USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 567 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 59 HIS : no HD1:sc= -0.636 K(o=-2.5,f=-4.9) USER MOD Set 1.2: A 63 GLN : amide:sc= -1.91 K(o=-2.5,f=-4.1!) USER MOD Set 2.1: A 2 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=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 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 9:sc= 0.951 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 16 LYS NZ :NH3+ -123:sc= -0.0252 (180deg=-0.253) USER MOD Single : A 20 ASN : amide:sc= -16.3! C(o=-16!,f=-16!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 164:sc=-0.00475 (180deg=-0.13) USER MOD Single : A 43 SER OG : rot 39:sc= 1.15 USER MOD Single : A 44 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00806) USER MOD Single : A 45 GLN : amide:sc=-0.00501 K(o=-0.005,f=-0.85) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -148:sc= 1.11 (180deg=0.542) USER MOD Single : A 54 GLN : amide:sc= -0.0738 K(o=-0.074,f=-1.9!) USER MOD Single : A 55 CYS SG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -0.146 X(o=-0.15,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -57:sc= 0.0294 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.697 10.293 13.101 1.00 0.00 N ATOM 2 CA GLY A 1 2.356 10.571 13.582 1.00 0.00 C ATOM 3 C GLY A 1 1.634 9.320 14.041 1.00 0.00 C ATOM 4 O GLY A 1 0.953 8.664 13.254 1.00 0.00 O ATOM 0 H1 GLY A 1 4.148 11.180 12.799 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.257 9.862 13.864 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.648 9.638 12.295 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.409 11.280 14.408 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.781 11.049 12.789 1.00 0.00 H new ATOM 8 N SER A 2 1.784 8.988 15.320 1.00 0.00 N ATOM 9 CA SER A 2 1.145 7.804 15.882 1.00 0.00 C ATOM 10 C SER A 2 -0.324 8.075 16.193 1.00 0.00 C ATOM 11 O SER A 2 -1.216 7.421 15.652 1.00 0.00 O ATOM 12 CB SER A 2 1.873 7.359 17.151 1.00 0.00 C ATOM 13 OG SER A 2 1.275 6.199 17.703 1.00 0.00 O ATOM 0 H SER A 2 2.342 9.522 15.986 1.00 0.00 H new ATOM 0 HA SER A 2 1.200 7.006 15.142 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.920 7.158 16.922 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.856 8.165 17.885 1.00 0.00 H new ATOM 0 HG SER A 2 1.760 5.934 18.512 1.00 0.00 H new ATOM 19 N SER A 3 -0.567 9.044 17.069 1.00 0.00 N ATOM 20 CA SER A 3 -1.927 9.401 17.457 1.00 0.00 C ATOM 21 C SER A 3 -2.185 10.887 17.226 1.00 0.00 C ATOM 22 O SER A 3 -1.485 11.742 17.767 1.00 0.00 O ATOM 23 CB SER A 3 -2.169 9.052 18.926 1.00 0.00 C ATOM 24 OG SER A 3 -2.094 7.652 19.137 1.00 0.00 O ATOM 0 H SER A 3 0.160 9.596 17.524 1.00 0.00 H new ATOM 0 HA SER A 3 -2.618 8.829 16.837 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.431 9.557 19.549 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.149 9.417 19.233 1.00 0.00 H new ATOM 0 HG SER A 3 -2.251 7.455 20.084 1.00 0.00 H new ATOM 30 N GLY A 4 -3.198 11.187 16.418 1.00 0.00 N ATOM 31 CA GLY A 4 -3.532 12.569 16.129 1.00 0.00 C ATOM 32 C GLY A 4 -4.768 12.698 15.261 1.00 0.00 C ATOM 33 O GLY A 4 -5.831 13.093 15.738 1.00 0.00 O ATOM 0 H GLY A 4 -3.793 10.497 15.959 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.692 13.104 17.065 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.689 13.046 15.629 1.00 0.00 H new ATOM 37 N SER A 5 -4.628 12.365 13.982 1.00 0.00 N ATOM 38 CA SER A 5 -5.741 12.450 13.043 1.00 0.00 C ATOM 39 C SER A 5 -6.373 13.838 13.075 1.00 0.00 C ATOM 40 O SER A 5 -7.596 13.975 13.089 1.00 0.00 O ATOM 41 CB SER A 5 -6.794 11.390 13.371 1.00 0.00 C ATOM 42 OG SER A 5 -7.539 11.037 12.218 1.00 0.00 O ATOM 0 H SER A 5 -3.755 12.034 13.572 1.00 0.00 H new ATOM 0 HA SER A 5 -5.354 12.269 12.040 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.308 10.504 13.779 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.467 11.767 14.141 1.00 0.00 H new ATOM 0 HG SER A 5 -8.204 10.357 12.454 1.00 0.00 H new ATOM 48 N SER A 6 -5.529 14.865 13.087 1.00 0.00 N ATOM 49 CA SER A 6 -6.004 16.244 13.121 1.00 0.00 C ATOM 50 C SER A 6 -4.982 17.186 12.491 1.00 0.00 C ATOM 51 O SER A 6 -3.829 16.815 12.275 1.00 0.00 O ATOM 52 CB SER A 6 -6.289 16.672 14.562 1.00 0.00 C ATOM 53 OG SER A 6 -7.125 17.815 14.598 1.00 0.00 O ATOM 0 H SER A 6 -4.514 14.769 13.074 1.00 0.00 H new ATOM 0 HA SER A 6 -6.927 16.299 12.544 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.765 15.853 