USER MOD reduce.3.24.130724 H: found=0, std=0, add=643, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 641 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 58 THR OG1 : rot 118:sc= 0.569 USER MOD Set 1.2: A 60 ASN :FLIP amide:sc= -4.41! F(o=-4.7,f=-3.8!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 143:sc= -0.791 (180deg=-2.41!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -0.0957 X(o=-0.096,f=-0.095) USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 25 GLN : amide:sc= -0.751 K(o=-0.75,f=-1.8!) USER MOD Single : A 29 THR OG1 : rot -81:sc= 0.192 USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 50 TYR OH : rot -35:sc= 1.28 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0.987 K(o=0.99,f=-0.025) USER MOD Single : A 63 GLN : amide:sc= -0.895 K(o=-0.9,f=-2.5) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 90:sc= 1.39 USER MOD Single : A 68 TYR OH : rot 180:sc= -0.479 USER MOD Single : A 69 LYS NZ :NH3+ -136:sc= 0.551 (180deg=0.00184) USER MOD Single : A 74 SER OG : rot 57:sc= 0.694 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -22.061 39.606 34.288 1.00 0.00 N ATOM 2 CA GLY A 1 -21.173 38.590 33.754 1.00 0.00 C ATOM 3 C GLY A 1 -21.925 37.390 33.214 1.00 0.00 C ATOM 4 O GLY A 1 -22.590 36.676 33.964 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.499 40.405 34.645 1.00 0.00 H new ATOM 0 H2 GLY A 1 -22.699 39.939 33.537 1.00 0.00 H new ATOM 0 H3 GLY A 1 -22.622 39.203 35.065 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.567 39.023 32.959 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.487 38.264 34.536 1.00 0.00 H new ATOM 8 N SER A 2 -21.820 37.166 31.908 1.00 0.00 N ATOM 9 CA SER A 2 -22.500 36.047 31.267 1.00 0.00 C ATOM 10 C SER A 2 -21.496 35.113 30.597 1.00 0.00 C ATOM 11 O SER A 2 -20.362 35.502 30.316 1.00 0.00 O ATOM 12 CB SER A 2 -23.506 36.557 30.234 1.00 0.00 C ATOM 13 OG SER A 2 -24.596 35.662 30.098 1.00 0.00 O ATOM 0 H SER A 2 -21.270 37.745 31.273 1.00 0.00 H new ATOM 0 HA SER A 2 -23.032 35.489 32.037 1.00 0.00 H new ATOM 0 HB2 SER A 2 -23.873 37.539 30.533 1.00 0.00 H new ATOM 0 HB3 SER A 2 -23.011 36.681 29.271 1.00 0.00 H new ATOM 0 HG SER A 2 -25.225 36.012 29.433 1.00 0.00 H new ATOM 19 N SER A 3 -21.922 33.880 30.344 1.00 0.00 N ATOM 20 CA SER A 3 -21.060 32.889 29.710 1.00 0.00 C ATOM 21 C SER A 3 -21.863 31.987 28.777 1.00 0.00 C ATOM 22 O SER A 3 -23.056 31.770 28.982 1.00 0.00 O ATOM 23 CB SER A 3 -20.354 32.043 30.772 1.00 0.00 C ATOM 24 OG SER A 3 -21.275 31.215 31.460 1.00 0.00 O ATOM 0 H SER A 3 -22.858 33.543 30.568 1.00 0.00 H new ATOM 0 HA SER A 3 -20.312 33.419 29.120 1.00 0.00 H new ATOM 0 HB2 SER A 3 -19.588 31.427 30.301 1.00 0.00 H new ATOM 0 HB3 SER A 3 -19.846 32.695 31.482 1.00 0.00 H new ATOM 0 HG SER A 3 -20.799 30.684 32.132 1.00 0.00 H new ATOM 30 N GLY A 4 -21.198 31.465 27.751 1.00 0.00 N ATOM 31 CA GLY A 4 -21.864 30.594 26.802 1.00 0.00 C ATOM 32 C GLY A 4 -20.956 30.176 25.662 1.00 0.00 C ATOM 33 O GLY A 4 -19.772 30.513 25.647 1.00 0.00 O ATOM 0 H GLY A 4 -20.210 31.630 27.561 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -22.224 29.705 27.320 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -22.739 31.104 26.398 1.00 0.00 H new ATOM 37 N SER A 5 -21.511 29.438 24.706 1.00 0.00 N ATOM 38 CA SER A 5 -20.741 28.968 23.559 1.00 0.00 C ATOM 39 C SER A 5 -19.865 30.084 22.999 1.00 0.00 C ATOM 40 O SER A 5 -20.137 31.266 23.210 1.00 0.00 O ATOM 41 CB SER A 5 -21.678 28.444 22.470 1.00 0.00 C ATOM 42 OG SER A 5 -22.314 29.510 21.787 1.00 0.00 O ATOM 0 H SER A 5 -22.490 29.153 24.702 1.00 0.00 H new ATOM 0 HA SER A 5 -20.095 28.156 23.894 1.00 0.00 H new ATOM 0 HB2 SER A 5 -21.113 27.839 21.761 1.00 0.00 H new ATOM 0 HB3 SER A 5 -22.430 27.793 22.916 1.00 0.00 H new ATOM 0 HG SER A 5 -22.906 29.148 21.095 1.00 0.00 H new ATOM 48 N SER A 6 -18.813 29.700 22.284 1.00 0.00 N ATOM 49 CA SER A 6 -17.894 30.667 21.696 1.00 0.00 C ATOM 50 C SER A 6 -17.981 30.643 20.173 1.00 0.00 C ATOM 51 O SER A 6 -16.965 30.675 19.481 1.00 0.00 O ATOM 52 CB SER A 6 -16.459 30.375 22.140 1.00 0.00 C ATOM 53 OG SER A 6 -16.281 30.672 23.514 1.00 0.00 O ATOM 0 H SER A 6 -18.576 28.726 22.098 1.00 0.00 H new ATOM 0 HA SER A 6 -18.180 31.660 22.044 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.225 29.326 21.958 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.763 30.965 21.544 1.00 0.00 H new ATOM 0 HG SER A 6 -15.357 30.476 23.774 1.00 0.00 H new ATOM 59 N GLY A 7 -19.206 30.586 19.657 1.00 0.00 N ATOM 60 CA GLY A 7 -19.405 30.558 18.220 1.00 0.00 C ATOM 61 C GLY A 7 -18.597 29.468 17.544 1.00 0.00 C ATOM 62 O GLY A 7 -18.445 28.364 18.066 1.00 0.00 O ATOM 0 H GLY A 7 -20.063 30.559 20.209 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -20.463 30.408 18.006 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -19.129 31.525 17.799 1.00 0.00 H new ATOM 66 N PRO A 8 -18.064 29.774 16.352 1.00 0.00 N ATOM 67 CA PRO A 8 -17.260 28.825 15.577 1.00 0.00 C ATOM 68 C PRO A 8 -15.905 28.550 16.222 1.00 0.00 C ATOM 69 O PRO A 8 -15.600 29.070 17.295 1.00 0.00 O ATOM 70 CB PRO A 8 -17.078 29.530 14.230 1.00 0.00 C ATOM 71 CG PRO A 8 -17.214 30.980 14.541 1.00 0.00 C ATOM 72 CD PRO A 8 -18.205 31.071 15.669 1.00 0.00 C ATOM 0 HA PRO A 8 -17.742 27.850 15.501 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -16.103 29.308 13.795 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -17.829 29.207 13.509 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -16.254 31.409 14.829 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -17.562 31.535 13.670 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -17.979 31.903 16.336 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -19.220 31.223 15.301 1.00 0.00 H new ATOM 80 N LYS A 9 -15.095 27.731 15.560 1.00 0.00 N ATOM 81 CA LYS A 9 -13.772 27.388 16.068 1.00 0.00 C ATOM 82 C LYS A 9 -12.798 27.137 14.921 1.00 0.00 C ATOM 83 O LYS A 9 -13.122 26.478 13.932 1.00 0.00 O ATOM 84 CB LYS A 9 -13.852 26.150 16.964 1.00 0.00 C ATOM 85 CG LYS A 9 -12.791 26.117 18.050 1.00 0.00 C ATOM 86 CD LYS A 9 -13.182 25.182 19.183 1.00 0.00 C ATOM 87 CE LYS A 9 -14.140 25.854 20.154 1.00 0.00 C ATOM 88 NZ LYS A 9 -15.557 25.725 19.714 1.00 0.00 N ATOM 0 H LYS A 9 -15.332 27.292 14.670 1.00 0.00 H new ATOM 0 HA LYS A 9 -13.406 28.230 16.655 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -14.837 26.111 17.429 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -13.756 25.257 16.346 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -11.841 25.795 17.623 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -12.639 27.122 18.443 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -13.647 24.286 18.773 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -12.287 24.861 19.716 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -14.025 25.410 21.143 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -13.883 26.909 20.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -16.168 25.590 20.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -15.844 26.588 19.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -15.650 24.906 19.080 1.00 0.00 H new ATOM 102 N PRO A 10 -11.575 27.672 15.054 1.00 0.00 N ATOM 103 CA PRO A 10 -10.529 27.517 14.039 1.00 0.00 C ATOM 104 C PRO A 10 -10.002 26.088 13.963 1.00 0.00 C ATOM 105 O PRO A 10 -9.232 25.652 14.820 1.00 0.00 O ATOM 106 CB PRO A 10 -9.428 28.467 14.517 1.00 0.00 C ATOM 107 CG PRO A 10 -9.636 28.579 15.988 1.00 0.00 C ATOM 108 CD PRO A 10 -11.120 28.468 16.206 1.00 0.00 C ATOM 0 HA PRO A 10 -10.897 27.738 13.037 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -8.438 28.074 14.286 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -9.506 29.440 14.031 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -9.104 27.790 16.519 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -9.256 29.529 16.365 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -11.352 27.976 17.151 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -11.597 29.448 16.231 1.00 0.00 H new ATOM 116 N LEU A 11 -10.422 25.362 12.932 1.00 0.00 N ATOM 117 CA LEU A 11 -9.992 23.981 12.743 1.00 0.00 C ATOM 118 C LEU A 11 -9.077 23.857 11.529 1.00 0.00 C ATOM 119 O LEU A 11 -9.460 24.205 10.412 1.00 0.00 O ATOM 120 CB LEU A 11 -11.207 23.066 12.577 1.00 0.00 C ATOM 121 CG LEU A 11 -10.959 21.574 12.801 1.00 0.00 C ATOM 122 CD1 LEU A 11 -11.090 21.227 14.276 1.00 0.00 C ATOM 123 CD2 LEU A 11 -11.923 20.742 11.968 1.00 0.00 C ATOM 0 H LEU A 11 -11.060 25.707 12.215 1.00 0.00 H new ATOM 0 HA LEU A 11 -9.434 23.676 13.628 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -11.981 23.393 13.271 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -11.604 23.201 11.571 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.942 21.342 12.483 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -10.910 20.161 14.416 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -10.359 21.797 14.850 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -12.094 21.474 14.620 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -11.732 19.683 12.140 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -12.948 20.977 12.255 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -11.781 20.969 10.912 1.00 0.00 H new ATOM 135 N LYS A 12 -7.868 23.356 11.755 1.00 0.00 N ATOM 136 CA LYS A 12 -6.898 23.181 10.679 1.00 0.00 C ATOM 137 C LYS A 12 -7.456 22.275 9.586 1.00 0.00 C ATOM 138 O LYS A 12 -8.176 21.318 9.867 1.00 0.00 O ATOM 139 CB LYS A 12 -5.597 22.593 11.229 1.00 0.00 C ATOM 140 CG LYS A 12 -4.376 22.929 10.390 1.00 0.00 C ATOM 141 CD LYS A 12 -3.826 24.304 10.731 1.00 0.00 C ATOM 142 CE LYS A 12 -2.939 24.259 11.966 1.00 0.00 C ATOM 143 NZ LYS A 12 -2.245 25.556 12.198 1.00 0.00 N ATOM 0 H LYS A 12 -7.535 23.064 12.674 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.693 24.160 10.245 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.443 22.960 12.244 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.696 21.509 11.294 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -3.604 22.177 10.552 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -4.639 22.893 9.333 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -3.255 24.689 9.886 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.651 24.996 10.900 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -3.543 24.009 12.838 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -2.199 23.466 11.