATOM 1377 OH TYR A 117 -8.625 1.512 -6.038 1.00 0.00 O ATOM 0 H TYR A 117 -6.625 2.546 -0.204 1.00 0.00 H new ATOM 0 HA TYR A 117 -4.363 3.668 -1.741 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -7.091 4.882 -1.176 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -5.879 5.483 -2.291 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -5.081 2.868 -3.598 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -8.915 4.453 -2.630 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -6.083 1.544 -5.405 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -9.922 3.126 -4.432 1.00 0.00 H new ATOM 0 HH TYR A 117 -9.402 1.024 -5.693 1.00 0.00 H new ATOM 1386 N CYS A 118 -3.798 5.535 -0.122 1.00 0.00 N ATOM 1387 CA CYS A 118 -3.276 6.392 0.934 1.00 0.00 C ATOM 1388 C CYS A 118 -3.039 7.808 0.418 1.00 0.00 C ATOM 1389 O CYS A 118 -2.727 8.009 -0.757 1.00 0.00 O ATOM 1390 CB CYS A 118 -1.974 5.816 1.492 1.00 0.00 C ATOM 1391 SG CYS A 118 -2.149 4.159 2.227 1.00 0.00 S ATOM 0 H CYS A 118 -3.353 5.667 -1.030 1.00 0.00 H new ATOM 0 HA CYS A 118 -4.017 6.434 1.732 1.00 0.00 H new ATOM 0 HB2 CYS A 118 -1.237 5.770 0.691 1.00 0.00 H new ATOM 0 HB3 CYS A 118 -1.582 6.497 2.247 1.00 0.00 H new ATOM 1395 N PHE A 119 -3.188 8.789 1.302 1.00 0.00 N ATOM 1396 CA PHE A 119 -2.989 10.187 0.936 1.00 0.00 C ATOM 1397 C PHE A 119 -1.964 10.848 1.851 1.00 0.00 C ATOM 1398 O PHE A 119 -1.974 10.643 3.064 1.00 0.00 O ATOM 1399 CB PHE A 119 -4.317 10.947 1.005 1.00 0.00 C ATOM 1400 CG PHE A 119 -4.164 12.433 0.846 1.00 0.00 C ATOM 1401 CD1 PHE A 119 -3.726 12.975 -0.350 1.00 0.00 C ATOM 1402 CD2 PHE A 119 -4.460 13.287 1.896 1.00 0.00 C ATOM 1403 CE1 PHE A 119 -3.585 14.341 -0.499 1.00 0.00 C ATOM 1404 CE2 PHE A 119 -4.323 14.655 1.754 1.00 0.00 C ATOM 1405 CZ PHE A 119 -3.883 15.182 0.555 1.00 0.00 C ATOM 0 H PHE A 119 -3.446 8.642 2.278 1.00 0.00 H new ATOM 0 HA PHE A 119 -2.611 10.220 -0.086 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -4.982 10.573 0.227 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -4.797 10.739 1.961 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -3.491 12.321 -1.177 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -4.802 12.879 2.836 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -3.242 14.750 -1.438 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -4.559 15.311 2.579 1.00 0.00 H new ATOM 0 HZ PHE A 119 -3.772 16.250 0.442 1.00 0.00 H new ATOM 