USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 747 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 29 HIS : no HE2:sc= 0.418 K(o=1.3,f=-8.6!) USER MOD Set 1.2: A 49 TYR OH : rot 67:sc= 0.894 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 39:sc= 0.0389 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 61:sc= 0.282 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 170:sc= 0 USER MOD Single : A 21 SER OG : rot 61:sc= -2.95 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot -66:sc= 1.13 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 CYS SG : rot 13:sc= 0.485 USER MOD Single : A 36 ASN : amide:sc= -3.16! C(o=-3.2!,f=-16!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -4.64! C(o=-4.6!,f=-8.1!) USER MOD Single : A 43 LYS NZ :NH3+ -139:sc= 0.271 (180deg=-3.28!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -1.41 X(o=-1.4,f=-1.1) USER MOD Single : A 47 SER OG : rot -71:sc= 0.17 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HE2:sc= -6.67! C(o=-6.7!,f=-7.4!) USER MOD Single : A 52 CYS SG : rot 130:sc= -0.771 USER MOD Single : A 53 ASN : amide:sc= -0.0177 X(o=-0.018,f=-0.062) USER MOD Single : A 62 THR OG1 : rot -53:sc= 0.705 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 SER OG : rot 180:sc= -0.309 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 SER OG : rot 56:sc= 0.462 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= -1.11 K(o=-1.1,f=-2.2!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 HIS : no HD1:sc= -0.538 X(o=-0.54,f=-0.35) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -25.098 7.223 -14.274 1.00 0.00 N ATOM 2 CA GLY A 1 -25.389 6.242 -13.243 1.00 0.00 C ATOM 3 C GLY A 1 -24.309 6.249 -12.159 1.00 0.00 C ATOM 4 O GLY A 1 -23.118 6.241 -12.465 1.00 0.00 O ATOM 0 H1 GLY A 1 -25.845 7.199 -14.997 1.00 0.00 H new ATOM 0 H2 GLY A 1 -25.058 8.172 -13.849 1.00 0.00 H new ATOM 0 H3 GLY A 1 -24.182 7.002 -14.715 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -26.360 6.456 -12.796 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -25.456 5.250 -13.689 1.00 0.00 H new ATOM 8 N SER A 2 -24.764 6.263 -10.915 1.00 0.00 N ATOM 9 CA SER A 2 -23.852 6.271 -9.784 1.00 0.00 C ATOM 10 C SER A 2 -24.594 5.864 -8.510 1.00 0.00 C ATOM 11 O SER A 2 -25.603 6.472 -8.154 1.00 0.00 O ATOM 12 CB SER A 2 -23.207 7.647 -9.607 1.00 0.00 C ATOM 13 OG SER A 2 -24.168 8.697 -9.651 1.00 0.00 O ATOM 0 H SER A 2 -25.753 6.269 -10.665 1.00 0.00 H new ATOM 0 HA SER A 2 -23.058 5.550 -9.979 1.00 0.00 H new ATOM 0 HB2 SER A 2 -22.678 7.679 -8.654 1.00 0.00 H new ATOM 0 HB3 SER A 2 -22.464 7.802 -10.389 1.00 0.00 H new ATOM 0 HG SER A 2 -24.984 8.414 -9.188 1.00 0.00 H new ATOM 19 N SER A 3 -24.066 4.840 -7.857 1.00 0.00 N ATOM 20 CA SER A 3 -24.666 4.345 -6.629 1.00 0.00 C ATOM 21 C SER A 3 -23.590 4.161 -5.558 1.00 0.00 C ATOM 22 O SER A 3 -22.581 3.497 -5.793 1.00 0.00 O ATOM 23 CB SER A 3 -25.406 3.028 -6.870 1.00 0.00 C ATOM 24 OG SER A 3 -26.820 3.187 -6.787 1.00 0.00 O ATOM 0 H SER A 3 -23.229 4.339 -8.155 1.00 0.00 H new ATOM 0 HA SER A 3 -25.392 5.080 -6.282 1.00 0.00 H new ATOM 0 HB2 SER A 3 -25.142 2.639 -7.853 1.00 0.00 H new ATOM 0 HB3 SER A 3 -25.081 2.290 -6.137 1.00 0.00 H new ATOM 0 HG SER A 3 -27.256 2.324 -6.948 1.00 0.00 H new ATOM 30 N GLY A 4 -23.840 4.760 -4.403 1.00 0.00 N ATOM 31 CA GLY A 4 -22.905 4.671 -3.295 1.00 0.00 C ATOM 32 C GLY A 4 -23.127 5.809 -2.296 1.00 0.00 C ATOM 33 O GLY A 4 -24.267 6.145 -1.976 1.00 0.00 O ATOM 0 H GLY A 4 -24.678 5.309 -4.211 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -23.023 3.712 -2.791 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -21.883 4.708 -3.673 1.00 0.00 H new ATOM 37 N SER A 5 -22.021 6.370 -1.832 1.00 0.00 N ATOM 38 CA SER A 5 -22.080 7.463 -0.877 1.00 0.00 C ATOM 39 C SER A 5 -20.665 7.906 -0.499 1.00 0.00 C ATOM 40 O SER A 5 -19.760 7.080 -0.396 1.00 0.00 O ATOM 41 CB SER A 5 -22.862 7.059 0.375 1.00 0.00 C ATOM 42 OG SER A 5 -24.141 7.686 0.431 1.00 0.00 O ATOM 0 H SER A 5 -21.078 6.088 -2.100 1.00 0.00 H new ATOM 0 HA SER A 5 -22.602 8.298 -1.345 1.00 0.00 H new ATOM 0 HB2 SER A 5 -22.988 5.976 0.390 1.00 0.00 H new ATOM 0 HB3 SER A 5 -22.288 7.326 1.263 1.00 0.00 H new ATOM 0 HG SER A 5 -24.672 7.416 -0.347 1.00 0.00 H new ATOM 48 N SER A 6 -20.519 9.208 -0.303 1.00 0.00 N ATOM 49 CA SER A 6 -19.230 9.770 0.061 1.00 0.00 C ATOM 50 C SER A 6 -19.386 10.700 1.266 1.00 0.00 C ATOM 51 O SER A 6 -20.018 11.750 1.167 1.00 0.00 O ATOM 52 CB SER A 6 -18.606 10.525 -1.115 1.00 0.00 C ATOM 53 OG SER A 6 -18.076 9.639 -2.097 1.00 0.00 O ATOM 0 H SER A 6 -21.273 9.890 -0.389 1.00 0.00 H new ATOM 0 HA SER A 6 -18.562 8.950 0.327 1.00 0.00 H new ATOM 0 HB2 SER A 6 -19.358 11.167 -1.574 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.813 11.176 -0.748 1.00 0.00 H new ATOM 0 HG SER A 6 -17.688 10.159 -2.832 1.00 0.00 H new ATOM 59 N GLY A 7 -18.798 10.280 2.377 1.00 0.00 N ATOM 60 CA GLY A 7 -18.864 11.062 3.600 1.00 0.00 C ATOM 61 C GLY A 7 -18.464 10.219 4.812 1.00 0.00 C ATOM 62 O GLY A 7 -17.279 10.069 5.105 1.00 0.00 O ATOM 0 H GLY A 7 -18.274 9.409 2.456 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -18.204 11.926 3.520 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -19.875 11.445 3.737 1.00 0.00 H new ATOM 66 N VAL A 8 -19.476 9.690 5.485 1.00 0.00 N ATOM 67 CA VAL A 8 -19.245 8.865 6.659 1.00 0.00 C ATOM 68 C VAL A 8 -18.672 9.733 7.781 1.00 0.00 C ATOM 69 O VAL A 8 -19.360 10.025 8.757 1.00 0.00 O ATOM 70 CB VAL A 8 -18.344 7.682 6.298 1.00 0.00 C ATOM 71 CG1 VAL A 8 -18.170 6.742 7.492 1.00 0.00 C ATOM 72 CG2 VAL A 8 -18.887 6.930 5.082 1.00 0.00 C ATOM 0 H VAL A 8 -20.458 9.817 5.239 1.00 0.00 H new ATOM 0 HA VAL A 8 -20.183 8.443 7.021 1.00 0.00 H new ATOM 0 HB VAL A 8 -17.362 8.076 6.036 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -17.526 5.910 7.209 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -17.717 7.286 8.321 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -19.143 6.359 7.799 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -18.228 6.094 4.847 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -19.886 6.553 5.303 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -18.935 7.606 4.228 1.00 0.00 H new ATOM 82 N SER A 9 -17.417 10.120 7.605 1.00 0.00 N ATOM 83 CA SER A 9 -16.743 10.948 8.590 1.00 0.00 C ATOM 84 C SER A 9 -16.788 10.270 9.962 1.00 0.00 C ATOM 85 O SER A 9 -17.678 10.545 10.765 1.00 0.00 O ATOM 86 CB SER A 9 -17.376 12.339 8.665 1.00 0.00 C ATOM 87 OG SER A 9 -16.834 13.225 7.689 1.00 0.00 O ATOM 0 H SER A 9 -16.849 9.875 6.794 1.00 0.00 H new ATOM 0 HA SER A 9 -15.704 11.067 8.284 1.00 0.00 H new ATOM 0 HB2 SER A 9 -18.453 12.255 8.521 1.00 0.00 H new ATOM 0 HB3 SER A 9 -17.219 12.756 9.660 1.00 0.00 H new ATOM 0 HG SER A 9 -17.265 14.102 7.768 1.00 0.00 H new ATOM 93 N GLY A 10 -15.817 9.397 10.187 1.00 0.00 N ATOM 94 CA GLY A 10 -15.735 8.679 11.447 1.00 0.00 C ATOM 95 C GLY A 10 -14.476 9.074 12.222 1.00 0.00 C ATOM 96 O GLY A 10 -13.372 9.034 11.682 1.00 0.00 O ATOM 0 H GLY A 10 -15.081 9.171 9.518 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -16.619 8.891 12.049 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -15.728 7.605 11.258 1.00 0.00 H new ATOM 100 N ARG A 11 -14.686 9.446 13.476 1.00 0.00 N ATOM 101 CA ARG A 11 -13.582 9.848 14.332 1.00 0.00 C ATOM 102 C ARG A 11 -12.766 8.625 14.756 1.00 0.00 C ATOM 103 O ARG A 11 -13.289 7.513 14.804 1.00 0.00 O ATOM 104 CB ARG A 11 -14.088 10.574 15.580 1.00 0.00 C ATOM 105 CG ARG A 11 -13.480 11.973 15.686 1.00 0.00 C ATOM 106 CD ARG A 11 -14.537 13.051 15.435 1.00 0.00 C ATOM 107 NE ARG A 11 -13.931 14.198 14.723 1.00 0.00 N ATOM 108 CZ ARG A 11 -14.433 15.441 14.736 1.00 0.00 C ATOM 109 NH1 ARG A 11 -15.553 15.703 15.423 1.00 0.00 N ATOM 110 NH2 ARG A 11 -13.816 16.420 14.061 1.00 0.00 N ATOM 0 H ARG A 11 -15.604 9.478 13.920 1.00 0.00 H new ATOM 0 HA ARG A 11 -12.951 10.529 13.761 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -15.175 10.648 15.546 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -13.835 9.996 16.469 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -13.044 12.110 16.676 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -12.670 12.077 14.964 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -15.356 12.639 14.846 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -14.961 13.383 16.382 1.00 0.00 H new ATOM 0 HE ARG A 11 -13.078 14.033 14.189 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -16.023 14.957 15.936 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -15.936 16.648 15.433 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -12.964 16.220 13.537 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -14.198 17.366 14.071 1.00 0.00 H new ATOM 124 N GLU A 12 -11.499 8.873 15.054 1.00 0.00 N ATOM 125 CA GLU A 12 -10.607 7.806 15.474 1.00 0.00 C ATOM 126 C GLU A 12 -9.259 8.383 15.913 1.00 0.00 C ATOM 127 O GLU A 12 -8.842 9.433 15.427 1.00 0.00 O ATOM 128 CB GLU A 12 -10.424 6.774 14.359 1.00 0.00 C ATOM 129 CG GLU A 12 -9.658 7.373 13.178 1.00 0.00 C ATOM 130 CD GLU A 12 -9.807 6.501 11.929 1.00 0.00 C ATOM 131 OE1 GLU A 12 -10.850 6.648 11.255 1.00 0.00 O ATOM 132 OE2 GLU A 12 -8.875 5.707 11.676 1.00 0.00 O ATOM 0 H GLU A 12 -11.069 9.797 15.013 1.00 0.00 H new ATOM 0 HA GLU A 12 -11.057 7.297 16.326 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -9.886 5.908 14.745 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -11.399 6.420 14.023 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -10.028 8.377 12.971 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -8.603 7.469 13.435 1.00 0.00 H new ATOM 139 N PRO A 13 -8.599 7.652 16.850 1.00 0.00 N ATOM 140 CA PRO A 13 -7.308 8.080 17.360 1.00 0.00 C ATOM 141 C PRO A 13 -6.202 7.826 16.334 1.00 0.00 C ATOM 142 O PRO A 13 -5.252 8.601 16.235 1.00 0.00 O ATOM 143 CB PRO A 13 -7.114 7.296 18.648 1.00 0.00 C ATOM 144 CG PRO A 13 -8.080 6.124 18.573 1.00 0.00 C ATOM 145 CD PRO A 13 -9.063 6.403 17.448 1.00 0.00 C ATOM 0 HA PRO A 13 -7.266 9.152 17.552 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -6.085 6.949 18.742 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -7.322 7.918 19.519 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -7.540 5.195 18.387 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -8.607 6.002 19.519 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -9.070 5.593 16.718 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -10.081 6.499 17.826 1.00 0.00 H new ATOM 153 N SER A 14 -6.361 6.737 15.597 1.00 0.00 N ATOM 154 CA SER A 14 -5.388 6.371 14.582 1.00 0.00 C ATOM 155 C SER A 14 -4.032 6.093 15.233 1.00 0.00 C ATOM 156 O SER A 14 -3.695 6.691 16.254 1.00 0.00 O ATOM 157 CB SER A 14 -5.254 7.470 13.526 1.00 0.00 C ATOM 158 OG SER A 14 -4.125 7.265 12.681 1.00 0.00 O ATOM 0 H SER A 14 -7.150 6.096 15.683 1.00 0.00 H new ATOM 0 HA SER A 14 -5.737 5.466 14.084 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.159 7.502 