15.101 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.351 16.888 15.073 1.00 0.00 H new ATOM 0 HG SER A 6 -7.294 18.068 15.530 1.00 0.00 H new ATOM 59 N GLY A 7 -5.415 18.409 12.199 1.00 0.00 N ATOM 60 CA GLY A 7 -4.527 19.386 11.597 1.00 0.00 C ATOM 61 C GLY A 7 -4.940 19.752 10.185 1.00 0.00 C ATOM 62 O GLY A 7 -4.098 19.865 9.294 1.00 0.00 O ATOM 0 H GLY A 7 -6.365 18.740 12.369 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.511 20.286 12.212 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.511 18.990 11.584 1.00 0.00 H new ATOM 66 N GLY A 8 -6.240 19.937 9.979 1.00 0.00 N ATOM 67 CA GLY A 8 -6.740 20.288 8.663 1.00 0.00 C ATOM 68 C GLY A 8 -6.973 19.073 7.787 1.00 0.00 C ATOM 69 O GLY A 8 -6.024 18.398 7.387 1.00 0.00 O ATOM 0 H GLY A 8 -6.956 19.850 10.700 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -7.674 20.840 8.768 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -6.029 20.954 8.174 1.00 0.00 H new ATOM 73 N ILE A 9 -8.237 18.793 7.491 1.00 0.00 N ATOM 74 CA ILE A 9 -8.591 17.650 6.658 1.00 0.00 C ATOM 75 C ILE A 9 -9.356 18.092 5.415 1.00 0.00 C ATOM 76 O ILE A 9 -9.321 17.425 4.381 1.00 0.00 O ATOM 77 CB ILE A 9 -9.442 16.629 7.435 1.00 0.00 C ATOM 78 CG1 ILE A 9 -9.902 15.504 6.506 1.00 0.00 C ATOM 79 CG2 ILE A 9 -10.639 17.316 8.076 1.00 0.00 C ATOM 80 CD1 ILE A 9 -10.174 14.201 7.224 1.00 0.00 C ATOM 0 H ILE A 9 -9.033 19.342 7.815 1.00 0.00 H new ATOM 0 HA ILE A 9 -7.656 17.177 6.357 1.00 0.00 H new ATOM 0 HB ILE A 9 -8.830 16.195 8.226 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -10.807 15.819 5.987 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -9.140 15.338 5.745 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -11.231 16.581 8.622 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -10.291 18.086 8.765 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -11.254 17.774 7.301 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -10.496 13.449 6.504 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -9.265 13.862 7.720 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -10.958 14.351 7.966 1.00 0.00 H new ATOM 92 N LYS A 10 -10.046 19.222 5.522 1.00 0.00 N ATOM 93 CA LYS A 10 -10.818 19.757 4.407 1.00 0.00 C ATOM 94 C LYS A 10 -10.044 19.629 3.099 1.00 0.00 C ATOM 95 O LYS A 10 -10.539 19.058 2.127 1.00 0.00 O ATOM 96 CB LYS A 10 -11.172 21.224 4.661 1.00 0.00 C ATOM 97 CG LYS A 10 -12.490 21.414 5.391 1.00 0.00 C ATOM 98 CD LYS A 10 -12.312 21.322 6.898 1.00 0.00 C ATOM 99 CE LYS A 10 -12.467 19.892 7.391 1.00 0.00 C ATOM 100 NZ LYS A 10 -13.898 19.493 7.494 1.00 0.00 N ATOM 0 H LYS A 10 -10.086 19.786 6.371 1.00 0.00 H new ATOM 0 HA LYS A 10 -11.737 19.178 4.323 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -10.374 21.686 5.243 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -11.216 21.749 3.707 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -12.913 22.385 5.132 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -13.202 20.657 5.061 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -11.326 21.698 7.173 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -13.045 21.960 7.392 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -11.949 19.215 6.711 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -11.991 19.790 8.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -13.961 18.512 7.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -14.387 20.123 8.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -14.347 19.565 6.559 1.00 0.00 H new ATOM 114 N ASP A 11 -8.828 20.163 3.082 1.00 0.00 N ATOM 115 CA ASP A 11 -7.984 20.107 1.894 1.00 0.00 C ATOM 116 C ASP A 11 -6.865 19.086 2.070 1.00 0.00 C ATOM 117 O ASP A 11 -5.735 19.440 2.406 1.00 0.00 O ATOM 118 CB ASP A 11 -7.392 21.485 1.597 1.00 0.00 C ATOM 119 CG ASP A 11 -8.415 22.442 1.017 1.00 0.00 C ATOM 120 OD1 ASP A 11 -8.806 22.254 -0.154 1.00 0.00 O ATOM 121 OD2 ASP A 11 -8.823 23.380 1.734 1.00 0.00 O ATOM 0 H ASP A 11 -8.404 20.640 3.878 1.00 0.00 H new ATOM 0 HA ASP A 11 -8.604 19.798 1.053 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -6.983 21.907 2.515 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -6.562 21.378 0.899 1.00 0.00 H new ATOM 126 N SER A 12 -7.187 17.816 1.843 1.00 0.00 N ATOM 127 CA SER A 12 -6.210 16.743 1.981 1.00 0.00 C ATOM 128 C SER A 12 -5.584 16.400 0.633 1.00 0.00 C ATOM 129 O SER A 12 -6.242 15.889 -0.274 1.00 0.00 O ATOM 130 CB SER A 12 -6.869 15.499 2.581 1.00 0.00 