USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 569 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 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 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0.00483 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.149 K(o=-0.15,f=-0.9) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 107:sc= 1.15 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 42 ASN : amide:sc= -0.654 K(o=-0.65,f=-2.9!) USER MOD Single : A 43 ASN : amide:sc= -8.86! C(o=-8.9!,f=-8.1!) USER MOD Single : A 46 ASN : amide:sc= -1.74 K(o=-1.7,f=-9.6!) USER MOD Single : A 47 GLN : amide:sc= -0.376 K(o=-0.38,f=-3.1!) USER MOD Single : A 50 SER OG : rot -86:sc= 0.0376 USER MOD Single : A 53 TYR OH : rot 60:sc= -1.11 USER MOD Single : A 56 ASN : amide:sc=-0.00314 X(o=-0.0031,f=-0.0064) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot -71:sc= 1.3 USER MOD Single : A 63 TYR OH : rot 180:sc= -0.0451 USER MOD Single : A 65 GLN : amide:sc= -0.12 K(o=-0.12,f=-2!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.583 10.012 11.264 1.00 0.00 N ATOM 2 CA GLY A 1 1.926 11.109 10.375 1.00 0.00 C ATOM 3 C GLY A 1 3.444 11.250 10.239 1.00 0.00 C ATOM 4 O GLY A 1 4.038 12.169 10.802 1.00 0.00 O ATOM 0 H1 GLY A 1 0.548 9.937 11.340 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.968 9.124 10.884 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.987 10.189 12.206 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.484 10.938 9.394 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.504 12.038 10.758 1.00 0.00 H new ATOM 8 N SER A 2 4.027 10.327 9.490 1.00 0.00 N ATOM 9 CA SER A 2 5.464 10.337 9.273 1.00 0.00 C ATOM 10 C SER A 2 5.814 9.497 8.043 1.00 0.00 C ATOM 11 O SER A 2 4.999 8.702 7.578 1.00 0.00 O ATOM 12 CB SER A 2 6.210 9.815 10.502 1.00 0.00 C ATOM 13 OG SER A 2 6.206 8.392 10.564 1.00 0.00 O ATOM 0 H SER A 2 3.531 9.567 9.025 1.00 0.00 H new ATOM 0 HA SER A 2 5.777 11.367 9.102 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.239 10.174 10.481 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.750 10.219 11.404 1.00 0.00 H new ATOM 0 HG SER A 2 6.693 8.098 11.362 1.00 0.00 H new ATOM 19 N SER A 3 7.027 9.702 7.551 1.00 0.00 N ATOM 20 CA SER A 3 7.495 8.974 6.385 1.00 0.00 C ATOM 21 C SER A 3 8.824 8.283 6.697 1.00 0.00 C ATOM 22 O SER A 3 9.461 8.583 7.705 1.00 0.00 O ATOM 23 CB SER A 3 7.650 9.904 5.180 1.00 0.00 C ATOM 24 OG SER A 3 6.495 9.895 4.346 1.00 0.00 O ATOM 0 H SER A 3 7.700 10.363 7.939 1.00 0.00 H new ATOM 0 HA SER A 3 6.751 8.218 6.133 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.838 10.920 5.528 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.520 9.601 4.598 1.00 0.00 H new ATOM 0 HG SER A 3 6.633 10.502 3.589 1.00 0.00 H new ATOM 30 N GLY A 4 9.202 7.370 5.814 1.00 0.00 N ATOM 31 CA GLY A 4 10.443 6.635 5.983 1.00 0.00 C ATOM 32 C GLY A 4 10.477 5.401 5.078 1.00 0.00 C ATOM 33 O GLY A 4 9.800 5.361 4.052 1.00 0.00 O ATOM 0 H GLY A 4 8.670 7.123 4.979 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.288 7.283 5.752 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.550 6.330 7.024 1.00 0.00 H new ATOM 37 N SER A 5 11.272 4.425 5.492 1.00 0.00 N ATOM 38 CA SER A 5 11.402 3.194 4.731 1.00 0.00 C ATOM 39 C SER A 5 12.090 3.475 3.394 1.00 0.00 C ATOM 40 O SER A 5 11.943 4.559 2.832 1.00 0.00 O ATOM 41 CB SER A 5 10.038 2.542 4.500 1.00 0.00 C ATOM 42 OG SER A 5 10.010 1.189 4.948 1.00 0.00 O ATOM 0 H SER A 5 11.832 4.462 6.344 1.00 0.00 H new ATOM 0 HA SER A 5 12.013 2.499 5.307 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.270 3.113 5.022 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.794 2.577 3.438 1.00 0.00 H new ATOM 0 HG SER A 5 9.122 0.809 4.785 1.00 0.00 H new ATOM 48 N SER A 6 12.825 2.479 2.922 1.00 0.00 N ATOM 49 CA SER A 6 13.536 2.605 1.661 1.00 0.00 C ATOM 50 C SER A 6 13.950 1.223 1.153 1.00 0.00 C ATOM 51 O SER A 6 15.009 0.715 1.519 1.00 0.00 O ATOM 52 CB SER A 6 14.763 3.507 1.808 1.00 0.00 C ATOM 53 OG SER A 6 15.117 4.132 0.578 1.00 0.00 O ATOM 0 H SER A 6 12.944 1.581 3.390 1.00 0.00 H new ATOM 0 HA SER A 6 12.866 3.065 0.935 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.563 4.272 2.559 1.00 0.00 H new ATOM 0 HB3 SER A 6 15.605 2.917 2.170 1.00 0.00 H new ATOM 0 HG SER A 6 15.904 4.700 0.714 1.00 0.00 H new ATOM 59 N GLY A 7 13.094 0.654 0.317 1.00 0.00 N ATOM 60 CA GLY A 7 13.358 -0.660 -0.246 1.00 0.00 C ATOM 61 C GLY A 7 13.970 -1.592 0.802 1.00 0.00 C ATOM 62 O GLY A 7 13.382 -1.813 1.860 1.00 0.00 O ATOM 0 H GLY A 7 12.217 1.079 0.016 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.431 -1.091 -0.624 1.00 0.00 H new ATOM 0 HA3 GLY A 7 14.035 -0.567 -1.095 1.00 0.00 H new ATOM 66 N LYS A 8 15.142 -2.114 0.472 1.00 0.00 N ATOM 67 CA LYS A 8 15.839 -3.017 1.371 1.00 0.00 C ATOM 68 C LYS A 8 15.108 -4.360 1.406 1.00 0.00 C ATOM 69 O LYS A 8 15.666 -5.385 1.016 1.00 0.00 O ATOM 70 CB LYS A 8 16.011 -2.374 2.749 1.00 0.00 C ATOM 71 CG LYS A 8 17.358 -2.753 3.367 1.00 0.00 C ATOM 72 CD LYS A 8 17.172 -3.717 4.540 1.00 0.00 C ATOM 73 CE LYS A 8 18.520 -4.101 5.153 1.00 0.00 C ATOM 74 NZ LYS A 8 18.938 -5.442 4.687 1.00 0.00 N ATOM 0 H LYS A 8 15.627 -1.929 -0.406 1.00 0.00 H new ATOM 0 HA LYS A 8 16.848 -3.212 1.008 1.00 0.00 H new ATOM 0 HB2 LYS A 8 15.940 -1.290 2.660 1.00 0.00 H new ATOM 0 HB3 LYS A 8 15.202 -2.693 3.407 1.00 0.00 H new ATOM 0 HG2 LYS A 8 17.992 -3.214 2.610 1.00 0.00 H new ATOM 0 HG3 LYS A 8 17.871 -1.854 3.708 1.00 0.00 H new ATOM 0 HD2 LYS A 8 16.542 -3.254 5.299 1.00 0.00 H new ATOM 0 HD3 LYS A 8 16.654 -4.614 4.200 1.00 0.00 H new ATOM 0 HE2 LYS A 8 19.274 -3.363 4.879 1.00 0.00 H new ATOM 0 HE3 LYS A 8 18.447 -4.094 6.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 19.855 -5.687 5.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 18.226 -6.145 4.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 19.027 -5.437 3.651 1.00 0.00 H new ATOM 88 N VAL A 9 13.870 -4.312 1.877 1.00 0.00 N ATOM 89 CA VAL A 9 13.057 -5.513 1.967 1.00 0.00 C ATOM 90 C VAL A 9 12.919 -6.136 0.577 1.00 0.00 C ATOM 91 O VAL A 9 13.197 -5.486 -0.429 1.00 0.00 O ATOM 92 CB VAL A 9 11.709 -5.184 2.612 1.00 0.00 C ATOM 93 CG1 VAL A 9 11.898 -4.636 4.028 1.00 0.00 C ATOM 94 CG2 VAL A 9 10.912 -4.206 1.747 1.00 0.00 C ATOM 0 H VAL A 9 13.411 -3.461 2.200 1.00 0.00 H new ATOM 0 HA VAL A 9 13.537 -6.253 2.608 1.00 0.00 H new ATOM 0 HB VAL A 9 11.137 -6.109 2.685 1.00 0.00 H new ATOM 0 HG11 VAL A 9 10.925 -4.410 4.464 1.00 0.00 H new ATOM 0 HG12 VAL A 9 12.406 -5.380 4.641 1.00 0.00 H new ATOM 0 HG13 VAL A 9 12.498 -3.727 3.989 1.00 0.00 H new ATOM 0 HG21 VAL A 9 9.958 -3.989 2.228 1.00 0.00 H new ATOM 0 HG22 VAL A 9 11.477 -3.282 1.628 1.00 0.00 H new ATOM 0 HG23 VAL A 9 10.732 -4.650 0.768 1.00 0.00 H new ATOM 104 N SER A 10 12.488 -7.389 0.565 1.00 0.00 N ATOM 105 CA SER A 10 12.310 -8.107 -0.685 1.00 0.00 C ATOM 106 C SER A 10 10.828 -8.134 -1.066 1.00 0.00 C ATOM 107 O SER A 10 9.966 -7.828 -0.243 1.00 0.00 O ATOM 108 CB SER A 10 12.858 -9.532 -0.585 1.00 0.00 C ATOM 109 OG SER A 10 13.353 -9.823 0.719 1.00 0.00 O ATOM 0 H SER A 10 12.257 -7.925 1.401 1.00 0.00 H new ATOM 0 HA SER A 10 12.869 -7.585 -1.462 1.00 0.00 H new ATOM 0 HB2 SER A 10 12.071 -10.242 -0.841 1.00 0.00 H new ATOM 0 HB3 SER A 10 13.657 -9.665 -1.314 1.00 0.00 H new ATOM 0 HG SER A 10 13.692 -10.742 0.743 1.00 0.00 H new ATOM 115 N PRO A 11 10.570 -8.513 -2.347 1.00 0.00 N ATOM 116 CA PRO A 11 9.208 -8.583 -2.847 1.00 0.00 C ATOM 117 C PRO A 11 8.487 -9.817 -2.300 1.00 0.00 C ATOM 118 O PRO A 11 9.118 -10.715 -1.745 1.00 0.00 O ATOM 119 CB PRO A 11 9.345 -8.597 -4.360 1.00 0.00 C ATOM 120 CG PRO A 11 10.782 -9.002 -4.645 1.00 0.00 C ATOM 121 CD PRO A 11 11.566 -8.882 -3.349 1.00 0.00 C ATOM 0 HA PRO A 11 8.597 -7.740 -2.524 1.00 0.00 H new ATOM 0 HB2 PRO A 11 8.644 -9.301 -4.809 1.00 0.00 H new ATOM 0 HB3 PRO A 11 9.125 -7.616 -4.781 1.00 0.00 H new ATOM 0 HG2 PRO A 11 10.823 -10.024 -5.023 1.00 0.00 H new ATOM 0 HG3 PRO A 11 11.214 -8.361 -5.413 1.00 0.00 H new ATOM 0 HD2 PRO A 11 12.055 -9.822 -3.094 1.00 0.00 H new ATOM 0 HD3 PRO A 11 12.348 -8.127 -3.427 1.00 0.00 H new ATOM 129 N PRO A 12 7.139 -9.823 -2.482 1.00 0.00 N ATOM 130 CA PRO A 12 6.325 -10.931 -2.013 1.00 0.00 C ATOM 131 C PRO A 12 6.487 -12.152 -2.921 1.00 0.00 C ATOM 132 O PRO A 12 7.245 -12.114 -3.889 1.00 0.00 O ATOM 133 CB PRO A 12 4.904 -10.393 -1.989 1.00 0.00 C ATOM 134 CG PRO A 12 4.909 -9.162 -2.880 1.00 0.00 C ATOM 135 CD PRO A 12 6.357 -8.777 -3.135 1.00 0.00 C ATOM 0 HA PRO A 12 6.620 -11.281 -1.024 1.00 0.00 H new ATOM 0 HB2 PRO A 12 4.198 -11.138 -2.356 1.00 0.00 H new ATOM 0 HB3 