USER MOD reduce.3.24.130724 H: found=0, std=0, add=423, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 424 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 105 THR OG1 : rot 177:sc= -0.187 USER MOD Set 1.2: A 107 GLN : amide:sc= -2.67 K(o=-2.9,f=-7.8!) USER MOD Single : A 70 HIS : no HE2:sc= -5.56! C(o=-5.6!,f=-6.1!) USER MOD Single : A 71 SER OG : rot 180:sc= 0.0813 USER MOD Single : A 72 TYR OH : rot 61:sc= -1.08! USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=-0.076) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -128:sc= -2.89 (180deg=-7.37!) USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 SER OG : rot 180:sc= -0.0854 USER MOD Single : A 104 THR OG1 : rot 128:sc= 0.915 USER MOD Single : A 114 ASN : amide:sc= -1.4 K(o=-1.4,f=-6.6!) USER MOD Single : A 118 LYS NZ :NH3+ -157:sc= -0.0754 (180deg=-0.387) USER MOD Single : A 120 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD ----------------------------------------------------------------- ATOM 15 N LEU A 65 1.062 3.839 10.709 1.00 0.00 N ATOM 16 CA LEU A 65 0.174 4.583 9.845 1.00 0.00 C ATOM 17 C LEU A 65 0.943 5.372 8.808 1.00 0.00 C ATOM 18 O LEU A 65 2.012 5.922 9.074 1.00 0.00 O ATOM 19 CB LEU A 65 -0.729 5.517 10.640 1.00 0.00 C ATOM 20 CG LEU A 65 -1.459 6.556 9.807 1.00 0.00 C ATOM 21 CD1 LEU A 65 -2.321 5.872 8.761 1.00 0.00 C ATOM 22 CD2 LEU A 65 -2.298 7.468 10.689 1.00 0.00 C ATOM 0 HA LEU A 65 -0.451 3.852 9.333 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.465 4.919 11.176 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.127 6.030 11.390 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.720 7.175 9.299 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.841 6.625 8.169 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.691 5.268 8.108 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.052 5.231 9.254 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.811 8.203 10.069 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.034 6.874 11.231 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.651 7.981 11.401 1.00 0.00 H new ATOM 34 N VAL A 66 0.374 5.404 7.625 1.00 0.00 N ATOM 35 CA VAL A 66 0.963 6.104 6.501 1.00 0.00 C ATOM 36 C VAL A 66 0.002 7.113 5.887 1.00 0.00 C ATOM 37 O VAL A 66 -1.119 7.296 6.356 1.00 0.00 O ATOM 38 CB VAL A 66 1.380 5.118 5.411 1.00 0.00 C ATOM 39 CG1 VAL A 66 2.697 4.451 5.765 1.00 0.00 C ATOM 40 CG2 VAL A 66 0.292 4.082 5.173 1.00 0.00 C ATOM 0 H VAL A 66 -0.512 4.945 7.412 1.00 0.00 H new ATOM 0 HA VAL A 66 1.833 6.634 6.889 1.00 0.00 H new ATOM 0 HB VAL A 66 1.521 5.675 4.485 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.975 3.753 4.975 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.473 5.210 5.869 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.590 3.911 6.706 1.00 0.00 H new ATOM 0 HG21 VAL A 66 0.612 3.391 4.393 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.108 3.529 6.094 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.625 4.582 4.861 1.00 0.00 H new ATOM 50 N ILE A 67 0.456 7.755 4.820 1.00 0.00 N ATOM 51 CA ILE A 67 -0.349 8.733 4.116 1.00 0.00 C ATOM 52 C ILE A 67 -0.060 8.689 2.620 1.00 0.00 C ATOM 53 O ILE A 67 1.089 8.780 2.190 1.00 0.00 O ATOM 54 CB ILE A 67 -0.142 10.161 4.682 1.00 0.00 C ATOM 55 CG1 ILE A 67 -1.389 10.557 5.460 1.00 0.00 C ATOM 56 CG2 ILE A 67 0.143 11.170 3.578 1.00 0.00 C ATOM 57 CD1 ILE A 67 -1.441 12.009 5.885 1.00 0.00 C ATOM 0 H ILE A 67 1.385 7.612 4.424 1.00 0.00 H new ATOM 0 HA ILE A 67 -1.396 8.474 4.272 1.00 0.00 H new ATOM 0 HB ILE A 67 0.727 10.159 5.340 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -2.265 10.341 4.848 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -1.459 9.931 6.349 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.282 12.159 4.016 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.048 10.879 3.044 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -0.696 11.196 2.883 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.365 12.195 6.432 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.588 12.231 6.527 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.407 12.648 5.003 1.00 0.00 H new ATOM 69 N ALA A 68 -1.118 8.529 1.839 1.00 0.00 N ATOM 70 CA ALA A 68 -0.999 8.444 0.387 1.00 0.00 C ATOM 71 C ALA A 68 -0.440 9.725 -0.219 1.00 0.00 C ATOM 72 O ALA A 68 -0.613 10.817 0.324 1.00 0.00 O ATOM 73 CB ALA A 68 -2.347 8.114 -0.234 1.00 0.00 C ATOM 0 H ALA A 68 -2.074 8.455 2.187 1.00 0.00 H new ATOM 0 HA ALA A 68 -0.293 7.643 0.165 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.244 8.054 -1.317 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.700 7.157 0.151 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.065 8.894 0.019 1.00 0.00 H new ATOM 79 N LEU A 69 0.227 9.575 -1.358 1.00 0.00 N ATOM 80 CA LEU A 69 0.815 10.703 -2.070 1.00 0.00 C ATOM 81 C LEU A 69 0.227 10.827 -3.475 1.00 0.00 C ATOM 82 O LEU A 69 0.755 11.553 -4.316 1.00 0.00 O ATOM 83 CB LEU A 69 2.331 10.525 -2.163 1.00 0.00 C ATOM 84 CG LEU A 69 3.076 10.652 -0.832 1.00 0.00 C ATOM 85 CD1 LEU A 69 4.571 10.422 -1.016 1.00 0.00 C ATOM 86 CD2 LEU A 69 2.823 12.021 -0.219 1.00 0.00 C ATOM 0 H LEU A 69 0.375 8.673 -1.811 1.00 0.00 H new ATOM 0 HA LEU A 69 0.586 11.614 -1.516 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.542 9.544 -2.589 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.728 11.266 -2.857 1.00 0.00 H new ATOM 0 HG LEU A 69 2.698 9.885 -0.156 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.075 10.518 -0.054 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.739 9.422 -1.415 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.970 11.161 -1.710 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.358 12.100 0.727 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.175 12.795 -0.901 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.755 12.150 -0.044 1.00 0.00 H new ATOM 98 N HIS A 70 -0.863 10.103 -3.725 1.00 0.00 N ATOM 99 CA HIS A 70 -1.513 10.121 -5.032 1.00 0.00 C ATOM 100 C HIS A 70 -2.880 9.445 -4.961 1.00 0.00 C ATOM 101 O HIS A 70 -3.052 8.448 -4.261 1.00 0.00 O ATOM 102 CB HIS A 70 -0.643 9.417 -6.090 1.00 0.00 C ATOM 103 CG HIS A 70 0.579 8.733 -5.543 1.00 0.00 C ATOM 104 ND1 HIS A 70 1.790 8.719 -6.203 1.00 0.00 N ATOM 105 CD2 HIS A 70 0.777 8.048 -4.391 1.00 0.00 C ATOM 106 CE1 HIS A 70 2.676 8.058 -5.482 1.00 0.00 C ATOM 107 NE2 HIS A 70 2.090 7.641 -4.376 1.00 0.00 N ATOM 0 H HIS A 70 -1.313 9.497 -3.039 1.00 0.00 H new ATOM 0 HA