USER MOD reduce.3.24.130724 H: found=0, std=0, add=928, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 928 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 80 GLN :FLIP amide:sc= -0.134 F(o=-2.5!,f=-1) USER MOD Set 1.2: A 84 THR OG1 : rot -1:sc= -1.15! USER MOD Set 1.3: A 98 THR OG1 : rot -64:sc= 0.27 USER MOD Set 2.1: A 17 TYR OH : rot -39:sc= 0.829 USER MOD Set 2.2: A 88 TYR OH : rot 180:sc= 1.11 USER MOD Set 3.1: A 15 LYS NZ :NH3+ -150:sc= 1.93 (180deg=0.439) USER MOD Set 3.2: A 16 ASN : amide:sc= -0.0365 K(o=1.9,f=-9.4!) USER MOD Single : A 1 GLY N :NH3+ -132:sc= 0.08 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 25 THR OG1 : rot -70:sc= 1.13 USER MOD Single : A 26 LYS NZ :NH3+ -123:sc= -0.0153 (180deg=-2.17!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot -170:sc= -0.218 USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 40 CYS SG : rot 60:sc= 0.0794 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -136:sc= 2.14 (180deg=0.676) USER MOD Single : A 47 TYR OH : rot 165:sc= -0.229 USER MOD Single : A 54 TYR OH : rot -140:sc= -0.553 USER MOD Single : A 56 LYS NZ :NH3+ -162:sc= 0.444 (180deg=-0.328) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 175:sc= 1.14 (180deg=1.04) USER MOD Single : A 67 LYS NZ :NH3+ 176:sc= 0.803 (180deg=0.711) USER MOD Single : A 71 THR OG1 : rot -24:sc= 0.362 USER MOD Single : A 73 ASN : amide:sc= -2.04! C(o=-2!,f=-12!) USER MOD Single : A 86 LYS NZ :NH3+ -151:sc= 0.639! (180deg=-0.263!) USER MOD Single : A 93 LYS NZ :NH3+ -172:sc= -0.0104 (180deg=-0.109) USER MOD Single : A 95 GLN :FLIP amide:sc= 0 F(o=-0.81,f=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0.361 USER MOD Single : A 102 SER OG : rot -116:sc= 1.21 USER MOD Single : A 104 THR OG1 : rot 177:sc= 0.187 USER MOD Single : A 110 LYS NZ :NH3+ 176:sc= 1.29 (180deg=1.07) USER MOD Single : A 115 ASN : amide:sc= -2.92 K(o=-2.9,f=-6.6!) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 TYR OH : rot -174:sc= 0.58 USER MOD Single : A 119 LYS NZ :NH3+ 163:sc= -0.0835 (180deg=-0.405) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.599 21.266 -10.341 1.00 0.00 N ATOM 2 CA GLY A 1 10.220 21.678 -10.603 1.00 0.00 C ATOM 3 C GLY A 1 9.451 21.824 -9.312 1.00 0.00 C ATOM 4 O GLY A 1 10.064 22.030 -8.256 1.00 0.00 O ATOM 0 H1 GLY A 1 12.250 21.869 -10.882 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.803 21.361 -9.326 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.726 20.275 -10.629 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.215 22.624 -11.144 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.731 20.943 -11.242 1.00 0.00 H new ATOM 10 N PRO A 2 8.107 21.742 -9.354 1.00 0.00 N ATOM 11 CA PRO A 2 7.275 21.814 -8.157 1.00 0.00 C ATOM 12 C PRO A 2 7.505 20.597 -7.273 1.00 0.00 C ATOM 13 O PRO A 2 7.194 19.451 -7.657 1.00 0.00 O ATOM 14 CB PRO A 2 5.832 21.817 -8.696 1.00 0.00 C ATOM 15 CG PRO A 2 5.958 22.123 -10.148 1.00 0.00 C ATOM 16 CD PRO A 2 7.293 21.591 -10.567 1.00 0.00 C ATOM 0 HA PRO A 2 7.498 22.690 -7.548 1.00 0.00 H new ATOM 0 HB2 PRO A 2 5.350 20.852 -8.537 1.00 0.00 H new ATOM 0 HB3 PRO A 2 5.223 22.565 -8.187 1.00 0.00 H new ATOM 0 HG2 PRO A 2 5.155 21.654 -10.717 1.00 0.00 H new ATOM 0 HG3 PRO A 2 5.892 23.196 -10.328 1.00 0.00 H new ATOM 0 HD2 PRO A 2 7.231 20.550 -10.884 1.00 0.00 H new ATOM 0 HD3 PRO A 2 7.707 22.154 -11.403 1.00 0.00 H new ATOM 24 N LEU A 3 8.081 20.829 -6.130 1.00 0.00 N ATOM 25 CA LEU A 3 8.376 19.776 -5.206 1.00 0.00 C ATOM 26 C LEU A 3 7.171 19.503 -4.348 1.00 0.00 C ATOM 27 O LEU A 3 6.564 20.423 -3.790 1.00 0.00 O ATOM 28 CB LEU A 3 9.591 20.126 -4.346 1.00 0.00 C ATOM 29 CG LEU A 3 10.914 20.324 -5.093 1.00 0.00 C ATOM 30 CD1 LEU A 3 12.002 20.725 -4.129 1.00 0.00 C ATOM 31 CD2 LEU A 3 11.313 19.058 -5.830 1.00 0.00 C ATOM 0 H LEU A 3 8.360 21.757 -5.812 1.00 0.00 H new ATOM 0 HA LEU A 3 8.621 18.874 -5.767 1.00 0.00 H new ATOM 0 HB2 LEU A 3 9.369 21.040 -3.795 1.00 0.00 H new ATOM 0 HB3 LEU A 3 9.729 19.335 -3.609 1.00 0.00 H new ATOM 0 HG LEU A 3 10.776 21.120 -5.825 1.00 0.00 H new ATOM 0 HD11 LEU A 3 12.937 20.863 -4.672 1.00 0.00 H new ATOM 0 HD12 LEU A 3 11.727 21.658 -3.638 1.00 0.00 H new ATOM 0 HD13 LEU A 3 12.130 19.944 -3.379 1.00 0.00 H new ATOM 0 HD21 LEU A 3 12.255 19.223 -6.353 1.00 0.00 H new ATOM 0 HD22 LEU A 3 11.432 18.243 -5.116 1.00 0.00 H new ATOM 0 HD23 LEU A 3 10.539 18.798 -6.551 1.00 0.00 H new ATOM 43 N GLY A 4 6.811 18.267 -4.270 1.00 0.00 N ATOM 44 CA GLY A 4 5.666 17.884 -3.525 1.00 0.00 C ATOM 45 C GLY A 4 4.742 17.083 -4.381 1.00 0.00 C ATOM 46 O GLY A 4 5.142 16.014 -4.875 1.00 0.00 O ATOM 0 H GLY A 4 7.303 17.496 -4.721 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.967 17.300 -2.655 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.152 18.770 -3.152 1.00 0.00 H new ATOM 50 N SER A 5 3.551 17.637 -4.630 1.00 0.00 N ATOM 51 CA SER A 5 2.493 16.984 -5.390 1.00 0.00 C ATOM 52 C SER A 5 2.038 15.708 -4.663 1.00 0.00 C ATOM 53 O SER A 5 2.726 14.677 -4.675 1.00 0.00 O ATOM 54 CB SER A 5 2.946 16.732 -6.833 1.00 0.00 C ATOM 55 OG SER A 5 3.393 17.955 -7.419 1.00 0.00 O ATOM 0 H SER A 5 3.296 18.568 -4.301 1.00 0.00 H new ATOM 0 HA SER A 5 1.624 17.638 -5.454 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.749 15.995 -6.849 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.123 16.318 -7.416 1.00 0.00 H new ATOM 0 HG SER A 5 3.683 17.789 -8.340 1.00 0.00 H new ATOM 61 N GLU A 6 0.890 15.797 -4.021 1.00 0.00 N ATOM 62 CA GLU A 6 0.388 14.753 -3.138 1.00 0.00 C ATOM 63 C GLU A 6 -0.061 13.475 -3.849 1.00 0.00 C ATOM 64 O GLU A 6 -1.247 13.245 -4.133 1.00 0.00 O ATOM 65 CB GLU A 6 -0.642 15.264 -2.078 1.00 0.00 C ATOM 66 CG GLU A 6 -1.887 15.993 -2.614 1.00 0.00 C ATOM 67 CD GLU A 6 -1.564 17.275 -3.338 1.00 0.00 C ATOM 68 OE1 GLU A 6 -1.425 18.323 -2.698 1.00 0.00 O1- ATOM 69 OE2 GLU A 6 -1.399 17.238 -4.565 1.00 0.00 O ATOM 0 H GLU A 6 0.270 16.603 -4.096 1.00 0.00 H new ATOM 0 HA GLU A 6 1.267 14.452 -2.569 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -0.976 14.409 -1.490 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -0.122 15.937 -1.396 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -2.425 15.328 -3.290 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -2.557 16.213 -1.782 1.00 0.00 H new ATOM 76 N GLY A 7 0.915 12.715 -4.217 1.00 0.00 N ATOM 77 CA GLY A 7 0.723 11.412 -4.752 1.00 0.00 C ATOM 78 C GLY A 7 2.022 10.611 -4.755 1.00 0.00 C ATOM 79 O GLY A 7 2.404 10.095 -5.804 1.00 0.00 O ATOM 0 H GLY A 7 1.894 12.992 -4.152 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.030 10.884 -4.166 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.339 11.488 -5.769 1.00 0.00 H new ATOM 83 N PRO A 8 2.762 10.507 -3.599 1.00 0.00 N ATOM 84 CA PRO A 8 3.984 9.706 -3.546 1.00 0.00 C ATOM 85 C PRO A 8 3.626 8.237 -3.545 1.00 0.00 C ATOM 86 O PRO A 8 4.224 7.419 -4.268 1.00 0.00 O ATOM 87 CB PRO A 8 4.634 10.105 -2.230 1.00 0.00 C ATOM 88 CG PRO A 8 3.535 10.617 -1.375 1.00 0.00 C ATOM 89 CD PRO A 8 2.464 11.137 -2.284 1.00 0.00 C ATOM 0 HA PRO A 8 4.645 9.871 -4.396 1.00 0.00 H new ATOM 0 HB2 PRO A 8 5.128 9.252 -1.763 1.00 0.00 H new ATOM 0 HB3 PRO A 8 5.396 10.868 -2.386 1.00 0.00 H new ATOM 0 HG2 PRO A 8 3.145 9.825 -0.736 1.00 0.00 H new ATOM 0 HG3 PRO A 8 3.897 11.407 -0.717 1.00 0.00 H new ATOM 0 HD2 PRO A 8 1.471 10.863 -1.927 1.00 0.00 H new ATOM 0 HD3 PRO A 8 2.490 12.225 -2.349 1.00 0.00 H new ATOM 97 N VAL A 9 2.642 7.921 -2.731 1.00 0.00 N ATOM 98 CA VAL A 9 2.061 6.641 -2.698 1.00 0.00 C ATOM 99 C VAL A 9 1.287 6.480 -3.991 1.00 0.00 C ATOM 100 O VAL A 9 0.465 7.335 -4.358 1.00 0.00 O ATOM 101 CB VAL A 9 1.177 6.421 -1.413 1.00 0.00 C ATOM 102 CG1 VAL A 9 0.299 7.613 -1.098 1.00 0.00 C ATOM 103 CG2 VAL A 9 0.325 5.187 -1.549 1.00 0.00 C ATOM 0 H VAL A 9 2.231 8.578 -2.068 1.00 0.00 H new ATOM 0 HA VAL A 9 2.827 5.869 -2.627 1.00 0.00 H new ATOM 0 HB VAL A 9 1.872 6.293 -0.583 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.288 7.406 -0.203 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.923 8.490 -0.928 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.372 7.803 -1.936 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.275 5.058 -0.648 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.333 5.292 -2.412 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.966 4.316 -1.686 1.00 0.00 H new ATOM 113 N THR A 10 1.591 5.436 -4.686 1.00 0.00 N ATOM 114 CA THR A 10 1.096 5.227 -5.990 1.00 0.00 C ATOM 115 C THR A 10 -0.377 4.852 -5.960 1.00 0.00 C ATOM 116 O THR A 10 -0.752 3.777 -5.507 1.00 0.00 O ATOM 117 CB THR A 10 1.941 4.148 -6.680 1.00 0.00 C ATOM 118 OG1 THR A 10 3.330 4.504 -6.507 1.00 0.00 O ATOM 119 CG2 THR A 10 1.633 4.078 -8.169 1.00 0.00 C ATOM 0 H THR A 10 2.204 4.693 -4.350 1.00 0.00 H new ATOM 0 HA THR A 10 1.174 6.152 -6.561 1.00 0.00 H new ATOM 0 HB THR A 10 1.717 3.176 -6.240 1.00 0.00 H new ATOM 0 HG1 THR A 10 3.896 3.830 -6.937 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.247 3.305 -8.632 1.00 0.00 H new ATOM 0 HG22 THR A 10 0.579 3.839 -8.312 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.852 5.040 -8.632 1.00 0.00 H new ATOM 127 N VAL A 11 -1.205 5.782 -6.356 1.00 0.00 N ATOM 128 CA VAL A 11 -2.604 5.525 -6.469 1.00 0.00 C ATOM 129 C VAL A 11 -2.801 4.660 -7.696 1.00 0.00 C ATOM 130 O VAL A 11 -2.507 5.066 -8.832 1.00 0.00 O ATOM 131 CB VAL A 11 -3.422 6.822 -6.581 1.00 0.00 C ATOM 132 CG1 VAL A 11 -4.920 6.527 -6.625 1.00 0.00 C ATOM 133 CG2 VAL A 11 -3.087 7.775 -5.438 1.00 0.00 C ATOM 0 H VAL A 11 -0.925 6.730 -6.606 1.00 0.00 H new ATOM 0 HA VAL A 11 -2.960 5.020 -5.571 1.00 0.00 H new ATOM 0 HB VAL A 11 -3.151 7.309 -7.518 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -5.473 7.463 -6.704 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.142 5.900 -7.489 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -5.215 6.007 -5.714 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.678 8.685 -5.538 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -3.317 7.296 -4.486 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.027 8.025 -5.472 1.00 0.00 H new ATOM 143 N VAL A 12 -3.226 3.484 -7.449 1.00 0.00 N ATOM 144 CA VAL A 12 -3.367 2.453 -8.411 1.00 0.00 C ATOM 145 C VAL A 12 -4.835 2.116 -8.492 1.00 0.00 C ATOM 146 O VAL A 12 -5.418 1.759 -7.502 1.00 0.00 O ATOM 147 CB VAL A 12 -2.596 1.206 -7.875 1.00 0.00 C ATOM 148 CG1 VAL A 12 -2.778 0.038 -8.737 1.00 0.00 C ATOM 149 CG2 VAL A 12 -1.119 1.472 -7.745 1.00 0.00 C ATOM 0 H VAL A 12 -3.504 3.192 -6.512 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.984 2.750 -9.387 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.017 1.000 -6.891 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.224 -0.807 -8.327 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.837 -0.214 -8.790 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.408 0.263 -9.737 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.620 0.579 -7.369 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.709 1.733 -8.721 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.958 2.297 -7.051 1.00 0.00 H new ATOM 159 N VAL A 13 -5.431 2.285 -9.645 1.00 0.00 N ATOM 160 CA VAL A 13 -6.814 1.889 -9.821 1.00 0.00 C ATOM 161 C VAL A 13 -6.938 0.369 -9.854 1.00 0.00 C ATOM 162 O VAL A 13 -5.924 -0.339 -9.925 1.00 0.00 O ATOM 163 CB VAL A 13 -7.459 2.484 -11.096 1.00 0.00 C ATOM 164 CG1 VAL A 13 -7.647 3.968 -10.960 1.00 0.00 C ATOM 165 CG2 VAL A 13 -6.625 2.174 -12.324 1.00 0.00 C ATOM 0 H VAL A 13 -4.990 2.689 -10.471 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.354 2.290 -8.964 1.00 0.00 H new ATOM 0 HB VAL A 13 -8.438 2.020 -11.218 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.102 4.362 -11.869 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -8.296 4.176 -10.110 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.679 4.444 -10.803 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.101 2.604 -13.205 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -5.629 2.601 -12.205 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.544 1.094 -12.446 1.00 0.00 H new ATOM 175 N ALA A 14 -8.166 -0.119 -9.877 1.00 0.00 N ATOM 176 CA ALA A 14 -8.466 -1.553 -9.864 1.00 0.00 C ATOM 177 C ALA A 14 -7.856 -2.241 -11.063 1.00 0.00 C ATOM 178 O ALA A 14 -7.537 -3.431 -11.018 1.00 0.00 O ATOM 179 CB ALA A 14 -9.960 -1.784 -9.832 1.00 0.00 C ATOM 0 H ALA A 14 -8.998 0.471 -9.906 1.00 0.00 H new ATOM 0 HA ALA A 14 -8.028 -1.981 -8.962 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -10.162 -2.855 -9.823 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.380 -1.328 -8.935 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -10.416 -1.336 -10.715 1.00 0.00 H new ATOM 185 N LYS A 15 -7.685 -1.477 -12.120 1.00 0.00 N ATOM 186 CA LYS A 15 -7.022 -1.947 -13.325 1.00 0.00 C ATOM 187 C LYS A 15 -5.589 -2.327 -13.023 1.00 0.00 C ATOM 188 O LYS A 15 -5.135 -3.441 -13.301 1.00 0.00 O ATOM 189 CB LYS A 15 -7.006 -0.847 -14.418 1.00 0.00 C ATOM 190 CG LYS A 15 -5.870 -1.036 -15.416 1.00 0.00 C ATOM 191 CD LYS A 15 -5.814 0.014 -16.485 1.00 0.00 C ATOM 192 CE LYS A 15 -4.654 -0.256 -17.443 1.00 0.00 C ATOM 193 NZ LYS A 15 -3.333 -0.335 -16.761 1.00 0.00 N1+ ATOM 0 H LYS A 15 -8.002 -0.509 -12.172 1.00 0.00 H new ATOM 0 HA LYS A 15 -7.578 -2.813 -13.684 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.958 -0.853 -14.949 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.911 0.130 -13.945 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -4.923 -1.040 -14.876 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.973 -2.014 -15.887 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -6.753 0.029 -17.038 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -5.696 0.998 -16.030 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.839 -1.191 -17.972 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.621 0.533 -18.