12.920 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.166 8.438 14.019 1.00 0.00 H new ATOM 0 HG SER A 14 -4.076 7.987 12.020 1.00 0.00 H new ATOM 164 N SER A 15 -3.290 5.185 14.616 1.00 0.00 N ATOM 165 CA SER A 15 -1.978 4.820 15.123 1.00 0.00 C ATOM 166 C SER A 15 -0.932 5.827 14.641 1.00 0.00 C ATOM 167 O SER A 15 -1.245 6.728 13.863 1.00 0.00 O ATOM 168 CB SER A 15 -1.593 3.405 14.687 1.00 0.00 C ATOM 169 OG SER A 15 -2.618 2.459 14.979 1.00 0.00 O ATOM 0 H SER A 15 -3.573 4.691 13.769 1.00 0.00 H new ATOM 0 HA SER A 15 -2.015 4.838 16.212 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.388 3.399 13.616 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.672 3.109 15.190 1.00 0.00 H new ATOM 0 HG SER A 15 -2.408 1.605 14.546 1.00 0.00 H new ATOM 175 N ARG A 16 0.288 5.642 15.123 1.00 0.00 N ATOM 176 CA ARG A 16 1.381 6.523 14.752 1.00 0.00 C ATOM 177 C ARG A 16 1.711 6.362 13.266 1.00 0.00 C ATOM 178 O ARG A 16 2.051 5.268 12.817 1.00 0.00 O ATOM 179 CB ARG A 16 2.633 6.227 15.580 1.00 0.00 C ATOM 180 CG ARG A 16 3.181 7.504 16.221 1.00 0.00 C ATOM 181 CD ARG A 16 4.709 7.544 16.144 1.00 0.00 C ATOM 182 NE ARG A 16 5.162 8.911 15.801 1.00 0.00 N ATOM 183 CZ ARG A 16 6.438 9.239 15.555 1.00 0.00 C ATOM 184 NH1 ARG A 16 7.394 8.302 15.611 1.00 0.00 N ATOM 185 NH2 ARG A 16 6.758 10.504 15.251 1.00 0.00 N ATOM 0 H ARG A 16 0.543 4.894 15.768 1.00 0.00 H new ATOM 0 HA ARG A 16 1.063 7.547 14.949 1.00 0.00 H new ATOM 0 HB2 ARG A 16 2.396 5.499 16.356 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.396 5.779 14.944 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.765 8.376 15.716 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.864 7.557 17.263 1.00 0.00 H new ATOM 0 HD2 ARG A 16 5.138 7.238 17.098 1.00 0.00 H new ATOM 0 HD3 ARG A 16 5.062 6.836 15.395 1.00 0.00 H new ATOM 0 HE ARG A 16 4.460 9.649 15.749 1.00 0.00 H new ATOM 0 HH11 ARG A 16 7.151 7.338 15.841 1.00 0.00 H new ATOM 0 HH12 ARG A 16 8.365 8.552 15.424 1.00 0.00 H new ATOM 0 HH21 ARG A 16 6.030 11.218 15.207 1.00 0.00 H new ATOM 0 HH22 ARG A 16 7.729 10.753 15.064 1.00 0.00 H new ATOM 199 N ILE A 17 1.599 7.467 12.545 1.00 0.00 N ATOM 200 CA ILE A 17 1.882 7.462 11.119 1.00 0.00 C ATOM 201 C ILE A 17 3.391 7.588 10.902 1.00 0.00 C ATOM 202 O ILE A 17 4.109 8.072 11.776 1.00 0.00 O ATOM 203 CB ILE A 17 1.066 8.544 10.408 1.00 0.00 C ATOM 204 CG1 ILE A 17 -0.388 8.536 10.884 1.00 0.00 C ATOM 205 CG2 ILE A 17 1.172 8.400 8.888 1.00 0.00 C ATOM 206 CD1 ILE A 17 -1.129 7.303 10.365 1.00 0.00 C ATOM 0 H ILE A 17 1.316 8.372 12.921 1.00 0.00 H new ATOM 0 HA ILE A 17 1.574 6.517 10.673 1.00 0.00 H new ATOM 0 HB ILE A 17 1.485 9.515 10.670 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.418 8.550 11.974 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.892 9.439 10.540 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.583 9.181 8.407 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.215 8.494 8.586 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.793 7.423 8.588 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.160 7.323 10.718 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.119 7.304 9.275 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.637 6.402 10.731 1.00 0.00 H new ATOM 218 N ILE A 18 3.827 7.144 9.733 1.00 0.00 N ATOM 219 CA ILE A 18 5.238 7.200 9.390 1.00 0.00 C ATOM 220 C ILE A 18 5.389 7.706 7.954 1.00 0.00 C ATOM 221 O ILE A 18 4.399 8.013 7.292 1.00 0.00 O ATOM 222 CB ILE A 18 5.904 5.846 9.638 1.00 0.00 C ATOM 223 CG1 ILE A 18 5.036 4.702 9.111 1.00 0.00 C ATOM 224 CG2 ILE A 18 6.250 5.668 11.118 1.00 0.00 C ATOM 225 CD1 ILE A 18 5.843 3.408 8.996 1.00 0.00 C ATOM 0 H ILE A 18 3.228 6.744 9.011 1.00 0.00 H new ATOM 0 HA ILE A 18 5.759 7.908 10.035 1.00 0.00 H new ATOM 0 HB ILE A 18 6.841 5.820 9.082 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.188 4.548 9.778 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.630 4.969 8.135 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.722 4.697 11.267 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.935 6.457 11.429 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.339 5.723 11.714 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.202 2.611 8.619 1.00 0.00 H new ATOM 0 HD12 ILE A 18 6.676 3.559 8.309 1.00 0.00 H new ATOM 0 HD13 ILE A 18 6.227 3.130 9.977 1.00 0.00 H new ATOM 237 N ARG A 19 6.637 7.777 7.514 1.00 0.00 N ATOM 238 CA ARG A 19 6.931 8.240 6.168 1.00 0.00 C ATOM 239 C ARG A 19 7.529 7.105 5.335 1.00 0.00 C ATOM 240 O ARG A 19 8.705 6.774 5.483 1.00 0.00 O ATOM 241 CB ARG A 19 7.909 9.416 6.192 1.00 0.00 C ATOM 242 CG ARG A 19 8.281 9.849 4.772 1.00 0.00 C ATOM 243 CD ARG A 19 9.523 10.743 4.779 1.00 0.00 C ATOM 244 NE ARG A 19 10.643 10.057 4.097 1.00 0.00 N ATOM 245 CZ ARG A 19 11.861 10.591 3.932 1.00 0.00 C ATOM 246 NH1 ARG A 19 12.123 11.819 4.397 1.00 0.00 N ATOM 247 NH2 ARG A 19 12.817 9.895 3.301 1.00 0.00 N ATOM 0 H ARG A 19 7.456 7.522 8.066 1.00 0.00 H new ATOM 0 HA ARG A 19 5.994 8.570 5.719 1.00 0.00 H new ATOM 0 HB2 ARG A 19 7.462 10.254 6.726 1.00 0.00 H new ATOM 0 HB3 ARG A 19 8.809 9.134 6.738 1.00 0.00 H new ATOM 0 HG2 ARG A 19 8.466 8.969 4.156 1.00 0.00 H new ATOM 0 HG3 ARG A 19 7.446 10.384 4.321 1.00 0.00 H new ATOM 0 HD2 ARG A 19 9.305 11.687 4.279 1.00 0.00 H new ATOM 0 HD3 ARG A 19 9.803 10.983 5.805 1.00 0.00 H new ATOM 0 HE ARG A 19 10.478 9.120 3.730 1.00 0.00 H new ATOM 0 HH11 ARG A 19 11.395 12.349 4.877 1.00 0.00 H new ATOM 0 HH12 ARG A 19 13.050 12.225 4.271 1.00 0.00 H new ATOM 0 HH21 ARG A 19 12.617 8.960 2.947 1.00 0.00 H new ATOM 0 HH22 ARG A 19 13.744 10.301 3.175 1.00 0.00 H new ATOM 261 N VAL A 20 6.693 6.539 4.476 1.00 0.00 N ATOM 262 CA VAL A 20 7.125 5.448 3.619 1.00 0.00 C ATOM 263 C VAL A 20 7.177 5.934 2.169 1.00 0.00 C ATOM 264 O VAL A 20 6.176 6.408 1.634 1.00 0.00 O ATOM 265 CB VAL A 20 6.209 4.238 3.812 1.00 0.00 C ATOM 266 CG1 VAL A 20 6.726 3.029 3.029 1.00 0.00 C ATOM 267 CG2 VAL A 20 6.049 3.902 5.296 1.00 0.00 C ATOM 0 H VAL A 20 5.719 6.816 4.355 1.00 0.00 H new ATOM 0 HA VAL A 20 8.130 5.124 3.889 1.00 0.00 H new ATOM 0 HB VAL A 20 5.226 4.496 3.419 1.00 0.00 H new ATOM 0 HG11 VAL A 20 6.057 2.182 3.183 1.00 0.00 H new ATOM 0 HG12 VAL A 20 6.764 3.272 1.967 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.726 2.770 3.378 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.393 3.038 5.405 1.00 0.00 H new ATOM 0 HG22 VAL A 20 7.025 3.673 5.724 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.615 4.755 5.817 1.00 0.00 H new ATOM 277 N SER A 21 8.354 5.799 1.575 1.00 0.00 N ATOM 278 CA SER A 21 8.549 6.219 0.198 1.00 0.00 C ATOM 279 C SER A 21 8.122 5.101 -0.755 1.00 0.00 C ATOM 280 O SER A 21 8.780 4.065 -0.837 1.00 0.00 O ATOM 281 CB SER A 21 10.007 6.607 -0.058 1.00 0.00 C ATOM 282 OG SER A 21 10.331 7.872 0.512 1.00 0.00 O ATOM 0 H SER A 21 9.182 5.405 2.022 1.00 0.00 H new ATOM 0 HA SER A 21 7.930 7.098 0.017 1.00 0.00 H new ATOM 0 HB2 SER A 21 10.664 5.843 0.358 1.00 0.00 H new ATOM 0 HB3 SER A 21 10.191 6.635 -1.132 1.00 0.00 H new ATOM 0 HG SER A 21 10.203 7.836 1.483 1.00 0.00 H new ATOM 288 N VAL A 22 7.022 5.348 -1.452 1.00 0.00 N ATOM 289 CA VAL A 22 6.500 4.375 -2.396 1.00 0.00 C ATOM 290 C VAL A 22 7.128 4.616 -3.770 1.00 0.00 C ATOM 291 O VAL A 22 6.984 5.696 -4.342 1.00 0.00 O ATOM 292 CB VAL A 22 4.971 4.437 -2.418 1.00 0.00 C ATOM 293 CG1 VAL A 22 4.411 3.710 -3.643 1.00 0.00 C ATOM 294 CG2 VAL A 22 4.381 3.869 -1.126 1.00 0.00 C ATOM 0 H VAL A 22 6.478 6.208 -1.381 1.00 0.00 H new ATOM 0 HA VAL A 22 6.767 3.364 -2.090 1.00 0.00 H new ATOM 0 HB VAL A 22 4.679 5.485 -2.487 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.323 3.769 -3.635 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.793 4.178 -4.550 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.718 2.664 -3.618 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.293 3.925 -1.167 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.687 2.829 -1.013 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.742 4.448 -0.276 1.00 0.00 H new ATOM 304 N LYS A 23 7.811 3.593 -4.261 1.00 0.00 N ATOM 305 CA LYS A 23 8.461 3.680 -5.557 1.00 0.00 C ATOM 306 C LYS A 23 7.555 3.056 -6.621 1.00 0.00 C ATOM 307 O LYS A 23 7.251 1.866 -6.561 1.00 0.00 O ATOM 308 CB LYS A 23 9.858 3.058 -5.499 1.00 0.00 C ATOM 309 CG LYS A 23 10.851 3.859 -6.344 1.00 0.00 C ATOM 310 CD LYS A 23 11.690 4.791 -5.469 1.00 0.00 C ATOM 311 CE LYS A 23 13.032 4.148 -5.113 1.00 0.00 C ATOM 312 NZ LYS A 23 14.090 5.179 -5.013 1.00 0.00 N ATOM 0 H LYS A 23 7.928 2.699 -3.784 1.00 0.00 H new ATOM 0 HA LYS A 23 8.612 4.722 -5.837 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.201 3.022 -4.465 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.817 2.029 -5.857 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.506 3.177 -6.886 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.311 4.443 -7.090 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.861 5.731 -5.993 1.00 0.00 H new ATOM 0 HD3 LYS A 23 11.143 5.029 -4.557 1.00 0.00 H new ATOM 0 HE2 LYS A 23 12.946 3.613 -4.167 1.00 0.00 H new ATOM 0 HE3 LYS A 23 13.302 3.413 -5.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 14.994 4.726 -4.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 14.182 5.671 -5.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 13.837 5.865 -4.273 1.00 0.00 H new ATOM 326 N THR A 24 7.149 3.888 -7.569 1.00 0.00 N ATOM 327 CA THR A 24 6.284 3.433 -8.643 1.00 0.00 C ATOM 328 C THR A 24 7.051 3.397 -9.967 1.00 0.00 C ATOM 329 O THR A 24 8.071 4.068 -10.115 1.00 0.00 O ATOM 330 CB THR A 24 5.055 4.344 -8.679 1.00 0.00 C ATOM 331 OG1 THR A 24 5.517 5.525 -9.328 1.00 0.00 O ATOM 332 CG2 THR A 24 4.641 4.822 -7.285 1.00 0.00 C ATOM 0 H THR A 24 7.403 4.875 -7.615 1.00 0.00 H new ATOM 0 HA THR A 24 5.945 2.411 -8.471 1.00 0.00 H new ATOM 0 HB THR A 24 4.223 3.814 -9.143 1.00 0.00 H new ATOM 0 HG1 THR A 24 6.179 5.972 -8.761 1.00 0.00 H new ATOM 0 HG21 THR A 24 3.765 5.465 -7.366 1.00 0.00 H new ATOM 0 HG22 THR A 24 4.403 3.961 -6.661 1.00 0.00 H new ATOM 0 HG23 THR A 24 5.461 5.381 -6.834 1.00 0.00 H new ATOM 340 N PRO A 25 6.517 2.586 -10.919 1.00 0.00 N ATOM 341 CA PRO A 25 7.140 2.453 -12.225 1.00 0.00 C ATOM 342 C PRO A 25 6.880 3.692 -13.084 1.00 0.00 C ATOM 343 O PRO A 25 6.258 3.598 -14.141 1.00 0.00 O ATOM 344 CB PRO A 25 6.548 1.184 -12.816 1.00 0.00 C ATOM 345 CG PRO A 25 5.280 0.908 -12.025 1.00 0.00 C ATOM 346 CD PRO A 25 5.310 1.776 -10.778 1.00 0.00 C ATOM 0 HA PRO A 25 8.226 2.380 -12.168 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.327 1.313 -13.876 1.00 0.00 H new ATOM 0 HB3 PRO A 25 7.248 0.352 -12.735 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.399 1.133 -12.626 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.221 -0.146 -11.755 1.00 0.00 H new ATOM 0 HD2 PRO A 25 4.420 2.401 -10.709 1.00 0.00 H new ATOM 0 HD3 PRO A 25 5.344 1.169 -9.874 1.00 0.00 H new ATOM 354 N GLN A 26 7.370 4.823 -12.599 1.00 0.00 N ATOM 355 CA GLN A 26 7.199 6.079 -13.310 1.00 0.00 C ATOM 356 C GLN A 26 7.765 7.237 -12.487 1.00 0.00 C ATOM 357 O GLN A 26 8.577 8.016 -12.981 1.00 0.00 O ATOM 358 CB GLN A 26 5.727 6.318 -13.654 1.00 0.00 C ATOM 359 CG GLN A 26 5.535 6.476 -15.163 1.00 0.00 C ATOM 360 CD GLN A 26 4.249 7.246 -15.475 1.00 0.00 C ATOM 361 OE1 GLN A 26 4.218 8.465 -15.506 1.00 0.00 O ATOM 362 NE2 GLN A 26 3.195 6.468 -15.702 1.00 0.00 N ATOM 0 H GLN A 26 7.886 4.896 -11.722 1.00 0.00 H new ATOM 0 HA GLN A 26 7.753 6.022 -14.247 1.00 0.00 H new ATOM 0 HB2 GLN A 26 5.125 5.484 -13.293 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.371 7.213 -13.143 1.00 0.00 H new ATOM 0 HG2 GLN A 26 6.390 7.001 -15.589 1.00 0.00 H new ATOM 0 HG3 GLN A 26 5.498 5.493 -15.633 1.00 0.00 H new ATOM 0 HE21 GLN A 26 3.292 5.453 -15.660 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.290 6.886 -15.918 1.00 0.00 H new ATOM 371 N ASP A 27 7.312 7.313 -11.243 1.00 0.00 N ATOM 372 CA ASP A 27 7.764 8.363 -10.346 1.00 0.00 C ATOM 373 C ASP A 27 7.748 7.841 -8.908 1.00 0.00 C ATOM 374 O ASP A 27 7.532 6.652 -8.678 1.00 0.00 O ATOM 375 CB ASP A 27 6.841 9.582 -10.417 1.00 0.00 C ATOM 376 CG ASP A 27 7.548 10.914 -10.676 1.00 0.00 C ATOM 377 OD1 ASP A 27 8.375 10.945 -11.613 1.00 0.00 O ATOM 378 OD2 ASP A 27 7.247 11.871 -9.931 1.00 0.00 O ATOM 0 H ASP A 27 6.637 6.665 -10.836 1.00 0.00 H new ATOM 0 HA ASP A 27 8.770 8.654 -10.647 1.00 0.00 H new ATOM 0 HB2 ASP A 27 6.107 9.418 -11.206 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.290 9.657 -9.480 1.00 0.00 H new ATOM 383 N CYS A 28 7.979 8.756 -7.978 1.00 0.00 N ATOM 384 CA CYS A 28 7.994 8.402 -6.568 1.00 0.00 C ATOM 385 C CYS A 28 6.929 9.235 -5.853 1.00 0.00 C ATOM 386 O CYS A 28 6.724 10.402 -6.181 1.00 0.00 O ATOM 387 CB CYS A 28 9.381 8.597 -5.951 1.00 0.00 C ATOM 388 SG CYS A 28 9.696 10.378 -5.670 1.00 0.00 S ATOM 0 H CYS A 28 8.157 9.741 -8.173 1.00 0.00 H new ATOM 0 HA CYS A 28 7.763 7.343 -6.453 1.00 0.00 H new ATOM 0 HB2 CYS A 28 9.448 8.054 -5.008 1.00 0.00 H new ATOM 0 HB3 CYS A 28 10.143 8.184 -6.612 1.00 0.00 H new ATOM 0 HG CYS A 28 8.586 11.041 -5.802 1.00 0.00 H new ATOM 394 N HIS A 29 6.278 8.602 -4.888 1.00 0.00 N ATOM 395 CA HIS A 29 5.238 9.269 -4.123 1.00 0.00 C ATOM 396 C HIS A 29 5.279 8.788 -2.672 1.00 0.00 C ATOM 397 O HIS A 29 4.866 7.668 -2.374 1.00 0.00 O ATOM 398 CB HIS A 29 3.869 9.068 -4.776 1.00 0.00 C ATOM 399 CG HIS A 29 3.373 10.270 -5.545 1.00 0.00 C ATOM 400 ND1 HIS A 29 4.137 10.916 -6.501 1.00 0.00 N ATOM 401 CD2 HIS A 29 2.183 10.934 -5.489 1.00 0.00 C ATOM 402 CE1 HIS A 29 3.428 11.923 -6.991 1.00 0.00 C ATOM 403 NE2 HIS A 29 2.218 11.933 -6.362 1.00 0.00 N ATOM 0 H HIS A 29 6.451 7.634 -4.618 1.00 0.00 H new ATOM 0 HA HIS A 29 5.419 10.344 -4.118 1.00 0.00 H new ATOM 0 HB2 HIS A 29 3.922 8.214 -5.451 1.00 0.00 H new ATOM 0 HB3 HIS A 29 3.142 8.819 -4.003 1.00 0.00 H new ATOM 0 HD1 HIS A 29 5.084 10.661 -6.781 1.00 0.00 H new ATOM 0 HD2 HIS A 29 1.353 10.688 -4.843 1.00 0.00 H new ATOM 0 HE1 HIS A 29 3.752 12.615 -7.755 1.00 0.00 H new ATOM 411 N GLU A 30 5.782 9.657 -1.808 1.00 0.00 N ATOM 412 CA GLU A 30 5.882 9.335 -0.394 1.00 0.00 C ATOM 413 C GLU A 30 4.502 9.394 0.263 1.00 0.00 C ATOM 414 O GLU A 30 3.770 10.368 0.091 1.00 0.00 O ATOM 415 CB GLU A 30 6.867 10.268 0.312 1.00 0.00 C ATOM 416 CG GLU A 30 8.125 9.512 0.744 1.00 0.00 C ATOM 417 CD GLU A 30 9.053 10.414 1.561 1.00 0.00 C ATOM 418 OE1 GLU A 30 8.538 11.414 2.104 1.00 0.00 O ATOM 419 OE2 GLU A 30 10.257 10.082 1.623 1.00 0.00 O ATOM 0 H GLU A 30 6.125 10.584 -2.059 1.00 0.00 H new ATOM 0 HA GLU A 30 6.264 8.319 -0.299 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.141 11.086 -0.355 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.389 10.714 1.184 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.845 8.641 1.336 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.652 9.143 -0.136 1.00 0.00 H new ATOM 426 N PHE A 31 4.188 8.341 1.003 1.00 0.00 N ATOM 427 CA PHE A 31 2.909 8.262 1.687 1.00 0.00 C ATOM 428 C PHE A 31 3.096 8.288 3.206 1.00 0.00 C ATOM 429 O PHE A 31 4.208 8.107 3.701 1.00 0.00 O ATOM 430 CB PHE A 31 2.270 6.930 1.287 1.00 0.00 C ATOM 431 CG PHE A 31 1.758 6.894 -0.154 1.00 0.00 C ATOM 432 CD1 PHE A 31 2.613 6.607 -1.172 1.00 0.00 C ATOM 433 CD2 PHE A 31 0.448 7.148 -0.417 1.00 0.00 C ATOM 434 CE1 PHE A 31 2.138 6.573 -2.510 1.00 0.00 C ATOM 435 CE2 PHE A 31 -0.027 7.115 -1.755 1.00 0.00 C ATOM 436 CZ PHE A 31 0.828 6.828 -2.773 1.00 0.00 C ATOM 0 H PHE A 31 4.797 7.535 1.144 1.00 0.00 H new ATOM 0 HA PHE A 31 2.286 9.112 1.410 1.00 0.00 H new ATOM 0 HB2 PHE A 31 3.001 6.133 1.422 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.440 6.719 1.962 1.00 0.00 H new ATOM 0 HD1 PHE A 31 3.653 6.405 -0.963 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -0.231 7.375 0.392 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.817 6.345 -3.318 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.067 7.318 -1.964 1.00 0.00 H new ATOM 0 HZ PHE A 31 0.467 6.803 -3.790 1.00 0.00 H new ATOM 446 N PHE A 32 1.992 8.515 3.902 1.00 0.00 N ATOM 447 CA PHE A 32 2.021 8.567 5.354 1.00 0.00 C ATOM 448 C PHE A 32 0.804 7.859 5.953 1.00 0.00 C ATOM 449 O PHE A 32 -0.293 8.415 5.975 1.00 0.00 O ATOM 450 CB PHE A 32 1.982 10.045 5.749 1.00 0.00 C ATOM 451 CG PHE A 32 3.361 10.704 5.833 1.00 0.00 C ATOM 452 CD1 PHE A 32 3.949 11.195 4.709 1.00 0.00 C ATOM 453 CD2 PHE A 32 3.998 10.797 7.031 1.00 0.00 C ATOM 454 CE1 PHE A 32 5.228 11.806 4.787 1.00 0.00 C ATOM 455 CE2 PHE A 32 5.277 11.409 7.108 1.00 0.00 C ATOM 456 CZ PHE A 32 5.865 11.900 5.985 1.00 0.00 C ATOM 0 H PHE A 32 1.072 8.665 3.488 1.00 0.00 H new ATOM 0 HA PHE A 32 2.916 8.069 5.726 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.375 10.588 5.025 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.486 10.139 6.715 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.443 11.120 3.758 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.531 10.406 7.923 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.695 12.196 3.895 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.783 11.484 8.059 1.00 0.00 H new ATOM 0 HZ PHE A 32 6.838 12.365 6.044 1.00 0.00 H new ATOM 466 N LEU A 33 1.039 6.643 6.423 1.00 0.00 N ATOM 467 CA LEU A 33 -0.025 5.853 7.020 1.00 0.00 C ATOM 468 C LEU A 33 0.491 5.199 8.303 1.00 0.00 C ATOM 469 O LEU A 33 1.697 5.155 8.540 1.00 0.00 O ATOM 470 CB LEU A 33 -0.587 4.857 6.004 1.00 0.00 C ATOM 471 CG LEU A 33 0.383 3.779 5.514 1.00 0.00 C ATOM 472 CD1 LEU A 33 1.645 4.406 4.919 1.00 0.00 C ATOM 473 CD2 LEU A 33 0.709 2.786 6.632 1.00 0.00 C ATOM 0 H LEU A 33 1.950 6.185 6.403 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.862 6.491 7.302 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.452 4.365 6.448 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.947 5.414 5.139 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.104 3.218 4.717 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.317 3.618 4.579 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.373 5.040 4.075 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.145 5.007 5.678 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.400 2.031 6.258 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.168 3.316 7.467 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.208 2.303 6.969 1.00 0.00 H new ATOM 485 N ALA A 34 -0.449 4.706 9.096 1.00 0.00 N ATOM 486 CA ALA A 34 -0.104 4.056 10.349 1.00 0.00 C ATOM 487 C ALA A 34 1.134 3.181 10.142 1.00 0.00 C ATOM 488 O ALA A 34 1.244 2.483 9.135 1.00 0.00 O ATOM 489 CB ALA A 34 -1.305 3.255 10.856 1.00 0.00 C ATOM 0 H ALA A 34 -1.448 4.744 8.895 1.00 0.00 H new ATOM 0 HA ALA A 34 0.140 4.797 11.111 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -1.046 2.767 11.796 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.149 3.926 11.016 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.576 2.500 10.118 1.00 0.00 H new ATOM 495 N GLU A 35 2.035 3.248 11.111 1.00 0.00 N ATOM 496 CA GLU A 35 3.261 2.471 11.047 1.00 0.00 C ATOM 497 C GLU A 35 2.984 1.011 11.411 1.00 0.00 C ATOM 498 O GLU A 35 3.763 0.123 11.067 1.00 0.00 O ATOM 499 CB GLU A 35 4.337 3.068 11.956 1.00 0.00 C ATOM 500 CG GLU A 35 3.935 2.956 13.428 1.00 0.00 C ATOM 501 CD GLU A 35 5.147 2.632 14.305 1.00 0.00 C ATOM 502 OE1 GLU A 35 6.152 3.363 14.175 1.00 0.00 O ATOM 503 OE2 GLU A 35 5.040 1.661 15.084 1.00 0.00 O ATOM 0 H GLU A 35 1.941 3.828 11.945 1.00 0.00 H new ATOM 0 HA GLU A 35 3.636 2.505 10.024 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.283 2.552 11.793 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.497 4.115 11.698 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.483 3.892 13.757 1.00 0.00 H new ATOM 0 HG3 GLU A 35 3.180 2.179 13.544 1.00 0.00 H new ATOM 510 N ASN A 36 1.873 0.808 12.103 1.00 0.00 N ATOM 511 CA ASN A 36 1.484 -0.529 12.518 1.00 0.00 C ATOM 512 C ASN A 36 0.231 -0.953 11.748 1.00 0.00 C ATOM 513 O ASN A 36 -0.557 -1.762 12.235 1.00 0.00 O ATOM 514 CB ASN A 36 1.157 -0.570 14.012 1.00 0.00 C ATOM 515 CG ASN A 36 0.637 0.785 14.496 1.00 0.00 C ATOM 516 OD1 ASN A 36 -0.089 1.483 13.807 1.00 0.00 O ATOM 517 ND2 ASN A 36 1.048 1.118 15.716 1.00 0.00 N ATOM 0 H ASN A 36 1.230 1.547 12.387 1.00 0.00 H new ATOM 0 HA ASN A 36 2.318 -1.201 12.313 1.00 0.00 H new ATOM 0 HB2 ASN A 36 0.410 -1.340 14.203 1.00 0.00 H new ATOM 0 HB3 ASN A 36 2.049 -0.844 14.576 1.00 0.00 H new ATOM 0 HD21 ASN A 36 0.756 2.004 16.128 1.00 0.00 H new ATOM 0 HD22 ASN A 36 1.655 0.487 16.239 1.00 0.00 H new ATOM 524 N SER A 37 0.086 -0.386 10.559 1.00 0.00 N ATOM 525 CA SER A 37 -1.058 -0.695 9.718 1.00 0.00 C ATOM 526 C SER A 37 -0.757 -1.921 8.854 1.00 0.00 C ATOM 527 O SER A 37 0.403 -2.209 8.562 1.00 0.00 O ATOM 528 CB SER A 37 -1.430 0.498 8.835 1.00 0.00 C ATOM 529 OG SER A 37 -2.827 0.542 8.557 1.00 0.00 O ATOM 0 H SER A 37 0.741 0.285 10.158 1.00 0.00 H new ATOM 0 HA SER A 37 -1.908 -0.914 10.364 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.129 1.422 9.329 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.876 0.442 7.898 1.00 0.00 H new ATOM 0 HG SER A 37 -3.024 1.318 7.992 1.00 0.00 H new ATOM 535 N ASN A 38 -1.821 -2.611 8.470 1.00 0.00 N ATOM 536 CA ASN A 38 -1.685 -3.800 7.646 1.00 0.00 C ATOM 537 C ASN A 38 -1.386 -3.384 6.204 1.00 0.00 C ATOM 538 O ASN A 38 -1.769 -2.296 5.776 1.00 0.00 O ATOM 539 CB ASN A 38 -2.977 -4.619 7.644 1.00 0.00 C ATOM 540 CG ASN A 38 -4.201 -3.713 7.504 1.00 0.00 C ATOM 541 OD1 ASN A 38 -4.458 -2.842 8.319 1.00 0.00 O ATOM 542 ND2 ASN A 38 -4.940 -3.964 6.427 1.00 0.00 N ATOM 0 H ASN A 38 -2.781 -2.369 8.714 1.00 0.00 H new ATOM 0 HA ASN A 38 -0.876 -4.404 8.056 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -2.956 -5.336 6.824 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -3.049 -5.193 8.568 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -5.778 -3.412 6.244 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -4.669 -4.708 5.784 1.00 0.00 H new ATOM 549 N VAL A 39 -0.705 -4.272 5.495 1.00 0.00 N ATOM 550 CA VAL A 39 -0.350 -4.010 4.110 1.00 0.00 C ATOM 551 C VAL A 39 -1.603 -3.593 3.338 1.00 0.00 C ATOM 552 O VAL A 39 -1.597 -2.583 2.636 1.00 0.00 O ATOM 553 CB VAL A 39 0.344 -5.234 3.508 1.00 0.00 C ATOM 554 CG1 VAL A 39 0.239 -5.227 1.981 1.00 0.00 C ATOM 555 CG2 VAL A 39 1.804 -5.312 3.957 1.00 0.00 C ATOM 0 H VAL A 39 -0.390 -5.173 5.853 1.00 0.00 H new ATOM 0 HA VAL A 39 0.361 -3.186 4.046 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.167 -6.124 3.875 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.740 -6.107 1.578 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.811 -5.241 1.688 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.713 -4.328 1.588 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.274 -6.191 3.515 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.333 -4.416 3.633 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.847 -5.385 5.044 1.00 0.00 H new ATOM 565 N ARG A 40 -2.649 -4.392 3.493 1.00 0.00 N ATOM 566 CA ARG A 40 -3.906 -4.118 2.818 1.00 0.00 C ATOM 567 C ARG A 40 -4.209 -2.619 2.848 1.00 0.00 C ATOM 568 O ARG A 40 -4.302 -1.980 1.801 1.00 0.00 O ATOM 569 CB ARG A 40 -5.061 -4.877 3.476 1.00 0.00 C ATOM 570 CG ARG A 40 -5.993 -5.478 2.422 1.00 0.00 C ATOM 571 CD ARG A 40 -7.436 -5.521 2.927 1.00 0.00 C ATOM 572 NE ARG A 40 -8.191 -6.575 2.213 1.00 0.00 N ATOM 573 CZ ARG A 40 -9.357 -7.082 2.637 1.00 0.00 C ATOM 574 NH1 ARG A 40 -9.908 -6.635 3.774 1.00 0.00 N ATOM 575 NH2 ARG A 40 -9.971 -8.036 1.925 1.00 0.00 N ATOM 0 H ARG A 40 -2.651 -5.229 4.076 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.807 -4.452 1.785 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.665 -5.670 4.111 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.623 -4.202 4.122 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -5.942 -4.888 1.507 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.662 -6.486 2.171 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -7.449 -5.716 3.999 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -7.913 -4.553 2.773 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.799 -6.938 1.344 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -9.440 -5.909 4.317 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -10.795 -7.021 4.097 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.551 -8.377 1.060 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -10.858 -8.422 2.248 1.00 0.00 H new ATOM 589 N ARG A 41 -4.354 -2.100 4.058 1.00 0.00 N ATOM 590 CA ARG A 41 -4.644 -0.688 4.238 1.00 0.00 C ATOM 591 C ARG A 41 -3.675 0.162 3.413 1.00 0.00 C ATOM 592 O ARG A 41 -4.100 1.018 2.638 1.00 0.00 O ATOM 593 CB ARG A 41 -4.537 -0.286 5.710 1.00 0.00 C ATOM 594 CG ARG A 41 -5.807 -0.663 6.475 1.00 0.00 C ATOM 595 CD ARG A 41 -6.165 0.409 7.506 1.00 0.00 C ATOM 596 NE ARG A 41 -7.454 0.078 8.154 1.00 0.00 N ATOM 597 CZ ARG A 41 -8.646 0.176 7.550 1.00 0.00 C ATOM 598 NH1 ARG A 41 -8.721 0.596 6.280 1.00 0.00 N ATOM 599 NH2 ARG A 41 -9.763 -0.146 8.216 1.00 0.00 N ATOM 0 H ARG A 41 -4.276 -2.633 4.924 1.00 0.00 H new ATOM 0 HA ARG A 41 -5.665 -0.514 3.899 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -3.676 -0.777 6.163 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.368 0.788 5.786 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -6.633 -0.790 5.775 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.663 -1.621 6.976 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -5.378 0.480 8.257 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.232 1.383 7.022 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.434 -0.245 9.121 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -7.871 0.841 5.773 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -9.628 0.671 5.820 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.706 -0.466 9.183 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -10.670 -0.071 7.756 1.00 0.00 H new ATOM 613 N PHE A 42 -2.392 -0.104 3.607 1.00 0.00 N ATOM 614 CA PHE A 42 -1.359 0.625 2.891 1.00 0.00 C ATOM 615 C PHE A 42 -1.636 0.631 1.386 1.00 0.00 C ATOM 616 O PHE A 42 -1.351 1.613 0.702 1.00 0.00 O ATOM 617 CB PHE A 42 -0.037 -0.099 3.152 1.00 0.00 C ATOM 618 CG PHE A 42 1.202 0.705 2.751 1.00 0.00 C ATOM 619 CD1 PHE A 42 1.066 1.969 2.268 1.00 0.00 C ATOM 620 CD2 PHE A 42 2.439 0.154 2.877 1.00 0.00 C ATOM 621 CE1 PHE A 42 2.216 2.714 1.896 1.00 0.00 C ATOM 622 CE2 PHE A 42 3.589 0.900 2.505 1.00 0.00 C ATOM 623 CZ PHE A 42 3.453 2.164 2.022 1.00 0.00 C ATOM 0 H PHE A 42 -2.044 -0.815 4.250 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.329 1.660 3.232 1.00 0.00 H new ATOM 0 HB2 PHE A 42 0.028 -0.344 4.212 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -0.037 -1.043 2.607 1.00 0.00 H new ATOM 0 HD1 PHE A 42 0.083 2.406 2.167 1.00 0.00 H new ATOM 0 HD2 PHE A 42 2.547 -0.850 3.260 1.00 0.00 H new ATOM 0 HE1 PHE A 42 2.108 3.718 1.513 1.00 0.00 H new ATOM 0 HE2 PHE A 42 4.572 0.463 2.606 1.00 0.00 H new ATOM 0 HZ PHE A 42 4.327 2.731 1.739 1.00 0.00 H new ATOM 633 N LYS A 43 -2.188 -0.477 0.914 1.00 0.00 N ATOM 634 CA LYS A 43 -2.506 -0.613 -0.497 1.00 0.00 C ATOM 635 C LYS A 43 -3.679 0.307 -0.842 1.00 0.00 C ATOM 636 O LYS A 43 -3.650 1.002 -1.856 1.00 0.00 O ATOM 637 CB LYS A 43 -2.750 -2.080 -0.853 1.00 0.00 C ATOM 638 CG LYS A 43 -1.440 -2.871 -0.848 1.00 0.00 C ATOM 639 CD LYS A 43 -1.709 -4.377 -0.869 1.00 0.00 C ATOM 640 CE LYS A 43 -0.656 -5.111 -1.702 1.00 0.00 C ATOM 641 NZ LYS A 43 -1.126 -6.470 -2.052 1.00 0.00 N ATOM 0 H LYS A 43 -2.423 -1.289 1.484 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.661 -0.297 -1.110 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.447 -2.520 -0.140 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.215 -2.147 -1.836 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.840 -2.593 -1.714 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.859 -2.614 0.038 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.707 -4.765 0.150 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.700 -4.567 -1.280 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.445 -4.547 -2.611 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.278 -5.175 -1.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.339 -7.144 -1.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.896 -6.747 -1.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.474 -6.475 -3.032 1.00 0.00 H new ATOM 655 N LYS A 44 -4.683 0.282 0.023 1.00 0.00 N ATOM 656 CA LYS A 44 -5.863 1.105 -0.177 1.00 0.00 C ATOM 657 C LYS A 44 -5.432 2.536 -0.504 1.00 0.00 C ATOM 658 O LYS A 44 -5.907 3.125 -1.474 1.00 0.00 O ATOM 659 CB LYS A 44 -6.797 1.005 1.030 1.00 0.00 C ATOM 660 CG LYS A 44 -7.165 -0.452 1.319 1.00 0.00 C ATOM 661 CD LYS A 44 -8.580 -0.768 0.830 1.00 0.00 C ATOM 662 CE LYS A 44 -8.956 -2.218 1.139 1.00 0.00 C ATOM 663 NZ LYS A 44 -10.012 -2.688 0.215 1.00 0.00 N ATOM 0 H LYS A 44 -4.703 -0.295 0.864 1.00 0.00 H new ATOM 0 HA LYS A 44 -6.440 0.743 -1.028 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -6.315 1.443 1.904 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.702 1.582 0.843 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -6.451 -1.115 0.830 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -7.095 -0.643 2.390 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.292 -0.094 1.307 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -8.645 -0.593 -0.244 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.076 -2.855 1.049 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -9.304 -2.298 2.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -10.255 -3.674 0.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -10.857 -2.090 0.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -9.667 -2.630 -0.764 1.00 0.00 H new ATOM 677 N GLN A 45 -4.537 3.055 0.324 1.00 0.00 N ATOM 678 CA GLN A 45 -4.037 4.406 0.135 1.00 0.00 C ATOM 679 C GLN A 45 -3.533 4.590 -1.298 1.00 0.00 C ATOM 680 O GLN A 45 -3.815 5.604 -1.933 1.00 0.00 O ATOM 681 CB GLN A 45 -2.939 4.731 1.149 1.00 0.00 C ATOM 682 CG GLN A 45 -3.284 5.990 1.947 1.00 0.00 C ATOM 683 CD GLN A 45 -2.105 6.964 1.971 1.00 0.00 C ATOM 684 OE1 GLN A 45 -2.120 8.012 1.345 1.00 0.00 O ATOM 685 NE2 GLN A 45 -1.086 6.563 2.725 1.00 0.00 N ATOM 0 H GLN A 45 -4.145 2.564 1.128 1.00 0.00 H new ATOM 0 HA GLN A 45 -4.858 5.103 0.303 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.807 3.890 1.829 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -1.991 4.873 0.630 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -4.154 6.477 1.506 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -3.555 5.716 2.967 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -1.139 5.674 3.223 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -0.252 7.144 2.806 1.00 0.00 H new ATOM 694 N ILE A 46 -2.795 3.593 -1.764 1.00 0.00 N ATOM 695 CA ILE A 46 -2.249 3.632 -3.110 1.00 0.00 C ATOM 696 C ILE A 46 -3.396 3.618 -4.122 1.00 0.00 C ATOM 697 O ILE A 46 -3.475 4.489 -4.987 1.00 0.00 O ATOM 698 CB ILE A 46 -1.238 2.501 -3.310 1.00 0.00 C ATOM 699 CG1 ILE A 46 -0.094 2.601 -2.299 1.00 0.00 C ATOM 700 CG2 ILE A 46 -0.727 2.471 -4.752 1.00 0.00 C ATOM 701 CD1 ILE A 46 0.404 1.213 -1.895 1.00 0.00 C ATOM 0 H ILE A 46 -2.562 2.753 -1.233 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.694 4.557 -3.270 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.746 1.554 -3.128 1.00 0.00 H new ATOM 0 HG12 ILE A 46 0.727 3.175 -2.729 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.432 3.142 -1.415 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.010 1.658 -4.867 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.565 2.315 -5.432 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.242 3.419 -4.986 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.217 1.313 -1.176 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -0.413 0.651 -1.443 1.00 0.00 H new ATOM 0 HD13 ILE A 46 0.764 0.684 -2.778 1.00 0.00 H new ATOM 713 N SER A 47 -4.256 2.620 -3.980 1.00 0.00 N ATOM 714 CA SER A 47 -5.395 2.482 -4.871 1.00 0.00 C ATOM 715 C SER A 47 -6.092 3.833 -5.044 1.00 0.00 C ATOM 716 O SER A 47 -6.568 4.155 -6.131 1.00 0.00 O ATOM 717 CB SER A 47 -6.383 1.439 -4.345 1.00 0.00 C ATOM 718 OG SER A 47 -7.562 2.039 -3.816 1.00 0.00 O ATOM 0 H SER A 47 -4.187 1.899 -3.261 1.00 0.00 H new ATOM 0 HA SER A 47 -5.031 2.142 -5.840 1.00 0.00 H new ATOM 0 HB2 SER A 47 -6.654 0.757 -5.151 1.00 0.00 H new ATOM 0 HB3 SER A 47 -5.902 0.842 -3.571 1.00 0.00 H new ATOM 0 HG SER A 47 -7.348 2.495 -2.975 1.00 0.00 H new ATOM 724 N LYS A 48 -6.129 4.587 -3.955 1.00 0.00 N ATOM 725 CA LYS A 48 -6.759 5.896 -3.972 1.00 0.00 C ATOM 726 C LYS A 48 -6.121 6.750 -5.070 1.00 0.00 C ATOM 727 O LYS A 48 -6.755 7.037 -6.084 1.00 0.00 O ATOM 728 CB LYS A 48 -6.702 6.536 -2.584 1.00 0.00 C ATOM 729 CG LYS A 48 -7.362 5.636 -1.537 1.00 0.00 C ATOM 730 CD LYS A 48 -8.548 6.342 -0.876 1.00 0.00 C ATOM 731 CE LYS A 48 -8.072 7.458 0.055 1.00 0.00 C ATOM 732 NZ LYS A 48 -8.006 6.974 1.452 1.00 0.00 N ATOM 0 H LYS A 48 -5.733 4.316 -3.055 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.818 5.806 -4.213 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.664 6.721 -2.307 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.203 7.504 -2.605 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.700 4.713 -2.007 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.631 5.358 -0.778 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.202 6.757 -1.643 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.137 5.619 -0.312 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.090 7.809 -0.261 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.751 8.308 -0.