HIS A 70 -1.644 11.163 -5.323 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -1.254 8.679 -6.611 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -0.330 10.152 -6.831 1.00 0.00 H new ATOM 0 HD1 HIS A 70 1.973 9.152 -7.108 1.00 0.00 H new ATOM 0 HD2 HIS A 70 0.039 7.857 -3.626 1.00 0.00 H new ATOM 0 HE1 HIS A 70 3.708 7.887 -5.752 1.00 0.00 H new ATOM 116 N SER A 71 -3.849 9.987 -5.697 1.00 0.00 N ATOM 117 CA SER A 71 -5.194 9.420 -5.717 1.00 0.00 C ATOM 118 C SER A 71 -5.151 7.968 -6.175 1.00 0.00 C ATOM 119 O SER A 71 -4.623 7.662 -7.244 1.00 0.00 O ATOM 120 CB SER A 71 -6.104 10.229 -6.641 1.00 0.00 C ATOM 121 OG SER A 71 -5.633 11.558 -6.787 1.00 0.00 O ATOM 0 H SER A 71 -3.728 10.813 -6.283 1.00 0.00 H new ATOM 0 HA SER A 71 -5.596 9.460 -4.705 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.155 9.749 -7.618 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.117 10.241 -6.239 1.00 0.00 H new ATOM 0 HG SER A 71 -6.232 12.054 -7.384 1.00 0.00 H new ATOM 127 N TYR A 72 -5.689 7.074 -5.355 1.00 0.00 N ATOM 128 CA TYR A 72 -5.684 5.649 -5.685 1.00 0.00 C ATOM 129 C TYR A 72 -7.043 5.149 -6.157 1.00 0.00 C ATOM 130 O TYR A 72 -8.090 5.598 -5.690 1.00 0.00 O ATOM 131 CB TYR A 72 -5.242 4.816 -4.482 1.00 0.00 C ATOM 132 CG TYR A 72 -4.972 3.370 -4.829 1.00 0.00 C ATOM 133 CD1 TYR A 72 -4.179 3.031 -5.919 1.00 0.00 C ATOM 134 CD2 TYR A 72 -5.515 2.343 -4.070 1.00 0.00 C ATOM 135 CE1 TYR A 72 -3.937 1.709 -6.241 1.00 0.00 C ATOM 136 CE2 TYR A 72 -5.278 1.020 -4.386 1.00 0.00 C ATOM 137 CZ TYR A 72 -4.490 0.710 -5.471 1.00 0.00 C ATOM 138 OH TYR A 72 -4.258 -0.606 -5.790 1.00 0.00 O ATOM 0 H TYR A 72 -6.131 7.304 -4.465 1.00 0.00 H new ATOM 0 HA TYR A 72 -4.976 5.531 -6.505 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -4.340 5.255 -4.055 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -6.013 4.861 -3.713 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -3.745 3.813 -6.524 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -6.133 2.583 -3.218 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -3.318 1.461 -7.091 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -5.709 0.233 -3.785 1.00 0.00 H new ATOM 0 HH TYR A 72 -3.296 -0.789 -5.745 1.00 0.00 H new ATOM 148 N GLU A 73 -7.003 4.191 -7.080 1.00 0.00 N ATOM 149 CA GLU A 73 -8.198 3.580 -7.625 1.00 0.00 C ATOM 150 C GLU A 73 -8.012 2.066 -7.720 1.00 0.00 C ATOM 151 O GLU A 73 -7.464 1.554 -8.697 1.00 0.00 O ATOM 152 CB GLU A 73 -8.499 4.160 -8.991 1.00 0.00 C ATOM 153 CG GLU A 73 -9.812 4.911 -9.049 1.00 0.00 C ATOM 154 CD GLU A 73 -9.948 5.757 -10.300 1.00 0.00 C ATOM 155 OE1 GLU A 73 -10.286 5.195 -11.363 1.00 0.00 O ATOM 156 OE2 GLU A 73 -9.716 6.981 -10.216 1.00 0.00 O ATOM 0 H GLU A 73 -6.135 3.820 -7.468 1.00 0.00 H new ATOM 0 HA GLU A 73 -9.039 3.789 -6.964 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.691 4.833 -9.278 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -8.518 3.353 -9.724 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -10.636 4.198 -9.006 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -9.899 5.551 -8.171 1.00 0.00 H new ATOM 163 N PRO A 74 -8.463 1.338 -6.689 1.00 0.00 N ATOM 164 CA PRO A 74 -8.361 -0.115 -6.601 1.00 0.00 C ATOM 165 C PRO A 74 -8.559 -0.817 -7.941 1.00 0.00 C ATOM 166 O PRO A 74 -9.594 -0.668 -8.590 1.00 0.00 O ATOM 167 CB PRO A 74 -9.485 -0.492 -5.620 1.00 0.00 C ATOM 168 CG PRO A 74 -10.088 0.800 -5.153 1.00 0.00 C ATOM 169 CD PRO A 74 -9.110 1.882 -5.510 1.00 0.00 C ATOM 0 HA PRO A 74 -7.367 -0.426 -6.279 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -10.234 -1.116 -6.108 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -9.092 -1.064 -4.779 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -11.051 0.974 -5.633 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -10.267 0.778 -4.078 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -9.609 2.828 -5.720 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -8.399 2.069 -4.705 1.00 0.00 H new ATOM 177 N SER A 75 -7.552 -1.588 -8.342 1.00 0.00 N ATOM 178 CA SER A 75 -7.600 -2.325 -9.599 1.00 0.00 C ATOM 179 C SER A 75 -7.457 -3.824 -9.346 1.00 0.00 C ATOM 180 O SER A 75 -8.147 -4.637 -9.961 1.00 0.00 O ATOM 181 CB SER A 75 -6.495 -1.843 -10.543 1.00 0.00 C ATOM 182 OG SER A 75 -5.570 -1.009 -9.867 1.00 0.00 O ATOM 0 H SER A 75 -6.690 -1.718 -7.812 1.00 0.00 H new ATOM 0 HA SER A 75 -8.567 -2.141 -10.068 1.00 0.00 H new ATOM 0 HB2 SER A 75 -5.973 -2.702 -10.965 1.00 0.00 H new ATOM 0 HB3 SER A 75 -6.938 -1.298 -11.377 1.00 0.00 H new ATOM 0 HG SER A 75 -4.875 -0.717 -10.493 1.00 0.00 H new ATOM 188 N HIS A 76 -6.558 -4.182 -8.432 1.00 0.00 N ATOM 189 CA HIS A 76 -6.328 -5.581 -8.093 1.00 0.00 C ATOM 190 C HIS A 76 -7.393 -6.083 -7.122 1.00 0.00 C ATOM 191 O HIS A 76 -8.045 -5.292 -6.439 1.00 0.00 O ATOM 192 CB HIS A 76 -4.935 -5.761 -7.481 1.00 0.00 C ATOM 193 CG HIS A 76 -3.868 -6.042 -8.493 1.00 0.00 C ATOM 194 ND1 HIS A 76 -3.248 -7.268 -8.612 1.00 0.00 N ATOM 195 CD2 HIS A 76 -3.312 -5.248 -9.438 1.00 0.00 C ATOM 196 CE1 HIS A 76 -2.356 -7.214 -9.586 1.00 0.00 C ATOM 197 NE2 HIS A 76 -2.375 -6.000 -10.102 1.00 0.00 N ATOM 0 H HIS A 76 -5.978 -3.522 -7.914 1.00 0.00 H new ATOM 0 HA HIS A 76 -6.389 -6.167 -9.010 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -4.671 -4.860 -6.928 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -4.966 -6.579 -6.761 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -3.560 -4.215 -9.633 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -1.720 -8.026 -9.905 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -1.789 -5.673 -10.870 1.00 0.00 H new ATOM 206 N ASP A 77 -7.567 -7.399 -7.066 1.00 0.00 N ATOM 207 CA ASP A 77 -8.556 -8.003 -6.178 1.00 0.00 C ATOM 208 C ASP A 77 -8.168 -7.806 -4.716 1.00 0.00 C ATOM 209 O ASP A 77 -6.989 -7.850 -4.365 1.00 0.00 O ATOM 210 CB ASP A 77 -8.700 -9.495 -6.482 1.00 0.00 C ATOM 211 CG ASP A 77 -10.100 -10.008 -6.207 1.00 0.00 C ATOM 212 OD1 ASP A 77 -10.468 -10.119 -5.018 1.00 0.00 O ATOM 213 OD2 ASP A 77 -10.829 -10.298 -7.178 1.00 0.00 O ATOM 0 H ASP A 77 -7.037 -8.068 -7.624 1.00 0.00 H new ATOM 0 HA ASP A 77 -9.512 -7.509 -6.351 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -8.448 -9.676 -7.527 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -7.985 -10.056 -5.880 1.00 0.00 H new ATOM 218 N GLY A 78 -9.169 -7.591 -3.867 1.00 0.00 N ATOM 219 CA GLY A 78 -8.912 -7.392 -2.453 1.00 0.00 C ATOM 220 C GLY A 78 -8.048 -6.178 -2.184 1.00 