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.587 -0.015 -17.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -3.341 0.273 -15.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.147 -1.318 -16.478 1.00 0.00 H new ATOM 207 N ASN A 16 -4.908 -1.417 -12.389 1.00 0.00 N ATOM 208 CA ASN A 16 -3.487 -1.513 -12.248 1.00 0.00 C ATOM 209 C ASN A 16 -3.149 -2.306 -11.065 1.00 0.00 C ATOM 210 O ASN A 16 -2.029 -2.688 -10.867 1.00 0.00 O ATOM 211 CB ASN A 16 -2.863 -0.168 -12.054 1.00 0.00 C ATOM 212 CG ASN A 16 -3.178 0.840 -13.074 1.00 0.00 C ATOM 213 OD1 ASN A 16 -3.393 0.555 -14.224 1.00 0.00 O ATOM 214 ND2 ASN A 16 -3.225 2.029 -12.629 1.00 0.00 N ATOM 0 H ASN A 16 -5.322 -0.591 -11.957 1.00 0.00 H new ATOM 0 HA ASN A 16 -3.112 -1.975 -13.161 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -3.173 0.218 -11.083 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -1.781 -0.293 -12.017 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -3.454 2.800 -13.257 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -3.034 2.213 -11.644 1.00 0.00 H new ATOM 221 N TYR A 17 -4.105 -2.508 -10.245 1.00 0.00 N ATOM 222 CA TYR A 17 -3.937 -3.217 -9.037 1.00 0.00 C ATOM 223 C TYR A 17 -3.410 -4.623 -9.245 1.00 0.00 C ATOM 224 O TYR A 17 -2.602 -5.107 -8.466 1.00 0.00 O ATOM 225 CB TYR A 17 -5.212 -3.116 -8.226 1.00 0.00 C ATOM 226 CG TYR A 17 -5.471 -4.214 -7.264 1.00 0.00 C ATOM 227 CD1 TYR A 17 -4.778 -4.290 -6.100 1.00 0.00 C ATOM 228 CD2 TYR A 17 -6.432 -5.167 -7.526 1.00 0.00 C ATOM 229 CE1 TYR A 17 -5.014 -5.271 -5.191 1.00 0.00 C ATOM 230 CE2 TYR A 17 -6.688 -6.173 -6.627 1.00 0.00 C ATOM 231 CZ TYR A 17 -5.975 -6.214 -5.453 1.00 0.00 C ATOM 232 OH TYR A 17 -6.222 -7.200 -4.542 1.00 0.00 O ATOM 0 H TYR A 17 -5.057 -2.175 -10.399 1.00 0.00 H new ATOM 0 HA TYR A 17 -3.146 -2.755 -8.446 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -5.192 -2.176 -7.674 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -6.053 -3.062 -8.917 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -4.019 -3.551 -5.891 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -6.990 -5.122 -8.449 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -4.450 -5.308 -4.271 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -7.438 -6.920 -6.839 1.00 0.00 H new ATOM 0 HH TYR A 17 -5.376 -7.501 -4.148 1.00 0.00 H new ATOM 242 N ASN A 18 -3.772 -5.214 -10.337 1.00 0.00 N ATOM 243 CA ASN A 18 -3.312 -6.547 -10.647 1.00 0.00 C ATOM 244 C ASN A 18 -1.878 -6.509 -11.189 1.00 0.00 C ATOM 245 O ASN A 18 -1.183 -7.517 -11.178 1.00 0.00 O ATOM 246 CB ASN A 18 -4.205 -7.202 -11.702 1.00 0.00 C ATOM 247 CG ASN A 18 -5.670 -7.222 -11.346 1.00 0.00 C ATOM 248 OD1 ASN A 18 -6.050 -7.328 -10.182 1.00 0.00 O ATOM 249 ND2 ASN A 18 -6.504 -7.109 -12.341 1.00 0.00 N ATOM 0 H ASN A 18 -4.387 -4.801 -11.038 1.00 0.00 H new ATOM 0 HA ASN A 18 -3.348 -7.126 -9.724 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.079 -6.673 -12.647 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -3.868 -8.226 -11.862 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -7.509 -7.107 -12.166 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -6.152 -7.023 -13.294 1.00 0.00 H new ATOM 256 N GLU A 19 -1.432 -5.343 -11.631 1.00 0.00 N ATOM 257 CA GLU A 19 -0.127 -5.245 -12.300 1.00 0.00 C ATOM 258 C GLU A 19 0.911 -4.635 -11.387 1.00 0.00 C ATOM 259 O GLU A 19 2.039 -5.095 -11.277 1.00 0.00 O ATOM 260 CB GLU A 19 -0.275 -4.443 -13.617 1.00 0.00 C ATOM 261 CG GLU A 19 -0.579 -2.960 -13.512 1.00 0.00 C ATOM 262 CD GLU A 19 -0.952 -2.304 -14.832 1.00 0.00 C ATOM 263 OE1 GLU A 19 -2.139 -2.358 -15.232 1.00 0.00 O1- ATOM 264 OE2 GLU A 19 -0.057 -1.703 -15.485 1.00 0.00 O ATOM 0 H GLU A 19 -1.938 -4.461 -11.545 1.00 0.00 H new ATOM 0 HA GLU A 19 0.221 -6.248 -12.546 1.00 0.00 H new ATOM 0 HB2 GLU A 19 0.649 -4.556 -14.184 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.068 -4.907 -14.204 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.396 -2.817 -12.805 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.292 -2.451 -13.100 1.00 0.00 H new ATOM 271 N ILE A 20 0.498 -3.611 -10.766 1.00 0.00 N ATOM 272 CA ILE A 20 1.311 -2.834 -9.854 1.00 0.00 C ATOM 273 C ILE A 20 1.322 -3.442 -8.463 1.00 0.00 C ATOM 274 O ILE A 20 2.375 -3.699 -7.920 1.00 0.00 O ATOM 275 CB ILE A 20 0.792 -1.377 -9.723 1.00 0.00 C ATOM 276 CG1 ILE A 20 0.680 -0.680 -11.095 1.00 0.00 C ATOM 277 CG2 ILE A 20 1.691 -0.568 -8.778 1.00 0.00 C ATOM 278 CD1 ILE A 20 1.990 -0.440 -11.815 1.00 0.00 C ATOM 0 H ILE A 20 -0.452 -3.253 -10.864 1.00 0.00 H new ATOM 0 HA ILE A 20 2.317 -2.836 -10.274 1.00 0.00 H new ATOM 0 HB ILE A 20 -0.211 -1.425 -9.299 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.038 -1.283 -11.737 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.181 0.279 -10.956 1.00 0.00 H new ATOM 0 HG21 ILE A 20 1.312 0.451 -8.698 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.693 -1.032 -7.792 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.707 -0.547 -9.172 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.797 0.054 -12.767 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.632 0.192 -11.202 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.486 -1.394 -11.995 1.00 0.00 H new ATOM 290 N VAL A 21 0.139 -3.663 -7.892 1.00 0.00 N ATOM 291 CA VAL A 21 0.040 -4.102 -6.514 1.00 0.00 C ATOM 292 C VAL A 21 0.249 -5.568 -6.399 1.00 0.00 C ATOM 293 O VAL A 21 0.891 -6.045 -5.492 1.00 0.00 O ATOM 294 CB VAL A 21 -1.329 -3.734 -5.948 1.00 0.00 C ATOM 295 CG1 VAL A 21 -1.444 -4.187 -4.499 1.00 0.00 C ATOM 296 CG2 VAL A 21 -1.531 -2.237 -6.066 1.00 0.00 C ATOM 0 H VAL A 21 -0.757 -3.544 -8.365 1.00 0.00 H new ATOM 0 HA VAL A 21 0.821 -3.599 -5.944 1.00 0.00 H new ATOM 0 HB VAL A 21 -2.107 -4.242 -6.517 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.426 -3.917 -4.110 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.317 -5.268 -4.445 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.672 -3.700 -3.903 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -2.508 -1.969 -5.663 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.753 -1.720 -5.505 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.478 -1.944 -7.115 1.00 0.00 H new ATOM 306 N LEU A 22 -0.242 -6.265 -7.352 1.00 0.00 N ATOM 307 CA LEU A 22 -0.176 -7.686 -7.357 1.00 0.00 C ATOM 308 C LEU A 22 1.079 -8.080 -8.149 1.00 0.00 C ATOM 309 O LEU A 22 1.124 -9.075 -8.884 1.00 0.00 O ATOM 310 CB LEU A 22 -1.458 -8.186 -8.002 1.00 0.00 C ATOM 311 CG LEU A 22 -2.044 -9.533 -7.509 1.00 0.00 C ATOM 312 CD1 LEU A 22 -3.193 -9.989 -8.381 1.00 0.00 C ATOM 313 CD2 LEU A 22 -0.994 -10.624 -7.335 1.00 0.00 C ATOM 0 H LEU A 22 -0.709 -5.864 -8.165 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.099 -8.125 -6.362 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.221 -7.420 -7.865 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.281 -8.272 -9.074 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.438 -9.344 -6.510 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.580 -10.937 -8.007 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.985 -9.240 -8.361 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.843 -10.119 -9.405 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.474 -11.539 -6.988 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.503 -10.812 -8.290 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.253 -10.303 -6.603 1.00 0.00 H new ATOM 325 N ASP A 23 2.074 -7.267 -8.001 1.00 0.00 N ATOM 326 CA ASP A 23 3.358 -7.485 -8.594 1.00 0.00 C ATOM 327 C ASP A 23 4.197 -8.351 -7.664 1.00 0.00 C ATOM 328 O ASP A 23 3.992 -8.353 -6.454 1.00 0.00 O ATOM 329 CB ASP A 23 4.042 -6.154 -8.841 1.00 0.00 C ATOM 330 CG ASP A 23 5.380 -6.269 -9.456 1.00 0.00 C ATOM 331 OD1 ASP A 23 5.484 -6.288 -10.675 1.00 0.00 O1- ATOM 332 OD2 ASP A 23 6.354 -6.274 -8.734 1.00 0.00 O ATOM 0 H ASP A 23 2.017 -6.410 -7.451 1.00 0.00 H new ATOM 0 HA ASP A 23 3.242 -7.996 -9.550 1.00 0.00 H new ATOM 0 HB2 ASP A 23 3.408 -5.546 -9.487 1.00 0.00 H new ATOM 0 HB3 ASP A 23 4.134 -5.623 -7.893 1.00 0.00 H new ATOM 337 N ASP A 24 5.105 -9.098 -8.222 1.00 0.00 N ATOM 338 CA ASP A 24 5.929 -10.008 -7.452 1.00 0.00 C ATOM 339 C ASP A 24 7.397 -9.614 -7.499 1.00 0.00 C ATOM 340 O ASP A 24 8.265 -10.398 -7.110 1.00 0.00 O ATOM 341 CB ASP A 24 5.771 -11.426 -7.990 1.00 0.00 C ATOM 342 CG ASP A 24 6.281 -11.587 -9.406 1.00 0.00 C ATOM 343 OD1 ASP A 24 5.573 -11.200 -10.345 1.00 0.00 O ATOM 344 OD2 ASP A 24 7.380 -12.129 -9.601 1.00 0.00 O1- ATOM 0 H ASP A 24 5.302 -9.100 -9.223 1.00 0.00 H new ATOM 0 HA ASP A 24 5.597 -9.959 -6.415 1.00 0.00 H new ATOM 0 HB2 ASP A 24 6.305 -12.117 -7.338 1.00 0.00 H new ATOM 0 HB3 ASP A 24 4.718 -11.705 -7.956 1.00 0.00 H new ATOM 349 N THR A 25 7.684 -8.416 -7.942 1.00 0.00 N ATOM 350 CA THR A 25 9.061 -8.004 -8.069 1.00 0.00 C ATOM 351 C THR A 25 9.457 -7.097 -6.894 1.00 0.00 C ATOM 352 O THR A 25 10.631 -6.998 -6.537 1.00 0.00 O ATOM 353 CB THR A 25 9.341 -7.307 -9.439 1.00 0.00 C ATOM 354 OG1 THR A 25 8.765 -5.999 -9.471 1.00 0.00 O ATOM 355 CG2 THR A 25 8.699 -8.104 -10.564 1.00 0.00 C ATOM 0 H THR A 25 6.994 -7.717 -8.218 1.00 0.00 H new ATOM 0 HA THR A 25 9.679 -8.901 -8.040 1.00 0.00 H new ATOM 0 HB THR A 25 10.422 -7.248 -9.563 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.789 -6.072 -9.512 1.00 0.00 H new ATOM 0 HG21 THR A 25 8.898 -7.613 -11.517 1.00 0.00 H new ATOM 0 HG22 THR A 25 9.116 -9.111 -10.581 1.00 0.00 H new ATOM 0 HG23 THR A 25 7.623 -8.160 -10.402 1.00 0.00 H new ATOM 363 N LYS A 26 8.470 -6.469 -6.275 1.00 0.00 N ATOM 364 CA LYS A 26 8.703 -5.622 -5.125 1.00 0.00 C ATOM 365 C LYS A 26 7.580 -5.793 -4.142 1.00 0.00 C ATOM 366 O LYS A 26 6.542 -6.332 -4.502 1.00 0.00 O ATOM 367 CB LYS A 26 8.835 -4.137 -5.490 1.00 0.00 C ATOM 368 CG LYS A 26 7.584 -3.444 -6.050 1.00 0.00 C ATOM 369 CD LYS A 26 7.378 -3.681 -7.526 1.00 0.00 C ATOM 370 CE LYS A 26 6.151 -2.939 -8.035 1.00 0.00 C ATOM 371 NZ LYS A 26 5.960 -3.108 -9.489 1.00 0.00 N1+ ATOM 0 H LYS A 26 7.492 -6.534 -6.556 1.00 0.00 H new ATOM 0 HA LYS A 26 9.653 -5.932 -4.689 1.00 0.00 H new ATOM 0 HB2 LYS A 26 9.152 -3.596 -4.599 1.00 0.00 H new ATOM 0 HB3 LYS A 26 9.635 -4.038 -6.224 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.708 -3.798 -5.507 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.660 -2.372 -5.869 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.260 -3.353 -8.077 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.265 -4.749 -7.713 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.267 -3.300 -7.510 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.248 -1.878 -7.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.939 -2.175 -9.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.745 -3.668 -9.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.062 -3.601 -9.666 1.00 0.00 H new ATOM 385 N ASP A 27 7.779 -5.340 -2.921 1.00 0.00 N ATOM 386 CA ASP A 27 6.744 -5.424 -1.924 1.00 0.00 C ATOM 387 C ASP A 27 5.800 -4.262 -2.140 1.00 0.00 C ATOM 388 O ASP A 27 6.230 -3.104 -2.144 1.00 0.00 O ATOM 389 CB ASP A 27 7.329 -5.367 -0.491 1.00 0.00 C ATOM 390 CG ASP A 27 8.255 -6.546 -0.123 1.00 0.00 C ATOM 391 OD1 ASP A 27 7.958 -7.718 -0.457 1.00 0.00 O1- ATOM 392 OD2 ASP A 27 9.292 -6.321 0.512 1.00 0.00 O ATOM 0 H ASP A 27 8.647 -4.912 -2.601 1.00 0.00 H new ATOM 0 HA ASP A 27 6.223 -6.376 -2.023 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.886 -4.437 -0.378 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.505 -5.334 0.222 1.00 0.00 H new ATOM 397 N VAL A 28 4.556 -4.539 -2.397 1.00 0.00 N ATOM 398 CA VAL A 28 3.593 -3.480 -2.600 1.00 0.00 C ATOM 399 C VAL A 28 2.552 -3.482 -1.527 1.00 0.00 C ATOM 400 O VAL A 28 1.847 -4.463 -1.314 1.00 0.00 O ATOM 401 CB VAL A 28 2.925 -3.505 -3.994 1.00 0.00 C ATOM 402 CG1 VAL A 28 2.075 -2.259 -4.195 1.00 0.00 C ATOM 403 CG2 VAL A 28 3.958 -3.607 -5.084 1.00 0.00 C ATOM 0 H VAL A 28 4.178 -5.483 -2.472 1.00 0.00 H new ATOM 0 HA VAL A 28 4.164 -2.553 -2.546 1.00 0.00 H new ATOM 0 HB VAL A 28 2.283 -4.385 -4.046 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.611 -2.290 -5.181 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.300 -2.220 -3.430 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.705 -1.373 -4.119 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.462 -3.623 -6.055 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.627 -2.748 -5.032 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.533 -4.524 -4.955 1.00 0.00 H new ATOM 413 N LEU A 29 2.472 -2.389 -0.847 1.00 0.00 N ATOM 414 CA LEU A 29 1.518 -2.208 0.198 1.00 0.00 C ATOM 415 C LEU A 29 0.336 -1.564 -0.414 1.00 0.00 C ATOM 416 O LEU A 29 0.491 -0.569 -1.060 1.00 0.00 O ATOM 417 CB LEU A 29 2.052 -1.228 1.201 1.00 0.00 C ATOM 418 CG LEU A 29 1.328 -1.190 2.547 1.00 0.00 C ATOM 419 CD1 LEU A 29 1.534 -2.479 3.348 1.00 0.00 C ATOM 420 CD2 LEU A 29 1.772 0.010 3.335 1.00 0.00 C ATOM 0 H LEU A 29 3.076 -1.582 -1.003 1.00 0.00 H new ATOM 0 HA LEU A 29 1.294 -3.163 0.673 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.102 -1.458 1.381 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.015 -0.231 0.762 1.00 0.00 H new ATOM 0 HG LEU A 29 0.259 -1.110 2.349 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.002 -2.407 4.297 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.150 -3.326 2.780 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.598 -2.623 3.539 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.251 0.030 4.292 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.847 -0.045 3.507 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.540 0.917 2.777 1.00 0.00 H new ATOM 432 N ILE A 30 -0.801 -2.114 -0.284 1.00 0.00 N ATOM 433 CA ILE A 30 -1.943 -1.416 -0.811 1.00 0.00 C ATOM 434 C ILE A 30 -2.929 -0.981 0.274 1.00 0.00 C ATOM 435 O ILE A 30 -3.091 -1.658 1.285 1.00 0.00 O ATOM 436 CB ILE A 30 -2.677 -2.214 -1.895 1.00 0.00 C ATOM 437 CG1 ILE A 30 -3.615 -1.283 -2.642 1.00 0.00 C ATOM 438 CG2 ILE A 30 -3.445 -3.393 -1.284 1.00 0.00 C ATOM 439 CD1 ILE A 30 -4.347 -1.926 -3.744 1.00 0.00 C ATOM 0 H ILE A 30 -0.986 -3.012 0.163 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.532 -0.517 -1.271 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.949 -2.629 -2.592 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.334 -0.866 -1.937 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.039 -0.448 -3.041 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.957 -3.943 -2.074 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.747 -4.057 -0.774 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.178 -3.019 -0.569 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.995 -1.194 -4.226 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.637 -2.318 -4.472 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.952 -2.743 -3.351 1.00 0.00 H new ATOM 451 N GLU A 31 -3.565 0.145 0.040 1.00 0.00 N ATOM 452 CA GLU A 31 -4.614 0.659 0.875 1.00 0.00 C ATOM 453 C GLU A 31 -5.895 0.713 0.047 1.00 0.00 C ATOM 454 O GLU A 31 -5.956 1.411 -0.966 1.00 0.00 O ATOM 455 CB GLU A 31 -4.278 2.083 1.335 1.00 0.00 C ATOM 456 CG GLU A 31 -5.293 2.723 2.283 1.00 0.00 C ATOM 457 CD GLU A 31 -5.060 4.214 2.442 1.00 0.00 C ATOM 458 OE1 GLU A 31 -4.083 4.622 3.083 1.00 0.00 O1- ATOM 459 OE2 GLU A 31 -5.822 5.021 1.851 1.00 0.00 O ATOM 0 H GLU A 31 -3.357 0.741 -0.761 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.731 0.017 1.748 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.306 2.068 1.828 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -4.179 2.717 0.454 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.301 2.552 1.905 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.233 2.240 3.258 1.00 0.00 H new ATOM 466 N PHE A 32 -6.855 -0.071 0.412 1.00 0.00 N ATOM 467 CA PHE A 32 -8.179 0.033 -0.154 1.00 0.00 C ATOM 468 C PHE A 32 -8.839 1.086 0.620 1.00 0.00 C ATOM 469 O PHE A 32 -8.874 0.977 1.842 1.00 0.00 O ATOM 470 CB PHE A 32 -8.978 -1.241 0.051 1.00 0.00 C ATOM 471 CG PHE A 32 -8.434 -2.438 -0.686 1.00 0.00 C ATOM 472 CD1 PHE A 32 -8.793 -2.665 -1.996 1.00 0.00 C ATOM 473 CD2 PHE A 32 -7.567 -3.326 -0.074 1.00 0.00 C ATOM 474 CE1 PHE A 32 -8.294 -3.756 -2.686 1.00 0.00 C ATOM 475 CE2 PHE A 32 -7.067 -4.413 -0.753 1.00 0.00 C ATOM 476 CZ PHE A 32 -7.430 -4.628 -2.061 1.00 0.00 C ATOM 0 H PHE A 32 -6.754 -0.806 1.112 1.00 0.00 H new ATOM 0 HA PHE A 32 -8.118 0.228 -1.225 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -9.010 -1.469 1.116 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -10.005 -1.068 -0.269 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -9.471 -1.985 -2.490 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -7.278 -3.163 0.954 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -8.582 -3.924 -3.713 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.391 -5.096 -0.259 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.038 -5.479 -2.598 1.00 0.00 H new ATOM 486 N TYR A 33 -9.331 2.094 -0.020 1.00 0.00 N ATOM 487 CA TYR A 33 -9.921 3.166 0.718 1.00 0.00 C ATOM 488 C TYR A 33 -11.136 3.728 0.035 1.00 0.00 C ATOM 489 O TYR A 33 -11.621 3.206 -0.969 1.00 0.00 O ATOM 490 CB TYR A 33 -8.889 4.293 0.938 1.00 0.00 C ATOM 491 CG TYR A 33 -8.491 5.065 -0.328 1.00 0.00 C ATOM 492 CD1 TYR A 33 -7.550 4.578 -1.212 1.00 0.00 C ATOM 493 CD2 TYR A 33 -9.091 6.282 -0.627 1.00 0.00 C ATOM 494 CE1 TYR A 33 -7.226 5.279 -2.359 1.00 0.00 C ATOM 495 CE2 TYR A 33 -8.772 6.980 -1.755 1.00 0.00 C ATOM 496 CZ TYR A 33 -7.844 6.479 -2.622 1.00 0.00 C ATOM 497 OH TYR A 33 -7.539 7.178 -3.772 1.00 0.00 O ATOM 0 H TYR A 33 -9.338 2.201 -1.034 1.00 0.00 H new ATOM 0 HA TYR A 33 -10.237 2.756 1.677 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -9.293 4.999 1.664 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -7.991 3.861 1.380 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -7.061 3.638 -1.005 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -9.829 6.686 0.051 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -6.491 4.886 -3.045 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -9.252 7.925 -1.961 1.00 0.00 H new ATOM 0 HH TYR A 33 -8.066 8.004 -3.803 1.00 0.00 H new ATOM 507 N ALA A 34 -11.585 4.796 0.615 1.00 0.00 N ATOM 508 CA ALA A 34 -12.659 5.610 0.171 1.00 0.00 C ATOM 509 C ALA A 34 -12.258 7.011 0.609 1.00 0.00 C ATOM 510 O ALA A 34 -11.590 7.136 1.634 1.00 0.00 O ATOM 511 CB ALA A 34 -13.955 5.180 0.847 1.00 0.00 C ATOM 0 H ALA A 34 -11.173 5.144 1.481 1.00 0.00 H new ATOM 0 HA ALA A 34 -12.834 5.543 -0.903 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -14.773 5.811 0.500 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -14.168 4.140 0.598 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -13.853 5.281 1.927 1.00 0.00 H new ATOM 517 N PRO A 35 -12.663 8.080 -0.081 1.00 0.00 N ATOM 518 CA PRO A 35 -12.173 9.417 0.233 1.00 0.00 C ATOM 519 C PRO A 35 -12.889 9.961 1.433 1.00 0.00 C ATOM 520 O PRO A 35 -12.417 10.854 2.135 1.00 0.00 O ATOM 521 CB PRO A 35 -12.500 10.234 -1.014 1.00 0.00 C ATOM 522 CG PRO A 35 -13.483 9.429 -1.818 1.00 0.00 C ATOM 523 CD PRO A 35 -13.671 8.099 -1.141 1.00 0.00 C ATOM 0 HA PRO A 35 -11.110 9.436 0.473 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -12.923 11.201 -0.742 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -11.598 10.432 -1.593 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -14.435 9.955 -1.891 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -13.117 9.289 -2.835 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -14.677 8.000 -0.733 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -13.528 7.275 -1.840 1.00 0.00 H new ATOM 531 N TRP A 36 -14.017 9.369 1.675 1.00 0.00 N ATOM 532 CA TRP A 36 -14.866 9.722 2.799 1.00 0.00 C ATOM 533 C TRP A 36 -14.509 8.921 4.039 1.00 0.00 C ATOM 534 O TRP A 36 -15.066 9.125 5.110 1.00 0.00 O ATOM 535 CB TRP A 36 -16.355 9.545 2.436 1.00 0.00 C ATOM 536 CG TRP A 36 -16.753 8.162 1.953 1.00 0.00 C ATOM 537 CD1 TRP A 36 -16.937 7.775 0.654 1.00 0.00 C ATOM 538 CD2 TRP A 36 -17.032 6.993 2.755 1.00 0.00 C ATOM 539 NE1 TRP A 36 -17.295 6.452 0.600 1.00 0.00 N ATOM 540 CE2 TRP A 36 -17.361 5.951 1.872 1.00 0.00 C ATOM 541 CE3 TRP A 36 -17.031 6.730 4.128 1.00 0.00 C ATOM 542 CZ2 TRP A 36 -17.681 4.671 2.315 1.00 0.00 C ATOM 543 CZ3 TRP A 36 -17.349 5.462 4.564 1.00 0.00 C ATOM 544 CH2 TRP A 36 -17.669 4.448 3.662 1.00 0.00 C ATOM 0 H TRP A 36 -14.390 8.616 1.097 1.00 0.00 H new ATOM 0 HA TRP A 36 -14.693 10.774 3.028 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -16.956 9.791 3.312 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -16.610 10.268 1.661 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -16.818 8.418 -0.205 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -17.482 5.925 -0.253 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -16.785 7.508 4.836 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -17.930 3.883 1.619 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -17.350 5.250 5.623 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -17.913 3.465 4.037 1.00 0.00 H new ATOM 555 N CYS A 37 -13.569 8.031 3.894 1.00 0.00 N ATOM 556 CA CYS A 37 -13.199 7.140 4.968 1.00 0.00 C ATOM 557 C CYS A 37 -12.339 7.846 6.006 1.00 0.00 C ATOM 558 O CYS A 37 -11.234 8.298 5.699 1.00 0.00 O ATOM 559 CB CYS A 37 -12.474 5.910 4.422 1.00 0.00 C ATOM 560 SG CYS A 37 -11.928 4.721 5.665 1.00 0.00 S ATOM 0 H CYS A 37 -13.037 7.899 3.034 1.00 0.00 H new ATOM 0 HA CYS A 37 -14.117 6.816 5.459 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -13.135 5.400 3.721 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -11.605 6.243 3.855 1.00 0.00 H new ATOM 0 HG CYS A 37 -11.152 3.838 5.110 1.00 0.00 H new ATOM 566 N GLY A 38 -12.840 7.913 7.235 1.00 0.00 N ATOM 567 CA GLY A 38 -12.111 8.539 8.325 1.00 0.00 C ATOM 568 C GLY A 38 -10.802 7.831 8.604 1.00 0.00 C ATOM 569 O GLY A 38 -9.783 8.473 8.880 1.00 0.00 O ATOM 0 H GLY A 38 -13.752 7.539 7.499 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -11.915 9.583 8.079 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -12.726 8.534 9.225 1.00 0.00 H new ATOM 573 N HIS A 39 -10.825 6.510 8.484 1.00 0.00 N ATOM 574 CA HIS A 39 -9.632 5.695 8.689 1.00 0.00 C ATOM 575 C HIS A 39 -8.581 5.998 7.636 1.00 0.00 C ATOM 576 O HIS A 39 -7.408 6.148 7.958 1.00 0.00 O ATOM 577 CB HIS A 39 -9.960 4.190 8.721 1.00 0.00 C ATOM 578 CG HIS A 39 -10.666 3.738 9.972 1.00 0.00 C ATOM 579 ND1 HIS A 39 -12.027 3.562 10.067 1.00 0.00 N ATOM 580 CD2 HIS A 39 -10.172 3.402 11.180 1.00 0.00 C ATOM 581 CE1 HIS A 39 -12.329 3.141 11.274 1.00 0.00 C ATOM 582 NE2 HIS A 39 -11.226 3.036 11.963 1.00 0.00 N ATOM 0 H HIS A 39 -11.661 5.977 8.245 1.00 0.00 H new ATOM 0 HA HIS A 39 -9.226 5.958 9.666 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -10.581 3.947 7.859 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -9.034 3.625 8.616 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -9.133 3.419 11.474 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -13.322 2.919 11.635 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -11.163 2.729 12.934 1.00 0.00 H new ATOM 591 N CYS A 40 -9.019 6.143 6.390 1.00 0.00 N ATOM 592 CA CYS A 40 -8.120 6.471 5.283 1.00 0.00 C ATOM 593 C CYS A 40 -7.478 7.817 5.499 1.00 0.00 C ATOM 594 O CYS A 40 -6.278 7.978 5.331 1.00 0.00 O ATOM 595 CB CYS A 40 -8.863 6.473 3.952 1.00 0.00 C ATOM 596 SG CYS A 40 -7.861 7.026 2.554 1.00 0.00 S ATOM 0 H CYS A 40 -9.996 6.038 6.118 1.00 0.00 H new ATOM 0 HA CYS A 40 -7.347 5.704 5.252 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -9.227 5.466 3.749 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -9.738 7.118 4.037 1.00 0.00 H new ATOM 0 HG CYS A 40 -6.834 6.241 2.419 1.00 0.00 H new ATOM 602 N LYS A 41 -8.269 8.765 5.932 1.00 0.00 N ATOM 603 CA LYS A 41 -7.777 10.119 6.159 1.00 0.00 C ATOM 604 C LYS A 41 -6.771 10.168 7.318 1.00 0.00 C ATOM 605 O LYS A 41 -5.985 11.109 7.435 1.00 0.00 O ATOM 606 CB LYS A 41 -8.926 11.092 6.402 1.00 0.00 C ATOM 607 CG LYS A 41 -9.950 11.169 5.265 1.00 0.00 C ATOM 608 CD LYS A 41 -10.964 12.283 5.504 1.00 0.00 C ATOM 609 CE LYS A 41 -11.745 12.074 6.792 1.00 0.00 C ATOM 610 NZ LYS A 41 -12.661 13.192 7.073 1.00 0.00 N1+ ATOM 0 H LYS A 41 -9.259 8.634 6.138 1.00 0.00 H new ATOM 0 HA LYS A 41 -7.256 10.428 5.253 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.441 10.803 7.318 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -8.513 12.087 6.569 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -9.435 11.341 4.320 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -10.470 10.215 5.176 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -10.447 13.242 5.545 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -11.656 12.330 4.663 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -12.315 11.148 6.723 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -11.049 11.959 7.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -13.172 13.007 7.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -12.116 14.073 7.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -13.343 13.287 6.293 1.00 0.00 H new ATOM 624 N ALA A 42 -6.782 9.139 8.152 1.00 0.00 N ATOM 625 CA ALA A 42 -5.860 9.045 9.274 1.00 0.00 C ATOM 626 C ALA A 42 -4.601 8.334 8.832 1.00 0.00 C ATOM 627 O ALA A 42 -3.550 8.426 9.469 1.00 0.00 O ATOM 628 CB ALA A 42 -6.498 8.275 10.400 1.00 0.00 C ATOM 0 H ALA A 42 -7.425 8.351 8.072 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.614 10.049 9.620 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.802 8.209 11.236 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.405 8.787 10.723 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.750 7.271 10.058 1.00 0.00 H new ATOM 634 N LEU A 43 -4.724 7.629 7.739 1.00 0.00 N ATOM 635 CA LEU A 43 -3.648 6.871 7.135 1.00 0.00 C ATOM 636 C LEU A 43 -2.873 7.734 6.177 1.00 0.00 C ATOM 637 O LEU A 43 -1.700 7.570 6.013 1.00 0.00 O ATOM 638 CB LEU A 43 -4.212 5.665 6.396 1.00 0.00 C ATOM 639 CG LEU A 43 -4.730 4.523 7.263 1.00 0.00 C ATOM 640 CD1 LEU A 43 -5.511 3.533 6.422 1.00 0.00 C ATOM 641 CD2 LEU A 43 -3.571 3.818 7.943 1.00 0.00 C ATOM 0 H LEU A 43 -5.602 7.561 7.224 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.978 6.529 7.924 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.026 6.006 5.757 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.435 5.272 5.740 1.00 0.00 H new ATOM 0 HG LEU A 43 -5.392 4.938 8.023 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -5.874 2.724 7.056 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -6.358 4.038 5.958 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.863 3.124 5.647 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.952 3.004 8.560 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.896 3.416 7.188 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.032 4.527 8.571 1.00 0.00 H new ATOM 653 N ALA A 44 -3.542 8.702 5.658 1.00 0.00 N ATOM 654 CA ALA A 44 -3.060 9.618 4.634 1.00 0.00 C ATOM 655 C ALA A 44 -1.705 10.247 4.942 1.00 0.00 C ATOM 656 O ALA A 44 -0.801 10.117 4.133 1.00 0.00 O ATOM 657 CB ALA A 44 -4.080 10.696 4.366 1.00 0.00 C ATOM 0 H ALA A 44 -4.501 8.905 5.941 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.914 9.008 3.743 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.703 11.371 3.598 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.009 10.241 4.024 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.266 11.256 5.282 1.00 0.00 H new ATOM 663 N PRO A 45 -1.485 10.867 6.149 1.00 0.00 N ATOM 664 CA PRO A 45 -0.233 11.571 6.418 1.00 0.00 C ATOM 665 C PRO A 45 0.927 10.623 6.460 1.00 0.00 C ATOM 666 O PRO A 45 2.050 10.954 6.097 1.00 0.00 O ATOM 667 CB PRO A 45 -0.417 12.172 7.792 1.00 0.00 C ATOM 668 CG PRO A 45 -1.850 12.005 8.144 1.00 0.00 C ATOM 669 CD PRO A 45 -2.375 10.884 7.331 1.00 0.00 C ATOM 0 HA PRO A 45 -0.023 12.308 5.643 1.00 0.00 H new ATOM 0 HB2 PRO A 45 0.221 11.673 8.521 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -0.139 13.226 7.794 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -1.962 11.794 9.207 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -2.405 12.921 7.940 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -2.336 9.941 7.876 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -3.415 11.046 7.048 1.00 0.00 H new ATOM 677 N LYS A 46 0.653 9.426 6.877 1.00 0.00 N ATOM 678 CA LYS A 46 1.727 8.435 6.943 1.00 0.00 C ATOM 679 C LYS A 46 1.859 7.764 5.687 1.00 0.00 C ATOM 680 O LYS A 46 2.923 7.390 5.318 1.00 0.00 O ATOM 681 CB LYS A 46 1.601 7.399 8.044 1.00 0.00 C ATOM 682 CG LYS A 46 0.305 6.637 8.124 1.00 0.00 C ATOM 683 CD LYS A 46 -0.753 7.353 8.970 1.00 0.00 C ATOM 684 CE LYS A 46 -0.168 8.030 10.216 1.00 0.00 C ATOM 685 NZ LYS A 46 -1.202 8.536 11.146 1.00 0.00 N1+ ATOM 0 H LYS A 46 -0.268 9.101 7.172 1.00 0.00 H new ATOM 0 HA LYS A 46 2.616 9.017 7.185 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.410 6.678 7.925 1.00 0.00 H new ATOM 0 HB3 LYS A 46 1.758 7.900 8.999 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.084 6.484 7.117 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.494 5.650 8.546 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.253 8.103 8.357 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.512 6.634 9.277 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.468 7.319 10.743 1.00 0.00 H new ATOM 0 HE3 LYS A 46 0.469 8.858 9.