PRO A 12 4.600 -10.139 -0.974 1.00 0.00 H new ATOM 0 HG2 PRO A 12 4.398 -9.369 -3.820 1.00 0.00 H new ATOM 0 HG3 PRO A 12 4.375 -8.342 -2.401 1.00 0.00 H new ATOM 0 HD2 PRO A 12 6.572 -8.730 -4.203 1.00 0.00 H new ATOM 0 HD3 PRO A 12 6.585 -7.795 -2.720 1.00 0.00 H new ATOM 143 N GLU A 13 5.762 -13.206 -2.577 1.00 0.00 N ATOM 144 CA GLU A 13 5.816 -14.436 -3.349 1.00 0.00 C ATOM 145 C GLU A 13 4.616 -14.522 -4.294 1.00 0.00 C ATOM 146 O GLU A 13 4.762 -14.900 -5.455 1.00 0.00 O ATOM 147 CB GLU A 13 5.878 -15.658 -2.430 1.00 0.00 C ATOM 148 CG GLU A 13 7.256 -16.320 -2.492 1.00 0.00 C ATOM 149 CD GLU A 13 7.319 -17.542 -1.574 1.00 0.00 C ATOM 150 OE1 GLU A 13 7.166 -17.340 -0.350 1.00 0.00 O ATOM 151 OE2 GLU A 13 7.519 -18.651 -2.116 1.00 0.00 O ATOM 0 H GLU A 13 5.134 -13.234 -1.774 1.00 0.00 H new ATOM 0 HA GLU A 13 6.726 -14.426 -3.948 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.660 -15.358 -1.405 1.00 0.00 H new ATOM 0 HB3 GLU A 13 5.112 -16.376 -2.722 1.00 0.00 H new ATOM 0 HG2 GLU A 13 7.474 -16.619 -3.517 1.00 0.00 H new ATOM 0 HG3 GLU A 13 8.022 -15.602 -2.200 1.00 0.00 H new ATOM 158 N ASP A 14 3.456 -14.165 -3.761 1.00 0.00 N ATOM 159 CA ASP A 14 2.232 -14.198 -4.543 1.00 0.00 C ATOM 160 C ASP A 14 2.282 -13.099 -5.606 1.00 0.00 C ATOM 161 O ASP A 14 2.243 -11.913 -5.281 1.00 0.00 O ATOM 162 CB ASP A 14 1.008 -13.945 -3.660 1.00 0.00 C ATOM 163 CG ASP A 14 0.222 -15.199 -3.270 1.00 0.00 C ATOM 164 OD1 ASP A 14 0.636 -16.290 -3.718 1.00 0.00 O ATOM 165 OD2 ASP A 14 -0.775 -15.038 -2.533 1.00 0.00 O ATOM 0 H ASP A 14 3.338 -13.852 -2.797 1.00 0.00 H new ATOM 0 HA ASP A 14 2.150 -15.184 -5.000 1.00 0.00 H new ATOM 0 HB2 ASP A 14 1.333 -13.441 -2.750 1.00 0.00 H new ATOM 0 HB3 ASP A 14 0.338 -13.262 -4.181 1.00 0.00 H new ATOM 170 N GLU A 15 2.367 -13.532 -6.855 1.00 0.00 N ATOM 171 CA GLU A 15 2.423 -12.601 -7.969 1.00 0.00 C ATOM 172 C GLU A 15 1.197 -11.686 -7.957 1.00 0.00 C ATOM 173 O GLU A 15 1.330 -10.463 -7.939 1.00 0.00 O ATOM 174 CB GLU A 15 2.539 -13.344 -9.301 1.00 0.00 C ATOM 175 CG GLU A 15 2.790 -12.369 -10.453 1.00 0.00 C ATOM 176 CD GLU A 15 2.882 -13.110 -11.788 1.00 0.00 C ATOM 177 OE1 GLU A 15 3.795 -13.956 -11.906 1.00 0.00 O ATOM 178 OE2 GLU A 15 2.037 -12.814 -12.661 1.00 0.00 O ATOM 0 H GLU A 15 2.398 -14.516 -7.120 1.00 0.00 H new ATOM 0 HA GLU A 15 3.315 -11.984 -7.857 1.00 0.00 H new ATOM 0 HB2 GLU A 15 3.353 -14.067 -9.248 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.624 -13.906 -9.489 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.985 -11.635 -10.495 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.714 -11.819 -10.274 1.00 0.00 H new ATOM 185 N GLU A 16 0.030 -12.313 -7.968 1.00 0.00 N ATOM 186 CA GLU A 16 -1.219 -11.570 -7.959 1.00 0.00 C ATOM 187 C GLU A 16 -1.142 -10.414 -6.961 1.00 0.00 C ATOM 188 O GLU A 16 -1.802 -9.391 -7.137 1.00 0.00 O ATOM 189 CB GLU A 16 -2.401 -12.489 -7.643 1.00 0.00 C ATOM 190 CG GLU A 16 -3.094 -12.952 -8.926 1.00 0.00 C ATOM 191 CD GLU A 16 -4.588 -12.622 -8.891 1.00 0.00 C ATOM 192 OE1 GLU A 16 -5.217 -12.945 -7.860 1.00 0.00 O ATOM 193 OE2 GLU A 16 -5.067 -12.055 -9.897 1.00 0.00 O ATOM 0 H GLU A 16 -0.077 -13.327 -7.983 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.379 -11.155 -8.954 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.052 -13.355 -7.081 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.115 -11.964 -7.009 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.632 -12.471 -9.788 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.958 -14.026 -9.050 1.00 0.00 H new ATOM 200 N ALA A 17 -0.329 -10.614 -5.933 1.00 0.00 N ATOM 201 CA ALA A 17 -0.157 -9.600 -4.907 1.00 0.00 C ATOM 202 C ALA A 17 0.737 -8.482 -5.446 1.00 0.00 C ATOM 203 O ALA A 17 0.333 -7.320 -5.477 1.00 0.00 O ATOM 204 CB ALA A 17 0.415 -10.246 -3.643 1.00 0.00 C ATOM 0 H ALA A 17 0.217 -11.463 -5.789 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.116 -9.156 -4.641 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.544 -9.486 -2.873 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.271 -11.013 -3.284 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.380 -10.700 -3.871 1.00 0.00 H new ATOM 210 N LYS A 18 1.935 -8.871 -5.857 1.00 0.00 N ATOM 211 CA LYS A 18 2.889 -7.915 -6.393 1.00 0.00 C ATOM 212 C LYS A 18 2.153 -6.907 -7.277 1.00 0.00 C ATOM 213 O LYS A 18 2.548 -5.746 -7.363 1.00 0.00 O ATOM 214 CB LYS A 18 4.031 -8.641 -7.107 1.00 0.00 C ATOM 215 CG LYS A 18 5.390 -8.094 -6.666 1.00 0.00 C ATOM 216 CD LYS A 18 6.515 -9.069 -7.018 1.00 0.00 C ATOM 217 CE LYS A 18 7.338 -8.552 -8.200 1.00 0.00 C ATOM 218 NZ LYS A 18 7.645 -9.654 -9.139 1.00 0.00 N ATOM 0 H LYS A 18 2.267 -9.835 -5.830 1.00 0.00 H new ATOM 0 HA LYS A 18 3.356 -7.350 -5.586 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.978 -9.708 -6.893 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.922 -8.526 -8.185 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.573 -7.133 -7.148 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.382 -7.915 -5.591 1.00 0.00 H new ATOM 0 HD2 LYS A 18 7.163 -9.210 -6.153 1.00 0.00 H new ATOM 0 HD3 LYS A 18 6.093 -10.044 -7.263 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.787 -7.767 -8.719 1.00 0.00 H new ATOM 0 HE3 LYS A 18 8.264 -8.106 -7.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.204 -9.286 -9.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 8.189 -10.390 -8.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.758 -10.062 -9.498 1.00 0.00 H new ATOM 232 N ASN A 19 1.095 -7.389 -7.914 1.00 0.00 N ATOM 233 CA ASN A 19 0.300 -6.544 -8.789 1.00 0.00 C ATOM 234 C ASN A 19 -0.734 -5.785 -7.956 1.00 0.00 C ATOM 235 O ASN A 19 -0.835 -4.562 -8.049 1.00 0.00 O ATOM 236 CB ASN A 19 -0.451 -7.380 -9.827 1.00 0.00 C ATOM 237 CG ASN A 19 -0.213 -6.843 -11.240 1.00 0.00 C ATOM 238 OD1 ASN A 19 0.056 -5.671 -11.449 1.00 0.00 O ATOM 239 ND2 ASN A 19 -0.327 -7.762 -12.194 1.00 0.00 N ATOM 0 H ASN A 19 0.770 -8.353 -7.841 1.00 0.00 H new ATOM 0 HA ASN A 19 0.975 -5.856 -9.299 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.124 -8.418 -9.769 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -1.518 -7.369 -9.605 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -0.187 -7.503 -13.171 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -0.554 -8.726 -11.949 1.00 0.00 H new ATOM 246 N LEU A 20 -1.477 -6.540 -7.160 1.00 0.00 N ATOM 247 CA LEU A 20 -2.499 -5.953 -6.311 1.00 0.00 C ATOM 248 C LEU A 20 -1.876 -4.843 -5.461 1.00 0.00 C ATOM 249 O LEU A 20 -2.379 -3.721 -5.435 1.00 0.00 O ATOM 250 CB LEU A 20 -3.200 -7.037 -5.489 1.00 0.00 C ATOM 251 CG LEU A 20 -4.354 -7.764 -6.182 1.00 0.00 C ATOM 252 CD1 LEU A 20 -5.109 -8.658 -5.197 1.00 0.00 C ATOM 253 CD2 LEU A 20 -5.284 -6.772 -6.884 1.00 0.00 C ATOM 0 H LEU A 20 -1.391 -7.554 -7.085 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.278 -5.491 -6.917 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.457 -7.777 -5.192 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.580 -6.582 -4.574 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.936 -8.413 -6.951 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.924 -9.163 -5.715 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.427 -9.401 -4.783 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.515 -8.048 -4.390 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.096 -7.315 -7.369 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -5.697 -6.079 -6.151 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.722 -6.214 -7.633 1.00 0.00 H new ATOM 265 N ALA A 21 -0.791 -5.196 -4.788 1.00 0.00 N ATOM 266 CA ALA A 21 -0.094 -4.244 -3.940 1.00 0.00 C ATOM 267 C ALA A 21 0.149 -2.953 -4.724 1.00 0.00 C ATOM 268 O ALA A 21 -0.395 -1.903 -4.383 1.00 0.00 O ATOM 269 CB ALA A 21 1.206 -4.870 -3.431 1.00 0.00 C ATOM 0 H ALA A 21 -0.377 -6.128 -4.813 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.698 -3.992 -3.068 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.729 -4.156 -2.795 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.977 -5.768 -2.857 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.839 -5.133 -4.278 1.00 0.00 H new ATOM 275 N GLU A 22 0.967 -3.071 -5.760 1.00 0.00 N ATOM 276 CA GLU A 22 1.289 -1.926 -6.594 1.00 0.00 C ATOM 277 C GLU A 22 0.011 -1.186 -6.994 1.00 0.00 C ATOM 278 O GLU A 22 -0.177 -0.025 -6.632 1.00 0.00 O ATOM 279 CB GLU A 22 2.084 -2.354 -7.829 1.00 0.00 C ATOM 280 CG GLU A 22 3.300 -1.450 -8.039 1.00 0.00 C ATOM 281 CD GLU A 22 3.433 -1.043 -9.508 1.00 0.00 C ATOM 282 OE1 GLU A 22 2.865 -1.769 -10.352 1.00 0.00 O ATOM 283 OE2 GLU A 22 4.100 -0.014 -9.753 1.00 0.00 O ATOM 0 H GLU A 