0.00 C ATOM 221 O GLY A 78 -7.151 -6.223 -1.344 1.00 0.00 O ATOM 0 H GLY A 78 -10.153 -7.551 -4.134 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -9.860 -7.282 -1.927 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.423 -8.278 -2.048 1.00 0.00 H new ATOM 225 N ASP A 79 -8.317 -5.087 -2.897 1.00 0.00 N ATOM 226 CA ASP A 79 -7.551 -3.860 -2.726 1.00 0.00 C ATOM 227 C ASP A 79 -8.387 -2.779 -2.051 1.00 0.00 C ATOM 228 O ASP A 79 -9.616 -2.790 -2.119 1.00 0.00 O ATOM 229 CB ASP A 79 -7.043 -3.354 -4.075 1.00 0.00 C ATOM 230 CG ASP A 79 -6.004 -4.275 -4.679 1.00 0.00 C ATOM 231 OD1 ASP A 79 -6.246 -5.500 -4.718 1.00 0.00 O ATOM 232 OD2 ASP A 79 -4.946 -3.773 -5.109 1.00 0.00 O ATOM 0 H ASP A 79 -9.058 -5.030 -3.596 1.00 0.00 H new ATOM 0 HA ASP A 79 -6.699 -4.087 -2.086 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -7.882 -3.256 -4.763 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -6.615 -2.359 -3.950 1.00 0.00 H new ATOM 237 N LEU A 80 -7.704 -1.844 -1.404 1.00 0.00 N ATOM 238 CA LEU A 80 -8.361 -0.743 -0.715 1.00 0.00 C ATOM 239 C LEU A 80 -8.074 0.570 -1.438 1.00 0.00 C ATOM 240 O LEU A 80 -6.925 0.870 -1.763 1.00 0.00 O ATOM 241 CB LEU A 80 -7.882 -0.672 0.743 1.00 0.00 C ATOM 242 CG LEU A 80 -7.962 0.704 1.406 1.00 0.00 C ATOM 243 CD1 LEU A 80 -9.410 1.108 1.641 1.00 0.00 C ATOM 244 CD2 LEU A 80 -7.189 0.707 2.716 1.00 0.00 C ATOM 0 H LEU A 80 -6.686 -1.827 -1.342 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.438 -0.913 -0.717 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.472 -1.373 1.333 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.848 -1.013 0.782 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.510 1.434 0.734 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -9.442 2.090 2.113 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -9.936 1.147 0.687 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -9.891 0.377 2.291 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.256 1.693 3.175 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.613 -0.037 3.390 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.144 0.467 2.522 1.00 0.00 H new ATOM 256 N GLY A 81 -9.120 1.346 -1.686 1.00 0.00 N ATOM 257 CA GLY A 81 -8.948 2.614 -2.367 1.00 0.00 C ATOM 258 C GLY A 81 -8.838 3.774 -1.405 1.00 0.00 C ATOM 259 O GLY A 81 -9.486 3.788 -0.358 1.00 0.00 O ATOM 0 H GLY A 81 -10.081 1.122 -1.429 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -8.052 2.572 -2.986 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -9.791 2.780 -3.038 1.00 0.00 H new ATOM 263 N PHE A 82 -8.016 4.749 -1.762 1.00 0.00 N ATOM 264 CA PHE A 82 -7.816 5.922 -0.929 1.00 0.00 C ATOM 265 C PHE A 82 -7.538 7.147 -1.780 1.00 0.00 C ATOM 266 O PHE A 82 -7.447 7.061 -3.005 1.00 0.00 O ATOM 267 CB PHE A 82 -6.660 5.702 0.049 1.00 0.00 C ATOM 268 CG PHE A 82 -5.508 4.924 -0.529 1.00 0.00 C ATOM 269 CD1 PHE A 82 -5.638 3.575 -0.816 1.00 0.00 C ATOM 270 CD2 PHE A 82 -4.294 5.543 -0.782 1.00 0.00 C ATOM 271 CE1 PHE A 82 -4.581 2.861 -1.345 1.00 0.00 C ATOM 272 CE2 PHE A 82 -3.231 4.829 -1.309 1.00 0.00 C ATOM 273 CZ PHE A 82 -3.378 3.488 -1.592 1.00 0.00 C ATOM 0 H PHE A 82 -7.475 4.750 -2.627 1.00 0.00 H new ATOM 0 HA PHE A 82 -8.732 6.087 -0.362 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -6.296 6.671 0.389 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -7.036 5.177 0.927 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -6.576 3.076 -0.624 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.176 6.594 -0.566 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -4.697 1.810 -1.566 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -2.289 5.322 -1.498 1.00 0.00 H new ATOM 0 HZ PHE A 82 -2.552 2.929 -2.007 1.00 0.00 H new ATOM 283 N GLU A 83 -7.408 8.289 -1.123 1.00 0.00 N ATOM 284 CA GLU A 83 -7.144 9.536 -1.818 1.00 0.00 C ATOM 285 C GLU A 83 -5.723 10.015 -1.549 1.00 0.00 C ATOM 286 O GLU A 83 -5.018 9.458 -0.708 1.00 0.00 O ATOM 287 CB GLU A 83 -8.148 10.594 -1.366 1.00 0.00 C ATOM 288 CG GLU A 83 -9.216 10.895 -2.400 1.00 0.00 C ATOM 289 CD GLU A 83 -9.438 12.383 -2.595 1.00 0.00 C ATOM 290 OE1 GLU A 83 -9.453 13.118 -1.586 1.00 0.00 O ATOM 291 OE2 GLU A 83 -9.599 12.812 -3.757 1.00 0.00 O ATOM 0 H GLU A 83 -7.481 8.377 -0.109 1.00 0.00 H new ATOM 0 HA GLU A 83 -7.249 9.369 -2.890 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -8.628 10.259 -0.446 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -7.613 11.514 -1.129 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -8.931 10.446 -3.352 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.153 10.429 -2.095 1.00 0.00 H new ATOM 298 N LYS A 84 -5.310 11.061 -2.253 1.00 0.00 N ATOM 299 CA LYS A 84 -3.981 11.616 -2.059 1.00 0.00 C ATOM 300 C LYS A 84 -3.935 12.325 -0.710 1.00 0.00 C ATOM 301 O LYS A 84 -4.794 13.149 -0.401 1.00 0.00 O ATOM 302 CB LYS A 84 -3.625 12.567 -3.203 1.00 0.00 C ATOM 303 CG LYS A 84 -2.478 13.519 -2.888 1.00 0.00 C ATOM 304 CD LYS A 84 -2.522 14.751 -3.773 1.00 0.00 C ATOM 305 CE LYS A 84 -1.873 14.496 -5.123 1.00 0.00 C ATOM 306 NZ LYS A 84 -0.544 15.156 -5.235 1.00 0.00 N ATOM 0 H LYS A 84 -5.873 11.538 -2.958 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.241 10.816 -2.063 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -3.363 11.978 -4.082 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -4.507 13.152 -3.463 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -2.529 13.819 -1.841 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.527 13.004 -3.026 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -3.558 15.057 -3.919 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -2.013 15.576 -3.274 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -1.759 13.423 -5.274 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -2.527 14.861 -5.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -0.135 14.957 -6.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -0.655 16.183 -5.