USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 731 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 4 ASN : amide:sc= -9.82! C(o=-9.5!,f=-14!) USER MOD Set 1.2: A 21 TYR OH : rot -140:sc= 0.285 USER MOD Single : A 1 SER N :NH3+ 152:sc= 0.184 (180deg=0.00476) USER MOD Single : A 1 SER OG : rot 180:sc= 0.125 USER MOD Single : A 3 LYS NZ :NH3+ 178:sc= -0.224 (180deg=-0.267) USER MOD Single : A 8 TYR OH : rot 31:sc= 0.00578 USER MOD Single : A 14 ASN : amide:sc= -2.34! K(o=-2.3!,f=-0.75) USER MOD Single : A 15 HIS : no HD1:sc= -0.0979 X(o=-0.098,f=-0.097) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 25 THR OG1 : rot 11:sc= -3.3! USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 5:sc= 0.467 USER MOD Single : A 28 LYS NZ :NH3+ -155:sc= -0.0938 (180deg=-0.469) USER MOD Single : A 30 TYR OH : rot 180:sc= -0.412 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 98 CYS SG : rot -61:sc= 0.637 USER MOD Single : A 99 GLN : amide:sc= -0.113 K(o=-0.11,f=-0.63) USER MOD Single : A 107 LYS NZ :NH3+ -164:sc= 0.169 (180deg=-0.0364) USER MOD Single : A 108 ASN : amide:sc= -0.0116 X(o=-0.012,f=0) USER MOD Single : A 109 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 115 SER OG : rot 23:sc= 1.19 USER MOD Single : A 117 SER OG : rot 23:sc= 0.256 USER MOD Single : A 118 MET CE :methyl -174:sc= -1.96 (180deg=-2.04) USER MOD Single : A 120 SER OG : rot 73:sc= 1.14 USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 125 SER OG : rot 38:sc= 0.618 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 133 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 137 GLN : amide:sc= -0.575 X(o=-0.58,f=-0.084) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ 155:sc= 0.821 (180deg=0.432) USER MOD Single : A 148 GLN : amide:sc= -0.0478 X(o=-0.048,f=0) USER MOD Single : A 149 THR OG1 : rot -40:sc= 0.746 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -3.854 14.056 -4.381 1.00 0.00 N ATOM 2 CA SER A 1 -3.672 12.591 -4.206 1.00 0.00 C ATOM 3 C SER A 1 -2.268 12.157 -4.621 1.00 0.00 C ATOM 4 O SER A 1 -2.056 11.695 -5.741 1.00 0.00 O ATOM 5 CB SER A 1 -4.719 11.867 -5.053 1.00 0.00 C ATOM 6 OG SER A 1 -5.978 12.513 -4.970 1.00 0.00 O ATOM 0 H1 SER A 1 -4.857 14.262 -4.560 1.00 0.00 H new ATOM 0 H2 SER A 1 -3.548 14.549 -3.518 1.00 0.00 H new ATOM 0 H3 SER A 1 -3.284 14.383 -5.187 1.00 0.00 H new ATOM 0 HA SER A 1 -3.797 12.337 -3.153 1.00 0.00 H new ATOM 0 HB2 SER A 1 -4.391 11.834 -6.092 1.00 0.00 H new ATOM 0 HB3 SER A 1 -4.813 10.835 -4.716 1.00 0.00 H new ATOM 0 HG SER A 1 -6.630 12.032 -5.522 1.00 0.00 H new ATOM 14 N ILE A 2 -1.315 12.311 -3.708 1.00 0.00 N ATOM 15 CA ILE A 2 0.069 11.935 -3.978 1.00 0.00 C ATOM 16 C ILE A 2 0.297 10.451 -3.720 1.00 0.00 C ATOM 17 O ILE A 2 1.091 9.807 -4.406 1.00 0.00 O ATOM 18 CB ILE A 2 1.049 12.750 -3.113 1.00 0.00 C ATOM 19 CG1 ILE A 2 0.748 14.245 -3.235 1.00 0.00 C ATOM 20 CG2 ILE A 2 2.487 12.459 -3.519 1.00 0.00 C ATOM 21 CD1 ILE A 2 1.641 15.110 -2.374 1.00 0.00 C ATOM 0 H ILE A 2 -1.475 12.693 -2.776 1.00 0.00 H new ATOM 0 HA ILE A 2 0.256 12.150 -5.030 1.00 0.00 H new ATOM 0 HB ILE A 2 0.921 12.455 -2.071 1.00 0.00 H new ATOM 0 HG12 ILE A 2 0.858 14.546 -4.277 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -0.292 14.422 -2.960 1.00 0.00 H new ATOM 0 HG21 ILE A 2 3.166 13.043 -2.898 1.00 0.00 H new ATOM 0 HG22 ILE A 2 2.695 11.397 -3.385 1.00 0.00 H new ATOM 0 HG23 ILE A 2 2.631 12.728 -4.566 1.00 0.00 H new ATOM 0 HD11 ILE A 2 1.373 16.158 -2.509 1.00 0.00 H new ATOM 0 HD12 ILE A 2 1.514 14.835 -1.327 1.00 0.00 H new ATOM 0 HD13 ILE A 2 2.681 14.961 -2.664 1.00 0.00 H new ATOM 33 N LYS A 3 -0.403 9.913 -2.727 1.00 0.00 N ATOM 34 CA LYS A 3 -0.270 8.502 -2.382 1.00 0.00 C ATOM 35 C LYS A 3 -1.637 7.858 -2.176 1.00 0.00 C ATOM 36 O LYS A 3 -2.535 8.457 -1.584 1.00 0.00 O ATOM 37 CB LYS A 3 0.582 8.342 -1.120 1.00 0.00 C ATOM 38 CG LYS A 3 1.974 7.796 -1.394 1.00 0.00 C ATOM 39 CD LYS A 3 2.010 6.281 -1.280 1.00 0.00 C ATOM 40 CE LYS A 3 3.362 5.791 -0.787 1.00 0.00 C ATOM 41 NZ LYS A 3 3.548 4.334 -1.034 1.00 0.00 N ATOM 0 H LYS A 3 -1.066 10.430 -2.149 1.00 0.00 H new ATOM 0 HA LYS A 3 0.225 7.996 -3.211 1.00 0.00 H new ATOM 0 HB2 LYS A 3 0.671 9.309 -0.626 1.00 0.00 H new ATOM 0 HB3 LYS A 3 0.069 7.676 -0.427 1.00 0.00 H new ATOM 0 HG2 LYS A 3 2.293 8.095 -2.393 1.00 0.00 H new ATOM 0 HG3 LYS A 3 2.682 8.232 -0.689 1.00 0.00 H new ATOM 0 HD2 LYS A 3 1.230 5.948 -0.596 1.00 0.00 H new ATOM 0 HD3 LYS A 3 1.793 5.837 -2.251 1.00 0.00 H new ATOM 0 HE2 LYS A 3 4.154 6.348 -1.287 1.00 0.00 H new ATOM 0 HE3 LYS A 3 3.454 5.993 0.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 4.495 4.046 -0.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 2.828 3.798 -0.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 3.452 4.139 -2.051 1.00 0.00 H new ATOM 55 N ASN A 4 -1.786 6.632 -2.669 1.00 0.00 N ATOM 56 CA ASN A 4 -3.043 5.904 -2.541 1.00 0.00 C ATOM 57 C ASN A 4 -2.794 4.401 -2.474 1.00 0.00 C ATOM 58 O ASN A 4 -2.146 3.828 -3.350 1.00 0.00 O ATOM 59 CB ASN A 4 -3.966 6.229 -3.718 1.00 0.00 C ATOM 60 CG ASN A 4 -4.972 7.311 -3.383 1.00 0.00 C ATOM 61 OD1 ASN A 4 -5.892 7.097 -2.594 1.00 0.00 O ATOM 62 ND2 ASN A 4 -4.802 8.483 -3.982 1.00 0.00 N ATOM 0 H ASN A 4 -1.052 6.122 -3.161 1.00 0.00 H new ATOM 0 HA ASN A 4 -3.524 6.216 -1.614 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -3.365 6.547 -4.570 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -4.496 5.326 -4.021 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -5.448 9.250 -3.795 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -4.025 8.617 -4.629 1.00 0.00 H new ATOM 69 N GLY A 5 -3.314 3.766 -1.427 1.00 0.00 N ATOM 70 CA GLY A 5 -3.136 2.335 -1.265 1.00 0.00 C ATOM 71 C GLY A 5 -3.997 1.766 -0.155 1.00 0.00 C ATOM 72 O GLY A 5 -4.723 2.501 0.515 1.00 0.00 O ATOM 0 H GLY A 5 -3.855 4.217 -0.689 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -3.378 1.833 -2.202 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -2.088 2.124 -1.052 1.00 0.00 H new ATOM 76 N ILE A 6 -3.916 0.454 0.042 1.00 0.00 N ATOM 77 CA ILE A 6 -4.693 -0.213 1.078 1.00 0.00 C ATOM 78 C ILE A 6 -3.887 -0.347 2.366 1.00 0.00 C ATOM 79 O ILE A 6 -3.187 -1.338 2.573 1.00 0.00 O ATOM 80 CB ILE A 6 -5.150 -1.613 0.627 1.00 0.00 C ATOM 81 CG1 ILE A 6 -5.769 -1.548 -0.771 1.00 0.00 C ATOM 82 CG2 ILE A 6 -6.142 -2.194 1.624 1.00 0.00 C ATOM 83 CD1 ILE A 6 -7.038 -0.726 -0.832 1.00 0.00 C ATOM 0 H ILE A 6 -3.319 -0.168 -0.503 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.571 0.406 1.261 1.00 0.00 H new ATOM 0 HB ILE A 6 -4.279 -2.266 0.587 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.040 -1.128 -1.463 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -5.985 -2.561 -1.112 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.455 -3.183 1.291 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -5.670 -2.273 2.603 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -7.013 -1.542 1.693 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -7.421 -0.724 -1.852 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -7.784 -1.158 -0.165 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -6.824 0.297 -0.522 1.00 0.00 H new ATOM 95 N LEU A 7 -3.992 0.657 3.230 1.00 0.00 N ATOM 96 CA LEU A 7 -3.274 0.651 4.500 1.00 0.00 C ATOM 97 C LEU A 7 -4.130 0.044 5.607 1.00 0.00 C ATOM 98 O LEU A 7 -5.333 0.293 5.683 1.00 0.00 O ATOM 99 CB LEU A 7 -2.855 2.074 4.881 1.00 0.00 C ATOM 100 CG LEU A 7 -1.423 2.450 4.500 1.00 0.00 C ATOM 101 CD1 LEU A 7 -0.429 1.524 5.187 1.00 0.00 C ATOM 102 CD2 LEU A 7 -1.243 2.404 2.990 1.00 0.00 C ATOM 0 H LEU A 7 -4.567 1.485 3.074 1.00 0.00 H new ATOM 0 HA LEU A 7 -2.381 0.038 4.381 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.538 2.777 4.405 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.972 2.195 5.958 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.232 3.469 4.836 1.00 0.00 H new ATOM 0 HD11 LEU A 7 0.586 1.806 4.905 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.541 1.607 6.268 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.618 0.495 4.881 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.218 2.675 2.737 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.452 1.397 2.629 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -1.930 3.108 2.520 1.00 0.00 H new ATOM 114 N TYR A 8 -3.501 -0.754 6.464 1.00 0.00 N ATOM 115 CA TYR A 8 -4.205 -1.396 7.567 1.00 0.00 C ATOM 116 C TYR A 8 -4.402 -0.426 8.727 1.00 0.00 C ATOM 117 O TYR A 8 -3.764 0.626 8.785 1.00 0.00 O ATOM 118 CB TYR A 8 -3.433 -2.629 8.044 1.00 0.00 C ATOM 119 CG TYR A 8 -3.593 -3.831 7.141 1.00 0.00 C ATOM 120 CD1 TYR A 8 -3.366 -3.731 5.773 1.00 0.00 C ATOM 121 CD2 TYR A 8 -3.969 -5.065 7.655 1.00 0.00 C ATOM 122 CE1 TYR A 8 -3.512 -4.828 4.945 1.00 0.00 C ATOM 123 CE2 TYR A 8 -4.116 -6.167 6.833 1.00 0.00 C ATOM 124 CZ TYR A 8 -3.886 -6.043 5.479 1.00 0.00 C ATOM 125 OH TYR A 8 -4.031 -7.136 4.658 1.00 0.00 O ATOM 0 H TYR A 8 -2.506 -0.971 6.415 1.00 0.00 H new ATOM 0 HA TYR A 8 -5.186 -1.706 7.206 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -2.375 -2.379 8.117 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -3.769 -2.892 9.047 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -3.071 -2.782 5.351 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -4.150 -5.166 8.715 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -3.334 -4.734 3.884 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -4.409 -7.120 7.249 1.00 0.00 H new ATOM 0 HH TYR A 8 -3.414 -7.060 3.900 1.00 0.00 H new ATOM 135 N LEU A 9 -5.288 -0.785 9.649 1.00 0.00 N ATOM 136 CA LEU A 9 -5.569 0.055 10.808 1.00 0.00 C ATOM 137 C LEU A 9 -6.466 -0.673 11.804 1.00 0.00 C ATOM 138 O LEU A 9 -7.460 -1.290 11.423 1.00 0.00 O ATOM 139 CB LEU A 9 -6.232 1.362 10.367 1.00 0.00 C ATOM 140 CG LEU A 9 -6.503 2.362 11.492 1.00 0.00 C ATOM 141 CD1 LEU A 9 -6.276 3.786 11.009 1.00 0.00 C ATOM 142 CD2 LEU A 9 -7.920 2.197 12.021 1.00 0.00 C ATOM 0 H LEU A 9 -5.824 -1.652 9.617 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.623 0.282 11.299 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -5.597 1.840 9.621 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -7.176 1.125 9.877 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.806 2.161 12.305 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.474 4.482 11.824 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -5.243 3.898 10.679 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.948 4.000 10.178 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.096 2.916 12.821 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -8.632 2.370 11.214 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.049 1.186 12.407 1.00 0.00 H new ATOM 154 N GLU A 10 -6.106 -0.598 13.082 1.00 0.00 N ATOM 155 CA GLU A 10 -6.879 -1.249 14.133 1.00 0.00 C ATOM 156 C GLU A 10 -8.265 -0.625 14.257 1.00 0.00 C ATOM 157 O GLU A 10 -8.460 0.329 15.009 1.00 0.00 O ATOM 158 CB GLU A 10 -6.144 -1.156 15.470 1.00 0.00 C ATOM 159 CG GLU A 10 -4.758 -1.778 15.449 1.00 0.00 C ATOM 160 CD GLU A 10 -4.325 -2.284 16.811 1.00 0.00 C ATOM 161 OE1 GLU A 10 -4.124 -1.447 17.717 1.00 0.00 O ATOM 162 OE2 GLU A 10 -4.184 -3.514 16.970 1.00 0.00 O ATOM 0 H GLU A 10 -5.284 -0.093 13.414 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.996 -2.299 13.864 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -6.058 -0.107 15.755 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.741 -1.647 16.238 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.745 -2.604 14.738 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.038 -1.040 15.094 1.00 0.00 H new ATOM 169 N ASP A 11 -9.224 -1.172 13.519 1.00 0.00 N ATOM 170 CA ASP A 11 -10.592 -0.667 13.551 1.00 0.00 C ATOM 171 C ASP A 11 -11.193 -0.825 14.947 1.00 0.00 C ATOM 172 O ASP A 11 -11.003 -1.853 15.597 1.00 0.00 O ATOM 173 CB ASP A 11 -11.453 -1.402 12.521 1.00 0.00 C ATOM 174 CG ASP A 11 -12.269 -0.452 11.667 1.00 0.00 C ATOM 175 OD1 ASP A 11 -11.748 0.627 11.315 1.00 0.00 O ATOM 176 OD2 ASP A 11 -13.430 -0.787 11.348 1.00 0.00 O ATOM 0 H ASP A 11 -9.080 -1.964 12.892 1.00 0.00 H new ATOM 0 HA ASP A 11 -10.571 0.394 13.302 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -10.811 -2.004 11.878 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -12.123 -2.090 13.036 1.00 0.00 H new ATOM 181 N PRO A 12 -11.929 0.192 15.428 1.00 0.00 N ATOM 182 CA PRO A 12 -12.553 0.153 16.754 1.00 0.00 C ATOM 183 C PRO A 12 -13.748 -0.795 16.811 1.00 0.00 C ATOM 184 O PRO A 12 -14.285 -1.065 17.886 1.00 0.00 O ATOM 185 CB PRO A 12 -13.005 1.596 16.974 1.00 0.00 C ATOM 186 CG PRO A 12 -13.225 2.134 15.603 1.00 0.00 C ATOM 187 CD PRO A 12 -12.208 1.459 14.724 1.00 0.00 C ATOM 0 HA PRO A 12 -11.865 -0.215 17.515 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -13.918 1.639 17.568 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -12.249 2.171 17.509 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -14.238 1.924 15.260 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -13.100 3.217 15.584 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -12.598 1.283 13.721 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -11.308 2.064 14.615 1.00 0.00 H new ATOM 195 N VAL A 13 -14.163 -1.300 15.652 1.00 0.00 N ATOM 196 CA VAL A 13 -15.293 -2.217 15.582 1.00 0.00 C ATOM 197 C VAL A 13 -14.960 -3.545 16.248 1.00 0.00 C ATOM 198 O VAL A 13 -15.776 -4.112 16.974 1.00 0.00 O ATOM 199 CB VAL A 13 -15.719 -2.477 14.125 1.00 0.00 C ATOM 200 CG1 VAL A 13 -17.017 -3.268 14.081 1.00 0.00 C ATOM 201 CG2 VAL A 13 -15.860 -1.164 13.368 1.00 0.00 C ATOM 0 H VAL A 13 -13.733 -1.089 14.751 1.00 0.00 H new ATOM 0 HA VAL A 13 -16.119 -1.743 16.112 1.00 0.00 H new ATOM 0 HB VAL A 13 -14.944 -3.069 13.639 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -17.302 -3.442 13.043 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -16.877 -4.225 14.584 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -17.803 -2.705 14.584 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -16.162 -1.367 12.340 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -16.615 -0.544 13.852 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -14.905 -0.639 13.369 1.00 0.00 H new ATOM 211 N ASN A 14 -13.754 -4.036 15.994 1.00 0.00 N ATOM 212 CA ASN A 14 -13.304 -5.299 16.568 1.00 0.00 C ATOM 213 C ASN A 14 -11.906 -5.173 17.178 1.00 0.00 C ATOM 214 O ASN A 14 -11.333 -6.161 17.638 1.00 0.00 O ATOM 215 CB ASN A 14 -13.307 -6.395 15.500 1.00 0.00 C ATOM 216 CG ASN A 14 -14.709 -6.811 15.102 1.00 0.00 C ATOM 217 OD1 ASN A 14 -15.169 -7.898 15.451 1.00 0.00 O ATOM 218 ND2 ASN A 14 -15.398 -5.945 14.369 1.00 0.00 N ATOM 0 H ASN A 14 -13.068 -3.579 15.393 1.00 0.00 H new ATOM 0 HA ASN A 14 -13.998 -5.566 17.365 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -12.772 -6.041 14.619 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -12.766 -7.264 15.874 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -16.348 -6.170 14.073 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -14.978 -5.055 14.102 1.00 0.00 H new ATOM 225 N HIS A 15 -11.363 -3.956 17.184 1.00 0.00 N ATOM 226 CA HIS A 15 -10.035 -3.712 17.742 1.00 0.00 C ATOM 227 C HIS A 15 -9.000 -4.660 17.137 1.00 0.00 C ATOM 228 O HIS A 15 -8.355 -5.430 17.849 1.00 0.00 O ATOM 229 CB HIS A 15 -10.064 -3.871 19.264 1.00 0.00 C ATOM 230 CG HIS A 15 -8.819 -3.384 19.939 1.00 0.00 C ATOM 231 ND1 HIS A 15 -8.209 -4.063 20.973 1.00 0.00 N ATOM 232 CD2 HIS A 15 -8.068 -2.278 19.723 1.00 0.00 C ATOM 233 CE1 HIS A 15 -7.138 -3.395 21.364 1.00 0.00 C ATOM 234 NE2 HIS A 15 -7.030 -2.309 20.621 1.00 0.00 N ATOM 0 H HIS A 15 -11.822 -3.126 16.809 1.00 0.00 H new ATOM 0 HA HIS A 15 -9.748 -2.690 17.494 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -10.920 -3.327 19.662 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -10.213 -4.923 19.509 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -8.251 -1.514 18.982 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -6.465 -3.688 22.157 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -6.295 -1.607 20.701 1.00 0.00 H new ATOM 243 N GLU A 16 -8.846 -4.596 15.817 1.00 0.00 N ATOM 244 CA GLU A 16 -7.890 -5.448 15.118 1.00 0.00 C ATOM 245 C GLU A 16 -7.521 -4.853 13.762 1.00 0.00 C ATOM 246 O GLU A 16 -8.252 -4.025 13.218 1.00 0.00 O ATOM 247 CB GLU A 16 -8.465 -6.854 14.935 1.00 0.00 C ATOM 248 CG GLU A 16 -9.711 -6.891 14.063 1.00 0.00 C ATOM 249 CD GLU A 16 -9.716 -8.066 13.105 1.00 0.00 C ATOM 250 OE1 GLU A 16 -8.951 -8.031 12.118 1.00 0.00 O ATOM 251 OE2 GLU A 16 -10.484 -9.022 13.342 1.00 0.00 O ATOM 0 H GLU A 16 -9.370 -3.964 15.212 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.986 -5.511 15.724 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.702 -7.495 14.493 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.703 -7.271 15.914 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.594 -6.942 14.700 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.780 -5.963 13.495 1.00 0.00 H new ATOM 258 N TRP A 17 -6.384 -5.281 13.222 1.00 0.00 N ATOM 259 CA TRP A 17 -5.919 -4.789 11.929 1.00 0.00 C ATOM 260 C TRP A 17 -6.959 -5.046 10.842 1.00 0.00 C ATOM 261 O TRP A 17 -7.456 -6.162 10.696 1.00 0.00 O ATOM 262 CB TRP A 17 -4.596 -5.459 11.549 1.00 0.00 C ATOM 263 CG TRP A 17 -3.584 -5.455 12.655 1.00 0.00 C ATOM 264 CD1 TRP A 17 -3.087 -6.542 13.314 1.00 0.00 C ATOM 265 CD2 TRP A 17 -2.944 -4.310 13.229 1.00 0.00 C ATOM 266 NE1 TRP A 17 -2.176 -6.143 14.263 1.00 0.00 N ATOM 267 CE2 TRP A 17 -2.071 -4.777 14.229 1.00 0.00 C ATOM 268 CE3 TRP A 17 -3.023 -2.934 12.993 1.00 0.00 C ATOM 269 CZ2 TRP A 17 -1.284 -3.919 14.992 1.00 0.00 C ATOM 270 CZ3 TRP A 17 -2.242 -2.083 13.752 1.00 0.00 C ATOM 271 CH2 TRP A 17 -1.383 -2.577 14.741 1.00 0.00 C ATOM 0 H TRP A 17 -5.768 -5.967 13.659 1.00 0.00 H new ATOM 0 HA TRP A 17 -5.764 -3.713 12.014 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -4.792 -6.489 11.250 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -4.176 -4.950 10.681 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -3.368 -7.566 13.118 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -1.662 -6.762 14.890 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -3.682 -2.543 12.232 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -0.620 -4.298 15.754 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -2.295 -1.018 13.579 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -0.787 -1.885 15.317 1.00 0.00 H new ATOM 282 N TYR A 18 -7.280 -4.005 10.080 1.00 0.00 N ATOM 283 CA TYR A 18 -8.259 -4.119 9.006 1.00 0.00 C ATOM 284 C TYR A 18 -7.753 -3.437 7.734 1.00 0.00 C ATOM 285 O TYR A 18 -7.403 -2.258 7.753 1.00 0.00 O ATOM 286 CB TYR A 18 -9.590 -3.498 9.435 1.00 0.00 C ATOM 287 CG TYR A 18 -10.585 -4.508 9.961 1.00 0.00 C ATOM 288 CD1 TYR A 18 -11.245 -5.376 9.101 1.00 0.00 C ATOM 289 CD2 TYR A 18 -10.864 -4.591 11.319 1.00 0.00 C ATOM 290 CE1 TYR A 18 -12.155 -6.300 9.579 1.00 0.00 C ATOM 291 CE2 TYR A 18 -11.772 -5.512 11.806 1.00 0.00 C ATOM 292 CZ TYR A 18 -12.414 -6.364 10.933 1.00 0.00 C ATOM 293 OH TYR A 18 -13.320 -7.283 11.412 1.00 0.00 O ATOM 0 H TYR A 18 -6.877 -3.074 10.187 1.00 0.00 H new ATOM 0 HA TYR A 18 -8.410 -5.178 8.795 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -9.401 -2.750 10.205 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -10.029 -2.976 8.585 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -11.044 -5.328 8.041 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -10.363 -3.925 12.006 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -12.660 -6.968 8.897 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -11.978 -5.564 12.865 1.00 0.00 H new ATOM 0 HH TYR A 18 -13.387 -7.199 12.386 1.00 0.00 H new ATOM 303 N PRO A 19 -7.705 -4.171 6.607 1.00 0.00 N ATOM 304 CA PRO A 19 -7.236 -3.621 5.331 1.00 0.00 C ATOM 305 C PRO A 19 -8.235 -2.645 4.719 1.00 0.00 C ATOM 306 O PRO A 19 -9.096 -3.034 3.931 1.00 0.00 O ATOM 307 CB PRO A 19 -7.090 -4.859 4.444 1.00 0.00 C ATOM 308 CG PRO A 19 -8.063 -5.838 5.002 1.00 0.00 C ATOM 309 CD PRO A 19 -8.102 -5.588 6.485 1.00 0.00 C ATOM 0 HA PRO A 19 -6.314 -3.051 5.447 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.313 -4.629 3.402 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.073 -5.250 4.474 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -9.049 -5.703 4.558 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -7.754 -6.861 4.787 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -9.097 -5.763 6.895 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -7.416 -6.244 7.021 1.00 0.00 H new ATOM 317 N HIS A 20 -8.114 -1.373 5.088 1.00 0.00 N ATOM 318 CA HIS A 20 -9.006 -0.340 4.575 1.00 0.00 C ATOM 319 C HIS A 20 -8.254 0.621 3.661 1.00 0.00 C ATOM 320 O HIS A 20 -7.050 0.825 3.812 1.00 0.00 O ATOM 321 CB HIS A 20 -9.645 0.430 5.731 1.00 0.00 C ATOM 322 CG HIS A 20 -10.914 -0.187 6.232 1.00 0.00 C ATOM 323 ND1 HIS A 20 -11.124 -1.549 6.272 1.00 0.00 N ATOM 324 CD2 HIS A 20 -12.043 0.380 6.720 1.00 0.00 C ATOM 325 CE1 HIS A 20 -12.327 -1.793 6.760 1.00 0.00 C ATOM 326 NE2 HIS A 20 -12.905 -0.639 7.040 1.00 0.00 N ATOM 0 H HIS A 20 -7.407 -1.034 5.740 1.00 0.00 H new ATOM 0 HA HIS A 20 -9.790 -0.826 3.995 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -8.932 0.493 6.553 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -9.850 1.451 5.408 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -12.230 1.437 6.836 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -12.764 -2.770 6.905 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -13.840 -0.524 7.431 1.00 0.00 H new ATOM 335 N TYR A 21 -8.974 1.211 2.711 1.00 0.00 N ATOM 336 CA TYR A 21 -8.376 2.150 1.771 1.00 0.00 C ATOM 337 C TYR