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.681 7.744 2.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.950 6.660 1.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.340 6.177 1.512 1.00 0.00 H new ATOM 746 N TYR A 49 -4.876 7.132 -4.830 1.00 0.00 N ATOM 747 CA TYR A 49 -4.145 7.947 -5.785 1.00 0.00 C ATOM 748 C TYR A 49 -3.968 7.209 -7.113 1.00 0.00 C ATOM 749 O TYR A 49 -4.426 7.677 -8.154 1.00 0.00 O ATOM 750 CB TYR A 49 -2.769 8.193 -5.164 1.00 0.00 C ATOM 751 CG TYR A 49 -1.813 8.980 -6.063 1.00 0.00 C ATOM 752 CD1 TYR A 49 -2.093 10.291 -6.389 1.00 0.00 C ATOM 753 CD2 TYR A 49 -0.669 8.378 -6.547 1.00 0.00 C ATOM 754 CE1 TYR A 49 -1.193 11.031 -7.235 1.00 0.00 C ATOM 755 CE2 TYR A 49 0.232 9.118 -7.393 1.00 0.00 C ATOM 756 CZ TYR A 49 -0.075 10.408 -7.695 1.00 0.00 C ATOM 757 OH TYR A 49 0.775 11.107 -8.494 1.00 0.00 O ATOM 0 H TYR A 49 -4.354 6.892 -3.987 1.00 0.00 H new ATOM 0 HA TYR A 49 -4.682 8.873 -5.990 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -2.896 8.733 -4.226 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -2.315 7.233 -4.920 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -2.988 10.762 -6.010 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -0.449 7.352 -6.291 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -1.401 12.058 -7.498 1.00 0.00 H new ATOM 0 HE2 TYR A 49 1.130 8.659 -7.778 1.00 0.00 H new ATOM 0 HH TYR A 49 1.195 11.825 -7.976 1.00 0.00 H new ATOM 767 N LEU A 50 -3.301 6.067 -7.034 1.00 0.00 N ATOM 768 CA LEU A 50 -3.057 5.259 -8.217 1.00 0.00 C ATOM 769 C LEU A 50 -4.379 5.024 -8.950 1.00 0.00 C ATOM 770 O LEU A 50 -4.386 4.724 -10.143 1.00 0.00 O ATOM 771 CB LEU A 50 -2.323 3.969 -7.843 1.00 0.00 C ATOM 772 CG LEU A 50 -0.795 4.029 -7.893 1.00 0.00 C ATOM 773 CD1 LEU A 50 -0.239 4.835 -6.717 1.00 0.00 C ATOM 774 CD2 LEU A 50 -0.193 2.623 -7.960 1.00 0.00 C ATOM 0 H LEU A 50 -2.922 5.682 -6.169 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.398 5.784 -8.908 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.623 3.683 -6.835 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.658 3.177 -8.512 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.503 4.548 -8.806 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.849 4.862 -6.776 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.630 5.852 -6.756 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.540 4.366 -5.780 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.894 2.694 -7.995 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.492 2.057 -7.078 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.552 2.116 -8.855 1.00 0.00 H new ATOM 786 N HIS A 51 -5.465 5.168 -8.206 1.00 0.00 N ATOM 787 CA HIS A 51 -6.790 4.975 -8.770 1.00 0.00 C ATOM 788 C HIS A 51 -6.859 3.613 -9.464 1.00 0.00 C ATOM 789 O HIS A 51 -7.271 3.521 -10.619 1.00 0.00 O ATOM 790 CB HIS A 51 -7.159 6.133 -9.700 1.00 0.00 C ATOM 791 CG HIS A 51 -6.368 6.164 -10.986 1.00 0.00 C ATOM 792 ND1 HIS A 51 -6.742 5.453 -12.113 1.00 0.00 N ATOM 793 CD2 HIS A 51 -5.222 6.828 -11.312 1.00 0.00 C ATOM 794 CE1 HIS A 51 -5.853 5.685 -13.067 1.00 0.00 C ATOM 795 NE2 HIS A 51 -4.912 6.537 -12.569 1.00 0.00 N ATOM 0 H HIS A 51 -5.455 5.416 -7.217 1.00 0.00 H new ATOM 0 HA HIS A 51 -7.532 4.976 -7.972 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -8.220 6.069 -9.940 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -7.008 7.073 -9.170 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -7.562 4.853 -12.195 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -4.662 7.480 -10.658 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -5.870 5.272 -14.065 1.00 0.00 H new ATOM 803 N CYS A 52 -6.449 2.589 -8.729 1.00 0.00 N ATOM 804 CA CYS A 52 -6.460 1.237 -9.260 1.00 0.00 C ATOM 805 C CYS A 52 -7.115 0.320 -8.225 1.00 0.00 C ATOM 806 O CYS A 52 -7.596 0.786 -7.193 1.00 0.00 O ATOM 807 CB CYS A 52 -5.052 0.764 -9.631 1.00 0.00 C ATOM 808 SG CYS A 52 -4.634 1.314 -11.325 1.00 0.00 S ATOM 0 H CYS A 52 -6.108 2.669 -7.771 1.00 0.00 H new ATOM 0 HA CYS A 52 -7.037 1.211 -10.184 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -4.327 1.162 -8.921 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -4.996 -0.323 -9.568 1.00 0.00 H new ATOM 0 HG CYS A 52 -3.472 1.897 -11.318 1.00 0.00 H new ATOM 814 N ASN A 53 -7.114 -0.968 -8.537 1.00 0.00 N ATOM 815 CA ASN A 53 -7.703 -1.954 -7.647 1.00 0.00 C ATOM 816 C ASN A 53 -6.618 -2.515 -6.725 1.00 0.00 C ATOM 817 O ASN A 53 -5.504 -2.789 -7.167 1.00 0.00 O ATOM 818 CB ASN A 53 -8.302 -3.120 -8.437 1.00 0.00 C ATOM 819 CG ASN A 53 -9.785 -3.302 -8.106 1.00 0.00 C ATOM 820 OD1 ASN A 53 -10.576 -2.374 -8.152 1.00 0.00 O ATOM 821 ND2 ASN A 53 -10.116 -4.545 -7.770 1.00 0.00 N ATOM 0 H ASN A 53 -6.715 -1.351 -9.394 1.00 0.00 H new ATOM 0 HA ASN A 53 -8.490 -1.464 -7.074 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -8.184 -2.939 -9.505 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -7.759 -4.037 -8.207 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -11.082 -4.769 -7.531 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -9.404 -5.275 -7.752 1.00 0.00 H new ATOM 828 N ALA A 54 -6.983 -2.669 -5.461 1.00 0.00 N ATOM 829 CA ALA A 54 -6.055 -3.192 -4.473 1.00 0.00 C ATOM 830 C ALA A 54 -5.817 -4.680 -4.740 1.00 0.00 C ATOM 831 O ALA A 54 -4.877 -5.267 -4.208 1.00 0.00 O ATOM 832 CB ALA A 54 -6.604 -2.932 -3.069 1.00 0.00 C ATOM 0 H ALA A 54 -7.909 -2.441 -5.098 1.00 0.00 H new ATOM 0 HA ALA A 54 -5.092 -2.686 -4.545 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -5.908 -3.324 -2.328 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -6.727 -1.859 -2.919 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.569 -3.427 -2.958 1.00 0.00 H new ATOM 838 N ASP A 55 -6.687 -5.246 -5.564 1.00 0.00 N ATOM 839 CA ASP A 55 -6.583 -6.654 -5.908 1.00 0.00 C ATOM 840 C ASP A 55 -5.440 -6.848 -6.907 1.00 0.00 C ATOM 841 O ASP A 55 -5.072 -7.978 -7.223 1.00 0.00 O ATOM 842 CB ASP A 55 -7.872 -7.158 -6.561 1.00 0.00 C ATOM 843 CG ASP A 55 -8.084 -8.671 -6.491 1.00 0.00 C ATOM 844 OD1 ASP A 55 -7.667 -9.256 -5.468 1.00 0.00 O ATOM 845 OD2 ASP A 55 -8.658 -9.210 -7.462 1.00 0.00 O ATOM 0 H ASP A 55 -7.466 -4.756 -6.003 1.00 0.00 H new ATOM 0 HA ASP A 55 -6.401 -7.213 -4.990 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -8.719 -6.665 -6.084 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.874 -6.854 -7.608 1.00 0.00 H new ATOM 850 N ARG A 56 -4.911 -5.728 -7.376 1.00 0.00 N ATOM 851 CA ARG A 56 -3.818 -5.760 -8.333 1.00 0.00 C ATOM 852 C ARG A 56 -2.566 -5.119 -7.730 1.00 0.00 C ATOM 853 O ARG A 56 -1.481 -5.211 -8.302 1.00 0.00 O ATOM 854 CB ARG A 56 -4.190 -5.022 -9.620 1.00 0.00 C ATOM 855 CG ARG A 56 -5.528 -5.520 -10.170 1.00 0.00 C ATOM 856 CD ARG A 56 -5.337 -6.774 -11.025 1.00 0.00 C ATOM 857 NE ARG A 56 -6.127 -6.663 -12.271 1.00 0.00 N ATOM 858 CZ ARG A 56 -7.455 -6.832 -12.337 1.00 0.00 C ATOM 859 NH1 ARG A 56 -8.149 -7.121 -11.227 1.00 0.00 N ATOM 860 NH2 ARG A 56 -8.088 -6.712 -13.511 1.00 0.00 N ATOM 0 H ARG A 56 -5.219 -4.792 -7.111 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.617 -6.804 -8.572 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.249 -3.951 -9.425 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.409 -5.168 -10.366 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.206 -5.738 -9.345 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.994 -4.736 -10.767 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.282 -6.903 -11.264 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.647 -7.656 -10.465 1.00 0.00 H new ATOM 0 HE ARG A 56 -5.630 -6.444 -13.134 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -7.666 -7.212 -10.333 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -9.160 -7.250 -11.276 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -7.560 -6.492 -14.355 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -9.099 -6.841 -13.561 1.00 0.00 H new ATOM 874 N LEU A 57 -2.759 -4.486 -6.582 1.00 0.00 N ATOM 875 CA LEU A 57 -1.659 -3.830 -5.896 1.00 0.00 C ATOM 876 C LEU A 57 -0.901 -4.861 -5.056 1.00 0.00 C ATOM 877 O LEU A 57 -1.513 -5.702 -4.399 1.00 0.00 O ATOM 878 CB LEU A 57 -2.167 -2.634 -5.089 1.00 0.00 C ATOM 879 CG LEU A 57 -2.645 -1.430 -5.904 1.00 0.00 C ATOM 880 CD1 LEU A 57 -3.351 -0.408 -5.010 1.00 0.00 C ATOM 881 CD2 LEU A 57 -1.489 -0.805 -6.687 1.00 0.00 C ATOM 0 H LEU A 57 -3.660 -4.414 -6.110 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.951 -3.421 -6.616 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.989 -2.970 -4.457 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.369 -2.304 -4.424 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.376 -1.779 -6.633 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.681 0.437 -5.614 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.215 -0.874 -4.536 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.661 -0.058 -4.242 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.855 0.048 -7.258 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.717 -0.473 -5.993 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.070 -1.545 -7.369 1.00 0.00 H new ATOM 893 N VAL A 58 0.419 -4.761 -5.104 1.00 0.00 N ATOM 894 CA VAL A 58 1.267 -5.674 -4.356 1.00 0.00 C ATOM 895 C VAL A 58 2.288 -4.870 -3.549 1.00 0.00 C ATOM 896 O VAL A 58 2.848 -3.894 -4.047 1.00 0.00 O ATOM 897 CB VAL A 58 1.915 -6.683 -5.305 1.00 0.00 C ATOM 898 CG1 VAL A 58 2.531 -7.849 -4.529 1.00 0.00 C ATOM 899 CG2 VAL A 58 0.909 -7.185 -6.342 1.00 0.00 C ATOM 0 H VAL A 58 0.923 -4.061 -5.649 1.00 0.00 H new ATOM 0 HA VAL A 58 0.674 -6.251 -3.646 1.00 0.00 H new ATOM 0 HB VAL A 58 2.718 -6.174 -5.837 1.00 0.00 H new ATOM 0 HG11 VAL A 58 2.985 -8.552 -5.228 1.00 0.00 H new ATOM 0 HG12 VAL A 58 3.293 -7.471 -3.848 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.754 -8.357 -3.957 1.00 0.00 H new ATOM 0 HG21 VAL A 58 1.396 -7.901 -7.004 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.074 -7.669 -5.835 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.539 -6.343 -6.927 1.00 0.00 H new ATOM 909 N LEU A 59 2.500 -5.309 -2.317 1.00 0.00 N ATOM 910 CA LEU A 59 3.444 -4.642 -1.437 1.00 0.00 C ATOM 