1414 N ASN A 120 -1.078 11.644 1.259 1.00 0.00 N ATOM 1415 CA ASN A 120 -0.044 12.336 2.019 1.00 0.00 C ATOM 1416 C ASN A 120 0.139 13.763 1.514 1.00 0.00 C ATOM 1417 O ASN A 120 0.366 13.988 0.326 1.00 0.00 O ATOM 1418 CB ASN A 120 1.281 11.575 1.927 1.00 0.00 C ATOM 1419 CG ASN A 120 2.155 11.787 3.148 1.00 0.00 C ATOM 1420 OD1 ASN A 120 1.660 12.073 4.237 1.00 0.00 O ATOM 1421 ND2 ASN A 120 3.464 11.647 2.970 1.00 0.00 N ATOM 0 H ASN A 120 -1.056 11.825 0.255 1.00 0.00 H new ATOM 0 HA ASN A 120 -0.360 12.377 3.061 1.00 0.00 H new ATOM 0 HB2 ASN A 120 1.078 10.511 1.809 1.00 0.00 H new ATOM 0 HB3 ASN A 120 1.821 11.897 1.037 1.00 0.00 H new ATOM 0 HD21 ASN A 120 4.102 11.778 3.755 1.00 0.00 H new ATOM 0 HD22 ASN A 120 3.831 11.409 2.048 1.00 0.00 H new ATOM 1427 N ALA A 121 0.040 14.725 2.426 1.00 0.00 N ATOM 1428 CA ALA A 121 0.197 16.130 2.074 1.00 0.00 C ATOM 1429 C ALA A 121 1.635 16.438 1.667 1.00 0.00 C ATOM 1430 O ALA A 121 1.901 17.438 1.003 1.00 0.00 O ATOM 1431 CB ALA A 121 -0.224 17.016 3.237 1.00 0.00 C ATOM 0 H ALA A 121 -0.148 14.556 3.414 1.00 0.00 H new ATOM 0 HA ALA A 121 -0.448 16.338 1.220 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -0.101 18.063 2.960 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -1.269 16.825 3.480 1.00 0.00 H new ATOM 0 HB3 ALA A 121 0.397 16.796 4.106 1.00 0.00 H new ATOM 1437 N SER A 122 2.557 15.568 2.071 1.00 0.00 N ATOM 1438 CA SER A 122 3.969 15.750 1.752 1.00 0.00 C ATOM 1439 C SER A 122 4.163 15.973 0.256 1.00 0.00 C ATOM 1440 O SER A 122 4.595 17.042 -0.174 1.00 0.00 O ATOM 1441 CB SER A 122 4.775 14.532 2.208 1.00 0.00 C ATOM 1442 OG SER A 122 4.690 14.359 3.611 1.00 0.00 O ATOM 0 H SER A 122 2.352 14.732 2.619 1.00 0.00 H new ATOM 0 HA SER A 122 4.327 16.633 2.281 1.00 0.00 H new ATOM 0 HB2 SER A 122 4.405 13.638 1.705 1.00 0.00 H new ATOM 0 HB3 SER A 122 5.818 14.653 1.916 1.00 0.00 H new ATOM 0 HG SER A 122 5.569 14.518 4.014 1.00 0.00 H new ATOM 1447 N ALA A 123 3.840 14.954 -0.536 1.00 0.00 N ATOM 1448 CA ALA A 123 3.978 15.038 -1.983 1.00 0.00 C ATOM 1449 C ALA A 123 3.295 16.288 -2.528 1.00 0.00 C ATOM 1450 O ALA A 123 2.436 16.889 -1.881 1.00 0.00 O ATOM 1451 CB ALA A 123 3.403 13.793 -2.642 1.00 0.00 C ATOM 0 H ALA A 123 3.481 14.061 -0.198 1.00 0.00 H new ATOM 0 HA ALA A 123 5.040 15.103 -2.218 1.00 0.00 H new ATOM 0 HB1 ALA A 123 3.513 13.870 -3.724 1.00 0.00 H new ATOM 0 HB2 ALA A 123 3.937 12.913 -2.285 1.00 