22 1.416 -3.943 -6.041 1.00 0.00 H new ATOM 0 HA GLU A 22 1.915 -1.245 -6.018 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.410 -3.388 -7.715 1.00 0.00 H new ATOM 0 HB3 GLU A 22 1.443 -2.317 -8.710 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.207 -0.559 -7.418 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.203 -1.969 -7.718 1.00 0.00 H new ATOM 290 N LYS A 23 -0.834 -1.887 -7.736 1.00 0.00 N ATOM 291 CA LYS A 23 -2.088 -1.310 -8.190 1.00 0.00 C ATOM 292 C LYS A 23 -2.700 -0.479 -7.060 1.00 0.00 C ATOM 293 O LYS A 23 -2.908 0.724 -7.212 1.00 0.00 O ATOM 294 CB LYS A 23 -3.018 -2.401 -8.724 1.00 0.00 C ATOM 295 CG LYS A 23 -3.064 -2.383 -10.253 1.00 0.00 C ATOM 296 CD LYS A 23 -3.335 -3.782 -10.810 1.00 0.00 C ATOM 297 CE LYS A 23 -4.821 -3.968 -11.123 1.00 0.00 C ATOM 298 NZ LYS A 23 -5.066 -5.313 -11.691 1.00 0.00 N ATOM 0 H LYS A 23 -0.675 -2.849 -8.034 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.915 -0.633 -9.027 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.676 -3.377 -8.378 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.022 -2.256 -8.325 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.842 -1.697 -10.589 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.118 -2.009 -10.644 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -2.747 -3.938 -11.714 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -3.015 -4.533 -10.088 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.409 -3.838 -10.215 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.149 -3.204 -11.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -6.079 -5.423 -11.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -4.519 -5.424 -12.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.772 -6.038 -11.006 1.00 0.00 H new ATOM 312 N LEU A 24 -2.972 -1.154 -5.952 1.00 0.00 N ATOM 313 CA LEU A 24 -3.556 -0.493 -4.798 1.00 0.00 C ATOM 314 C LEU A 24 -2.906 0.880 -4.619 1.00 0.00 C ATOM 315 O LEU A 24 -3.562 1.907 -4.788 1.00 0.00 O ATOM 316 CB LEU A 24 -3.454 -1.387 -3.560 1.00 0.00 C ATOM 317 CG LEU A 24 -4.705 -1.464 -2.683 1.00 0.00 C ATOM 318 CD1 LEU A 24 -4.960 -0.132 -1.975 1.00 0.00 C ATOM 319 CD2 LEU A 24 -5.918 -1.922 -3.496 1.00 0.00 C ATOM 0 H LEU A 24 -2.799 -2.152 -5.830 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.621 -0.324 -4.955 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.200 -2.396 -3.885 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.626 -1.031 -2.947 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.535 -2.213 -1.910 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.855 -0.213 -1.358 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.106 0.114 -1.344 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.101 0.653 -2.717 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.794 -1.968 -2.848 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.102 -1.215 -4.305 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.724 -2.910 -3.914 1.00 0.00 H new ATOM 331 N ALA A 25 -1.626 0.855 -4.279 1.00 0.00 N ATOM 332 CA ALA A 25 -0.881 2.085 -4.076 1.00 0.00 C ATOM 333 C ALA A 25 -1.038 2.981 -5.306 1.00 0.00 C ATOM 334 O ALA A 25 -1.387 4.154 -5.184 1.00 0.00 O ATOM 335 CB ALA A 25 0.583 1.753 -3.780 1.00 0.00 C ATOM 0 H ALA A 25 -1.086 0.001 -4.139 1.00 0.00 H new ATOM 0 HA ALA A 25 -1.271 2.632 -3.218 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.142 2.676 -3.628 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.642 1.140 -2.880 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.009 1.205 -4.621 1.00 0.00 H new ATOM 341 N ARG A 26 -0.773 2.394 -6.464 1.00 0.00 N ATOM 342 CA ARG A 26 -0.881 3.124 -7.715 1.00 0.00 C ATOM 343 C ARG A 26 -2.187 3.920 -7.755 1.00 0.00 C ATOM 344 O ARG A 26 -2.214 5.052 -8.233 1.00 0.00 O ATOM 345 CB ARG A 26 -0.834 2.174 -8.913 1.00 0.00 C ATOM 346 CG ARG A 26 0.290 2.561 -9.877 1.00 0.00 C ATOM 347 CD ARG A 26 1.191 1.362 -10.179 1.00 0.00 C ATOM 348 NE ARG A 26 0.470 0.389 -11.031 1.00 0.00 N ATOM 349 CZ ARG A 26 0.226 0.569 -12.336 1.00 0.00 C ATOM 350 NH1 ARG A 26 0.644 1.686 -12.948 1.00 0.00 N ATOM 351 NH2 ARG A 26 -0.435 -0.367 -13.030 1.00 0.00 N ATOM 0 H ARG A 26 -0.484 1.421 -6.562 1.00 0.00 H new ATOM 0 HA ARG A 26 -0.034 3.807 -7.774 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -0.684 1.152 -8.565 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -1.790 2.195 -9.436 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -0.137 2.942 -10.805 1.00 0.00 H new ATOM 0 HG3 ARG A 26 0.883 3.367 -9.445 1.00 0.00 H new ATOM 0 HD2 ARG A 26 2.098 1.696 -10.682 1.00 0.00 H new ATOM 0 HD3 ARG A 26 1.499 0.885 -9.249 1.00 0.00 H new ATOM 0 HE ARG A 26 0.138 -0.472 -10.597 1.00 0.00 H new ATOM 0 HH11 ARG A 26 1.148 2.399 -12.420 1.00 0.00 H new ATOM 0 HH12 ARG A 26 0.458 1.823 -13.942 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -0.753 -1.217 -12.565 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -0.620 -0.229 -14.024 1.00 0.00 H new ATOM 365 N PHE A 27 -3.239 3.295 -7.246 1.00 0.00 N ATOM 366 CA PHE A 27 -4.545 3.930 -7.217 1.00 0.00 C ATOM 367 C PHE A 27 -4.666 4.882 -6.025 1.00 0.00 C ATOM 368 O PHE A 27 -4.915 6.074 -6.200 1.00 0.00 O ATOM 369 CB PHE A 27 -5.582 2.815 -7.071 1.00 0.00 C ATOM 370 CG PHE A 27 -6.915 3.278 -6.480 1.00 0.00 C ATOM 371 CD1 PHE A 27 -7.613 4.280 -7.078 1.00 0.00 C ATOM 372 CD2 PHE A 27 -7.402 2.687 -5.356 1.00 0.00 C ATOM 373 CE1 PHE A 27 -8.850 4.710 -6.530 1.00 0.00 C ATOM 374 CE2 PHE A 27 -8.639 3.117 -4.807 1.00 0.00 C ATOM 375 CZ PHE A 27 -9.337 4.119 -5.406 1.00 0.00 C ATOM 0 H PHE A 27 -3.213 2.355 -6.850 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.696 4.510 -8.128 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -5.765 2.372 -8.050 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -5.169 2.029 -6.438 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -7.226 4.749 -7.971 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -6.848 1.891 -4.881 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -9.404 5.506 -7.005 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -9.026 2.648 -3.914 1.00 0.00 H new ATOM 0 HZ PHE A 27 -10.278 4.445 -4.989 1.00 0.00 H new ATOM 385 N ILE A 28 -4.484 4.319 -4.839 1.00 0.00 N ATOM 386 CA ILE A 28 -4.569 5.103 -3.618 1.00 0.00 C ATOM 387 C ILE A 28 -3.656 6.325 -3.737 1.00 0.00 C ATOM 388 O ILE A 28 -3.851 7.320 -3.040 1.00 0.00 O ATOM 389 CB ILE A 28 -4.271 4.228 -2.399 1.00 0.00 C ATOM 390 CG1 ILE A 28 -5.498 3.404 -2.003 1.00 0.00 C ATOM 391 CG2 ILE A 28 -3.747 5.072 -1.235 1.00 0.00 C ATOM 392 CD1 ILE A 28 -5.172 2.458 -0.845 1.00 0.00 C ATOM 0 H ILE A 28 -4.278 3.330 -4.698 1.00 0.00 H new ATOM 0 HA ILE A 28 -5.583 5.476 -3.474 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.483 3.524 -2.667 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -6.311 4.071 -1.715 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -5.846 2.828 -2.861 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -3.543 4.427 -0.381 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -2.829 5.577 -1.536 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.495 5.814 -0.958 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -6.061 1.884 -0.583 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -4.375 1.777 -1.145 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -4.847 3.038 0.019 1.00 0.00 H new ATOM 404 N ALA A 29 -2.679 6.210 -4.624 1.00 0.00 N ATOM 405 CA ALA A 29 -1.735 7.293 -4.842 1.00 0.00 C ATOM 406 C ALA A 29 -2.382 8.355 -5.733 1.00 0.00 C ATOM 407 O ALA A 29 -2.086 9.542 -5.604 1.00 0.00 O ATOM 408 CB ALA A 29 -0.445 6.732 -5.445 1.00 0.00 C ATOM 0 H ALA A 29 -2.520 5.383 -5.200 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.473 7.770 -3.898 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.263 7.544 -5.609 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -0.010 6.004 -4.761 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -0.668 6.248 -6.396 1.00 0.00 H new ATOM 414 N ASP A 30 -3.252 7.890 -6.618 1.00 0.00 N ATOM 415 CA ASP A 30 -3.943 8.785 -7.530 1.00 0.00 C ATOM 416 C ASP A 30 -4.989 9.588 -6.754 1.00 0.00 C ATOM 417 O ASP A 30 -5.524 10.572 -7.263 1.00 0.00 O ATOM 418 CB ASP A 30 -4.666 8.003 -8.628 1.00 0.00 C ATOM 419 CG ASP A 30 -4.206 8.314 -10.053 1.00 0.00 C ATOM 420 OD1 ASP A 30 -2.988 8.176 -10.300 1.00 0.00 O ATOM 421 OD2 ASP A 30 -5.082 8.683 -10.865 1.00 0.00 O ATOM 0 H ASP A 30 -3.494 6.905 -6.723 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.201 9.442 -7.985 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.531 6.937 -8.443 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.734 8.206 -8.555 1.00 