C ATOM 131 OG SER A 12 -7.692 14.849 1.628 1.00 0.00 O ATOM 0 H SER A 12 -8.117 17.506 1.563 1.00 0.00 H new ATOM 0 HA SER A 12 -5.422 17.087 2.650 1.00 0.00 H new ATOM 0 HB2 SER A 12 -6.101 14.810 2.933 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.465 15.782 3.449 1.00 0.00 H new ATOM 0 HG SER A 12 -7.551 15.251 0.745 1.00 0.00 H new ATOM 137 N PRO A 13 -4.282 16.689 0.496 1.00 0.00 N ATOM 138 CA PRO A 13 -3.537 16.421 -0.738 1.00 0.00 C ATOM 139 C PRO A 13 -3.332 14.929 -0.978 1.00 0.00 C ATOM 140 O PRO A 13 -2.916 14.196 -0.080 1.00 0.00 O ATOM 141 CB PRO A 13 -2.193 17.113 -0.498 1.00 0.00 C ATOM 142 CG PRO A 13 -2.044 17.151 0.984 1.00 0.00 C ATOM 143 CD PRO A 13 -3.435 17.300 1.535 1.00 0.00 C ATOM 0 HA PRO A 13 -4.066 16.781 -1.620 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -1.376 16.562 -0.964 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -2.184 18.117 -0.922 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -1.574 16.239 1.353 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -1.411 17.983 1.292 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -3.544 16.791 2.493 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -3.692 18.346 1.699 1.00 0.00 H new ATOM 151 N VAL A 14 -3.625 14.484 -2.196 1.00 0.00 N ATOM 152 CA VAL A 14 -3.471 13.080 -2.555 1.00 0.00 C ATOM 153 C VAL A 14 -2.018 12.751 -2.878 1.00 0.00 C ATOM 154 O VAL A 14 -1.731 12.040 -3.840 1.00 0.00 O ATOM 155 CB VAL A 14 -4.351 12.710 -3.764 1.00 0.00 C ATOM 156 CG1 VAL A 14 -3.867 13.425 -5.015 1.00 0.00 C ATOM 157 CG2 VAL A 14 -4.363 11.203 -3.972 1.00 0.00 C ATOM 0 H VAL A 14 -3.971 15.077 -2.951 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.789 12.496 -1.691 1.00 0.00 H new ATOM 0 HB VAL A 14 -5.372 13.034 -3.562 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -4.501 13.151 -5.859 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -3.915 14.503 -4.860 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.838 13.134 -5.225 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.989 10.959 -4.830 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -3.347 10.853 -4.153 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -4.761 10.716 -3.082 1.00 0.00 H new ATOM 167 N ASN A 15 -1.104 13.273 -2.066 1.00 0.00 N ATOM 168 CA ASN A 15 0.321 13.035 -2.265 1.00 0.00 C ATOM 169 C ASN A 15 0.636 11.543 -2.211 1.00 0.00 C ATOM 170 O ASN A 15 -0.190 10.738 -1.780 1.00 0.00 O ATOM 171 CB ASN A 15 1.136 13.778 -1.205 1.00 0.00 C ATOM 172 CG ASN A 15 1.471 15.197 -1.624 1.00 0.00 C ATOM 173 OD1 ASN A 15 0.707 15.841 -2.343 1.00 0.00 O ATOM 174 ND2 ASN A 15 2.619 15.691 -1.175 1.00 0.00 N ATOM 0 H ASN A 15 -1.325 13.863 -1.264 1.00 0.00 H new ATOM 0 HA ASN A 15 0.592 13.410 -3.252 1.00 0.00 H new ATOM 0 HB2 ASN A 15 0.576 13.801 -0.270 1.00 0.00 H new ATOM 0 HB3 ASN A 15 2.059 13.232 -1.011 1.00 0.00 H new ATOM 0 HD21 ASN A 15 2.898 16.640 -1.424 1.00 0.00 H new ATOM 0 HD22 ASN A 15 3.222 15.121 -0.581 1.00 0.00 H new ATOM 181 N LYS A 16 1.836 11.181 -2.650 1.00 0.00 N ATOM 182 CA LYS A 16 2.263 9.787 -2.650 1.00 0.00 C ATOM 183 C LYS A 16 3.013 9.447 -1.366 1.00 0.00 C ATOM 184 O LYS A 16 4.079 10.000 -1.092 1.00 0.00 O ATOM 185 CB LYS A 16 3.153 9.505 -3.863 1.00 0.00 C ATOM 186 CG LYS A 16 2.377 9.301 -5.152 1.00 0.00 C ATOM 187 CD LYS A 16 3.237 8.651 -6.224 1.00 0.00 C ATOM 188 CE LYS A 16 3.436 7.167 -5.954 1.00 0.00 C ATOM 189 NZ LYS A 16 2.177 6.395 -6.148 1.00 0.00 N ATOM 0 H LYS A 16 2.531 11.834 -3.011 1.00 0.00 H new ATOM 0 HA LYS A 16 1.373 9.161 -2.706 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.848 10.335 -3.994 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.752 8.616 -3.665 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.504 8.678 -4.957 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.009 10.262 -5.512 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.768 8.785 -7.199 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.206 9.148 -6.265 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.207 6.777 -6.618 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.794 7.028 -4.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.946 5.883 -5.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.402 7.048 -6.