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -1.651 25.484 13.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -1.648 25.782 11.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -2.951 26.308 12.331 1.00 0.00 H new ATOM 157 N ASN A 13 -7.117 22.584 8.338 1.00 0.00 N ATOM 158 CA ASN A 13 -7.583 21.796 7.203 1.00 0.00 C ATOM 159 C ASN A 13 -7.676 20.318 7.567 1.00 0.00 C ATOM 160 O ASN A 13 -6.755 19.754 8.161 1.00 0.00 O ATOM 161 CB ASN A 13 -6.645 21.981 6.008 1.00 0.00 C ATOM 162 CG ASN A 13 -6.533 23.431 5.580 1.00 0.00 C ATOM 163 OD1 ASN A 13 -5.534 24.096 5.855 1.00 0.00 O ATOM 164 ND2 ASN A 13 -7.561 23.929 4.902 1.00 0.00 N ATOM 0 H ASN A 13 -6.522 23.374 8.088 1.00 0.00 H new ATOM 0 HA ASN A 13 -8.579 22.148 6.933 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -5.655 21.603 6.265 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -7.006 21.385 5.170 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -7.542 24.899 4.587 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -8.369 23.341 4.696 1.00 0.00 H new ATOM 171 N LEU A 14 -8.793 19.695 7.208 1.00 0.00 N ATOM 172 CA LEU A 14 -9.006 18.280 7.496 1.00 0.00 C ATOM 173 C LEU A 14 -9.365 17.514 6.227 1.00 0.00 C ATOM 174 O LEU A 14 -10.332 16.753 6.202 1.00 0.00 O ATOM 175 CB LEU A 14 -10.115 18.114 8.537 1.00 0.00 C ATOM 176 CG LEU A 14 -9.964 16.932 9.495 1.00 0.00 C ATOM 177 CD1 LEU A 14 -10.567 17.263 10.851 1.00 0.00 C ATOM 178 CD2 LEU A 14 -10.613 15.685 8.911 1.00 0.00 C ATOM 0 H LEU A 14 -9.565 20.146 6.717 1.00 0.00 H new ATOM 0 HA LEU A 14 -8.077 17.871 7.894 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -10.172 19.029 9.127 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -11.065 18.012 8.013 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.901 16.734 9.632 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -10.450 16.410 11.519 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -10.057 18.128 11.275 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -11.627 17.488 10.733 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -10.496 14.854 9.607 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -11.674 15.871 8.744 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -10.135 15.436 7.964 1.00 0.00 H new ATOM 190 N ASP A 15 -8.578 17.719 5.177 1.00 0.00 N ATOM 191 CA ASP A 15 -8.811 17.045 3.904 1.00 0.00 C ATOM 192 C ASP A 15 -9.013 15.547 4.112 1.00 0.00 C ATOM 193 O ASP A 15 -9.881 14.936 3.490 1.00 0.00 O ATOM 194 CB ASP A 15 -7.637 17.286 2.953 1.00 0.00 C ATOM 195 CG ASP A 15 -7.694 18.653 2.299 1.00 0.00 C ATOM 196 OD1 ASP A 15 -8.304 19.569 2.889 1.00 0.00 O ATOM 197 OD2 ASP A 15 -7.128 18.806 1.197 1.00 0.00 O ATOM 0 H ASP A 15 -7.773 18.346 5.181 1.00 0.00 H new ATOM 0 HA ASP A 15 -9.718 17.458 3.462 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.701 17.188 3.503 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.635 16.517 2.181 1.00 0.00 H new ATOM 202 N GLY A 16 -8.205 14.962 4.991 1.00 0.00 N ATOM 203 CA GLY A 16 -8.311 13.541 5.264 1.00 0.00 C ATOM 204 C GLY A 16 -7.198 12.741 4.616 1.00 0.00 C ATOM 205 O GLY A 16 -6.699 11.778 5.197 1.00 0.00 O ATOM 0 H GLY A 16 -7.479 15.447 5.519 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -8.291 13.379 6.342 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -9.273 13.176 4.905 1.00 0.00 H new ATOM 209 N GLN A 17 -6.810 13.140 3.409 1.00 0.00 N ATOM 210 CA GLN A 17 -5.750 12.452 2.682 1.00 0.00 C ATOM 211 C GLN A 17 -4.663 11.966 3.634 1.00 0.00 C ATOM 212 O GLN A 17 -4.007 10.956 3.379 1.00 0.00 O ATOM 213 CB GLN A 17 -5.143 13.378 1.626 1.00 0.00 C ATOM 214 CG GLN A 17 -6.074 13.662 0.458 1.00 0.00 C ATOM 215 CD GLN A 17 -5.397 14.442 -0.651 1.00 0.00 C ATOM 216 OE1 GLN A 17 -4.218 14.786 -0.554 1.00 0.00 O ATOM 217 NE2 GLN A 17 -6.140 14.726 -1.714 1.00 0.00 N ATOM 0 H GLN A 17 -7.214 13.936 2.914 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.188 11.585 2.187 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -4.867 14.321 2.097 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.224 12.930 1.247 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -6.447 12.719 0.058 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -6.939 14.222 0.815 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -7.113 14.421 -1.752 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -5.738 15.249 -2.492 1.00 0.00 H new ATOM 226 N PHE A 18 -4.478 12.691 4.732 1.00 0.00 N ATOM 227 CA PHE A 18 -3.469 12.334 5.723 1.00 0.00 C ATOM 228 C PHE A 18 -3.762 10.964 6.328 1.00 0.00 C ATOM 229 O PHE A 18 -4.843 10.729 6.868 1.00 0.00 O ATOM 230 CB PHE A 18 -3.412 13.390 6.828 1.00 0.00 C ATOM 231 CG PHE A 18 -3.131 14.775 6.319 1.00 0.00 C ATOM 232 CD1 PHE A 18 -4.159 15.578 5.853 1.00 0.00 C ATOM 233 CD2 PHE A 18 -1.838 15.274 6.306 1.00 0.00 C ATOM 234 CE1 PHE A 18 -3.904 16.853 5.384 1.00 0.00 C ATOM 235 CE2 PHE A 18 -1.577 16.548 5.839 1.00 0.00 C ATOM 236 CZ PHE A 18 -2.611 17.338 5.376 1.00 0.00 C ATOM 0 H PHE A 18 -5.013 13.529 4.958 1.00 0.00 H new ATOM 0 HA PHE A 18 -2.502 12.291 5.221 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.361 13.394 7.365 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -2.641 13.112 7.546 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -5.172 15.203 5.856 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -1.025 14.660 6.665 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -4.715 17.469 5.024 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.565 16.926 5.836 1.00 0.00 H new ATOM 0 HZ PHE A 18 -2.409 18.333 5.008 1.00 0.00 H new ATOM 246 N CYS A 19 -2.791 10.062 6.233 1.00 0.00 N ATOM 247 CA CYS A 19 -2.942 8.715 6.770 1.00 0.00 C ATOM 248 C CYS A 19 -3.448 8.756 8.209 1.00 0.00 C ATOM 249 O CYS A 19 -3.162 9.696 8.950 1.00 0.00 O ATOM 250 CB CYS A 19 -1.610 7.965 6.707 1.00 0.00 C ATOM 251 SG CYS A 19 -1.656 6.303 7.451 1.00 0.00 S ATOM 0 H CYS A 19 -1.890 10.240 5.789 1.00 0.00 H new ATOM 0 HA CYS A 19 -3.676 8.189 6.160 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -1.304 7.876 5.665 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -0.848 8.557 7.213 1.00 0.00 H new ATOM 256 N GLU A 20 -4.200 7.730 8.596 1.00 0.00 N ATOM 257 CA GLU A 20 -4.746 7.650 9.946 1.00 0.00 C ATOM 258 C GLU A 20 -3.926 6.694 10.808 1.00 0.00 C ATOM 259 O GLU A 20 -3.674 6.963 11.983 1.00 0.00 O ATOM 260 CB GLU A 20 -6.205 7.193 9.904 1.00 0.00 C ATOM 261 CG GLU A 20 -7.187 8.316 9.614 1.00 0.00 C ATOM 262 CD GLU A 20 -7.627 9.044 10.870 1.00 0.00 C ATOM 263 OE1 GLU A 20 -6.892 9.948 11.320 1.00 0.00 O ATOM 264 OE2 GLU A 20 -8.706 8.709 11.401 1.00 0.00 O ATOM 0 H GLU A 20 -4.445 6.944 7.994 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.698 8.644 10.390 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -6.313 6.421 9.142 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -6.461 6.735 10.860 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.727 9.028 8.928 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -8.063 7.907 9.110 1.00 0.00 H new ATOM 271 N ILE A 21 -3.515 5.578 10.216 1.00 0.00 N ATOM 272 CA ILE A 21 -2.724 4.583 10.929 1.00 0.00 C ATOM 273 C ILE A 21 -1.574 5.236 11.688 1.00 0.00 C ATOM 274 O ILE A 21 -1.481 5.125 12.911 1.00 0.00 O ATOM 275 CB ILE A 21 -2.153 3.523 9.968 1.00 0.00 C ATOM 276 CG1 ILE A 21 -3.288 2.796 9.244 1.00 0.00 C ATOM 277 CG2 ILE A 21 -1.282 2.534 10.727 1.00 0.00 C ATOM 278 CD1 ILE A 21 -2.807 1.818 8.195 1.00 0.00 C ATOM 0 H ILE A 21 -3.717 5.340 9.245 1.00 0.00 H new ATOM 0 HA ILE A 21 -3.394 4.096 11.637 1.00 0.00 H new ATOM 0 HB ILE A 21 -1.534 4.024 9.223 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -3.892 2.262 9.977 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -3.938 3.533 8.771 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.886 1.791 10.034 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.456 3.065 11.201 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.879 2.036 11.491 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -3.665 1.340 7.723 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -2.227 2.350 7.440 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -2.182 1.059 8.665 1.00 0.00 H new ATOM 290 N CYS A 22 -0.700 5.918 10.956 1.00 0.00 N ATOM 291 CA CYS A 22 0.444 6.591 11.559 1.00 0.00 C ATOM 292 C CYS A 22 0.159 8.077 11.756 1.00 0.00 C ATOM 293 O CYS A 22 0.438 8.639 12.815 1.00 0.00 O ATOM 294 CB CYS A 22 1.687 6.410 10.686 1.00 0.00 C ATOM 295 SG CYS A 22 1.588 7.244 9.069 1.00 0.00 S ATOM 0 H CYS A 22 -0.762 6.019 9.943 1.00 0.00 H new ATOM 0 HA CYS A 22 0.625 6.141 12.535 1.00 0.00 H new ATOM 0 HB2 CYS A 22 2.555 6.789 11.226 1.00 0.00 H new ATOM 0 HB3 CYS A 22 1.852 5.345 10.524 1.00 0.00 H new ATOM 300 N GLY A 23 -0.399 8.709 10.727 1.00 0.00 N ATOM 301 CA GLY A 23 -0.712 10.124 10.807 1.00 0.00 C ATOM 302 C GLY A 23 -0.103 10.918 9.669 1.00 0.00 C ATOM 303 O GLY A 23 -0.722 11.847 9.151 1.00 0.00 O ATOM 0 H GLY A 23 -0.640 8.266 9.840 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.794 10.255 10.799 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -0.351 10.520 11.756 1.00 0.00 H new ATOM 307 N ASP A 24 1.113 10.552 9.279 1.00 0.00 N ATOM 308 CA ASP A 24 1.806 11.237 8.194 1.00 0.00 C ATOM 309 C ASP A 24 0.847 11.555 7.051 1.00 0.00 C ATOM 310 O ASP A 24 -0.243 10.990 6.969 1.00 0.00 O ATOM 311 CB ASP A 24 2.966 10.382 7.681 1.00 0.00 C ATOM 312 CG ASP A 24 4.117 11.220 7.160 1.00 0.00 C ATOM 313 OD1 ASP A 24 4.512 12.182 7.852 1.00 0.00 O ATOM 314 OD2 ASP A 24 4.623 10.914 6.060 1.00 0.00 O ATOM 0 H ASP A 24 1.639 9.785 9.698 1.00 0.00 H new ATOM 0 HA ASP A 24 2.201 12.175 8.584 1.00 0.00 