0.00 H new ATOM 426 N GLY A 31 -5.250 9.139 -5.536 1.00 0.00 N ATOM 427 CA GLY A 31 -6.223 9.803 -4.685 1.00 0.00 C ATOM 428 C GLY A 31 -5.529 10.647 -3.614 1.00 0.00 C ATOM 429 O GLY A 31 -4.774 11.564 -3.934 1.00 0.00 O ATOM 0 H GLY A 31 -4.804 8.323 -5.117 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.869 10.438 -5.292 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.863 9.060 -4.209 1.00 0.00 H new ATOM 433 N GLY A 32 -5.810 10.307 -2.364 1.00 0.00 N ATOM 434 CA GLY A 32 -5.222 11.022 -1.244 1.00 0.00 C ATOM 435 C GLY A 32 -5.660 10.409 0.088 1.00 0.00 C ATOM 436 O GLY A 32 -5.718 9.188 0.224 1.00 0.00 O ATOM 0 H GLY A 32 -6.437 9.546 -2.103 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.135 10.995 -1.321 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -5.518 12.070 -1.281 1.00 0.00 H new ATOM 440 N PRO A 33 -5.965 11.309 1.061 1.00 0.00 N ATOM 441 CA PRO A 33 -6.396 10.869 2.377 1.00 0.00 C ATOM 442 C PRO A 33 -7.841 10.366 2.341 1.00 0.00 C ATOM 443 O PRO A 33 -8.373 9.923 3.358 1.00 0.00 O ATOM 444 CB PRO A 33 -6.212 12.081 3.276 1.00 0.00 C ATOM 445 CG PRO A 33 -6.128 13.281 2.347 1.00 0.00 C ATOM 446 CD PRO A 33 -5.908 12.762 0.935 1.00 0.00 C ATOM 0 HA PRO A 33 -5.818 10.022 2.748 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -7.046 12.182 3.970 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -5.307 11.988 3.876 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -7.044 13.869 2.399 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -5.310 13.938 2.644 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -6.675 13.131 0.254 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -4.946 13.088 0.539 1.00 0.00 H new ATOM 454 N GLU A 34 -8.434 10.450 1.160 1.00 0.00 N ATOM 455 CA GLU A 34 -9.806 10.008 0.978 1.00 0.00 C ATOM 456 C GLU A 34 -9.836 8.568 0.461 1.00 0.00 C ATOM 457 O GLU A 34 -10.561 7.729 0.993 1.00 0.00 O ATOM 458 CB GLU A 34 -10.563 10.945 0.035 1.00 0.00 C ATOM 459 CG GLU A 34 -12.029 11.078 0.454 1.00 0.00 C ATOM 460 CD GLU A 34 -12.532 12.508 0.245 1.00 0.00 C ATOM 461 OE1 GLU A 34 -11.763 13.434 0.579 1.00 0.00 O ATOM 462 OE2 GLU A 34 -13.674 12.641 -0.245 1.00 0.00 O ATOM 0 H GLU A 34 -7.989 10.818 0.319 1.00 0.00 H new ATOM 0 HA GLU A 34 -10.308 10.036 1.945 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -10.090 11.927 0.036 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.506 10.565 -0.985 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -12.640 10.386 -0.125 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -12.138 10.800 1.502 1.00 0.00 H new ATOM 469 N VAL A 35 -9.040 8.327 -0.570 1.00 0.00 N ATOM 470 CA VAL A 35 -8.966 7.003 -1.164 1.00 0.00 C ATOM 471 C VAL A 35 -8.445 6.009 -0.124 1.00 0.00 C ATOM 472 O VAL A 35 -8.962 4.899 -0.007 1.00 0.00 O ATOM 473 CB VAL A 35 -8.110 7.045 -2.431 1.00 0.00 C ATOM 474 CG1 VAL A 35 -6.620 7.057 -2.086 1.00 0.00 C ATOM 475 CG2 VAL A 35 -8.448 5.878 -3.361 1.00 0.00 C ATOM 0 H VAL A 35 -8.441 9.026 -1.009 1.00 0.00 H new ATOM 0 HA VAL A 35 -9.957 6.666 -1.468 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.339 7.971 -2.959 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.034 7.087 -3.005 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.393 7.936 -1.482 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.369 6.157 -1.525 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.825 5.932 -4.254 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.262 4.936 -2.845 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.498 5.933 -3.647 1.00 0.00 H new ATOM 485 N GLU A 36 -7.429 6.445 0.607 1.00 0.00 N ATOM 486 CA GLU A 36 -6.833 5.608 1.634 1.00 0.00 C ATOM 487 C GLU A 36 -7.878 5.232 2.685 1.00 0.00 C ATOM 488 O GLU A 36 -7.659 4.325 3.487 1.00 0.00 O ATOM 489 CB GLU A 36 -5.632 6.302 2.278 1.00 0.00 C ATOM 490 CG GLU A 36 -6.063 7.132 3.489 1.00 0.00 C ATOM 491 CD GLU A 36 -5.001 8.175 3.845 1.00 0.00 C ATOM 492 OE1 GLU A 36 -4.218 8.522 2.935 1.00 0.00 O ATOM 493 OE2 GLU A 36 -4.997 8.601 5.020 1.00 0.00 O ATOM 0 H GLU A 36 -7.004 7.367 0.508 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.473 4.692 1.165 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.899 5.557 2.586 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -5.144 6.946 1.546 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.009 7.629 3.275 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.234 6.476 4.342 1.00 0.00 H new ATOM 500 N THR A 37 -8.992 5.948 2.649 1.00 0.00 N ATOM 501 CA THR A 37 -10.072 5.701 3.589 1.00 0.00 C ATOM 502 C THR A 37 -11.080 4.715 2.996 1.00 0.00 C ATOM 503 O THR A 37 -11.301 3.639 3.550 1.00 0.00 O ATOM 504 CB THR A 37 -10.690 7.050 3.964 1.00 0.00 C ATOM 505 OG1 THR A 37 -9.604 7.788 4.516 1.00 0.00 O ATOM 506 CG2 THR A 37 -11.688 6.936 5.118 1.00 0.00 C ATOM 0 H THR A 37 -9.170 6.700 1.983 1.00 0.00 H new ATOM 0 HA THR A 37 -9.703 5.231 4.501 1.00 0.00 H new ATOM 0 HB THR A 37 -11.189 7.475 3.093 1.00 0.00 H new ATOM 0 HG1 THR A 37 -9.327 8.484 3.884 1.00 0.00 H new ATOM 0 HG21 THR A 37 -12.097 7.921 5.344 1.00 0.00 H new ATOM 0 HG22 THR A 37 -12.497 6.264 4.834 1.00 0.00 H new ATOM 0 HG23 THR A 37 -11.182 6.542 5.999 1.00 0.00 H new ATOM 514 N ILE A 38 -11.665 5.116 1.877 1.00 0.00 N ATOM 515 CA ILE A 38 -12.644 4.281 1.203 1.00 0.00 C ATOM 516 C ILE A 38 -11.970 2.991 0.731 1.00 0.00 C ATOM 517 O ILE A 38 -12.536 1.907 0.861 1.00 0.00 O ATOM 518 CB ILE A 38 -13.332 5.061 0.081 1.00 0.00 C ATOM 519 CG1 ILE A 38 -14.352 6.051 0.647 1.00 0.00 C ATOM 520 CG2 ILE A 38 -13.961 4.112 -0.941 1.00 0.00 C ATOM 521 CD1 ILE A 38 -13.699 7.401 0.946 1.00 0.00 C ATOM 0 H ILE A 38 -11.479 6.009 1.420 1.00 0.00 H new ATOM 0 HA ILE A 38 -13.437 3.993 1.893 1.00 0.00 H new ATOM 0 HB ILE A 38 -12.575 5.643 -0.444 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -15.166 6.187 -0.065 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -14.790 5.645 1.559 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -14.443 4.692 -1.728 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -13.186 3.482 -1.378 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -14.702 3.484 -0.447 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -14.446 8.086 1.347 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -12.902 7.266 1.677 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -13.283 7.815 0.028 1.00 0.00 H new ATOM 533 N ALA A 39 -10.769 3.152 0.193 1.00 0.00 N ATOM 534 CA ALA A 39 -10.012 2.013 -0.298 1.00 0.00 C ATOM 535 C ALA A 39 -9.740 1.049 0.858 1.00 0.00 C ATOM 536 O ALA A 39 -9.870 -0.164 0.702 1.00 0.00 O ATOM 537 CB ALA A 39 -8.724 2.506 -0.962 1.00 0.00 C ATOM 0 H ALA A 39 -10.302 4.053 0.087 1.00 0.00 H new ATOM 0 HA ALA A 39 -10.581 1.469 -1.052 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.155 1.653 -1.331 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -8.973 3.164 -1.795 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -8.126 3.053 -0.234 1.00 0.00 H new ATOM 543 N LEU A 40 -9.368 1.625 1.992 1.00 0.00 N ATOM 544 CA LEU A 40 -9.077 0.831 3.173 1.00 0.00 C ATOM 545 C LEU A 40 -10.388 0.318 3.773 1.00 0.00 C ATOM 546 O LEU A 40 -10.651 -0.883 3.764 1.00 0.00 O ATOM 547 CB LEU A 40 -8.221 1.630 4.158 1.00 0.00 C ATOM 548 CG LEU A 40 -6.773 1.883 3.736 1.00 0.00 C ATOM 549 CD1 LEU A 40 -6.043 2.745 4.768 1.00 0.00 C ATOM 550 CD2 LEU A 40 -6.041 0.566 3.470 1.00 0.00 C ATOM 0 H LEU A 40 -9.262 2.632 2.118 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.484 -0.044 2.907 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.702 2.593 4.329 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.214 1.104 5.112 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.783 2.441 2.800 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.016 2.910 4.443 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.551 3.705 4.865 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.042 2.236 5.732 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.014 0.775 3.172 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.040 -0.039 4.377 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.547 0.023 2.672 1.00 0.00 H new ATOM 562 N GLN A 41 -11.175 1.255 4.282 1.00 0.00 N ATOM 563 CA GLN A 41 -12.452 0.912 4.885 1.00 0.00 C ATOM 564 C GLN A 41 -13.135 -0.200 4.086 1.00 0.00 C ATOM 565 O GLN A 41 -13.785 -1.072 4.661 1.00 0.00 O ATOM 566 CB GLN A 41 -13.355 2.143 4.993 1.00 0.00 C ATOM 567 CG GLN A 41 -14.301 2.025 6.190 1.00 0.00 C ATOM 568 CD GLN A 41 -15.139 3.295 6.353 1.00 0.00 C ATOM 569 OE1 GLN A 41 -15.409 4.017 5.408 1.00 0.00 O ATOM 570 NE2 GLN A 41 -15.534 3.526 7.602 1.00 0.00 N ATOM 0 H GLN A 41 -10.953 2.251 4.289 