A 21 -7.773 3.344 2.504 1.00 0.00 C ATOM 338 O TYR A 21 -8.178 3.669 3.619 1.00 0.00 O ATOM 339 CB TYR A 21 -9.420 2.632 0.761 1.00 0.00 C ATOM 340 CG TYR A 21 -8.822 3.256 -0.480 1.00 0.00 C ATOM 341 CD1 TYR A 21 -7.740 2.669 -1.124 1.00 0.00 C ATOM 342 CD2 TYR A 21 -9.339 4.434 -1.005 1.00 0.00 C ATOM 343 CE1 TYR A 21 -7.191 3.239 -2.257 1.00 0.00 C ATOM 344 CE2 TYR A 21 -8.796 5.008 -2.138 1.00 0.00 C ATOM 345 CZ TYR A 21 -7.722 4.408 -2.760 1.00 0.00 C ATOM 346 OH TYR A 21 -7.177 4.977 -3.889 1.00 0.00 O ATOM 0 H TYR A 21 -9.972 1.054 2.573 1.00 0.00 H new ATOM 0 HA TYR A 21 -7.579 1.632 1.238 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -10.045 1.789 0.468 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -10.072 3.359 1.245 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -7.321 1.753 -0.733 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -10.179 4.908 -0.519 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -6.350 2.771 -2.746 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -9.211 5.923 -2.535 1.00 0.00 H new ATOM 0 HH TYR A 21 -7.150 5.951 -3.784 1.00 0.00 H new ATOM 356 N PHE A 22 -6.800 3.991 1.870 1.00 0.00 N ATOM 357 CA PHE A 22 -6.139 5.147 2.462 1.00 0.00 C ATOM 358 C PHE A 22 -5.569 6.059 1.378 1.00 0.00 C ATOM 359 O PHE A 22 -5.001 5.588 0.393 1.00 0.00 O ATOM 360 CB PHE A 22 -5.026 4.689 3.407 1.00 0.00 C ATOM 361 CG PHE A 22 -5.122 5.284 4.784 1.00 0.00 C ATOM 362 CD1 PHE A 22 -5.086 6.658 4.963 1.00 0.00 C ATOM 363 CD2 PHE A 22 -5.250 4.469 5.897 1.00 0.00 C ATOM 364 CE1 PHE A 22 -5.174 7.206 6.228 1.00 0.00 C ATOM 365 CE2 PHE A 22 -5.340 5.012 7.164 1.00 0.00 C ATOM 366 CZ PHE A 22 -5.302 6.383 7.330 1.00 0.00 C ATOM 0 H PHE A 22 -6.452 3.734 0.946 1.00 0.00 H new ATOM 0 HA PHE A 22 -6.877 5.712 3.031 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.053 3.602 3.487 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -4.061 4.952 2.973 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -4.988 7.307 4.105 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -5.280 3.397 5.773 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -5.143 8.278 6.355 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -5.440 4.366 8.024 1.00 0.00 H new ATOM 0 HZ PHE A 22 -5.372 6.810 8.319 1.00 0.00 H new ATOM 376 N VAL A 23 -5.726 7.367 1.563 1.00 0.00 N ATOM 377 CA VAL A 23 -5.228 8.340 0.598 1.00 0.00 C ATOM 378 C VAL A 23 -4.361 9.399 1.273 1.00 0.00 C ATOM 379 O VAL A 23 -4.517 9.678 2.462 1.00 0.00 O ATOM 380 CB VAL A 23 -6.383 9.042 -0.144 1.00 0.00 C ATOM 381 CG1 VAL A 23 -5.860 9.788 -1.362 1.00 0.00 C ATOM 382 CG2 VAL A 23 -7.453 8.037 -0.545 1.00 0.00 C ATOM 0 H VAL A 23 -6.194 7.776 2.372 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.625 7.784 -0.120 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.835 9.767 0.532 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.689 10.277 -1.873 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.135 10.538 -1.046 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.380 9.084 -2.041 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -8.259 8.553 -1.067 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -7.017 7.285 -1.203 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.850 7.553 0.347 1.00 0.00 H new ATOM 392 N LEU A 24 -3.447 9.984 0.502 1.00 0.00 N ATOM 393 CA LEU A 24 -2.553 11.011 1.022 1.00 0.00 C ATOM 394 C LEU A 24 -2.484 12.204 0.074 1.00 0.00 C ATOM 395 O LEU A 24 -2.077 12.070 -1.082 1.00 0.00 O ATOM 396 CB LEU A 24 -1.153 10.436 1.235 1.00 0.00 C ATOM 397 CG LEU A 24 -0.274 11.209 2.221 1.00 0.00 C ATOM 398 CD1 LEU A 24 -0.051 12.633 1.737 1.00 0.00 C ATOM 399 CD2 LEU A 24 -0.900 11.206 3.607 1.00 0.00 C ATOM 0 H LEU A 24 -3.308 9.763 -0.484 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.950 11.352 1.978 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.249 9.409 1.587 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.643 10.397 0.272 1.00 0.00 H new ATOM 0 HG LEU A 24 0.695 10.713 2.280 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.576 13.166 2.452 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.442 12.614 0.765 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.011 13.141 1.647 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.262 11.760 4.296 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.882 11.677 3.564 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.005 10.179 3.956 1.00 0.00 H new ATOM 411 N THR A 25 -2.882 13.372 0.572 1.00 0.00 N ATOM 412 CA THR A 25 -2.863 14.593 -0.228 1.00 0.00 C ATOM 413 C THR A 25 -1.679 15.477 0.154 1.00 0.00 C ATOM 414 O THR A 25 -1.136 15.366 1.255 1.00 0.00 O ATOM 415 CB THR A 25 -4.171 15.366 -0.050 1.00 0.00 C ATOM 416 OG1 THR A 25 -4.543 15.419 1.315 1.00 0.00 O ATOM 417 CG2 THR A 25 -5.329 14.768 -0.818 1.00 0.00 C ATOM 0 H THR A 25 -3.221 13.498 1.526 1.00 0.00 H new ATOM 0 HA THR A 25 -2.757 14.309 -1.275 1.00 0.00 H new ATOM 0 HB THR A 25 -3.971 16.363 -0.443 1.00 0.00 H new ATOM 0 HG1 THR A 25 -3.799 15.104 1.869 1.00 0.00 H new ATOM 0 HG21 THR A 25 -6.225 15.365 -0.648 1.00 0.00 H new ATOM 0 HG22 THR A 25 -5.095 14.761 -1.882 1.00 0.00 H new ATOM 0 HG23 THR A 25 -5.503 13.747 -0.478 1.00 0.00 H new ATOM 425 N SER A 26 -1.285 16.348 -0.772 1.00 0.00 N ATOM 426 CA SER A 26 -0.158 17.260 -0.565 1.00 0.00 C ATOM 427 C SER A 26 -0.128 17.830 0.852 1.00 0.00 C ATOM 428 O SER A 26 0.944 18.097 1.395 1.00 0.00 O ATOM 429 CB SER A 26 -0.217 18.403 -1.580 1.00 0.00 C ATOM 430 OG SER A 26 1.054 19.009 -1.740 1.00 0.00 O ATOM 0 H SER A 26 -1.734 16.443 -1.683 1.00 0.00 H new ATOM 0 HA SER A 26 0.756 16.683 -0.707 1.00 0.00 H new ATOM 0 HB2 SER A 26 -0.566 18.023 -2.540 1.00 0.00 H new ATOM 0 HB3 SER A 26 -0.940 19.149 -1.251 1.00 0.00 H new ATOM 0 HG SER A 26 0.990 19.735 -2.395 1.00 0.00 H new ATOM 436 N SER A 27 -1.300 18.022 1.446 1.00 0.00 N ATOM 437 CA SER A 27 -1.381 18.566 2.796 1.00 0.00 C ATOM 438 C SER A 27 -2.638 18.088 3.516 1.00 0.00 C ATOM 439 O SER A 27 -3.362 18.886 4.112 1.00 0.00 O ATOM 440 CB SER A 27 -1.352 20.096 2.750 1.00 0.00 C ATOM 441 OG SER A 27 -0.084 20.570 2.331 1.00 0.00 O ATOM 0 H SER A 27 -2.201 17.811 1.018 1.00 0.00 H new ATOM 0 HA SER A 27 -0.517 18.205 3.354 1.00 0.00 H new ATOM 0 HB2 SER A 27 -2.122 20.457 2.068 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.586 20.497 3.736 1.00 0.00 H new ATOM 0 HG SER A 27 0.484 19.810 2.084 1.00 0.00 H new ATOM 447 N LYS A 28 -2.891 16.786 3.465 1.00 0.00 N ATOM 448 CA LYS A 28 -4.061 16.217 4.125 1.00 0.00 C ATOM 449 C LYS A 28 -4.072 14.696 4.016 1.00 0.00 C ATOM 450 O LYS A 28 -3.463 14.122 3.117 1.00 0.00 O ATOM 451 CB LYS A 28 -5.345 16.797 3.522 1.00 0.00 C ATOM 452 CG LYS A 28 -5.970 17.894 4.367 1.00 0.00 C ATOM 453 CD LYS A 28 -7.487 17.877 4.271 1.00 0.00 C ATOM 454 CE LYS A 28 -8.004 19.002 3.389 1.00 0.00 C ATOM 455 NZ LYS A 28 -7.696 20.342 3.957 1.00 0.00 N ATOM 0 H LYS A 28 -2.306 16.107 2.977 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.011 16.481 5.181 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.125 17.194 2.531 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.070 15.994 3.390 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.669 17.769 5.407 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.595 18.864 4.041 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.816 16.919 3.870 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.916 17.969 5.269 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.560 18.918 2.397 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.082 18.900 3.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -8.384 21.036 3.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.751 20.300 4.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.738 20.628 3.672 1.00 0.00 H new ATOM 469 N ILE A 29 -4.772 14.052 4.944 1.00 0.00 N ATOM 470 CA ILE A 29 -4.873 12.598 4.961 1.00 0.00 C ATOM 471 C ILE A 29 -6.332 12.159 4.941 1.00 0.00 C ATOM 472 O ILE A 29 -7.119 12.558 5.800 1.00 0.00 O ATOM 473 CB ILE A 29 -4.183 11.995 6.202 1.00 0.00 C ATOM 474 CG1 ILE A 29 -2.889 12.751 6.514 1.00 0.00 C ATOM 475 CG2 ILE A 29 -3.903 10.516 5.984 1.00 0.00 C ATOM 476 CD1 ILE A 29 -2.112 12.172 7.678 1.00 0.00 C ATOM 0 H ILE A 29 -5.280 14.517 5.697 1.00 0.00 H new ATOM 0 HA ILE A 29 -4.367 12.233 4.067 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.852 12.096 7.057 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.254 12.749 5.628 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -3.130 13.792 6.731 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.416 10.104 6.868 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -4.841 9.990 5.808 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.251 10.393 5.120 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.208 12.759 7.840 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.728 12.199 8.577 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.839 11.140 7.456 1.00 0.00 H new ATOM 488 N TYR A 30 -6.693 11.343 3.955 1.00 0.00 N ATOM 489 CA TYR A 30 -8.066 10.865 3.832 1.00 0.00 C ATOM 490 C TYR A 30 -8.144 9.354 4.019 1.00 0.00 C ATOM 491 O TYR A 30 -7.177 8.634 3.774 1.00 0.00 O ATOM 492 CB TYR A 30 -8.641 11.252 2.468 1.00 0.00 C ATOM 493 CG TYR A 30 -8.727 12.747 2.251 1.00 0.00 C ATOM 494 CD1 TYR A 30 -7.589 13.498 1.990 1.00 0.00 C ATOM 495 CD2 TYR A 30 -9.949 13.406 2.307 1.00 0.00 C ATOM 496 CE1 TYR A 30 -7.663 14.864 1.793 1.00 0.00 C ATOM 497 CE2 TYR A 30 -10.033 14.771 2.111 1.00 0.00 C ATOM 498 CZ TYR A 30 -8.888 15.495 1.855 1.00 0.00 C ATOM 499 OH TYR A 30 -8.968 16.855 1.659 1.00 0.00 O ATOM 0 H TYR A 30 -6.058 11.001 3.234 1.00 0.00 H new ATOM 0 HA TYR A 30 -8.656 11.336 4.618 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -8.023 10.814 1.684 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -9.637 10.820 2.367 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -6.629 13.006 1.940 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -10.848 12.842 2.507 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -6.768 15.434 1.592 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -10.991 15.268 2.158 1.00 0.00 H new ATOM 0 HH TYR A 30 -9.902 17.142 1.735 1.00 0.00 H new ATOM 509 N TYR A 31 -9.307 8.882 4.457 1.00 0.00 N ATOM 510 CA TYR A 31 -9.523 7.458 4.679 1.00 0.00 C ATOM 511 C TYR A 31 -11.014 7.130 4.669 1.00 0.00 C ATOM 512 O TYR A 31 -11.842 7.956 5.052 1.00 0.00 O ATOM 513 CB TYR A 31 -8.904 7.030 6.013 1.00 0.00 C ATOM 514 CG TYR A 31 -9.539 7.690 7.215 1.00 0.00 C ATOM 515 CD1 TYR A 31 -10.775 7.271 7.690 1.00 0.00 C ATOM 516 CD2 TYR A 31 -8.903 8.735 7.876 1.00 0.00 C ATOM 517 CE1 TYR A 31 -11.360 7.874 8.788 1.00 0.00 C ATOM 518 CE2 TYR A 31 -9.480 9.341 8.974 1.00 0.00 C ATOM 519 CZ TYR A 31 -10.708 8.907 9.425 1.00 0.00 C ATOM 520 OH TYR A 31 -11.287 9.509 10.520 1.00 0.00 O ATOM 0 H TYR