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -0.940 9.488 11.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.119 8.578 10.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -1.275 7.898 11.964 1.00 0.00 H new ATOM 699 N TYR A 47 0.806 7.672 4.999 1.00 0.00 N ATOM 700 CA TYR A 47 0.809 6.945 3.819 1.00 0.00 C ATOM 701 C TYR A 47 1.548 7.718 2.748 1.00 0.00 C ATOM 702 O TYR A 47 2.270 7.151 1.938 1.00 0.00 O ATOM 703 CB TYR A 47 -0.584 6.638 3.411 1.00 0.00 C ATOM 704 CG TYR A 47 -0.760 5.214 3.147 1.00 0.00 C ATOM 705 CD1 TYR A 47 -0.899 4.328 4.184 1.00 0.00 C ATOM 706 CD2 TYR A 47 -0.772 4.752 1.881 1.00 0.00 C ATOM 707 CE1 TYR A 47 -1.055 2.994 3.951 1.00 0.00 C ATOM 708 CE2 TYR A 47 -0.929 3.429 1.607 1.00 0.00 C ATOM 709 CZ TYR A 47 -1.073 2.535 2.651 1.00 0.00 C ATOM 710 OH TYR A 47 -1.234 1.193 2.393 1.00 0.00 O ATOM 0 H TYR A 47 -0.087 8.102 5.241 1.00 0.00 H new ATOM 0 HA TYR A 47 1.327 5.998 3.969 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -1.272 6.952 4.196 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.837 7.209 2.518 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -0.885 4.692 5.201 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -0.654 5.449 1.064 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -1.163 2.305 4.775 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.941 3.081 0.585 1.00 0.00 H new ATOM 0 HH TYR A 47 -1.463 1.067 1.449 1.00 0.00 H new ATOM 720 N GLU A 48 1.381 9.025 2.786 1.00 0.00 N ATOM 721 CA GLU A 48 2.082 9.916 1.912 1.00 0.00 C ATOM 722 C GLU A 48 3.544 9.931 2.237 1.00 0.00 C ATOM 723 O GLU A 48 4.352 9.722 1.385 1.00 0.00 O ATOM 724 CB GLU A 48 1.539 11.326 2.021 1.00 0.00 C ATOM 725 CG GLU A 48 0.145 11.507 1.462 1.00 0.00 C ATOM 726 CD GLU A 48 -0.473 12.817 1.876 1.00 0.00 C ATOM 727 OE1 GLU A 48 0.177 13.878 1.733 1.00 0.00 O ATOM 728 OE2 GLU A 48 -1.634 12.812 2.338 1.00 0.00 O1- ATOM 0 H GLU A 48 0.747 9.493 3.434 1.00 0.00 H new ATOM 0 HA GLU A 48 1.937 9.556 0.894 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.537 11.621 3.070 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.216 12.004 1.501 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.183 11.454 0.374 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.488 10.687 1.799 1.00 0.00 H new ATOM 735 N GLU A 49 3.868 10.100 3.484 1.00 0.00 N ATOM 736 CA GLU A 49 5.233 10.268 3.878 1.00 0.00 C ATOM 737 C GLU A 49 5.994 8.970 3.841 1.00 0.00 C ATOM 738 O GLU A 49 7.145 8.954 3.479 1.00 0.00 O ATOM 739 CB GLU A 49 5.363 10.987 5.217 1.00 0.00 C ATOM 740 CG GLU A 49 4.835 12.415 5.168 1.00 0.00 C ATOM 741 CD GLU A 49 5.133 13.200 6.414 1.00 0.00 C ATOM 742 OE1 GLU A 49 6.252 13.737 6.521 1.00 0.00 O ATOM 743 OE2 GLU A 49 4.251 13.319 7.299 1.00 0.00 O1- ATOM 0 H GLU A 49 3.197 10.125 4.252 1.00 0.00 H new ATOM 0 HA GLU A 49 5.698 10.919 3.138 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.820 10.429 5.979 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.411 11.001 5.518 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.271 12.927 4.311 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.757 12.391 5.010 1.00 0.00 H new ATOM 750 N LEU A 50 5.328 7.871 4.137 1.00 0.00 N ATOM 751 CA LEU A 50 5.969 6.585 4.076 1.00 0.00 C ATOM 752 C LEU A 50 6.145 6.243 2.645 1.00 0.00 C ATOM 753 O LEU A 50 7.166 5.738 2.216 1.00 0.00 O ATOM 754 CB LEU A 50 5.068 5.561 4.666 1.00 0.00 C ATOM 755 CG LEU A 50 5.606 4.145 4.679 1.00 0.00 C ATOM 756 CD1 LEU A 50 6.538 3.924 5.848 1.00 0.00 C ATOM 757 CD2 LEU A 50 4.498 3.145 4.651 1.00 0.00 C ATOM 0 H LEU A 50 4.348 7.849 4.420 1.00 0.00 H new ATOM 0 HA LEU A 50 6.918 6.611 4.611 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.838 5.853 5.691 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.128 5.568 4.114 1.00 0.00 H new ATOM 0 HG LEU A 50 6.191 4.001 3.771 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.908 2.899 5.830 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.379 4.614 5.778 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.001 4.100 6.780 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.916 2.138 4.661 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.862 3.282 5.525 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.906 3.283 3.746 1.00 0.00 H new ATOM 769 N GLY A 51 5.112 6.543 1.924 1.00 0.00 N ATOM 770 CA GLY A 51 5.081 6.315 0.513 1.00 0.00 C ATOM 771 C GLY A 51 6.132 7.067 -0.198 1.00 0.00 C ATOM 772 O GLY A 51 6.784 6.547 -1.077 1.00 0.00 O ATOM 0 H GLY A 51 4.259 6.957 2.300 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.203 5.250 0.316 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.105 6.601 0.122 1.00 0.00 H new ATOM 776 N ALA A 52 6.287 8.288 0.196 1.00 0.00 N ATOM 777 CA ALA A 52 7.289 9.157 -0.315 1.00 0.00 C ATOM 778 C ALA A 52 8.639 8.589 0.017 1.00 0.00 C ATOM 779 O ALA A 52 9.461 8.347 -0.872 1.00 0.00 O ATOM 780 CB ALA A 52 7.107 10.538 0.295 1.00 0.00 C ATOM 0 H ALA A 52 5.698 8.721 0.907 1.00 0.00 H new ATOM 0 HA ALA A 52 7.207 9.247 -1.398 1.00 0.00 H new ATOM 0 HB1 ALA A 52 7.872 11.211 -0.092 1.00 0.00 H new ATOM 0 HB2 ALA A 52 6.121 10.923 0.036 1.00 0.00 H new ATOM 0 HB3 ALA A 52 7.197 10.472 1.379 1.00 0.00 H new ATOM 786 N LEU A 53 8.833 8.281 1.283 1.00 0.00 N ATOM 787 CA LEU A 53 10.115 7.752 1.719 1.00 0.00 C ATOM 788 C LEU A 53 10.453 6.452 1.019 1.00 0.00 C ATOM 789 O LEU A 53 11.613 6.215 0.664 1.00 0.00 O ATOM 790 CB LEU A 53 10.197 7.580 3.226 1.00 0.00 C ATOM 791 CG LEU A 53 10.023 8.842 4.052 1.00 0.00 C ATOM 792 CD1 LEU A 53 10.150 8.520 5.523 1.00 0.00 C ATOM 793 CD2 LEU A 53 11.020 9.911 3.638 1.00 0.00 C ATOM 0 H LEU A 53 8.135 8.384 2.019 1.00 0.00 H new ATOM 0 HA LEU A 53 10.858 8.498 1.436 1.00 0.00 H new ATOM 0 HB2 LEU A 53 9.436 6.862 3.531 1.00 0.00 H new ATOM 0 HB3 LEU A 53 11.165 7.141 3.469 1.00 0.00 H new ATOM 0 HG LEU A 53 9.025 9.240 3.869 1.00 0.00 H new ATOM 0 HD11 LEU A 53 10.024 9.432 6.107 1.00 0.00 H new ATOM 0 HD12 LEU A 53 9.383 7.799 5.805 1.00 0.00 H new ATOM 0 HD13 LEU A 53 11.135 8.097 5.719 1.00 0.00 H new ATOM 0 HD21 LEU A 53 10.871 10.803 4.247 1.00 0.00 H new ATOM 0 HD22 LEU A 53 12.034 9.538 3.782 1.00 0.00 H new ATOM 0 HD23 LEU A 53 10.871 10.160 2.587 1.00 0.00 H new ATOM 805 N TYR A 54 9.474 5.619 0.768 1.00 0.00 N ATOM 806 CA TYR A 54 9.807 4.423 0.056 1.00 0.00 C ATOM 807 C TYR A 54 10.009 4.710 -1.414 1.00 0.00 C ATOM 808 O TYR A 54 11.070 4.491 -1.913 1.00 0.00 O ATOM 809 CB TYR A 54 8.888 3.212 0.346 1.00 0.00 C ATOM 810 CG TYR A 54 9.072 2.608 1.741 1.00 0.00 C ATOM 811 CD1 TYR A 54 9.170 3.401 2.879 1.00 0.00 C ATOM 812 CD2 TYR A 54 9.145 1.241 1.908 1.00 0.00 C ATOM 813 CE1 TYR A 54 9.337 2.842 4.127 1.00 0.00 C ATOM 814 CE2 TYR A 54 9.310 0.675 3.153 1.00 0.00 C ATOM 815 CZ TYR A 54 9.405 1.476 4.258 1.00 0.00 C ATOM 816 OH TYR A 54 9.562 0.914 5.504 1.00 0.00 O ATOM 0 H TYR A 54 8.496 5.738 1.030 1.00 0.00 H new ATOM 0 HA TYR A 54 10.765 4.087 0.454 1.00 0.00 H new ATOM 0 HB2 TYR A 54 7.849 3.522 0.230 1.00 0.00 H new ATOM 0 HB3 TYR A 54 9.076 2.440 -0.400 1.00 0.00 H new ATOM 0 HD1 TYR A 54 9.114 4.475 2.783 1.00 0.00 H new ATOM 0 HD2 TYR A 54 9.071 0.599 1.042 1.00 0.00 H new ATOM 0 HE1 TYR A 54 9.414 3.475 4.999 1.00 0.00 H new ATOM 0 HE2 TYR A 54 9.364 -0.399 3.257 1.00 0.00 H new ATOM 0 HH TYR A 54 10.180 0.156 5.445 1.00 0.00 H new ATOM 826 N ALA A 55 9.064 5.380 -2.032 1.00 0.00 N ATOM 827 CA ALA A 55 9.092 5.653 -3.474 1.00 0.00 C ATOM 828 C ALA A 55 9.942 6.899 -3.837 1.00 0.00 C ATOM 829 O ALA A 55 9.739 7.517 -4.898 1.00 0.00 O ATOM 830 CB ALA A 55 7.670 5.814 -3.997 1.00 0.00 C ATOM 0 H ALA A 55 8.244 5.758 -1.557 1.00 0.00 H new ATOM 0 HA ALA A 55 9.570 4.799 -3.953 1.00 0.00 H new ATOM 0 HB1 ALA A 55 7.697 6.016 -5.068 1.00 0.00 H new ATOM 0 HB2 ALA A 55 7.109 4.897 -3.815 1.00 0.00 H new ATOM 0 HB3 ALA A 55 7.185 6.644 -3.483 1.00 0.00 H new ATOM 836 N LYS A 56 10.875 7.274 -2.970 1.00 0.00 N ATOM 837 CA LYS A 56 11.781 8.389 -3.252 1.00 0.00 C ATOM 838 C LYS A 56 13.146 8.264 -2.574 1.00 0.00 C ATOM 839 O LYS A 56 14.144 8.728 -3.119 1.00 0.00 O ATOM 840 CB LYS A 56 11.136 9.696 -2.855 1.00 0.00 C ATOM 841 CG LYS A 56 10.949 10.658 -4.012 1.00 0.00 C ATOM 842 CD LYS A 56 9.826 11.641 -3.748 1.00 0.00 C ATOM 843 CE LYS A 56 8.474 10.928 -3.752 1.00 0.00 C ATOM 844 NZ LYS A 56 8.268 10.153 -5.006 1.00 0.00 N1+ ATOM 0 H LYS A 56 11.027 6.825 -2.067 1.00 0.00 H new ATOM 0 HA LYS A 56 11.964 8.363 -4.326 1.00 0.00 H new ATOM 0 HB2 LYS A 56 10.165 9.490 -2.404 1.00 0.00 H new ATOM 0 HB3 LYS A 56 11.747 10.175 -2.090 1.00 0.00 H new ATOM 0 HG2 LYS A 56 11.877 11.203 -4.185 1.00 0.00 H new ATOM 0 HG3 LYS A 56 10.735 10.096 -4.921 1.00 0.00 H new ATOM 0 HD2 LYS A 56 9.982 12.130 -2.787 1.00 0.00 H new ATOM 0 HD3 LYS A 56 9.833 12.422 -4.508 1.00 0.00 H new ATOM 0 HE2 LYS A 56 8.413 10.257 -2.895 1.00 0.00 H new ATOM 0 HE3 LYS A 56 7.675 11.661 -3.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.257 9.939 -5.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 8.597 10.713 -5.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 8.806 9.265 -4.957 1.00 0.00 H new ATOM 858 N SER A 57 13.215 7.645 -1.412 1.00 0.00 N ATOM 859 CA SER A 57 14.479 7.599 -0.700 1.00 0.00 C ATOM 860 C SER A 57 15.377 6.422 -1.104 1.00 0.00 C ATOM 861 O SER A 57 16.232 6.553 -1.992 1.00 0.00 O ATOM 862 CB SER A 57 14.248 7.572 0.792 1.00 0.00 C ATOM 863 OG SER A 57 13.438 8.668 1.215 1.00 0.00 O ATOM 0 H SER A 57 12.435 7.178 -0.950 1.00 0.00 H new ATOM 0 HA SER A 57 15.009 8.509 -0.983 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.767 6.634 1.070 1.00 0.00 H new ATOM 0 HB3 SER A 57 15.206 7.605 1.310 1.00 0.00 H new ATOM 0 HG SER A 57 13.305 8.621 2.185 1.00 0.00 H new ATOM 869 N GLU A 58 15.167 5.267 -0.476 1.00 0.00 N ATOM 870 CA GLU A 58 16.072 4.136 -0.648 1.00 0.00 C ATOM 871 C GLU A 58 15.384 2.921 -1.204 1.00 0.00 C ATOM 872 O GLU A 58 16.025 1.917 -1.501 1.00 0.00 O ATOM 873 CB GLU A 58 16.699 3.779 0.685 1.00 0.00 C ATOM 874 CG GLU A 58 17.547 4.875 1.284 1.00 0.00 C ATOM 875 CD GLU A 58 18.053 4.494 2.634 1.00 0.00 C ATOM 876 OE1 GLU A 58 18.924 3.600 2.728 1.00 0.00 O ATOM 877 OE2 GLU A 58 17.569 5.052 3.637 1.00 0.00 O1- ATOM 0 H GLU A 58 14.383 5.091 0.152 1.00 0.00 H new ATOM 0 HA GLU A 58 16.832 4.443 -1.366 1.00 0.00 H new ATOM 0 HB2 GLU A 58 15.907 3.522 1.389 1.00 0.00 H new ATOM 0 HB3 GLU A 58 17.314 2.888 0.557 1.00 0.00 H new ATOM 0 HG2 GLU A 58 18.389 5.088 0.625 1.00 0.00 H new ATOM 0 HG3 GLU A 58 16.961 5.791 1.358 1.00 0.00 H new ATOM 884 N PHE A 59 14.092 2.998 -1.351 1.00 0.00 N ATOM 885 CA PHE A 59 13.336 1.840 -1.839 1.00 0.00 C ATOM 886 C PHE A 59 12.531 2.280 -3.011 1.00 0.00 C ATOM 887 O PHE A 59 11.560 1.656 -3.386 1.00 0.00 O ATOM 888 CB PHE A 59 12.385 1.306 -0.768 1.00 0.00 C ATOM 889 CG PHE A 59 13.020 1.114 0.591 1.00 0.00 C ATOM 890 CD1 PHE A 59 13.817 0.009 0.847 1.00 0.00 C ATOM 891 CD2 PHE A 59 12.828 2.046 1.602 1.00 0.00 C ATOM 892 CE1 PHE A 59 14.409 -0.161 2.083 1.00 0.00 C ATOM 893 CE2 PHE A 59 13.418 1.878 2.841 1.00 0.00 C ATOM 894 CZ PHE A 59 14.209 0.774 3.082 1.00 0.00 C ATOM 0 H PHE A 59 13.533 3.827 -1.149 1.00 0.00 H new ATOM 0 HA PHE A 59 14.034 1.046 -2.104 1.00 0.00 H new ATOM 0 HB2 PHE A 59 11.545 1.994 -0.669 1.00 0.00 H new ATOM 0 HB3 PHE A 59 11.978 0.352 -1.104 1.00 0.00 H new ATOM 0 HD1 PHE A 59 13.977 -0.726 0.072 1.00 0.00 H new ATOM 0 HD2 PHE A 59 12.210 2.913 1.418 1.00 0.00 H new ATOM 0 HE1 PHE A 59 15.029 -1.025 2.270 1.00 0.00 H new ATOM 0 HE2 PHE A 59 13.260 2.610 3.619 1.00 0.00 H new ATOM 0 HZ PHE A 59 14.671 0.640 4.049 1.00 0.00 H new ATOM 904 N LYS A 60 12.995 3.339 -3.626 1.00 0.00 N ATOM 905 CA LYS A 60 12.268 4.023 -4.684 1.00 0.00 C ATOM 906 C LYS A 60 12.197 3.210 -5.947 1.00 0.00 C ATOM 907 O LYS A 60 11.383 3.475 -6.837 1.00 0.00 O ATOM 908 CB LYS A 60 12.875 5.385 -4.932 1.00 0.00 C ATOM 909 CG LYS A 60 14.347 5.328 -5.148 1.00 0.00 C ATOM 910 CD LYS A 60 14.924 6.641 -5.610 1.00 0.00 C ATOM 911 CE LYS A 60 16.403 6.506 -5.914 1.00 0.00 C ATOM 912 NZ LYS A 60 16.668 5.711 -7.135 1.00 0.00 N1+ ATOM 0 H LYS A 60 13.898 3.761 -3.409 1.00 0.00 H new ATOM 0 HA LYS A 60 11.239 4.155 -4.351 1.00 0.00 H new ATOM 0 HB2 LYS A 60 12.401 5.836 -5.804 1.00 0.00 H new ATOM 0 HB3 LYS A 60 12.662 6.033 -4.082 1.00 0.00 H new ATOM 0 HG2 LYS A 60 14.834 5.030 -4.220 1.00 0.00 H new ATOM 0 HG3 LYS A 60 14.571 4.559 -5.887 1.00 0.00 H new ATOM 0 HD2 LYS A 60 14.395 6.982 -6.500 1.00 0.00 H new ATOM 0 HD3 LYS A 60 14.775 7.399 -4.841 1.00 0.00 H new ATOM 0 HE2 LYS A 60 16.837 7.499 -6.031 1.00 0.00 H new ATOM 0 HE3 LYS A 60 16.902 6.038 -5.