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 0.089 14.789 -4.496 1.00 0.00 H new ATOM 320 N GLY A 85 -2.951 11.967 0.103 1.00 0.00 N ATOM 321 CA GLY A 85 -2.840 12.544 1.430 1.00 0.00 C ATOM 322 C GLY A 85 -3.657 11.764 2.441 1.00 0.00 C ATOM 323 O GLY A 85 -3.477 11.918 3.649 1.00 0.00 O ATOM 0 H GLY A 85 -2.227 11.288 -0.131 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.794 12.557 1.737 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.178 13.580 1.408 1.00 0.00 H new ATOM 327 N GLU A 86 -4.549 10.905 1.942 1.00 0.00 N ATOM 328 CA GLU A 86 -5.383 10.078 2.797 1.00 0.00 C ATOM 329 C GLU A 86 -4.512 9.279 3.748 1.00 0.00 C ATOM 330 O GLU A 86 -3.304 9.173 3.549 1.00 0.00 O ATOM 331 CB GLU A 86 -6.216 9.119 1.941 1.00 0.00 C ATOM 332 CG GLU A 86 -7.635 8.854 2.428 1.00 0.00 C ATOM 333 CD GLU A 86 -8.047 9.681 3.634 1.00 0.00 C ATOM 334 OE1 GLU A 86 -8.305 10.891 3.465 1.00 0.00 O ATOM 335 OE2 GLU A 86 -8.110 9.118 4.747 1.00 0.00 O ATOM 0 H GLU A 86 -4.708 10.769 0.944 1.00 0.00 H new ATOM 0 HA GLU A 86 -6.050 10.722 3.371 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -6.269 9.519 0.928 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -5.690 8.166 1.880 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -8.330 9.052 1.612 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -7.730 7.797 2.677 1.00 0.00 H new ATOM 342 N GLN A 87 -5.126 8.713 4.769 1.00 0.00 N ATOM 343 CA GLN A 87 -4.388 7.924 5.738 1.00 0.00 C ATOM 344 C GLN A 87 -4.950 6.520 5.843 1.00 0.00 C ATOM 345 O GLN A 87 -6.150 6.294 5.686 1.00 0.00 O ATOM 346 CB GLN A 87 -4.396 8.593 7.109 1.00 0.00 C ATOM 347 CG GLN A 87 -4.145 10.088 7.048 1.00 0.00 C ATOM 348 CD GLN A 87 -4.971 10.862 8.055 1.00 0.00 C ATOM 349 OE1 GLN A 87 -6.110 11.241 7.781 1.00 0.00 O ATOM 350 NE2 GLN A 87 -4.402 11.102 9.231 1.00 0.00 N ATOM 0 H GLN A 87 -6.127 8.783 4.949 1.00 0.00 H new ATOM 0 HA GLN A 87 -3.358 7.859 5.388 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -5.358 8.412 7.588 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -3.635 8.129 7.737 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -3.087 10.282 7.226 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -4.371 10.449 6.045 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -3.456 10.770 9.417 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -4.911 11.618 9.948 1.00 0.00 H new ATOM 359 N LEU A 88 -4.059 5.586 6.113 1.00 0.00 N ATOM 360 CA LEU A 88 -4.421 4.183 6.250 1.00 0.00 C ATOM 361 C LEU A 88 -3.527 3.513 7.267 1.00 0.00 C ATOM 362 O LEU A 88 -2.301 3.579 7.171 1.00 0.00 O ATOM 363 CB LEU A 88 -4.296 3.436 4.923 1.00 0.00 C ATOM 364 CG LEU A 88 -4.505 4.269 3.662 1.00 0.00 C ATOM 365 CD1 LEU A 88 -3.425 3.952 2.641 1.00 0.00 C ATOM 366 CD2 LEU A 88 -5.885 4.005 3.087 1.00 0.00 C ATOM 0 H LEU A 88 -3.065 5.775 6.244 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.460 4.147 6.576 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.305 2.984 4.876 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.019 2.620 4.919 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.435 5.326 3.917 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.584 4.552 1.745 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.447 4.182 3.063 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.469 2.894 2.382 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.025 4.604 2.187 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.979 2.948 2.838 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.643 4.273 3.823 1.00 0.00 H new ATOM 378 N ARG A 89 -4.140 2.852 8.222 1.00 0.00 N ATOM 379 CA ARG A 89 -3.402 2.153 9.237 1.00 0.00 C ATOM 380 C ARG A 89 -2.925 0.822 8.680 1.00 0.00 C ATOM 381 O ARG A 89 -3.701 -0.121 8.527 1.00 0.00 O ATOM 382 CB ARG A 89 -4.274 1.959 10.468 1.00 0.00 C ATOM 383 CG ARG A 89 -3.692 0.975 11.444 1.00 0.00 C ATOM 384 CD ARG A 89 -4.513 0.910 12.714 1.00 0.00 C ATOM 385 NE ARG A 89 -3.752 0.352 13.827 1.00 0.00 N ATOM 386 CZ ARG A 89 -4.302 -0.234 14.888 1.00 0.00 C ATOM 387 NH1 ARG A 89 -5.622 -0.334 14.991 1.00 0.00 N ATOM 388 NH2 ARG A 89 -3.532 -0.719 15.852 1.00 0.00 N ATOM 0 H ARG A 89 -5.154 2.786 8.313 1.00 0.00 H new ATOM 0 HA ARG A 89 -2.530 2.736 9.534 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -4.412 2.919 10.965 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -5.261 1.616 10.158 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -3.648 -0.013 10.986 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -2.668 1.260 11.685 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -4.857 1.911 12.975 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -5.401 0.303 12.541 1.00 0.00 H new ATOM 0 HE ARG A 89 -2.735 0.415 13.790 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -6.221 0.039 14.254 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -6.037 -0.784 15.807 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -2.517 -0.643 15.781 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -3.954 -1.168 16.665 1.00 0.00 H new ATOM 402 N ILE A 90 -1.647 0.770 8.350 1.00 0.00 N ATOM 403 CA ILE A 90 -1.049 -0.421 7.769 1.00 0.00 C ATOM 404 C ILE A 90 -1.183 -1.631 8.676 1.00 0.00 C ATOM 405 O ILE A 90 -0.554 -1.715 9.730 1.00 0.00 O ATOM 406 CB ILE A 90 0.439 -0.197 7.424 1.00 0.00 C ATOM 407 CG1 ILE A 90 0.610 1.088 6.617 1.00 0.00 C ATOM 408 CG2 ILE A 90 0.992 -1.376 6.645 1.00 0.00 C ATOM 409 CD1 ILE A 90 -0.067 1.052 5.262 1.00 0.00 C ATOM 0 H ILE A 90 -0.997 1.546 8.476 1.00 0.00 H new ATOM 0 HA ILE A 90 -1.600 -0.620 6.850 1.00 0.00 H new ATOM 0 HB ILE A 90 0.995 -0.105 8.357 1.00 0.00 H new ATOM 0 HG12 ILE A 90 0.209 1.923 7.191 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.674 1.279 6.477 1.00 0.00 H new ATOM 0 HG21 ILE A 90 2.042 -1.198 6.412 1.00 0.00 H new ATOM 0 HG22 ILE A 90 0.902 -2.282 7.244 1.00 0.00 H new ATOM 0 HG23 ILE A 90 0.430 -1.496 5.719 1.00 0.00 H new ATOM 0 HD11 ILE A 90 0.098 1.999 4.748 1.00 0.00 H new ATOM 0 HD12 ILE A 90 0.350 0.239 4.668 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -1.137 0.893 5.394 1.00 0.00 H new ATOM 421 N LEU A 91 -1.997 -2.576 8.230 1.00 0.00 N ATOM 422 CA LEU A 91 -2.221 -3.814 8.955 1.00 0.00 C ATOM 423 C LEU A 91 -1.051 -4.744 8.693 1.00 0.00 C ATOM 424 O LEU A 91 -0.465 -5.320 9.610 1.00 0.00 O ATOM 425 CB LEU A 91 -3.526 -4.447 8.481 1.00 0.00 C ATOM 426 CG LEU A 91 -4.692 -3.464 8.352 1.00 0.00 C ATOM 427 CD1 LEU A 91 -5.932 -4.142 7.796 1.00 0.00 C ATOM 428 CD2 LEU A 91 -4.990 -2.809 9.694 1.00 0.00 C ATOM 0 H LEU A 91 -2.519 -2.505 7.357 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.297 -3.623 10.025 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -3.356 -4.920 7.514 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.807 -5.237 9.178 1.00 0.00 H new ATOM 0 HG LEU A 91 -4.397 -2.688 7.646 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.740 -3.415 7.718 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -5.713 -4.548 6.809 