A 31 -10.116 9.467 4.665 1.00 0.00 H new ATOM 0 HA TYR A 31 -9.041 6.909 3.870 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -8.992 5.948 6.114 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -7.839 7.263 6.001 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -11.288 6.461 7.193 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -7.941 9.078 7.524 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -12.322 7.537 9.144 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -8.972 10.151 9.477 1.00 0.00 H new ATOM 0 HH TYR A 31 -10.698 10.218 10.853 1.00 0.00 H new ATOM 530 N SER A 32 -11.349 5.922 4.227 1.00 0.00 N ATOM 531 CA SER A 32 -12.741 5.493 4.168 1.00 0.00 C ATOM 532 C SER A 32 -12.856 3.981 4.341 1.00 0.00 C ATOM 533 O SER A 32 -11.850 3.279 4.438 1.00 0.00 O ATOM 534 CB SER A 32 -13.370 5.914 2.838 1.00 0.00 C ATOM 535 OG SER A 32 -12.811 5.188 1.756 1.00 0.00 O ATOM 0 H SER A 32 -10.677 5.225 3.905 1.00 0.00 H new ATOM 0 HA SER A 32 -13.277 5.975 4.986 1.00 0.00 H new ATOM 0 HB2 SER A 32 -14.447 5.749 2.873 1.00 0.00 H new ATOM 0 HB3 SER A 32 -13.216 6.982 2.681 1.00 0.00 H new ATOM 0 HG SER A 32 -13.231 5.474 0.918 1.00 0.00 H new ATOM 1396 N GLY A 91 -13.213 10.250 5.772 1.00 0.00 N ATOM 1397 CA GLY A 91 -12.396 10.805 6.834 1.00 0.00 C ATOM 1398 C GLY A 91 -11.304 11.714 6.308 1.00 0.00 C ATOM 1399 O GLY A 91 -10.783 11.499 5.214 1.00 0.00 O ATOM 0 HA2 GLY A 91 -13.030 11.364 7.522 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -11.945 9.993 7.404 1.00 0.00 H new ATOM 1403 N VAL A 92 -10.957 12.734 7.088 1.00 0.00 N ATOM 1404 CA VAL A 92 -9.920 13.679 6.691 1.00 0.00 C ATOM 1405 C VAL A 92 -9.104 14.139 7.897 1.00 0.00 C ATOM 1406 O VAL A 92 -9.603 14.166 9.022 1.00 0.00 O ATOM 1407 CB VAL A 92 -10.523 14.910 5.986 1.00 0.00 C ATOM 1408 CG1 VAL A 92 -11.459 15.661 6.921 1.00 0.00 C ATOM 1409 CG2 VAL A 92 -9.421 15.827 5.474 1.00 0.00 C ATOM 0 H VAL A 92 -11.378 12.926 7.997 1.00 0.00 H new ATOM 0 HA VAL A 92 -9.265 13.158 5.993 1.00 0.00 H new ATOM 0 HB VAL A 92 -11.104 14.564 5.131 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -11.873 16.526 6.403 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -12.269 15.001 7.232 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -10.906 15.994 7.799 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -9.866 16.690 4.979 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -8.810 16.164 6.311 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -8.797 15.284 4.764 1.00 0.00 H new ATOM 1419 N LEU A 93 -7.847 14.497 7.653 1.00 0.00 N ATOM 1420 CA LEU A 93 -6.962 14.955 8.717 1.00 0.00 C ATOM 1421 C LEU A 93 -5.846 15.830 8.157 1.00 0.00 C ATOM 1422 O LEU A 93 -5.674 15.934 6.943 1.00 0.00 O ATOM 1423 CB LEU A 93 -6.367 13.761 9.465 1.00 0.00 C ATOM 1424 CG LEU A 93 -5.951 14.045 10.910 1.00 0.00 C ATOM 1425 CD1 LEU A 93 -6.444 12.945 11.837 1.00 0.00 C ATOM 1426 CD2 LEU A 93 -4.440 14.193 11.013 1.00 0.00 C ATOM 0 H LEU A 93 -7.419 14.479 6.727 1.00 0.00 H new ATOM 0 HA LEU A 93 -7.551 15.552 9.414 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.097 12.951 9.465 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -5.496 13.405 8.915 1.00 0.00 H new ATOM 0 HG LEU A 93 -6.410 14.984 11.219 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -6.138 13.166 12.859 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -7.531 12.888 11.788 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -6.017 11.991 11.529 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.164 14.395 12.048 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.961 13.271 10.682 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.112 15.019 10.382 1.00 0.00 H new ATOM 1438 N ASP A 94 -5.088 16.458 9.051 1.00 0.00 N ATOM 1439 CA ASP A 94 -3.988 17.327 8.646 1.00 0.00 C ATOM 1440 C ASP A 94 -2.649 16.608 8.773 1.00 0.00 C ATOM 1441 O ASP A 94 -2.251 16.202 9.867 1.00 0.00 O ATOM 1442 CB ASP A 94 -3.978 18.599 9.494 1.00 0.00 C ATOM 1443 CG ASP A 94 -5.206 19.458 9.264 1.00 0.00 C ATOM 1444 OD1 ASP A 94 -5.463 19.827 8.099 1.00 0.00 O ATOM 1445 OD2 ASP A 94 -5.912 19.761 10.249 1.00 0.00 O ATOM 0 H ASP A 94 -5.215 16.381 10.060 1.00 0.00 H new ATOM 0 HA ASP A 94 -4.137 17.595 7.600 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -3.920 18.329 10.548 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -3.084 19.179 9.264 1.00 0.00 H new ATOM 1450 N VAL A 95 -1.956 16.454 7.649 1.00 0.00 N ATOM 1451 CA VAL A 95 -0.662 15.787 7.633 1.00 0.00 C ATOM 1452 C VAL A 95 0.488 16.730 8.015 1.00 0.00 C ATOM 1453 O VAL A 95 1.508 16.276 8.533 1.00 0.00 O ATOM 1454 CB VAL A 95 -0.366 15.159 6.255 1.00 0.00 C ATOM 1455 CG1 VAL A 95 -0.215 16.233 5.189 1.00 0.00 C ATOM 1456 CG2 VAL A 95 0.879 14.288 6.322 1.00 0.00 C ATOM 0 H VAL A 95 -2.271 16.783 6.737 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.724 14.999 8.383 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.212 14.529 5.980 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.007 15.764 4.227 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.138 16.809 5.120 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.608 16.896 5.455 1.00 0.00 H new ATOM 0 HG21 VAL A 95 1.072 13.853 5.341 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.732 14.895 6.624 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.726 13.490 7.049 1.00 0.00 H new ATOM 1466 N PRO A 96 0.358 18.053 7.771 1.00 0.00 N ATOM 1467 CA PRO A 96 1.410 19.012 8.102 1.00 0.00 C ATOM 1468 C PRO A 96 1.329 19.493 9.547 1.00 0.00 C ATOM 1469 O PRO A 96 1.364 20.695 9.816 1.00 0.00 O ATOM 1470 CB PRO A 96 1.131 20.159 7.139 1.00 0.00 C ATOM 1471 CG PRO A 96 -0.352 20.153 6.969 1.00 0.00 C ATOM 1472 CD PRO A 96 -0.806 18.723 7.155 1.00 0.00 C ATOM 0 HA PRO A 96 2.407 18.582 8.009 1.00 0.00 H new ATOM 0 HB2 PRO A 96 1.480 21.110 7.542 1.00 0.00 H new ATOM 0 HB3 PRO A 96 1.640 20.010 6.187 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -0.828 20.808 7.699 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -0.630 20.522 5.982 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -1.685 18.664 7.796 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -1.074 18.263 6.204 1.00 0.00 H new ATOM 1480 N ALA A 97 1.223 18.549 10.477 1.00 0.00 N ATOM 1481 CA ALA A 97 1.139 18.873 11.896 1.00 0.00 C ATOM 1482 C ALA A 97 1.039 17.607 12.740 1.00 0.00 C ATOM 1483 O ALA A 97 0.317 17.567 13.736 1.00 0.00 O ATOM 1484 CB ALA A 97 -0.054 19.780 12.162 1.00 0.00 C ATOM 0 H ALA A 97 1.193 17.550 10.272 1.00 0.00 H new ATOM 0 HA ALA A 97 2.051 19.399 12.178 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -0.104 20.013 13.226 1.00 0.00 H new ATOM 0 HB2 ALA A 97 0.057 20.703 11.593 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -0.971 19.274 11.858 1.00 0.00 H new ATOM 1490 N CYS A 98 1.770 16.573 12.334 1.00 0.00 N ATOM 1491 CA CYS A 98 1.764 15.304 13.050 1.00 0.00 C ATOM 1492 C CYS A 98 3.175 14.740 13.172 1.00 0.00 C ATOM 1493 O CYS A 98 4.123 15.281 12.603 1.00 0.00 O ATOM 1494 CB CYS A 98 0.859 14.295 12.338 1.00 0.00 C ATOM 1495 SG CYS A 98 1.419 13.845 10.679 1.00 0.00 S ATOM 0 H CYS A 98 2.374 16.590 11.512 1.00 0.00 H new ATOM 0 HA CYS A 98 1.377 15.485 14.053 1.00 0.00 H new ATOM 0 HB2 CYS A 98 0.792 13.392 12.945 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -0.147 14.709 12.271 1.00 0.00 H new ATOM 0 HG CYS A 98 1.449 14.906 9.928 1.00 0.00 H new ATOM 1501 N GLN A 99 3.306 13.646 13.916 1.00 0.00 N ATOM 1502 CA GLN A 99 4.600 13.004 14.113 1.00 0.00 C ATOM 1503 C GLN A 99 4.469 11.486 14.020 1.00 0.00 C ATOM 1504 O GLN A 99 3.834 10.856 14.865 1.00 0.00 O ATOM 1505 CB GLN A 99 5.187 13.399 15.471 1.00 0.00 C ATOM 1506 CG GLN A 99 6.516 12.728 15.783 1.00 0.00 C ATOM 1507 CD GLN A 99 7.528 12.887 14.665 1.00 0.00 C ATOM 1508 OE1 GLN A 99 7.598 13.933 14.020 1.00 0.00 O ATOM 1509 NE2 GLN A 99 8.321 11.847 14.433 1.00 0.00 N ATOM 0 H GLN A 99 2.531 13.186 14.393 1.00 0.00 H new ATOM 0 HA GLN A 99 5.273 13.342 13.325 1.00 0.00 H new ATOM 0 HB2 GLN A 99 5.321 14.480 15.498 1.00 0.00 H new ATOM 0 HB3 GLN A 99 4.471 13.147 16.253 1.00 0.00 H new ATOM 0 HG2 GLN A 99 6.925 13.150 16.701 1.00 0.00 H new ATOM 0 HG3 GLN A 99 6.348 11.667 15.968 1.00 0.00 H new ATOM 0 HE21 GLN A 99 8.228 11.000 14.993 1.00 0.00 H new ATOM 0 HE22 GLN A 99 9.023 11.896 13.695 1.00 0.00 H new ATOM 1518 N ILE A 100 5.073 10.907 12.989 1.00 0.00 N ATOM 1519 CA ILE A 100 5.022 9.464 12.786 1.00 0.00 C ATOM 1520 C ILE A 100 6.015 8.748 13.695 1.00 0.00 C ATOM 1521 O ILE A 100 6.969 9.350 14.187 1.00 0.00 O ATOM 1522 CB ILE A 100 5.326 9.086 11.322 1.00 0.00 C ATOM 1523 CG1 ILE A 100 4.557 9.996 10.360 1.00 0.00 C ATOM 1524 CG2 ILE A 100 4.979 7.626 11.072 1.00 0.00 C ATOM 1525 CD1 ILE A 100 3.055 9.809 10.421 1.00 0.00 C ATOM 0 H ILE A 100 5.604 11.414 12.281 1.00 0.00 H new ATOM 0 HA ILE A 100 4.008 9.148 13.032 1.00 0.00 H new ATOM 0 HB ILE A 100 6.392 9.224 11.142 1.00 0.00 H new ATOM 0 HG12 ILE A 100 4.795 11.035 10.587 1.00 0.00 H new ATOM 0 HG13 ILE A 100 4.898 9.806 9.342 1.00 0.00 H new ATOM 0 HG21 ILE A 100 5.198 7.372 10.035 1.00 0.00 H new ATOM 0 HG22 ILE A 100 5.571 6.993 11.733 1.00 0.00 H new ATOM 0 HG23 ILE A 100 3.919 7.465 11.268 1.00 0.00 H new ATOM 0 HD11 ILE A 100 2.575 10.485 9.714 1.00 0.00 H new ATOM 0 HD12 ILE A 100 2.806 8.779 10.165 1.00 0.00 H new ATOM 0 HD13 ILE A 100 2.702 10.028 11.429 1.00 0.00 H new ATOM 1537 N ALA A 101 5.783 7.457 13.914 1.00 0.00 N ATOM 1538 CA ALA A 101 6.657 6.658 14.764 1.00 0.00 C ATOM 1539 C ALA A 101 6.643 5.194 14.338 1.00 0.00 C ATOM 1540 O ALA A 101 5.802 4.416 14.787 1.00 0.00 O ATOM 1541 CB ALA A 101 6.242 6.790 16.221 1.00 0.00 C ATOM 0 H ALA A 101 4.998 6.943 13.515 1.00 0.00 H new ATOM 0 HA ALA A 101 7.674 7.033 14.654 1.00 0.00 H new ATOM 0 HB1 ALA A 101 6.904 6.188 16.844 1.00 0.00 H new ATOM 0 HB2 ALA A 101 6.309 7.835 16.525 1.00 0.00 H new ATOM 0 HB3 ALA A 101 5.216 6.442 16.340 1.00 0.00 H new ATOM 1547 N ILE A 102 7.580 4.826 13.472 1.00 0.00 N ATOM 1548 CA ILE A 102 7.674 3.453 12.987 1.00 0.00 C ATOM 1549 C ILE A 102 7.859 2.476 14.143 1.00 0.00 C ATOM 1550 O ILE A 102 8.614 2.740 15.078 1.00 0.00 O ATOM 1551 CB ILE A 102 8.839 3.282 11.990 1.00 0.00 C ATOM 1552 CG1 ILE A 102 8.708 4.285 10.842 1.00 0.00 C ATOM 1553 CG2 ILE A 102 8.878 1.857 11.454 1.00 0.00 C ATOM 1554 CD1 ILE A 102 9.818 4.181 9.819 1.00 0.00 C ATOM 0 H ILE A 102 8.285 5.458 13.091 1.00 0.00 H new ATOM 0 HA ILE A 102 6.737 3.235 12.474 1.00 0.00 H new ATOM 0 HB ILE A 102 9.775 3.476 12.514 1.00 0.00 H new ATOM 0 HG12 ILE A 102 7.751 4.132 10.344 1.00 0.00 H new ATOM 0 HG13 ILE A 102 8.696 5.295 11.252 1.00 0.00 H new ATOM 0 HG21 ILE A 102 9.706 1.755 10.752 1.00 0.00 H new ATOM 0 HG22 ILE A 102 9.015 1.161 12.281 1.00 0.00 H new ATOM 0 HG23 ILE A 102 7.941 1.634 10.944 1.00 0.00 H new ATOM 0 HD11 ILE A 102 9.661 4.921 9.035 1.00 