1.00 0.00 H new ATOM 0 HA GLN A 41 -12.268 0.546 5.895 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -12.743 3.039 5.095 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -13.934 2.255 4.077 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -14.958 1.166 6.055 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -13.725 1.846 7.098 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -15.273 2.880 8.347 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -16.098 4.349 7.815 1.00 0.00 H new ATOM 579 N ASN A 42 -12.965 -0.133 2.774 1.00 0.00 N ATOM 580 CA ASN A 42 -13.557 -1.123 1.891 1.00 0.00 C ATOM 581 C ASN A 42 -12.693 -2.386 1.896 1.00 0.00 C ATOM 582 O ASN A 42 -13.182 -3.476 2.188 1.00 0.00 O ATOM 583 CB ASN A 42 -13.630 -0.606 0.453 1.00 0.00 C ATOM 584 CG ASN A 42 -14.458 -1.545 -0.426 1.00 0.00 C ATOM 585 OD1 ASN A 42 -14.460 -2.753 -0.259 1.00 0.00 O ATOM 586 ND2 ASN A 42 -15.160 -0.923 -1.369 1.00 0.00 N ATOM 0 H ASN A 42 -12.425 0.592 2.301 1.00 0.00 H new ATOM 0 HA ASN A 42 -14.564 -1.335 2.249 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -14.071 0.391 0.443 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -12.624 -0.513 0.045 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -15.746 -1.461 -2.007 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -15.113 0.092 -1.454 1.00 0.00 H new ATOM 593 N ASN A 43 -11.423 -2.197 1.570 1.00 0.00 N ATOM 594 CA ASN A 43 -10.486 -3.307 1.533 1.00 0.00 C ATOM 595 C ASN A 43 -10.702 -4.191 2.763 1.00 0.00 C ATOM 596 O ASN A 43 -10.531 -5.408 2.695 1.00 0.00 O ATOM 597 CB ASN A 43 -9.040 -2.808 1.558 1.00 0.00 C ATOM 598 CG ASN A 43 -8.588 -2.368 0.164 1.00 0.00 C ATOM 599 OD1 ASN A 43 -8.987 -2.919 -0.849 1.00 0.00 O ATOM 600 ND2 ASN A 43 -7.735 -1.348 0.168 1.00 0.00 N ATOM 0 H ASN A 43 -11.021 -1.291 1.329 1.00 0.00 H new ATOM 0 HA ASN A 43 -10.659 -3.865 0.613 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -8.952 -1.973 2.253 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -8.385 -3.599 1.924 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -7.374 -0.981 -0.713 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -7.441 -0.932 1.052 1.00 0.00 H new ATOM 607 N ARG A 44 -11.074 -3.546 3.859 1.00 0.00 N ATOM 608 CA ARG A 44 -11.315 -4.259 5.102 1.00 0.00 C ATOM 609 C ARG A 44 -12.172 -5.500 4.844 1.00 0.00 C ATOM 610 O ARG A 44 -11.750 -6.620 5.129 1.00 0.00 O ATOM 611 CB ARG A 44 -12.020 -3.364 6.122 1.00 0.00 C ATOM 612 CG ARG A 44 -11.048 -2.347 6.724 1.00 0.00 C ATOM 613 CD ARG A 44 -11.475 -1.952 8.140 1.00 0.00 C ATOM 614 NE ARG A 44 -11.078 -0.553 8.416 1.00 0.00 N ATOM 615 CZ ARG A 44 -11.573 0.184 9.419 1.00 0.00 C ATOM 616 NH1 ARG A 44 -12.488 -0.339 10.247 1.00 0.00 N ATOM 617 NH2 ARG A 44 -11.154 1.445 9.594 1.00 0.00 N ATOM 0 H ARG A 44 -11.214 -2.537 3.912 1.00 0.00 H new ATOM 0 HA ARG A 44 -10.348 -4.559 5.506 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -12.847 -2.841 5.642 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -12.448 -3.977 6.915 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -10.043 -2.769 6.748 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -11.007 -1.460 6.092 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -12.554 -2.060 8.247 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -11.014 -2.620 8.868 1.00 0.00 H new ATOM 0 HE ARG A 44 -10.384 -0.123 7.804 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -12.808 -1.298 10.113 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -12.865 0.222 11.011 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -10.458 1.843 8.963 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -11.531 2.006 10.358 1.00 0.00 H new ATOM 631 N GLU A 45 -13.360 -5.259 4.309 1.00 0.00 N ATOM 632 CA GLU A 45 -14.279 -6.344 4.010 1.00 0.00 C ATOM 633 C GLU A 45 -13.599 -7.388 3.123 1.00 0.00 C ATOM 634 O GLU A 45 -13.810 -8.587 3.295 1.00 0.00 O ATOM 635 CB GLU A 45 -15.556 -5.815 3.353 1.00 0.00 C ATOM 636 CG GLU A 45 -16.536 -5.289 4.403 1.00 0.00 C ATOM 637 CD GLU A 45 -17.983 -5.552 3.983 1.00 0.00 C ATOM 638 OE1 GLU A 45 -18.261 -5.395 2.775 1.00 0.00 O ATOM 639 OE2 GLU A 45 -18.779 -5.904 4.880 1.00 0.00 O ATOM 0 H GLU A 45 -13.707 -4.329 4.075 1.00 0.00 H new ATOM 0 HA GLU A 45 -14.562 -6.822 4.948 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -15.306 -5.018 2.653 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -16.028 -6.610 2.776 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -16.339 -5.768 5.362 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -16.383 -4.219 4.544 1.00 0.00 H new ATOM 646 N ASN A 46 -12.795 -6.894 2.192 1.00 0.00 N ATOM 647 CA ASN A 46 -12.082 -7.770 1.278 1.00 0.00 C ATOM 648 C ASN A 46 -10.938 -8.459 2.025 1.00 0.00 C ATOM 649 O ASN A 46 -10.250 -7.831 2.828 1.00 0.00 O ATOM 650 CB ASN A 46 -11.478 -6.978 0.116 1.00 0.00 C ATOM 651 CG ASN A 46 -11.092 -7.906 -1.038 1.00 0.00 C ATOM 652 OD1 ASN A 46 -10.750 -9.062 -0.851 1.00 0.00 O ATOM 653 ND2 ASN A 46 -11.166 -7.337 -2.238 1.00 0.00 N ATOM 0 H ASN A 46 -12.622 -5.899 2.051 1.00 0.00 H new ATOM 0 HA ASN A 46 -12.792 -8.500 0.888 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -12.195 -6.235 -0.234 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -10.598 -6.434 0.460 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -10.929 -7.874 -3.072 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -11.460 -6.364 -2.324 1.00 0.00 H new ATOM 660 N GLN A 47 -10.772 -9.741 1.735 1.00 0.00 N ATOM 661 CA GLN A 47 -9.724 -10.522 2.370 1.00 0.00 C ATOM 662 C GLN A 47 -8.441 -10.463 1.539 1.00 0.00 C ATOM 663 O GLN A 47 -7.352 -10.282 2.082 1.00 0.00 O ATOM 664 CB GLN A 47 -10.172 -11.968 2.585 1.00 0.00 C ATOM 665 CG GLN A 47 -9.766 -12.467 3.974 1.00 0.00 C ATOM 666 CD GLN A 47 -10.997 -12.828 4.808 1.00 0.00 C ATOM 667 OE1 GLN A 47 -12.131 -12.651 4.397 1.00 0.00 O ATOM 668 NE2 GLN A 47 -10.710 -13.343 6.000 1.00 0.00 N ATOM 0 H GLN A 47 -11.346 -10.258 1.069 1.00 0.00 H new ATOM 0 HA GLN A 47 -9.519 -10.091 3.350 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -11.254 -12.038 2.471 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -9.729 -12.607 1.821 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -9.120 -13.339 3.876 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -9.188 -11.698 4.486 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -9.737 -13.464 6.282 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -11.462 -13.617 6.632 1.00 0.00 H new ATOM 677 N ALA A 48 -8.611 -10.621 0.234 1.00 0.00 N ATOM 678 CA ALA A 48 -7.480 -10.588 -0.678 1.00 0.00 C ATOM 679 C ALA A 48 -6.570 -9.414 -0.313 1.00 0.00 C ATOM 680 O ALA A 48 -5.348 -9.551 -0.301 1.00 0.00 O ATOM 681 CB ALA A 48 -7.988 -10.507 -2.118 1.00 0.00 C ATOM 0 H ALA A 48 -9.515 -10.772 -0.213 1.00 0.00 H new ATOM 0 HA ALA A 48 -6.890 -11.501 -0.592 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -7.140 -10.482 -2.802 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -8.605 -11.379 -2.336 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.582 -9.602 -2.244 1.00 0.00 H new ATOM 687 N PHE A 49 -7.201 -8.285 -0.024 1.00 0.00 N ATOM 688 CA PHE A 49 -6.464 -7.087 0.340 1.00 0.00 C ATOM 689 C PHE A 49 -6.028 -7.136 1.805 1.00 0.00 C ATOM 690 O PHE A 49 -6.275 -6.198 2.562 1.00 0.00 O ATOM 691 CB PHE A 49 -7.410 -5.902 0.141 1.00 0.00 C ATOM 692 CG PHE A 49 -7.665 -5.547 -1.326 1.00 0.00 C ATOM 693 CD1 PHE A 49 -6.621 -5.451 -2.193 1.00 0.00 C ATOM 694 CD2 PHE A 49 -8.934 -5.329 -1.763 1.00 0.00 C ATOM 695 CE1 PHE A 49 -6.857 -5.123 -3.554 1.00 0.00 C ATOM 696 CE2 PHE A 49 -9.170 -5.000 -3.124 1.00 0.00 C ATOM 697 CZ PHE A 49 -8.127 -4.904 -3.991 1.00 0.00 C ATOM 0 H PHE A 49 -8.215 -8.175 -0.035 1.00 0.00 H new ATOM 0 HA PHE A 49 -5.568 -7.000 -0.275 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -8.363 -6.127 0.620 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -6.996 -5.031 0.648 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -5.613 -5.624 -1.846 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -9.763 -5.406 -1.075 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -6.028 -5.047 -4.243 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -10.178 -4.826 -3.471 1.00 0.00 H new ATOM 0 HZ PHE A 49 -8.306 -4.654 -5.026 1.00 0.00 H new ATOM 707 N SER A 50 -5.387 -8.239 2.162 1.00 0.00 N ATOM 708 CA SER A 50 -4.914 -8.422 3.524 1.00 0.00 C ATOM 709 C SER A 50 -3.468 -7.937 3.645 1.00 0.00 C ATOM 710 O SER A 50 -3.011 -7.604 4.737 1.00 0.00 O ATOM 711 CB SER A 50 -5.020 -9.888 3.951 1.00 0.00 C ATOM 712 OG SER A 50 -4.485 -10.770 2.969 1.00 0.00 O ATOM 0 H SER A 50 -5.184 -9.015 1.532 1.00 0.00 H