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -6.234 -4.950 8.462 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.822 -2.113 9.583 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -5.253 -3.576 10.423 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.109 -2.268 10.039 1.00 0.00 H new ATOM 440 N GLU A 92 -0.704 -4.843 7.419 1.00 0.00 N ATOM 441 CA GLU A 92 0.416 -5.653 6.977 1.00 0.00 C ATOM 442 C GLU A 92 1.125 -4.949 5.829 1.00 0.00 C ATOM 443 O GLU A 92 0.524 -4.135 5.132 1.00 0.00 O ATOM 444 CB GLU A 92 -0.046 -7.045 6.557 1.00 0.00 C ATOM 445 CG GLU A 92 0.505 -8.136 7.454 1.00 0.00 C ATOM 446 CD GLU A 92 -0.581 -8.881 8.205 1.00 0.00 C ATOM 447 OE1 GLU A 92 -1.485 -9.437 7.546 1.00 0.00 O ATOM 448 OE2 GLU A 92 -0.527 -8.909 9.453 1.00 0.00 O ATOM 0 H GLU A 92 -1.193 -4.363 6.663 1.00 0.00 H new ATOM 0 HA GLU A 92 1.112 -5.777 7.806 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -1.135 -7.083 6.572 1.00 0.00 H new ATOM 0 HB3 GLU A 92 0.265 -7.233 5.529 1.00 0.00 H new ATOM 0 HG2 GLU A 92 1.074 -8.843 6.851 1.00 0.00 H new ATOM 0 HG3 GLU A 92 1.199 -7.696 8.170 1.00 0.00 H new ATOM 455 N GLN A 93 2.405 -5.234 5.651 1.00 0.00 N ATOM 456 CA GLN A 93 3.172 -4.587 4.600 1.00 0.00 C ATOM 457 C GLN A 93 4.111 -5.560 3.904 1.00 0.00 C ATOM 458 O GLN A 93 5.221 -5.197 3.515 1.00 0.00 O ATOM 459 CB GLN A 93 3.955 -3.416 5.179 1.00 0.00 C ATOM 460 CG GLN A 93 4.280 -3.598 6.635 1.00 0.00 C ATOM 461 CD GLN A 93 4.970 -2.394 7.246 1.00 0.00 C ATOM 462 OE1 GLN A 93 4.329 -1.546 7.868 1.00 0.00 O ATOM 463 NE2 GLN A 93 6.283 -2.312 7.070 1.00 0.00 N ATOM 0 H GLN A 93 2.930 -5.902 6.215 1.00 0.00 H new ATOM 0 HA GLN A 93 2.471 -4.220 3.850 1.00 0.00 H new ATOM 0 HB2 GLN A 93 4.881 -3.290 4.617 1.00 0.00 H new ATOM 0 HB3 GLN A 93 3.378 -2.500 5.052 1.00 0.00 H new ATOM 0 HG2 GLN A 93 3.360 -3.799 7.184 1.00 0.00 H new ATOM 0 HG3 GLN A 93 4.919 -4.473 6.752 1.00 0.00 H new ATOM 0 HE21 GLN A 93 6.774 -3.038 6.548 1.00 0.00 H new ATOM 0 HE22 GLN A 93 6.801 -1.523 7.457 1.00 0.00 H new ATOM 472 N SER A 94 3.654 -6.792 3.736 1.00 0.00 N ATOM 473 CA SER A 94 4.450 -7.807 3.072 1.00 0.00 C ATOM 474 C SER A 94 4.278 -7.707 1.562 1.00 0.00 C ATOM 475 O SER A 94 3.157 -7.630 1.060 1.00 0.00 O ATOM 476 CB SER A 94 4.056 -9.200 3.566 1.00 0.00 C ATOM 477 OG SER A 94 3.769 -10.077 2.489 1.00 0.00 O ATOM 0 H SER A 94 2.737 -7.110 4.051 1.00 0.00 H new ATOM 0 HA SER A 94 5.500 -7.641 3.313 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.865 -9.615 4.168 1.00 0.00 H new ATOM 0 HB3 SER A 94 3.184 -9.123 4.215 1.00 0.00 H new ATOM 0 HG SER A 94 3.523 -10.958 2.841 1.00 0.00 H new ATOM 483 N GLY A 95 5.393 -7.705 0.847 1.00 0.00 N ATOM 484 CA GLY A 95 5.337 -7.609 -0.598 1.00 0.00 C ATOM 485 C GLY A 95 5.012 -6.222 -1.086 1.00 0.00 C ATOM 486 O GLY A 95 4.564 -5.365 -0.324 1.00 0.00 O ATOM 0 H GLY A 95 6.333 -7.768 1.239 1.00 0.00 H new ATOM 0 HA2 GLY A 95 6.296 -7.919 -1.014 1.00 0.00 H new ATOM 0 HA3 GLY A 95 4.587 -8.305 -0.974 1.00 0.00 H new ATOM 490 N GLU A 96 5.237 -6.013 -2.374 1.00 0.00 N ATOM 491 CA GLU A 96 4.974 -4.737 -3.018 1.00 0.00 C ATOM 492 C GLU A 96 3.587 -4.193 -2.650 1.00 0.00 C ATOM 493 O GLU A 96 3.333 -2.997 -2.774 1.00 0.00 O ATOM 494 CB GLU A 96 5.105 -4.908 -4.526 1.00 0.00 C ATOM 495 CG GLU A 96 4.100 -4.104 -5.293 1.00 0.00 C ATOM 496 CD GLU A 96 4.327 -4.136 -6.791 1.00 0.00 C ATOM 497 OE1 GLU A 96 5.493 -4.282 -7.213 1.00 0.00 O ATOM 498 OE2 GLU A 96 3.337 -4.016 -7.544 1.00 0.00 O ATOM 0 H GLU A 96 5.608 -6.725 -3.003 1.00 0.00 H new ATOM 0 HA GLU A 96 5.704 -4.008 -2.666 1.00 0.00 H new ATOM 0 HB2 GLU A 96 6.109 -4.615 -4.834 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.989 -5.962 -4.779 1.00 0.00 H new ATOM 0 HG2 GLU A 96 3.101 -4.481 -5.075 1.00 0.00 H new ATOM 0 HG3 GLU A 96 4.133 -3.070 -4.949 1.00 0.00 H new ATOM 505 N TRP A 97 2.691 -5.069 -2.210 1.00 0.00 N ATOM 506 CA TRP A 97 1.346 -4.651 -1.837 1.00 0.00 C ATOM 507 C TRP A 97 1.145 -4.747 -0.326 1.00 0.00 C ATOM 508 O TRP A 97 1.242 -5.827 0.256 1.00 0.00 O ATOM 509 CB TRP A 97 0.314 -5.504 -2.570 1.00 0.00 C ATOM 510 CG TRP A 97 0.158 -5.112 -4.006 1.00 0.00 C ATOM 511 CD1 TRP A 97 0.895 -5.561 -5.064 1.00 0.00 C ATOM 512 CD2 TRP A 97 -0.785 -4.178 -4.541 1.00 0.00 C ATOM 513 NE1 TRP A 97 0.470 -4.959 -6.224 1.00 0.00 N ATOM 514 CE2 TRP A 97 -0.560 -4.105 -5.928 1.00 0.00 C ATOM 515 CE3 TRP A 97 -1.797 -3.395 -3.980 1.00 0.00 C ATOM 516 CZ2 TRP A 97 -1.310 -3.279 -6.761 1.00 0.00 C ATOM 517 CZ3 TRP A 97 -2.539 -2.576 -4.806 1.00 0.00 C ATOM 518 CH2 TRP A 97 -2.293 -2.523 -6.183 1.00 0.00 C ATOM 0 H TRP A 97 2.870 -6.067 -2.103 1.00 0.00 H new ATOM 0 HA TRP A 97 1.214 -3.609 -2.127 1.00 0.00 H new ATOM 0 HB2 TRP A 97 0.608 -6.552 -2.513 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -0.649 -5.415 -2.066 1.00 0.00 H new ATOM 0 HD1 TRP A 97 1.695 -6.284 -4.999 1.00 0.00 H new ATOM 0 HE1 TRP A 97 0.858 -5.121 -7.153 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -1.995 -3.430 -2.919 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -1.123 -3.237 -7.824 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -3.323 -1.965 -4.383 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -2.892 -1.872 -6.802 1.00 0.00 H new ATOM 529 N TRP A 98 0.878 -3.605 0.306 1.00 0.00 N ATOM 530 CA TRP A 98 0.681 -3.554 1.749 1.00 0.00 C ATOM 531 C TRP A 98 -0.793 -3.502 2.122 1.00 0.00 C ATOM 532 O TRP A 98 -1.595 -2.845 1.457 1.00 0.00 O ATOM 533 CB TRP A 98 1.386 -2.336 2.337 1.00 0.00 C ATOM 534 CG TRP A 98 2.877 -2.425 2.277 1.00 0.00 C ATOM 535 CD1 TRP A 98 3.622 -3.442 1.758 1.00 0.00 C ATOM 536 CD2 TRP A 98 3.803 -1.456 2.760 1.00 0.00 C ATOM 537 NE1 TRP A 98 4.961 -3.164 1.894 1.00 0.00 N ATOM 538 CE2 TRP A 98 5.098 -1.944 2.506 1.00 0.00 C ATOM 539 CE3 TRP A 98 3.656 -0.220 3.384 1.00 0.00 C ATOM 540 CZ2 TRP A 98 6.241 -1.231 2.856 1.00 0.00 C ATOM 541 CZ3 TRP A 98 4.787 0.490 3.733 1.00 0.00 C ATOM 542 CH2 TRP A 98 6.068 -0.016 3.467 1.00 0.00 C ATOM 0 H TRP A 98 0.794 -2.703 -0.162 1.00 0.00 H new ATOM 0 HA TRP A 98 1.107 -4.469 2.161 1.00 0.00 H new ATOM 0 HB2 TRP A 98 1.061 -1.444 1.801 1.00 0.00 H new ATOM 0 HB3 TRP A 98 1.078 -2.214 3.376 1.00 0.00 H new ATOM 0 HD1 TRP A 98 3.219 -4.336 1.306 1.00 0.00 H new ATOM 0 HE1 TRP A 98 5.727 -3.766 1.590 1.00 0.00 H new ATOM 0 HE3 TRP A 98 2.673 0.177 3.592 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 7.228 -1.621 2.654 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 4.684 1.449 4.218 1.00 0.00 