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.303 5.715 -6.924 1.00 0.00 H new ATOM 203 N VAL A 17 2.451 8.533 -0.582 1.00 0.00 N ATOM 204 CA VAL A 17 3.068 8.118 0.672 1.00 0.00 C ATOM 205 C VAL A 17 4.568 7.908 0.504 1.00 0.00 C ATOM 206 O VAL A 17 5.371 8.474 1.245 1.00 0.00 O ATOM 207 CB VAL A 17 2.436 6.818 1.205 1.00 0.00 C ATOM 208 CG1 VAL A 17 0.957 7.024 1.498 1.00 0.00 C ATOM 209 CG2 VAL A 17 2.638 5.682 0.214 1.00 0.00 C ATOM 0 H VAL A 17 1.569 8.066 -0.793 1.00 0.00 H new ATOM 0 HA VAL A 17 2.895 8.919 1.390 1.00 0.00 H new ATOM 0 HB VAL A 17 2.933 6.549 2.137 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.528 6.095 1.873 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.840 7.807 2.247 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.442 7.318 0.583 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.185 4.772 0.607 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.169 5.940 -0.736 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.705 5.519 0.060 1.00 0.00 H new ATOM 219 N GLU A 18 4.940 7.091 -0.477 1.00 0.00 N ATOM 220 CA GLU A 18 6.345 6.807 -0.743 1.00 0.00 C ATOM 221 C GLU A 18 6.547 6.365 -2.189 1.00 0.00 C ATOM 222 O GLU A 18 5.606 5.984 -2.886 1.00 0.00 O ATOM 223 CB GLU A 18 6.858 5.724 0.209 1.00 0.00 C ATOM 224 CG GLU A 18 7.533 6.277 1.453 1.00 0.00 C ATOM 225 CD GLU A 18 7.365 5.373 2.659 1.00 0.00 C ATOM 226 OE1 GLU A 18 6.463 4.511 2.633 1.00 0.00 O ATOM 227 OE2 GLU A 18 8.138 5.529 3.628 1.00 0.00 O ATOM 0 H GLU A 18 4.288 6.615 -1.100 1.00 0.00 H new ATOM 0 HA GLU A 18 6.912 7.724 -0.579 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.023 5.091 0.510 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.564 5.088 -0.325 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.595 6.417 1.254 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.119 7.260 1.680 1.00 0.00 H new ATOM 234 N PRO A 19 7.804 6.417 -2.653 1.00 0.00 N ATOM 235 CA PRO A 19 8.160 6.027 -4.021 1.00 0.00 C ATOM 236 C PRO A 19 8.035 4.524 -4.245 1.00 0.00 C ATOM 237 O PRO A 19 8.352 4.019 -5.321 1.00 0.00 O ATOM 238 CB PRO A 19 9.621 6.467 -4.147 1.00 0.00 C ATOM 239 CG PRO A 19 10.137 6.469 -2.749 1.00 0.00 C ATOM 240 CD PRO A 19 8.975 6.861 -1.879 1.00 0.00 C ATOM 0 HA PRO A 19 7.499 6.481 -4.760 1.00 0.00 H new ATOM 0 HB2 PRO A 19 10.188 5.782 -4.777 1.00 0.00 H new ATOM 0 HB3 PRO A 19 9.699 7.456 -4.600 1.00 0.00 H new ATOM 0 HG2 PRO A 19 10.517 5.486 -2.472 1.00 0.00 H new ATOM 0 HG3 PRO A 19 10.962 7.173 -2.639 1.00 0.00 H new ATOM 0 HD2 PRO A 19 9.021 6.375 -0.905 1.00 0.00 H new ATOM 0 HD3 PRO A 19 8.953 7.936 -1.698 1.00 0.00 H new ATOM 248 N ASN A 20 7.571 3.814 -3.222 1.00 0.00 N ATOM 249 CA ASN A 20 7.405 2.367 -3.308 1.00 0.00 C ATOM 250 C ASN A 20 6.072 2.011 -3.959 1.00 0.00 C ATOM 251 O ASN A 20 5.440 1.016 -3.601 1.00 0.00 O ATOM 252 CB ASN A 20 7.489 1.739 -1.916 1.00 0.00 C ATOM 253 CG ASN A 20 8.918 1.462 -1.492 1.00 0.00 C ATOM 254 OD1 ASN A 20 9.229 0.383 -0.987 1.00 0.00 O ATOM 255 ND2 ASN A 20 9.796 2.438 -1.696 1.00 0.00 N ATOM 0 H ASN A 20 7.303 4.217 -2.324 1.00 0.00 H new ATOM 0 HA ASN A 20 8.210 1.970 -3.927 1.00 0.00 H new ATOM 0 HB2 ASN A 20 7.020 2.405 -1.191 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.923 0.808 -1.906 1.00 0.00 H new ATOM 0 HD21 ASN A 20 10.772 2.309 -1.431 1.00 0.00 H new ATOM 0 HD22 ASN A 20 9.494 3.316 -2.118 1.00 0.00 H new ATOM 262 N ASP A 21 5.650 2.829 -4.917 1.00 0.00 N ATOM 263 CA ASP A 21 4.393 2.600 -5.620 1.00 0.00 C ATOM 264 C ASP A 21 4.352 1.196 -6.216 1.00 0.00 C ATOM 265 O ASP A 21 3.316 0.530 -6.195 1.00 0.00 O ATOM 266 CB ASP A 21 4.204 3.642 -6.724 1.00 0.00 C ATOM 267 CG ASP A 21 5.189 3.465 -7.862 1.00 0.00 C ATOM 268 OD1 ASP A 21 6.399 3.671 -7.636 1.00 0.00 O ATOM 269 OD2 ASP A 21 4.749 3.122 -8.980 1.00 0.00 O ATOM 0 H ASP A 21 6.160 3.657 -5.225 1.00 0.00 H new ATOM 0 HA ASP A 21 3.580 2.694 -4.900 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.188 3.575 -7.113 1.00 0.00 H new ATOM 0 HB3 ASP A 21 4.318 4.640 -6.301 1.00 0.00 H new ATOM 274 N THR A 22 5.486 0.752 -6.750 1.00 0.00 N ATOM 275 CA THR A 22 5.579 -0.571 -7.354 1.00 0.00 C ATOM 276 C THR A 22 4.738 -1.586 -6.589 1.00 0.00 C ATOM 277 O THR A 22 4.224 -2.544 -7.167 1.00 0.00 O ATOM 278 CB THR A 22 7.037 -1.064 -7.405 1.00 0.00 C ATOM 279 OG1 THR A 22 7.740 -0.407 -8.465 1.00 0.00 O ATOM 280 CG2 THR A 22 7.093 -2.570 -7.610 1.00 0.00 C ATOM 0 H THR A 22 6.352 1.290 -6.776 1.00 0.00 H new ATOM 0 HA THR A 22 5.198 -0.481 -8.371 1.00 0.00 H new ATOM 0 HB THR A 22 7.511 -0.825 -6.453 1.00 0.00 H new ATOM 0 HG1 THR A 22 8.667 -0.725 -8.489 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.133 -2.894 -7.643 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.583 -3.069 -6.786 1.00 0.00 H new ATOM 0 HG23 THR A 22 6.603 -2.828 -8.549 1.00 0.00 H new ATOM 288 N LEU A 23 4.600 -1.370 -5.285 1.00 0.00 N ATOM 289 CA LEU A 23 3.819 -2.266 -4.439 1.00 0.00 C ATOM 290 C LEU A 23 2.328 -2.118 -4.720 1.00 0.00 C ATOM 291 O LEU A 23 1.614 -3.109 -4.874 1.00 0.00 O ATOM 292 CB LEU A 23 4.103 -1.982 -2.963 1.00 0.00 C ATOM 293 CG LEU A 23 5.417 -2.538 -2.413 1.00 0.00 C ATOM 294 CD1 LEU A 23 6.566 -2.230 -3.361 1.00 0.00 C ATOM 295 CD2 LEU A 23 5.698 -1.972 -1.029 1.00 0.00 C ATOM 0 H LEU A 23 5.019 -0.582 -4.791 1.00 0.00 H new ATOM 0 HA LEU A 23 4.113 -3.290 -4.668 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.098 -0.902 -2.814 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.283 -2.389 -2.371 1.00 0.00 H new ATOM 0 HG LEU A 23 5.324 -3.621 -2.328 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.493 -2.633 -2.953 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.369 -2.685 -4.332 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.661 -1.151 -3.479 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.637 -2.379 -0.653 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.771 -0.886 -1.088 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.888 -2.245 -0.353 1.00 0.00 H new ATOM 307 N GLU A 24 1.864 -0.874 -4.787 1.00 0.00 N ATOM 308 CA GLU A 24 0.457 -0.597 -5.051 1.00 0.00 C ATOM 309 C GLU A 24 -0.098 -1.552 -6.104 1.00 0.00 C ATOM 310 O GLU A 24 -1.282 -1.888 -6.092 1.00 0.00 O ATOM 311 CB GLU A 24 0.277 0.850 -5.514 1.00 0.00 C ATOM 312 CG GLU A 24 -1.081 1.125 -6.138 1.00 0.00 C ATOM 313 CD GLU A 24 -1.102 0.858 -7.630 1.00 0.00 C ATOM 314 OE1 GLU A 24 -0.096 1.164 -8.303 1.00 0.00 O ATOM 315 OE2 GLU A 24 -2.126 0.342 -8.126 1.00 0.00 O ATOM 0 H GLU A 24 2.442 -0.043 -4.662 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.096 -0.746 -4.123 1.00 0.00 H new ATOM 0 HB2 GLU A 24 0.417 1.515 -4.662 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.056 1.090 -6.238 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -1.833 0.504 -5.651 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.357 2.163 -5.955 1.00 0.00 H new ATOM 322 N LYS A 25 0.767 -1.987 -7.014 1.00 0.00 N ATOM 323 CA LYS A 25 0.367 -2.904 -8.074 1.00 0.00 C ATOM 324 C LYS A 25 0.315 -4.339 -7.561 1.00 0.00 C ATOM 325 O LYS A 25 -0.758 -4.934 -7.457 1.00 0.00 O ATOM 326 CB LYS A 25 1.338 -2.807 -9.253 1.00 0.00 C ATOM 327 CG LYS A 25 0.695 -3.110 -10.596 1.00 0.00 C ATOM 328 CD LYS A 25 0.056 -1.870 -11.200 1.00 0.00 C ATOM 329 CE LYS A 25 -0.296 -2.083 -12.665 1.00 0.00 C ATOM 330 NZ LYS A 25 -0.964 -0.889 -13.253 1.00 0.00 N ATOM 0 H LYS A 25 1.751 -1.719 -7.038 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.631 -2.620 -8.409 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.763 -1.804 -9.281 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.164 -3.499 -9.091 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.447 -3.503 -11.280 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.060 -3.886 -10.472 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.845 -1.614 -10.642 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.739 -1.025 -11.108 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.610 -2.306 -13.228 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.951 -2.949 -12.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.188 -1.073 -14.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.842 -0.691 -12.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.329 -0.068 -13.186 1.00 0.00 H new ATOM 344 N VAL A 26 1.481 -4.891 -7.240 1.00 0.00 N ATOM 345 CA VAL A 26 1.568 -6.256 -6.735 1.00 0.00 C ATOM 346 C VAL A 26 0.495 -6.523 -5.686 1.00 0.00 C ATOM 347 O VAL A 26 -0.068 -7.616 -5.623 1.00 0.00 O ATOM 348 CB VAL A 26 2.952 -6.541 -6.122 1.00 0.00 C ATOM 349 CG1 VAL A 26 2.943 -6.258 -4.628 1.00 0.00 C ATOM 350 CG2 VAL A 26 3.372 -7.977 -6.399 1.00 0.00 C ATOM 0 H VAL A 26 2.379 -4.413 -7.321 1.00 0.00 H new ATOM 0 HA VAL A 26 1.413 -6.919 -7.586 1.00 0.00 H new ATOM 0 HB VAL A 26 3.680 -5.877 -6.588 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.929 -6.465 -4.213 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.690 -5.212 -4.457 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.204 -6.894 -4.142 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.352 -8.161 -5.959 