new ATOM 0 HA SER A 50 -5.545 -7.832 4.188 1.00 0.00 H new ATOM 0 HB2 SER A 50 -4.490 -10.030 4.893 1.00 0.00 H new ATOM 0 HB3 SER A 50 -6.065 -10.138 4.132 1.00 0.00 H new ATOM 0 HG SER A 50 -5.177 -10.982 2.308 1.00 0.00 H new ATOM 718 N PHE A 51 -2.787 -7.914 2.508 1.00 0.00 N ATOM 719 CA PHE A 51 -1.403 -7.476 2.474 1.00 0.00 C ATOM 720 C PHE A 51 -1.274 -6.027 2.950 1.00 0.00 C ATOM 721 O PHE A 51 -0.172 -5.556 3.227 1.00 0.00 O ATOM 722 CB PHE A 51 -0.942 -7.564 1.018 1.00 0.00 C ATOM 723 CG PHE A 51 -1.570 -6.513 0.101 1.00 0.00 C ATOM 724 CD1 PHE A 51 -1.220 -5.205 0.226 1.00 0.00 C ATOM 725 CD2 PHE A 51 -2.478 -6.886 -0.840 1.00 0.00 C ATOM 726 CE1 PHE A 51 -1.803 -4.229 -0.625 1.00 0.00 C ATOM 727 CE2 PHE A 51 -3.061 -5.911 -1.691 1.00 0.00 C ATOM 728 CZ PHE A 51 -2.712 -4.602 -1.565 1.00 0.00 C ATOM 0 H PHE A 51 -3.169 -8.192 1.604 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.799 -8.101 3.131 1.00 0.00 H new ATOM 0 HB2 PHE A 51 0.142 -7.459 0.984 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.179 -8.556 0.632 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -0.498 -4.908 0.973 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -2.756 -7.925 -0.940 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -1.524 -3.190 -0.526 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.782 -6.208 -2.439 1.00 0.00 H new ATOM 0 HZ PHE A 51 -3.157 -3.860 -2.211 1.00 0.00 H new ATOM 738 N LEU A 52 -2.416 -5.361 3.030 1.00 0.00 N ATOM 739 CA LEU A 52 -2.446 -3.975 3.467 1.00 0.00 C ATOM 740 C LEU A 52 -2.245 -3.919 4.983 1.00 0.00 C ATOM 741 O LEU A 52 -1.600 -3.005 5.494 1.00 0.00 O ATOM 742 CB LEU A 52 -3.728 -3.290 2.991 1.00 0.00 C ATOM 743 CG LEU A 52 -3.878 -3.126 1.477 1.00 0.00 C ATOM 744 CD1 LEU A 52 -5.350 -2.984 1.085 1.00 0.00 C ATOM 745 CD2 LEU A 52 -3.033 -1.957 0.966 1.00 0.00 C ATOM 0 H LEU A 52 -3.328 -5.755 2.800 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.627 -3.415 3.015 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.580 -3.860 3.361 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.781 -2.303 3.451 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.502 -4.029 0.996 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.429 -2.869 0.004 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.897 -3.874 1.396 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -5.774 -2.108 1.575 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.158 -1.862 -0.113 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.356 -1.036 1.451 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.983 -2.139 1.195 1.00 0.00 H new ATOM 757 N TYR A 53 -2.810 -4.909 5.659 1.00 0.00 N ATOM 758 CA TYR A 53 -2.701 -4.984 7.106 1.00 0.00 C ATOM 759 C TYR A 53 -1.609 -5.971 7.524 1.00 0.00 C ATOM 760 O TYR A 53 -0.676 -5.606 8.236 1.00 0.00 O ATOM 761 CB TYR A 53 -4.053 -5.496 7.605 1.00 0.00 C ATOM 762 CG TYR A 53 -5.254 -4.919 6.851 1.00 0.00 C ATOM 763 CD1 TYR A 53 -5.546 -3.574 6.946 1.00 0.00 C ATOM 764 CD2 TYR A 53 -6.043 -5.745 6.077 1.00 0.00 C ATOM 765 CE1 TYR A 53 -6.676 -3.031 6.237 1.00 0.00 C ATOM 766 CE2 TYR A 53 -7.173 -5.202 5.367 1.00 0.00 C ATOM 767 CZ TYR A 53 -7.433 -3.872 5.483 1.00 0.00 C ATOM 768 OH TYR A 53 -8.500 -3.360 4.813 1.00 0.00 O ATOM 0 H TYR A 53 -3.344 -5.665 5.231 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.444 -4.010 7.522 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -4.072 -6.583 7.521 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -4.152 -5.257 8.664 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -4.927 -2.928 7.552 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -5.814 -6.798 6.003 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -6.916 -1.980 6.303 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -7.799 -5.836 4.757 1.00 0.00 H new ATOM 0 HH TYR A 53 -8.193 -2.670 4.188 1.00 0.00 H new ATOM 778 N ASP A 54 -1.763 -7.204 7.062 1.00 0.00 N ATOM 779 CA ASP A 54 -0.802 -8.247 7.379 1.00 0.00 C ATOM 780 C ASP A 54 0.613 -7.671 7.301 1.00 0.00 C ATOM 781 O ASP A 54 1.161 -7.506 6.212 1.00 0.00 O ATOM 782 CB ASP A 54 -0.898 -9.404 6.382 1.00 0.00 C ATOM 783 CG ASP A 54 -2.159 -10.261 6.505 1.00 0.00 C ATOM 784 OD1 ASP A 54 -3.220 -9.670 6.800 1.00 0.00 O ATOM 785 OD2 ASP A 54 -2.034 -11.488 6.301 1.00 0.00 O ATOM 0 H ASP A 54 -2.538 -7.504 6.471 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.021 -8.615 8.381 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -0.850 -8.998 5.372 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.027 -10.046 6.509 1.00 0.00 H new ATOM 790 N PRO A 55 1.180 -7.374 8.501 1.00 0.00 N ATOM 791 CA PRO A 55 2.521 -6.820 8.579 1.00 0.00 C ATOM 792 C PRO A 55 3.575 -7.896 8.309 1.00 0.00 C ATOM 793 O PRO A 55 4.506 -7.677 7.536 1.00 0.00 O ATOM 794 CB PRO A 55 2.621 -6.228 9.975 1.00 0.00 C ATOM 795 CG PRO A 55 1.509 -6.876 10.784 1.00 0.00 C ATOM 796 CD PRO A 55 0.561 -7.556 9.811 1.00 0.00 C ATOM 0 HA PRO A 55 2.706 -6.057 7.823 1.00 0.00 H new ATOM 0 HB2 PRO A 55 3.596 -6.433 10.417 1.00 0.00 H new ATOM 0 HB3 PRO A 55 2.504 -5.145 9.949 1.00 0.00 H new ATOM 0 HG2 PRO A 55 1.920 -7.601 11.486 1.00 0.00 H new ATOM 0 HG3 PRO A 55 0.979 -6.127 11.373 1.00 0.00 H new ATOM 0 HD2 PRO A 55 0.441 -8.613 10.049 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -0.431 -7.107 9.846 1.00 0.00 H new ATOM 804 N ASN A 56 3.392 -9.035 8.961 1.00 0.00 N ATOM 805 CA ASN A 56 4.316 -10.145 8.801 1.00 0.00 C ATOM 806 C ASN A 56 4.662 -10.305 7.319 1.00 0.00 C ATOM 807 O ASN A 56 5.832 -10.441 6.963 1.00 0.00 O ATOM 808 CB ASN A 56 3.691 -11.455 9.284 1.00 0.00 C ATOM 809 CG ASN A 56 3.695 -11.534 10.812 1.00 0.00 C ATOM 810 OD1 ASN A 56 4.732 -11.569 11.455 1.00 0.00 O ATOM 811 ND2 ASN A 56 2.482 -11.560 11.356 1.00 0.00 N ATOM 0 H ASN A 56 2.618 -9.213 9.601 1.00 0.00 H new ATOM 0 HA ASN A 56 5.207 -9.931 9.392 1.00 0.00 H new ATOM 0 HB2 ASN A 56 2.668 -11.532 8.915 1.00 0.00 H new ATOM 0 HB3 ASN A 56 4.243 -12.299 8.871 1.00 0.00 H new ATOM 0 HD21 ASN A 56 2.379 -11.612 12.369 1.00 0.00 H new ATOM 0 HD22 ASN A 56 1.655 -11.528 10.760 1.00 0.00 H new ATOM 818 N SER A 57 3.625 -10.283 6.496 1.00 0.00 N ATOM 819 CA SER A 57 3.805 -10.424 5.061 1.00 0.00 C ATOM 820 C SER A 57 4.773 -9.356 4.548 1.00 0.00 C ATOM 821 O SER A 57 4.886 -8.282 5.136 1.00 0.00 O ATOM 822 CB SER A 57 2.467 -10.326 4.326 1.00 0.00 C ATOM 823 OG SER A 57 2.166 -11.516 3.602 1.00 0.00 O ATOM 0 H SER A 57 2.656 -10.170 6.795 1.00 0.00 H new ATOM 0 HA SER A 57 4.225 -11.410 4.864 1.00 0.00 H new ATOM 0 HB2 SER A 57 1.672 -10.129 5.045 1.00 0.00 H new ATOM 0 HB3 SER A 57 2.492 -9.480 3.639 1.00 0.00 H new ATOM 0 HG SER A 57 1.303 -11.414 3.148 1.00 0.00 H new ATOM 829 N GLN A 58 5.446 -9.689 3.456 1.00 0.00 N ATOM 830 CA GLN A 58 6.400 -8.772 2.857 1.00 0.00 C ATOM 831 C GLN A 58 5.684 -7.800 1.916 1.00 0.00 C ATOM 832 O GLN A 58 6.114 -6.659 1.752 1.00 0.00 O ATOM 833 CB GLN A 58 7.505 -9.533 2.122 1.00 0.00 C ATOM 834 CG GLN A 58 8.734 -9.715 3.016 1.00 0.00 C ATOM 835 CD GLN A 58 9.281 -11.140 2.912 1.00 0.00 C ATOM 836 OE1 GLN A 58 10.145 -11.443 2.106 1.00 0.00 O ATOM 837 NE2 GLN A 58 8.731 -11.994 3.770 1.00 0.00 N ATOM 0 H GLN A 58 5.349 -10.581 2.971 1.00 0.00 H new ATOM 0 HA GLN A 58 6.870 -8.196 3.654 1.00 0.00 H new ATOM 0 HB2 GLN A 58 7.133 -10.508 1.807 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.785 -8.992 1.218 1.00 0.00 H new ATOM 0 HG2 GLN A 58 9.507 -9.003 2.727 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.471 -9.497 4.051 1.00 0.00 H new ATOM 0 HE21 GLN A 58 8.012 -11.673 4.418 1.00 0.00 H new ATOM 0 HE22 GLN A 58 9.028 -12.970 3.780 1.00 0.00 H new ATOM 846 N GLY A 59 4.605 -8.288 1.323 1.00 0.00 N ATOM 847 CA GLY A 59 3.826 -7.478 0.403 1.00 0.00 C ATOM 848 C GLY A 59 3.502 -6.113 1.014 1.00 0.00 C ATOM 849 O GLY A 59 3.733 -5.079 0.389 1.00 0.00 O ATOM 0 H GLY A 59 4.252 -9.235 1.462 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.380 -7.342 -0.526 1.00 0.00 H new ATOM 0 HA3 GLY A 59 2.901 -7.996 0.150 1.00 0.00 H new ATOM 853 N TYR A 60 2.973 -6.154 2.228 1.00 0.00 N ATOM 854 CA TYR A 60 2.615 -4.933 2.930 1.00 0.00 C ATOM 855 C TYR A 60 3.688 -3.859 2.743 1.00 0.00 C ATOM 856 O TYR A 60 3.377 -2.716 2.413 1.00 0.00 O ATOM 857 CB TYR A 60 2.536 -5.307 4.411 1.00 0.00 C ATOM 858 CG TYR A 60 2.652 -4.112 5.361 1.00 0.00 C ATOM 859 CD1 TYR A 60 1.841 -3.009 5.185 1.00 0.00 C ATOM 860 CD2 TYR A 60 3.566 -4.138 6.394 1.00 0.00 C ATOM 861 CE1 TYR A 60 1.950 -1.886 6.078 1.00 0.00 C ATOM 862 CE2 TYR A 60 3.675 -3.015 7.288 1.00 0.00 C ATOM 863 CZ TYR A 60 2.862 -1.944 7.086 1.00 0.00 C ATOM 864 OH TYR A 60 2.964 -0.882 7.930 1.00 0.00 O ATOM 0 