0.00 H new ATOM 0 HD12 ILE A 102 10.777 4.364 10.303 1.00 0.00 H new ATOM 0 HD13 ILE A 102 9.817 3.183 9.381 1.00 0.00 H new ATOM 1566 N ARG A 103 7.166 1.346 14.068 1.00 0.00 N ATOM 1567 CA ARG A 103 7.252 0.326 15.106 1.00 0.00 C ATOM 1568 C ARG A 103 7.583 -1.036 14.499 1.00 0.00 C ATOM 1569 O ARG A 103 6.739 -1.650 13.845 1.00 0.00 O ATOM 1570 CB ARG A 103 5.934 0.244 15.880 1.00 0.00 C ATOM 1571 CG ARG A 103 6.118 0.145 17.386 1.00 0.00 C ATOM 1572 CD ARG A 103 4.889 -0.444 18.063 1.00 0.00 C ATOM 1573 NE ARG A 103 4.263 0.506 18.979 1.00 0.00 N ATOM 1574 CZ ARG A 103 3.011 0.393 19.421 1.00 0.00 C ATOM 1575 NH1 ARG A 103 2.252 -0.624 19.033 1.00 0.00 N ATOM 1576 NH2 ARG A 103 2.518 1.301 20.253 1.00 0.00 N ATOM 0 H ARG A 103 6.538 1.113 13.299 1.00 0.00 H new ATOM 0 HA ARG A 103 8.051 0.605 15.792 1.00 0.00 H new ATOM 0 HB2 ARG A 103 5.333 1.125 15.653 1.00 0.00 H new ATOM 0 HB3 ARG A 103 5.372 -0.623 15.533 1.00 0.00 H new ATOM 0 HG2 ARG A 103 6.988 -0.474 17.607 1.00 0.00 H new ATOM 0 HG3 ARG A 103 6.320 1.135 17.794 1.00 0.00 H new ATOM 0 HD2 ARG A 103 4.167 -0.747 17.305 1.00 0.00 H new ATOM 0 HD3 ARG A 103 5.172 -1.343 18.610 1.00 0.00 H new ATOM 0 HE ARG A 103 4.816 1.301 19.299 1.00 0.00 H new ATOM 0 HH11 ARG A 103 2.626 -1.325 18.393 1.00 0.00 H new ATOM 0 HH12 ARG A 103 1.294 -0.705 19.375 1.00 0.00 H new ATOM 0 HH21 ARG A 103 3.097 2.085 20.554 1.00 0.00 H new ATOM 0 HH22 ARG A 103 1.560 1.215 20.592 1.00 0.00 H new ATOM 1590 N PRO A 104 8.818 -1.535 14.702 1.00 0.00 N ATOM 1591 CA PRO A 104 9.248 -2.829 14.168 1.00 0.00 C ATOM 1592 C PRO A 104 8.709 -4.010 14.980 1.00 0.00 C ATOM 1593 O PRO A 104 9.278 -5.101 14.951 1.00 0.00 O ATOM 1594 CB PRO A 104 10.785 -2.778 14.265 1.00 0.00 C ATOM 1595 CG PRO A 104 11.125 -1.411 14.772 1.00 0.00 C ATOM 1596 CD PRO A 104 9.895 -0.888 15.455 1.00 0.00 C ATOM 0 HA PRO A 104 8.876 -2.983 13.155 1.00 0.00 H new ATOM 0 HB2 PRO A 104 11.158 -3.548 14.940 1.00 0.00 H new ATOM 0 HB3 PRO A 104 11.243 -2.958 13.292 1.00 0.00 H new ATOM 0 HG2 PRO A 104 11.965 -1.453 15.465 1.00 0.00 H new ATOM 0 HG3 PRO A 104 11.421 -0.756 13.952 1.00 0.00 H new ATOM 0 HD2 PRO A 104 9.871 -1.157 16.511 1.00 0.00 H new ATOM 0 HD3 PRO A 104 9.832 0.199 15.402 1.00 0.00 H new ATOM 1604 N GLU A 105 7.614 -3.787 15.703 1.00 0.00 N ATOM 1605 CA GLU A 105 7.007 -4.832 16.518 1.00 0.00 C ATOM 1606 C GLU A 105 5.682 -4.350 17.105 1.00 0.00 C ATOM 1607 O GLU A 105 5.541 -4.211 18.319 1.00 0.00 O ATOM 1608 CB GLU A 105 7.960 -5.252 17.639 1.00 0.00 C ATOM 1609 CG GLU A 105 7.926 -6.742 17.938 1.00 0.00 C ATOM 1610 CD GLU A 105 8.777 -7.549 16.978 1.00 0.00 C ATOM 1611 OE1 GLU A 105 10.012 -7.361 16.978 1.00 0.00 O ATOM 1612 OE2 GLU A 105 8.209 -8.367 16.225 1.00 0.00 O ATOM 0 H GLU A 105 7.130 -2.890 15.740 1.00 0.00 H new ATOM 0 HA GLU A 105 6.811 -5.696 15.882 1.00 0.00 H new ATOM 0 HB2 GLU A 105 8.976 -4.967 17.367 1.00 0.00 H new ATOM 0 HB3 GLU A 105 7.707 -4.702 18.545 1.00 0.00 H new ATOM 0 HG2 GLU A 105 8.274 -6.912 18.957 1.00 0.00 H new ATOM 0 HG3 GLU A 105 6.896 -7.095 17.889 1.00 0.00 H new ATOM 1619 N GLY A 106 4.713 -4.092 16.231 1.00 0.00 N ATOM 1620 CA GLY A 106 3.415 -3.623 16.677 1.00 0.00 C ATOM 1621 C GLY A 106 2.761 -4.565 17.668 1.00 0.00 C ATOM 1622 O GLY A 106 3.031 -4.500 18.866 1.00 0.00 O ATOM 0 H GLY A 106 4.805 -4.200 15.221 1.00 0.00 H new ATOM 0 HA2 GLY A 106 3.526 -2.640 17.135 1.00 0.00 H new ATOM 0 HA3 GLY A 106 2.761 -3.500 15.813 1.00 0.00 H new ATOM 1626 N LYS A 107 1.893 -5.439 17.165 1.00 0.00 N ATOM 1627 CA LYS A 107 1.194 -6.398 18.015 1.00 0.00 C ATOM 1628 C LYS A 107 0.258 -7.278 17.193 1.00 0.00 C ATOM 1629 O LYS A 107 -0.185 -6.891 16.112 1.00 0.00 O ATOM 1630 CB LYS A 107 0.397 -5.667 19.098 1.00 0.00 C ATOM 1631 CG LYS A 107 -0.652 -4.718 18.545 1.00 0.00 C ATOM 1632 CD LYS A 107 -0.083 -3.326 18.320 1.00 0.00 C ATOM 1633 CE LYS A 107 -1.074 -2.246 18.724 1.00 0.00 C ATOM 1634 NZ LYS A 107 -1.075 -1.106 17.767 1.00 0.00 N ATOM 0 H LYS A 107 1.657 -5.503 16.175 1.00 0.00 H new ATOM 0 HA LYS A 107 1.942 -7.035 18.487 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -0.091 -6.403 19.737 1.00 0.00 H new ATOM 0 HB3 LYS A 107 1.087 -5.106 19.728 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -1.039 -5.110 17.604 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -1.493 -4.661 19.236 1.00 0.00 H new ATOM 0 HD2 LYS A 107 0.836 -3.211 18.894 1.00 0.00 H new ATOM 0 HD3 LYS A 107 0.180 -3.205 17.269 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -2.075 -2.674 18.779 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -0.828 -1.882 19.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -1.545 -0.287 18.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -0.095 -0.855 17.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -1.586 -1.378 16.903 1.00 0.00 H new ATOM 1648 N ASN A 108 -0.045 -8.461 17.718 1.00 0.00 N ATOM 1649 CA ASN A 108 -0.935 -9.398 17.039 1.00 0.00 C ATOM 1650 C ASN A 108 -0.399 -9.762 15.656 1.00 0.00 C ATOM 1651 O ASN A 108 -1.077 -9.575 14.645 1.00 0.00 O ATOM 1652 CB ASN A 108 -2.338 -8.801 16.916 1.00 0.00 C ATOM 1653 CG ASN A 108 -2.968 -8.524 18.267 1.00 0.00 C ATOM 1654 OD1 ASN A 108 -3.443 -9.435 18.943 1.00 0.00 O ATOM 1655 ND2 ASN A 108 -2.973 -7.258 18.668 1.00 0.00 N ATOM 0 H ASN A 108 0.313 -8.794 18.613 1.00 0.00 H new ATOM 0 HA ASN A 108 -0.985 -10.308 17.636 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -2.287 -7.874 16.345 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -2.974 -9.486 16.355 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -3.382 -7.010 19.569 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -2.568 -6.534 18.075 1.00 0.00 H new ATOM 1662 N ASN A 109 0.820 -10.289 15.620 1.00 0.00 N ATOM 1663 CA ASN A 109 1.445 -10.687 14.363 1.00 0.00 C ATOM 1664 C ASN A 109 1.564 -9.501 13.409 1.00 0.00 C ATOM 1665 O ASN A 109 1.042 -9.532 12.294 1.00 0.00 O ATOM 1666 CB ASN A 109 0.640 -11.811 13.706 1.00 0.00 C ATOM 1667 CG ASN A 109 0.536 -13.038 14.590 1.00 0.00 C ATOM 1668 OD1 ASN A 109 1.487 -13.403 15.282 1.00 0.00 O ATOM 1669 ND2 ASN A 109 -0.625 -13.683 14.570 1.00 0.00 N ATOM 0 H ASN A 109 1.395 -10.451 16.447 1.00 0.00 H new ATOM 0 HA ASN A 109 2.449 -11.048 14.584 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -0.361 -11.449 13.472 1.00 0.00 H new ATOM 0 HB3 ASN A 109 1.109 -12.086 12.761 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -0.755 -14.516 15.143 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -1.386 -13.345 13.981 1.00 0.00 H new ATOM 1676 N ARG A 110 2.257 -8.458 13.853 1.00 0.00 N ATOM 1677 CA ARG A 110 2.449 -7.264 13.039 1.00 0.00 C ATOM 1678 C ARG A 110 3.742 -6.553 13.421 1.00 0.00 C ATOM 1679 O ARG A 110 3.753 -5.692 14.300 1.00 0.00 O ATOM 1680 CB ARG A 110 1.260 -6.314 13.199 1.00 0.00 C ATOM 1681 CG ARG A 110 0.200 -6.479 12.122 1.00 0.00 C ATOM 1682 CD ARG A 110 0.649 -5.875 10.801 1.00 0.00 C ATOM 1683 NE ARG A 110 1.127 -6.894 9.869 1.00 0.00 N ATOM 1684 CZ ARG A 110 1.237 -6.704 8.556 1.00 0.00 C ATOM 1685 NH1 ARG A 110 0.905 -5.537 8.017 1.00 0.00 N ATOM 1686 NH2 ARG A 110 1.679 -7.683 7.780 1.00 0.00 N ATOM 0 H ARG A 110 2.695 -8.416 14.773 1.00 0.00 H new ATOM 0 HA ARG A 110 2.518 -7.570 11.995 1.00 0.00 H new ATOM 0 HB2 ARG A 110 0.803 -6.478 14.175 1.00 0.00 H new ATOM 0 HB3 ARG A 110 1.623 -5.286 13.186 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -0.018 -7.538 11.984 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -0.726 -6.003 12.445 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -0.181 -5.331 10.350 1.00 0.00 H new ATOM 0 HD3 ARG A 110 1.442 -5.150 10.984 1.00 0.00 H new ATOM 0 HE ARG A 110 1.392 -7.804 10.246 1.00 0.00 H new ATOM 0 HH11 ARG A 110 0.564 -4.780 8.610 1.00 0.00 H new ATOM 0 HH12 ARG A 110 0.991 -5.397 7.010 1.00 0.00 H new ATOM 0 HH21 ARG A 110 1.935 -8.582 8.189 1.00 0.00 H new ATOM 0 HH22 ARG A 110 1.763 -7.538 6.774 1.00 0.00 H new ATOM 1700 N LEU A 111 4.832 -6.924 12.758 1.00 0.00 N ATOM 1701 CA LEU A 111 6.134 -6.324 13.030 1.00 0.00 C ATOM 1702 C LEU A 111 6.285 -4.986 12.313 1.00 0.00 C ATOM 1703 O LEU A 111 7.014 -4.107 12.770 1.00 0.00 O ATOM 1704 CB LEU A 111 7.258 -7.273 12.608 1.00 0.00 C ATOM 1705 CG LEU A 111 7.076 -7.927 11.235 1.00 0.00 C ATOM 1706 CD1 LEU A 111 8.405 -8.007 10.501 1.00 0.00 C ATOM 1707 CD2 LEU A 111 6.461 -9.312 11.383 1.00 0.00 C ATOM 0 H LEU A 111 4.840 -7.637 12.029 1.00 0.00 H new ATOM 0 HA LEU A 111 6.202 -6.146 14.103 1.00 0.00 H new ATOM 0 HB2 LEU A 111 8.198 -6.721 12.608 1.00 0.00 H new ATOM 0 HB3 LEU A 111 7.350 -8.059 13.358 1.00 0.00 H new ATOM 0 HG LEU A 111 6.397 -7.310 10.646 1.00 0.00 H new ATOM 0 HD11 LEU A 111 8.256 -8.474 9.528 1.00 0.00 H new ATOM 0 HD12 LEU A 111 8.806 -7.003 10.363 1.00 0.00 H new ATOM 0 HD13 LEU A 111 9.108 -8.601 11.085 1.00 0.00 H new ATOM 0 HD21 LEU A 111 6.338 -9.763 10.398 1.00 0.00 H new ATOM 0 HD22 LEU A 111 7.116 -9.938 11.990 1.00 0.00 H new ATOM 0 HD23 LEU A 111 5.488 -9.228 11.867 1.00 0.00 H new ATOM 1719 N PHE A 112 5.591 -4.838 11.190 1.00 0.00 N ATOM 1720 CA PHE A 112 5.653 -3.605 10.414 1.00 0.00 C ATOM 1721 C PHE A 112 4.425 -2.737 10.668 1.00 0.00 C ATOM 1722 O PHE A 112 3.381 -2.924 10.043 1.00 0.00 O ATOM 1723 CB PHE A 112 5.766 -3.922 8.921 1.00 0.00 C ATOM 1724 CG PHE A 112 6.909 -4.835 8.585 1.00 0.00 C ATOM 1725 CD1 PHE A 112 8.210 -4.485 8.903 1.00 0.00 C ATOM 1726 CD2 PHE A 112 6.680 -6.044 7.949 1.00 0.00 C ATOM 1727 CE1 PHE A 112 9.265 -5.323 8.594 1.00 0.00 C ATOM 1728 CE2 PHE A 112 7.731 -6.887 7.636 1.00 0.00 C ATOM 1729 CZ PHE A 112 9.024 -6.526 7.958 1.00 0.00 C ATOM 0 H PHE A 112 4.980 -5.555 10.797 1.00 0.00 H new ATOM 0 HA PHE A 112 6.538 -3.052 10.730 1.00 0.00 H new ATOM 0 HB2 PHE A 112 4.836 -4.379 8.584 1.00 0.00 H new ATOM 0 HB3 PHE A 112 5.882 -2.990 8.368 1.00 0.00 H new ATOM 0 HD1 PHE A 112 8.403 -3.545 9.399 1.00 0.00 H new ATOM 0 HD2 PHE A 112 5.670 -6.331 7.695 1.00 0.00 H new ATOM 0 HE1 PHE A 112 10.275 -5.038 8.849 1.00 0.00 H new ATOM 0 HE2 PHE A 112 7.540 -7.827 7.140 1.00 0.00 H new ATOM 0 HZ PHE A 112 9.846 -7.183 7.713 1.00 0.00 H new ATOM 1739 N VAL A 113 4.558 -1.788 11.588 1.00 0.00 N ATOM 1740 CA VAL A 113 3.459 -0.890 11.925 1.00 0.00 C ATOM 1741 C VAL A 113 3.982 0.438 12.461 1.00 0.00 C ATOM 1742 O VAL A 113 4.690 0.477 13.465 1.00 0.00 O ATOM 1743 CB VAL A 113 2.521 -1.516 12.973 1.00 0.00 C ATOM 1744 CG1 VAL A 113 1.280 -0.657 13.160 1.00 0.00 C ATOM 1745 CG2 VAL A 113 2.140 -2.933 12.573 1.00 0.00 C ATOM 0 H VAL A 113 5.416 -1.620 12.114 1.00 0.00 H new ATOM 0 HA VAL A 113 2.900 -0.716 11.006 1.00 0.00 H new ATOM 0 HB VAL A 113 3.051 -1.562 13.924 1.00 0.00 H new ATOM 0 HG11 VAL A 113 0.629 -1.115 13.904 1.00 0.00 H new ATOM 0 HG12 VAL A 113 1.573 0.337 13.497 1.00 0.00 H new ATOM 0 HG13 VAL A 113 0.747 -0.576 12.213 1.00 0.00 H new ATOM 0 HG21 VAL A 113 1.477 -3.358 13.327 