H new ATOM 0 HB2 ASP A 24 3.323 9.739 8.486 1.00 0.00 H new ATOM 0 HB3 ASP A 24 2.608 9.728 6.886 1.00 0.00 H new ATOM 319 N GLN A 25 1.261 12.463 6.173 1.00 0.00 N ATOM 320 CA GLN A 25 0.438 12.856 5.036 1.00 0.00 C ATOM 321 C GLN A 25 0.680 11.936 3.844 1.00 0.00 C ATOM 322 O GLN A 25 1.796 11.853 3.329 1.00 0.00 O ATOM 323 CB GLN A 25 0.730 14.306 4.645 1.00 0.00 C ATOM 324 CG GLN A 25 -0.204 14.848 3.575 1.00 0.00 C ATOM 325 CD GLN A 25 0.242 16.193 3.038 1.00 0.00 C ATOM 326 OE1 GLN A 25 0.389 17.157 3.789 1.00 0.00 O ATOM 327 NE2 GLN A 25 0.461 16.265 1.730 1.00 0.00 N ATOM 0 H GLN A 25 2.161 12.940 6.227 1.00 0.00 H new ATOM 0 HA GLN A 25 -0.608 12.770 5.330 1.00 0.00 H new ATOM 0 HB2 GLN A 25 0.656 14.935 5.532 1.00 0.00 H new ATOM 0 HB3 GLN A 25 1.758 14.377 4.289 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.262 14.134 2.753 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.208 14.941 3.988 1.00 0.00 H new ATOM 0 HE21 GLN A 25 0.327 15.441 1.144 1.00 0.00 H new ATOM 0 HE22 GLN A 25 0.763 17.144 1.311 1.00 0.00 H new ATOM 336 N ILE A 26 -0.371 11.248 3.411 1.00 0.00 N ATOM 337 CA ILE A 26 -0.271 10.335 2.279 1.00 0.00 C ATOM 338 C ILE A 26 0.180 11.067 1.020 1.00 0.00 C ATOM 339 O ILE A 26 -0.521 11.942 0.512 1.00 0.00 O ATOM 340 CB ILE A 26 -1.615 9.637 1.999 1.00 0.00 C ATOM 341 CG1 ILE A 26 -2.068 8.843 3.227 1.00 0.00 C ATOM 342 CG2 ILE A 26 -1.496 8.725 0.787 1.00 0.00 C ATOM 343 CD1 ILE A 26 -3.455 8.257 3.089 1.00 0.00 C ATOM 0 H ILE A 26 -1.301 11.305 3.826 1.00 0.00 H new ATOM 0 HA ILE A 26 0.472 9.583 2.545 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.365 10.398 1.784 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.358 8.036 3.410 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.043 9.494 4.101 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.454 8.239 0.602 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.214 9.314 -0.085 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.735 7.968 0.975 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.710 7.708 3.996 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -4.176 9.060 2.936 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -3.481 7.580 2.235 1.00 0.00 H new ATOM 355 N GLY A 27 1.356 10.703 0.519 1.00 0.00 N ATOM 356 CA GLY A 27 1.881 11.334 -0.679 1.00 0.00 C ATOM 357 C GLY A 27 1.093 10.966 -1.920 1.00 0.00 C ATOM 358 O GLY A 27 -0.105 10.692 -1.846 1.00 0.00 O ATOM 0 H GLY A 27 1.955 9.982 0.921 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.868 12.416 -0.552 1.00 0.00 H new ATOM 0 HA3 GLY A 27 2.922 11.042 -0.813 1.00 0.00 H new ATOM 362 N LEU A 28 1.766 10.962 -3.066 1.00 0.00 N ATOM 363 CA LEU A 28 1.120 10.627 -4.331 1.00 0.00 C ATOM 364 C LEU A 28 1.668 9.318 -4.891 1.00 0.00 C ATOM 365 O LEU A 28 2.680 8.801 -4.416 1.00 0.00 O ATOM 366 CB LEU A 28 1.325 11.754 -5.344 1.00 0.00 C ATOM 367 CG LEU A 28 0.828 13.136 -4.920 1.00 0.00 C ATOM 368 CD1 LEU A 28 1.191 14.178 -5.966 1.00 0.00 C ATOM 369 CD2 LEU A 28 -0.676 13.114 -4.686 1.00 0.00 C ATOM 0 H LEU A 28 2.758 11.187 -3.145 1.00 0.00 H new ATOM 0 HA LEU A 28 0.053 10.503 -4.146 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.389 11.826 -5.567 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.823 11.478 -6.271 1.00 0.00 H new ATOM 0 HG LEU A 28 1.317 13.405 -3.984 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.829 15.155 -5.647 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.274 14.213 -6.084 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.731 13.914 -6.918 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.012 14.106 -4.385 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.183 12.823 -5.606 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.911 12.397 -3.899 1.00 0.00 H new ATOM 381 N THR A 29 0.993 8.787 -5.906 1.00 0.00 N ATOM 382 CA THR A 29 1.412 7.539 -6.533 1.00 0.00 C ATOM 383 C THR A 29 2.507 7.783 -7.565 1.00 0.00 C ATOM 384 O THR A 29 2.839 8.927 -7.874 1.00 0.00 O ATOM 385 CB THR A 29 0.228 6.828 -7.215 1.00 0.00 C ATOM 386 OG1 THR A 29 -0.232 7.601 -8.329 1.00 0.00 O ATOM 387 CG2 THR A 29 -0.914 6.615 -6.233 1.00 0.00 C ATOM 0 H THR A 29 0.154 9.202 -6.311 1.00 0.00 H new ATOM 0 HA THR A 29 1.801 6.901 -5.739 1.00 0.00 H new ATOM 0 HB THR A 29 0.571 5.855 -7.566 1.00 0.00 H new ATOM 0 HG1 THR A 29 -0.820 8.317 -8.010 1.00 0.00 H new ATOM 0 HG21 THR A 29 -1.739 6.111 -6.738 1.00 0.00 H new ATOM 0 HG22 THR A 29 -0.569 6.001 -5.401 1.00 0.00 H new ATOM 0 HG23 THR A 29 -1.254 7.579 -5.856 1.00 0.00 H new ATOM 395 N VAL A 30 3.065 6.699 -8.095 1.00 0.00 N ATOM 396 CA VAL A 30 4.122 6.795 -9.095 1.00 0.00 C ATOM 397 C VAL A 30 3.737 7.760 -10.211 1.00 0.00 C ATOM 398 O VAL A 30 4.580 8.491 -10.730 1.00 0.00 O ATOM 399 CB VAL A 30 4.442 5.419 -9.708 1.00 0.00 C ATOM 400 CG1 VAL A 30 5.515 5.547 -10.778 1.00 0.00 C ATOM 401 CG2 VAL A 30 4.871 4.440 -8.626 1.00 0.00 C ATOM 0 H VAL A 30 2.803 5.745 -7.849 1.00 0.00 H new ATOM 0 HA VAL A 30 5.008 7.171 -8.584 1.00 0.00 H new ATOM 0 HB VAL A 30 3.538 5.032 -10.178 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.728 4.565 -11.199 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.164 6.212 -11.567 1.00 0.00 H new ATOM 0 HG13 VAL A 30 6.423 5.956 -10.335 1.00 0.00 H new ATOM 0 HG21 VAL A 30 5.093 3.473 -9.077 1.00 0.00 H new ATOM 0 HG22 VAL A 30 5.761 4.819 -8.124 1.00 0.00 H new ATOM 0 HG23 VAL A 30 4.066 4.325 -7.900 1.00 0.00 H new ATOM 411 N GLU A 31 2.459 7.757 -10.573 1.00 0.00 N ATOM 412 CA GLU A 31 1.962 8.633 -11.629 1.00 0.00 C ATOM 413 C GLU A 31 1.711 10.040 -11.095 1.00 0.00 C ATOM 414 O GLU A 31 2.090 11.030 -11.719 1.00 0.00 O ATOM 415 CB GLU A 31 0.674 8.066 -12.229 1.00 0.00 C ATOM 416 CG GLU A 31 0.896 6.839 -13.098 1.00 0.00 C ATOM 417 CD GLU A 31 -0.372 6.376 -13.788 1.00 0.00 C ATOM 418 OE1 GLU A 31 -0.658 6.871 -14.898 1.00 0.00 O ATOM 419 OE2 GLU A 31 -1.078 5.518 -13.219 1.00 0.00 O ATOM 0 H GLU A 31 1.748 7.159 -10.152 1.00 0.00 H new ATOM 0 HA GLU A 31 2.723 8.689 -12.408 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.011 7.809 -11.421 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.189 8.840 -12.824 1.00 0.00 H new ATOM 0 HG2 GLU A 31 1.653 7.063 -13.849 1.00 0.00 H new ATOM 0 HG3 GLU A 31 1.287 6.029 -12.483 1.00 0.00 H new ATOM 426 N GLY A 32 1.068 10.120 -9.934 1.00 0.00 N ATOM 427 CA GLY A 32 0.775 11.409 -9.335 1.00 0.00 C ATOM 428 C GLY A 32 -0.539 11.413 -8.580 1.00 0.00 C ATOM 429 O GLY A 32 -0.727 12.200 -7.651 1.00 0.00 O ATOM 0 H GLY A 32 0.745 9.315 -9.398 1.00 0.00 H new ATOM 0 HA2 GLY A 32 1.582 11.682 -8.655 1.00 0.00 H new ATOM 0 HA3 GLY A 32 0.745 12.170 -10.115 1.00 0.00 H new ATOM 433 N ASP A 33 -1.452 10.535 -8.980 1.00 0.00 N ATOM 434 CA ASP A 33 -2.757 10.441 -8.336 1.00 0.00 C ATOM 435 C ASP A 33 -2.609 10.090 -6.858 1.00 0.00 C ATOM 436 O ASP A 33 -1.547 9.649 -6.417 1.00 0.00 O ATOM 437 CB ASP A 33 -3.621 9.392 -9.037 1.00 0.00 C ATOM 438 CG ASP A 33 -4.270 9.927 -10.299 1.00 0.00 C ATOM 439 OD1 ASP A 33 -3.543 10.480 -11.151 1.00 0.00 O ATOM 440 OD2 ASP A 33 -5.503 9.792 -10.435 1.00 0.00 O ATOM 0 H ASP A 33 -1.312 9.878 -9.748 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.244 11.413 -8.414 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.007 8.527 -9.286 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -4.395 9.046 -8.352 1.00 0.00 H new ATOM 445 N LEU A 34 -3.680 10.290 -6.098 1.00 0.00 N ATOM 446 CA LEU A 34 -3.669 9.996 -4.669 1.00 0.00 C ATOM 447 C LEU A 34 -3.556 8.495 -4.423 1.00 0.00 C ATOM 448 O LEU A 34 -4.288 7.701 -5.014 1.00 0.00 O ATOM 449 CB LEU A 34 -4.938 10.538 -4.008 1.00 0.00 C ATOM 450 CG LEU A 34 -4.852 10.795 -2.503 1.00 0.00 C ATOM 451 CD1 LEU A 34 -4.821 9.481 -1.738 1.00 0.00 C ATOM 452 CD2 LEU A 34 -3.627 11.635 -2.174 1.00 0.00 C ATOM 0 H LEU A 34 -4.567 10.654 -6.447 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.800 10.484 -4.229 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.211 11.471 -4.501 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.749 9.833 -4.190 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.740 11.349 -2.197 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.760 9.684 -0.669 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -5.729 8.916 -1.949 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.952 8.900 -2.047 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.582 11.808 -1.099 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.728 11.109 -2.495 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.692 12.591 -2.693 1.00 0.00 H new ATOM 464 N PHE A 35 -2.635 8.113 -3.545 1.00 0.00 N ATOM 465 CA PHE A 35 -2.426 6.707 -3.219 1.00 0.00 C ATOM 466 C PHE A 35 -3.632 6.135 -2.479 1.00 0.00 C ATOM 467 O PHE A 35 -3.667 6.112 -1.249 1.00 0.00 O ATOM 468 CB PHE A 35 -1.166 6.540 -2.368 1.00 0.00 C ATOM 469 CG PHE A 35 -0.857 5.110 -2.027 1.00 0.00 C ATOM 470 CD1 PHE A 35 -0.331 4.255 -2.983 1.00 0.00 C ATOM 471 CD2 PHE A 35 -1.091 4.621 -0.752 1.00 0.00 C ATOM 472 CE1 PHE A 35 -0.047 2.939 -2.672 1.00 0.00 C ATOM 473 CE2 PHE A 35 -0.808 3.306 -0.436 1.00 0.00 C ATOM 474 CZ PHE A 35 -0.284 2.464 -1.397 1.00 0.00 C ATOM 0 H PHE A 35 -2.021 8.757 -3.046 1.00 0.00 H new ATOM 0 HA PHE A 35 -2.301 6.159 -4.153 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.318 6.969 -2.901 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -1.283 7.108 -1.445 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -0.141 4.621 -3.981 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -1.499 5.275 0.004 1.00 0.00 H new ATOM 0 HE1 PHE A 35 0.360 2.282 -3.426 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -0.996 2.937 0.561 1.00 0.00 H new ATOM 0 HZ PHE A 35 -0.060 1.436 -1.152 1.00 0.00 H new ATOM 484 N VAL A 36 -4.621 5.675 -3.239 1.00 0.00 N ATOM 485 CA VAL A 36 -5.829 5.102 -2.658 1.00 0.00 C ATOM 486 C VAL A 36 -5.563 3.710 -2.098 1.00 0.00 C ATOM 487 O VAL A 36 -5.823 2.704 -2.758 1.00 0.00 O ATOM 488 CB VAL A 36 -6.966 5.019 -3.694 1.00 0.00 C ATOM 489 CG1 VAL A 36 -8.199 4.372 -3.083 