H TYR A 60 2.784 -7.014 2.743 1.00 0.00 H new ATOM 0 HA TYR A 60 1.676 -4.532 2.550 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.590 -5.816 4.597 1.00 0.00 H new ATOM 0 HB3 TYR A 60 3.330 -6.018 4.639 1.00 0.00 H new ATOM 0 HD1 TYR A 60 1.125 -2.989 4.377 1.00 0.00 H new ATOM 0 HD2 TYR A 60 4.200 -5.001 6.532 1.00 0.00 H new ATOM 0 HE1 TYR A 60 1.322 -1.017 5.951 1.00 0.00 H new ATOM 0 HE2 TYR A 60 4.386 -3.023 8.101 1.00 0.00 H new ATOM 0 HH TYR A 60 3.655 -1.063 8.601 1.00 0.00 H new ATOM 874 N ARG A 61 4.930 -4.264 2.963 1.00 0.00 N ATOM 875 CA ARG A 61 6.052 -3.351 2.823 1.00 0.00 C ATOM 876 C ARG A 61 6.166 -2.868 1.375 1.00 0.00 C ATOM 877 O ARG A 61 6.159 -1.666 1.116 1.00 0.00 O ATOM 878 CB ARG A 61 7.364 -4.022 3.235 1.00 0.00 C ATOM 879 CG ARG A 61 7.393 -4.290 4.741 1.00 0.00 C ATOM 880 CD ARG A 61 7.702 -5.760 5.030 1.00 0.00 C ATOM 881 NE ARG A 61 8.378 -5.887 6.340 1.00 0.00 N ATOM 882 CZ ARG A 61 8.684 -7.057 6.918 1.00 0.00 C ATOM 883 NH1 ARG A 61 8.374 -8.208 6.305 1.00 0.00 N ATOM 884 NH2 ARG A 61 9.298 -7.076 8.108 1.00 0.00 N ATOM 0 H ARG A 61 5.184 -5.213 3.237 1.00 0.00 H new ATOM 0 HA ARG A 61 5.871 -2.500 3.480 1.00 0.00 H new ATOM 0 HB2 ARG A 61 7.483 -4.960 2.693 1.00 0.00 H new ATOM 0 HB3 ARG A 61 8.205 -3.385 2.959 1.00 0.00 H new ATOM 0 HG2 ARG A 61 8.145 -3.657 5.212 1.00 0.00 H new ATOM 0 HG3 ARG A 61 6.432 -4.024 5.180 1.00 0.00 H new ATOM 0 HD2 ARG A 61 6.780 -6.341 5.030 1.00 0.00 H new ATOM 0 HD3 ARG A 61 8.336 -6.168 4.243 1.00 0.00 H new ATOM 0 HE ARG A 61 8.627 -5.030 6.834 1.00 0.00 H new ATOM 0 HH11 ARG A 61 7.905 -8.193 5.399 1.00 0.00 H new ATOM 0 HH12 ARG A 61 8.607 -9.099 6.744 1.00 0.00 H new ATOM 0 HH21 ARG A 61 9.533 -6.200 8.575 1.00 0.00 H new ATOM 0 HH22 ARG A 61 9.531 -7.966 8.548 1.00 0.00 H new ATOM 898 N TYR A 62 6.268 -3.831 0.471 1.00 0.00 N ATOM 899 CA TYR A 62 6.384 -3.519 -0.944 1.00 0.00 C ATOM 900 C TYR A 62 5.250 -2.597 -1.397 1.00 0.00 C ATOM 901 O TYR A 62 5.442 -1.754 -2.271 1.00 0.00 O ATOM 902 CB TYR A 62 6.265 -4.854 -1.681 1.00 0.00 C ATOM 903 CG TYR A 62 5.861 -4.720 -3.150 1.00 0.00 C ATOM 904 CD1 TYR A 62 4.576 -4.340 -3.481 1.00 0.00 C ATOM 905 CD2 TYR A 62 6.782 -4.979 -4.146 1.00 0.00 C ATOM 906 CE1 TYR A 62 4.196 -4.214 -4.864 1.00 0.00 C ATOM 907 CE2 TYR A 62 6.401 -4.853 -5.529 1.00 0.00 C ATOM 908 CZ TYR A 62 5.127 -4.476 -5.820 1.00 0.00 C ATOM 909 OH TYR A 62 4.768 -4.357 -7.126 1.00 0.00 O ATOM 0 H TYR A 62 6.273 -4.827 0.690 1.00 0.00 H new ATOM 0 HA TYR A 62 7.326 -3.011 -1.149 1.00 0.00 H new ATOM 0 HB2 TYR A 62 7.221 -5.375 -1.624 1.00 0.00 H new ATOM 0 HB3 TYR A 62 5.531 -5.476 -1.168 1.00 0.00 H new ATOM 0 HD1 TYR A 62 3.855 -4.137 -2.702 1.00 0.00 H new ATOM 0 HD2 TYR A 62 7.788 -5.276 -3.888 1.00 0.00 H new ATOM 0 HE1 TYR A 62 3.194 -3.918 -5.136 1.00 0.00 H new ATOM 0 HE2 TYR A 62 7.111 -5.053 -6.318 1.00 0.00 H new ATOM 0 HH TYR A 62 4.154 -5.083 -7.364 1.00 0.00 H new ATOM 919 N TYR A 63 4.092 -2.790 -0.781 1.00 0.00 N ATOM 920 CA TYR A 63 2.927 -1.986 -1.110 1.00 0.00 C ATOM 921 C TYR A 63 3.126 -0.531 -0.683 1.00 0.00 C ATOM 922 O TYR A 63 2.911 0.387 -1.473 1.00 0.00 O ATOM 923 CB TYR A 63 1.765 -2.584 -0.314 1.00 0.00 C ATOM 924 CG TYR A 63 0.665 -1.578 0.031 1.00 0.00 C ATOM 925 CD1 TYR A 63 -0.274 -1.229 -0.919 1.00 0.00 C ATOM 926 CD2 TYR A 63 0.611 -1.020 1.292 1.00 0.00 C ATOM 927 CE1 TYR A 63 -1.309 -0.283 -0.594 1.00 0.00 C ATOM 928 CE2 TYR A 63 -0.425 -0.074 1.617 1.00 0.00 C ATOM 929 CZ TYR A 63 -1.334 0.248 0.657 1.00 0.00 C ATOM 930 OH TYR A 63 -2.311 1.143 0.964 1.00 0.00 O ATOM 0 H TYR A 63 3.936 -3.491 -0.057 1.00 0.00 H new ATOM 0 HA TYR A 63 2.746 -1.994 -2.185 1.00 0.00 H new ATOM 0 HB2 TYR A 63 1.328 -3.402 -0.887 1.00 0.00 H new ATOM 0 HB3 TYR A 63 2.153 -3.013 0.610 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -0.232 -1.666 -1.906 1.00 0.00 H new ATOM 0 HD2 TYR A 63 1.346 -1.293 2.035 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -2.049 -0.001 -1.328 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -0.479 0.370 2.600 1.00 0.00 H new ATOM 0 HH TYR A 63 -2.205 1.437 1.893 1.00 0.00 H new ATOM 940 N ARG A 64 3.536 -0.365 0.567 1.00 0.00 N ATOM 941 CA ARG A 64 3.766 0.964 1.108 1.00 0.00 C ATOM 942 C ARG A 64 4.760 1.729 0.232 1.00 0.00 C ATOM 943 O ARG A 64 4.513 2.875 -0.138 1.00 0.00 O ATOM 944 CB ARG A 64 4.308 0.889 2.537 1.00 0.00 C ATOM 945 CG ARG A 64 3.180 1.036 3.560 1.00 0.00 C ATOM 946 CD ARG A 64 3.042 2.489 4.019 1.00 0.00 C ATOM 947 NE ARG A 64 4.119 2.822 4.978 1.00 0.00 N ATOM 948 CZ ARG A 64 4.278 4.027 5.541 1.00 0.00 C ATOM 949 NH1 ARG A 64 3.431 5.022 5.244 1.00 0.00 N ATOM 950 NH2 ARG A 64 5.285 4.238 6.400 1.00 0.00 N ATOM 0 H ARG A 64 3.715 -1.128 1.220 1.00 0.00 H new ATOM 0 HA ARG A 64 2.810 1.488 1.120 1.00 0.00 H new ATOM 0 HB2 ARG A 64 4.818 -0.063 2.687 1.00 0.00 H new ATOM 0 HB3 ARG A 64 5.048 1.675 2.691 1.00 0.00 H new ATOM 0 HG2 ARG A 64 2.241 0.699 3.122 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.379 0.396 4.420 1.00 0.00 H new ATOM 0 HD2 ARG A 64 3.091 3.157 3.159 1.00 0.00 H new ATOM 0 HD3 ARG A 64 2.069 2.641 4.486 1.00 0.00 H new ATOM 0 HE ARG A 64 4.782 2.088 5.226 1.00 0.00 H new ATOM 0 HH11 ARG A 64 2.665 4.862 4.589 1.00 0.00 H new ATOM 0 HH12 ARG A 64 3.552 5.940 5.673 1.00 0.00 H new ATOM 0 HH21 ARG A 64 5.930 3.481 6.625 1.00 0.00 H new ATOM 0 HH22 ARG A 64 5.406 5.156 6.829 1.00 0.00 H new ATOM 964 N GLN A 65 5.864 1.063 -0.074 1.00 0.00 N ATOM 965 CA GLN A 65 6.897 1.666 -0.900 1.00 0.00 C ATOM 966 C GLN A 65 6.273 2.335 -2.126 1.00 0.00 C ATOM 967 O GLN A 65 6.411 3.543 -2.316 1.00 0.00 O ATOM 968 CB GLN A 65 7.943 0.629 -1.314 1.00 0.00 C ATOM 969 CG GLN A 65 9.241 1.307 -1.759 1.00 0.00 C ATOM 970 CD GLN A 65 10.055 0.387 -2.670 1.00 0.00 C ATOM 971 OE1 GLN A 65 9.570 -0.607 -3.186 1.00 0.00 O ATOM 972 NE2 GLN A 65 11.317 0.772 -2.840 1.00 0.00 N ATOM 0 H GLN A 65 6.066 0.112 0.235 1.00 0.00 H new ATOM 0 HA GLN A 65 7.405 2.431 -0.312 1.00 0.00 H new ATOM 0 HB2 GLN A 65 8.146 -0.041 -0.479 1.00 0.00 H new ATOM 0 HB3 GLN A 65 7.551 0.016 -2.126 1.00 0.00 H new ATOM 0 HG2 GLN A 65 9.010 2.234 -2.285 1.00 0.00 H new ATOM 0 HG3 GLN A 65 9.833 1.576 -0.884 1.00 0.00 H new ATOM 0 HE21 GLN A 65 11.660 1.615 -2.379 1.00 0.00 H new ATOM 0 HE22 GLN A 65 11.942 0.224 -3.432 1.00 0.00 H new ATOM 981 N LYS A 66 5.599 1.522 -2.926 1.00 0.00 N ATOM 982 CA LYS A 66 4.953 2.020 -4.128 1.00 0.00 C ATOM 983 C LYS A 66 4.117 3.253 -3.779 1.00 0.00 C ATOM 984 O LYS A 66 4.006 4.179 -4.581 1.00 0.00 O ATOM 985 CB LYS A 66 4.154 0.906 -4.807 1.00 0.00 C ATOM 986 CG LYS A 66 5.083 -0.175 -5.364 1.00 0.00 C ATOM 987 CD LYS A 66 5.730 0.279 -6.673 1.00 0.00 C ATOM 988 CE LYS A 66 6.789 -0.723 -7.138 1.00 0.00 C ATOM 989 NZ LYS A 66 8.075 -0.474 -6.450 1.00 0.00 N ATOM 0 H LYS A 66 5.486 0.521 -2.765 1.00 0.00 H new ATOM 0 HA LYS A 66 5.698 2.336 -4.858 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.462 0.462 -4.091 1.00 0.00 H new ATOM 0 HB3 LYS A 66 3.553 1.325 -5.614 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.857 -0.406 -4.633 1.00 0.00 H new ATOM 0 HG3 LYS A 66 4.519 -1.093 -5.532 1.00 0.00 H new ATOM 0 HD2 LYS A 66 4.965 0.388 -7.442 1.00 0.00 H new ATOM 0 HD3 LYS A 66 6.187 1.259 -6.536 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.451 -1.739 -6.934 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.925 -0.643 -8.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.783 -1.162 -6.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 8.403 0.489 -6.