1.00 0.00 H new ATOM 0 HG22 VAL A 113 1.630 -2.915 11.610 1.00 0.00 H new ATOM 0 HG23 VAL A 113 3.040 -3.544 12.496 1.00 0.00 H new ATOM 1755 N PHE A 114 3.625 1.527 11.785 1.00 0.00 N ATOM 1756 CA PHE A 114 4.058 2.855 12.201 1.00 0.00 C ATOM 1757 C PHE A 114 2.910 3.620 12.852 1.00 0.00 C ATOM 1758 O PHE A 114 1.857 3.818 12.243 1.00 0.00 O ATOM 1759 CB PHE A 114 4.601 3.640 11.003 1.00 0.00 C ATOM 1760 CG PHE A 114 3.577 3.904 9.937 1.00 0.00 C ATOM 1761 CD1 PHE A 114 3.269 2.933 8.998 1.00 0.00 C ATOM 1762 CD2 PHE A 114 2.924 5.124 9.875 1.00 0.00 C ATOM 1763 CE1 PHE A 114 2.329 3.175 8.014 1.00 0.00 C ATOM 1764 CE2 PHE A 114 1.983 5.372 8.893 1.00 0.00 C ATOM 1765 CZ PHE A 114 1.685 4.395 7.962 1.00 0.00 C ATOM 0 H PHE A 114 3.039 1.515 10.950 1.00 0.00 H new ATOM 0 HA PHE A 114 4.855 2.737 12.935 1.00 0.00 H new ATOM 0 HB2 PHE A 114 4.999 4.592 11.355 1.00 0.00 H new ATOM 0 HB3 PHE A 114 5.433 3.088 10.566 1.00 0.00 H new ATOM 0 HD1 PHE A 114 3.769 1.976 9.035 1.00 0.00 H new ATOM 0 HD2 PHE A 114 3.152 5.890 10.602 1.00 0.00 H new ATOM 0 HE1 PHE A 114 2.099 2.411 7.287 1.00 0.00 H new ATOM 0 HE2 PHE A 114 1.482 6.328 8.853 1.00 0.00 H new ATOM 0 HZ PHE A 114 0.949 4.586 7.195 1.00 0.00 H new ATOM 1775 N SER A 115 3.121 4.041 14.093 1.00 0.00 N ATOM 1776 CA SER A 115 2.103 4.780 14.833 1.00 0.00 C ATOM 1777 C SER A 115 2.286 6.284 14.666 1.00 0.00 C ATOM 1778 O SER A 115 3.388 6.809 14.825 1.00 0.00 O ATOM 1779 CB SER A 115 2.155 4.413 16.318 1.00 0.00 C ATOM 1780 OG SER A 115 1.077 4.998 17.026 1.00 0.00 O ATOM 0 H SER A 115 3.987 3.884 14.609 1.00 0.00 H new ATOM 0 HA SER A 115 1.129 4.505 14.428 1.00 0.00 H new ATOM 0 HB2 SER A 115 2.122 3.329 16.429 1.00 0.00 H new ATOM 0 HB3 SER A 115 3.100 4.748 16.746 1.00 0.00 H new ATOM 0 HG SER A 115 0.348 5.201 16.403 1.00 0.00 H new ATOM 1786 N ILE A 116 1.195 6.974 14.346 1.00 0.00 N ATOM 1787 CA ILE A 116 1.231 8.420 14.162 1.00 0.00 C ATOM 1788 C ILE A 116 0.772 9.139 15.426 1.00 0.00 C ATOM 1789 O ILE A 116 0.111 8.549 16.280 1.00 0.00 O ATOM 1790 CB ILE A 116 0.340 8.861 12.984 1.00 0.00 C ATOM 1791 CG1 ILE A 116 0.549 7.939 11.780 1.00 0.00 C ATOM 1792 CG2 ILE A 116 0.634 10.305 12.608 1.00 0.00 C ATOM 1793 CD1 ILE A 116 -0.419 8.199 10.646 1.00 0.00 C ATOM 0 H ILE A 116 0.275 6.554 14.209 1.00 0.00 H new ATOM 0 HA ILE A 116 2.265 8.688 13.944 1.00 0.00 H new ATOM 0 HB ILE A 116 -0.703 8.791 13.294 1.00 0.00 H new ATOM 0 HG12 ILE A 116 1.568 8.060 11.412 1.00 0.00 H new ATOM 0 HG13 ILE A 116 0.448 6.903 12.104 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -0.003 10.601 11.775 1.00 0.00 H new ATOM 0 HG22 ILE A 116 0.436 10.951 13.463 1.00 0.00 H new ATOM 0 HG23 ILE A 116 1.680 10.399 12.316 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -0.213 7.510 9.827 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -1.440 8.050 10.998 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -0.302 9.225 10.296 1.00 0.00 H new ATOM 1805 N SER A 117 1.123 10.415 15.540 1.00 0.00 N ATOM 1806 CA SER A 117 0.742 11.209 16.703 1.00 0.00 C ATOM 1807 C SER A 117 1.122 12.673 16.516 1.00 0.00 C ATOM 1808 O SER A 117 2.264 12.991 16.186 1.00 0.00 O ATOM 1809 CB SER A 117 1.410 10.656 17.963 1.00 0.00 C ATOM 1810 OG SER A 117 2.818 10.783 17.891 1.00 0.00 O ATOM 0 H SER A 117 1.670 10.921 14.843 1.00 0.00 H new ATOM 0 HA SER A 117 -0.341 11.146 16.813 1.00 0.00 H new ATOM 0 HB2 SER A 117 1.038 11.188 18.839 1.00 0.00 H new ATOM 0 HB3 SER A 117 1.142 9.607 18.090 1.00 0.00 H new ATOM 0 HG SER A 117 3.050 11.498 17.263 1.00 0.00 H new ATOM 1816 N MET A 118 0.157 13.561 16.730 1.00 0.00 N ATOM 1817 CA MET A 118 0.392 14.993 16.586 1.00 0.00 C ATOM 1818 C MET A 118 0.604 15.646 17.951 1.00 0.00 C ATOM 1819 O MET A 118 -0.212 15.478 18.858 1.00 0.00 O ATOM 1820 CB MET A 118 -0.788 15.654 15.870 1.00 0.00 C ATOM 1821 CG MET A 118 -1.200 14.943 14.591 1.00 0.00 C ATOM 1822 SD MET A 118 -2.926 14.415 14.609 1.00 0.00 S ATOM 1823 CE MET A 118 -3.760 15.983 14.379 1.00 0.00 C ATOM 0 H MET A 118 -0.794 13.315 17.003 1.00 0.00 H new ATOM 0 HA MET A 118 1.294 15.132 15.990 1.00 0.00 H new ATOM 0 HB2 MET A 118 -1.641 15.688 16.548 1.00 0.00 H new ATOM 0 HB3 MET A 118 -0.527 16.686 15.634 1.00 0.00 H new ATOM 0 HG2 MET A 118 -1.037 15.608 13.743 1.00 0.00 H new ATOM 0 HG3 MET A 118 -0.560 14.073 14.442 1.00 0.00 H new ATOM 0 HE1 MET A 118 -4.836 15.840 14.474 1.00 0.00 H new ATOM 0 HE2 MET A 118 -3.420 16.691 15.135 1.00 0.00 H new ATOM 0 HE3 MET A 118 -3.532 16.374 13.387 1.00 0.00 H new ATOM 1833 N PRO A 119 1.705 16.399 18.121 1.00 0.00 N ATOM 1834 CA PRO A 119 2.016 17.071 19.381 1.00 0.00 C ATOM 1835 C PRO A 119 1.319 18.421 19.516 1.00 0.00 C ATOM 1836 O PRO A 119 1.944 19.421 19.866 1.00 0.00 O ATOM 1837 CB PRO A 119 3.526 17.258 19.294 1.00 0.00 C ATOM 1838 CG PRO A 119 3.795 17.446 17.838 1.00 0.00 C ATOM 1839 CD PRO A 119 2.741 16.655 17.099 1.00 0.00 C ATOM 0 HA PRO A 119 1.681 16.500 20.247 1.00 0.00 H new ATOM 0 HB2 PRO A 119 3.853 18.122 19.873 1.00 0.00 H new ATOM 0 HB3 PRO A 119 4.057 16.391 19.687 1.00 0.00 H new ATOM 0 HG2 PRO A 119 3.748 18.501 17.568 1.00 0.00 H new ATOM 0 HG3 PRO A 119 4.794 17.095 17.580 1.00 0.00 H new ATOM 0 HD2 PRO A 119 2.339 17.216 16.255 1.00 0.00 H new ATOM 0 HD3 PRO A 119 3.146 15.725 16.700 1.00 0.00 H new ATOM 1847 N SER A 120 0.017 18.446 19.238 1.00 0.00 N ATOM 1848 CA SER A 120 -0.761 19.676 19.331 1.00 0.00 C ATOM 1849 C SER A 120 -2.209 19.439 18.908 1.00 0.00 C ATOM 1850 O SER A 120 -2.818 20.279 18.244 1.00 0.00 O ATOM 1851 CB SER A 120 -0.137 20.769 18.460 1.00 0.00 C ATOM 1852 OG SER A 120 0.813 21.524 19.192 1.00 0.00 O ATOM 0 H SER A 120 -0.519 17.629 18.947 1.00 0.00 H new ATOM 0 HA SER A 120 -0.753 20.001 20.371 1.00 0.00 H new ATOM 0 HB2 SER A 120 0.344 20.317 17.592 1.00 0.00 H new ATOM 0 HB3 SER A 120 -0.919 21.429 18.084 1.00 0.00 H new ATOM 0 HG SER A 120 1.621 20.987 19.331 1.00 0.00 H new ATOM 1858 N VAL A 121 -2.756 18.292 19.296 1.00 0.00 N ATOM 1859 CA VAL A 121 -4.132 17.951 18.957 1.00 0.00 C ATOM 1860 C VAL A 121 -4.895 17.462 20.185 1.00 0.00 C ATOM 1861 O VAL A 121 -5.995 17.932 20.473 1.00 0.00 O ATOM 1862 CB VAL A 121 -4.188 16.888 17.833 1.00 0.00 C ATOM 1863 CG1 VAL A 121 -3.992 15.475 18.368 1.00 0.00 C ATOM 1864 CG2 VAL A 121 -5.495 16.996 17.063 1.00 0.00 C ATOM 0 H VAL A 121 -2.268 17.584 19.845 1.00 0.00 H new ATOM 0 HA VAL A 121 -4.611 18.859 18.592 1.00 0.00 H new ATOM 0 HB VAL A 121 -3.361 17.090 17.153 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -4.039 14.764 17.543 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -3.020 15.402 18.855 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -4.777 15.247 19.089 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -5.517 16.241 16.277 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -6.332 16.837 17.743 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -5.574 17.987 16.617 1.00 0.00 H new ATOM 1874 N ALA A 122 -4.294 16.520 20.904 1.00 0.00 N ATOM 1875 CA ALA A 122 -4.900 15.956 22.111 1.00 0.00 C ATOM 1876 C ALA A 122 -4.195 14.669 22.533 1.00 0.00 C ATOM 1877 O ALA A 122 -4.838 13.705 22.951 1.00 0.00 O ATOM 1878 CB ALA A 122 -6.387 15.692 21.898 1.00 0.00 C ATOM 0 H ALA A 122 -3.382 16.127 20.672 1.00 0.00 H new ATOM 0 HA ALA A 122 -4.785 16.688 22.910 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -6.816 15.273 22.808 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -6.892 16.627 21.656 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -6.517 14.987 21.077 1.00 0.00 H new ATOM 1884 N GLN A 123 -2.869 14.657 22.423 1.00 0.00 N ATOM 1885 CA GLN A 123 -2.080 13.486 22.795 1.00 0.00 C ATOM 1886 C GLN A 123 -2.619 12.224 22.127 1.00 0.00 C ATOM 1887 O GLN A 123 -2.540 11.131 22.689 1.00 0.00 O ATOM 1888 CB GLN A 123 -2.076 13.310 24.315 1.00 0.00 C ATOM 1889 CG GLN A 123 -1.780 14.591 25.076 1.00 0.00 C ATOM 1890 CD GLN A 123 -0.294 14.819 25.278 1.00 0.00 C ATOM 1891 OE1 GLN A 123 0.414 15.227 24.356 1.00 0.00 O ATOM 1892 NE2 GLN A 123 0.186 14.558 26.488 1.00 0.00 N ATOM 0 H GLN A 123 -2.319 15.444 22.080 1.00 0.00 H new ATOM 0 HA GLN A 123 -1.059 13.646 22.450 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -3.046 12.926 24.630 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -1.334 12.558 24.583 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -2.203 15.437 24.535 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -2.274 14.555 26.047 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -0.437 14.222 27.222 1.00 0.00 H new ATOM 0 HE22 GLN A 123 1.178 14.694 26.683 1.00 0.00 H new ATOM 1901 N TRP A 124 -3.167 12.382 20.927 1.00 0.00 N ATOM 1902 CA TRP A 124 -3.720 11.253 20.185 1.00 0.00 C ATOM 1903 C TRP A 124 -2.611 10.321 19.706 1.00 0.00 C ATOM 1904 O TRP A 124 -1.426 10.639 19.820 1.00 0.00 O ATOM 1905 CB TRP A 124 -4.537 11.751 18.991 1.00 0.00 C ATOM 1906 CG TRP A 124 -6.001 11.872 19.283 1.00 0.00 C ATOM 1907 CD1 TRP A 124 -6.687 13.016 19.576 1.00 0.00 C ATOM 1908 CD2 TRP A 124 -6.962 10.810 19.310 1.00 0.00 C ATOM 1909 NE1 TRP A 124 -8.013 12.731 19.785 1.00 0.00 N ATOM 1910 CE2 TRP A 124 -8.209 11.383 19.626 1.00 0.00 C ATOM 1911 CE3 TRP A 124 -6.890 9.431 19.096 1.00 0.00 C ATOM 1912 CZ2 TRP A 124 -9.371 10.625 19.735 1.00 0.00 C ATOM 1913 CZ3 TRP A 124 -8.044 8.678 19.204 1.00 0.00 C ATOM 1914 CH2 TRP A 124 -9.271 9.276 19.520 1.00 0.00 C ATOM 0 H TRP A 124 -3.240 13.279 20.447 1.00 0.00 H new ATOM 0 HA TRP A 124 -4.374 10.695 20.855 1.00 0.00 H new ATOM 0 HB2 TRP A 124 -4.155 12.723 18.678 1.00 0.00 H new ATOM 0 HB3 TRP A 124 -4.396 11.068 18.153 1.00 0.00 H new ATOM 0 HD1 TRP A 124 -6.250 14.002 19.635 1.00 0.00 H new ATOM 0 HE1 TRP A 124 -8.736 13.411 20.020 1.00 0.00 H new ATOM 0 HE3 TRP A 124 -5.949 8.962 18.850 1.00 0.00 H new ATOM 0 HZ2 TRP A 124 -10.317 11.084 19.980 1.00 0.00 H new ATOM 0 HZ3 TRP A 124 -7.999 7.611 19.042 1.00 0.00 H new ATOM 0 HH2 TRP A 124 -10.156 8.661 19.596 1.00 0.00 H new ATOM 1925 N SER A 125 -3.003 9.171 19.170 1.00 0.00 N ATOM 1926 CA SER A 125 -2.043 8.193 18.674 1.00 0.00 C ATOM 1927 C SER A 125 -2.694 7.256 17.662 1.00 0.00 C ATOM 1928 O SER A 125 -3.539 6.433 18.016 1.00 0.00 O ATOM 1929 CB SER A 125 -1.462 7.383 19.835 1.00 0.00 C ATOM 1930 OG SER A 125 -2.484 6.720 20.558 1.00 0.00 O ATOM 0 H SER A 125 -3.979 8.893 19.068 1.00 0.00 H new ATOM 0 HA SER A 125 -1.237 8.733 18.177 1.00 0.00 H new ATOM 0 HB2 SER A 125 -0.751 6.651 19.452 1.00 0.00 H new ATOM 0 HB3 SER A 125 -0.910 8.044 20.503 1.00 0.00 H new ATOM 0 HG SER A 125 -3.167 6.394 19.935 1.00 0.00 H new ATOM 1936 N LEU A 126 -2.296 7.386 16.401 1.00 0.00 N ATOM 1937 CA LEU A 126 -2.840 6.551 15.336 1.00 0.00 C ATOM 1938 C LEU A 126 -1.885 5.412 14.997 1.00 0.00 C ATOM 1939 O LEU A 126 -0.701 5.459 15.334 1.00 0.00 O ATOM 1940 CB LEU A 126 -3.112 7.393 14.089 1.00 0.00 C ATOM 1941 CG LEU A 126 -4.362 6.997 