911 C LEU A 59 4.797 -5.353 -1.514 1.00 0.00 C ATOM 912 O LEU A 59 4.873 -6.569 -1.347 1.00 0.00 O ATOM 913 CB LEU A 59 2.880 -4.547 -0.018 1.00 0.00 C ATOM 914 CG LEU A 59 2.711 -3.134 0.544 1.00 0.00 C ATOM 915 CD1 LEU A 59 4.059 -2.550 0.971 1.00 0.00 C ATOM 916 CD2 LEU A 59 1.985 -2.230 -0.454 1.00 0.00 C ATOM 0 H LEU A 59 2.034 -6.119 -1.907 1.00 0.00 H new ATOM 0 HA LEU A 59 3.604 -3.614 -1.761 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.909 -5.042 -0.001 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.535 -5.106 0.650 1.00 0.00 H new ATOM 0 HG LEU A 59 2.088 -3.193 1.436 1.00 0.00 H new ATOM 0 HD11 LEU A 59 3.911 -1.545 1.367 1.00 0.00 H new ATOM 0 HD12 LEU A 59 4.502 -3.182 1.741 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.726 -2.506 0.110 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.878 -1.232 -0.030 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.561 -2.172 -1.378 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.998 -2.641 -0.667 1.00 0.00 H new ATOM 928 N ILE A 60 5.831 -4.564 -1.768 1.00 0.00 N ATOM 929 CA ILE A 60 7.176 -5.103 -1.870 1.00 0.00 C ATOM 930 C ILE A 60 8.152 -4.166 -1.155 1.00 0.00 C ATOM 931 O ILE A 60 8.462 -3.087 -1.658 1.00 0.00 O ATOM 932 CB ILE A 60 7.538 -5.369 -3.332 1.00 0.00 C ATOM 933 CG1 ILE A 60 6.568 -6.371 -3.964 1.00 0.00 C ATOM 934 CG2 ILE A 60 8.994 -5.820 -3.464 1.00 0.00 C ATOM 935 CD1 ILE A 60 5.571 -5.663 -4.883 1.00 0.00 C ATOM 0 H ILE A 60 5.764 -3.556 -1.906 1.00 0.00 H new ATOM 0 HA ILE A 60 7.237 -6.070 -1.370 1.00 0.00 H new ATOM 0 HB ILE A 60 7.440 -4.434 -3.883 1.00 0.00 H new ATOM 0 HG12 ILE A 60 7.127 -7.115 -4.532 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.030 -6.906 -3.181 1.00 0.00 H new ATOM 0 HG21 ILE A 60 9.225 -6.002 -4.514 1.00 0.00 H new ATOM 0 HG22 ILE A 60 9.652 -5.042 -3.078 1.00 0.00 H new ATOM 0 HG23 ILE A 60 9.144 -6.738 -2.895 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.894 -6.397 -5.319 1.00 0.00 H new ATOM 0 HD12 ILE A 60 4.997 -4.937 -4.307 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.111 -5.150 -5.679 1.00 0.00 H new ATOM 947 N PHE A 61 8.608 -4.612 0.006 1.00 0.00 N ATOM 948 CA PHE A 61 9.542 -3.826 0.794 1.00 0.00 C ATOM 949 C PHE A 61 10.943 -4.440 0.757 1.00 0.00 C ATOM 950 O PHE A 61 11.099 -5.650 0.917 1.00 0.00 O ATOM 951 CB PHE A 61 9.031 -3.838 2.236 1.00 0.00 C ATOM 952 CG PHE A 61 10.097 -3.492 3.277 1.00 0.00 C ATOM 953 CD1 PHE A 61 10.524 -2.207 3.412 1.00 0.00 C ATOM 954 CD2 PHE A 61 10.618 -4.468 4.067 1.00 0.00 C ATOM 955 CE1 PHE A 61 11.514 -1.886 4.379 1.00 0.00 C ATOM 956 CE2 PHE A 61 11.608 -4.147 5.034 1.00 0.00 C ATOM 957 CZ PHE A 61 12.035 -2.863 5.169 1.00 0.00 C ATOM 0 H PHE A 61 8.348 -5.507 0.420 1.00 0.00 H new ATOM 0 HA PHE A 61 9.607 -2.814 0.394 1.00 0.00 H new ATOM 0 HB2 PHE A 61 8.208 -3.129 2.325 1.00 0.00 H new ATOM 0 HB3 PHE A 61 8.627 -4.825 2.459 1.00 0.00 H new ATOM 0 HD1 PHE A 61 10.110 -1.432 2.784 1.00 0.00 H new ATOM 0 HD2 PHE A 61 10.279 -5.488 3.959 1.00 0.00 H new ATOM 0 HE1 PHE A 61 11.853 -0.866 4.487 1.00 0.00 H new ATOM 0 HE2 PHE A 61 12.021 -4.923 5.662 1.00 0.00 H new ATOM 0 HZ PHE A 61 12.788 -2.619 5.904 1.00 0.00 H new ATOM 967 N THR A 62 11.927 -3.579 0.546 1.00 0.00 N ATOM 968 CA THR A 62 13.310 -4.022 0.486 1.00 0.00 C ATOM 969 C THR A 62 13.455 -5.185 -0.497 1.00 0.00 C ATOM 970 O THR A 62 14.374 -5.994 -0.375 1.00 0.00 O ATOM 971 CB THR A 62 13.757 -4.367 1.908 1.00 0.00 C ATOM 972 OG1 THR A 62 15.165 -4.556 1.792 1.00 0.00 O ATOM 973 CG2 THR A 62 13.235 -5.728 2.371 1.00 0.00 C ATOM 0 H THR A 62 11.794 -2.576 0.414 1.00 0.00 H new ATOM 0 HA THR A 62 13.962 -3.235 0.107 1.00 0.00 H new ATOM 0 HB THR A 62 13.413 -3.594 2.595 1.00 0.00 H new ATOM 0 HG1 THR A 62 15.351 -5.202 1.079 1.00 0.00 H new ATOM 0 HG21 THR A 62 13.581 -5.924 3.386 1.00 0.00 H new ATOM 0 HG22 THR A 62 12.145 -5.725 2.353 1.00 0.00 H new ATOM 0 HG23 THR A 62 13.607 -6.506 1.704 1.00 0.00 H new ATOM 981 N GLY A 63 12.534 -5.233 -1.448 1.00 0.00 N ATOM 982 CA GLY A 63 12.548 -6.284 -2.451 1.00 0.00 C ATOM 983 C GLY A 63 11.924 -7.571 -1.906 1.00 0.00 C ATOM 984 O GLY A 63 12.152 -8.652 -2.446 1.00 0.00 O ATOM 0 H GLY A 63 11.773 -4.561 -1.545 1.00 0.00 H new ATOM 0 HA2 GLY A 63 12.000 -5.956 -3.334 1.00 0.00 H new ATOM 0 HA3 GLY A 63 13.573 -6.478 -2.766 1.00 0.00 H new ATOM 988 N LYS A 64 11.150 -7.411 -0.842 1.00 0.00 N ATOM 989 CA LYS A 64 10.492 -8.546 -0.218 1.00 0.00 C ATOM 990 C LYS A 64 8.976 -8.370 -0.320 1.00 0.00 C ATOM 991 O LYS A 64 8.418 -7.427 0.240 1.00 0.00 O ATOM 992 CB LYS A 64 10.995 -8.735 1.215 1.00 0.00 C ATOM 993 CG LYS A 64 12.473 -9.127 1.230 1.00 0.00 C ATOM 994 CD LYS A 64 12.638 -10.636 1.425 1.00 0.00 C ATOM 995 CE LYS A 64 14.072 -11.074 1.122 1.00 0.00 C ATOM 996 NZ LYS A 64 14.732 -11.575 2.348 1.00 0.00 N ATOM 0 H LYS A 64 10.964 -6.512 -0.397 1.00 0.00 H new ATOM 0 HA LYS A 64 10.742 -9.468 -0.743 1.00 0.00 H new ATOM 0 HB2 LYS A 64 10.854 -7.813 1.778 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.406 -9.505 1.712 1.00 0.00 H new ATOM 0 HG2 LYS A 64 12.943 -8.824 0.294 1.00 0.00 H new ATOM 0 HG3 LYS A 64 12.986 -8.595 2.031 1.00 0.00 H new ATOM 0 HD2 LYS A 64 12.381 -10.904 2.450 1.00 0.00 H new ATOM 0 HD3 LYS A 64 11.946 -11.168 0.773 1.00 0.00 H new ATOM 0 HE2 LYS A 64 14.067 -11.854 0.360 1.00 0.00 H new ATOM 0 HE3 LYS A 64 14.636 -10.235 0.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 15.704 -11.868 2.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 14.754 -10.821 3.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 14.202 -12.389 2.720 1.00 0.00 H new ATOM 1010 N ILE A 65 8.352 -9.292 -1.038 1.00 0.00 N ATOM 1011 CA ILE A 65 6.911 -9.251 -1.221 1.00 0.00 C ATOM 1012 C ILE A 65 6.225 -9.422 0.136 1.00 0.00 C ATOM 1013 O ILE A 65 6.618 -10.275 0.931 1.00 0.00 O ATOM 1014 CB ILE A 65 6.474 -10.279 -2.266 1.00 0.00 C ATOM 1015 CG1 ILE A 65 6.764 -9.778 -3.682 1.00 0.00 C ATOM 1016 CG2 ILE A 65 5.003 -10.656 -2.082 1.00 0.00 C ATOM 1017 CD1 ILE A 65 6.220 -10.752 -4.730 1.00 0.00 C ATOM 0 H ILE A 65 8.818 -10.073 -1.500 1.00 0.00 H new ATOM 0 HA ILE A 65 6.604 -8.282 -1.614 1.00 0.00 H new ATOM 0 HB ILE A 65 7.060 -11.186 -2.119 1.00 0.00 H new ATOM 0 HG12 ILE A 65 6.313 -8.796 -3.824 1.00 0.00 H new ATOM 0 HG13 ILE A 65 7.839 -9.657 -3.816 1.00 0.00 H new ATOM 0 HG21 ILE A 65 4.718 -11.388 -2.837 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.858 -11.083 -1.090 1.00 0.00 H new ATOM 0 HG23 ILE A 65 4.383 -9.766 -2.187 1.00 0.00 H new ATOM 0 HD11 ILE A 65 6.439 -10.372 -5.728 1.00 0.00 H new ATOM 0 HD12 ILE A 65 6.691 -11.726 -4.601 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.141 -10.852 -4.609 1.00 0.00 H new ATOM 1029 N LEU A 66 5.211 -8.599 0.358 1.00 0.00 N ATOM 1030 CA LEU A 66 4.466 -8.649 1.605 1.00 0.00 C ATOM 1031 C LEU A 66 3.016 -9.043 1.312 1.00 0.00 C ATOM 1032 O LEU A 66 2.610 -9.112 0.153 1.00 0.00 O ATOM 1033 CB LEU A 66 4.603 -7.328 2.364 1.00 0.00 C ATOM 1034 CG LEU A 66 5.946 -6.610 2.223 1.00 0.00 C ATOM 1035 CD1 LEU A 66 5.782 -5.099 2.402 1.00 0.00 C ATOM 1036 CD2 LEU A 66 6.984 -7.191 3.185 1.00 0.00 C ATOM 0 H LEU A 66 4.888 -7.894 -0.304 1.00 0.00 H new ATOM 0 HA LEU A 66 4.877 -9.413 2.265 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.816 -6.654 2.026 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.425 -7.520 3.422 1.00 0.00 H new ATOM 0 HG LEU A 66 6.316 -6.777 1.211 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.752 -4.613 2.297 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.099 -4.715 1.644 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.378 -4.892 3.393 1.00 0.00 H new ATOM 0 HD21 LEU A 66 7.929 -6.662 3.063 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.634 -7.077 4.211 1.00 0.00 H new ATOM 0 HD23 LEU A 66 7.130 -8.249 2.967 1.00 0.00 H new ATOM 1048 N ARG A 67 2.276 -9.290 2.383 1.00 0.00 N ATOM 1049 CA ARG A 67 0.881 -9.674 2.256 1.00 0.00 C ATOM 1050 C ARG A 67 -0.003 -8.748 3.093 1.00 0.00 C ATOM 1051 O ARG A 67 0.438 -8.215 4.110 1.00 0.00 O ATOM 1052 CB ARG A 67 0.665 -11.120 2.707 1.00 0.00 C ATOM 1053 CG ARG A 67 1.501 -12.087 1.867 1.00 0.00 C ATOM 1054 CD ARG A 67 0.846 -12.342 0.508 1.00 0.00 C ATOM 1055 NE ARG A 67 1.886 -12.540 -0.526 1.00 0.00 N ATOM 1056 CZ ARG A 67 2.625 -13.651 -0.645 1.00 0.00 C ATOM 1057 NH1 ARG A 67 2.443 -14.671 0.205 1.00 0.00 N ATOM 1058 NH2 ARG A 67 3.546 -13.743 -1.614 1.00 0.00 N ATOM 0 H ARG A 67 2.617 -9.232 3.343 1.00 0.00 H new ATOM 0 HA ARG A 67 0.608 -9.589 1.204 1.00 0.00 H new ATOM 0 HB2 ARG A 67 0.933 -11.221 3.759 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -0.391 -11.378 2.621 1.00 0.00 H new ATOM 0 HG2 ARG A 67 2.500 -11.677 1.722 1.00 0.00 H new ATOM 0 HG3 ARG A 67 1.618 -13.030 2.401 1.00 0.00 H new ATOM 0 HD2 ARG A 67 0.205 -13.222 0.564 1.00 0.00 H new ATOM 0 HD3 ARG A 67 0.209 -11.500 0.238 1.00 0.00 H new ATOM 0 HE ARG A 67 2.050 -11.783 -1.190 1.00 0.00 H new ATOM 0 HH11 ARG A 67 1.742 -14.601 0.942 1.00 0.00 H new ATOM 0 HH12 ARG A 67 3.006 -15.517 0.114 1.00 0.00 H new ATOM 0 HH21 ARG A 67 3.685 -12.967 -2.261 1.00 0.00 H new ATOM 0 HH22 ARG A 67 4.109 -14.589 -1.704 1.00 0.00 H new ATOM 1072 N ASP A 68 -1.236 -8.585 2.635 1.00 0.00 N ATOM 1073 CA ASP A 68 -2.186 -7.732 3.329 1.00 0.00 C ATOM 1074 C ASP A 68 -2.124 -8.024 4.830 1.00 0.00 C ATOM 1075 O ASP A 68 -1.911 -7.117 5.633 1.00 0.00 O ATOM 1076 CB ASP A 68 -3.615 -8.000 2.854 1.00 0.00 C ATOM 1077 CG ASP A 68 -3.921 -9.460 2.512 1.00 0.00 C ATOM 1078 OD1 ASP A 68 -3.578 -9.861 1.379 1.00 0.00 O ATOM 1079 OD2 ASP A 68 -4.489 -10.142 3.392 1.00 0.00 O ATOM 0 H ASP A 68 -1.599 -9.029 1.792 1.00 0.00 H new ATOM 0 HA ASP A 68 -1.925 -6.695 3.119 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.307 -7.672 3.630 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.810 -7.388 1.973 1.00 0.00 H new ATOM 1084 N GLN A 69 -2.314 -9.292 5.162 1.00 0.00 N ATOM 1085 CA GLN A 69 -2.282 -9.714 6.552 1.00 0.00 C ATOM 1086 C GLN A 69 -0.990 -9.241 7.221 1.00 0.00 C ATOM 1087 O GLN A 69 -0.994 -8.872 8.395 1.00 0.00 O ATOM 1088 CB GLN A 69 -2.435 -11.232 6.668 1.00 0.00 C ATOM 1089 CG GLN A 69 -1.139 -11.945 6.279 1.00 0.00 C ATOM 1090 CD GLN A 69 -1.244 -13.450 6.533 1.00 0.00 C ATOM 1091 OE1 GLN A 69 -1.435 -13.906 7.648 1.00 0.00 O ATOM 1092 NE2 GLN A 69 -1.108 -14.194 5.439 1.00 0.00 N ATOM 0 H GLN A 69 -2.491 -10.041 4.493 1.00 0.00 H new ATOM 0 HA GLN A 69 -3.125 -9.256 7.070 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.707 -11.497 7.690 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.247 -11.569 6.024 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -0.922 -11.764 5.226 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.307 -11.533 6.851 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -0.950 -13.748 4.535 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -1.162 -15.211 5.504 1.00 0.00 H new ATOM 1101 N ASP A 70 0.084 -9.267 6.446 1.00 0.00 N ATOM 1102 CA ASP A 