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 17.687 5.722 -7.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 16.356 4.730 -6.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 16.147 6.122 -7.936 1.00 0.00 H new ATOM 926 N ASP A 61 13.025 2.216 -6.011 1.00 0.00 N ATOM 927 CA ASP A 61 13.046 1.309 -7.119 1.00 0.00 C ATOM 928 C ASP A 61 12.673 -0.049 -6.606 1.00 0.00 C ATOM 929 O ASP A 61 12.889 -1.075 -7.264 1.00 0.00 O ATOM 930 CB ASP A 61 14.432 1.266 -7.788 1.00 0.00 C ATOM 931 CG ASP A 61 14.826 2.564 -8.449 1.00 0.00 C ATOM 932 OD1 ASP A 61 14.516 2.767 -9.644 1.00 0.00 O ATOM 933 OD2 ASP A 61 15.474 3.403 -7.805 1.00 0.00 O1- ATOM 0 H ASP A 61 13.714 2.007 -5.288 1.00 0.00 H new ATOM 0 HA ASP A 61 12.338 1.643 -7.877 1.00 0.00 H new ATOM 0 HB2 ASP A 61 15.180 1.009 -7.038 1.00 0.00 H new ATOM 0 HB3 ASP A 61 14.441 0.471 -8.534 1.00 0.00 H new ATOM 938 N ARG A 62 12.107 -0.079 -5.413 1.00 0.00 N ATOM 939 CA ARG A 62 11.732 -1.304 -4.849 1.00 0.00 C ATOM 940 C ARG A 62 10.310 -1.243 -4.309 1.00 0.00 C ATOM 941 O ARG A 62 9.386 -1.126 -5.092 1.00 0.00 O ATOM 942 CB ARG A 62 12.759 -1.770 -3.819 1.00 0.00 C ATOM 943 CG ARG A 62 12.784 -3.264 -3.635 1.00 0.00 C ATOM 944 CD ARG A 62 13.584 -3.998 -4.745 1.00 0.00 C ATOM 945 NE ARG A 62 13.195 -3.662 -6.142 1.00 0.00 N ATOM 946 CZ ARG A 62 13.188 -4.523 -7.184 1.00 0.00 C ATOM 947 NH1 ARG A 62 13.352 -5.823 -6.994 1.00 0.00 N1+ ATOM 948 NH2 ARG A 62 12.994 -4.065 -8.414 1.00 0.00 N ATOM 0 H ARG A 62 11.910 0.742 -4.841 1.00 0.00 H new ATOM 0 HA ARG A 62 11.724 -2.065 -5.630 1.00 0.00 H new ATOM 0 HB2 ARG A 62 13.749 -1.432 -4.125 1.00 0.00 H new ATOM 0 HB3 ARG A 62 12.543 -1.297 -2.861 1.00 0.00 H new ATOM 0 HG2 ARG A 62 13.221 -3.498 -2.664 1.00 0.00 H new ATOM 0 HG3 ARG A 62 11.761 -3.640 -3.623 1.00 0.00 H new ATOM 0 HD2 ARG A 62 14.642 -3.771 -4.616 1.00 0.00 H new ATOM 0 HD3 ARG A 62 13.468 -5.072 -4.602 1.00 0.00 H new ATOM 0 HE ARG A 62 12.910 -2.701 -6.329 1.00 0.00 H new ATOM 0 HH11 ARG A 62 13.486 -6.188 -6.051 1.00 0.00 H new ATOM 0 HH12 ARG A 62 13.344 -6.460 -7.791 1.00 0.00 H new ATOM 0 HH21 ARG A 62 12.851 -3.067 -8.570 1.00 0.00 H new ATOM 0 HH22 ARG A 62 12.988 -4.711 -9.204 1.00 0.00 H new ATOM 962 N VAL A 63 10.155 -1.278 -2.999 1.00 0.00 N ATOM 963 CA VAL A 63 8.846 -1.284 -2.339 1.00 0.00 C ATOM 964 C VAL A 63 7.996 -0.106 -2.763 1.00 0.00 C ATOM 965 O VAL A 63 8.427 1.049 -2.708 1.00 0.00 O ATOM 966 CB VAL A 63 8.985 -1.240 -0.814 1.00 0.00 C ATOM 967 CG1 VAL A 63 7.639 -1.214 -0.106 1.00 0.00 C ATOM 968 CG2 VAL A 63 9.850 -2.354 -0.305 1.00 0.00 C ATOM 0 H VAL A 63 10.939 -1.304 -2.348 1.00 0.00 H new ATOM 0 HA VAL A 63 8.363 -2.213 -2.642 1.00 0.00 H new ATOM 0 HB VAL A 63 9.482 -0.299 -0.576 1.00 0.00 H new ATOM 0 HG11 VAL A 63 7.796 -1.183 0.972 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.081 -0.331 -0.417 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.074 -2.110 -0.365 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.925 -2.290 0.781 1.00 0.00 H new ATOM 0 HG22 VAL A 63 9.410 -3.312 -0.582 1.00 0.00 H new ATOM 0 HG23 VAL A 63 10.845 -2.271 -0.743 1.00 0.00 H new ATOM 978 N VAL A 64 6.799 -0.401 -3.152 1.00 0.00 N ATOM 979 CA VAL A 64 5.886 0.597 -3.577 1.00 0.00 C ATOM 980 C VAL A 64 4.737 0.655 -2.608 1.00 0.00 C ATOM 981 O VAL A 64 4.110 -0.367 -2.303 1.00 0.00 O ATOM 982 CB VAL A 64 5.357 0.320 -5.014 1.00 0.00 C ATOM 983 CG1 VAL A 64 4.351 1.378 -5.451 1.00 0.00 C ATOM 984 CG2 VAL A 64 6.509 0.270 -5.992 1.00 0.00 C ATOM 0 H VAL A 64 6.428 -1.351 -3.182 1.00 0.00 H new ATOM 0 HA VAL A 64 6.408 1.554 -3.600 1.00 0.00 H new ATOM 0 HB VAL A 64 4.849 -0.644 -5.002 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.002 1.154 -6.459 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.504 1.379 -4.766 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.827 2.359 -5.441 1.00 0.00 H new ATOM 0 HG21 VAL A 64 6.127 0.076 -6.994 1.00 0.00 H new ATOM 0 HG22 VAL A 64 7.036 1.224 -5.983 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.196 -0.526 -5.705 1.00 0.00 H new ATOM 994 N ILE A 65 4.504 1.809 -2.068 1.00 0.00 N ATOM 995 CA ILE A 65 3.358 2.005 -1.252 1.00 0.00 C ATOM 996 C ILE A 65 2.274 2.438 -2.220 1.00 0.00 C ATOM 997 O ILE A 65 2.453 3.423 -2.947 1.00 0.00 O ATOM 998 CB ILE A 65 3.622 3.096 -0.166 1.00 0.00 C ATOM 999 CG1 ILE A 65 4.892 2.759 0.646 1.00 0.00 C ATOM 1000 CG2 ILE A 65 2.429 3.237 0.778 1.00 0.00 C ATOM 1001 CD1 ILE A 65 4.812 1.466 1.433 1.00 0.00 C ATOM 0 H ILE A 65 5.098 2.631 -2.181 1.00 0.00 H new ATOM 0 HA ILE A 65 3.081 1.106 -0.702 1.00 0.00 H new ATOM 0 HB ILE A 65 3.769 4.045 -0.682 1.00 0.00 H new ATOM 0 HG12 ILE A 65 5.740 2.702 -0.037 1.00 0.00 H new ATOM 0 HG13 ILE A 65 5.094 3.578 1.337 1.00 0.00 H new ATOM 0 HG21 ILE A 65 2.643 4.004 1.523 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.545 3.522 0.207 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.247 2.286 1.278 1.00 0.00 H new ATOM 0 HD11 ILE A 65 5.746 1.310 1.972 1.00 0.00 H new ATOM 0 HD12 ILE A 65 3.988 1.523 2.144 1.00 0.00 H new ATOM 0 HD13 ILE A 65 4.644 0.634 0.749 1.00 0.00 H new ATOM 1013 N ALA A 66 1.232 1.669 -2.311 1.00 0.00 N ATOM 1014 CA ALA A 66 0.148 1.926 -3.273 1.00 0.00 C ATOM 1015 C ALA A 66 -1.235 1.992 -2.603 1.00 0.00 C ATOM 1016 O ALA A 66 -1.397 1.598 -1.453 1.00 0.00 O ATOM 1017 CB ALA A 66 0.154 0.844 -4.348 1.00 0.00 C ATOM 0 H ALA A 66 1.088 0.842 -1.732 1.00 0.00 H new ATOM 0 HA ALA A 66 0.332 2.903 -3.720 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.649 1.034 -5.060 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.111 0.854 -4.869 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.004 -0.131 -3.884 1.00 0.00 H new ATOM 1023 N LYS A 67 -2.236 2.501 -3.326 1.00 0.00 N ATOM 1024 CA LYS A 67 -3.582 2.554 -2.809 1.00 0.00 C ATOM 1025 C LYS A 67 -4.584 2.596 -3.933 1.00 0.00 C ATOM 1026 O LYS A 67 -4.319 3.196 -4.969 1.00 0.00 O ATOM 1027 CB LYS A 67 -3.796 3.719 -1.817 1.00 0.00 C ATOM 1028 CG LYS A 67 -3.544 5.141 -2.332 1.00 0.00 C ATOM 1029 CD LYS A 67 -4.012 6.174 -1.288 1.00 0.00 C ATOM 1030 CE LYS A 67 -3.282 6.011 0.041 1.00 0.00 C ATOM 1031 NZ LYS A 67 -3.932 6.742 1.152 1.00 0.00 N1+ ATOM 0 H LYS A 67 -2.128 2.878 -4.267 1.00 0.00 H new ATOM 0 HA LYS A 67 -3.741 1.638 -2.240 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -4.823 3.669 -1.456 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -3.147 3.552 -0.957 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -2.483 5.278 -2.540 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -4.075 5.295 -3.271 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -3.845 7.180 -1.673 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.085 6.068 -1.128 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -3.229 4.952 0.292 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -2.257 6.364 -0.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -3.431 6.540 2.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -3.899 7.764 0.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -4.923 6.437 1.236 1.00 0.00 H new ATOM 1045 N VAL A 68 -5.707 1.962 -3.724 1.00 0.00 N ATOM 1046 CA VAL A 68 -6.765 1.886 -4.710 1.00 0.00 C ATOM 1047 C VAL A 68 -8.047 2.351 -4.055 1.00 0.00 C ATOM 1048 O VAL A 68 -8.262 2.134 -2.848 1.00 0.00 O ATOM 1049 CB VAL A 68 -6.964 0.422 -5.259 1.00 0.00 C ATOM 1050 CG1 VAL A 68 -7.365 -0.503 -4.133 1.00 0.00 C ATOM 1051 CG2 VAL A 68 -8.043 0.382 -6.350 1.00 0.00 C ATOM 0 H VAL A 68 -5.921 1.475 -2.853 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.496 2.516 -5.558 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.017 0.095 -5.689 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.500 -1.512 -4.522 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.585 -0.509 -3.372 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.299 -0.156 -3.692 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.159 -0.640 -6.710 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.990 0.731 -5.938 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.748 1.027 -7.178 1.00 0.00 H new ATOM 1061 N ASP A 69 -8.877 2.985 -4.801 1.00 0.00 N ATOM 1062 CA ASP A 69 -10.115 3.441 -4.264 1.00 0.00 C ATOM 1063 C ASP A 69 -11.117 2.325 -4.438 1.00 0.00 C ATOM 1064 O ASP A 69 -11.504 2.031 -5.536 1.00 0.00 O ATOM 1065 CB ASP A 69 -10.600 4.682 -4.988 1.00 0.00 C ATOM 1066 CG ASP A 69 -11.768 5.292 -4.293 1.00 0.00 C ATOM 1067 OD1 ASP A 69 -12.779 4.641 -4.189 1.00 0.00 O ATOM 1068 OD2 ASP A 69 -11.681 6.461 -3.869 1.00 0.00 O1- ATOM 0 H ASP A 69 -8.725 3.202 -5.786 1.00 0.00 H new ATOM 0 HA ASP A 69 -9.991 3.702 -3.213 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -9.790 5.409 -5.050 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -10.876 4.425 -6.011 1.00 0.00 H new ATOM 1073 N ALA A 70 -11.541 1.738 -3.360 1.00 0.00 N ATOM 1074 CA ALA A 70 -12.417 0.571 -3.394 1.00 0.00 C ATOM 1075 C ALA A 70 -13.853 0.931 -3.778 1.00 0.00 C ATOM 1076 O ALA A 70 -14.656 0.050 -4.134 1.00 0.00 O ATOM 1077 CB ALA A 70 -12.404 -0.099 -2.039 1.00 0.00 C ATOM 0 H ALA A 70 -11.296 2.045 -2.419 1.00 0.00 H new ATOM 0 HA ALA A 70 -12.039 -0.107 -4.160 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -13.057 -0.972 -2.058 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -11.388 -0.411 -1.797 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -12.758 0.602 -1.283 1.00 0.00 H new ATOM 1083 N THR A 71 -14.169 2.200 -3.726 1.00 0.00 N ATOM 1084 CA THR A 71 -15.529 2.642 -3.967 1.00 0.00 C ATOM 1085 C THR A 71 -15.657 3.352 -5.317 1.00 0.00 C ATOM 1086 O THR A 71 -16.763 3.725 -5.748 1.00 0.00 O ATOM 1087 CB THR A 71 -16.053 3.528 -2.792 1.00 0.00 C ATOM 1088 OG1 THR A 71 -17.426 3.898 -2.972 1.00 0.00 O ATOM 1089 CG2 THR A 71 -15.212 4.766 -2.596 1.00 0.00 C ATOM 0 H THR A 71 -13.508 2.949 -3.520 1.00 0.00 H new ATOM 0 HA THR A 71 -16.162 1.756 -4.011 1.00 0.00 H new ATOM 0 HB THR A 71 -15.975 2.915 -1.894 1.00 0.00 H new ATOM 0 HG1 THR A 71 -17.652 3.862 -3.925 1.00 0.00 H new ATOM 0 HG21 THR A 71 -15.614 5.351 -1.769 1.00 0.00 H new ATOM 0 HG22 THR A 71 -14.185 4.477 -2.371 1.00 0.00 H new ATOM 0 HG23 THR A 71 -15.229 5.365 -3.506 1.00 0.00 H new ATOM 1097 N ALA A 72 -14.543 3.558 -5.957 1.00 0.00 N ATOM 1098 CA ALA A 72 -14.504 4.115 -7.271 1.00 0.00 C ATOM 1099 C ALA A 72 -14.010 3.063 -8.198 1.00 0.00 C ATOM 1100 O ALA A 72 -14.619 2.787 -9.241 1.00 0.00 O ATOM 1101 CB ALA A 72 -13.593 5.324 -7.328 1.00 0.00 C ATOM 0 H ALA A 72 -13.624 3.339 -5.572 1.00 0.00 H new ATOM 0 HA ALA A 72 -15.503 4.445 -7.557 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -13.584 5.726 -8.341 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -13.956 6.086 -6.639 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -12.582 5.031 -7.045 1.00 0.00 H new ATOM 1107 N ASN A 73 -12.934 2.438 -7.799 1.00 0.00 N ATOM 1108 CA ASN A 73 -12.332 1.405 -8.576 1.00 0.00 C ATOM 1109 C ASN A 73 -12.777 0.105 -7.955 1.00 0.00 C ATOM 1110 O ASN A 73 -12.278 -0.290 -6.905 1.00 0.00 O ATOM 1111 CB ASN A 73 -10.773 1.440 -8.554 1.00 0.00 C ATOM 1112 CG ASN A 73 -10.068 2.801 -8.340 1.00 0.00 C ATOM 1113 OD1 ASN A 73 -9.011 2.871 -7.737 1.00 0.00 O ATOM 1114 ND2 ASN A 73 -10.576 3.848 -8.844 1.00 0.00 N ATOM 0 H ASN A 73 -12.454 2.637 -6.921 1.00 0.00 H new ATOM 0 HA ASN A 73 -12.634 1.528 -9.616 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -10.437 0.765 -7.766 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -10.419 1.028 -9.499 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -10.100 4.745 -8.744 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -11.460 3.793 -9.349 1.00 0.00 H new ATOM 1121 N ASP A 74 -13.739 -0.527 -8.548 1.00 0.00 N ATOM 1122 CA ASP A 74 -14.263 -1.765 -8.007 1.00 0.00 C ATOM 1123 C ASP A 74 -13.232 -2.865 -8.084 1.00 0.00 C ATOM 1124 O ASP A 74 -12.782 -3.240 -9.167 1.00 0.00 O ATOM 1125 CB ASP A 74 -15.529 -2.187 -8.712 1.00 0.00 C ATOM 1126 CG ASP A 74 -16.056 -3.487 -8.177 1.00 0.00 C ATOM 1127 OD1 ASP A 74 -16.624 -3.495 -7.066 1.00 0.00 O1- ATOM 1128 OD2 ASP A 74 -15.909 -4.527 -8.852 1.00 0.00 O ATOM 0 H ASP A 74 -14.186 -0.215 -9.410 1.00 0.00 H new ATOM 0 HA ASP A 74 -14.505 -1.584 -6.960 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -16.286 -1.412 -8.595 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -15.335 -2.285 -9.780 1.00 0.00 H new ATOM 1133 N VAL A 75 -12.843 -3.349 -6.943 1.00 0.00 N ATOM 1134 CA VAL A 75 -11.836 -4.376 -6.846 1.00 0.00 C ATOM 1135 C VAL A 75 -12.484 -5.751 -6.659 1.00 0.00 C ATOM 1136 O VAL A 75 -13.593 -5.852 -6.125 1.00 0.00 O ATOM 1137 CB VAL A 75 -10.834 -4.084 -5.689 1.00 0.00 C ATOM 1138 CG1 VAL A 75 -10.117 -2.759 -5.931 1.00 0.00 C ATOM 1139 CG2 VAL A 75 -11.539 -4.072 -4.332 1.00 0.00 C ATOM 0 H VAL A 75 -13.215 -3.044 -6.044 1.00 0.00 H new ATOM 0 HA VAL A 75 -11.275 -4.378 -7.781 1.00 0.00 H new ATOM 0 HB VAL A 75 -10.096 -4.886 -5.673 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -9.420 -2.568 -5.115 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -9.569 -2.808 -6.872 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -10.849 -1.953 -5.979 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -10.812 -3.866 -3.546 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -12.307 -3.299 -4.328 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -12.001 -5.043 -4.153 1.00 0.00 H new ATOM 1149 N PRO A 76 -11.836 -6.819 -7.144 1.00 0.00 N ATOM 1150 CA PRO A 76 -12.344 -8.199 -7.008 1.00 0.00 C ATOM 1151 C PRO A 76 -11.847 -8.879 -5.721 1.00 0.00 C ATOM 1152 O PRO A 76 -12.220 -10.018 -5.415 1.00 0.00 O ATOM 1153 CB PRO A 76 -11.704 -8.871 -8.213 1.00 0.00 C ATOM 1154 CG PRO A 76 -10.356 -8.230 -8.285 1.00 0.00 C ATOM 1155 CD PRO A 76 -10.577 -6.784 -7.942 1.00 0.00 C ATOM 0 HA PRO A 76 -13.432 -8.250 -6.960 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -11.630 -9.950 -8.080 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -12.280 -8.700 -9.122 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -9.662 -8.697 -7.586 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -9.925 -8.335 -9.280 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -9.746 -6.374 -7.368 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -10.682 -6.168 -8.835 1.00 0.00 H new ATOM 1163 N ASP A 77 -10.995 -8.176 -5.008 1.00 0.00 N ATOM 1164 CA ASP A 77 -10.350 -8.671 -3.796 1.00 0.00 C ATOM 1165 C ASP A 77 -11.339 -8.820 -2.648 1.00 0.00 C ATOM 1166 O ASP A 77 -12.278 -8.032 -2.532 1.00 0.00 O ATOM 1167 CB ASP A 77 -9.224 -7.729 -3.396 1.00 0.00 C ATOM 1168 CG ASP A 77 -8.486 -8.202 -2.175 1.00 0.00 C ATOM 1169 OD1 ASP A 77 -7.788 -9.226 -2.248 1.00 0.00 O ATOM 1170 OD2 ASP A 77 -8.573 -7.575 -1.139 1.00 0.00 O1- ATOM 0 H ASP A 77 -10.721 -7.225 -5.253 1.00 0.00 H new ATOM 0 HA ASP A 77 -9.946 -9.660 -4.010 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -8.523 -7.632 -4.225 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -9.634 -6.737 -3.207 1.00 0.00 H new ATOM 1175 N GLU A 78 -11.136 -9.833 -1.825 1.00 0.00 N ATOM 1176 CA GLU A 78 -12.000 -10.091 -0.701 1.00 0.00 C ATOM 1177 C GLU A 78 -11.527 -9.272 0.505 1.00 0.00 C ATOM 1178 O GLU A 78 -10.432 -9.493 1.056 1.00 0.00 O ATOM 1179 CB GLU A 78 -12.021 -11.583 -0.381 1.00 0.00 C ATOM 1180 CG GLU A 78 -13.017 -11.977 0.694 1.00 0.00 C ATOM 1181 CD GLU A 78 -12.960 -13.444 0.999 1.00 0.00 C ATOM 1182 OE1 GLU A 78 -12.157 -13.850 1.873 1.00 0.00 O1- ATOM 1183 OE2 GLU A 78 -13.684 -14.230 0.376 1.00 0.00 O ATOM 0 H GLU A 78 -10.367 -10.496 -1.922 1.00 0.00 H new ATOM 0 HA GLU A 78 -13.018 -9.790 -0.948 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -12.251 -12.135 -1.292 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -11.024 -11.889 -0.066 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -12.814 -11.409 1.602 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -14.024 -11.712 0.371 1.00 0.00 H new ATOM 1190 N ILE A 79 -12.347 -8.342 0.882 1.00 0.00 N ATOM 1191 CA ILE A 79 -12.069 -7.391 1.930 1.00 0.00 C ATOM 1192 C ILE A 79 -12.882 -7.732 3.193 1.00 0.00 C ATOM 1193 O ILE A 79 -13.994 -8.229 3.096 1.00 0.00 O ATOM 1194 CB ILE A 79 -12.380 -5.965 1.372 1.00 0.00 C ATOM 1195 CG1 ILE A 79 -11.370 -5.614 0.267 1.00 0.00 C ATOM 1196 CG2 ILE A 79 -12.429 -4.898 2.439 1.00 0.00 C ATOM 1197 CD1 ILE A 79 -11.548 -4.243 -0.330 1.00 0.00 C ATOM 0 H ILE A 79 -13.265 -8.213 0.457 1.00 0.00 H new ATOM 0 HA ILE A 79 -11.022 -7.427 2.230 1.00 0.00 H new ATOM 0 HB ILE A 79 -13.385 -5.992 0.951 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -10.362 -5.690 0.676 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -11.448 -6.356 -0.528 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -12.649 -3.934 1.980 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -13.207 -5.142 3.162 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -11.466 -4.846 2.946 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -10.794 -4.081 -1.100 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -12.541 -4.165 -0.773 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -11.438 -3.489 0.450 1.00 0.00 H new ATOM 1209 N GLN A 80 -12.301 -7.497 4.379 1.00 0.00 N ATOM 1210 CA GLN A 80 -12.971 -7.848 5.663 1.00 0.00 C ATOM 1211 C GLN A 80 -13.985 -6.795 6.061 1.00 0.00 C ATOM 1212 O GLN A 80 -14.826 -7.001 6.930 1.00 0.00 O ATOM 1213 CB GLN A 80 -11.972 -8.034 6.821 1.00 0.00 C ATOM 1214 CG GLN A 80 -10.914 -9.109 6.606 1.00 0.00 C ATOM 1215 CD GLN A 80 -9.806 -8.713 5.642 1.00 0.00 C ATOM 1216 OE1 GLN A 80 -9.443 -7.447 5.624 1.00 0.00 O flip ATOM 1217 NE2 GLN A 80 -9.250 -9.551 4.942 1.00 0.00 N flip ATOM 0 H GLN A 80 -11.380 -7.071 4.487 1.00 0.00 H new ATOM 0 HA GLN A 80 -13.474 -8.798 5.484 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -11.469 -7.084 7.000 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -12.531 -8.274 7.725 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -10.469 -9.362 7.568 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -11.400 -10.011 6.232 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -9.551 -10.525 4.976 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -8.486 -9.275 4.326 1.00 0.00 H new ATOM 1226 N GLY A 81 -13.856 -5.672 5.465 1.00 0.00 N ATOM 1227 CA GLY A 81 -14.780 -4.582 5.696 1.00 0.00 C ATOM 1228 C GLY A 81 -14.986 -3.830 4.430 1.00 0.00 C ATOM 1229 O GLY A 81 -15.558 -4.365 3.473 1.00 0.00 O ATOM 0 H GLY A 81 -13.113 -5.462 4.799 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -15.732 -4.969 6.061 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -14.390 -3.917 6.467 1.00 0.00 H new ATOM 1233 N PHE A 82 -14.522 -2.620 4.383 1.00 0.00 N ATOM 1234 CA PHE A 82 -14.522 -1.907 3.141 1.00 0.00 C ATOM 1235 C PHE A 82 -13.107 -1.452 2.792 1.00 0.00 C ATOM 1236 O PHE A 82 -12.633 -1.743 1.702 1.00 0.00 O ATOM 1237 CB PHE A 82 -15.559 -0.784 3.055 1.00 0.00 C ATOM 1238 CG PHE A 82 -15.703 -0.277 1.664 1.00 0.00 C ATOM 1239 CD1 PHE A 82 -16.471 -0.985 0.763 1.00 0.00 C ATOM 1240 CD2 PHE A 82 -15.076 0.891 1.246 1.00 0.00 C ATOM 1241 CE1 PHE A 82 -16.626 -0.550 -0.528 1.00 0.00 C ATOM 1242 CE2 PHE A 82 -15.227 1.330 -0.048 1.00 0.00 C ATOM 1243 CZ PHE A 82 -16.007 0.605 -0.937 1.00 0.00 C ATOM 0 H PHE A 82 -14.142 -2.109 5.180 1.00 0.00 H new ATOM 0 HA PHE A 82 -14.850 -2.609 2.375 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -16.522 -1.149 3.411 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -15.265 0.034 3.713 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -16.958 -1.896 1.079 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -14.469 1.455 1.939 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -17.233 -1.114 -1.221 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -14.739 2.238 -0.372 1.00 0.00 H new ATOM 0 HZ PHE A 82 -16.128 0.950 -1.953 1.00 0.00 H new ATOM 1253 N PRO A 83 -12.390 -0.716 3.672 1.00 0.00 N ATOM 1254 CA PRO A 83 -11.003 -0.455 3.447 1.00 0.00 C ATOM 1255 C PRO A 83 -10.161 -1.541 4.059 1.00 0.00 C ATOM 1256 O PRO A 83 -10.584 -2.209 5.016 1.00 0.00 O ATOM 1257 CB PRO A 83 -10.748 0.872 4.138 1.00 0.00 C ATOM 1258 CG PRO A 83 -12.061 1.279 4.729 1.00 0.00 C ATOM 1259 CD PRO A 83 -12.838 0.007 4.864 1.00 0.00 C ATOM 0 HA PRO A 83 -10.751 -0.424 2.387 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -9.985 0.771 4.910 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -10.388 1.619 3.431 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -11.925 1.763 5.696 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -12.579 1.991 4.087 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -12.601 -0.526 5.784 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -13.914 0.178 4.863 1.00 0.00 H new ATOM 1267 N THR A 84 -8.999 -1.719 3.542 1.00 0.00 N ATOM 1268 CA THR A 84 -8.121 -2.795 3.952 1.00 0.00 C ATOM 1269 C THR A 84 -6.724 -2.527 3.423 1.00 0.00 C ATOM 1270 O THR A 84 -6.572 -1.962 2.362 1.00 0.00 O ATOM 1271 CB THR A 84 -8.670 -4.186 3.419 1.00 0.00 C ATOM 1272 OG1 THR A 84 -9.840 -4.580 4.149 1.00 0.00 O ATOM 1273 CG2 THR A 84 -7.651 -5.304 3.484 1.00 0.00 C ATOM 0 H THR A 84 -8.611 -1.123 2.811 1.00 0.00 H new ATOM 0 HA THR A 84 -8.085 -2.844 5.040 1.00 0.00 H new ATOM 0 HB THR A 84 -8.910 -4.024 2.368 1.00 0.00 H new ATOM 0 HG1 THR A 84 -10.043 -3.906 4.831 1.00 0.00 H new ATOM 0 HG21 THR A 84 -8.095 -6.224 3.104 1.00 0.00 H new ATOM 0 HG22 THR A 84 -6.784 -5.042 2.877 1.00 0.00 H new ATOM 0 HG23 THR A 84 -7.339 -5.452 4.518 1.00 0.00 H new ATOM 1281 N ILE A 85 -5.735 -2.860 4.178 1.00 0.00 N ATOM 1282 CA ILE A 85 -4.390 -2.757 3.720 1.00 0.00 C ATOM 1283 C ILE A 85 -3.895 -4.153 3.434 1.00 0.00 C ATOM 1284 O ILE A 85 -4.150 -5.049 4.187 1.00 0.00 O ATOM 1285 CB ILE A 85 -3.466 -2.028 4.739 1.00 0.00 C ATOM 1286 CG1 ILE A 85 -3.913 -0.567 4.900 1.00 0.00 C ATOM 1287 CG2 ILE A 85 -1.992 -2.108 4.327 1.00 0.00 C ATOM 1288 CD1 ILE A 85 -3.001 0.260 5.772 1.00 0.00 C ATOM 0 H ILE A 85 -5.834 -3.212 5.130 1.00 0.00 H new ATOM 0 HA ILE A 85 -4.364 -2.148 2.816 1.00 0.00 H new ATOM 0 HB ILE A 85 -3.557 -2.534 5.700 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -3.974 -0.105 3.914 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -4.918 -0.549 5.323 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -1.380 -1.588 5.063 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -1.685 -3.153 4.273 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.861 -1.641 3.351 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -3.384 1.278 5.836 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -2.959 -0.175 6.770 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.000 0.275 5.340 1.00 0.00 H new ATOM 1300 N LYS A 86 -3.276 -4.340 2.327 1.00 0.00 N ATOM 1301 CA LYS A 86 -2.745 -5.623 1.954 1.00 0.00 C ATOM 1302 C LYS A 86 -1.377 -5.474 1.393 1.00 0.00 C ATOM 1303 O LYS A 86 -1.159 -4.734 0.456 1.00 0.00 O ATOM 1304 CB LYS A 86 -3.652 -6.393 0.979 1.00 0.00 C ATOM 1305 CG LYS A 86 -4.890 -6.986 1.627 1.00 0.00 C ATOM 1306 CD LYS A 86 -5.681 -7.877 0.693 1.00 0.00 C ATOM 1307 CE LYS A 86 -6.904 -8.446 1.412 1.00 0.00 C ATOM 1308 NZ LYS A 86 -7.653 -9.388 0.582 1.00 0.00 N1+ ATOM 0 H LYS A 86 -3.115 -3.605 1.638 1.00 0.00 H new ATOM 0 HA LYS A 86 -2.698 -6.219 2.865 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -3.960 -5.721 0.178 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -3.075 -7.195 0.519 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -4.593 -7.562 2.504 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.531 -6.178 1.978 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -5.997 -7.309 -0.182 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -5.050 -8.690 0.334 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -6.584 -8.947 2.326 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -7.560 -7.628 1.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -8.656 -9.371 0.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -7.562 -9.118 -0.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -7.274 -10.347 0.717 1.00 0.00 H new ATOM 1322 N LEU A 87 -0.464 -6.156 1.969 1.00 0.00 N ATOM 1323 CA LEU A 87 0.892 -6.097 1.541 1.00 0.00 C ATOM 1324 C LEU A 87 1.122 -7.286 0.668 1.00 0.00 C ATOM 1325 O LEU A 87 0.962 -8.412 1.131 1.00 0.00 O ATOM 1326 CB LEU A 87 1.790 -6.129 2.801 1.00 0.00 C ATOM 1327 CG LEU A 87 3.377 -5.967 2.692 1.00 0.00 C ATOM 1328 CD1 LEU A 87 4.034 -7.197 2.146 1.00 0.00 C ATOM 1329 CD2 LEU A 87 3.741 -4.785 1.818 1.00 0.00 C ATOM 0 H LEU A 87 -0.631 -6.779 2.759 1.00 0.00 H new ATOM 0 HA LEU A 87 1.123 -5.191 0.981 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.435 -5.341 3.465 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.601 -7.078 3.303 1.00 0.00 H new ATOM 0 HG LEU A 87 3.741 -5.802 3.706 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.111 -7.040 2.090 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.824 -8.043 2.801 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.646 -7.405 1.149 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.826 -4.696 1.760 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.335 -4.934 0.817 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.325 -3.873 2.247 1.00 0.00 H new ATOM 1341 N TYR A 88 1.394 -7.046 -0.581 1.00 0.00 N ATOM 1342 CA TYR A 88 1.778 -8.086 -1.493 1.00 0.00 C ATOM 1343 C TYR A 88 3.283 -8.102 -1.548 1.00 0.00 C ATOM 1344 O TYR A 88 3.883 -7.242 -2.178 1.00 0.00 O ATOM 1345 CB TYR A 88 1.224 -7.877 -2.918 1.00 0.00 C ATOM 1346 CG TYR A 88 -0.260 -8.067 -3.093 1.00 0.00 C ATOM 1347 CD1 TYR A 88 -1.193 -7.181 -2.566 1.00 0.00 C ATOM 1348 CD2 TYR A 88 -0.722 -9.139 -3.811 1.00 0.00 C ATOM 1349 CE1 TYR A 88 -2.550 -7.392 -2.760 1.00 0.00 C ATOM 1350 CE2 TYR A 88 -2.053 -9.351 -4.009 1.00 0.00 C ATOM 1351 CZ TYR A 88 -2.962 -8.489 -3.491 1.00 0.00 C ATOM 1352 OH TYR A 88 -4.293 -8.748 -3.680 1.00 0.00 O ATOM 0 H TYR A 88 1.356 -6.117 -1.000 1.00 0.00 H new ATOM 0 HA TYR A 88 1.365 -9.028 -1.133 1.00 0.00 H new ATOM 0 HB2 TYR A 88 1.480 -6.867 -3.239 1.00 0.00 H new ATOM 0 HB3 TYR A 88 1.738 -8.565 -3.589 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -0.859 -6.323 -2.002 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -0.011 -9.835 -4.231 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -3.275 -6.708 -2.345 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -2.384 -10.206 -4.579 1.00 0.00 H new ATOM 0 HH TYR A 88 -4.395 -9.560 -4.220 1.00 0.00 H new ATOM 1362 N PRO A 89 3.926 -9.000 -0.798 1.00 0.00 N ATOM 1363 CA PRO A 89 5.350 -9.112 -0.821 1.00 0.00 C ATOM 1364 C PRO A 89 5.797 -9.630 -2.112 1.00 0.00 C ATOM 1365 O PRO A 89 5.043 -10.363 -2.805 1.00 0.00 O ATOM 1366 CB PRO A 89 5.670 -10.200 0.182 1.00 0.00 C ATOM 1367 CG PRO A 89 4.401 -10.890 0.450 1.00 0.00 C ATOM 1368 CD PRO A 89 3.325 -9.929 0.146 1.00 0.00 C ATOM 0 HA PRO A 89 5.815 -8.147 -0.622 1.00 0.00 H new ATOM 0 HB2 PRO A 89 6.413 -10.891 -0.216 1.00 0.00 H