1.00 0.00 C ATOM 490 CG2 VAL A 36 -7.293 6.401 -4.237 1.00 0.00 C ATOM 0 H VAL A 36 -4.609 5.688 -4.259 1.00 0.00 H new ATOM 0 HA VAL A 36 -6.134 5.764 -1.847 1.00 0.00 H new ATOM 0 HB VAL A 36 -6.633 4.397 -4.525 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -8.992 4.322 -3.830 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -7.953 3.365 -2.747 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -8.538 4.965 -2.233 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -8.098 6.324 -4.968 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -7.607 7.049 -3.418 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -6.409 6.823 -4.715 1.00 0.00 H new ATOM 500 N ALA A 37 -5.044 3.658 -0.875 1.00 0.00 N ATOM 501 CA ALA A 37 -4.745 2.389 -0.225 1.00 0.00 C ATOM 502 C ALA A 37 -5.964 1.473 -0.223 1.00 0.00 C ATOM 503 O ALA A 37 -5.895 0.328 -0.672 1.00 0.00 O ATOM 504 CB ALA A 37 -4.258 2.626 1.197 1.00 0.00 C ATOM 0 H ALA A 37 -4.822 4.481 -0.315 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.954 1.897 -0.791 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -4.038 1.669 1.671 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.355 3.236 1.175 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -5.031 3.143 1.765 1.00 0.00 H new ATOM 510 N CYS A 38 -7.081 1.982 0.287 1.00 0.00 N ATOM 511 CA CYS A 38 -8.316 1.210 0.349 1.00 0.00 C ATOM 512 C CYS A 38 -9.453 1.945 -0.355 1.00 0.00 C ATOM 513 O CYS A 38 -9.566 3.167 -0.263 1.00 0.00 O ATOM 514 CB CYS A 38 -8.696 0.934 1.805 1.00 0.00 C ATOM 515 SG CYS A 38 -9.981 -0.341 2.009 1.00 0.00 S ATOM 0 H CYS A 38 -7.156 2.927 0.664 1.00 0.00 H new ATOM 0 HA CYS A 38 -8.149 0.262 -0.162 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -7.804 0.626 2.350 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -9.044 1.861 2.261 1.00 0.00 H new ATOM 520 N ASN A 39 -10.293 1.191 -1.056 1.00 0.00 N ATOM 521 CA ASN A 39 -11.421 1.770 -1.776 1.00 0.00 C ATOM 522 C ASN A 39 -12.745 1.312 -1.172 1.00 0.00 C ATOM 523 O ASN A 39 -13.687 2.094 -1.052 1.00 0.00 O ATOM 524 CB ASN A 39 -11.362 1.384 -3.255 1.00 0.00 C ATOM 525 CG ASN A 39 -12.269 2.244 -4.114 1.00 0.00 C ATOM 526 OD1 ASN A 39 -13.490 2.084 -4.101 1.00 0.00 O ATOM 527 ND2 ASN A 39 -11.674 3.162 -4.867 1.00 0.00 N ATOM 0 H ASN A 39 -10.214 0.178 -1.141 1.00 0.00 H new ATOM 0 HA ASN A 39 -11.357 2.855 -1.688 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.336 1.475 -3.611 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -11.646 0.338 -3.366 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -12.232 3.770 -5.466 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -10.659 3.259 -4.846 1.00 0.00 H new ATOM 534 N GLU A 40 -12.807 0.039 -0.793 1.00 0.00 N ATOM 535 CA GLU A 40 -14.015 -0.523 -0.201 1.00 0.00 C ATOM 536 C GLU A 40 -14.592 0.416 0.855 1.00 0.00 C ATOM 537 O GLU A 40 -15.737 0.856 0.751 1.00 0.00 O ATOM 538 CB GLU A 40 -13.717 -1.888 0.423 1.00 0.00 C ATOM 539 CG GLU A 40 -14.961 -2.712 0.709 1.00 0.00 C ATOM 540 CD GLU A 40 -15.678 -2.266 1.969 1.00 0.00 C ATOM 541 OE1 GLU A 40 -15.080 -2.367 3.060 1.00 0.00 O ATOM 542 OE2 GLU A 40 -16.839 -1.816 1.863 1.00 0.00 O ATOM 0 H GLU A 40 -12.035 -0.622 -0.885 1.00 0.00 H new ATOM 0 HA GLU A 40 -14.753 -0.647 -0.994 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -13.066 -2.450 -0.247 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -13.168 -1.741 1.353 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -15.643 -2.639 -0.138 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -14.683 -3.762 0.805 1.00 0.00 H new ATOM 549 N CYS A 41 -13.790 0.717 1.871 1.00 0.00 N ATOM 550 CA CYS A 41 -14.219 1.602 2.947 1.00 0.00 C ATOM 551 C CYS A 41 -13.635 3.000 2.767 1.00 0.00 C ATOM 552 O CYS A 41 -14.299 4.001 3.033 1.00 0.00 O ATOM 553 CB CYS A 41 -13.798 1.031 4.303 1.00 0.00 C ATOM 554 SG CYS A 41 -12.112 1.496 4.813 1.00 0.00 S ATOM 0 H CYS A 41 -12.839 0.361 1.972 1.00 0.00 H new ATOM 0 HA CYS A 41 -15.306 1.675 2.913 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -14.503 1.370 5.063 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -13.868 -0.056 4.265 1.00 0.00 H new ATOM 559 N GLY A 42 -12.386 3.060 2.313 1.00 0.00 N ATOM 560 CA GLY A 42 -11.733 4.339 2.105 1.00 0.00 C ATOM 561 C GLY A 42 -10.837 4.727 3.264 1.00 0.00 C ATOM 562 O GLY A 42 -10.770 5.898 3.641 1.00 0.00 O ATOM 0 H GLY A 42 -11.815 2.246 2.086 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -11.141 4.297 1.190 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -12.489 5.110 1.960 1.00 0.00 H new ATOM 566 N PHE A 43 -10.148 3.744 3.833 1.00 0.00 N ATOM 567 CA PHE A 43 -9.253 3.989 4.958 1.00 0.00 C ATOM 568 C PHE A 43 -7.951 4.630 4.488 1.00 0.00 C ATOM 569 O PHE A 43 -7.240 4.098 3.635 1.00 0.00 O ATOM 570 CB PHE A 43 -8.954 2.680 5.693 1.00 0.00 C ATOM 571 CG PHE A 43 -8.189 2.872 6.972 1.00 0.00 C ATOM 572 CD1 PHE A 43 -8.656 3.735 7.951 1.00 0.00 C ATOM 573 CD2 PHE A 43 -7.004 2.190 7.195 1.00 0.00 C ATOM 574 CE1 PHE A 43 -7.954 3.914 9.128 1.00 0.00 C ATOM 575 CE2 PHE A 43 -6.298 2.365 8.370 1.00 0.00 C ATOM 576 CZ PHE A 43 -6.774 3.227 9.338 1.00 0.00 C ATOM 0 H PHE A 43 -10.192 2.770 3.534 1.00 0.00 H new ATOM 0 HA PHE A 43 -9.750 4.677 5.642 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -9.894 2.174 5.913 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -8.385 2.024 5.034 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -9.579 4.273 7.792 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -6.628 1.514 6.442 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -8.328 4.590 9.883 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -5.375 1.828 8.531 1.00 0.00 H new ATOM 0 HZ PHE A 43 -6.225 3.364 10.258 1.00 0.00 H new ATOM 586 N PRO A 44 -7.629 5.801 5.057 1.00 0.00 N ATOM 587 CA PRO A 44 -6.412 6.541 4.712 1.00 0.00 C ATOM 588 C PRO A 44 -5.150 5.843 5.207 1.00 0.00 C ATOM 589 O PRO A 44 -4.857 5.844 6.402 1.00 0.00 O ATOM 590 CB PRO A 44 -6.597 7.882 5.428 1.00 0.00 C ATOM 591 CG PRO A 44 -7.511 7.581 6.565 1.00 0.00 C ATOM 592 CD PRO A 44 -8.430 6.493 6.081 1.00 0.00 C ATOM 0 HA PRO A 44 -6.282 6.632 3.634 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -5.644 8.278 5.780 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -7.027 8.630 4.762 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -6.950 7.257 7.441 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -8.075 8.467 6.857 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -8.717 5.820 6.889 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -9.351 6.901 5.663 1.00 0.00 H new ATOM 600 N ALA A 45 -4.406 5.249 4.280 1.00 0.00 N ATOM 601 CA ALA A 45 -3.173 4.549 4.622 1.00 0.00 C ATOM 602 C ALA A 45 -2.057 4.893 3.643 1.00 0.00 C ATOM 603 O ALA A 45 -2.136 4.571 2.457 1.00 0.00 O ATOM 604 CB ALA A 45 -3.410 3.047 4.650 1.00 0.00 C ATOM 0 H ALA A 45 -4.635 5.238 3.286 1.00 0.00 H new ATOM 0 HA ALA A 45 -2.862 4.875 5.615 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -2.482 2.537 4.907 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -4.171 2.812 5.395 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -3.748 2.714 3.669 1.00 0.00 H new ATOM 610 N CYS A 46 -1.016 5.550 4.145 1.00 0.00 N ATOM 611 CA CYS A 46 0.117 5.939 3.315 1.00 0.00 C ATOM 612 C CYS A 46 0.734 4.722 2.632 1.00 0.00 C ATOM 613 O CYS A 46 0.248 3.601 2.781 1.00 0.00 O ATOM 614 CB CYS A 46 1.173 6.654 4.159 1.00 0.00 C ATOM 615 SG CYS A 46 1.810 5.663 5.548 1.00 0.00 S ATOM 0 H CYS A 46 -0.934 5.824 5.124 1.00 0.00 H new ATOM 0 HA CYS A 46 -0.246 6.621 2.546 1.00 0.00 H new ATOM 0 HB2 CYS A 46 2.006 6.937 3.516 1.00 0.00 H new ATOM 0 HB3 CYS A 46 0.746 7.577 4.551 1.00 0.00 H new ATOM 620 N ARG A 47 1.808 4.952 1.884 1.00 0.00 N ATOM 621 CA ARG A 47 2.492 3.875 1.177 1.00 0.00 C ATOM 622 C ARG A 47 3.165 2.922 2.160 1.00 0.00 C ATOM 623 O ARG A 47 2.965 1.707 2.122 1.00 0.00 O ATOM 624 CB ARG A 47 3.532 4.448 0.213 1.00 0.00 C ATOM 625 CG ARG A 47 3.625 3.692 -1.102 1.00 0.00 C ATOM 626 CD ARG A 47 4.014 4.613 -2.248 1.00 0.00 C ATOM 627 NE ARG A 47 5.260 5.326 -1.979 1.00 0.00 N ATOM 628 CZ ARG A 47 6.464 4.794 -2.157 1.00 0.00 C ATOM 629 NH1 ARG A 47 6.584 3.551 -2.602 1.00 0.00 N ATOM 630 NH2 ARG A 47 7.551 5.506 -1.889 1.00 0.00 N ATOM 0 H ARG A 47 2.224 5.874 1.752 1.00 0.00 H new ATOM 0 HA ARG A 47 1.748 3.318 0.608 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.288 5.490 0.007 1.00 0.00 H new ATOM 0 HB3 ARG A 47 4.508 4.439 0.698 1.00 0.00 H new ATOM 0 HG2 ARG A 47 4.359 2.892 -1.012 1.00 0.00 H new ATOM 0 HG3 ARG A 47 2.666 3.222 -1.321 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.121 4.029 -3.162 1.00 0.00 H new ATOM 0 HD3 ARG A 47 3.214 5.333 -2.422 1.00 0.00 H new ATOM 0 HE ARG A 47 5.202 6.285 -1.636 1.00 0.00 H new ATOM 0 HH11 ARG A 47 5.750 3.001 -2.809 1.00 0.00 H new ATOM 0 HH12 ARG A 47 7.510 3.145 -2.738 1.00 0.00 H new ATOM 0 HH21 ARG A 47 7.462 6.463 -1.546 1.00 0.00 H new ATOM 0 HH22 ARG A 47 8.475 5.097 -2.026 1.00 0.00 H new ATOM 644 N PRO A 48 3.984 3.483 3.062 1.00 0.00 N ATOM 645 CA PRO A 48 4.704 2.701 4.072 1.00 0.00 C ATOM 646 C PRO A 48 3.771 2.124 5.132 1.00 0.00 C ATOM 647 O PRO A 48 4.213 1.718 6.207 1.00 0.00 O ATOM 648 CB PRO A 48 5.658 3.722 4.697 1.00 0.00 C ATOM 649 CG PRO A 48 5.000 5.040 4.475 1.00 0.00 C ATOM 650 CD PRO A 48 4.270 4.923 3.166 1.00 0.00 C ATOM 0 HA PRO A 48 5.207 1.838 3.637 1.00 0.00 H new ATOM 0 HB2 PRO A 48 5.806 3.527 5.759 1.00 0.00 H new ATOM 0 HB3 PRO A 48 6.641 3.686 4.226 1.00 0.00 H new ATOM 0 HG2 PRO A 48 4.311 5.274 5.287 1.00 0.00 H new ATOM 0 HG3 PRO A 48 5.736 5.843 4.441 1.00 0.00 H new ATOM 0 HD2 PRO A 48 3.355 5.516 3.162 1.00 0.00 H new ATOM 0 HD3 PRO A 48 4.880 5.273 2.333 1.00 0.00 H new ATOM 658 N CYS A 49 2.480 2.092 4.822 1.00 0.00 N ATOM 659 CA CYS A 49 1.484 1.565 5.748 1.00 0.00 C ATOM 660 C CYS A 49 0.656 0.466 5.088 1.00 0.00 C ATOM 661 O CYS A 49 0.305 -0.528 5.724 1.00 0.00 O ATOM 662 CB CYS A 49 0.566 2.688 6.235 1.00 0.00 C ATOM 663 SG CYS A 49 1.120 3.485 7.777 1.00 0.00 S ATOM 