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 7.944 -0.573 -5.423 1.00 0.00 H new ATOM 1003 N LEU A 67 3.550 3.224 -2.582 1.00 0.00 N ATOM 1004 CA LEU A 67 2.727 4.328 -2.117 1.00 0.00 C ATOM 1005 C LEU A 67 3.575 5.600 -2.057 1.00 0.00 C ATOM 1006 O LEU A 67 3.129 6.667 -2.476 1.00 0.00 O ATOM 1007 CB LEU A 67 2.055 3.973 -0.789 1.00 0.00 C ATOM 1008 CG LEU A 67 0.669 4.578 -0.556 1.00 0.00 C ATOM 1009 CD1 LEU A 67 -0.368 3.947 -1.487 1.00 0.00 C ATOM 1010 CD2 LEU A 67 0.263 4.467 0.915 1.00 0.00 C ATOM 0 H LEU A 67 3.644 2.454 -1.920 1.00 0.00 H new ATOM 0 HA LEU A 67 1.914 4.519 -2.818 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.971 2.888 -0.725 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.709 4.290 0.023 1.00 0.00 H new ATOM 0 HG LEU A 67 0.714 5.640 -0.798 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.344 4.395 -1.301 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.080 4.122 -2.524 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.419 2.874 -1.301 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.726 4.904 1.054 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.240 3.417 1.208 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.985 5.000 1.533 1.00 0.00 H new ATOM 1022 N ASP A 68 4.781 5.445 -1.532 1.00 0.00 N ATOM 1023 CA ASP A 68 5.695 6.568 -1.412 1.00 0.00 C ATOM 1024 C ASP A 68 6.236 6.931 -2.796 1.00 0.00 C ATOM 1025 O ASP A 68 6.334 8.108 -3.139 1.00 0.00 O ATOM 1026 CB ASP A 68 6.885 6.216 -0.517 1.00 0.00 C ATOM 1027 CG ASP A 68 7.460 7.386 0.285 1.00 0.00 C ATOM 1028 OD1 ASP A 68 7.110 8.536 -0.059 1.00 0.00 O ATOM 1029 OD2 ASP A 68 8.236 7.104 1.223 1.00 0.00 O ATOM 0 H ASP A 68 5.147 4.558 -1.185 1.00 0.00 H new ATOM 0 HA ASP A 68 5.148 7.402 -0.973 1.00 0.00 H new ATOM 0 HB2 ASP A 68 6.579 5.434 0.178 1.00 0.00 H new ATOM 0 HB3 ASP A 68 7.677 5.797 -1.139 1.00 0.00 H new ATOM 1034 N GLU A 69 6.572 5.898 -3.554 1.00 0.00 N ATOM 1035 CA GLU A 69 7.100 6.093 -4.894 1.00 0.00 C ATOM 1036 C GLU A 69 6.144 6.955 -5.721 1.00 0.00 C ATOM 1037 O GLU A 69 6.579 7.834 -6.463 1.00 0.00 O ATOM 1038 CB GLU A 69 7.363 4.752 -5.581 1.00 0.00 C ATOM 1039 CG GLU A 69 8.835 4.618 -5.977 1.00 0.00 C ATOM 1040 CD GLU A 69 9.661 4.034 -4.829 1.00 0.00 C ATOM 1041 OE1 GLU A 69 9.274 2.947 -4.348 1.00 0.00 O ATOM 1042 OE2 GLU A 69 10.660 4.687 -4.459 1.00 0.00 O ATOM 0 H GLU A 69 6.489 4.923 -3.266 1.00 0.00 H new ATOM 0 HA GLU A 69 8.053 6.616 -4.815 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.087 3.937 -4.912 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.735 4.664 -6.467 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.922 3.978 -6.855 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.231 5.595 -6.254 1.00 0.00 H new ATOM 1049 N PHE A 70 4.859 6.671 -5.566 1.00 0.00 N ATOM 1050 CA PHE A 70 3.837 7.409 -6.289 1.00 0.00 C ATOM 1051 C PHE A 70 3.514 8.729 -5.587 1.00 0.00 C ATOM 1052 O PHE A 70 3.626 9.798 -6.185 1.00 0.00 O ATOM 1053 CB PHE A 70 2.582 6.534 -6.308 1.00 0.00 C ATOM 1054 CG PHE A 70 2.824 5.110 -6.812 1.00 0.00 C ATOM 1055 CD1 PHE A 70 3.909 4.837 -7.586 1.00 0.00 C ATOM 1056 CD2 PHE A 70 1.954 4.116 -6.487 1.00 0.00 C ATOM 1057 CE1 PHE A 70 4.134 3.516 -8.053 1.00 0.00 C ATOM 1058 CE2 PHE A 70 2.178 2.795 -6.955 1.00 0.00 C ATOM 1059 CZ PHE A 70 3.263 2.522 -7.728 1.00 0.00 C ATOM 0 H PHE A 70 4.502 5.940 -4.950 1.00 0.00 H new ATOM 0 HA PHE A 70 4.187 7.640 -7.295 1.00 0.00 H new ATOM 0 HB2 PHE A 70 2.169 6.487 -5.300 1.00 0.00 H new ATOM 0 HB3 PHE A 70 1.830 7.009 -6.938 1.00 0.00 H new ATOM 0 HD1 PHE A 70 4.599 5.626 -7.845 1.00 0.00 H new ATOM 0 HD2 PHE A 70 1.093 4.332 -5.873 1.00 0.00 H new ATOM 0 HE1 PHE A 70 4.996 3.299 -8.666 1.00 0.00 H new ATOM 0 HE2 PHE A 70 1.487 2.006 -6.697 1.00 0.00 H new ATOM 0 HZ PHE A 70 3.433 1.517 -8.084 1.00 0.00 H new ATOM 1069 N ARG A 71 3.118 8.612 -4.328 1.00 0.00 N ATOM 1070 CA ARG A 71 2.777 9.783 -3.538 1.00 0.00 C ATOM 1071 C ARG A 71 3.772 10.913 -3.809 1.00 0.00 C ATOM 1072 O ARG A 71 3.388 11.983 -4.280 1.00 0.00 O ATOM 1073 CB ARG A 71 2.779 9.458 -2.043 1.00 0.00 C ATOM 1074 CG ARG A 71 1.449 8.834 -1.616 1.00 0.00 C ATOM 1075 CD ARG A 71 1.456 8.497 -0.123 1.00 0.00 C ATOM 1076 NE ARG A 71 0.156 8.859 0.483 1.00 0.00 N ATOM 1077 CZ ARG A 71 -0.063 8.933 1.803 1.00 0.00 C ATOM 1078 NH1 ARG A 71 0.931 8.672 2.663 1.00 0.00 N ATOM 1079 NH2 ARG A 71 -1.276 9.269 2.263 1.00 0.00 N ATOM 0 H ARG A 71 3.026 7.724 -3.835 1.00 0.00 H new ATOM 0 HA ARG A 71 1.775 10.099 -3.828 1.00 0.00 H new ATOM 0 HB2 ARG A 71 3.596 8.772 -1.817 1.00 0.00 H new ATOM 0 HB3 ARG A 71 2.959 10.367 -1.470 1.00 0.00 H new ATOM 0 HG2 ARG A 71 0.633 9.524 -1.833 1.00 0.00 H new ATOM 0 HG3 ARG A 71 1.265 7.930 -2.196 1.00 0.00 H new ATOM 0 HD2 ARG A 71 1.648 7.433 0.017 1.00 0.00 H new ATOM 0 HD3 ARG A 71 2.262 9.035 0.376 1.00 0.00 H new ATOM 0 HE ARG A 71 -0.622 9.065 -0.143 1.00 0.00 H new ATOM 0 HH11 ARG A 71 1.854 8.417 2.313 1.00 0.00 H new ATOM 0 HH12 ARG A 71 0.764 8.728 3.668 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -2.032 9.468 1.608 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -1.443 9.325 3.268 1.00 0.00 H new ATOM 1093 N LYS A 72 5.030 10.638 -3.500 1.00 0.00 N ATOM 1094 CA LYS A 72 6.083 11.619 -3.704 1.00 0.00 C ATOM 1095 C LYS A 72 5.697 12.927 -3.010 1.00 0.00 C ATOM 1096 O LYS A 72 5.148 13.829 -3.641 1.00 0.00 O ATOM 1097 CB LYS A 72 6.384 11.779 -5.195 1.00 0.00 C ATOM 1098 CG LYS A 72 7.562 10.896 -5.615 1.00 0.00 C ATOM 1099 CD LYS A 72 8.884 11.657 -5.503 1.00 0.00 C ATOM 1100 CE LYS A 72 9.649 11.626 -6.828 1.00 0.00 C ATOM 1101 NZ LYS A 72 11.042 12.086 -6.633 1.00 0.00 N ATOM 0 H LYS A 72 5.345 9.750 -3.110 1.00 0.00 H new ATOM 0 HA LYS A 72 7.014 11.279 -3.249 1.00 0.00 H new ATOM 0 HB2 LYS A 72 5.502 11.516 -5.778 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.611 12.822 -5.414 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.596 10.006 -4.987 1.00 0.00 H new ATOM 0 HG3 LYS A 72 7.419 10.557 -6.641 1.00 0.00 H new ATOM 0 HD2 LYS A 72 8.690 12.690 -5.215 1.00 0.00 H new ATOM 0 HD3 LYS A 72 9.496 11.217 -4.716 1.00 0.00 H new ATOM 0 HE2 LYS A 72 9.647 10.614 -7.232 1.00 0.00 H new ATOM 0 HE3 LYS A 72 9.149 12.262 -7.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 11.547 12.059 -7.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 11.038 13.060 -6.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 11.521 11.463 -5.952 1.00 0.00 H new ATOM 1115 N SER A 73 5.998 12.988 -1.722 1.00 0.00 N ATOM 1116 CA SER A 73 5.689 14.170 -0.936 1.00 0.00 C ATOM 1117 C SER A 73 6.547 14.196 0.331 1.00 0.00 C ATOM 1118 O SER A 73 6.078 13.837 1.410 1.00 0.00 O ATOM 1119 CB SER A 73 4.204 14.218 -0.572 1.00 0.00 C ATOM 1120 OG SER A 73 3.607 15.463 -0.924 1.00 0.00 O ATOM 0 H SER A 73 6.453 12.237 -1.202 1.00 0.00 H new ATOM 0 HA SER A 73 5.916 15.049 -1.539 1.00 0.00 H new ATOM 0 HB2 SER A 73 3.680 13.408 -1.080 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.088 14.050 0.499 1.00 0.00 H new ATOM 0 HG SER A 73 2.659 15.453 -0.677 1.00 0.00 H new ATOM 1126 N GLY A 74 7.789 14.624 0.158 1.00 0.00 N ATOM 1127 CA GLY A 74 8.716 14.701 1.273 1.00 0.00 C ATOM 1128 C GLY A 74 10.166 14.661 0.785 1.00 0.00 C ATOM 1129 O GLY A 74 10.698 13.590 0.498 1.00 0.00 O ATOM 0 H GLY A 74 8.175 14.921 -0.738 1.00 0.00 H new ATOM 0 HA2 GLY A 74 8.542 15.620 1.832 1.00 0.00 H new ATOM 0 HA3 GLY A 74 8.536 13.872 1.958 1.00 0.00 H new ATOM 1133 N PRO A 75 10.779 15.872 0.705 1.00 0.00 N ATOM 1134 CA PRO A 75 12.157 15.984 0.256 1.00 0.00 C ATOM 1135 C PRO A 75 13.128 15.526 1.347 1.00 0.00 C ATOM 1136 O PRO A 75 13.891 16.330 1.881 1.00 0.00 O ATOM 1137 CB PRO A 75 12.331 17.447 -0.117 1.00 0.00 C ATOM 1138 CG PRO A 75 11.196 18.190 0.569 1.00 0.00 C ATOM 1139 CD PRO A 75 10.180 17.161 1.037 1.00 0.00 C ATOM 0 HA PRO A 75 12.376 15.340 -0.596 1.00 0.00 H new ATOM 0 HB2 PRO A 75 13.300 17.822 0.214 1.00 0.00 H new ATOM 0 HB3 PRO A 75 12.289 17.582 -1.198 1.00 0.00 H new ATOM 0 HG2 PRO A 75 11.573 18.766 1.414 1.00 0.00 H new ATOM 0 HG3 PRO A 75 10.733 18.898 -0.118 1.00 0.00 H new ATOM 0 HD2 PRO A 75 9.993 17.247 2.107 1.00 0.00 H new ATOM 0 HD3 PRO A 75 9.222 17.294 0.535 1.00 0.00 H new ATOM 1147 N SER A 76 13.067 14.237 1.645 1.00 0.00 N ATOM 1148 CA SER A 76 13.931 13.663 2.662 1.00 0.00 C ATOM 1149 C SER A 76 14.586 12.385 2.132 1.00 0.00 C ATOM 1150 O SER A 76 14.003 11.679 1.311 1.00 0.00 O ATOM 1151 CB SER A 76 13.151 13.366 3.944 1.00 0.00 C ATOM 1152 OG SER A 76 12.090 12.442 3.722 1.00 0.00 O ATOM 0 H SER A 76 12.433 13.574 1.200 1.00 0.00 H new ATOM 0 HA SER A 76 14.707 14.390 2.901 1.00 0.00 H new ATOM 0 HB2 SER A 76 13.830 12.964 4.696 1.00 0.00 H new ATOM 0 HB3 SER A 76 12.745 14.295 4.344 1.00 0.00 H new ATOM 0 HG SER A 76 11.618 12.278 4.565 1.00 0.00 H new ATOM 1158 N SER A 77 15.789 12.128 2.624 1.00 0.00 N ATOM 1159 CA SER A 77 16.529 10.948 2.210 1.00 0.00 C ATOM 1160 C SER A 77 17.329 10.391 3.389 1.00 0.00 C ATOM 1161 O SER A 77 17.150 9.237 3.775 1.00 0.00 O ATOM 1162 CB SER A 77 17.462 11.265 1.039 1.00 0.00 C ATOM 1163 OG SER A 77 17.941 10.084 0.402 1.00 0.00 O ATOM 0 H SER A 77 16.269 12.716 3.305 1.00 0.00 H new ATOM 0 HA SER A 77 15.814 10.196 1.877 1.00 0.00 H new ATOM 0 HB2 SER A 77 16.933 11.880 0.311 1.00 0.00 H new ATOM 0 HB3 SER A 77 18.308 11.851 1.398 1.00 0.00 H new ATOM 0 HG SER A 77 18.531 10.329 -0.341 1.00 0.00 H new ATOM 1169 N GLY A 78 18.193 11.238 3.929 1.00 0.00 N ATOM 1170 CA GLY A 78 19.021 10.845 5.057 1.00 0.00 C ATOM 1171 C GLY A 78 20.417 10.426 4.593 1.00 0.00 C ATOM 1172 O GLY A 78 20.570 9.839 3.524 1.00 0.00 O ATOM 0 H GLY A 78 18.338 12.195 3.606 1.00 0.00 H new ATOM 0 HA2 GLY A 78 19.101 11.674 5.760 1.00 0.00 H new ATOM 0 HA3 GLY A 78 18.548 10.020 5.590 1.00 0.00 H new TER 1176 GLY A 78