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.644 -8.660 -5.961 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.421 -8.140 -7.476 1.00 0.00 H new ATOM 360 N PHE A 27 0.216 -5.517 -4.864 1.00 0.00 N ATOM 361 CA PHE A 27 -0.790 -5.643 -3.815 1.00 0.00 C ATOM 362 C PHE A 27 -2.103 -6.176 -4.383 1.00 0.00 C ATOM 363 O PHE A 27 -2.710 -7.088 -3.821 1.00 0.00 O ATOM 364 CB PHE A 27 -1.025 -4.291 -3.140 1.00 0.00 C ATOM 365 CG PHE A 27 -2.293 -4.235 -2.336 1.00 0.00 C ATOM 366 CD1 PHE A 27 -3.521 -4.101 -2.963 1.00 0.00 C ATOM 367 CD2 PHE A 27 -2.256 -4.316 -0.953 1.00 0.00 C ATOM 368 CE1 PHE A 27 -4.689 -4.048 -2.226 1.00 0.00 C ATOM 369 CE2 PHE A 27 -3.421 -4.264 -0.211 1.00 0.00 C ATOM 370 CZ PHE A 27 -4.639 -4.131 -0.848 1.00 0.00 C ATOM 0 H PHE A 27 0.672 -4.605 -4.904 1.00 0.00 H new ATOM 0 HA PHE A 27 -0.420 -6.352 -3.074 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.181 -4.068 -2.488 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.053 -3.513 -3.903 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -3.566 -4.037 -4.040 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -1.306 -4.421 -0.449 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -5.640 -3.942 -2.727 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -3.379 -4.327 0.866 1.00 0.00 H new ATOM 0 HZ PHE A 27 -5.551 -4.092 -0.270 1.00 0.00 H new ATOM 380 N VAL A 28 -2.535 -5.600 -5.500 1.00 0.00 N ATOM 381 CA VAL A 28 -3.775 -6.017 -6.144 1.00 0.00 C ATOM 382 C VAL A 28 -3.494 -6.809 -7.416 1.00 0.00 C ATOM 383 O VAL A 28 -4.409 -7.138 -8.170 1.00 0.00 O ATOM 384 CB VAL A 28 -4.661 -4.806 -6.492 1.00 0.00 C ATOM 385 CG1 VAL A 28 -3.885 -3.798 -7.326 1.00 0.00 C ATOM 386 CG2 VAL A 28 -5.918 -5.257 -7.220 1.00 0.00 C ATOM 0 H VAL A 28 -2.045 -4.844 -5.978 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.303 -6.652 -5.433 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.961 -4.319 -5.564 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.527 -2.950 -7.562 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.018 -3.451 -6.764 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.553 -4.270 -8.251 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.532 -4.388 -7.458 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.641 -5.769 -8.142 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.483 -5.937 -6.583 1.00 0.00 H new ATOM 396 N SER A 29 -2.221 -7.112 -7.649 1.00 0.00 N ATOM 397 CA SER A 29 -1.818 -7.864 -8.832 1.00 0.00 C ATOM 398 C SER A 29 -1.541 -9.322 -8.481 1.00 0.00 C ATOM 399 O SER A 29 -2.024 -10.236 -9.149 1.00 0.00 O ATOM 400 CB SER A 29 -0.574 -7.234 -9.463 1.00 0.00 C ATOM 401 OG SER A 29 -0.558 -7.432 -10.866 1.00 0.00 O ATOM 0 H SER A 29 -1.451 -6.848 -7.034 1.00 0.00 H new ATOM 0 HA SER A 29 -2.638 -7.831 -9.550 1.00 0.00 H new ATOM 0 HB2 SER A 29 -0.552 -6.167 -9.243 1.00 0.00 H new ATOM 0 HB3 SER A 29 0.322 -7.669 -9.021 1.00 0.00 H new ATOM 0 HG SER A 29 0.246 -7.019 -11.246 1.00 0.00 H new ATOM 407 N VAL A 30 -0.758 -9.533 -7.427 1.00 0.00 N ATOM 408 CA VAL A 30 -0.417 -10.879 -6.985 1.00 0.00 C ATOM 409 C VAL A 30 -1.105 -11.216 -5.667 1.00 0.00 C ATOM 410 O VAL A 30 -1.674 -12.297 -5.508 1.00 0.00 O ATOM 411 CB VAL A 30 1.105 -11.045 -6.813 1.00 0.00 C ATOM 412 CG1 VAL A 30 1.843 -10.477 -8.016 1.00 0.00 C ATOM 413 CG2 VAL A 30 1.572 -10.378 -5.528 1.00 0.00 C ATOM 0 H VAL A 30 -0.348 -8.788 -6.864 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.765 -11.563 -7.759 1.00 0.00 H new ATOM 0 HB VAL A 30 1.332 -12.109 -6.746 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.917 -10.603 -7.877 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.530 -11.004 -8.917 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.612 -9.417 -8.117 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.649 -10.505 -5.423 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.334 -9.315 -5.562 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.068 -10.835 -4.677 1.00 0.00 H new ATOM 423 N THR A 31 -1.050 -10.283 -4.721 1.00 0.00 N ATOM 424 CA THR A 31 -1.668 -10.481 -3.416 1.00 0.00 C ATOM 425 C THR A 31 -1.590 -9.213 -2.573 1.00 0.00 C ATOM 426 O THR A 31 -0.605 -8.477 -2.629 1.00 0.00 O ATOM 427 CB THR A 31 -0.999 -11.636 -2.647 1.00 0.00 C ATOM 428 OG1 THR A 31 -1.721 -11.904 -1.440 1.00 0.00 O ATOM 429 CG2 THR A 31 0.447 -11.300 -2.315 1.00 0.00 C ATOM 0 H THR A 31 -0.584 -9.383 -4.835 1.00 0.00 H new ATOM 0 HA THR A 31 -2.713 -10.731 -3.596 1.00 0.00 H new ATOM 