0.00 H new ATOM 0 HB3 ALA A 123 2.346 13.703 -2.390 1.00 0.00 H new ATOM 1457 N PRO A 124 3.684 16.693 -3.747 1.00 0.00 N ATOM 1458 CA PRO A 124 3.122 17.877 -4.405 1.00 0.00 C ATOM 1459 C PRO A 124 1.671 17.670 -4.828 1.00 0.00 C ATOM 1460 O PRO A 124 1.155 16.554 -4.834 1.00 0.00 O ATOM 1461 CB PRO A 124 4.018 18.059 -5.632 1.00 0.00 C ATOM 1462 CG PRO A 124 4.557 16.699 -5.912 1.00 0.00 C ATOM 1463 CD PRO A 124 4.702 16.028 -4.575 1.00 0.00 C ATOM 0 HA PRO A 124 3.103 18.743 -3.743 1.00 0.00 H new ATOM 0 HB2 PRO A 124 3.453 18.444 -6.481 1.00 0.00 H new ATOM 0 HB3 PRO A 124 4.820 18.770 -5.434 1.00 0.00 H new ATOM 0 HG2 PRO A 124 3.883 16.138 -6.559 1.00 0.00 H new ATOM 0 HG3 PRO A 124 5.517 16.758 -6.425 1.00 0.00 H new ATOM 0 HD2 PRO A 124 4.526 14.954 -4.643 1.00 0.00 H new ATOM 0 HD3 PRO A 124 5.703 16.161 -4.165 1.00 0.00 H new ATOM 1468 N PRO A 125 0.998 18.772 -5.192 1.00 0.00 N ATOM 1469 CA PRO A 125 -0.401 18.737 -5.626 1.00 0.00 C ATOM 1470 C PRO A 125 -0.571 18.065 -6.984 1.00 0.00 C ATOM 1471 O PRO A 125 -1.688 17.748 -7.394 1.00 0.00 O ATOM 1472 CB PRO A 125 -0.785 20.217 -5.710 1.00 0.00 C ATOM 1473 CG PRO A 125 0.504 20.928 -5.941 1.00 0.00 C ATOM 1474 CD PRO A 125 1.552 20.136 -5.210 1.00 0.00 C ATOM 0 HA PRO A 125 -1.024 18.159 -4.943 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -1.489 20.398 -6.522 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -1.265 20.555 -4.791 1.00 0.00 H new ATOM 0 HG2 PRO A 125 0.732 20.987 -7.005 1.00 0.00 H new ATOM 0 HG3 PRO A 125 0.457 21.951 -5.568 1.00 0.00 H new ATOM 0 HD2 PRO A 125 2.513 20.172 -5.722 1.00 0.00 H new ATOM 0 HD3 PRO A 125 1.713 20.517 -4.202 1.00 0.00 H new ATOM 1479 N GLU A 126 0.543 17.852 -7.677 1.00 0.00 N ATOM 1480 CA GLU A 126 0.517 17.218 -8.990 1.00 0.00 C ATOM 1481 C GLU A 126 1.161 15.835 -8.941 1.00 0.00 C ATOM 1482 O GLU A 126 1.476 15.325 -7.865 1.00 0.00 O ATOM 1483 CB GLU A 126 1.236 18.092 -10.018 1.00 0.00 C ATOM 1484 CG GLU A 126 2.719 18.268 -9.734 1.00 0.00 C ATOM 1485 CD GLU A 126 3.423 19.087 -10.799 1.00 0.00 C ATOM 1486 OE1 GLU A 126 3.280 20.328 -10.784 1.00 0.00 O ATOM 1487 OE2 GLU A 126 4.118 18.488 -11.645 1.00 0.00 O ATOM 0 H GLU A 126 1.475 18.109 -7.351 1.00 0.00 H new ATOM 0 HA GLU A 126 -0.525 17.103 -9.288 1.00 0.00 H new ATOM 0 HB2 GLU A 126 1.114 17.651 -11.007 1.00 0.00 H new ATOM 0 HB3 GLU A 126 0.761 19.073 -10.045 1.00 0.00 H new ATOM 0 HG2 GLU A 126 2.845 18.753 -8.766 1.00 0.00 H new ATOM 0 HG3 GLU A 126 3.191 17.288 -9.664 1.00 0.00 H new ATOM 1492 N GLU A 127 1.351 15.235 -10.110 1.00 0.00 N ATOM 1493 CA GLU A 127 1.958 13.912 -10.200 1.00 0.00 C ATOM 1494 C GLU A 127 3.445 13.971 -9.868 1.00 0.00 C ATOM 1495 O GLU A 127 4.168 14.841 -10.354 1.00 0.00 O ATOM 1496 CB GLU A 127 1.758 13.329 -11.602 1.00 0.00 C ATOM 1497 CG GLU A 127 2.489 14.098 -12.689 1.00 0.00 C ATOM 1498 CD GLU A 127 2.076 13.670 -14.084 1.00 0.00 C ATOM 1499 OE1 GLU A 127 0.971 14.052 -14.519 1.00 0.00 O ATOM 1500 OE2 GLU A 127 2.861 12.953 -14.740 1.00 0.00 O ATOM 0 H GLU A 127 1.094 15.643 -11.009 1.00 0.00 H new ATOM 0 HA GLU A 127 1.468 13.265 -9.472 1.00 0.00 H new ATOM 0 HB2 GLU A 127 2.099 12.294 -11.608 1.00 0.00 H new ATOM 0 HB3 GLU A 127 0.693 13.315 -11.832 1.00 0.00 H new ATOM 0 HG2 GLU A 127 2.296 15.164 -12.568 1.00 0.00 H new ATOM 0 HG3 GLU A 127 3.563 13.954 -12.572 1.00 0.00 H new ATOM 1505 N ASP A 128 3.897 13.038 -9.035 1.00 0.00 N ATOM 1506 CA ASP A 128 5.299 12.982 -8.637 1.00 0.00 C ATOM 1507 C ASP A 128 5.799 11.542 -8.612 1.00 0.00 C ATOM 1508 O ASP A 128 5.549 10.803 -7.659 1.00 0.00 O ATOM 1509 CB ASP A 128 5.486 13.626 -7.263 1.00 0.00 C ATOM 1510 CG ASP A 128 6.869 14.223 -7.087 1.00 0.00 C ATOM 1511 OD1 ASP A 128 7.142 15.276 -7.700 1.00 0.00 O ATOM 1512 OD2 ASP A 128 7.678 13.638 -6.339 1.00 0.00 O ATOM 0 H ASP A 128 3.312 12.311 -8.623 1.00 0.00 H new ATOM 0 HA ASP A 128 5.883 13.537 -9.371 1.00 0.00 H new ATOM 0 HB2 ASP A 128 4.737 14.406 -7.125 1.00 0.00 H new ATOM 0 HB3 ASP A 128 5.315 12.879 -6.488 1.00 0.00 H new ATOM 1516 N CYS A 129 6.507 11.148 -9.665 1.00 0.00 N ATOM 1517 CA CYS A 129 7.042 9.796 -9.766 1.00 0.00 C ATOM 1518 C CYS A 129 8.339 9.664 -8.974 1.00 0.00 C ATOM 1519 O CYS A 129 9.382 9.303 -9.521 1.00 0.00 O ATOM 1520 CB CYS A 129 7.286 9.429 -11.230 1.00 0.00 C ATOM 1521 SG CYS A 129 5.813 8.794 -12.093 1.00 0.00 S ATOM 0 H CYS A 129 6.724 11.747 -10.462 1.00 0.00 H new ATOM 0 HA CYS A 129 6.308 9.109 -9.344 1.00 0.00 H new ATOM 0 HB2 CYS A 129 7.652 10.310 -11.758 1.00 0.00 H new ATOM 0 HB3 CYS A 129 8.074 8.678 -11.279 1.00 0.00 H new ATOM 1525 N THR A 130 8.269 9.959 -7.679 1.00 0.00 N ATOM 1526 CA THR A 130 9.438 9.875 -6.811 1.00 0.00 C ATOM 1527 C THR A 130 9.039 9.970 -5.343 1.00 0.00 C ATOM 1528 O THR A 130 7.895 10.286 -5.020 1.00 0.00 O ATOM 1529 CB THR A 130 10.455 10.987 -7.128 1.00 0.00 C ATOM 1530 OG1 