70 1.380 -8.845 6.949 1.00 0.00 C ATOM 1103 C ASP A 70 1.369 -7.331 7.170 1.00 0.00 C ATOM 1104 O ASP A 70 0.984 -6.573 6.280 1.00 0.00 O ATOM 1105 CB ASP A 70 2.491 -9.168 5.949 1.00 0.00 C ATOM 1106 CG ASP A 70 2.504 -10.612 5.441 1.00 0.00 C ATOM 1107 OD1 ASP A 70 1.936 -11.469 6.152 1.00 0.00 O ATOM 1108 OD2 ASP A 70 3.081 -10.826 4.353 1.00 0.00 O ATOM 0 H ASP A 70 0.083 -9.574 5.473 1.00 0.00 H new ATOM 0 HA ASP A 70 1.568 -9.377 7.882 1.00 0.00 H new ATOM 0 HB2 ASP A 70 2.396 -8.499 5.094 1.00 0.00 H new ATOM 0 HB3 ASP A 70 3.453 -8.954 6.415 1.00 0.00 H new ATOM 1113 N ILE A 71 1.794 -6.935 8.360 1.00 0.00 N ATOM 1114 CA ILE A 71 1.838 -5.525 8.709 1.00 0.00 C ATOM 1115 C ILE A 71 3.140 -4.915 8.185 1.00 0.00 C ATOM 1116 O ILE A 71 4.075 -5.637 7.844 1.00 0.00 O ATOM 1117 CB ILE A 71 1.633 -5.339 10.213 1.00 0.00 C ATOM 1118 CG1 ILE A 71 0.157 -5.484 10.588 1.00 0.00 C ATOM 1119 CG2 ILE A 71 2.215 -4.004 10.685 1.00 0.00 C ATOM 1120 CD1 ILE A 71 -0.330 -6.916 10.354 1.00 0.00 C ATOM 0 H ILE A 71 2.111 -7.566 9.096 1.00 0.00 H new ATOM 0 HA ILE A 71 1.019 -4.988 8.231 1.00 0.00 H new ATOM 0 HB ILE A 71 2.176 -6.129 10.731 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.016 -5.215 11.635 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.442 -4.791 9.997 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.056 -3.897 11.758 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.284 -3.977 10.472 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.720 -3.186 10.161 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.382 -6.992 10.628 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.210 -7.174 9.302 1.00 0.00 H new ATOM 0 HD13 ILE A 71 0.255 -7.604 10.965 1.00 0.00 H new ATOM 1132 N LEU A 72 3.158 -3.591 8.138 1.00 0.00 N ATOM 1133 CA LEU A 72 4.329 -2.875 7.662 1.00 0.00 C ATOM 1134 C LEU A 72 5.473 -3.054 8.662 1.00 0.00 C ATOM 1135 O LEU A 72 6.455 -3.737 8.373 1.00 0.00 O ATOM 1136 CB LEU A 72 3.985 -1.412 7.378 1.00 0.00 C ATOM 1137 CG LEU A 72 2.733 -1.170 6.532 1.00 0.00 C ATOM 1138 CD1 LEU A 72 2.633 0.297 6.108 1.00 0.00 C ATOM 1139 CD2 LEU A 72 2.691 -2.117 5.331 1.00 0.00 C ATOM 0 H LEU A 72 2.380 -2.995 8.422 1.00 0.00 H new ATOM 0 HA LEU A 72 4.667 -3.289 6.712 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.861 -0.897 8.331 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.835 -0.951 6.874 1.00 0.00 H new ATOM 0 HG LEU A 72 1.859 -1.389 7.146 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.735 0.442 5.508 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.583 0.929 6.994 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.510 0.566 5.519 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.791 -1.924 4.747 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.570 -1.954 4.708 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.681 -3.149 5.682 1.00 0.00 H new ATOM 1151 N SER A 73 5.308 -2.429 9.819 1.00 0.00 N ATOM 1152 CA SER A 73 6.314 -2.511 10.864 1.00 0.00 C ATOM 1153 C SER A 73 6.797 -3.955 11.013 1.00 0.00 C ATOM 1154 O SER A 73 7.978 -4.242 10.822 1.00 0.00 O ATOM 1155 CB SER A 73 5.768 -1.994 12.196 1.00 0.00 C ATOM 1156 OG SER A 73 4.735 -2.829 12.710 1.00 0.00 O ATOM 0 H SER A 73 4.493 -1.864 10.055 1.00 0.00 H new ATOM 0 HA SER A 73 7.156 -1.880 10.578 1.00 0.00 H new ATOM 0 HB2 SER A 73 6.579 -1.933 12.921 1.00 0.00 H new ATOM 0 HB3 SER A 73 5.384 -0.983 12.062 1.00 0.00 H new ATOM 0 HG SER A 73 4.414 -2.466 13.562 1.00 0.00 H new ATOM 1162 N GLN A 74 5.859 -4.827 11.355 1.00 0.00 N ATOM 1163 CA GLN A 74 6.174 -6.234 11.532 1.00 0.00 C ATOM 1164 C GLN A 74 7.103 -6.715 10.415 1.00 0.00 C ATOM 1165 O GLN A 74 8.119 -7.355 10.680 1.00 0.00 O ATOM 1166 CB GLN A 74 4.900 -7.079 11.588 1.00 0.00 C ATOM 1167 CG GLN A 74 4.606 -7.534 13.018 1.00 0.00 C ATOM 1168 CD GLN A 74 4.011 -8.944 13.034 1.00 0.00 C ATOM 1169 OE1 GLN A 74 4.712 -9.940 13.107 1.00 0.00 O ATOM 1170 NE2 GLN A 74 2.684 -8.972 12.961 1.00 0.00 N ATOM 0 H GLN A 74 4.881 -4.586 11.514 1.00 0.00 H new ATOM 0 HA GLN A 74 6.691 -6.353 12.484 1.00 0.00 H new ATOM 0 HB2 GLN A 74 4.059 -6.500 11.207 1.00 0.00 H new ATOM 0 HB3 GLN A 74 5.008 -7.949 10.941 1.00 0.00 H new ATOM 0 HG2 GLN A 74 5.524 -7.516 13.605 1.00 0.00 H new ATOM 0 HG3 GLN A 74 3.913 -6.838 13.490 1.00 0.00 H new ATOM 0 HE21 GLN A 74 2.158 -8.100 12.902 1.00 0.00 H new ATOM 0 HE22 GLN A 74 2.192 -9.865 12.964 1.00 0.00 H new ATOM 1179 N ARG A 75 6.720 -6.388 9.189 1.00 0.00 N ATOM 1180 CA ARG A 75 7.505 -6.779 8.031 1.00 0.00 C ATOM 1181 C ARG A 75 8.900 -6.153 8.100 1.00 0.00 C ATOM 1182 O ARG A 75 9.897 -6.820 7.829 1.00 0.00 O ATOM 1183 CB ARG A 75 6.823 -6.346 6.732 1.00 0.00 C ATOM 1184 CG ARG A 75 5.818 -7.400 6.263 1.00 0.00 C ATOM 1185 CD ARG A 75 6.482 -8.771 6.130 1.00 0.00 C ATOM 1186 NE ARG A 75 5.726 -9.610 5.174 1.00 0.00 N ATOM 1187 CZ ARG A 75 6.190 -10.750 4.645 1.00 0.00 C ATOM 1188 NH1 ARG A 75 7.410 -11.195 4.976 1.00 0.00 N ATOM 1189 NH2 ARG A 75 5.434 -11.446 3.784 1.00 0.00 N ATOM 0 H ARG A 75 5.876 -5.857 8.973 1.00 0.00 H new ATOM 0 HA ARG A 75 7.590 -7.866 8.039 1.00 0.00 H new ATOM 0 HB2 ARG A 75 6.313 -5.395 6.884 1.00 0.00 H new ATOM 0 HB3 ARG A 75 7.574 -6.185 5.959 1.00 0.00 H new ATOM 0 HG2 ARG A 75 4.991 -7.460 6.971 1.00 0.00 H new ATOM 0 HG3 ARG A 75 5.395 -7.102 5.304 1.00 0.00 H new ATOM 0 HD2 ARG A 75 7.511 -8.654 5.789 1.00 0.00 H new ATOM 0 HD3 ARG A 75 6.522 -9.260 7.103 1.00 0.00 H new ATOM 0 HE ARG A 75 4.793 -9.301 4.901 1.00 0.00 H new ATOM 0 HH11 ARG A 75 7.986 -10.666 5.631 1.00 0.00 H new ATOM 0 HH12 ARG A 75 7.763 -12.063 4.573 1.00 0.00 H new ATOM 0 HH21 ARG A 75 4.505 -11.108 3.532 1.00 0.00 H new ATOM 0 HH22 ARG A 75 5.787 -12.314 3.381 1.00 0.00 H new ATOM 1203 N GLY A 76 8.925 -4.880 8.463 1.00 0.00 N ATOM 1204 CA GLY A 76 10.181 -4.157 8.571 1.00 0.00 C ATOM 1205 C GLY A 76 9.996 -2.680 8.213 1.00 0.00 C ATOM 1206 O GLY A 76 10.739 -1.825 8.692 1.00 0.00 O ATOM 0 H GLY A 76 8.096 -4.330 8.686 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.568 -4.243 9.586 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.921 -4.606 7.908 1.00 0.00 H new ATOM 1210 N ILE A 77 9.002 -2.428 7.375 1.00 0.00 N ATOM 1211 CA ILE A 77 8.710 -1.070 6.947 1.00 0.00 C ATOM 1212 C ILE A 77 8.649 -0.156 8.173 1.00 0.00 C ATOM 1213 O ILE A 77 7.704 -0.225 8.957 1.00 0.00 O ATOM 1214 CB ILE A 77 7.442 -1.038 6.093 1.00 0.00 C ATOM 1215 CG1 ILE A 77 7.675 -1.715 4.740 1.00 0.00 C ATOM 1216 CG2 ILE A 77 6.922 0.393 5.936 1.00 0.00 C ATOM 1217 CD1 ILE A 77 6.365 -2.260 4.167 1.00 0.00 C ATOM 0 H ILE A 77 8.388 -3.141 6.981 1.00 0.00 H new ATOM 0 HA ILE A 77 9.507 -0.693 6.306 1.00 0.00 H new ATOM 0 HB ILE A 77 6.668 -1.607 6.609 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.112 -1.001 4.042 1.00 0.00 H new ATOM 0 HG13 ILE A 77 8.392 -2.528 4.855 1.00 0.00 H new ATOM 0 HG21 ILE A 77 6.020 0.387 5.324 1.00 0.00 H new ATOM 0 HG22 ILE A 77 6.692 0.806 6.918 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.683 1.006 5.454 1.00 0.00 H new ATOM 0 HD11 ILE A 77 6.558 -2.736 3.206 1.00 0.00 H new ATOM 0 HD12 ILE A 77 5.943 -2.992 4.856 1.00 0.00 H new ATOM 0 HD13 ILE A 77 5.659 -1.441 4.031 1.00 0.00 H new ATOM 1229 N LEU A 78 9.670 0.679 8.300 1.00 0.00 N ATOM 1230 CA LEU A 78 9.745 1.605 9.417 1.00 0.00 C ATOM 1231 C LEU A 78 9.639 3.039 8.893 1.00 0.00 C ATOM 1232 O LEU A 78 9.250 3.257 7.747 1.00 0.00 O ATOM 1233 CB LEU A 78 11.004 1.345 10.246 1.00 0.00 C ATOM 1234 CG LEU A 78 10.775 0.925 11.700 1.00 0.00 C ATOM 1235 CD1 LEU A 78 9.929 -0.347 11.776 1.00 0.00 C ATOM 1236 CD2 LEU A 78 12.104 0.776 12.443 1.00 0.00 C ATOM 0 H LEU A 78 10.452 0.733 7.648 1.00 0.00 H new ATOM 0 HA LEU A 78 8.907 1.450 10.096 1.00 0.00 H new ATOM 0 HB2 LEU A 78 11.587 0.568 9.752 1.00 0.00 H new ATOM 0 HB3 LEU A 78 11.611 2.250 10.241 1.00 0.00 H new ATOM 0 HG LEU A 78 10.214 1.715 12.200 1.00 0.00 H new ATOM 0 HD11 LEU A 78 9.781 -0.624 12.820 1.00 0.00 H new ATOM 0 HD12 LEU A 78 8.961 -0.169 11.307 1.00 0.00 H new ATOM 0 HD13 LEU A 78 10.441 -1.156 11.255 1.00 0.00 H new ATOM 0 HD21 LEU A 78 11.913 0.477 13.474 1.00 0.00 H new ATOM 0 HD22 LEU A 78 12.712 0.017 11.952 1.00 0.00 H new ATOM 0 HD23 LEU A 78 12.635 1.728 12.434 1.00 0.00 H new ATOM 1248 N ASP A 79 9.992 3.979 9.758 1.00 0.00 N ATOM 1249 CA ASP A 79 9.942 5.385 9.396 1.00 0.00 C ATOM 1250 C ASP A 79 11.122 5.715 8.481 1.00 0.00 C ATOM 1251 O ASP A 79 12.268 5.406 8.804 1.00 0.00 O ATOM 1252 CB ASP A 79 10.041 6.276 10.636 1.00 0.00 C ATOM 1253 CG ASP A 79 10.529 7.702 10.370 1.00 0.00 C ATOM 1254 OD1 ASP A 79 9.884 8.376 9.538 1.00 0.00 O ATOM 1255 OD2 ASP A 79 11.535 8.085 11.005 1.00 0.00 O ATOM 0 H ASP A 79 10.314 3.794 10.708 1.00 0.00 H new ATOM 0 HA ASP A 79 8.993 5.570 8.893 1.00 0.00 H new ATOM 0 HB2 ASP A 79 9.060 6.326 11.108 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.715 5.805 11.351 1.00 0.00 H new ATOM 1260 N GLY A 80 10.802 6.338 7.356 1.00 0.00 N ATOM 1261 CA GLY A 80 11.822 6.712 6.392 1.00 0.00 C ATOM 1262 C GLY A 80 12.328 5.489 5.625 1.00 0.00 C ATOM 1263 O GLY A 80 13.534 5.306 5.465 1.00 0.00 O ATOM 0 H GLY A 80 9.851 6.593 7.091 1.00 0.00 H new ATOM 0 HA2 GLY A 80 11.415 7.442 5.692 1.00 0.00 H new ATOM 0 HA3 GLY A 80 12.654 7.193 6.906 1.00 0.00 H new ATOM 1267 N SER A 81 11.380 4.682 5.171 1.00 0.00 N ATOM 1268 CA SER A 81 11.714 3.481 4.424 1.00 0.00 C ATOM 1269 C SER A 81 11.226 3.609 2.980 1.00 0.00 C ATOM 1270 O SER A 81 10.546 4.574 2.635 1.00 0.00 O ATOM 1271 CB SER A 81 11.109 2.238 5.081 1.00 0.00 C ATOM 1272 OG SER A 81 11.132 2.321 6.503 1.00 0.00 O ATOM 0 H SER A 81 10.381 4.836 5.306 1.00 0.00 H new ATOM 0 HA SER A 81 12.798 3.368 4.425 1.00 0.00 H new ATOM 0 HB2 SER A 81 10.081 2.113 4.742 1.00 0.00 H new ATOM 0 HB3 SER A 81 11.660 1.354 4.761 1.00 0.00 H new ATOM 0 HG SER A 81 10.668 3.135 6.791 1.00 0.00 H new ATOM 1278 N THR A 82 11.592 2.622 2.175 1.00 0.00 N ATOM 1279 CA THR A 82 11.200 2.613 0.776 1.00 0.00 C ATOM 1280 C THR A 82 10.521 1.288 0.422 1.00 0.00 C ATOM 1281 O THR A 82 11.030 0.218 0.752 1.00 0.00 O ATOM 1282 CB THR A 82 12.444 2.903 -0.065 1.00 0.00 C ATOM 1283 OG1 THR A 82 12.734 4.272 0.203 1.00 0.00 O ATOM 1284 CG2 THR A 82 12.155 2.871 -1.568 1.00 0.00 C ATOM 0 H THR A 82 12.156 1.823 2.465 1.00 0.00 H new ATOM 0 HA THR A 82 10.461 3.387 0.566 1.00 0.00 H new ATOM 0 HB THR A 82 13.219 2.174 0.172 1.00 0.00 H new ATOM 0 HG1 THR A 82 13.529 4.543 -0.302 1.00 0.00 H new ATOM 0 HG21 THR A 82 13.071 3.083 -2.119 1.00 0.00 H new ATOM 0 HG22 THR A 82 11.784 1.884 -1.846 1.00 0.00 H new ATOM 0 HG23 THR A 82 11.404 3.623 -1.810 1.00 0.00 H new ATOM 1292 N VAL A 83 9.383 1.404 -0.246 1.00 0.00 N ATOM 1293 CA VAL A 83 8.629 0.228 -0.649 1.00 0.00 C ATOM 1294 C VAL A 83 8.211 0.374 -2.114 1.00 0.00 C ATOM 1295 O VAL A 83 7.693 1.415 -2.515 1.00 0.00 O ATOM 1296 CB VAL A 83 7.443 0.019 0.294 1.00 0.00 C ATOM 1297 CG1 VAL A 83 6.891 -1.403 0.172 1.00 0.00 C ATOM 1298 CG2 VAL A 83 7.829 0.336 1.740 1.00 0.00 