0 HB THR A 31 -1.013 -12.522 -3.282 1.00 0.00 H new ATOM 0 HG1 THR A 31 -1.290 -12.641 -0.958 1.00 0.00 H new ATOM 0 HG21 THR A 31 0.898 -12.131 -1.772 1.00 0.00 H new ATOM 0 HG22 THR A 31 1.001 -11.126 -3.237 1.00 0.00 H new ATOM 0 HG23 THR A 31 0.479 -10.403 -1.697 1.00 0.00 H new ATOM 437 N LYS A 32 -2.635 -8.962 -1.792 1.00 0.00 N ATOM 438 CA LYS A 32 -2.686 -7.784 -0.935 1.00 0.00 C ATOM 439 C LYS A 32 -1.831 -7.981 0.312 1.00 0.00 C ATOM 440 O LYS A 32 -1.219 -7.037 0.813 1.00 0.00 O ATOM 441 CB LYS A 32 -4.131 -7.481 -0.533 1.00 0.00 C ATOM 442 CG LYS A 32 -5.080 -7.370 -1.714 1.00 0.00 C ATOM 443 CD LYS A 32 -6.459 -6.904 -1.279 1.00 0.00 C ATOM 444 CE LYS A 32 -7.204 -6.227 -2.419 1.00 0.00 C ATOM 445 NZ LYS A 32 -7.973 -7.206 -3.237 1.00 0.00 N ATOM 0 H LYS A 32 -3.459 -9.560 -1.735 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.288 -6.940 -1.498 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.486 -8.266 0.135 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.155 -6.548 0.030 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -4.673 -6.671 -2.445 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -5.161 -8.338 -2.209 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -7.036 -7.757 -0.921 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -6.363 -6.211 -0.443 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -7.885 -5.478 -2.014 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -6.493 -5.701 -3.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -8.467 -6.706 -4.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -7.321 -7.906 -3.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -8.669 -7.690 -2.635 1.00 0.00 H new ATOM 459 N TYR A 33 -1.792 -9.213 0.808 1.00 0.00 N ATOM 460 CA TYR A 33 -1.012 -9.534 1.998 1.00 0.00 C ATOM 461 C TYR A 33 0.230 -10.342 1.634 1.00 0.00 C ATOM 462 O TYR A 33 0.259 -11.568 1.747 1.00 0.00 O ATOM 463 CB TYR A 33 -1.867 -10.314 2.998 1.00 0.00 C ATOM 464 CG TYR A 33 -3.189 -9.650 3.312 1.00 0.00 C ATOM 465 CD1 TYR A 33 -3.249 -8.532 4.134 1.00 0.00 C ATOM 466 CD2 TYR A 33 -4.378 -10.142 2.787 1.00 0.00 C ATOM 467 CE1 TYR A 33 -4.454 -7.922 4.425 1.00 0.00 C ATOM 468 CE2 TYR A 33 -5.587 -9.538 3.071 1.00 0.00 C ATOM 469 CZ TYR A 33 -5.620 -8.429 3.890 1.00 0.00 C ATOM 470 OH TYR A 33 -6.824 -7.825 4.176 1.00 0.00 O ATOM 0 H TYR A 33 -2.291 -10.006 0.405 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.692 -8.598 2.456 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.056 -11.311 2.601 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -1.305 -10.440 3.923 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -2.337 -8.132 4.553 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -4.356 -11.011 2.146 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -4.483 -7.054 5.067 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -6.502 -9.932 2.654 1.00 0.00 H new ATOM 0 HH TYR A 33 -7.547 -8.304 3.720 1.00 0.00 H new ATOM 480 N PRO A 34 1.281 -9.640 1.187 1.00 0.00 N ATOM 481 CA PRO A 34 2.546 -10.270 0.798 1.00 0.00 C ATOM 482 C PRO A 34 3.306 -10.832 1.995 1.00 0.00 C ATOM 483 O PRO A 34 3.119 -10.384 3.127 1.00 0.00 O ATOM 484 CB PRO A 34 3.332 -9.123 0.157 1.00 0.00 C ATOM 485 CG PRO A 34 2.771 -7.888 0.774 1.00 0.00 C ATOM 486 CD PRO A 34 1.316 -8.176 1.027 1.00 0.00 C ATOM 0 HA PRO A 34 2.390 -11.121 0.135 1.00 0.00 H new ATOM 0 HB2 PRO A 34 4.400 -9.215 0.356 1.00 0.00 H new ATOM 0 HB3 PRO A 34 3.209 -9.115 -0.926 1.00 0.00 H new ATOM 0 HG2 PRO A 34 3.288 -7.646 1.702 1.00 0.00 H new ATOM 0 HG3 PRO A 34 2.890 -7.032 0.110 1.00 0.00 H new ATOM 0 HD2 PRO A 34 0.955 -7.665 1.920 1.00 0.00 H new ATOM 0 HD3 PRO A 34 0.691 -7.847 0.197 1.00 0.00 H new ATOM 494 N ASP A 35 4.163 -11.814 1.738 1.00 0.00 N ATOM 495 CA ASP A 35 4.952 -12.436 2.795 1.00 0.00 C ATOM 496 C ASP A 35 6.442 -12.186 2.579 1.00 0.00 C ATOM 497 O ASP A 35 6.851 -11.686 1.532 1.00 0.00 O ATOM 498 CB ASP A 35 4.677 -13.939 2.848 1.00 0.00 C ATOM 499 CG ASP A 35 4.866 -14.513 4.238 1.00 0.00 C ATOM 500 OD1 ASP A 35 4.144 -14.082 5.162 1.00 0.00 O ATOM 501 OD2 ASP A 35 5.735 -15.395 4.403 1.00 0.00 O ATOM 0 H ASP A 35 4.329 -12.196 0.807 1.00 0.00 H new ATOM 0 HA ASP A 35 4.660 -11.988 3.745 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.657 -14.131 2.514 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.342 -14.452 2.153 1.00 0.00 H new ATOM 506 N GLU A 36 7.246 -12.537 3.577 1.00 0.00 N ATOM 507 CA GLU