0 H CYS A 49 2.098 2.425 3.937 1.00 0.00 H new ATOM 0 HA CYS A 49 2.008 1.137 6.602 1.00 0.00 H new ATOM 0 HB2 CYS A 49 0.490 3.445 5.454 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -0.435 2.285 6.386 1.00 0.00 H new ATOM 668 N TYR A 50 0.346 0.653 3.810 1.00 0.00 N ATOM 669 CA TYR A 50 -0.442 -0.321 3.064 1.00 0.00 C ATOM 670 C TYR A 50 0.426 -1.488 2.604 1.00 0.00 C ATOM 671 O TYR A 50 0.015 -2.645 2.673 1.00 0.00 O ATOM 672 CB TYR A 50 -1.103 0.345 1.856 1.00 0.00 C ATOM 673 CG TYR A 50 -1.744 -0.635 0.899 1.00 0.00 C ATOM 674 CD1 TYR A 50 -0.967 -1.446 0.081 1.00 0.00 C ATOM 675 CD2 TYR A 50 -3.126 -0.751 0.815 1.00 0.00 C ATOM 676 CE1 TYR A 50 -1.548 -2.342 -0.795 1.00 0.00 C ATOM 677 CE2 TYR A 50 -3.716 -1.646 -0.057 1.00 0.00 C ATOM 678 CZ TYR A 50 -2.923 -2.439 -0.860 1.00 0.00 C ATOM 679 OH TYR A 50 -3.505 -3.332 -1.730 1.00 0.00 O ATOM 0 H TYR A 50 0.628 1.470 3.269 1.00 0.00 H new ATOM 0 HA TYR A 50 -1.216 -0.708 3.727 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -1.861 1.045 2.207 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -0.355 0.928 1.319 1.00 0.00 H new ATOM 0 HD1 TYR A 50 0.109 -1.375 0.131 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -3.750 -0.131 1.442 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.929 -2.963 -1.426 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -4.792 -1.724 -0.109 1.00 0.00 H new ATOM 0 HH TYR A 50 -2.963 -3.397 -2.544 1.00 0.00 H new ATOM 689 N GLU A 51 1.630 -1.173 2.136 1.00 0.00 N ATOM 690 CA GLU A 51 2.557 -2.195 1.664 1.00 0.00 C ATOM 691 C GLU A 51 2.851 -3.211 2.764 1.00 0.00 C ATOM 692 O GLU A 51 2.726 -4.418 2.558 1.00 0.00 O ATOM 693 CB GLU A 51 3.860 -1.551 1.186 1.00 0.00 C ATOM 694 CG GLU A 51 3.755 -0.911 -0.188 1.00 0.00 C ATOM 695 CD GLU A 51 5.090 -0.843 -0.904 1.00 0.00 C ATOM 696 OE1 GLU A 51 5.979 -1.658 -0.581 1.00 0.00 O ATOM 697 OE2 GLU A 51 5.244 0.025 -1.788 1.00 0.00 O ATOM 0 H GLU A 51 1.986 -0.219 2.074 1.00 0.00 H new ATOM 0 HA GLU A 51 2.090 -2.716 0.828 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.167 -0.794 1.908 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.644 -2.308 1.166 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.050 -1.478 -0.796 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.350 0.096 -0.086 1.00 0.00 H new ATOM 704 N TYR A 52 3.244 -2.713 3.931 1.00 0.00 N ATOM 705 CA TYR A 52 3.560 -3.576 5.063 1.00 0.00 C ATOM 706 C TYR A 52 2.407 -4.530 5.359 1.00 0.00 C ATOM 707 O TYR A 52 2.604 -5.738 5.485 1.00 0.00 O ATOM 708 CB TYR A 52 3.872 -2.735 6.301 1.00 0.00 C ATOM 709 CG TYR A 52 3.466 -3.395 7.600 1.00 0.00 C ATOM 710 CD1 TYR A 52 3.755 -4.732 7.842 1.00 0.00 C ATOM 711 CD2 TYR A 52 2.793 -2.681 8.584 1.00 0.00 C ATOM 712 CE1 TYR A 52 3.385 -5.340 9.027 1.00 0.00 C ATOM 713 CE2 TYR A 52 2.421 -3.280 9.772 1.00 0.00 C ATOM 714 CZ TYR A 52 2.718 -4.609 9.988 1.00 0.00 C ATOM 715 OH TYR A 52 2.350 -5.210 11.170 1.00 0.00 O ATOM 0 H TYR A 52 3.351 -1.716 4.118 1.00 0.00 H new ATOM 0 HA TYR A 52 4.438 -4.167 4.803 1.00 0.00 H new ATOM 0 HB2 TYR A 52 4.942 -2.526 6.328 1.00 0.00 H new ATOM 0 HB3 TYR A 52 3.362 -1.775 6.216 1.00 0.00 H new ATOM 0 HD1 TYR A 52 4.278 -5.306 7.091 1.00 0.00 H new ATOM 0 HD2 TYR A 52 2.557 -1.640 8.417 1.00 0.00 H new ATOM 0 HE1 TYR A 52 3.617 -6.381 9.199 1.00 0.00 H new ATOM 0 HE2 TYR A 52 1.900 -2.710 10.528 1.00 0.00 H new ATOM 0 HH TYR A 52 1.890 -4.558 11.739 1.00 0.00 H new ATOM 725 N GLU A 53 1.203 -3.977 5.467 1.00 0.00 N ATOM 726 CA GLU A 53 0.018 -4.779 5.749 1.00 0.00 C ATOM 727 C GLU A 53 -0.027 -6.015 4.856 1.00 0.00 C ATOM 728 O GLU A 53 -0.636 -7.026 5.208 1.00 0.00 O ATOM 729 CB GLU A 53 -1.249 -3.944 5.547 1.00 0.00 C ATOM 730 CG GLU A 53 -2.514 -4.632 6.030 1.00 0.00 C ATOM 731 CD GLU A 53 -2.829 -4.323 7.481 1.00 0.00 C ATOM 732 OE1 GLU A 53 -2.476 -3.218 7.943 1.00 0.00 O ATOM 733 OE2 GLU A 53 -3.429 -5.187 8.154 1.00 0.00 O ATOM 0 H GLU A 53 1.022 -2.978 5.364 1.00 0.00 H new ATOM 0 HA GLU A 53 0.069 -5.104 6.788 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.137 -2.996 6.074 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.355 -3.710 4.488 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.352 -4.322 5.406 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.407 -5.710 5.907 1.00 0.00 H new ATOM 740 N ARG A 54 0.620 -5.927 3.699 1.00 0.00 N ATOM 741 CA ARG A 54 0.653 -7.037 2.755 1.00 0.00 C ATOM 742 C ARG A 54 1.911 -7.879 2.949 1.00 0.00 C ATOM 743 O ARG A 54 1.920 -9.076 2.661 1.00 0.00 O ATOM 744 CB ARG A 54 0.592 -6.515 1.318 1.00 0.00 C ATOM 745 CG ARG A 54 -0.822 -6.392 0.774 1.00 0.00 C ATOM 746 CD ARG A 54 -0.850 -5.619 -0.535 1.00 0.00 C ATOM 747 NE ARG A 54 0.028 -6.212 -1.540 1.00 0.00 N ATOM 748 CZ ARG A 54 -0.292 -7.284 -2.255 1.00 0.00 C ATOM 749 NH1 ARG A 54 -1.464 -7.879 -2.076 1.00 0.00 N ATOM 750 NH2 ARG A 54 0.561 -7.765 -3.151 1.00 0.00 N ATOM 0 H ARG A 54 1.129 -5.098 3.393 1.00 0.00 H new ATOM 0 HA ARG A 54 -0.217 -7.666 2.943 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.075 -5.539 1.274 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.163 -7.183 0.673 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.241 -7.386 0.620 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.453 -5.890 1.508 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.870 -5.590 -0.917 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.548 -4.587 -0.353 1.00 0.00 H new ATOM 0 HE ARG A 54 0.937 -5.779 -1.702 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -2.122 -7.513 -1.388 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -1.707 -8.702 -2.627 1.00 0.00 H new ATOM 0 HH21 ARG A 54 1.464 -7.311 -3.291 1.00 0.00 H new ATOM 0 HH22 ARG A 54 0.314 -8.589 -3.700 1.00 0.00 H new ATOM 764 N ARG A 55 2.972 -7.244 3.438 1.00 0.00 N ATOM 765 CA ARG A 55 4.235 -7.934 3.668 1.00 0.00 C ATOM 766 C ARG A 55 4.222 -8.659 5.010 1.00 0.00 C ATOM 767 O ARG A 55 4.085 -9.881 5.064 1.00 0.00 O ATOM 768 CB ARG A 55 5.398 -6.940 3.625 1.00 0.00 C ATOM 769 CG ARG A 55 6.633 -7.415 4.373 1.00 0.00 C ATOM 770 CD ARG A 55 7.006 -8.838 3.985 1.00 0.00 C ATOM 771 NE ARG A 55 8.068 -8.871 2.982 1.00 0.00 N ATOM 772 CZ ARG A 55 9.360 -8.947 3.282 1.00 0.00 C ATOM 773 NH1 ARG A 55 9.748 -8.998 4.549 1.00 0.00 N ATOM 774 NH2 ARG A 55 10.266 -8.973 2.313 1.00 0.00 N ATOM 0 H ARG A 55 2.981 -6.254 3.682 1.00 0.00 H new ATOM 0 HA ARG A 55 4.366 -8.672 2.877 1.00 0.00 H new ATOM 0 HB2 ARG A 55 5.664 -6.750 2.585 1.00 0.00 H new ATOM 0 HB3 ARG A 55 5.070 -5.991 4.049 1.00 0.00 H new ATOM 0 HG2 ARG A 55 7.468 -6.748 4.160 1.00 0.00 H new ATOM 0 HG3 ARG A 55 6.451 -7.365 5.447 1.00 0.00 H new ATOM 0 HD2 ARG A 55 7.328 -9.383 4.872 1.00 0.00 H new ATOM 0 HD3 ARG A 55 6.126 -9.351 3.598 1.00 0.00 H new ATOM 0 HE ARG A 55 7.803 -8.834 1.998 1.00 0.00 H new ATOM 0 HH11 ARG A 55 9.054 -8.979 5.296 1.00 0.00 H new ATOM 0 HH12 ARG A 55 10.741 -9.056 4.776 1.00 0.00 H new ATOM 0 HH21 ARG A 55 9.971 -8.935 1.337 1.00 0.00 H new ATOM 0 HH22 ARG A 55 11.258 -9.031 2.544 1.00 0.00 H new ATOM 788 N GLU A 56 4.366 -7.898 6.090 1.00 0.00 N ATOM 789 CA GLU A 56 4.371 -8.469 7.432 1.00 0.00 C ATOM 790 C GLU A 56 2.988 -8.375 8.069 1.00 0.00 C ATOM 791 O GLU A 56 2.825 -8.617 9.264 1.00 0.00 O ATOM 792 CB GLU A 56 5.400 -7.754 8.310 1.00 0.00 C ATOM 793 CG GLU A 56 6.780 -8.388 8.271 1.00 0.00 C ATOM 794 CD GLU A 56 6.967 -9.445 9.342 1.00 0.00 C ATOM 795 OE1 GLU A 56 7.370 -9.083 10.468 1.00 0.00 O ATOM 796 OE2 GLU A 56 6.712 -10.633 9.056 1.00 0.00 O ATOM 0 H GLU A 56 4.481 -6.885 6.062 1.00 0.00 H new ATOM 0 HA GLU A 56 4.643 -9.521 7.351 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.478 -6.715 7.991 1.00 0.00 H new ATOM 0 HB3 GLU A 56 5.043 -7.745 9.340 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.942 -8.837 7.291 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.536 -7.612 8.395 1.00 0.00 H new ATOM 803 N GLY A 57 1.993 -8.020 7.261 1.00 0.00 N ATOM 804 CA GLY A 57 0.637 -7.898 7.764 1.00 0.00 C ATOM 805 C GLY A 57 -0.226 -9.089 7.396 1.00 0.00 C ATOM 806 O GLY A 57 0.286 -10.152 7.043 1.00 0.00 O ATOM 0 H GLY A 57 2.102 -7.815 6.268 1.00 0.00 H new ATOM 0 HA2 GLY A 57 0.663 -7.793 8.849 1.00 0.00 H new ATOM 0 HA3 GLY A 57 0.185 -6.989 7.366 1.00 0.00 H new ATOM 810 N THR A 58 -1.541 -8.913 7.479 1.00 0.00 N ATOM 811 CA THR A 58 -2.477 -9.982 7.155 1.00 0.00 C ATOM 812 C THR A 58 -3.264 -9.659 5.890 1.00 0.00 C ATOM 813 O THR A 58 -4.241 -10.334 5.567 1.00 0.00 O ATOM 814 CB THR A 58 -3.465 -10.232 8.310 1.00 0.00 C ATOM 815 OG1 THR A 58 -4.166 -9.024 8.626 1.00 0.00 O ATOM 816 CG2 THR A 58 -2.736 -10.740 9.545 1.00 0.00 C ATOM 0 H THR A 58 -1.982 -8.040 7.768 1.00 0.00 H new ATOM 0 HA THR A 58 -1.885 -10.882 6.991 1.00 0.00 H new ATOM 0 HB THR A 58 -4.178 -10.992 7.991 1.00 0.00 H new ATOM 0 HG1 THR A 58 -5.124 -9.149 8.462 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.454 -10.909 10.347 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.228 -11.675 9.309 1.00 0.00 H new ATOM 0 HG23 THR A 58 -2.003 -10.000 9.865 1.00 0.00 H new ATOM 824 N GLN A 59 -2.831 -8.624 5.177 1.00 0.00 N ATOM 825 CA GLN A 59 -3.496 -8.213 3.947 1.00 0.00 C ATOM 826 C GLN A 59 -4.974 -7.930 4.195 1.00 0.00 C ATOM 827 O GLN A 59 -5.820 -8.209 3.346 1.00 0.00 O ATOM 828 CB GLN A 59 -3.344 -9.293 2.874 1.00 0.00 C ATOM 829 CG GLN A 59 -1.898 -9.648 2.568 1.00 0.00 C ATOM 830 CD GLN A 59 -1.764 -10.963 1.825 1.00 0.00 C ATOM 831 OE1 GLN A 59 -2.530 -11.250 0.905 1.00 0.00 O ATOM 832 NE2 GLN A 59 -0.787 -11.770 2.221 1.00 0.00 N ATOM 0 H GLN A 59 -2.023 -8.055 5.430 1.00 0.00 H new ATOM 0 HA GLN A 59 -3.023 -7.295 3.598 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -3.869 -10.192 3.198 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -3.828 -8.954 1.958 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -1.451 -8.852 1.973 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -1.336 -9.703 3.501 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -0.175 -11.492 2.988 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -0.648 -12.668 1.758 1.00 0.00 H new ATOM 841 N ASN A 60 -5.277 -7.375 5.364 1.00 0.00 N ATOM 842 CA ASN A 60 -6.654 -7.056 5.724 1.00 0.00 C ATOM 843 C ASN A 60 -6.754 -5.642 6.289 1.00 0.00 C ATOM 844 O ASN A 60 -6.126 -5.319 7.298 1.00 0.00 O ATOM 845 CB ASN A 60 -7.182 -8.064 6.746 1.00 0.00 C ATOM 846 CG ASN A 60 -6.717 -9.478 6.457 1.00 0.00 C ATOM 847 OD1 ASN A 60 -6.459 -10.243 7.512 1.00 0.00 O flip ATOM 848 ND2 ASN A 60 -6.591 -9.878 5.300 1.00 0.00 N flip ATOM 0 H ASN A 60 -4.588 -7.137 6.078 1.00 0.00 H new ATOM 0 HA ASN A 60 -7.262 -7.112 4.821 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -6.852 -7.773 7.743 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.272 -8.036 6.750 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.801 -9.256 4.520 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.277 -10.832 5.122 1.00 0.00 H new ATOM 855 N CYS A 61 -7.548 -4.803 5.632 1.00 0.00 N ATOM 856 CA CYS A 61 -7.732 -3.424 6.067 1.00 0.00 C ATOM 857 C CYS A 61 -8.104 -3.366 7.546 1.00 0.00 C ATOM 858 O CYS A 61 -9.038 -4.026 8.003 1.00 0.00 O ATOM 859 CB CYS A 61 -8.815 -2.743 5.229 1.00 0.00 C ATOM 860 SG CYS A 61 -9.105 -0.998 5.665 1.00 0.00 S ATOM 0 H CYS A 61 -8.075 -5.055 4.796 1.00 0.00 H new ATOM 0 HA CYS A 61 -6.789 -2.896 5.927 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -8.536 -2.802 4.177 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -9.748 -3.295 5.343 1.00 0.00 H new ATOM 865 N PRO A 62 -7.359 -2.556 8.312 1.00 0.00 N ATOM 866 CA PRO A 62 -7.592 -2.391 9.750 1.00 0.00 C ATOM 867 C PRO A 62 -8.886 -1.639 10.045 1.00 0.00 C ATOM 868 O PRO A 62 -9.199 -1.355 11.200 1.00 0.00 O ATOM 869 CB PRO A 62 -6.383 -1.575 10.214 1.00 0.00 C ATOM 870 CG PRO A 62 -5.935 -0.837 9.000 1.00 0.00 C ATOM 871 CD PRO A 62 -6.230 -1.739 7.834 1.00 0.00 C ATOM 0 HA PRO A 62 -7.697 -3.350 10.258 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -6.653 -0.889 11.017 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -5.594 -2.221 10.598 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -6.463 0.111 8.903 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -4.871 -0.605 9.055 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -6.495 -1.170 6.943 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -5.369 -2.355 7.575 1.00 0.00 H new ATOM 879 N GLN A 63 -9.633 -1.322 8.992 1.00 0.00 N ATOM 880 CA GLN A 63 -10.893 -0.603 9.140 1.00 0.00 C ATOM 881 C GLN A 63 -12.065 -1.455 8.663 1.00 0.00 C ATOM 882 O GLN A 63 -13.106 -1.520 9.317 1.00 0.00 O ATOM 883 CB GLN A 63 -10.850 0.710 8.357 1.00 0.00 C ATOM 884 CG GLN A 63 -12.206 1.384 8.225 1.00 0.00 C ATOM 885 CD GLN A 63 -12.103 2.895 8.153 1.00 0.00 C ATOM 886 OE1 GLN A 63 -11.387 3.517 8.938 1.00 0.00 O ATOM 887 NE2 GLN A 63 -12.819 3.494 7.209 1.00 0.00 N ATOM 0 H GLN A 63 -9.388 -1.551 8.029 1.00 0.00 H new ATOM 0 HA GLN A 63 -11.035 -0.382 10.198 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -10.160 1.395 8.850 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -10.451 0.517 7.361 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -12.705 1.015 7.329 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -12.830 1.106 9.075 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -13.399 2.939 6.580 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -12.789 4.509 7.113 1.00 0.00 H new ATOM 896 N CYS A 64 -11.888 -2.107 7.518 1.00 0.00 N ATOM 897 CA CYS A 64 -12.930 -2.955 6.952 1.00 0.00 C ATOM 898 C CYS A 64 -12.441 -4.392 6.801 1.00 0.00 C ATOM 899 O CYS A 64 -13.234 -5.313 6.603 1.00 0.00 O ATOM 900 CB CYS A 64 -13.377 -2.411 5.593 1.00 0.00 C ATOM 901 SG CYS A 64 -12.057 -2.374 4.338 1.00 0.00 S ATOM 0 H CYS A 64 -11.032 -2.064 6.964 1.00 0.00 H new ATOM 0 HA CYS A 64 -13.779 -2.949 7.636 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -14.200 -3.022 5.222 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -13.765 -1.401 5.727 1.00 0.00 H new ATOM 906 N LYS A 65 -11.128 -4.577 6.896 1.00 0.00 N ATOM 907 CA LYS A 65 -10.531 -5.901 6.772 1.00 0.00 C ATOM 908 C LYS A 65 -10.948 -6.566 5.464 1.00 0.00 C ATOM 909 O LYS A 65 -11.471 -7.681 5.461 1.00 0.00 O ATOM 910 CB LYS A 65 -10.939 -6.780 7.956 1.00 0.00 C ATOM 911 CG LYS A 65 -10.739 -6.113 9.306 1.00 0.00 C ATOM 912 CD LYS A 65 -9.339 -6.355 9.845 1.00 0.00 C ATOM 913 CE LYS A 65 -9.245 -6.016 11.325 1.00 0.00 C ATOM 914 NZ LYS A 65 -9.802 -7.102 12.179 1.00 0.00 N ATOM 0 H LYS A 65 -10.457 -3.826 7.059 1.00 0.00 H new ATOM 0 HA LYS A 65 -9.447 -5.784 6.770 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -11.988 -7.056 7.848 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -10.362 -7.704 7.928 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -10.914 -5.041 9.213 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -11.474 -6.495 10.014 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -9.064 -7.399 9.692 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.624 -5.752 9.286 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.203 -5.842 11.592 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -9.783 -5.088 11.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -9.720 -6.833 13.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -10.804 -7.251 11.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -9.272 -7.981 12.012 1.00 0.00 H new ATOM 928 N THR A 66 -10.711 -5.876 4.353 1.00 0.00 N ATOM 929 CA THR A 66 -11.062 -6.400 3.039 1.00 0.00 C ATOM 930 C THR A 66 -9.818 -6.824 2.266 1.00 0.00 C ATOM 931 O THR A 66 -8.783 -6.159 2.324 1.00 0.00 O ATOM 932 CB THR A 66 -11.839 -5.360 2.209 1.00 0.00 C ATOM 933 OG1 THR A 66 -13.015 -4.950 2.914 1.00 0.00 O ATOM 934 CG2 THR A 66 -12.227 -5.931 0.853 1.00 0.00 C ATOM 0 H THR A 66 -10.277 -4.953 4.337 1.00 0.00 H new ATOM 0 HA THR A 66 -11.697 -7.270 3.205 1.00 0.00 H new ATOM 0 HB THR A 66 -11.192 -4.497 2.051 1.00 0.00 H new ATOM 0 HG1 THR A 66 -12.806 -4.174 3.476 1.00 0.00 H new ATOM 0 HG21 THR A 66 -12.775 -5.179 0.285 1.00 0.00 H new ATOM 0 HG22 THR A 66 -11.327 -6.215 0.307 1.00 0.00 H new ATOM 0 HG23 THR A 66 -12.857 -6.809 0.995 1.00 0.00 H new ATOM 942 N ARG A 67 -9.927 -7.933 1.542 1.00 0.00 N ATOM 943 CA ARG A 67 -8.810 -8.446 0.758 1.00 0.00 C ATOM 944 C ARG A 67 -8.087 -7.312 0.036 1.00 0.00 C ATOM 945 O ARG A 67 -8.718 -6.449 -0.575 1.00 0.00 O ATOM 946 CB ARG A 67 -9.303 -9.478 -0.257 1.00 0.00 C ATOM 947 CG ARG A 67 -10.384 -8.950 -1.186 1.00 0.00 C ATOM 948 CD ARG A 67 -10.334 -9.633 -2.544 1.00 0.00 C ATOM 949 NE ARG A 67 -11.022 -8.857 -3.573 1.00 0.00 N ATOM 950 CZ ARG A 67 -12.342 -8.846 -3.724 1.00 0.00 C ATOM 951 NH1 ARG A 67 -13.111 -9.565 -2.918 1.00 0.00 N ATOM 952 NH2 ARG A 67 -12.895 -8.115 -4.683 1.00 0.00 N ATOM 0 H ARG A 67 -10.777 -8.493 1.482 1.00 0.00 H new ATOM 0 HA ARG A 67 -8.109 -8.925 1.441 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -8.458 -9.820 -0.854 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -9.688 -10.346 0.278 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -11.363 -9.108 -0.734 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -10.262 -7.874 -1.314 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -9.295 -9.782 -2.837 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -10.789 -10.621 -2.470 1.00 0.00 H new ATOM 0 HE ARG A 67 -10.459 -8.293 -4.210 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -12.690 -10.129 -2.180 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -14.124 -9.555 -3.036 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -12.307 -7.561 -5.305 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -13.908 -8.107 -4.798 1.00 0.00 H new ATOM 966 N TYR A 68 -6.760 -7.321 0.111 1.00 0.00 N ATOM 967 CA TYR A 68 -5.952 -6.292 -0.532 1.00 0.00 C ATOM 968 C TYR A 68 -5.827 -6.554 -2.030 1.00 0.00 C ATOM 969 O TYR A 68 -6.238 -7.604 -2.525 1.00 0.00 O ATOM 970 CB TYR A 68 -4.562 -6.235 0.104 1.00 0.00 C ATOM 971 CG TYR A 68 -4.454 -5.236 1.235 1.00 0.00 C ATOM 972 CD1 TYR A 68 -5.429 -5.168 2.222 1.00 0.00 C ATOM 973 CD2 TYR A 68 -3.378 -4.361 1.315 1.00 0.00 C ATOM 974 CE1 TYR A 68 -5.336 -4.257 3.257 1.00 0.00 C ATOM 975 CE2 TYR A 68 -3.275 -3.448 2.347 1.00 0.00 C ATOM 976 CZ TYR A 68 -4.257 -3.400 3.315 1.00 0.00 C ATOM 977 OH TYR A 68 -4.159 -2.491 4.343 1.00 0.00 O ATOM 0 H TYR A 68 -6.222 -8.029 0.610 1.00 0.00 H new ATOM 0 HA TYR A 68 -6.450 -5.333 -0.389 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -4.302 -7.225 0.479 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -3.830 -5.983 -0.664 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -6.274 -5.839 2.180 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -2.609 -4.395 0.558 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -6.104 -4.216 4.016 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -2.431 -2.776 2.396 1.00 0.00 H new ATOM 0 HH TYR A 68 -3.340 -1.964 4.237 1.00 0.00 H new ATOM 987 N LYS A 69 -5.256 -5.592 -2.747 1.00 0.00 N ATOM 988 CA LYS A 69 -5.074 -5.717 -4.188 1.00 0.00 C ATOM 989 C LYS A 69 -3.716 -5.170 -4.614 1.00 0.00 C ATOM 990 O LYS A 69 -3.267 -4.138 -4.113 1.00 0.00 O ATOM 991 CB LYS A 69 -6.190 -4.977 -4.929 1.00 0.00 C ATOM 992 CG LYS A 69 -6.071 -3.464 -4.854 1.00 0.00 C ATOM 993 CD LYS A 69 -6.481 -2.940 -3.488 1.00 0.00 C ATOM 994 CE LYS A 69 -6.838 -1.463 -3.542 1.00 0.00 C ATOM 995 NZ LYS A 69 -7.751 -1.072 -2.432 1.00 0.00 N ATOM 0 H LYS A 69 -4.911 -4.717 -2.353 1.00 0.00 H new ATOM 0 HA LYS A 69 -5.116 -6.776 -4.445 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.184 -5.282 -5.975 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.152 -5.278 -4.514 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -5.043 -3.168 -5.065 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.697 -3.010 -5.622 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -7.335 -3.509 -3.120 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -5.667 -3.093 -2.779 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -5.927 -0.867 -3.490 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -7.311 -1.239 -4.