new ATOM 0 HB3 PRO A 89 6.085 -9.777 1.097 1.00 0.00 H new ATOM 0 HG2 PRO A 89 4.308 -11.783 -0.168 1.00 0.00 H new ATOM 0 HG3 PRO A 89 4.348 -11.214 1.489 1.00 0.00 H new ATOM 0 HD2 PRO A 89 2.457 -10.428 -0.285 1.00 0.00 H new ATOM 0 HD3 PRO A 89 2.984 -9.417 1.046 1.00 0.00 H new ATOM 1376 N ALA A 90 7.009 -9.381 -2.423 1.00 0.00 N ATOM 1377 CA ALA A 90 7.538 -9.963 -3.584 1.00 0.00 C ATOM 1378 C ALA A 90 7.961 -11.368 -3.248 1.00 0.00 C ATOM 1379 O ALA A 90 9.127 -11.651 -2.979 1.00 0.00 O ATOM 1380 CB ALA A 90 8.693 -9.159 -4.123 1.00 0.00 C ATOM 0 H ALA A 90 7.646 -8.784 -1.895 1.00 0.00 H new ATOM 0 HA ALA A 90 6.781 -9.980 -4.368 1.00 0.00 H new ATOM 0 HB1 ALA A 90 9.080 -9.637 -5.023 1.00 0.00 H new ATOM 0 HB2 ALA A 90 8.354 -8.152 -4.364 1.00 0.00 H new ATOM 0 HB3 ALA A 90 9.481 -9.106 -3.372 1.00 0.00 H new ATOM 1386 N GLY A 91 6.972 -12.216 -3.174 1.00 0.00 N ATOM 1387 CA GLY A 91 7.189 -13.622 -3.004 1.00 0.00 C ATOM 1388 C GLY A 91 5.962 -14.291 -2.475 1.00 0.00 C ATOM 1389 O GLY A 91 5.644 -15.405 -2.846 1.00 0.00 O ATOM 0 H GLY A 91 5.990 -11.948 -3.230 1.00 0.00 H new ATOM 0 HA2 GLY A 91 7.469 -14.069 -3.958 1.00 0.00 H new ATOM 0 HA3 GLY A 91 8.021 -13.785 -2.319 1.00 0.00 H new ATOM 1393 N ALA A 92 5.231 -13.586 -1.645 1.00 0.00 N ATOM 1394 CA ALA A 92 4.030 -14.155 -1.044 1.00 0.00 C ATOM 1395 C ALA A 92 2.812 -13.314 -1.417 1.00 0.00 C ATOM 1396 O ALA A 92 1.854 -13.190 -0.668 1.00 0.00 O ATOM 1397 CB ALA A 92 4.197 -14.304 0.473 1.00 0.00 C ATOM 0 H ALA A 92 5.437 -12.626 -1.367 1.00 0.00 H new ATOM 0 HA ALA A 92 3.870 -15.158 -1.440 1.00 0.00 H new ATOM 0 HB1 ALA A 92 3.289 -14.730 0.899 1.00 0.00 H new ATOM 0 HB2 ALA A 92 5.040 -14.962 0.683 1.00 0.00 H new ATOM 0 HB3 ALA A 92 4.381 -13.326 0.917 1.00 0.00 H new ATOM 1403 N LYS A 93 2.849 -12.812 -2.642 1.00 0.00 N ATOM 1404 CA LYS A 93 1.798 -11.966 -3.259 1.00 0.00 C ATOM 1405 C LYS A 93 0.473 -12.755 -3.497 1.00 0.00 C ATOM 1406 O LYS A 93 -0.498 -12.224 -4.031 1.00 0.00 O ATOM 1407 CB LYS A 93 2.316 -11.363 -4.608 1.00 0.00 C ATOM 1408 CG LYS A 93 2.587 -12.352 -5.770 1.00 0.00 C ATOM 1409 CD LYS A 93 3.721 -13.338 -5.479 1.00 0.00 C ATOM 1410 CE LYS A 93 4.051 -14.200 -6.687 1.00 0.00 C ATOM 1411 NZ LYS A 93 2.886 -14.957 -7.181 1.00 0.00 N1+ ATOM 0 H LYS A 93 3.635 -12.980 -3.270 1.00 0.00 H new ATOM 0 HA LYS A 93 1.576 -11.159 -2.560 1.00 0.00 H new ATOM 0 HB2 LYS A 93 1.587 -10.630 -4.952 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.240 -10.822 -4.403 1.00 0.00 H new ATOM 0 HG2 LYS A 93 1.675 -12.911 -5.981 1.00 0.00 H new ATOM 0 HG3 LYS A 93 2.830 -11.786 -6.669 1.00 0.00 H new ATOM 0 HD2 LYS A 93 4.610 -12.787 -5.173 1.00 0.00 H new ATOM 0 HD3 LYS A 93 3.439 -13.978 -4.643 1.00 0.00 H new ATOM 0 HE2 LYS A 93 4.433 -13.566 -7.487 1.00 0.00 H new ATOM 0 HE3 LYS A 93 4.847 -14.897 -6.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 3.193 -15.627 -7.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 2.453 -15.480 -6.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 2.189 -14.298 -7.584 1.00 0.00 H new ATOM 1425 N GLY A 94 0.451 -14.000 -3.081 1.00 0.00 N ATOM 1426 CA GLY A 94 -0.711 -14.835 -3.225 1.00 0.00 C ATOM 1427 C GLY A 94 -1.397 -14.993 -1.892 1.00 0.00 C ATOM 1428 O GLY A 94 -2.547 -15.432 -1.812 1.00 0.00 O ATOM 0 H GLY A 94 1.243 -14.460 -2.632 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -1.398 -14.395 -3.948 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -0.422 -15.812 -3.613 1.00 0.00 H new ATOM 1432 N GLN A 95 -0.696 -14.598 -0.842 1.00 0.00 N ATOM 1433 CA GLN A 95 -1.192 -14.628 0.504 1.00 0.00 C ATOM 1434 C GLN A 95 -0.801 -13.308 1.275 1.00 0.00 C ATOM 1435 O GLN A 95 -0.181 -13.358 2.354 1.00 0.00 O ATOM 1436 CB GLN A 95 -0.634 -15.866 1.176 1.00 0.00 C ATOM 1437 CG GLN A 95 0.887 -15.900 1.276 1.00 0.00 C ATOM 1438 CD GLN A 95 1.423 -17.155 1.922 1.00 0.00 C ATOM 1439 OE1 GLN A 95 0.763 -18.269 1.728 1.00 0.00 O flip ATOM 1440 NE2 GLN A 95 2.456 -17.119 2.579 1.00 0.00 N flip ATOM 0 H GLN A 95 0.256 -14.240 -0.915 1.00 0.00 H new ATOM 0 HA GLN A 95 -2.281 -14.674 0.511 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -1.053 -15.939 2.179 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -0.969 -16.745 0.625 1.00 0.00 H new ATOM 0 HG2 GLN A 95 1.311 -15.807 0.276 1.00 0.00 H new ATOM 0 HG3 GLN A 95 1.225 -15.035 1.847 1.00 0.00 H new ATOM 0 HE21 GLN A 95 2.946 -16.234 2.711 1.00 0.00 H new ATOM 0 HE22 GLN A 95 2.826 -17.974 2.994 1.00 0.00 H new ATOM 1449 N PRO A 96 -1.163 -12.111 0.699 1.00 0.00 N ATOM 1450 CA PRO A 96 -0.901 -10.772 1.282 1.00 0.00 C ATOM 1451 C PRO A 96 -1.209 -10.642 2.760 1.00 0.00 C ATOM 1452 O PRO A 96 -2.018 -11.413 3.329 1.00 0.00 O ATOM 1453 CB PRO A 96 -1.908 -9.924 0.550 1.00 0.00 C ATOM 1454 CG PRO A 96 -1.930 -10.490 -0.793 1.00 0.00 C ATOM 1455 CD PRO A 96 -1.832 -11.963 -0.606 1.00 0.00 C ATOM 0 HA PRO A 96 0.154 -10.517 1.185 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -2.890 -9.973 1.021 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -1.613 -8.875 0.537 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -2.847 -10.221 -1.317 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -1.100 -10.114 -1.391 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -2.816 -12.432 -0.606 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -1.256 -12.430 -1.405 1.00 0.00 H new ATOM 1463 N VAL A 97 -0.637 -9.632 3.397 1.00 0.00 N ATOM 1464 CA VAL A 97 -0.914 -9.447 4.749 1.00 0.00 C ATOM 1465 C VAL A 97 -2.031 -8.467 4.820 1.00 0.00 C ATOM 1466 O VAL A 97 -1.836 -7.272 4.570 1.00 0.00 O ATOM 1467 CB VAL A 97 0.298 -8.950 5.528 1.00 0.00 C ATOM 1468 CG1 VAL A 97 -0.012 -8.928 7.018 1.00 0.00 C ATOM 1469 CG2 VAL A 97 1.507 -9.830 5.230 1.00 0.00 C ATOM 0 H VAL A 97 0.005 -8.958 2.980 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.185 -10.397 5.209 1.00 0.00 H new ATOM 0 HB VAL A 97 0.534 -7.933 5.216 1.00 0.00 H new ATOM 0 HG11 VAL A 97 0.860 -8.571 7.566 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.855 -8.262 7.205 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -0.264 -9.934 7.352 1.00 0.00 H new ATOM 0 HG21 VAL A 97 2.368 -9.467 5.791 1.00 0.00 H new ATOM 0 HG22 VAL A 97 1.290 -10.857 5.522 1.00 0.00 H new ATOM 0 HG23 VAL A 97 1.728 -9.795 4.163 1.00 0.00 H new ATOM 1479 N THR A 98 -3.201 -9.004 4.984 1.00 0.00 N ATOM 1480 CA THR A 98 -4.386 -8.236 5.099 1.00 0.00 C ATOM 1481 C THR A 98 -4.430 -7.564 6.464 1.00 0.00 C ATOM 1482 O THR A 98 -4.117 -8.166 7.500 1.00 0.00 O ATOM 1483 CB THR A 98 -5.648 -9.095 4.809 1.00 0.00 C ATOM 1484 OG1 THR A 98 -6.820 -8.289 4.771 1.00 0.00 O ATOM 1485 CG2 THR A 98 -5.829 -10.210 5.822 1.00 0.00 C ATOM 0 H THR A 98 -3.354 -10.011 5.042 1.00 0.00 H new ATOM 0 HA THR A 98 -4.380 -7.451 4.343 1.00 0.00 H new ATOM 0 HB THR A 98 -5.493 -9.550 3.830 1.00 0.00 H new ATOM 0 HG1 THR A 98 -6.974 -7.894 5.654 1.00 0.00 H new ATOM 0 HG21 THR A 98 -6.724 -10.782 5.577 1.00 0.00 H new ATOM 0 HG22 THR A 98 -4.960 -10.868 5.798 1.00 0.00 H new ATOM 0 HG23 THR A 98 -5.933 -9.782 6.819 1.00 0.00 H new ATOM 1493 N TYR A 99 -4.725 -6.320 6.433 1.00 0.00 N ATOM 1494 CA TYR A 99 -4.708 -5.480 7.560 1.00 0.00 C ATOM 1495 C TYR A 99 -5.868 -4.502 7.502 1.00 0.00 C ATOM 1496 O TYR A 99 -6.492 -4.326 6.450 1.00 0.00 O ATOM 1497 CB TYR A 99 -3.404 -4.714 7.512 1.00 0.00 C ATOM 1498 CG TYR A 99 -2.550 -4.906 8.712 1.00 0.00 C ATOM 1499 CD1 TYR A 99 -2.671 -4.075 9.807 1.00 0.00 C ATOM 1500 CD2 TYR A 99 -1.612 -5.932 8.752 1.00 0.00 C ATOM 1501 CE1 TYR A 99 -1.885 -4.248 10.913 1.00 0.00 C ATOM 1502 CE2 TYR A 99 -0.814 -6.115 9.864 1.00 0.00 C ATOM 1503 CZ TYR A 99 -0.956 -5.264 10.942 1.00 0.00 C ATOM 1504 OH TYR A 99 -0.172 -5.438 12.067 1.00 0.00 O ATOM 0 H TYR A 99 -4.998 -5.839 5.576 1.00 0.00 H new ATOM 0 HA TYR A 99 -4.798 -6.062 8.477 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -2.846 -5.021 6.628 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -3.622 -3.652 7.399 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -3.397 -3.276 9.790 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -1.507 -6.593 7.904 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -1.993 -3.589 11.762 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -0.088 -6.914 9.890 1.00 0.00 H new ATOM 0 HH TYR A 99 0.432 -6.197 11.930 1.00 0.00 H new ATOM 1514 N SER A 100 -6.159 -3.886 8.609 1.00 0.00 N ATOM 1515 CA SER A 100 -7.152 -2.859 8.676 1.00 0.00 C ATOM 1516 C SER A 100 -6.498 -1.506 8.344 1.00 0.00 C ATOM 1517 O SER A 100 -6.739 -0.917 7.290 1.00 0.00 O ATOM 1518 CB SER A 100 -7.737 -2.861 10.085 1.00 0.00 C ATOM 1519 OG SER A 100 -6.681 -2.872 11.051 1.00 0.00 O ATOM 0 H SER A 100 -5.707 -4.086 9.501 1.00 0.00 H new ATOM 0 HA SER A 100 -7.953 -3.033 7.957 1.00 0.00 H new ATOM 0 HB2 SER A 100 -8.364 -1.981 10.229 1.00 0.00 H new ATOM 0 HB3 SER A 100 -8.376 -3.734 10.222 1.00 0.00 H new ATOM 0 HG SER A 100 -7.063 -2.871 11.953 1.00 0.00 H new ATOM 1525 N GLY A 101 -5.650 -1.066 9.243 1.00 0.00 N ATOM 1526 CA GLY A 101 -4.912 0.146 9.099 1.00 0.00 C ATOM 1527 C GLY A 101 -4.062 0.362 10.321 1.00 0.00 C ATOM 1528 O GLY A 101 -4.559 0.251 11.440 1.00 0.00 O ATOM 0 H GLY A 101 -5.456 -1.561 10.114 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -4.284 0.099 8.209 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -5.594 0.986 8.964 1.00 0.00 H new ATOM 1532 N SER A 102 -2.784 0.618 10.128 1.00 0.00 N ATOM 1533 CA SER A 102 -1.869 0.828 11.231 1.00 0.00 C ATOM 1534 C SER A 102 -2.132 2.165 11.904 1.00 0.00 C ATOM 1535 O SER A 102 -2.024 2.286 13.118 1.00 0.00 O ATOM 1536 CB SER A 102 -0.449 0.799 10.709 1.00 0.00 C ATOM 1537 OG SER A 102 -0.214 -0.386 9.970 1.00 0.00 O ATOM 0 H SER A 102 -2.352 0.686 9.206 1.00 0.00 H new ATOM 0 HA SER A 102 -2.017 0.036 11.965 1.00 0.00 H new ATOM 0 HB2 SER A 102 -0.270 1.669 10.078 1.00 0.00 H new ATOM 0 HB3 SER A 102 0.252 0.860 11.542 1.00 0.00 H new ATOM 0 HG SER A 102 0.469 -0.924 10.423 1.00 0.00 H new ATOM 1543 N ARG A 103 -2.472 3.163 11.078 1.00 0.00 N ATOM 1544 CA ARG A 103 -2.727 4.549 11.511 1.00 0.00 C ATOM 1545 C ARG A 103 -1.464 5.203 12.048 1.00 0.00 C ATOM 1546 O ARG A 103 -1.514 6.261 12.646 1.00 0.00 O ATOM 1547 CB ARG A 103 -3.878 4.649 12.526 1.00 0.00 C ATOM 1548 CG ARG A 103 -5.206 4.116 12.014 1.00 0.00 C ATOM 1549 CD ARG A 103 -6.312 4.267 13.048 1.00 0.00 C ATOM 1550 NE ARG A 103 -6.585 5.675 13.363 1.00 0.00 N ATOM 1551 CZ ARG A 103 -7.769 6.158 13.741 1.00 0.00 C ATOM 1552 NH1 ARG A 103 -8.786 5.339 13.970 1.00 0.00 N1+ ATOM 1553 NH2 ARG A 103 -7.919 7.449 13.937 1.00 0.00 N ATOM 0 H ARG A 103 -2.580 3.031 10.072 1.00 0.00 H new ATOM 0 HA ARG A 103 -3.042 5.098 10.623 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -3.602 4.101 13.427 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -4.004 5.693 12.814 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -5.484 4.647 11.104 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -5.098 3.064 11.749 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -7.222 3.796 12.676 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -6.030 3.740 13.960 1.00 0.00 H new ATOM 0 HE ARG A 103 -5.810 6.334 13.287 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -8.666 4.332 13.857 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -9.689 5.715 14.259 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -7.130 8.081 13.800 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -8.824 7.819 14.226 1.00 0.00 H new ATOM 1567 N THR A 104 -0.341 4.620 11.727 1.00 0.00 N ATOM 1568 CA THR A 104 0.942 5.091 12.188 1.00 0.00 C ATOM 1569 C THR A 104 2.009 4.741 11.131 1.00 0.00 C ATOM 1570 O THR A 104 1.755 3.885 10.275 1.00 0.00 O ATOM 1571 CB THR A 104 1.288 4.469 13.578 1.00 0.00 C ATOM 1572 OG1 THR A 104 2.501 5.024 14.079 1.00 0.00 O ATOM 1573 CG2 THR A 104 1.423 2.962 13.494 1.00 0.00 C ATOM 0 H THR A 104 -0.288 3.794 11.131 1.00 0.00 H new ATOM 0 HA THR A 104 0.915 6.173 12.319 1.00 0.00 H new ATOM 0 HB THR A 104 0.468 4.705 14.256 1.00 0.00 H new ATOM 0 HG1 THR A 104 2.684 4.659 14.970 1.00 0.00 H new ATOM 0 HG21 THR A 104 1.664 2.563 14.479 1.00 0.00 H new ATOM 0 HG22 THR A 104 0.483 2.531 13.148 1.00 0.00 H new ATOM 0 HG23 THR A 104 2.219 2.706 12.794 1.00 0.00 H new ATOM 1581 N VAL A 105 3.171 5.400 11.178 1.00 0.00 N ATOM 1582 CA VAL A 105 4.238 5.181 10.187 1.00 0.00 C ATOM 1583 C VAL A 105 5.111 4.010 10.614 1.00 0.00 C ATOM 1584 O VAL A 105 5.443 3.143 9.812 1.00 0.00 O ATOM 1585 CB VAL A 105 5.173 6.433 10.022 1.00 0.00 C ATOM 1586 CG1 VAL A 105 6.234 6.176 8.968 1.00 0.00 C ATOM 1587 CG2 VAL A 105 4.401 7.694 9.674 1.00 0.00 C ATOM 0 H VAL A 105 3.400 6.092 11.892 1.00 0.00 H new ATOM 0 HA VAL A 105 3.741 4.984 9.237 1.00 0.00 H new ATOM 0 HB VAL A 105 5.650 6.594 10.989 1.00 0.00 H new ATOM 0 HG11 VAL A 105 6.870 7.056 8.870 1.00 0.00 H new ATOM 0 HG12 VAL A 105 6.841 5.320 9.264 1.00 0.00 H new ATOM 0 HG13 VAL A 105 5.754 5.967 8.012 1.00 0.00 H new ATOM 0 HG21 VAL A 105 5.095 8.529 9.571 1.00 0.00 H new ATOM 0 HG22 VAL A 105 3.869 7.547 8.734 1.00 0.00 H new ATOM 0 HG23 VAL A 105 3.685 7.913 10.466 1.00 0.00 H new ATOM 1597 N GLU A 106 5.431 3.984 11.892 1.00 0.00 N ATOM 1598 CA GLU A 106 6.303 3.083 12.505 1.00 0.00 C ATOM 1599 C GLU A 106 5.916 1.603 12.242 1.00 0.00 C ATOM 1600 O GLU A 106 6.766 0.760 11.946 1.00 0.00 O ATOM 1601 CB GLU A 106 6.225 3.455 13.971 1.00 0.00 C ATOM 1602 CG GLU A 106 4.938 3.046 14.681 1.00 0.00 C ATOM 1603 CD GLU A 106 4.815 3.567 16.074 1.00 0.00 C ATOM 1604 OE1 GLU A 106 5.671 3.257 16.917 1.00 0.00 O ATOM 1605 OE2 GLU A 106 3.819 4.248 16.370 1.00 0.00 O1- ATOM 0 H GLU A 106 5.042 4.656 12.554 1.00 0.00 H new ATOM 0 HA GLU A 106 7.317 3.151 12.111 1.00 0.00 H new ATOM 0 HB2 GLU A 106 7.068 2.998 14.490 1.00 0.00 H new ATOM 0 HB3 GLU A 106 6.343 