THR A 130 9.796 12.083 -7.772 1.00 0.00 O ATOM 1531 CG2 THR A 130 11.569 10.464 -8.021 1.00 0.00 C ATOM 0 H THR A 130 7.415 10.258 -7.208 1.00 0.00 H new ATOM 0 HA THR A 130 9.902 8.906 -6.997 1.00 0.00 H new ATOM 0 HB THR A 130 10.893 11.326 -6.189 1.00 0.00 H new ATOM 0 HG1 THR A 130 9.125 12.462 -7.167 1.00 0.00 H new ATOM 0 HG21 THR A 130 12.275 11.268 -8.231 1.00 0.00 H new ATOM 0 HG22 THR A 130 12.087 9.649 -7.516 1.00 0.00 H new ATOM 0 HG23 THR A 130 11.145 10.100 -8.957 1.00 0.00 H new ATOM 1539 N SER A 131 9.991 9.693 -4.457 1.00 0.00 N ATOM 1540 CA SER A 131 9.738 9.744 -3.022 1.00 0.00 C ATOM 1541 C SER A 131 9.936 11.158 -2.485 1.00 0.00 C ATOM 1542 O SER A 131 10.527 12.011 -3.150 1.00 0.00 O ATOM 1543 CB SER A 131 10.662 8.774 -2.284 1.00 0.00 C ATOM 1544 OG SER A 131 11.895 9.391 -1.959 1.00 0.00 O ATOM 0 H SER A 131 10.944 9.431 -4.708 1.00 0.00 H new ATOM 0 HA SER A 131 8.702 9.450 -2.851 1.00 0.00 H new ATOM 0 HB2 SER A 131 10.175 8.425 -1.373 1.00 0.00 H new ATOM 0 HB3 SER A 131 10.843 7.896 -2.905 1.00 0.00 H new ATOM 0 HG SER A 131 12.467 8.751 -1.487 1.00 0.00 H new ATOM 1549 N VAL A 132 9.436 11.402 -1.278 1.00 0.00 N ATOM 1550 CA VAL A 132 9.558 12.713 -0.650 1.00 0.00 C ATOM 1551 C VAL A 132 9.792 12.583 0.850 1.00 0.00 C ATOM 1552 O VAL A 132 10.612 13.300 1.427 1.00 0.00 O ATOM 1553 CB VAL A 132 8.300 13.569 -0.890 1.00 0.00 C ATOM 1554 CG1 VAL A 132 8.474 14.955 -0.287 1.00 0.00 C ATOM 1555 CG2 VAL A 132 7.993 13.660 -2.377 1.00 0.00 C ATOM 0 H VAL A 132 8.942 10.709 -0.715 1.00 0.00 H new ATOM 0 HA VAL A 132 10.416 13.205 -1.108 1.00 0.00 H new ATOM 0 HB VAL A 132 7.455 13.088 -0.397 1.00 0.00 H new ATOM 0 HG11 VAL A 132 7.575 15.545 -0.466 1.00 0.00 H new ATOM 0 HG12 VAL A 132 8.642 14.866 0.786 1.00 0.00 H new ATOM 0 HG13 VAL A 132 9.330 15.448 -0.748 1.00 0.00 H new ATOM 0 HG21 VAL A 132 7.101 14.268 -2.528 1.00 0.00 H new ATOM 0 HG22 VAL A 132 8.836 14.117 -2.895 1.00 0.00 H new ATOM 0 HG23 VAL A 132 7.821 12.660 -2.775 1.00 0.00 H new ATOM 1565 N THR A 133 9.069 11.663 1.480 1.00 0.00 N ATOM 1566 CA THR A 133 9.198 11.439 2.915 1.00 0.00 C ATOM 1567 C THR A 133 9.091 9.956 3.252 1.00 0.00 C ATOM 1568 O THR A 133 8.348 9.215 2.606 1.00 0.00 O ATOM 1569 CB THR A 133 8.123 12.213 3.703 1.00 0.00 C ATOM 1570 OG1 THR A 133 8.110 11.779 5.067 1.00 0.00 O ATOM 1571 CG2 THR A 133 6.747 12.005 3.087 1.00 0.00 C ATOM 0 H THR A 133 8.387 11.060 1.019 1.00 0.00 