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -8.507 -0.461 -2.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -8.171 -1.925 -2.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -7.214 -0.556 -1.706 1.00 0.00 H new ATOM 1009 N ARG A 70 -3.067 -5.866 -5.542 1.00 0.00 N ATOM 1010 CA ARG A 70 -1.760 -5.449 -6.035 1.00 0.00 C ATOM 1011 C ARG A 70 -1.801 -4.006 -6.531 1.00 0.00 C ATOM 1012 O ARG A 70 -2.612 -3.657 -7.390 1.00 0.00 O ATOM 1013 CB ARG A 70 -1.298 -6.374 -7.162 1.00 0.00 C ATOM 1014 CG ARG A 70 0.212 -6.427 -7.326 1.00 0.00 C ATOM 1015 CD ARG A 70 0.647 -7.668 -8.090 1.00 0.00 C ATOM 1016 NE ARG A 70 0.653 -7.448 -9.533 1.00 0.00 N ATOM 1017 CZ ARG A 70 1.410 -8.138 -10.379 1.00 0.00 C ATOM 1018 NH1 ARG A 70 2.217 -9.088 -9.927 1.00 0.00 N ATOM 1019 NH2 ARG A 70 1.360 -7.879 -11.679 1.00 0.00 N ATOM 0 H ARG A 70 -3.425 -6.721 -5.967 1.00 0.00 H new ATOM 0 HA ARG A 70 -1.051 -5.511 -5.209 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -1.670 -7.381 -6.970 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -1.745 -6.043 -8.099 1.00 0.00 H new ATOM 0 HG2 ARG A 70 0.553 -5.536 -7.853 1.00 0.00 H new ATOM 0 HG3 ARG A 70 0.686 -6.418 -6.345 1.00 0.00 H new ATOM 0 HD2 ARG A 70 1.644 -7.963 -7.764 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -0.023 -8.494 -7.852 1.00 0.00 H new ATOM 0 HE ARG A 70 0.042 -6.725 -9.913 1.00 0.00 H new ATOM 0 HH11 ARG A 70 2.257 -9.290 -8.928 1.00 0.00 H new ATOM 0 HH12 ARG A 70 2.797 -9.617 -10.578 1.00 0.00 H new ATOM 0 HH21 ARG A 70 0.740 -7.149 -12.030 1.00 0.00 H new ATOM 0 HH22 ARG A 70 1.942 -8.410 -12.327 1.00 0.00 H new ATOM 1033 N LEU A 71 -0.923 -3.173 -5.985 1.00 0.00 N ATOM 1034 CA LEU A 71 -0.858 -1.768 -6.372 1.00 0.00 C ATOM 1035 C LEU A 71 0.496 -1.435 -6.989 1.00 0.00 C ATOM 1036 O LEU A 71 1.328 -2.317 -7.198 1.00 0.00 O ATOM 1037 CB LEU A 71 -1.113 -0.873 -5.158 1.00 0.00 C ATOM 1038 CG LEU A 71 -2.490 -1.001 -4.506 1.00 0.00 C ATOM 1039 CD1 LEU A 71 -2.550 -0.191 -3.220 1.00 0.00 C ATOM 1040 CD2 LEU A 71 -3.580 -0.555 -5.470 1.00 0.00 C ATOM 0 H LEU A 71 -0.246 -3.446 -5.273 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.631 -1.586 -7.119 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.355 -1.091 -4.405 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.972 0.165 -5.461 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.657 -2.049 -4.259 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.538 -0.295 -2.771 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.795 -0.556 -2.524 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.361 0.859 -3.442 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.553 -0.653 -4.989 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.416 0.486 -5.748 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.553 -1.178 -6.364 1.00 0.00 H new ATOM 1052 N ARG A 72 0.711 -0.155 -7.275 1.00 0.00 N ATOM 1053 CA ARG A 72 1.965 0.295 -7.867 1.00 0.00 C ATOM 1054 C ARG A 72 3.157 -0.166 -7.033 1.00 0.00 C ATOM 1055 O ARG A 72 4.018 -0.900 -7.516 1.00 0.00 O ATOM 1056 CB ARG A 72 1.976 1.820 -7.992 1.00 0.00 C ATOM 1057 CG ARG A 72 1.155 2.342 -9.159 1.00 0.00 C ATOM 1058 CD ARG A 72 1.991 2.450 -10.425 1.00 0.00 C ATOM 1059 NE ARG A 72 2.002 1.202 -11.183 1.00 0.00 N ATOM 1060 CZ ARG A 72 2.960 0.871 -12.040 1.00 0.00 C ATOM 1061 NH1 ARG A 72 3.981 1.692 -12.248 1.00 0.00 N ATOM 1062 NH2 ARG A 72 2.900 -0.283 -12.692 1.00 0.00 N ATOM 0 H ARG A 72 0.033 0.588 -7.106 1.00 0.00 H new ATOM 0 HA ARG A 72 2.047 -0.145 -8.861 1.00 0.00 H new ATOM 0 HB2 ARG A 72 1.595 2.254 -7.068 1.00 0.00 H new ATOM 0 HB3 ARG A 72 3.006 2.159 -8.103 1.00 0.00 H new ATOM 0 HG2 ARG A 72 0.309 1.678 -9.336 1.00 0.00 H new ATOM 0 HG3 ARG A 72 0.745 3.320 -8.908 1.00 0.00 H new ATOM 0 HD2 ARG A 72 1.598 3.251 -11.051 1.00 0.00 H new ATOM 0 HD3 ARG A 72 3.013 2.723 -10.162 1.00 0.00 H new ATOM 0 HE ARG A 72 1.231 0.548 -11.046 1.00 0.00 H new ATOM 0 HH11 ARG A 72 4.031 2.580 -11.749 1.00 0.00 H new ATOM 0 HH12 ARG A 72 4.716 1.435 -12.907 1.00 0.00 H new ATOM 0 HH21 ARG A 72 2.117 -0.917 -12.535 1.00 0.00 H new ATOM 0 HH22 ARG A 72 3.637 -0.536 -13.350 1.00 0.00 H new ATOM 1076 N GLY A 73 3.199 0.271 -5.778 1.00 0.00 N ATOM 1077 CA GLY A 73 4.289 -0.107 -4.898 1.00 0.00 C ATOM 1078 C GLY A 73 4.112 -1.497 -4.319 1.00 0.00 C ATOM 1079 O GLY A 73 4.784 -2.440 -4.735 1.00 0.00 O ATOM 0 H GLY A 73 2.498 0.880 -5.355 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.228 -0.063 -5.449 1.00 0.00 H new ATOM 0 HA3 GLY A 73 4.362 0.615 -4.085 1.00 0.00 H new ATOM 1083 N SER A 74 3.204 -1.624 -3.356 1.00 0.00 N ATOM 1084 CA SER A 74 2.945 -2.908 -2.715 1.00 0.00 C ATOM 1085 C SER A 74 3.094 -4.053 -3.712 1.00 0.00 C ATOM 1086 O SER A 74 2.195 -4.345 -4.500 1.00 0.00 O ATOM 1087 CB SER A 74 1.540 -2.925 -2.109 1.00 0.00 C ATOM 1088 OG SER A 74 0.561 -3.189 -3.099 1.00 0.00 O ATOM 0 H SER A 74 2.636 -0.854 -3.003 1.00 0.00 H new ATOM 0 HA SER A 74 3.678 -3.044 -1.920 1.00 0.00 H new ATOM 0 HB2 SER A 74 1.486 -3.684 -1.328 1.00 0.00 H new ATOM 0 HB3 SER A 74 1.333 -1.965 -1.635 1.00 0.00 H new ATOM 0 HG SER A 74 0.765 -4.039 -3.542 1.00 0.00 H new ATOM 1094 N PRO A 75 4.259 -4.718 -3.678 1.00 0.00 N ATOM 1095 CA PRO A 75 4.555 -5.842 -4.571 1.00 0.00 C ATOM 1096 C PRO A 75 3.727 -7.079 -4.241 1.00 0.00 C ATOM 1097 O PRO A 75 3.271 -7.248 -3.110 1.00 0.00 O ATOM 1098 CB PRO A 75 6.041 -6.111 -4.322 1.00 0.00 C ATOM 1099 CG PRO A 75 6.292 -5.602 -2.944 1.00 0.00 C ATOM 1100 CD PRO A 75 5.376 -4.423 -2.765 1.00 0.00 C ATOM 0 HA PRO A 75 4.318 -5.611 -5.609 1.00 0.00 H new ATOM 0 HB2 PRO A 75 6.269 -7.174 -4.399 1.00 0.00 H new ATOM 0 HB3 PRO A 75 6.664 -5.597 -5.054 1.00 0.00 H new ATOM 0 HG2 PRO A 75 6.087 -6.372 -2.200 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.334 -5.309 -2.820 1.00 0.00 H new ATOM 0 HD2 PRO A 75 5.038 -4.330 -1.733 1.00 0.00 H new ATOM 0 HD3 PRO A 75 5.870 -3.487 -3.024 1.00 0.00 H new ATOM 1108 N ARG A 76 3.537 -7.941 -5.234 1.00 0.00 N ATOM 1109 CA ARG A 76 2.763 -9.162 -5.048 1.00 0.00 C ATOM 1110 C ARG A 76 3.178 -9.879 -3.767 1.00 0.00 C ATOM 1111 O ARG A 76 4.329 -9.791 -3.339 1.00 0.00 O ATOM 1112 CB ARG A 76 2.945 -10.094 -6.248 1.00 0.00 C ATOM 1113 CG ARG A 76 2.503 -11.524 -5.981 1.00 0.00 C ATOM 1114 CD ARG A 76 3.648 -12.369 -5.445 1.00 0.00 C ATOM 1115 NE ARG A 76 3.329 -13.794 -5.460 1.00 0.00 N ATOM 1116 CZ ARG A 76 4.033 -14.712 -4.806 1.00 0.00 C ATOM 1117 NH1 ARG A 76 5.090 -14.355 -4.089 1.00 0.00 N ATOM 1118 NH2 ARG A 76 3.680 -15.989 -4.867 1.00 0.00 N ATOM 0 H ARG A 76 3.909 -7.816 -6.176 1.00 0.00 H new ATOM 0 HA ARG A 76 1.712 -8.887 -4.966 1.00 0.00 H new ATOM 0 HB2 ARG A 76 2.380 -9.700 -7.093 1.00 0.00 H new ATOM 0 HB3 ARG A 76 3.995 -10.096 -6.540 1.00 0.00 H new ATOM 0 HG2 ARG A 76 1.682 -11.525 -5.264 1.00 0.00 H new ATOM 0 HG3 ARG A 76 2.122 -11.966 -6.902 1.00 0.00 H new ATOM 0 HD2 ARG A 76 4.541 -12.191 -6.044 1.00 0.00 H new ATOM 0 HD3 ARG A 76 3.881 -12.060 -4.426 1.00 0.00 H new ATOM 0 HE ARG A 76 2.522 -14.102 -6.002 1.00 0.00 H new ATOM 0 HH11 ARG A 76 5.364 -13.374 -4.039 1.00 0.00 H new ATOM 0 HH12 ARG A 76 5.629 -15.062 -3.588 1.00 0.00 H new ATOM 0 HH21 ARG A 76 2.867 -16.268 -5.416 1.00 0.00 H new ATOM 0 HH22 ARG A 76 4.221 -16.692 -4.364 1.00 0.00 H new ATOM 1132 N VAL A 77 2.232 -10.588 -3.159 1.00 0.00 N ATOM 1133 CA VAL A 77 2.499 -11.321 -1.927 1.00 0.00 C ATOM 1134 C VAL A 77 1.701 -12.618 -1.875 1.00 0.00 C ATOM 1135 O VAL A 77 0.915 -12.911 -2.776 1.00 0.00 O ATOM 1136 CB VAL A 77 2.161 -10.473 -0.686 1.00 0.00 C ATOM 1137 CG1 VAL A 77 3.052 -9.242 -0.621 1.00 0.00 C ATOM 1138 CG2 VAL A 77 0.692 -10.079 -0.694 1.00 0.00 C ATOM 0 H VAL A 77 1.274 -10.670 -3.500 1.00 0.00 H new ATOM 0 HA VAL A 77 3.564 -11.553 -1.921 1.00 0.00 H new ATOM 0 HB VAL A 77 2.347 -11.073 0.204 1.00 0.00 H new ATOM 0 HG11 VAL A 77 2.798 -8.656 0.262 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.096 -9.551 -0.564 1.00 0.00 H new ATOM 0 HG13 VAL A 77 2.901 -8.636 -1.514 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.471 -9.480 0.190 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.476 -9.497 -1.590 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.074 -10.977 -0.688 1.00 0.00 H new ATOM 1148 N GLU A 78 1.907 -13.392 -0.814 1.00 0.00 N ATOM 1149 CA GLU A 78 1.206 -14.660 -0.646 1.00 0.00 C ATOM 1150 C GLU A 78 -0.304 -14.445 -0.603 1.00 0.00 C ATOM 1151 O GLU A 78 -0.824 -13.793 0.302 1.00 0.00 O ATOM 1152 CB GLU A 78 1.669 -15.358 0.634 1.00 0.00 C ATOM 1153 CG GLU A 78 3.159 -15.659 0.659 1.00 0.00 C ATOM 1154 CD GLU A 78 3.992 -14.450 1.035 1.00 0.00 C ATOM 1155 OE1 GLU A 78 3.525 -13.644 1.867 1.00 0.00 O ATOM 1156 OE2 GLU A 78 5.111 -14.309 0.498 1.00 0.00 O ATOM 0 H GLU A 78 2.553 -13.164 -0.058 1.00 0.00 H new ATOM 0 HA GLU A 78 1.442 -15.292 -1.502 1.00 0.00 H new ATOM 0 HB2 GLU A 78 1.419 -14.731 1.490 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.117 -16.291 0.749 1.00 0.00 H new ATOM 0 HG2 GLU A 78 3.351 -16.463 1.369 1.00 0.00 H new ATOM 0 HG3 GLU A 78 3.470 -16.019 -0.322 1.00 0.00 H new ATOM 1163 N GLY A 79 -1.003 -14.998 -1.589 1.00 0.00 N ATOM 1164 CA GLY A 79 -2.446 -14.855 -1.646 1.00 0.00 C ATOM 1165 C GLY A 79 -2.927 -14.364 -2.997 1.00 0.00 C ATOM 1166 O GLY A 79 -3.883 -14.901 -3.557 1.00 0.00 O ATOM 0 H GLY A 79 -0.596 -15.542 -2.349 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -2.912 -15.815 -1.425 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -2.770 -14.158 -0.873 1.00 0.00 H new ATOM 1170 N ASP A 80 -2.265 -13.339 -3.522 1.00 0.00 N ATOM 1171 CA ASP A 80 -2.630 -12.774 -4.816 1.00 0.00 C ATOM 1172 C ASP A 80 -2.674 -13.857 -5.889 1.00 0.00 C ATOM 1173 O ASP A 80 -2.501 -15.040 -5.597 1.00 0.00 O ATOM 1174 CB ASP A 80 -1.639 -11.680 -5.217 1.00 0.00 C ATOM 1175 CG ASP A 80 -2.060 -10.309 -4.726 1.00 0.00 C ATOM 1176 OD1 ASP A 80 -3.265 -9.992 -4.815 1.00 0.00 O ATOM 1177 OD2 ASP A 80 -1.185 -9.553 -4.255 1.00 0.00 O ATOM 0 H ASP A 80 -1.472 -12.882 -3.071 1.00 0.00 H new ATOM 0 HA ASP A 80 -3.624 -12.337 -4.726 