H new ATOM 0 HH2 TRP A 98 6.935 0.563 3.749 1.00 0.00 H new ATOM 553 N LYS A 99 -1.134 -4.176 3.214 1.00 0.00 N ATOM 554 CA LYS A 99 -2.497 -4.190 3.715 1.00 0.00 C ATOM 555 C LYS A 99 -2.703 -3.013 4.658 1.00 0.00 C ATOM 556 O LYS A 99 -2.081 -2.947 5.716 1.00 0.00 O ATOM 557 CB LYS A 99 -2.780 -5.504 4.453 1.00 0.00 C ATOM 558 CG LYS A 99 -4.141 -5.554 5.128 1.00 0.00 C ATOM 559 CD LYS A 99 -5.192 -4.851 4.304 1.00 0.00 C ATOM 560 CE LYS A 99 -6.593 -5.284 4.700 1.00 0.00 C ATOM 561 NZ LYS A 99 -7.310 -5.951 3.579 1.00 0.00 N ATOM 0 H LYS A 99 -0.477 -4.723 3.771 1.00 0.00 H new ATOM 0 HA LYS A 99 -3.185 -4.108 2.874 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -2.707 -6.329 3.745 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -2.007 -5.660 5.205 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.433 -6.592 5.284 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -4.078 -5.090 6.112 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -5.094 -3.773 4.431 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.030 -5.064 3.247 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -6.535 -5.965 5.549 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -7.162 -4.414 5.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -8.236 -5.499 3.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -6.749 -5.864 2.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -7.446 -6.957 3.804 1.00 0.00 H new ATOM 575 N ALA A 100 -3.564 -2.080 4.273 1.00 0.00 N ATOM 576 CA ALA A 100 -3.820 -0.912 5.102 1.00 0.00 C ATOM 577 C ALA A 100 -5.279 -0.808 5.490 1.00 0.00 C ATOM 578 O ALA A 100 -6.170 -1.090 4.690 1.00 0.00 O ATOM 579 CB ALA A 100 -3.394 0.363 4.389 1.00 0.00 C ATOM 0 H ALA A 100 -4.092 -2.109 3.401 1.00 0.00 H new ATOM 0 HA ALA A 100 -3.230 -1.033 6.010 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -3.595 1.222 5.029 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -2.328 0.317 4.168 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -3.953 0.464 3.459 1.00 0.00 H new ATOM 585 N GLN A 101 -5.518 -0.361 6.714 1.00 0.00 N ATOM 586 CA GLN A 101 -6.868 -0.172 7.189 1.00 0.00 C ATOM 587 C GLN A 101 -7.135 1.313 7.275 1.00 0.00 C ATOM 588 O GLN A 101 -6.562 2.012 8.109 1.00 0.00 O ATOM 589 CB GLN A 101 -7.084 -0.830 8.551 1.00 0.00 C ATOM 590 CG GLN A 101 -8.420 -0.495 9.171 1.00 0.00 C ATOM 591 CD GLN A 101 -8.484 -0.823 10.649 1.00 0.00 C ATOM 592 OE1 GLN A 101 -8.968 -1.886 11.041 1.00 0.00 O ATOM 593 NE2 GLN A 101 -7.996 0.091 11.478 1.00 0.00 N ATOM 0 H GLN A 101 -4.792 -0.125 7.390 1.00 0.00 H new ATOM 0 HA GLN A 101 -7.561 -0.645 6.493 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -7.003 -1.911 8.441 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -6.289 -0.518 9.228 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -8.624 0.567 9.031 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -9.205 -1.042 8.648 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -7.605 0.957 11.109 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -8.012 -0.073 12.485 1.00 0.00 H new ATOM 602 N SER A 102 -8.000 1.795 6.404 1.00 0.00 N ATOM 603 CA SER A 102 -8.336 3.197 6.372 1.00 0.00 C ATOM 604 C SER A 102 -8.686 3.683 7.770 1.00 0.00 C ATOM 605 O SER A 102 -8.855 2.881 8.690 1.00 0.00 O ATOM 606 CB SER A 102 -9.491 3.407 5.408 1.00 0.00 C ATOM 607 OG SER A 102 -9.073 4.107 4.249 1.00 0.00 O ATOM 0 H SER A 102 -8.483 1.229 5.707 1.00 0.00 H new ATOM 0 HA SER A 102 -7.481 3.778 6.026 1.00 0.00 H new ATOM 0 HB2 SER A 102 -9.909 2.442 5.122 1.00 0.00 H new ATOM 0 HB3 SER A 102 -10.286 3.964 5.905 1.00 0.00 H new ATOM 0 HG SER A 102 -9.836 4.226 3.646 1.00 0.00 H new ATOM 613 N LEU A 103 -8.765 4.988 7.942 1.00 0.00 N ATOM 614 CA LEU A 103 -9.071 5.547 9.251 1.00 0.00 C ATOM 615 C LEU A 103 -10.266 6.484 9.206 1.00 0.00 C ATOM 616 O LEU A 103 -10.948 6.685 10.211 1.00 0.00 O ATOM 617 CB LEU A 103 -7.844 6.242 9.805 1.00 0.00 C ATOM 618 CG LEU A 103 -6.768 5.266 10.286 1.00 0.00 C ATOM 619 CD1 LEU A 103 -5.718 5.084 9.210 1.00 0.00 C ATOM 620 CD2 LEU A 103 -6.134 5.722 11.590 1.00 0.00 C ATOM 0 H LEU A 103 -8.624 5.677 7.203 1.00 0.00 H new ATOM 0 HA LEU A 103 -9.347 4.729 9.917 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -7.422 6.889 9.036 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -8.141 6.884 10.634 1.00 0.00 H new ATOM 0 HG LEU A 103 -7.246 4.306 10.482 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -4.956 4.388 9.560 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -6.186 4.687 8.309 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -5.256 6.046 8.986 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -5.376 5.002 11.897 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -5.671 6.698 11.447 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -6.900 5.793 12.362 1.00 0.00 H new ATOM 632 N THR A 104 -10.538 7.031 8.033 1.00 0.00 N ATOM 633 CA THR A 104 -11.671 7.913 7.857 1.00 0.00 C ATOM 634 C THR A 104 -12.919 7.073 7.638 1.00 0.00 C ATOM 635 O THR A 104 -13.994 7.354 8.168 1.00 0.00 O ATOM 636 CB THR A 104 -11.432 8.816 6.656 1.00 0.00 C ATOM 637 OG1 THR A 104 -10.068 9.193 6.570 1.00 0.00 O ATOM 638 CG2 THR A 104 -12.252 10.069 6.707 1.00 0.00 C ATOM 0 H THR A 104 -9.986 6.877 7.189 1.00 0.00 H new ATOM 0 HA THR A 104 -11.801 8.534 8.743 1.00 0.00 H new ATOM 0 HB THR A 104 -11.727 8.234 5.783 1.00 0.00 H new ATOM 0 HG1 THR A 104 -9.732 9.001 5.670 1.00 0.00 H new ATOM 0 HG21 THR A 104 -12.043 10.677 5.827 1.00 0.00 H new ATOM 0 HG22 THR A 104 -13.311 9.810 6.726 1.00 0.00 H new ATOM 0 HG23 THR A 104 -12.000 10.633 7.605 1.00 0.00 H new ATOM 646 N THR A 105 -12.732 6.029 6.851 1.00 0.00 N ATOM 647 CA THR A 105 -13.777 5.078 6.510 1.00 0.00 C ATOM 648 C THR A 105 -13.502 3.754 7.205 1.00 0.00 C ATOM 649 O THR A 105 -14.405 3.034 7.631 1.00 0.00 O ATOM 650 CB THR A 105 -13.764 4.865 5.005 1.00 0.00 C ATOM 651 OG1 THR A 105 -12.926 3.776 4.656 1.00 0.00 O ATOM 652 CG2 THR A 105 -13.282 6.073 4.232 1.00 0.00 C ATOM 0 H THR A 105 -11.832 5.813 6.422 1.00 0.00 H new ATOM 0 HA THR A 105 -14.747 5.459 6.829 1.00 0.00 H new ATOM 0 HB THR A 105 -14.802 4.669 4.737 1.00 0.00 H new ATOM 0 HG1 THR A 105 -12.966 3.629 3.688 1.00 0.00 H new ATOM 0 HG21 THR A 105 -13.298 5.852 3.165 1.00 0.00 H new ATOM 0 HG22 THR A 105 -13.936 6.921 4.437 1.00 0.00 H new ATOM 0 HG23 THR A 105 -12.264 6.318 4.537 1.00 0.00 H new ATOM 660 N GLY A 106 -12.217 3.467 7.289 1.00 0.00 N ATOM 661 CA GLY A 106 -11.716 