13.301 1.00 0.00 C ATOM 1942 CD1 LEU A 126 -5.618 7.323 14.095 1.00 0.00 C ATOM 1943 CD2 LEU A 126 -4.384 7.697 11.951 1.00 0.00 C ATOM 0 H LEU A 126 -1.598 8.062 16.091 1.00 0.00 H new ATOM 0 HA LEU A 126 -3.778 6.122 15.687 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -3.205 8.437 14.387 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -2.248 7.326 13.428 1.00 0.00 H new ATOM 0 HG LEU A 126 -4.335 5.921 13.129 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -6.497 7.035 13.519 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -5.605 6.775 15.037 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -5.652 8.393 14.298 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -5.280 7.404 11.404 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -4.387 8.777 12.101 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -3.500 7.413 11.379 1.00 0.00 H new ATOM 1955 N ASP A 127 -2.405 4.389 14.328 1.00 0.00 N ATOM 1956 CA ASP A 127 -1.599 3.237 13.943 1.00 0.00 C ATOM 1957 C ASP A 127 -1.967 2.758 12.543 1.00 0.00 C ATOM 1958 O ASP A 127 -3.143 2.578 12.225 1.00 0.00 O ATOM 1959 CB ASP A 127 -1.784 2.097 14.946 1.00 0.00 C ATOM 1960 CG ASP A 127 -1.329 2.479 16.343 1.00 0.00 C ATOM 1961 OD1 ASP A 127 -1.948 3.384 16.942 1.00 0.00 O ATOM 1962 OD2 ASP A 127 -0.357 1.872 16.837 1.00 0.00 O ATOM 0 H ASP A 127 -3.382 4.334 14.041 1.00 0.00 H new ATOM 0 HA ASP A 127 -0.553 3.545 13.941 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -2.835 1.808 14.975 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -1.223 1.225 14.609 1.00 0.00 H new ATOM 1967 N VAL A 128 -0.954 2.558 11.707 1.00 0.00 N ATOM 1968 CA VAL A 128 -1.169 2.101 10.340 1.00 0.00 C ATOM 1969 C VAL A 128 -0.052 1.160 9.898 1.00 0.00 C ATOM 1970 O VAL A 128 1.097 1.307 10.313 1.00 0.00 O ATOM 1971 CB VAL A 128 -1.251 3.286 9.359 1.00 0.00 C ATOM 1972 CG1 VAL A 128 -1.603 2.803 7.959 1.00 0.00 C ATOM 1973 CG2 VAL A 128 -2.261 4.312 9.848 1.00 0.00 C ATOM 0 H VAL A 128 0.025 2.706 11.953 1.00 0.00 H new ATOM 0 HA VAL A 128 -2.118 1.565 10.327 1.00 0.00 H new ATOM 0 HB VAL A 128 -0.273 3.764 9.314 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -1.656 3.656 7.282 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -0.838 2.110 7.610 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -2.568 2.297 7.981 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -2.306 5.142 9.143 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -3.244 3.847 9.925 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -1.958 4.683 10.827 1.00 0.00 H new ATOM 1983 N ALA A 129 -0.398 0.191 9.057 1.00 0.00 N ATOM 1984 CA ALA A 129 0.577 -0.773 8.563 1.00 0.00 C ATOM 1985 C ALA A 129 0.357 -1.073 7.085 1.00 0.00 C ATOM 1986 O ALA A 129 -0.769 -1.310 6.649 1.00 0.00 O ATOM 1987 CB ALA A 129 0.509 -2.054 9.381 1.00 0.00 C ATOM 0 H ALA A 129 -1.345 0.053 8.704 1.00 0.00 H new ATOM 0 HA ALA A 129 1.570 -0.336 8.671 1.00 0.00 H new ATOM 0 HB1 ALA A 129 1.242 -2.767 9.003 1.00 0.00 H new ATOM 0 HB2 ALA A 129 0.726 -1.831 10.426 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -0.490 -2.484 9.302 1.00 0.00 H new ATOM 1993 N ALA A 130 1.444 -1.068 6.318 1.00 0.00 N ATOM 1994 CA ALA A 130 1.374 -1.345 4.889 1.00 0.00 C ATOM 1995 C ALA A 130 1.847 -2.764 4.587 1.00 0.00 C ATOM 1996 O ALA A 130 2.865 -3.213 5.113 1.00 0.00 O ATOM 1997 CB ALA A 130 2.202 -0.328 4.113 1.00 0.00 C ATOM 0 H ALA A 130 2.384 -0.875 6.664 1.00 0.00 H new ATOM 0 HA ALA A 130 0.334 -1.261 4.574 1.00 0.00 H new ATOM 0 HB1 ALA A 130 2.141 -0.547 3.047 1.00 0.00 H new ATOM 0 HB2 ALA A 130 1.817 0.674 4.301 1.00 0.00 H new ATOM 0 HB3 ALA A 130 3.242 -0.383 4.436 1.00 0.00 H new ATOM 2003 N ASP A 131 1.098 -3.467 3.743 1.00 0.00 N ATOM 2004 CA ASP A 131 1.438 -4.840 3.374 1.00 0.00 C ATOM 2005 C ASP A 131 2.890 -4.949 2.921 1.00 0.00 C ATOM 2006 O ASP A 131 3.628 -5.829 3.365 1.00 0.00 O ATOM 2007 CB ASP A 131 0.506 -5.336 2.266 1.00 0.00 C ATOM 2008 CG ASP A 131 -0.956 -5.183 2.630 1.00 0.00 C ATOM 2009 OD1 ASP A 131 -1.360 -4.063 3.013 1.00 0.00 O ATOM 2010 OD2 ASP A 131 -1.701 -6.181 2.534 1.00 0.00 O ATOM 0 H ASP A 131 0.251 -3.110 3.301 1.00 0.00 H new ATOM 0 HA ASP A 131 1.311 -5.465 4.258 1.00 0.00 H new ATOM 0 HB2 ASP A 131 0.709 -4.783 1.349 1.00 0.00 H new ATOM 0 HB3 ASP A 131 0.718 -6.385 2.059 1.00 0.00 H new ATOM 2015 N SER A 132 3.292 -4.045 2.039 1.00 0.00 N ATOM 2016 CA SER A 132 4.656 -4.027 1.522 1.00 0.00 C ATOM 2017 C SER A 132 5.567 -3.207 2.423 1.00 0.00 C ATOM 2018 O SER A 132 5.376 -2.002 2.584 1.00 0.00 O ATOM 2019 CB SER A 132 4.678 -3.461 0.101 1.00 0.00 C ATOM 2020 OG SER A 132 5.726 -4.034 -0.660 1.00 0.00 O ATOM 0 H SER A 132 2.691 -3.311 1.664 1.00 0.00 H new ATOM 0 HA SER A 132 5.024 -5.053 1.502 1.00 0.00 H new ATOM 0 HB2 SER A 132 3.722 -3.655 -0.386 1.00 0.00 H new ATOM 0 HB3 SER A 132 4.802 -2.379 0.139 1.00 0.00 H new ATOM 0 HG SER A 132 5.717 -3.657 -1.565 1.00 0.00 H new ATOM 2026 N GLN A 133 6.567 -3.869 3.000 1.00 0.00 N ATOM 2027 CA GLN A 133 7.521 -3.199 3.878 1.00 0.00 C ATOM 2028 C GLN A 133 8.028 -1.916 3.229 1.00 0.00 C ATOM 2029 O GLN A 133 8.399 -0.961 3.915 1.00 0.00 O ATOM 2030 CB GLN A 133 8.697 -4.125 4.189 1.00 0.00 C ATOM 2031 CG GLN A 133 8.275 -5.511 4.647 1.00 0.00 C ATOM 2032 CD GLN A 133 8.869 -6.614 3.791 1.00 0.00 C ATOM 2033 OE1 GLN A 133 8.471 -6.807 2.642 1.00 0.00 O ATOM 2034 NE2 GLN A 133 9.827 -7.346 4.350 1.00 0.00 N ATOM 0 H GLN A 133 6.737 -4.867 2.875 1.00 0.00 H new ATOM 0 HA GLN A 133 7.014 -2.947 4.810 1.00 0.00 H new ATOM 0 HB2 GLN A 133 9.320 -4.219 3.299 1.00 0.00 H new ATOM 0 HB3 GLN A 133 9.314 -3.668 4.963 1.00 0.00 H new ATOM 0 HG2 GLN A 133 8.580 -5.656 5.683 1.00 0.00 H new ATOM 0 HG3 GLN A 133 7.188 -5.582 4.622 1.00 0.00 H new ATOM 0 HE21 GLN A 133 10.126 -7.151 5.305 1.00 0.00 H new ATOM 0 HE22 GLN A 133 10.263 -8.103 3.824 1.00 0.00 H new ATOM 2043 N GLU A 134 8.035 -1.900 1.899 1.00 0.00 N ATOM 2044 CA GLU A 134 8.488 -0.735 1.153 1.00 0.00 C ATOM 2045 C GLU A 134 7.432 0.361 1.182 1.00 0.00 C ATOM 2046 O GLU A 134 7.745 1.535 1.367 1.00 0.00 O ATOM 2047 CB GLU A 134 8.814 -1.119 -0.294 1.00 0.00 C ATOM 2048 CG GLU A 134 10.129 -0.546 -0.793 1.00 0.00 C ATOM 2049 CD GLU A 134 9.948 0.753 -1.554 1.00 0.00 C ATOM 2050 OE1 GLU A 134 9.657 1.783 -0.911 1.00 0.00 O ATOM 2051 OE2 GLU A 134 10.097 0.740 -2.794 1.00 0.00 O ATOM 0 H GLU A 134 7.732 -2.681 1.318 1.00 0.00 H new ATOM 0 HA GLU A 134 9.394 -0.356 1.625 1.00 0.00 H new ATOM 0 HB2 GLU A 134 8.847 -2.206 -0.374 1.00 0.00 H new ATOM 0 HB3 GLU A 134 8.008 -0.776 -0.943 1.00 0.00 H new ATOM 0 HG2 GLU A 134 10.792 -0.376 0.055 1.00 0.00 H new ATOM 0 HG3 GLU A 134 10.617 -1.276 -1.439 1.00 0.00 H new ATOM 2058 N GLU A 135 6.178 -0.038 1.009 1.00 0.00 N ATOM 2059 CA GLU A 135 5.071 0.907 1.029 1.00 0.00 C ATOM 2060 C GLU A 135 4.947 1.537 2.410 1.00 0.00 C ATOM 2061 O GLU A 135 4.587 2.706 2.541 1.00 0.00 O ATOM 2062 CB GLU A 135 3.763 0.211 0.649 1.00 0.00 C ATOM 2063 CG GLU A 135 3.401 0.357 -0.820 1.00 0.00 C ATOM 2064 CD GLU A 135 2.174 -0.449 -1.200 1.00 0.00 C ATOM 2065 OE1 GLU A 135 2.266 -1.694 -1.227 1.00 0.00 O ATOM 2066 OE2 GLU A 135 1.120 0.165 -1.470 1.00 0.00 O ATOM 0 H GLU A 135 5.904 -1.008 0.854 1.00 0.00 H new ATOM 0 HA GLU A 135 5.271 1.690 0.298 1.00 0.00 H new ATOM 0 HB2 GLU A 135 3.841 -0.849 0.892 1.00 0.00 H new ATOM 0 HB3 GLU A 135 2.955 0.618 1.256 1.00 0.00 H new ATOM 0 HG2 GLU A 135 3.224 1.409 -1.044 1.00 0.00 H new ATOM 0 HG3 GLU A 135 4.245 0.038 -1.432 1.00 0.00 H new ATOM 2073 N LEU A 136 5.257 0.752 3.438 1.00 0.00 N ATOM 2074 CA LEU A 136 5.191 1.229 4.813 1.00 0.00 C ATOM 2075 C LEU A 136 6.244 2.298 5.058 1.00 0.00 C ATOM 2076 O LEU A 136 5.937 3.392 5.533 1.00 0.00 O ATOM 2077 CB LEU A 136 5.386 0.067 5.789 1.00 0.00 C ATOM 2078 CG LEU A 136 5.287 0.442 7.270 1.00 0.00 C ATOM 2079 CD1 LEU A 136 4.642 -0.685 8.064 1.00 0.00 C ATOM 2080 CD2 LEU A 136 6.664 0.771 7.827 1.00 0.00 C ATOM 0 H LEU A 136 5.557 -0.218 3.343 1.00 0.00 H new ATOM 0 HA LEU A 136 4.206 1.666 4.978 1.00 0.00 H new ATOM 0 HB2 LEU A 136 4.640 -0.698 5.573 1.00 0.00 H new ATOM 0 HB3 LEU A 136 6.363 -0.380 5.607 1.00 0.00 H new ATOM 0 HG LEU A 136 4.658 1.328 7.362 1.00 0.00 H new ATOM 0 HD11 LEU A 136 4.580 -0.401 9.114 1.00 0.00 H new ATOM 0 HD12 LEU A 136 3.640 -0.874 7.679 1.00 0.00 H new ATOM 0 HD13 LEU A 136 5.244 -1.589 7.968 1.00 0.00 H new ATOM 0 HD21 LEU A 136 6.577 1.036 8.881 1.00 0.00 H new ATOM 0 HD22 LEU A 136 7.315 -0.097 7.724 1.00 0.00 H new ATOM 0 HD23 LEU A 136 7.088 1.610 7.276 1.00 0.00 H new ATOM 2092 N GLN A 137 7.486 1.978 4.720 1.00 0.00 N ATOM 2093 CA GLN A 137 8.588 2.917 4.895 1.00 0.00 C ATOM 2094 C GLN A 137 8.425 4.104 3.956 1.00 0.00 C ATOM 2095 O GLN A 137 8.730 5.243 4.315 1.00 0.00 O ATOM 2096 CB GLN A 137 9.928 2.223 4.636 1.00 0.00 C ATOM 2097 CG GLN A 137 10.167 1.011 5.523 1.00 0.00 C ATOM 2098 CD GLN A 137 10.975 1.345 6.761 1.00 0.00 C ATOM 2099 OE1 GLN A 137 12.156 1.681 6.674 1.00 0.00 O ATOM 2100 NE2 GLN A 137 10.340 1.252 7.924 1.00 0.00 N ATOM 0 H GLN A 137 7.756 1.078 4.324 1.00 0.00 H new ATOM 0 HA GLN A 137 8.574 3.277 5.924 1.00 0.00 H new ATOM 0 HB2 GLN A 137 9.971 1.913 3.592 1.00 0.00 H new ATOM 0 HB3 GLN A 137 10.735 2.940 4.789 1.00 0.00 H new ATOM 0 HG2 GLN A 137 9.207 0.590 5.823 1.00 0.00 H new ATOM 0 HG3 GLN A 137 10.687 0.243 4.950 1.00 0.00 H new ATOM 0 HE21 GLN A 137 9.360 0.970 7.949 1.00 0.00 H new ATOM 0 HE22 GLN A 137 10.832 1.463 8.792 1.00 0.00 H new ATOM 2109 N ASP A 138 7.931 3.831 2.755 1.00 0.00 N ATOM 2110 CA ASP A 138 7.715 4.874 1.764 1.00 0.00 C ATOM 2111 C ASP A 138 6.566 5.782 2.187 1.00 0.00 C ATOM 2112 O ASP A 138 6.563 6.976 1.886 1.00 0.00 O ATOM 2113 CB ASP A 138 7.419 4.259 0.395 1.00 0.00 C ATOM 2114 CG ASP A 138 7.598 5.251 -0.738 1.00 0.00 C ATOM 2115 OD1 ASP A 138 7.158 6.409 -0.587 1.00 0.00 O ATOM 2116 OD2 ASP A 138 8.182 4.869 -1.773 1.00 0.00 O ATOM 0 H ASP A 138 7.672 2.894 2.445 1.00 0.00 H new ATOM 0 HA ASP A 138 8.625 5.470 1.691 1.00 0.00 H new ATOM 0 HB2 ASP A 138 8.077 3.405 0.234 1.00 0.00 H new ATOM 0 HB3 ASP A 138 6.397 3.880 0.384 1.00 0.00 H new ATOM 2121 N TRP A 139 5.595 5.211 2.894 1.00 0.00 N ATOM 2122 CA TRP A 139 4.450 5.978 3.362 1.00 0.00 C ATOM 2123 C TRP A 139 4.880 6.987 4.417 1.00 0.00 C ATOM 2124 O TRP A 139 4.479 8.149 4.383 1.00 0.00 O ATOM 2125 CB TRP A 139 3.366 5.055 3.925 1.00 0.00 C ATOM 2126 CG TRP A 139 2.150 4.996 3.057 1.00 0.00 C ATOM 2127 CD1 TRP A 139 2.082 4.516 1.782 1.00 0.00 C ATOM 2128 CD2 TRP A 139 0.832 5.444 3.391 1.00 0.00 C ATOM 2129 NE1 TRP A 139 0.800 4.638 1.301 1.00 0.00 N ATOM 2130 CE2 TRP A 139 0.015 5.205 2.270 1.00 0.00 C ATOM 2131 CE3 TRP A 139 0.263 6.023 4.528 1.00 0.00 C ATOM 2132 CZ2 TRP A 139 -1.342 5.528 2.256 1.00 0.00 C ATOM 2133 CZ3 TRP A 139 -1.081 6.344 4.512 1.00 0.00 C ATOM 2134 CH2 TRP A 139 -1.869 6.096 3.383 1.00 0.00 C ATOM 0 H TRP A 139 5.580 4.225 3.153 1.00 0.00 H new ATOM 0 HA TRP A 139 4.034 6.516 2.510 1.00 0.00 H new ATOM 0 HB2 TRP A 139 3.774 4.051 4.041 1.00 0.00 H new ATOM 0 HB3 TRP A 139 3.081 5.400 4.919 1.00 0.00 H new ATOM 0 HD1 TRP A 139 2.913 4.101 1.231 1.00 0.00 H new ATOM 0 HE1 TRP A 139 0.485 4.353 0.374 1.00 0.00 H new ATOM 0 HE3 TRP A 139 0.863 6.216 5.405 1.00 0.00 H new ATOM 0 HZ2 TRP A 139 -1.954 5.337 1.387 1.00 0.00 H new ATOM 0 HZ3 TRP A 139 -1.530 6.794 5.385 1.00 0.00 H new ATOM 0 HH2 TRP A 139 -2.916 6.359 3.402 1.00 0.00 H new ATOM 2145 N VAL A 140 5.708 6.534 5.350 1.00 0.00 N ATOM 2146 CA VAL A 140 6.202 7.396 6.414 1.00 0.00 C ATOM 2147 C VAL A 140 7.007 8.555 5.839 1.00 0.00 C ATOM 2148 O VAL A 140 6.836 9.708 6.238 1.00 0.00 O ATOM 2149 CB VAL A 140 7.081 6.618 7.412 1.00 0.00 C ATOM 2150 CG1 VAL A 140 7.441 7.492 8.604 1.00 0.00 C ATOM 2151 CG2 VAL A 140 6.375 5.348 7.865 1.00 0.00 C ATOM 0 H VAL A 140 6.051 5.574 5.391 1.00 0.00 H new ATOM 0 HA VAL A 140 5.330 7.782 6.943 1.00 0.00 H new ATOM 0 HB VAL A 140 8.006 6.334 6.910 1.00 0.00 H new ATOM 0 HG11 VAL A 140 8.062 6.924 9.297 1.00 0.00 H new ATOM 0 HG12 VAL A 140 7.990 8.369 8.260 1.00 0.00 H new ATOM 0 HG13 VAL A 140 6.530 7.810 9.110 1.00 0.00 H new ATOM 0 HG21 VAL A 140 7.010 4.810 8.570 1.00 0.00 H new ATOM 0 HG22 VAL A 140 5.434 5.608 8.350 1.00 0.00 H new ATOM 0 HG23 VAL A 140 6.175 4.715 7.001 1.00 0.00 H new ATOM 2161 N LYS A 141 7.882 8.237 4.892 1.00 0.00 N ATOM 2162 CA LYS A 141 8.714 9.249 4.253 1.00 0.00 C ATOM 2163 C LYS A 141 7.850 10.284 3.542 1.00 0.00 C ATOM 2164 O LYS A 141 8.175 11.471 3.522 1.00 0.00 O ATOM 2165 CB LYS A 141 9.678 8.598 3.260 1.00 0.00 C ATOM 2166 CG LYS A 141 10.794 9.521 2.802 1.00 0.00 C ATOM 2167 CD LYS A 141 12.110 8.774 2.652 1.00 0.00 C ATOM 2168 CE LYS A 141 12.764 8.527 4.001 1.00 0.00 C ATOM 2169 NZ LYS A 141 13.918 7.591 3.896 1.00 0.00 N ATOM 0 H LYS A 141 8.033 7.288 4.550 1.00 0.00 H new ATOM 0 HA LYS A 141 9.294 9.753 5.027 1.00 0.00 H new ATOM 0 HB2 LYS A 141 10.116 7.712 3.719 1.00 0.00 H new ATOM 0 HB3 LYS A 141 9.116 8.261 2.389 1.00 0.00 H new ATOM 0 HG2 LYS A 141 10.523 9.977 1.850 1.00 0.00 H new ATOM 0 HG3 LYS A 141 10.915 10.332 3.520 1.00 0.00 H new ATOM 0 HD2 LYS A 141 11.935 7.822 2.151 1.00 0.00 H new ATOM 0 HD3 LYS A 141 12.786 9.348 2.018 1.00 0.00 H new ATOM 0 HE2 LYS A 141 13.102 9.475 4.419 1.00 0.00 H new ATOM 0 HE3 LYS A 141 12.027 8.118 4.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 14.336 7.449 4.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 13.591 6.678 3.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 14.633 7.992 3.256 1.00 0.00 H new ATOM 2183 N LYS A 142 6.745 9.826 2.962 1.00 0.00 N ATOM 2184 CA LYS A 142 5.834 10.716 2.255 1.00 0.00 C ATOM 2185 C LYS A 142 5.184 11.690 3.228 1.00 0.00 C ATOM 2186 O LYS A 142 5.192 12.899 3.002 1.00 0.00 O ATOM 2187 CB LYS A 142 4.765 9.910 1.513 1.00 0.00 C ATOM 2188 CG LYS A 142 4.738 10.170 0.014 1.00 0.00 C ATOM 2189 CD LYS A 142 5.389 9.036 -0.761 1.00 0.00 C ATOM 2190 CE LYS A 142 6.098 9.547 -2.006 1.00 0.00 C ATOM 2191 NZ LYS A 142 7.571 9.644 -1.806 1.00 0.00 N ATOM 0 H LYS A 142 6.460 8.847 2.968 1.00 0.00 H new ATOM 0 HA LYS A 142 6.406 11.286 1.523 1.00 0.00 H new ATOM 0 HB2 LYS A 142 4.937 8.848 1.686 1.00 0.00 H new ATOM 0 HB3 LYS A 142 3.787 10.147 1.932 1.00 0.00 H new ATOM 0 HG2 LYS A 142 3.707 10.292 -0.316 1.00 0.00 H new ATOM 0 HG3 LYS A 142 5.255 11.104 -0.203 1.00 0.00 H new ATOM 0 HD2 LYS A 142 6.104 8.519 -0.120 1.00 0.00 H new ATOM 0 HD3 LYS A 142 4.631 8.307 -1.046 1.00 0.00 H new ATOM 0 HE2 LYS A 142 5.888 8.880 -2.843 1.00 0.00 H new ATOM 0 HE3 LYS A 142 5.702 10.527 -2.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 8.051 9.576 -2.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 7.802 10.556 -1.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 7.890 8.868 -1.191 1.00 0.00 H new ATOM 2205 N ILE A 143 4.638 11.163 4.319 1.00 0.00 N ATOM 2206 CA ILE A 143 4.010 12.003 5.330 1.00 0.00 C ATOM 2207 C ILE A 143 4.979 13.095 5.762 1.00 0.00 C ATOM 2208 O ILE A 143 4.587 14.236 6.008 1.00 0.00 O ATOM 2209 CB ILE A 143 3.580 11.185 6.565 1.00 0.00 C ATOM 2210 CG1 ILE A 143 2.624 10.064 6.153 1.00 0.00 C ATOM 2211 CG2 ILE A 143 2.929 12.086 7.608 1.00 0.00 C ATOM 2212 CD1 ILE A 143 2.401 9.032 7.236 1.00 0.00 C ATOM 0 H ILE A 143 4.618 10.164 4.524 1.00 0.00 H new ATOM 0 HA ILE A 143 3.117 12.444 4.888 1.00 0.00 H new ATOM 0 HB ILE A 143 4.470 10.738 7.009 1.00 0.00 H new ATOM 0 HG12 ILE A 143 1.665 10.500 5.874 1.00 0.00 H new ATOM 0 HG13 ILE A 143 3.019 9.569 5.266 1.00 0.00 H new ATOM 0 HG21 ILE A 143 2.633 11.489 8.471 1.00 0.00 H new ATOM 0 HG22 ILE A 143 3.639 12.851 7.922 1.00 0.00 H new ATOM 0 HG23 ILE A 143 2.048 12.563 7.178 1.00 0.00 H new ATOM 0 HD11 ILE A 143 1.713 8.268 6.874 1.00 0.00 H new ATOM 0 HD12 ILE A 143 3.352 8.569 7.499 1.00 0.00 H new ATOM 0 HD13 ILE A 143 1.977 9.515 8.117 1.00 0.00 H new ATOM 2224 N ARG A 144 6.254 12.732 5.831 1.00 0.00 N ATOM 2225 CA ARG A 144 7.299 13.670 6.211 1.00 0.00 C ATOM 2226 C ARG A 144 7.664 14.569 5.034 1.00 0.00 C ATOM 2227 O ARG A 144 8.102 15.705 5.222 1.00 0.00 O ATOM 2228 CB ARG A 144 8.537 12.918 6.702 1.00 0.00 C ATOM 2229 CG ARG A 144 8.454 12.495 8.158 1.00 0.00 C ATOM 2230 CD ARG A 144 9.359 11.307 8.447 1.00 0.00 C ATOM 2231 NE ARG A 144 10.702 11.497 7.906 1.00 0.00 N ATOM 2232 CZ ARG A 144 11.595 12.343 8.416 1.00 0.00 C ATOM 2233 NH1 ARG A 144 11.291 13.079 9.479 1.00 0.00 N ATOM 2234 NH2 ARG A 144 12.794 12.455 7.862 1.00 0.00 N ATOM 0 H ARG A 144 6.589 11.790 5.627 1.00 0.00 H new ATOM 0 HA ARG A 144 6.923 14.293 7.022 1.00 0.00 H new ATOM 0 HB2 ARG A 144 8.683 12.033 6.083 1.00 0.00 H new ATOM 0 HB3 ARG A 144 9.414 13.551 6.566 1.00 0.00 H new ATOM 0 HG2 ARG A 144 8.735 13.332 8.797 1.00 0.00 H new ATOM 0 HG3 ARG A 144 7.424 12.237 8.405 1.00 0.00 H new ATOM 0 HD2 ARG A 144 9.421 11.152 9.524 1.00 0.00 H new ATOM 0 HD3 ARG A 144 8.921 10.405 8.020 1.00 0.00 H new ATOM 0 HE ARG A 144 10.972 10.949 7.089 1.00 0.00 H new ATOM 0 HH11 ARG A 144 10.370 12.998 9.909 1.00 0.00 H new ATOM 0 HH12 ARG A 144 11.979 13.725 9.865 1.00 0.00 H new ATOM 0 HH21 ARG A 144 13.033 11.893 7.045 1.00 0.00 H new ATOM 0 HH22 ARG A 144 13.478 13.103 8.253 1.00 0.00 H new ATOM 2248 N GLU A 145 7.475 14.059 3.816 1.00 0.00 N ATOM 2249 CA GLU A 145 7.783 14.828 2.616 1.00 0.00 C ATOM 2250 C GLU A 145 6.742 15.919 2.395 1.00 0.00 C ATOM 2251 O GLU A 145 7.074 17.033 1.989 1.00 0.00 O ATOM 2252 CB GLU A 145 7.853 13.906 1.396 1.00 0.00 C ATOM 2253 CG GLU A 145 9.190 13.953 0.674 1.00 0.00 C ATOM 2254 CD GLU A 145 9.154 13.243 -0.665 1.00 0.00 C ATOM 2255 OE1 GLU A 145 8.750 12.062 -0.700 1.00 0.00 O ATOM 2256 OE2 GLU A 145 9.532 13.869 -1.679 1.00 0.00 O ATOM 0 H GLU A 145 7.112 13.122 3.638 1.00 0.00 H new ATOM 0 HA GLU A 145 8.755 15.302 2.752 1.00 0.00 H new ATOM 0 HB2 GLU A 145 7.657 12.882 1.713 1.00 0.00 H new ATOM 0 HB3 GLU A 145 7.062 14.181 0.698 1.00 0.00 H new ATOM 0 HG2 GLU A 145 9.481 14.993 0.522 1.00 0.00 H new ATOM 0 HG3 GLU A 145 9.955 13.497 1.303 1.00 0.00 H new ATOM 2263 N VAL A 146 5.487 15.595 2.676 1.00 0.00 N ATOM 2264 CA VAL A 146 4.401 16.554 2.520 1.00 0.00 C ATOM 2265 C VAL A 146 4.368 17.510 3.703 1.00 0.00 C ATOM 2266 O VAL A 146 3.982 18.671 3.571 1.00 0.00 O ATOM 2267 CB VAL A 146 3.035 15.852 2.396 1.00 0.00 C ATOM 2268 CG1 VAL A 146 2.913 15.149 1.051 1.00 0.00 C ATOM 2269 CG2 VAL A 146 2.831 14.871 3.540 1.00 0.00 C ATOM 0 H VAL A 146 5.196 14.677 3.013 1.00 0.00 H new ATOM 0 HA VAL A 146 4.587 17.109 1.601 1.00 0.00 H new ATOM 0 HB VAL A 146 2.253 16.609 2.455 1.00 0.00 H new ATOM 0 HG11 VAL A 146 1.941 14.659 0.983 1.00 0.00 H new ATOM 0 HG12 VAL A 146 3.008 15.880 0.248 1.00 0.00 H new ATOM 0 HG13 VAL A 146 3.702 14.403 0.957 1.00 0.00 H new ATOM 0 HG21 VAL A 146 1.861 14.386 3.434 1.00 0.00 H new ATOM 0 HG22 VAL A 146 3.618 14.117 3.518 1.00 0.00 H new ATOM 0 HG23 VAL A 146 2.868 15.406 4.489 1.00 0.00 H new ATOM 2279 N ALA A 147 4.791 17.014 4.861 1.00 0.00 N ATOM 2280 CA ALA A 147 4.827 17.819 6.070 1.00 0.00 C ATOM 2281 C ALA A 147 6.012 18.775 6.036 1.00 0.00 C ATOM 2282 O ALA A 147 5.935 19.897 6.536 1.00 0.00 O ATOM 2283 CB ALA A 147 4.905 16.924 7.295 1.00 0.00 C ATOM 0 H ALA A 147 5.114 16.054 4.985 1.00 0.00 H new ATOM 0 HA ALA A 147 3.910 18.406 6.125 1.00 0.00 H new ATOM 0 HB1 ALA A 147 4.931 17.539 8.194 1.00 0.00 H new ATOM 0 HB2 ALA A 147 4.031 16.273 7.326 1.00 0.00 H new ATOM 0 HB3 ALA A 147 5.808 16.316 7.245 1.00 0.00 H new ATOM 2289 N GLN A 148 7.108 18.322 5.434 1.00 0.00 N ATOM 2290 CA GLN A 148 8.310 19.137 5.323 1.00 0.00 C ATOM 2291 C GLN A 148 8.148 20.202 4.240 1.00 0.00 C ATOM 2292 O GLN A 148 8.967 21.115 4.129 1.00 0.00 O ATOM 2293 CB GLN A 148 9.521 18.257 5.011 1.00 0.00 C ATOM 2294 CG GLN A 148 10.852 18.971 5.181 1.00 0.00 C ATOM 2295 CD GLN A 148 12.037 18.033 5.064 1.00 0.00 C ATOM 2296 OE1 GLN A 148 12.911 18.221 4.219 1.00 0.00 O ATOM 2297 NE2 GLN A 148 12.070 17.014 5.915 1.00 0.00 N ATOM 0 H GLN A 148 7.187 17.395 5.016 1.00 0.00 H new ATOM 0 HA GLN A 148 8.469 19.637 6.278 1.00 0.00 H new ATOM 0 HB2 GLN A 148 9.502 17.383 5.662 1.00 0.00 H new ATOM 0 HB3 GLN A 148 9.441 17.894 3.986 1.00 0.00 H new ATOM 0 HG2 GLN A 148 10.938 19.755 4.428 1.00 0.00 H new ATOM 0 HG3 GLN A 148 10.876 19.460 6.155 1.00 0.00 H new ATOM 0 HE21 GLN A 148 11.323 16.897 6.600 1.00 0.00 H new ATOM 0 HE22 GLN A 148 12.842 16.348 5.884 1.00 0.00 H new ATOM 2306 N THR A 149 7.087 20.083 3.442 1.00 0.00 N ATOM 2307 CA THR A 149 6.827 21.039 2.371 1.00 0.00 C ATOM 2308 C THR A 149 5.489 21.748 2.576 1.00 0.00 C ATOM 2309 O THR A 149 4.960 22.371 1.654 1.00 0.00 O ATOM 2310 CB THR A 149 6.842 20.334 1.013 1.00 0.00 C ATOM 2311 OG1 THR A 149 6.767 21.275 -0.042 1.00 0.00 O ATOM 2312 CG2 THR A 149 5.704 19.352 0.833 1.00 0.00 C ATOM 0 H THR A 149 6.397 19.336 3.518 1.00 0.00 H new ATOM 0 HA THR A 149 7.618 21.789 2.393 1.00 0.00 H new ATOM 0 HB THR A 149 7.782 19.784 0.986 1.00 0.00 H new ATOM 0 HG1 THR A 149 6.140 21.988 0.200 1.00 0.00 H new ATOM 0 HG21 THR A 149 5.776 18.889 -0.151 1.00 0.00 H new ATOM 0 HG22 THR A 149 5.763 18.582 1.602 1.00 0.00 H new ATOM 0 HG23 THR A 149 4.753 19.878 0.918 1.00 0.00 H new ATOM 2320 N ALA A 150 4.943 21.653 3.786 1.00 0.00 N ATOM 2321 CA ALA A 150 3.670 22.287 4.102 1.00 0.00 C ATOM 2322 C ALA A 150 3.691 22.893 5.502 1.00 0.00 C ATOM 2323 O ALA A 150 4.664 22.636 6.242 1.00 0.00 O ATOM 2324 CB ALA A 150 2.534 21.283 3.977 1.00 0.00 C ATOM 2325 OXT ALA A 150 2.734 23.618 5.846 1.00 0.00 O ATOM 0 H ALA A 150 5.364 21.143 4.562 1.00 0.00 H new ATOM 0 HA ALA A 150 3.507 23.094 3.387 1.00 0.00 H new ATOM 0 HB1 ALA A 150 1.589 21.771 4.216 1.00 0.00 H new ATOM 0 HB2 ALA A 150 2.497 20.901 2.957 1.00 0.00 H new ATOM 0 HB3 ALA A 150 2.701 20.457 4.668 1.00 0.00 H new