4.535 14.061 1.00 0.00 H new ATOM 0 HG2 GLU A 106 4.087 3.397 14.097 1.00 0.00 H new ATOM 0 HG3 GLU A 106 4.880 1.958 14.706 1.00 0.00 H new ATOM 1612 N ASP A 107 4.629 1.335 12.260 1.00 0.00 N ATOM 1613 CA ASP A 107 4.119 -0.023 12.100 1.00 0.00 C ATOM 1614 C ASP A 107 4.099 -0.382 10.645 1.00 0.00 C ATOM 1615 O ASP A 107 4.191 -1.531 10.286 1.00 0.00 O ATOM 1616 CB ASP A 107 2.724 -0.162 12.732 1.00 0.00 C ATOM 1617 CG ASP A 107 2.104 -1.546 12.586 1.00 0.00 C ATOM 1618 OD1 ASP A 107 2.601 -2.509 13.213 1.00 0.00 O ATOM 1619 OD2 ASP A 107 1.078 -1.677 11.900 1.00 0.00 O1- ATOM 0 H ASP A 107 3.905 2.042 12.385 1.00 0.00 H new ATOM 0 HA ASP A 107 4.779 -0.717 12.620 1.00 0.00 H new ATOM 0 HB2 ASP A 107 2.792 0.083 13.792 1.00 0.00 H new ATOM 0 HB3 ASP A 107 2.058 0.571 12.278 1.00 0.00 H new ATOM 1624 N LEU A 108 4.052 0.632 9.811 1.00 0.00 N ATOM 1625 CA LEU A 108 4.076 0.454 8.383 1.00 0.00 C ATOM 1626 C LEU A 108 5.440 0.096 7.894 1.00 0.00 C ATOM 1627 O LEU A 108 5.580 -0.760 7.037 1.00 0.00 O ATOM 1628 CB LEU A 108 3.574 1.672 7.678 1.00 0.00 C ATOM 1629 CG LEU A 108 2.070 1.781 7.538 1.00 0.00 C ATOM 1630 CD1 LEU A 108 1.695 3.082 6.852 1.00 0.00 C ATOM 1631 CD2 LEU A 108 1.554 0.584 6.752 1.00 0.00 C ATOM 0 H LEU A 108 3.996 1.606 10.109 1.00 0.00 H new ATOM 0 HA LEU A 108 3.409 -0.377 8.154 1.00 0.00 H new ATOM 0 HB2 LEU A 108 3.935 2.552 8.211 1.00 0.00 H new ATOM 0 HB3 LEU A 108 4.015 1.700 6.682 1.00 0.00 H new ATOM 0 HG LEU A 108 1.611 1.782 8.526 1.00 0.00 H new ATOM 0 HD11 LEU A 108 0.611 3.145 6.759 1.00 0.00 H new ATOM 0 HD12 LEU A 108 2.058 3.923 7.443 1.00 0.00 H new ATOM 0 HD13 LEU A 108 2.147 3.114 5.860 1.00 0.00 H new ATOM 0 HD21 LEU A 108 0.471 0.656 6.648 1.00 0.00 H new ATOM 0 HD22 LEU A 108 2.014 0.572 5.764 1.00 0.00 H new ATOM 0 HD23 LEU A 108 1.807 -0.335 7.281 1.00 0.00 H new ATOM 1643 N ILE A 109 6.435 0.738 8.428 1.00 0.00 N ATOM 1644 CA ILE A 109 7.804 0.397 8.121 1.00 0.00 C ATOM 1645 C ILE A 109 8.019 -1.065 8.503 1.00 0.00 C ATOM 1646 O ILE A 109 8.354 -1.909 7.666 1.00 0.00 O ATOM 1647 CB ILE A 109 8.728 1.284 8.954 1.00 0.00 C ATOM 1648 CG1 ILE A 109 8.523 2.742 8.570 1.00 0.00 C ATOM 1649 CG2 ILE A 109 10.201 0.877 8.792 1.00 0.00 C ATOM 1650 CD1 ILE A 109 9.051 3.709 9.586 1.00 0.00 C ATOM 0 H ILE A 109 6.329 1.510 9.086 1.00 0.00 H new ATOM 0 HA ILE A 109 8.017 0.545 7.062 1.00 0.00 H new ATOM 0 HB ILE A 109 8.473 1.153 10.006 1.00 0.00 H new ATOM 0 HG12 ILE A 109 9.011 2.930 7.614 1.00 0.00 H new ATOM 0 HG13 ILE A 109 7.458 2.925 8.425 1.00 0.00 H new ATOM 0 HG21 ILE A 109 10.828 1.530 9.399 1.00 0.00 H new ATOM 0 HG22 ILE A 109 10.331 -0.155 9.117 1.00 0.00 H new ATOM 0 HG23 ILE A 109 10.490 0.967 7.745 1.00 0.00 H new ATOM 0 HD11 ILE A 109 8.870 4.729 9.246 1.00 0.00 H new ATOM 0 HD12 ILE A 109 8.545 3.549 10.538 1.00 0.00 H new ATOM 0 HD13 ILE A 109 10.122 3.554 9.714 1.00 0.00 H new ATOM 1662 N LYS A 110 7.641 -1.371 9.743 1.00 0.00 N ATOM 1663 CA LYS A 110 7.808 -2.661 10.328 1.00 0.00 C ATOM 1664 C LYS A 110 6.939 -3.682 9.599 1.00 0.00 C ATOM 1665 O LYS A 110 7.226 -4.873 9.585 1.00 0.00 O ATOM 1666 CB LYS A 110 7.420 -2.560 11.802 1.00 0.00 C ATOM 1667 CG LYS A 110 7.820 -3.736 12.646 1.00 0.00 C ATOM 1668 CD LYS A 110 9.308 -3.979 12.529 1.00 0.00 C ATOM 1669 CE LYS A 110 9.767 -4.967 13.543 1.00 0.00 C ATOM 1670 NZ LYS A 110 11.166 -5.362 13.324 1.00 0.00 N1+ ATOM 0 H LYS A 110 7.200 -0.697 10.369 1.00 0.00 H new ATOM 0 HA LYS A 110 8.843 -2.993 10.243 1.00 0.00 H new ATOM 0 HB2 LYS A 110 7.873 -1.661 12.220 1.00 0.00 H new ATOM 0 HB3 LYS A 110 6.339 -2.434 11.870 1.00 0.00 H new ATOM 0 HG2 LYS A 110 7.555 -3.553 13.687 1.00 0.00 H new ATOM 0 HG3 LYS A 110 7.273 -4.624 12.329 1.00 0.00 H new ATOM 0 HD2 LYS A 110 9.543 -4.343 11.529 1.00 0.00 H new ATOM 0 HD3 LYS A 110 9.845 -3.040 12.661 1.00 0.00 H new ATOM 0 HE2 LYS A 110 9.661 -4.540 14.540 1.00 0.00 H new ATOM 0 HE3 LYS A 110 9.129 -5.850 13.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 11.471 -5.998 14.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 11.249 -5.853 12.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 11.769 -4.515 13.318 1.00 0.00 H new ATOM 1684 N PHE A 111 5.930 -3.184 8.930 1.00 0.00 N ATOM 1685 CA PHE A 111 5.002 -3.986 8.220 1.00 0.00 C ATOM 1686 C PHE A 111 5.723 -4.583 7.079 1.00 0.00 C ATOM 1687 O PHE A 111 6.020 -5.731 7.092 1.00 0.00 O ATOM 1688 CB PHE A 111 3.930 -3.103 7.712 1.00 0.00 C ATOM 1689 CG PHE A 111 2.635 -3.713 7.256 1.00 0.00 C ATOM 1690 CD1 PHE A 111 2.606 -4.833 6.456 1.00 0.00 C ATOM 1691 CD2 PHE A 111 1.443 -3.107 7.590 1.00 0.00 C ATOM 1692 CE1 PHE A 111 1.421 -5.341 6.005 1.00 0.00 C ATOM 1693 CE2 PHE A 111 0.252 -3.612 7.143 1.00 0.00 C ATOM 1694 CZ PHE A 111 0.241 -4.734 6.344 1.00 0.00 C ATOM 0 H PHE A 111 5.738 -2.184 8.871 1.00 0.00 H new ATOM 0 HA PHE A 111 4.573 -4.764 8.851 1.00 0.00 H new ATOM 0 HB2 PHE A 111 3.696 -2.385 8.498 1.00 0.00 H new ATOM 0 HB3 PHE A 111 4.339 -2.537 6.875 1.00 0.00 H new ATOM 0 HD1 PHE A 111 3.532 -5.316 6.181 1.00 0.00 H new ATOM 0 HD2 PHE A 111 1.449 -2.224 8.211 1.00 0.00 H new ATOM 0 HE1 PHE A 111 1.415 -6.222 5.381 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -0.676 -3.132 7.416 1.00 0.00 H new ATOM 0 HZ PHE A 111 -0.696 -5.134 5.986 1.00 0.00 H new ATOM 1704 N ILE A 112 6.146 -3.753 6.173 1.00 0.00 N ATOM 1705 CA ILE A 112 6.820 -4.193 4.958 1.00 0.00 C ATOM 1706 C ILE A 112 8.185 -4.785 5.336 1.00 0.00 C ATOM 1707 O ILE A 112 8.816 -5.509 4.585 1.00 0.00 O ATOM 1708 CB ILE A 112 7.024 -2.993 4.016 1.00 0.00 C ATOM 1709 CG1 ILE A 112 5.728 -2.203 3.895 1.00 0.00 C ATOM 1710 CG2 ILE A 112 7.435 -3.477 2.639 1.00 0.00 C ATOM 1711 CD1 ILE A 112 5.931 -0.724 4.028 1.00 0.00 C ATOM 0 H ILE A 112 6.039 -2.741 6.244 1.00 0.00 H new ATOM 0 HA ILE A 112 6.215 -4.946 4.452 1.00 0.00 H new ATOM 0 HB ILE A 112 7.807 -2.356 4.428 1.00 0.00 H new ATOM 0 HG12 ILE A 112 5.267 -2.416 2.930 1.00 0.00 H new ATOM 0 HG13 ILE A 112 5.031 -2.539 4.662 1.00 0.00 H new ATOM 0 HG21 ILE A 112 7.577 -2.621 1.980 1.00 0.00 H new ATOM 0 HG22 ILE A 112 8.368 -4.036 2.713 1.00 0.00 H new ATOM 0 HG23 ILE A 112 6.656 -4.122 2.233 1.00 0.00 H new ATOM 0 HD11 ILE A 112 4.972 -0.215 3.933 1.00 0.00 H new ATOM 0 HD12 ILE A 112 6.364 -0.502 5.003 1.00 0.00 H new ATOM 0 HD13 ILE A 112 6.605 -0.377 3.244 1.00 0.00 H new ATOM 1723 N ALA A 113 8.560 -4.558 6.544 1.00 0.00 N ATOM 1724 CA ALA A 113 9.863 -4.993 7.018 1.00 0.00 C ATOM 1725 C ALA A 113 9.829 -6.399 7.553 1.00 0.00 C ATOM 1726 O ALA A 113 10.856 -7.043 7.651 1.00 0.00 O ATOM 1727 CB ALA A 113 10.436 -4.063 8.051 1.00 0.00 C ATOM 0 H ALA A 113 7.994 -4.073 7.240 1.00 0.00 H new ATOM 0 HA ALA A 113 10.518 -4.973 6.147 1.00 0.00 H new ATOM 0 HB1 ALA A 113 11.410 -4.432 8.373 1.00 0.00 H new ATOM 0 HB2 ALA A 113 10.549 -3.068 7.622 1.00 0.00 H new ATOM 0 HB3 ALA A 113 9.765 -4.014 8.909 1.00 0.00 H new ATOM 1733 N GLU A 114 8.669 -6.862 7.942 1.00 0.00 N ATOM 1734 CA GLU A 114 8.547 -8.216 8.443 1.00 0.00 C ATOM 1735 C GLU A 114 7.696 -9.009 7.509 1.00 0.00 C ATOM 1736 O GLU A 114 7.928 -10.193 7.251 1.00 0.00 O ATOM 1737 CB GLU A 114 7.873 -8.170 9.777 1.00 0.00 C ATOM 1738 CG GLU A 114 8.613 -7.352 10.787 1.00 0.00 C ATOM 1739 CD GLU A 114 9.874 -8.000 11.298 1.00 0.00 C ATOM 1740 OE1 GLU A 114 9.901 -9.231 11.519 1.00 0.00 O ATOM 1741 OE2 GLU A 114 10.878 -7.289 11.500 1.00 0.00 O1- ATOM 0 H GLU A 114 7.799 -6.330 7.924 1.00 0.00 H new ATOM 0 HA GLU A 114 9.533 -8.672 8.527 1.00 0.00 H new ATOM 0 HB2 GLU A 114 6.869 -7.763 9.655 1.00 0.00 H new ATOM 0 HB3 GLU A 114 7.761 -9.186 10.155 1.00 0.00 H new ATOM 0 HG2 GLU A 114 8.866 -6.389 10.344 1.00 0.00 H new ATOM 0 HG3 GLU A 114 7.953 -7.151 11.631 1.00 0.00 H new ATOM 1748 N ASN A 115 6.739 -8.321 6.979 1.00 0.00 N ATOM 1749 CA ASN A 115 5.736 -8.844 6.131 1.00 0.00 C ATOM 1750 C ASN A 115 6.201 -8.788 4.720 1.00 0.00 C ATOM 1751 O ASN A 115 5.699 -9.505 3.858 1.00 0.00 O ATOM 1752 CB ASN A 115 4.518 -7.974 6.287 1.00 0.00 C ATOM 1753 CG ASN A 115 3.821 -8.094 7.627 1.00 0.00 C ATOM 1754 OD1 ASN A 115 3.008 -8.960 7.842 1.00 0.00 O ATOM 1755 ND2 ASN A 115 4.125 -7.192 8.518 1.00 0.00 N ATOM 0 H ASN A 115 6.636 -7.319 7.140 1.00 0.00 H new ATOM 0 HA ASN A 115 5.512 -9.879 6.389 1.00 0.00 H new ATOM 0 HB2 ASN A 115 4.809 -6.934 6.136 1.00 0.00 H new ATOM 0 HB3 ASN A 115 3.807 -8.223 5.499 1.00 0.00 H new ATOM 0 HD21 ASN A 115 3.671 -7.204 9.431 1.00 0.00 H new ATOM 0 HD22 ASN A 115 4.817 -6.475 8.302 1.00 0.00 H new ATOM 1762 N GLY A 116 7.147 -7.920 4.475 1.00 0.00 N ATOM 1763 CA GLY A 116 7.695 -7.820 3.186 1.00 0.00 C ATOM 1764 C GLY A 116 8.764 -8.859 2.979 1.00 0.00 C ATOM 1765 O GLY A 116 9.250 -9.447 3.958 1.00 0.00 O ATOM 0 H GLY A 116 7.541 -7.280 5.164 1.00 0.00 H new ATOM 0 HA2 GLY A 116 6.909 -7.946 2.441 1.00 0.00 H new ATOM 0 HA3 GLY A 116 8.115 -6.825 3.041 1.00 0.00 H new ATOM 1769 N LYS A 117 9.148 -9.117 1.754 1.00 0.00 N ATOM 1770 CA LYS A 117 10.204 -10.086 1.525 1.00 0.00 C ATOM 1771 C LYS A 117 11.473 -9.374 1.448 1.00 0.00 C ATOM 1772 O LYS A 117 12.534 -9.927 1.716 1.00 0.00 O ATOM 1773 CB LYS A 117 10.029 -10.898 0.261 1.00 0.00 C ATOM 1774 CG LYS A 117 8.922 -11.951 0.311 1.00 0.00 C ATOM 1775 CD LYS A 117 9.120 -12.979 1.445 1.00 0.00 C ATOM 1776 CE LYS A 117 10.506 -13.646 1.435 1.00 0.00 C ATOM 1777 NZ LYS A 117 10.809 -14.351 0.172 1.00 0.00 N1+ ATOM 0 H LYS A 117 8.760 -8.685 0.915 1.00 0.00 H new ATOM 0 HA LYS A 117 10.173 -10.790 2.356 1.00 0.00 H new ATOM 0 HB2 LYS A 117 9.823 -10.216 -0.564 1.00 0.00 H new ATOM 0 HB3 LYS A 117 10.972 -11.396 0.035 1.00 0.00 H new ATOM 0 HG2 LYS A 117 7.961 -11.454 0.442 1.00 0.00 H new ATOM 0 HG3 LYS A 117 8.883 -12.475 -0.644 1.00 0.00 H new ATOM 0 HD2 LYS A 117 8.971 -12.483 2.404 1.00 0.00 H new ATOM 0 HD3 LYS A 117 8.354 -13.750 1.363 1.00 0.00 H new ATOM 0 HE2 LYS A 117 11.268 -12.886 1.610 1.00 0.00 H new ATOM 0 HE3 LYS A 117 10.566 -14.354 2.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 11.756 -14.777 0.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 10.102 -15.097 0.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 10.782 -13.675 -0.618 1.00 0.00 H new ATOM 1791 N TYR A 118 11.375 -8.134 1.093 1.00 0.00 N ATOM 1792 CA TYR A 118 12.496 -7.329 0.999 1.00 0.00 C ATOM 1793 C TYR A 118 12.909 -6.804 2.337 1.00 0.00 C ATOM 1794 O TYR A 118 14.022 -6.292 2.477 1.00 0.00 O ATOM 1795 CB TYR A 118 12.289 -6.233 0.005 1.00 0.00 C ATOM 1796 CG TYR A 118 12.608 -6.662 -1.383 1.00 0.00 C ATOM 1797 CD1 TYR A 118 13.924 -6.851 -1.760 1.00 0.00 C ATOM 1798 CD2 TYR A 118 11.616 -6.905 -2.314 1.00 0.00 C ATOM 1799 CE1 TYR A 118 14.250 -7.263 -3.022 1.00 0.00 C ATOM 1800 CE2 TYR A 118 11.935 -7.319 -3.585 1.00 0.00 C ATOM 1801 CZ TYR A 118 13.258 -7.495 -3.929 1.00 0.00 C ATOM 1802 OH TYR A 118 13.584 -7.895 -5.193 1.00 0.00 O ATOM 0 H TYR A 118 10.496 -7.670 0.863 1.00 0.00 H new ATOM 0 HA TYR A 118 13.319 -7.944 0.635 1.00 0.00 H new ATOM 0 HB2 TYR A 118 11.253 -5.896 0.050 1.00 0.00 H new ATOM 0 HB3 TYR A 118 12.914 -5.381 0.272 1.00 0.00 H new ATOM 0 HD1 TYR A 118 14.711 -6.670 -1.043 1.00 0.00 H new ATOM 0 HD2 TYR A 118 10.580 -6.768 -2.040 1.00 0.00 H new ATOM 0 HE1 TYR A 118 15.284 -7.404 -3.299 1.00 0.00 H new ATOM 0 HE2 TYR A 118 11.155 -7.505 -4.309 1.00 0.00 H new ATOM 0 HH TYR A 118 12.775 -7.927 -5.745 1.00 0.00 H new ATOM 1812 N LYS A 119 12.003 -6.933 3.337 1.00 0.00 N ATOM 1813 CA LYS A 119 12.279 -6.548 4.702 1.00 0.00 C ATOM 1814 C LYS A 119 12.738 -5.100 4.727 1.00 0.00 C ATOM 1815 O LYS A 119 13.843 -4.792 5.192 1.00 0.00 O ATOM 1816 CB LYS A 119 13.366 -7.457 5.294 1.00 0.00 C ATOM 1817 CG LYS A 119 13.083 -8.958 5.215 1.00 0.00 C ATOM 1818 CD LYS A 119 11.860 -9.339 6.020 1.00 0.00 C ATOM 1819 CE LYS A 119 11.633 -10.829 6.037 1.00 0.00 C ATOM 1820 NZ LYS A 119 12.784 -11.560 6.617 1.00 0.00 N1+ ATOM 0 H LYS A 119 11.065 -7.310 3.197 1.00 0.00 H new ATOM 0 HA LYS A 119 11.375 -6.653 5.301 1.00 0.00 H new ATOM 0 HB2 LYS A 119 14.305 -7.254 4.779 1.00 0.00 H new ATOM 0 HB3 LYS A 119 13.511 -7.187 6.340 1.00 0.00 H new ATOM 0 HG2 LYS A 119 12.938 -9.247 4.174 1.00 0.00 H new ATOM 0 HG3 LYS A 119 13.947 -9.511 5.582 1.00 0.00 H new ATOM 0 HD2 LYS A 119 11.973 -8.978 7.042 1.00 0.00 H new ATOM 0 HD3 LYS A 119 10.983 -8.844 5.602 1.00 0.00 H new ATOM 0 HE2 LYS A 119 10.735 -11.052 6.613 1.00 0.00 H new ATOM 0 HE3 LYS A 119 11.456 -11.180 5.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 12.489 -12.523 6.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 13.552 -11.610 5.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 13.120 -11.061 7.465 1.00 0.00 H new ATOM 1834 N ALA A 120 11.905 -4.235 4.177 1.00 0.00 N ATOM 1835 CA ALA A 120 12.235 -2.833 3.994 1.00 0.00 C ATOM 1836 C ALA A 120 12.314 -2.038 5.296 1.00 0.00 C ATOM 1837 O ALA A 120 11.346 -1.382 5.717 1.00 0.00 O ATOM 1838 CB ALA A 120 11.296 -2.193 3.005 1.00 0.00 C ATOM 0 H ALA A 120 10.975 -4.487 3.843 1.00 0.00 H new ATOM 0 HA ALA A 120 13.246 -2.807 3.587 1.00 0.00 H new ATOM 0 HB1 ALA A 120 11.559 -1.142 2.881 1.00 0.00 H new ATOM 0 HB2 ALA A 120 11.376 -2.703 2.045 1.00 0.00 H new ATOM 0 HB3 ALA A 120 10.273 -2.270 3.373 1.00 0.00 H new ATOM 1844 N ALA A 121 13.453 -2.152 5.924 1.00 0.00 N ATOM 1845 CA ALA A 121 13.798 -1.458 7.122 1.00 0.00 C ATOM 1846 C ALA A 121 15.296 -1.249 7.115 1.00 0.00 C ATOM 1847 O ALA A 121 16.059 -2.218 7.396 1.00 0.00 O ATOM 1848 CB ALA A 121 13.380 -2.241 8.353 1.00 0.00 C ATOM 1849 OXT ALA A 121 15.739 -0.146 6.816 1.00 0.00 O ATOM 0 H ALA A 121 14.199 -2.764 5.592 1.00 0.00 H new ATOM 0 HA ALA A 121 13.275 -0.502 7.159 1.00 0.00 H new ATOM 0 HB1 ALA A 121 13.657 -1.685 9.249 1.00 0.00 H new ATOM 0 HB2 ALA A 121 12.301 -2.392 8.339 1.00 0.00 H new ATOM 0 HB3 ALA A 121 13.882 -3.209 8.357 1.00 0.00 H new TER 1855 ALA A 121