H new ATOM 0 HA THR A 133 10.183 11.804 3.205 1.00 0.00 H new ATOM 0 HB THR A 133 8.366 13.275 3.661 1.00 0.00 H new ATOM 0 HG1 THR A 133 7.185 11.734 5.387 1.00 0.00 H new ATOM 0 HG21 THR A 133 6.004 12.561 3.660 1.00 0.00 H new ATOM 0 HG22 THR A 133 6.752 12.361 2.057 1.00 0.00 H new ATOM 0 HG23 THR A 133 6.498 10.944 3.103 1.00 0.00 H new ATOM 1579 N ASP A 134 9.836 9.530 4.265 1.00 0.00 N ATOM 1580 CA ASP A 134 9.824 8.134 4.689 1.00 0.00 C ATOM 1581 C ASP A 134 8.917 7.942 5.900 1.00 0.00 C ATOM 1582 O ASP A 134 8.250 8.878 6.346 1.00 0.00 O ATOM 1583 CB ASP A 134 11.242 7.667 5.019 1.00 0.00 C ATOM 1584 CG ASP A 134 11.901 8.523 6.082 1.00 0.00 C ATOM 1585 OD1 ASP A 134 11.586 8.334 7.276 1.00 0.00 O ATOM 1586 OD2 ASP A 134 12.733 9.383 5.720 1.00 0.00 O ATOM 0 H ASP A 134 10.456 10.131 4.808 1.00 0.00 H new ATOM 0 HA ASP A 134 9.434 7.533 3.867 1.00 0.00 H new ATOM 0 HB2 ASP A 134 11.211 6.632 5.358 1.00 0.00 H new ATOM 0 HB3 ASP A 134 11.848 7.687 4.113 1.00 0.00 H new ATOM 1590 N LEU A 135 8.895 6.725 6.429 1.00 0.00 N ATOM 1591 CA LEU A 135 8.068 6.408 7.590 1.00 0.00 C ATOM 1592 C LEU A 135 8.284 7.426 8.704 1.00 0.00 C ATOM 1593 O LEU A 135 9.342 8.048 8.816 1.00 0.00 O ATOM 1594 CB LEU A 135 8.388 5.002 8.100 1.00 0.00 C ATOM 1595 CG LEU A 135 8.484 3.908 7.036 1.00 0.00 C ATOM 1596 CD1 LEU A 135 9.939 3.622 6.697 1.00 0.00 C ATOM 1597 CD2 LEU A 135 7.787 2.641 7.508 1.00 0.00 C ATOM 0 H LEU A 135 9.440 5.940 6.073 1.00 0.00 H new ATOM 0 HA LEU A 135 7.023 6.447 7.283 1.00 0.00 H new ATOM 0 HB2 LEU A 135 9.334 5.040 8.640 1.00 0.00 H new ATOM 0 HB3 LEU A 135 7.621 4.715 8.820 1.00 0.00 H new ATOM 0 HG LEU A 135 7.983 4.260 6.134 1.00 0.00 H new ATOM 0 HD11 LEU A 135 9.989 2.841 5.938 1.00 0.00 H new ATOM 0 HD12 LEU A 135 10.409 4.529 6.316 1.00 0.00 H new ATOM 0 HD13 LEU A 135 10.463 3.291 7.594 1.00 0.00 H new ATOM 0 HD21 LEU A 135 7.866 1.874 6.738 1.00 0.00 H new ATOM 0 HD22 LEU A 135 8.259 2.286 8.424 1.00 0.00 H new ATOM 0 HD23 LEU A 135 6.736 2.854 7.701 1.00 0.00 H new ATOM 1608 N PRO A 136 7.259 7.602 9.552 1.00 0.00 N ATOM 1609 CA PRO A 136 7.312 8.542 10.675 1.00 0.00 C ATOM 1610 C PRO A 136 8.268 8.082 11.771 1.00 0.00 C ATOM 1611 O PRO A 136 8.877 8.899 12.459 1.00 0.00 O ATOM 1612 CB PRO A 136 5.872 8.558 11.194 1.00 0.00 C ATOM 1613 CG PRO A 136 5.307 7.241 10.784 1.00 0.00 C ATOM 1614 CD PRO A 136 5.969 6.895 9.479 1.00 0.00 C ATOM 0 HA PRO A 136 7.680 