2.267 7.896 1.00 0.00 C ATOM 662 C GLY A 106 -11.752 1.071 6.975 1.00 0.00 C ATOM 663 O GLY A 106 -11.314 -0.018 7.348 1.00 0.00 O ATOM 0 H GLY A 106 -11.485 4.079 6.928 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -10.690 2.435 8.222 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -12.302 2.047 8.788 1.00 0.00 H new ATOM 667 N GLN A 107 -12.257 1.265 5.761 1.00 0.00 N ATOM 668 CA GLN A 107 -12.323 0.200 4.794 1.00 0.00 C ATOM 669 C GLN A 107 -10.984 -0.505 4.666 1.00 0.00 C ATOM 670 O GLN A 107 -9.961 0.114 4.374 1.00 0.00 O ATOM 671 CB GLN A 107 -12.776 0.764 3.469 1.00 0.00 C ATOM 672 CG GLN A 107 -14.279 0.815 3.376 1.00 0.00 C ATOM 673 CD GLN A 107 -14.843 2.206 3.584 1.00 0.00 C ATOM 674 OE1 GLN A 107 -14.499 3.144 2.865 1.00 0.00 O ATOM 675 NE2 GLN A 107 -15.720 2.346 4.573 1.00 0.00 N ATOM 0 H GLN A 107 -12.625 2.158 5.432 1.00 0.00 H new ATOM 0 HA GLN A 107 -13.044 -0.546 5.128 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -12.368 1.767 3.341 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -12.381 0.153 2.658 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -14.589 0.447 2.398 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -14.706 0.142 4.120 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -15.977 1.541 5.145 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -16.136 3.258 4.760 1.00 0.00 H new ATOM 684 N GLU A 108 -11.003 -1.802 4.913 1.00 0.00 N ATOM 685 CA GLU A 108 -9.790 -2.607 4.855 1.00 0.00 C ATOM 686 C GLU A 108 -9.538 -3.144 3.452 1.00 0.00 C ATOM 687 O GLU A 108 -10.472 -3.470 2.719 1.00 0.00 O ATOM 688 CB GLU A 108 -9.875 -3.759 5.853 1.00 0.00 C ATOM 689 CG GLU A 108 -10.079 -3.306 7.286 1.00 0.00 C ATOM 690 CD GLU A 108 -11.248 -3.998 7.959 1.00 0.00 C ATOM 691 OE1 GLU A 108 -11.132 -5.205 8.260 1.00 0.00 O ATOM 692 OE2 GLU A 108 -12.281 -3.333 8.185 1.00 0.00 O ATOM 0 H GLU A 108 -11.845 -2.324 5.156 1.00 0.00 H new ATOM 0 HA GLU A 108 -8.951 -1.963 5.119 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -10.697 -4.416 5.568 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -8.960 -4.349 5.794 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -9.171 -3.499 7.856 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -10.242 -2.228 7.302 1.00 0.00 H new ATOM 699 N GLY A 109 -8.263 -3.232 3.088 1.00 0.00 N ATOM 700 CA GLY A 109 -7.891 -3.728 1.779 1.00 0.00 C ATOM 701 C GLY A 109 -6.407 -3.580 1.511 1.00 0.00 C ATOM 702 O GLY A 109 -5.671 -3.042 2.338 1.00 0.00 O ATOM 0 H GLY A 109 -7.477 -2.966 3.682 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -8.170 -4.779 1.698 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -8.452 -3.189 1.015 1.00 0.00 H new ATOM 706 N PHE A 110 -5.969 -4.054 0.353 1.00 0.00 N ATOM 707 CA PHE A 110 -4.573 -3.977 -0.030 1.00 0.00 C ATOM 708 C PHE A 110 -4.278 -2.641 -0.700 1.00 0.00 C ATOM 709 O PHE A 110 -5.175 -2.003 -1.245 1.00 0.00 O ATOM 710 CB PHE A 110 -4.243 -5.127 -0.974 1.00 0.00 C ATOM 711 CG PHE A 110 -3.696 -6.340 -0.277 1.00 0.00 C ATOM 712 CD1 PHE A 110 -4.288 -6.815 0.884 1.00 0.00 C ATOM 713 CD2 PHE A 110 -2.592 -7.007 -0.784 1.00 0.00 C ATOM 714 CE1 PHE A 110 -3.787 -7.931 1.526 1.00 0.00 C ATOM 715 CE2 PHE A 110 -2.087 -8.123 -0.145 1.00 0.00 C ATOM 716 CZ PHE A 110 -2.685 -8.587 1.011 1.00 0.00 C ATOM 0 H PHE A 110 -6.570 -4.499 -0.341 1.00 0.00 H new ATOM 0 HA PHE A 110 -3.952 -4.055 0.863 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -5.144 -5.407 -1.520 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -3.517 -4.784 -1.711 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -5.150 -6.307 1.291 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -2.121 -6.651 -1.688 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -4.256 -8.291 2.430 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -1.225 -8.633 -0.549 1.00 0.00 H new ATOM 0 HZ PHE A 110 -2.292 -9.460 1.511 1.00 0.00 H new ATOM 726 N ILE A 111 -3.023 -2.211 -0.651 1.00 0.00 N ATOM 727 CA ILE A 111 -2.646 -0.941 -1.252 1.00 0.00 C ATOM 728 C ILE A 111 -1.201 -0.943 -1.743 1.00 0.00 C ATOM 729 O ILE A 111 -0.314 -1.528 -1.122 1.00 0.00 O ATOM 730 CB ILE A 111 -2.827 0.222 -0.252 1.00 0.00 C ATOM 731 CG1 ILE A 111 -1.886 0.035 0.938 1.00 0.00 C ATOM 732 CG2 ILE A 111 -4.275 0.311 0.207 1.00 0.00 C ATOM 733 CD1 ILE A 111 -1.342 1.328 1.501 1.00 0.00 C ATOM 0 H ILE A 111 -2.258 -2.718 -0.206 1.00 0.00 H new ATOM 0 HA ILE A 111 -3.307 -0.801 -2.108 1.00 0.00 H new ATOM 0 HB ILE A 111 -2.576 1.159 -0.748 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -2.416 -0.498 1.727 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -1.051 -0.596 0.632 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -4.383 1.136 0.911 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -4.920 0.482 -0.655 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -4.560 -0.621 0.694 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -0.683 1.110 2.342 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -0.782 1.854 0.728 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -2.168 1.953 1.840 1.00 0.00 H new ATOM 745 N PRO A 112 -0.954 -0.259 -2.866 1.00 0.00 N ATOM 746 CA PRO A 112 0.374 -0.141 -3.453 1.00 0.00 C ATOM 747 C PRO A 112 1.390 0.362 -2.428 1.00 0.00 C ATOM 748 O PRO A 112 1.325 1.509 -1.988 1.00 0.00 O ATOM 749 CB PRO A 112 0.193 0.883 -4.587 1.00 0.00 C ATOM 750 CG PRO A 112 -1.174 1.459 -4.410 1.00 0.00 C ATOM 751 CD PRO A 112 -1.964 0.460 -3.631 1.00 0.00 C ATOM 0 HA PRO A 112 0.756 -1.099 -3.806 1.00 0.00 H new ATOM 0 HB2 PRO A 112 0.954 1.662 -4.534 1.00 0.00 H new ATOM 0 HB3 PRO A 112 0.292 0.406 -5.562 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -1.127 2.412 -3.882 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -1.640 1.653 -5.376 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -2.690 0.945 -2.979 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -2.521 -0.209 -4.287 1.00 0.00 H new ATOM 759 N PHE A 113 2.317 -0.508 -2.034 1.00 0.00 N ATOM 760 CA PHE A 113 3.330 -0.153 -1.042 1.00 0.00 C ATOM 761 C PHE A 113 4.081 1.126 -1.421 1.00 0.00 C ATOM 762 O PHE A 113 4.644 1.799 -0.557 1.00 0.00 O ATOM 763 CB PHE A 113 4.313 -1.315 -0.841 1.00 0.00 C ATOM 764 CG PHE A 113 5.431 -1.360 -1.850 1.00 0.00 C ATOM 765 CD1 PHE A 113 5.180 -1.146 -3.197 1.00 0.00 C ATOM 766 CD2 PHE A 113 6.732 -1.617 -1.447 1.00 0.00 C ATOM 767 CE1 PHE A 113 6.207 -1.186 -4.121 1.00 0.00 C ATOM 768 CE2 PHE A 113 7.762 -1.657 -2.367 1.00 0.00 C ATOM 769 CZ PHE A 113 7.499 -1.442 -3.707 1.00 0.00 C ATOM 0 H PHE A 113 2.388 -1.463 -2.386 1.00 0.00 H new ATOM 0 HA PHE A 113 2.813 0.041 -0.102 1.00 0.00 H new ATOM 0 HB2 PHE A 113 4.743 -1.244 0.158 1.00 0.00 H new ATOM 0 HB3 PHE A 113 3.762 -2.254 -0.884 1.00 0.00 H new ATOM 0 HD1 PHE A 113 4.171 -0.946 -3.527 1.00 0.00 H new ATOM 0 HD2 PHE A 113 6.943 -1.788 -0.402 1.00 0.00 H new ATOM 0 HE1 PHE A 113 5.999 -1.017 -5.167 1.00 0.00 H new ATOM 0 HE2 PHE A 113 8.772 -1.856 -2.040 1.00 0.00 H new ATOM 0 HZ PHE A 113 8.302 -1.474 -4.428 1.00 0.00 H new ATOM 779 N ASN A 114 4.088 1.457 -2.708 1.00 0.00 N ATOM 780 CA ASN A 114 4.774 2.654 -3.181 1.00 0.00 C ATOM 781 C ASN A 114 3.783 3.787 -3.428 1.00 0.00 C ATOM 782 O ASN A 114 3.988 4.623 -4.307 1.00 0.00 O ATOM 783 CB ASN A 114 5.545 2.347 -4.466 1.00 0.00 C ATOM 784 CG ASN A 114 4.701 1.604 -5.484 1.00 0.00 C ATOM 785 OD1 ASN A 114 4.171 0.530 -5.204 1.00 0.00 O ATOM 786 ND2 ASN A 114 4.574 2.176 -6.676 1.00 0.00 N ATOM 0 H ASN A 114 3.628 0.915 -3.440 1.00 0.00 H new ATOM 0 HA ASN A 114 5.475 2.971 -2.409 1.00 0.00 H new ATOM 0 HB2 ASN A 114 5.901 3.279 -4.904 1.00 0.00 H new ATOM 0 HB3 ASN A 114 6.426 1.752 -4.225 1.00 0.00 H new ATOM 0 HD21 ASN A 114 4.019 1.723 -7.402 1.00 0.00 H new ATOM 0 HD22 ASN A 114 5.031 3.068 -6.865 1.00 0.00 H new ATOM 793 N PHE A 115 2.705 3.803 -2.652 1.00 0.00 N ATOM 794 CA PHE A 115 1.677 4.827 -2.793 1.00 0.00 C ATOM 795 C PHE A 115 1.510 5.648 -1.518 1.00 0.00 C ATOM 796 O PHE A 115 0.940 6.738 -1.548 1.00 0.00 O ATOM 797 CB PHE A 115 0.337 4.178 -3.136 1.00 0.00 C ATOM 798 CG PHE A 115 -0.285 4.703 -4.394 1.00 0.00 C ATOM 799 CD1 PHE A 115 0.462 4.852 -5.549 1.00 0.00 C ATOM 800 CD2 PHE A 115 -1.623 5.044 -4.416 1.00 0.00 C ATOM 801 CE1 PHE A 115 -0.119 5.335 -6.706 1.00 0.00 C ATOM 802 CE2 PHE A 115 -2.210 5.527 -5.565 1.00 0.00 C ATOM 803 CZ PHE A 115 -1.458 5.674 -6.714 1.00 0.00 C ATOM 0 H PHE A 115 2.520 3.118 -1.919 1.00 0.00 H new ATOM 0 HA PHE A 115 1.995 5.494 -3.594 1.00 0.00 H new ATOM 0 HB2 PHE A 115 0.480 3.102 -3.234 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -0.354 4.334 -2.308 1.00 0.00 H new ATOM 0 HD1 PHE A 115 1.509 4.588 -5.546 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -2.217 4.931 -3.521 1.00 0.00 H new ATOM 0 HE1 PHE A 115 0.473 5.447 -7.602 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -3.257 5.790 -5.567 1.00 0.00 H new ATOM 0 HZ PHE A 115 -1.915 6.053 -7.616 1.00 0.00 H new ATOM 813 N VAL A 116 1.967 5.110 -0.392 1.00 0.00 N ATOM 814 CA VAL A 116 1.812 5.800 0.881 1.00 0.00 C ATOM 815 C VAL A 116 3.138 6.116 1.561 1.00 0.00 C ATOM 816 O VAL A 116 4.124 5.393 1.415 1.00 0.00 O ATOM 817 CB VAL A 116 0.948 4.976 1.851 1.00 0.00 C ATOM 818 CG1 VAL A 116 -0.493 4.942 1.377 1.00 0.00 C ATOM 819 CG2 VAL A 116 1.502 3.564 2.007 1.00 0.00 C ATOM 0 H VAL A 116 2.442 4.209 -0.335 1.00 0.00 H new ATOM 0 HA VAL A 116 1.323 6.744 0.642 1.00 0.00 H new ATOM 0 HB VAL A 116 0.977 5.456 2.829 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -1.091 4.355 2.074 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -0.884 5.958 1.329 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -0.540 4.488 0.387 1.00 0.00 H new ATOM 0 HG21 VAL A 116 0.874 3.001 2.698 1.00 0.00 H new ATOM 0 HG22 VAL A 116 1.510 3.067 1.037 1.00 0.00 H new ATOM 0 HG23 VAL A 116 2.518 3.613 2.398 1.00 0.00 H new ATOM 829 N ALA A 117 3.126 7.202 2.329 1.00 0.00 N ATOM 830 CA ALA A 117 4.289 7.647 3.079 1.00 0.00 C ATOM 831 C ALA A 117 3.856 8.067 4.479 1.00 0.00 C ATOM 832 O ALA A 117 2.789 8.654 4.648 1.00 0.00 O ATOM 833 CB ALA A 117 4.981 8.798 2.363 1.00 0.00 C ATOM 0 H ALA A 117 2.306 7.797 2.447 1.00 0.00 H new ATOM 0 HA ALA A 117 5.001 6.826 3.156 1.00 0.00 H new ATOM 0 HB1 ALA A 117 5.849 9.117 2.940 1.00 0.00 H new ATOM 0 HB2 ALA A 117 5.303 8.471 1.375 1.00 0.00 H new ATOM 0 HB3 ALA A 117 4.287 9.632 2.261 1.00 0.00 H new ATOM 839 N LYS A 118 4.671 7.752 5.480 1.00 0.00 N ATOM 840 CA LYS A 118 4.351 8.083 6.870 1.00 0.00 C ATOM 841 C LYS A 118 3.712 9.463 6.994 1.00 0.00 C ATOM 842 O LYS A 118 4.113 10.407 6.313 1.00 0.00 O ATOM 843 CB LYS A 118 5.617 8.019 7.733 1.00 0.00 C ATOM 844 CG LYS A 118 5.653 6.831 8.685 1.00 0.00 C ATOM 845 CD LYS A 118 5.106 5.575 8.029 1.00 0.00 C ATOM 846 CE LYS A 118 5.701 4.317 8.640 1.00 0.00 C ATOM 847 NZ LYS A 118 7.150 4.178 8.324 1.00 0.00 N ATOM 0 H LYS A 118 5.560 7.267 5.358 1.00 0.00 H new ATOM 0 HA LYS A 118 3.628 7.347 7.223 1.00 0.00 H new ATOM 0 HB2 LYS A 118 6.489 7.976 7.080 1.00 0.00 H new ATOM 0 HB3 LYS A 118 5.698 8.939 8.312 1.00 0.00 H new ATOM 0 HG2 LYS A 118 6.678 6.656 9.011 1.00 0.00 H new ATOM 0 HG3 LYS A 118 5.070 7.060 9.577 1.00 0.00 H new ATOM 0 HD2 LYS A 118 4.021 5.553 8.134 1.00 0.00 H new ATOM 0 HD3 LYS A 118 5.323 5.598 6.961 1.00 0.00 H new ATOM 0 HE2 LYS A 118 5.566 4.340 9.721 1.00 0.00 H new ATOM 0 HE3 LYS A 118 5.163 3.444 8.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 7.428 3.179 8.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 7.328 4.513 7.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 7.707 4.745 8.995 1.00 0.00 H new ATOM 861 N ALA A 119 2.714 9.570 7.871 1.00 0.00 N ATOM 862 CA ALA A 119 2.016 10.838 8.093 1.00 0.00 C ATOM 863 C ALA A 119 2.919 11.845 8.801 1.00 0.00 C ATOM 864 O ALA A 119 2.534 12.438 9.810 1.00 0.00 O ATOM 865 CB ALA A 119 0.739 10.625 8.903 1.00 0.00 C ATOM 0 H ALA A 119 2.370 8.796 8.439 1.00 0.00 H new ATOM 0 HA ALA A 119 1.747 11.239 7.116 1.00 0.00 H new ATOM 0 HB1 ALA A 119 0.240 11.582 9.054 1.00 0.00 H new ATOM 0 HB2 ALA A 119 0.074 9.950 8.364 1.00 0.00 H new ATOM 0 HB3 ALA A 119 0.990 10.190 9.871 1.00 0.00 H new ATOM 871 N ASN A 120 4.121 12.036 8.269 1.00 0.00 N ATOM 872 CA ASN A 120 5.076 12.971 8.852 1.00 0.00 C ATOM 873 C ASN A 120 5.077 14.293 8.091 1.00 0.00 C ATOM 874 O ASN A 120 5.136 15.353 8.749 1.00 0.00 O ATOM 875 CB ASN A 120 6.482 12.366 8.848 1.00 0.00 C ATOM 876 CG ASN A 120 6.806 11.652 10.146 1.00 0.00 C ATOM 877 OD1 ASN A 120 6.355 10.532 10.382 1.00 0.00 O ATOM 878 ND2 ASN A 120 7.593 12.301 10.998 1.00 0.00 N ATOM 879 OXT ASN A 120 5.020 14.257 6.843 1.00 0.00 O ATOM 0 H ASN A 120 4.457 11.555 7.435 1.00 0.00 H new ATOM 0 HA ASN A 120 4.774 13.165 9.881 1.00 0.00 H new ATOM 0 HB2 ASN A 120 6.571 11.665 8.018 1.00 0.00 H new ATOM 0 HB3 ASN A 120 7.214 13.155 8.678 1.00 0.00 H new ATOM 0 HD21 ASN A 120 7.845 11.871 11.888 1.00 0.00 H new ATOM 0 HD22 ASN A 120 7.945 13.229 10.762 1.00 0.00 H new