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -0.655 -11.920 -4.815 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -1.544 -11.660 -6.303 1.00 0.00 H new ATOM 1182 N GLU A 81 -2.907 -13.444 -7.131 1.00 0.00 N ATOM 1183 CA GLU A 81 -2.975 -14.380 -8.247 1.00 0.00 C ATOM 1184 C GLU A 81 -3.787 -15.616 -7.871 1.00 0.00 C ATOM 1185 O GLU A 81 -3.579 -16.699 -8.420 1.00 0.00 O ATOM 1186 CB GLU A 81 -1.567 -14.794 -8.681 1.00 0.00 C ATOM 1187 CG GLU A 81 -1.460 -15.131 -10.159 1.00 0.00 C ATOM 1188 CD GLU A 81 -0.035 -15.059 -10.672 1.00 0.00 C ATOM 1189 OE1 GLU A 81 0.662 -14.074 -10.352 1.00 0.00 O ATOM 1190 OE2 GLU A 81 0.383 -15.989 -11.394 1.00 0.00 O ATOM 0 H GLU A 81 -3.052 -12.468 -7.389 1.00 0.00 H new ATOM 0 HA GLU A 81 -3.471 -13.879 -9.078 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -0.873 -13.986 -8.450 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -1.255 -15.659 -8.096 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.853 -16.133 -10.329 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -2.083 -14.443 -10.731 1.00 0.00 H new ATOM 1197 N ASP A 82 -4.712 -15.446 -6.933 1.00 0.00 N ATOM 1198 CA ASP A 82 -5.556 -16.547 -6.484 1.00 0.00 C ATOM 1199 C ASP A 82 -6.854 -16.023 -5.876 1.00 0.00 C ATOM 1200 O ASP A 82 -7.112 -14.820 -5.884 1.00 0.00 O ATOM 1201 CB ASP A 82 -4.810 -17.406 -5.461 1.00 0.00 C ATOM 1202 CG ASP A 82 -5.216 -18.865 -5.524 1.00 0.00 C ATOM 1203 OD1 ASP A 82 -5.058 -19.479 -6.600 1.00 0.00 O ATOM 1204 OD2 ASP A 82 -5.694 -19.393 -4.498 1.00 0.00 O ATOM 0 H ASP A 82 -4.896 -14.557 -6.469 1.00 0.00 H new ATOM 0 HA ASP A 82 -5.803 -17.160 -7.351 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -3.737 -17.323 -5.634 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -5.002 -17.021 -4.459 1.00 0.00 H new ATOM 1209 N GLU A 83 -7.666 -16.935 -5.351 1.00 0.00 N ATOM 1210 CA GLU A 83 -8.938 -16.565 -4.741 1.00 0.00 C ATOM 1211 C GLU A 83 -9.136 -17.290 -3.413 1.00 0.00 C ATOM 1212 O GLU A 83 -9.791 -18.330 -3.355 1.00 0.00 O ATOM 1213 CB GLU A 83 -10.096 -16.885 -5.688 1.00 0.00 C ATOM 1214 CG GLU A 83 -11.454 -16.462 -5.155 1.00 0.00 C ATOM 1215 CD GLU A 83 -12.598 -17.212 -5.810 1.00 0.00 C ATOM 1216 OE1 GLU A 83 -12.871 -16.953 -7.001 1.00 0.00 O ATOM 1217 OE2 GLU A 83 -13.220 -18.056 -5.132 1.00 0.00 O ATOM 0 H GLU A 83 -7.466 -17.935 -5.336 1.00 0.00 H new ATOM 0 HA GLU A 83 -8.921 -15.492 -4.550 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -9.920 -16.390 -6.643 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -10.109 -17.957 -5.882 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -11.485 -16.628 -4.078 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -11.586 -15.392 -5.317 1.00 0.00 H new ATOM 1224 N GLU A 84 -8.565 -16.733 -2.350 1.00 0.00 N ATOM 1225 CA GLU A 84 -8.678 -17.327 -1.024 1.00 0.00 C ATOM 1226 C GLU A 84 -9.365 -16.370 -0.055 1.00 0.00 C ATOM 1227 O GLU A 84 -8.712 -15.724 0.765 1.00 0.00 O ATOM 1228 CB GLU A 84 -7.294 -17.704 -0.490 1.00 0.00 C ATOM 1229 CG GLU A 84 -6.815 -19.071 -0.951 1.00 0.00 C ATOM 1230 CD GLU A 84 -5.565 -19.527 -0.223 1.00 0.00 C ATOM 1231 OE1 GLU A 84 -5.685 -19.986 0.932 1.00 0.00 O ATOM 1232 OE2 GLU A 84 -4.468 -19.424 -0.810 1.00 0.00 O ATOM 0 H GLU A 84 -8.020 -15.872 -2.381 1.00 0.00 H new ATOM 0 HA GLU A 84 -9.285 -18.228 -1.109 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -6.574 -16.950 -0.807 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -7.317 -17.685 0.600 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.609 -19.802 -0.795 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -6.616 -19.040 -2.022 1.00 0.00 H new ATOM 1239 N ASP A 85 -10.687 -16.283 -0.156 1.00 0.00 N ATOM 1240 CA ASP A 85 -11.465 -15.405 0.710 1.00 0.00 C ATOM 1241 C ASP A 85 -12.519 -16.195 1.479 1.00 0.00 C ATOM 1242 O ASP A 85 -13.635 -16.392 0.996 1.00 0.00 O ATOM 1243 CB ASP A 85 -12.134 -14.303 -0.112 1.00 0.00 C ATOM 1244 CG ASP A 85 -12.920 -13.334 0.749 1.00 0.00 C ATOM 1245 OD1 ASP A 85 -13.877 -13.776 1.417 1.00 0.00 O ATOM 1246 OD2 ASP A 85 -12.577 -12.133 0.754 1.00 0.00 O ATOM 0 H ASP A 85 -11.242 -16.810 -0.830 1.00 0.00 H new ATOM 0 HA ASP A 85 -10.784 -14.948 1.428 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -11.373 -13.755 -0.668 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -12.801 -14.755 -0.846 1.00 0.00 H new ATOM 1251 N ILE A 86 -12.159 -16.645 2.676 1.00 0.00 N ATOM 1252 CA ILE A 86 -13.074 -17.413 3.510 1.00 0.00 C ATOM 1253 C ILE A 86 -14.093 -16.505 4.189 1.00 0.00 C ATOM 1254 O ILE A 86 -14.080 -15.288 3.999 1.00 0.00 O ATOM 1255 CB ILE A 86 -12.317 -18.213 4.588 1.00 0.00 C ATOM 1256 CG1 ILE A 86 -11.372 -17.294 5.365 1.00 0.00 C ATOM 1257 CG2 ILE A 86 -11.547 -19.360 3.953 1.00 0.00 C ATOM 1258 CD1 ILE A 86 -10.989 -17.833 6.726 1.00 0.00 C ATOM 0 H ILE A 86 -11.240 -16.491 3.090 1.00 0.00 H new ATOM 0 HA ILE A 86 -13.593 -18.108 2.851 1.00 0.00 H new ATOM 0 HB ILE A 86 -13.042 -18.632 5.286 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -10.467 -17.136 4.778 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -11.846 -16.320 5.489 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -11.018 -19.915 4.727 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -12.242 -20.025 3.440 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -10.829 -18.963 3.236 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -10.318 -17.130 7.220 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -11.886 -17.964 7.331 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -10.487 -18.793 6.609 1.00 0.00 H new ATOM 1270 N ASP A 87 -14.974 -17.103 4.984 1.00 0.00 N ATOM 1271 CA ASP A 87 -15.999 -16.347 5.695 1.00 0.00 C ATOM 1272 C ASP A 87 -15.378 -15.488 6.792 1.00 0.00 C ATOM 1273 O ASP A 87 -15.407 -14.260 6.723 1.00 0.00 O ATOM 1274 CB ASP A 87 -17.036 -17.296 6.298 1.00 0.00 C ATOM 1275 CG ASP A 87 -16.445 -18.644 6.662 1.00 0.00 C ATOM 1276 OD1 ASP A 87 -15.218 -18.713 6.884 1.00 0.00 O ATOM 1277 OD2 ASP A 87 -17.209 -19.630 6.723 1.00 0.00 O ATOM 0 H ASP A 87 -14.999 -18.109 5.152 1.00 0.00 H new ATOM 0 HA ASP A 87 -16.493 -15.689 4.980 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -17.468 -16.839 7.189 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -17.850 -17.439 5.587 1.00 0.00 H new ATOM 1282 N SER A 88 -14.819 -16.143 7.804 1.00 0.00 N ATOM 1283 CA SER A 88 -14.195 -15.440 8.919 1.00 0.00 C ATOM 1284 C SER A 88 -12.932 -14.714 8.465 1.00 0.00 C ATOM 1285 O SER A 88 -12.292 -15.108 7.492 1.00 0.00 O ATOM 1286 CB SER A 88 -13.857 -16.421 10.043 1.00 0.00 C ATOM 1287 OG SER A 88 -12.885 -17.363 9.623 1.00 0.00 O ATOM 0 H SER A 88 -14.785 -17.160 7.875 1.00 0.00 H new ATOM 0 HA SER A 88 -14.904 -14.701 9.293 1.00 0.00 H new ATOM 0 HB2 SER A 88 -13.486 -15.873 10.909 1.00 0.00 H new ATOM 0 HB3 SER A 88 -14.761 -16.942 10.359 1.00 0.00 H new ATOM 0 HG SER A 88 -12.685 -17.977 10.360 1.00 0.00 H new ATOM 1293 N GLY A 89 -12.581 -13.648 9.179 1.00 0.00 N ATOM 1294 CA GLY A 89 -11.397 -12.883 8.835 1.00 0.00 C ATOM 1295 C GLY A 89 -10.129 -13.492 9.399 1.00 0.00 C ATOM 1296 O GLY A 89 -9.495 -14.346 8.777 1.00 0.00 O ATOM 0 H GLY A 89 -13.095 -13.301 9.989 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -11.313 -12.817 7.750 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -11.505 -11.865 9.209 1.00 0.00 H new ATOM 1300 N PRO A 90 -9.740 -13.050 10.604 1.00 0.00 N ATOM 1301 CA PRO A 90 -8.535 -13.543 11.277 1.00 0.00 C ATOM 1302 C PRO A 90 -8.683 -14.986 11.747 1.00 0.00 C ATOM 1303 O PRO A 90 -9.738 -15.383 12.242 1.00 0.00 O ATOM 1304 CB PRO A 90 -8.389 -12.603 12.477 1.00 0.00 C ATOM 1305 CG PRO A 90 -9.769 -12.110 12.742 1.00 0.00 C ATOM 1306 CD PRO A 90 -10.447 -12.034 11.402 1.00 0.00 C ATOM 0 HA PRO A 90 -7.670 -13.547 10.613 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -7.983 -13.126 13.343 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -7.710 -11.780 12.255 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -10.302 -12.785 13.411 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -9.748 -11.133 13.225 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -11.512 -12.252 11.478 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -10.355 -11.041 10.961 1.00 0.00 H new ATOM 1314 N SER A 91 -7.619 -15.767 11.588 1.00 0.00 N ATOM 1315 CA SER A 91 -7.632 -17.168 11.992 1.00 0.00 C ATOM 1316 C SER A 91 -6.219 -17.662 12.285 1.00 0.00 C ATOM 1317 O SER A 91 -5.237 -16.990 11.971 1.00 0.00 O ATOM 1318 CB SER A 91 -8.271 -18.030 10.902 1.00 0.00 C ATOM 1319 OG SER A 91 -7.635 -17.824 9.652 1.00 0.00 O ATOM 0 H SER A 91 -6.737 -15.453 11.182 1.00 0.00 H new ATOM 0 HA SER A 91 -8.224 -17.252 12.904 1.00 0.00 H new ATOM 0 HB2 SER A 91 -8.203 -19.082 11.179 1.00 0.00 H new ATOM 0 HB3 SER A 91 -9.331 -17.790 10.818 1.00 0.00 H new ATOM 0 HG SER A 91 -8.060 -18.387 8.972 1.00 0.00 H new ATOM 1325 N SER A 92 -6.124 -18.843 12.888 1.00 0.00 N ATOM 1326 CA SER A 92 -4.832 -19.427 13.227 1.00 0.00 C ATOM 1327 C SER A 92 -4.143 -19.980 11.983 1.00 0.00 C ATOM 1328 O SER A 92 -4.595 -20.961 11.394 1.00 0.00 O ATOM 1329 CB SER A 92 -5.007 -20.539 14.263 1.00 0.00 C ATOM 1330 OG SER A 92 -3.816 -21.292 14.409 1.00 0.00 O ATOM 0 H SER A 92 -6.927 -19.414 13.152 1.00 0.00 H new ATOM 0 HA SER A 92 -4.206 -18.641 13.650 1.00 0.00 H new ATOM 0 HB2 SER A 92 -5.287 -20.105 15.223 1.00 0.00 H new ATOM 0 HB3 SER A 92 -5.822 -21.197 13.961 1.00 0.00 H new ATOM 0 HG SER A 92 -3.953 -21.995 15.078 1.00 0.00 H new ATOM 1336 N GLY A 93 -3.045 -19.342 11.589 1.00 0.00 N ATOM 1337 CA GLY A 93 -2.310 -19.784 10.418 1.00 0.00 C ATOM 1338 C GLY A 93 -2.297 -18.743 9.316 1.00 0.00 C ATOM 1339 O GLY A 93 -3.157 -18.790 8.437 1.00 0.00 O ATOM 0 H GLY A 93 -2.651 -18.527 12.060 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.285 -20.019 10.704 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -2.755 -20.704 10.039 1.00 0.00 H new TER 1343 GLY A 93 HETATM 1344 ZN ZN A 201 0.607 5.744 7.522 1.00 0.00 ZN HETATM 1345 ZN ZN A 401 -10.860 -0.383 4.212 1.00 0.00 ZN