9.521 10.369 1.00 0.00 H new ATOM 0 HB2 PRO A 136 5.843 8.682 12.277 1.00 0.00 H new ATOM 0 HB3 PRO A 136 5.305 9.383 10.763 1.00 0.00 H new ATOM 0 HG2 PRO A 136 5.507 6.479 11.537 1.00 0.00 H new ATOM 0 HG3 PRO A 136 4.225 7.299 10.669 1.00 0.00 H new ATOM 0 HD2 PRO A 136 6.106 5.819 9.371 1.00 0.00 H new ATOM 0 HD3 PRO A 136 5.376 7.228 8.627 1.00 0.00 H new ATOM 1708 N THR A 144 8.151 -5.150 4.667 1.00 0.00 N ATOM 1709 CA THR A 144 9.071 -4.206 4.046 1.00 0.00 C ATOM 1710 C THR A 144 8.319 -3.178 3.208 1.00 0.00 C ATOM 1711 O THR A 144 7.107 -3.285 3.018 1.00 0.00 O ATOM 1712 CB THR A 144 10.099 -4.927 3.155 1.00 0.00 C ATOM 1713 OG1 THR A 144 10.239 -6.290 3.571 1.00 0.00 O ATOM 1714 CG2 THR A 144 11.451 -4.231 3.216 1.00 0.00 C ATOM 0 HA THR A 144 9.597 -3.697 4.854 1.00 0.00 H new ATOM 0 HB THR A 144 9.739 -4.897 2.127 1.00 0.00 H new ATOM 0 HG1 THR A 144 9.442 -6.562 4.073 1.00 0.00 H new ATOM 0 HG21 THR A 144 12.161 -4.758 2.579 1.00 0.00 H new ATOM 0 HG22 THR A 144 11.347 -3.203 2.870 1.00 0.00 H new ATOM 0 HG23 THR A 144 11.815 -4.233 4.243 1.00 0.00 H new ATOM 1722 N ILE A 145 9.046 -2.186 2.707 1.00 0.00 N ATOM 1723 CA ILE A 145 8.448 -1.139 1.888 1.00 0.00 C ATOM 1724 C ILE A 145 9.446 -0.600 0.868 1.00 0.00 C ATOM 1725 O ILE A 145 10.638 -0.482 1.153 1.00 0.00 O ATOM 1726 CB ILE A 145 7.931 0.027 2.750 1.00 0.00 C ATOM 1727 CG1 ILE A 145 7.333 1.122 1.863 1.00 0.00 C ATOM 1728 CG2 ILE A 145 9.056 0.589 3.608 1.00 0.00 C ATOM 1729 CD1 ILE A 145 8.313 2.221 1.517 1.00 0.00 C ATOM 0 H ILE A 145 10.050 -2.085 2.854 1.00 0.00 H new ATOM 0 HA ILE A 145 7.606 -1.592 1.365 1.00 0.00 H new ATOM 0 HB ILE A 145 7.148 -0.347 3.409 1.00 0.00 H new ATOM 0 HG12 ILE A 145 6.965 0.671 0.941 1.00 0.00 H new ATOM 0 HG13 ILE A 145 6.473 1.559 2.370 1.00 0.00 H new ATOM 0 HG21 ILE A 145 8.676 1.413 4.212 1.00 0.00 H new ATOM 0 HG22 ILE A 145 9.440 -0.194 4.262 1.00 0.00 H new ATOM 0 HG23 ILE A 145 9.858 0.951 2.965 1.00 0.00 H new ATOM 0 HD11 ILE A 145 7.821 2.962 0.887 1.00 0.00 H new ATOM 0 HD12 ILE A 145 8.663 2.698 2.432 1.00 0.00 H new ATOM 0 HD13 ILE A 145 9.162 1.796 0.982 1.00 0.00 H new ATOM 1740 N THR A 146 8.952 -0.272 -0.321 1.00 0.00 N ATOM 1741 CA THR A 146 9.798 0.255 -1.383 1.00 0.00 C ATOM 1742 C THR A 146 9.022 1.208 -2.284 1.00 0.00 C ATOM 1743 O THR A 146 7.975 0.851 -2.825 1.00 0.00 O ATOM 1744 CB THR A 146 10.393 -0.877 -2.241 1.00 0.00 C ATOM 1745 OG1 THR A 146 10.724 -1.998 -1.415 1.00 0.00 O ATOM 1746 CG2 THR A 146 11.634 -0.401 -2.981 1.00 0.00 C ATOM 0 H THR A 146 7.968 -0.362 -0.573 1.00 0.00 H new ATOM 0 HA THR A 146 10.610 0.799 -0.900 1.00 0.00 H new ATOM 0 HB THR A 146 9.645 -1.177 -2.975 1.00 0.00 H new ATOM 0 HG1 THR A 146 11.100 -2.713 -1.969 1.00 0.00 H new ATOM 0 HG21 THR A 146 12.036 -1.218 -3.580 1.00 0.00 H new ATOM 0 HG22 THR A 146 11.372 0.432 -3.633 1.00 0.00 H new ATOM 0 HG23 THR A 146 12.385 -0.076 -2.261 1.00 0.00 H new ATOM 1754 N ILE A 147 9.541 2.421 -2.443 1.00 0.00 N ATOM 1755 CA ILE A 147 8.897 3.424 -3.281 1.00 0.00 C ATOM 1756 C ILE A 147 9.565 3.508 -4.649 1.00 0.00 C ATOM 1757 O ILE A 147 10.718 3.112 -4.815 1.00 0.00 O ATOM 1758 CB ILE A 147 8.930 4.815 -2.619 1.00 0.00 C ATOM 1759 CG1 ILE A 147 7.955 5.762 -3.324 1.00 0.00 C ATOM 1760 CG2 ILE A 147 10.341 5.382 -2.647 1.00 0.00 C ATOM 1761 CD1 ILE A 147 7.698 7.041 -2.562 1.00 0.00 C ATOM 0 H ILE A 147 10.406 2.733 -2.002 1.00 0.00 H new ATOM 0 HA ILE A 147 7.859 3.114 -3.405 1.00 0.00 H new ATOM 0 HB ILE A 147 8.621 4.714 -1.579 1.00 0.00 H new ATOM 0 HG12 ILE A 147 8.350 6.009 -4.310 1.00 0.00 H new ATOM 0 HG13 ILE A 147 7.008 5.245 -3.480 1.00 0.00 H new ATOM 0 HG21 ILE A 147 10.348 6.365 -2.176 1.00 0.00 H new ATOM 0 HG22 ILE A 147 11.012 4.715 -2.105 1.00 0.00 H new ATOM 0 HG23 ILE A 147 10.676 5.473 -3.680 1.00 0.00 H new ATOM 0 HD11 ILE A 147 6.999 7.663 -3.121 1.00 0.00 H new ATOM 0 HD12 ILE A 147 7.274 6.804 -1.586 1.00 0.00 H new ATOM 0 HD13 ILE A 147 8.636 7.580 -2.429 1.00 0.00 H new ATOM 1772 N VAL A 148 8.832 4.031 -5.628 1.00 0.00 N ATOM 1773 CA VAL A 148 9.353 4.170 -6.982 1.00 0.00 C ATOM 1774 C VAL A 148 10.263 5.388 -7.097 1.00 0.00 C ATOM 1775 O VAL A 148 10.009 6.426 -6.486 1.00 0.00 O ATOM 1776 CB VAL A 148 8.215 4.294 -8.011 1.00 0.00 C ATOM 1777 CG1 VAL A 148 7.458 2.981 -8.131 1.00 0.00 C ATOM 1778 CG2 VAL A 148 7.275 5.430 -7.632 1.00 0.00 C ATOM 0 H VAL A 148 7.876 4.365 -5.508 1.00 0.00 H new ATOM 0 HA VAL A 148 9.928 3.269 -7.195 1.00 0.00 H new ATOM 0 HB VAL A 148 8.651 4.524 -8.983 1.00 0.00 H new ATOM 0 HG11 VAL A 148 6.657 3.088 -8.863 1.00 0.00 H new ATOM 0 HG12 VAL A 148 8.141 2.195 -8.453 1.00 0.00 H new ATOM 0 HG13 VAL A 148 7.032 2.717 -7.163 1.00 0.00 H new ATOM 0 HG21 VAL A 148 6.477 5.503 -8.370 1.00 0.00 H new ATOM 0 HG22 VAL A 148 6.844 5.234 -6.650 1.00 0.00 H new ATOM 0 HG23 VAL A 148 7.830 6.368 -7.604 1.00 0.00 H new