C ATOM 0 H VAL A 83 8.964 2.293 -0.518 1.00 0.00 H new ATOM 0 HA VAL A 83 9.247 -0.667 -0.575 1.00 0.00 H new ATOM 0 HB VAL A 83 6.654 0.711 -0.000 1.00 0.00 H new ATOM 0 HG11 VAL A 83 6.049 -1.526 0.853 1.00 0.00 H new ATOM 0 HG12 VAL A 83 6.559 -1.578 -0.851 1.00 0.00 H new ATOM 0 HG13 VAL A 83 7.672 -2.119 0.428 1.00 0.00 H new ATOM 0 HG21 VAL A 83 6.968 0.179 2.389 1.00 0.00 H new ATOM 0 HG22 VAL A 83 8.642 -0.319 2.052 1.00 0.00 H new ATOM 0 HG23 VAL A 83 8.152 1.374 1.811 1.00 0.00 H new ATOM 1308 N HIS A 84 8.452 -0.685 -2.873 1.00 0.00 N ATOM 1309 CA HIS A 84 8.106 -0.688 -4.284 1.00 0.00 C ATOM 1310 C HIS A 84 6.622 -1.022 -4.448 1.00 0.00 C ATOM 1311 O HIS A 84 6.115 -1.944 -3.812 1.00 0.00 O ATOM 1312 CB HIS A 84 9.017 -1.639 -5.064 1.00 0.00 C ATOM 1313 CG HIS A 84 10.355 -1.043 -5.432 1.00 0.00 C ATOM 1314 ND1 HIS A 84 10.516 -0.150 -6.477 1.00 0.00 N ATOM 1315 CD2 HIS A 84 11.591 -1.221 -4.883 1.00 0.00 C ATOM 1316 CE1 HIS A 84 11.796 0.187 -6.545 1.00 0.00 C ATOM 1317 NE2 HIS A 84 12.460 -0.478 -5.557 1.00 0.00 N ATOM 0 H HIS A 84 8.883 -1.547 -2.537 1.00 0.00 H new ATOM 0 HA HIS A 84 8.268 0.305 -4.704 1.00 0.00 H new ATOM 0 HB2 HIS A 84 9.182 -2.537 -4.469 1.00 0.00 H new ATOM 0 HB3 HIS A 84 8.506 -1.950 -5.975 1.00 0.00 H new ATOM 0 HD2 HIS A 84 11.823 -1.858 -4.043 1.00 0.00 H new ATOM 0 HE1 HIS A 84 12.236 0.869 -7.258 1.00 0.00 H new ATOM 0 HE2 HIS A 84 13.460 -0.415 -5.367 1.00 0.00 H new ATOM 1325 N VAL A 85 5.967 -0.253 -5.306 1.00 0.00 N ATOM 1326 CA VAL A 85 4.551 -0.455 -5.562 1.00 0.00 C ATOM 1327 C VAL A 85 4.375 -1.126 -6.926 1.00 0.00 C ATOM 1328 O VAL A 85 5.204 -0.954 -7.818 1.00 0.00 O ATOM 1329 CB VAL A 85 3.804 0.876 -5.449 1.00 0.00 C ATOM 1330 CG1 VAL A 85 4.077 1.763 -6.666 1.00 0.00 C ATOM 1331 CG2 VAL A 85 2.303 0.647 -5.263 1.00 0.00 C ATOM 0 H VAL A 85 6.391 0.511 -5.833 1.00 0.00 H new ATOM 0 HA VAL A 85 4.118 -1.120 -4.814 1.00 0.00 H new ATOM 0 HB VAL A 85 4.176 1.396 -4.566 1.00 0.00 H new ATOM 0 HG11 VAL A 85 3.534 2.702 -6.561 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.146 1.967 -6.735 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.746 1.252 -7.570 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.795 1.608 -5.185 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.910 0.097 -6.118 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.133 0.072 -4.353 1.00 0.00 H new ATOM 1341 N VAL A 86 3.289 -1.876 -7.044 1.00 0.00 N ATOM 1342 CA VAL A 86 2.993 -2.573 -8.284 1.00 0.00 C ATOM 1343 C VAL A 86 1.488 -2.512 -8.552 1.00 0.00 C ATOM 1344 O VAL A 86 0.692 -2.400 -7.621 1.00 0.00 O ATOM 1345 CB VAL A 86 3.531 -4.004 -8.221 1.00 0.00 C ATOM 1346 CG1 VAL A 86 2.768 -4.920 -9.180 1.00 0.00 C ATOM 1347 CG2 VAL A 86 5.034 -4.038 -8.509 1.00 0.00 C ATOM 0 H VAL A 86 2.604 -2.016 -6.302 1.00 0.00 H new ATOM 0 HA VAL A 86 3.493 -2.088 -9.123 1.00 0.00 H new ATOM 0 HB VAL A 86 3.375 -4.376 -7.208 1.00 0.00 H new ATOM 0 HG11 VAL A 86 3.171 -5.931 -9.115 1.00 0.00 H new ATOM 0 HG12 VAL A 86 1.712 -4.932 -8.909 1.00 0.00 H new ATOM 0 HG13 VAL A 86 2.877 -4.551 -10.200 1.00 0.00 H new ATOM 0 HG21 VAL A 86 5.391 -5.067 -8.458 1.00 0.00 H new ATOM 0 HG22 VAL A 86 5.223 -3.637 -9.505 1.00 0.00 H new ATOM 0 HG23 VAL A 86 5.560 -3.434 -7.769 1.00 0.00 H new ATOM 1357 N VAL A 87 1.143 -2.588 -9.829 1.00 0.00 N ATOM 1358 CA VAL A 87 -0.252 -2.543 -10.231 1.00 0.00 C ATOM 1359 C VAL A 87 -0.505 -3.606 -11.302 1.00 0.00 C ATOM 1360 O VAL A 87 -0.767 -3.278 -12.458 1.00 0.00 O ATOM 1361 CB VAL A 87 -0.618 -1.131 -10.693 1.00 0.00 C ATOM 1362 CG1 VAL A 87 0.316 -0.660 -11.810 1.00 0.00 C ATOM 1363 CG2 VAL A 87 -2.081 -1.060 -11.135 1.00 0.00 C ATOM 0 H VAL A 87 1.806 -2.680 -10.599 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.900 -2.773 -9.385 1.00 0.00 H new ATOM 0 HB VAL A 87 -0.492 -0.458 -9.845 1.00 0.00 H new ATOM 0 HG11 VAL A 87 0.034 0.346 -12.120 1.00 0.00 H new ATOM 0 HG12 VAL A 87 1.344 -0.653 -11.446 1.00 0.00 H new ATOM 0 HG13 VAL A 87 0.237 -1.337 -12.660 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -2.315 -0.046 -11.458 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -2.245 -1.751 -11.962 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -2.727 -1.332 -10.300 1.00 0.00 H new ATOM 1373 N ARG A 88 -0.418 -4.859 -10.878 1.00 0.00 N ATOM 1374 CA ARG A 88 -0.634 -5.972 -11.786 1.00 0.00 C ATOM 1375 C ARG A 88 -1.770 -5.651 -12.759 1.00 0.00 C ATOM 1376 O ARG A 88 -2.676 -4.886 -12.430 1.00 0.00 O ATOM 1377 CB ARG A 88 -0.975 -7.251 -11.018 1.00 0.00 C ATOM 1378 CG ARG A 88 0.289 -7.912 -10.466 1.00 0.00 C ATOM 1379 CD ARG A 88 -0.050 -8.884 -9.334 1.00 0.00 C ATOM 1380 NE ARG A 88 -0.006 -10.277 -9.833 1.00 0.00 N ATOM 1381 CZ ARG A 88 0.159 -11.351 -9.049 1.00 0.00 C ATOM 1382 NH1 ARG A 88 0.298 -11.199 -7.725 1.00 0.00 N ATOM 1383 NH2 ARG A 88 0.186 -12.577 -9.589 1.00 0.00 N ATOM 0 H ARG A 88 -0.201 -5.127 -9.918 1.00 0.00 H new ATOM 0 HA ARG A 88 0.290 -6.131 -12.342 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -1.655 -7.017 -10.199 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -1.496 -7.947 -11.676 1.00 0.00 H new ATOM 0 HG2 ARG A 88 0.804 -8.445 -11.266 1.00 0.00 H new ATOM 0 HG3 ARG A 88 0.974 -7.147 -10.100 1.00 0.00 H new ATOM 0 HD2 ARG A 88 0.657 -8.760 -8.513 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -1.041 -8.662 -8.937 1.00 0.00 H new ATOM 0 HE ARG A 88 -0.108 -10.429 -10.837 1.00 0.00 H new ATOM 0 HH11 ARG A 88 0.278 -10.266 -7.314 1.00 0.00 H new ATOM 0 HH12 ARG A 88 0.424 -12.017 -7.128 1.00 0.00 H new ATOM 0 HH21 ARG A 88 0.081 -12.693 -10.597 1.00 0.00 H new ATOM 0 HH22 ARG A 88 0.312 -13.395 -8.992 1.00 0.00 H new ATOM 1397 N SER A 89 -1.686 -6.253 -13.937 1.00 0.00 N ATOM 1398 CA SER A 89 -2.696 -6.040 -14.959 1.00 0.00 C ATOM 1399 C SER A 89 -2.505 -7.043 -16.099 1.00 0.00 C ATOM 1400 O SER A 89 -1.487 -7.730 -16.162 1.00 0.00 O ATOM 1401 CB SER A 89 -2.643 -4.609 -15.497 1.00 0.00 C ATOM 1402 OG SER A 89 -3.874 -4.220 -16.101 1.00 0.00 O ATOM 0 H SER A 89 -0.934 -6.888 -14.206 1.00 0.00 H new ATOM 0 HA SER A 89 -3.677 -6.193 -14.508 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.406 -3.924 -14.683 1.00 0.00 H new ATOM 0 HB3 SER A 89 -1.838 -4.526 -16.228 1.00 0.00 H new ATOM 0 HG SER A 89 -3.800 -3.300 -16.430 1.00 0.00 H new ATOM 1408 N HIS A 90 -3.501 -7.095 -16.971 1.00 0.00 N ATOM 1409 CA HIS A 90 -3.456 -8.002 -18.105 1.00 0.00 C ATOM 1410 C HIS A 90 -3.775 -7.235 -19.390 1.00 0.00 C ATOM 1411 O HIS A 90 -2.921 -7.098 -20.264 1.00 0.00 O ATOM 1412 CB HIS A 90 -4.385 -9.197 -17.883 1.00 0.00 C ATOM 1413 CG HIS A 90 -3.664 -10.485 -17.566 1.00 0.00 C ATOM 1414 ND1 HIS A 90 -4.303 -11.591 -17.032 1.00 0.00 N ATOM 1415 CD2 HIS A 90 -2.353 -10.832 -17.713 1.00 0.00 C ATOM 1416 CE1 HIS A 90 -3.407 -12.554 -16.869 1.00 0.00 C ATOM 1417 NE2 HIS A 90 -2.199 -12.081 -17.291 1.00 0.00 N ATOM 0 H HIS A 90 -4.344 -6.524 -16.915 1.00 0.00 H new ATOM 0 HA HIS A 90 -2.451 -8.411 -18.207 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -5.069 -8.965 -17.067 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -4.992 -9.343 -18.776 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -1.572 -10.198 -18.106 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -3.599 -13.540 -16.472 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -1.322 -12.601 -17.283 1.00 0.00 H new ATOM 1425 N SER A 91 -5.007 -6.753 -19.463 1.00 0.00 N ATOM 1426 CA SER A 91 -5.450 -6.003 -20.625 1.00 0.00 C ATOM 1427 C SER A 91 -6.682 -5.167 -20.271 1.00 0.00 C ATOM 1428 O SER A 91 -7.520 -5.595 -19.479 1.00 0.00 O ATOM 1429 CB SER A 91 -5.761 -6.936 -21.798 1.00 0.00 C ATOM 1430 OG SER A 91 -6.656 -7.980 -21.426 1.00 0.00 O ATOM 0 H SER A 91 -5.713 -6.868 -18.735 1.00 0.00 H new ATOM 0 HA SER A 91 -4.642 -5.337 -20.930 1.00 0.00 H new ATOM 0 HB2 SER A 91 -6.196 -6.359 -22.615 1.00 0.00 H new ATOM 0 HB3 SER A 91 -4.834 -7.370 -22.172 1.00 0.00 H new ATOM 0 HG SER A 91 -6.831 -8.553 -22.202 1.00 0.00 H new ATOM 1436 N GLY A 92 -6.753 -3.990 -20.875 1.00 0.00 N ATOM 1437 CA GLY A 92 -7.868 -3.091 -20.633 1.00 0.00 C ATOM 1438 C GLY A 92 -7.498 -1.650 -20.991 1.00 0.00 C ATOM 1439 O GLY A 92 -6.323 -1.286 -20.980 1.00 0.00 O ATOM 0 H GLY A 92 -6.056 -3.638 -21.532 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -8.729 -3.406 -21.223 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -8.163 -3.145 -19.585 1.00 0.00 H new ATOM 1443 N PRO A 93 -8.550 -0.848 -21.307 1.00 0.00 N ATOM 1444 CA PRO A 93 -8.347 0.545 -21.667 1.00 0.00 C ATOM 1445 C PRO A 93 -8.030 1.390 -20.432 1.00 0.00 C ATOM 1446 O PRO A 93 -6.971 2.011 -20.355 1.00 0.00 O ATOM 1447 CB PRO A 93 -9.634 0.964 -22.359 1.00 0.00 C ATOM 1448 CG PRO A 93 -10.680 -0.061 -21.950 1.00 0.00 C ATOM 1449 CD PRO A 93 -9.955 -1.245 -21.331 1.00 0.00 C ATOM 0 HA PRO A 93 -7.491 0.689 -22.326 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -9.931 1.968 -22.056 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -9.507 0.982 -23.441 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -11.381 0.373 -21.237 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -11.261 -0.379 -22.815 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -10.324 -1.455 -20.327 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -10.101 -2.151 -21.920 1.00 0.00 H new ATOM 1457 N SER A 94 -8.967 1.386 -19.495 1.00 0.00 N ATOM 1458 CA SER A 94 -8.801 2.145 -18.267 1.00 0.00 C ATOM 1459 C SER A 94 -8.790 1.198 -17.065 1.00 0.00 C ATOM 1460 O SER A 94 -7.856 1.217 -16.264 1.00 0.00 O ATOM 1461 CB SER A 94 -9.908 3.189 -18.110 1.00 0.00 C ATOM 1462 OG SER A 94 -9.477 4.314 -17.349 1.00 0.00 O ATOM 0 H SER A 94 -9.844 0.869 -19.562 1.00 0.00 H new ATOM 0 HA SER A 94 -7.848 2.671 -18.316 1.00 0.00 H new ATOM 0 HB2 SER A 94 -10.235 3.522 -19.095 1.00 0.00 H new ATOM 0 HB3 SER A 94 -10.771 2.732 -17.625 1.00 0.00 H new ATOM 0 HG SER A 94 -10.212 4.958 -17.273 1.00 0.00 H new ATOM 1468 N SER A 95 -9.838 0.393 -16.976 1.00 0.00 N ATOM 1469 CA SER A 95 -9.960 -0.559 -15.885 1.00 0.00 C ATOM 1470 C SER A 95 -10.001 0.181 -14.547 1.00 0.00 C ATOM 1471 O SER A 95 -8.977 0.323 -13.881 1.00 0.00 O ATOM 1472 CB SER A 95 -8.808 -1.565 -15.901 1.00 0.00 C ATOM 1473 OG SER A 95 -9.134 -2.738 -16.642 1.00 0.00 O ATOM 0 H SER A 95 -10.611 0.380 -17.642 1.00 0.00 H new ATOM 0 HA SER A 95 -10.890 -1.112 -16.015 1.00 0.00 H new ATOM 0 HB2 SER A 95 -7.924 -1.097 -16.334 1.00 0.00 H new ATOM 0 HB3 SER A 95 -8.554 -1.841 -14.878 1.00 0.00 H new ATOM 0 HG SER A 95 -8.372 -3.355 -16.630 1.00 0.00 H new ATOM 1479 N GLY A 96 -11.195 0.634 -14.194 1.00 0.00 N ATOM 1480 CA GLY A 96 -11.382 1.356 -12.947 1.00 0.00 C ATOM 1481 C GLY A 96 -12.850 1.740 -12.750 1.00 0.00 C ATOM 1482 O GLY A 96 -13.232 2.886 -12.981 1.00 0.00 O ATOM 0 H GLY A 96 -12.042 0.515 -14.749 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -11.049 0.739 -12.112 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -10.764 2.254 -12.947 1.00 0.00 H new TER 1486 GLY A 96