A 36 8.690 -12.348 3.497 1.00 0.00 C ATOM 508 C GLU A 36 9.186 -12.551 2.068 1.00 0.00 C ATOM 509 O GLU A 36 9.967 -11.752 1.550 1.00 0.00 O ATOM 510 CB GLU A 36 9.407 -13.317 4.439 1.00 0.00 C ATOM 511 CG GLU A 36 9.607 -12.766 5.841 1.00 0.00 C ATOM 512 CD GLU A 36 8.445 -13.080 6.763 1.00 0.00 C ATOM 513 OE1 GLU A 36 8.247 -14.270 7.084 1.00 0.00 O ATOM 514 OE2 GLU A 36 7.735 -12.135 7.164 1.00 0.00 O ATOM 0 H GLU A 36 6.923 -12.954 4.450 1.00 0.00 H new ATOM 0 HA GLU A 36 8.914 -11.325 3.800 1.00 0.00 H new ATOM 0 HB2 GLU A 36 8.834 -14.242 4.500 1.00 0.00 H new ATOM 0 HB3 GLU A 36 10.379 -13.571 4.015 1.00 0.00 H new ATOM 0 HG2 GLU A 36 10.523 -13.180 6.263 1.00 0.00 H new ATOM 0 HG3 GLU A 36 9.741 -11.686 5.787 1.00 0.00 H new ATOM 521 N LYS A 37 8.727 -13.626 1.436 1.00 0.00 N ATOM 522 CA LYS A 37 9.122 -13.936 0.067 1.00 0.00 C ATOM 523 C LYS A 37 8.994 -12.707 -0.828 1.00 0.00 C ATOM 524 O LYS A 37 9.952 -12.306 -1.489 1.00 0.00 O ATOM 525 CB LYS A 37 8.264 -15.075 -0.488 1.00 0.00 C ATOM 526 CG LYS A 37 8.799 -16.457 -0.156 1.00 0.00 C ATOM 527 CD LYS A 37 7.803 -17.544 -0.522 1.00 0.00 C ATOM 528 CE LYS A 37 6.852 -17.838 0.627 1.00 0.00 C ATOM 529 NZ LYS A 37 5.526 -18.313 0.143 1.00 0.00 N ATOM 0 H LYS A 37 8.081 -14.298 1.850 1.00 0.00 H new ATOM 0 HA LYS A 37 10.166 -14.248 0.079 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.252 -14.982 -0.093 1.00 0.00 H new ATOM 0 HB3 LYS A 37 8.195 -14.972 -1.571 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.734 -16.624 -0.691 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.026 -16.514 0.909 1.00 0.00 H new ATOM 0 HD2 LYS A 37 7.232 -17.236 -1.398 1.00 0.00 H new ATOM 0 HD3 LYS A 37 8.339 -18.453 -0.794 1.00 0.00 H new ATOM 0 HE2 LYS A 37 7.292 -18.593 1.279 1.00 0.00 H new ATOM 0 HE3 LYS A 37 6.718 -16.938 1.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 4.907 -18.502 0.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 5.094 -17.583 -0.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 5.650 -19.186 -0.408 1.00 0.00 H new ATOM 543 N ARG A 38 7.806 -12.112 -0.842 1.00 0.00 N ATOM 544 CA ARG A 38 7.554 -10.928 -1.655 1.00 0.00 C ATOM 545 C ARG A 38 8.422 -9.760 -1.198 1.00 0.00 C ATOM 546 O ARG A 38 8.785 -8.894 -1.995 1.00 0.00 O ATOM 547 CB ARG A 38 6.076 -10.539 -1.583 1.00 0.00 C ATOM 548 CG ARG A 38 5.600 -9.729 -2.778 1.00 0.00 C ATOM 549 CD ARG A 38 5.071 -10.628 -3.884 1.00 0.00 C ATOM 550 NE ARG A 38 6.143 -11.347 -4.566 1.00 0.00 N ATOM 551 CZ ARG A 38 5.939 -12.390 -5.362 1.00 0.00 C ATOM 552 NH1 ARG A 38 4.708 -12.833 -5.577 1.00 0.00 N ATOM 553 NH2 ARG A 38 6.967 -12.992 -5.947 1.00 0.00 N ATOM 0 H ARG A 38 7.003 -12.430 -0.300 1.00 0.00 H new ATOM 0 HA ARG A 38 7.810 -11.166 -2.688 1.00 0.00 H new ATOM 0 HB2 ARG A 38 5.474 -11.444 -1.506 1.00 0.00 H new ATOM 0 HB3 ARG A 38 5.904 -9.964 -0.673 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.817 -9.039 -2.463 1.00 0.00 H new ATOM 0 HG3 ARG A 38 6.423 -9.125 -3.161 1.00 0.00 H new ATOM 0 HD2 ARG A 38 4.366 -11.344 -3.462 1.00 0.00 H new ATOM 0 HD3 ARG A 38 4.521 -10.027 -4.608 1.00 0.00 H new ATOM 0 HE ARG A 38 7.102 -11.031 -4.423 1.00 0.00 H new ATOM 0 HH11 ARG A 38 3.915 -12.372 -5.131 1.00 0.00 H new ATOM 0 HH12 ARG A 38 4.554 -13.634 -6.189 1.00 0.00 H new ATOM 0 HH21 ARG A 38 7.916 -12.654 -5.785 1.00 0.00 H new ATOM 0 HH22 ARG A 38 6.809 -13.793 -6.558 1.00 0.00 H new ATOM 567 N LEU A 39 8.750 -9.741 0.089 1.00 0.00 N ATOM 568 CA LEU A 39 9.575 -8.679 0.653 1.00 0.00 C ATOM 569 C LEU A 39 11.043 -8.880 0.292 1.00 0.00 C ATOM 570 O LEU A 39 11.804 -7.918 0.181 1.00 0.00 O ATOM 571 CB LEU A 39 9.414 -8.634 2.173 1.00 0.00 C ATOM 572 CG LEU A 39 8.124 -7.998 2.693 1.00 0.00 C ATOM 573 CD1 LEU A 39 8.182 -6.484 2.556 1.00 0.00 C ATOM 574 CD2 LEU A 39 6.918 -8.556 1.953 1.00 0.00 C ATOM 0 H LEU A 39 8.457 -10.449 0.762 1.00 0.00 H new ATOM 0 HA LEU A 39 9.242 -7.731 0.230 1.00 0.00 H new ATOM 0 HB2 LEU A 39 9.472 -9.653 2.555 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.259 -8.088 2.592 1.00 0.00 H new ATOM 0 HG LEU A 39 8.022 -8.243 3.750 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.256 -6.049 2.931 1.00 0.00 H new ATOM 0 HD12 LEU A 39 9.023 -6.098 3.132 1.00 0.00 H new ATOM 0 HD13 LEU A 39 8.309 -6.218 1.507 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.009 -8.092 2.336 1.00 0.00 H new ATOM 0 HD22 LEU A 39 7.013 -8.342 0.888 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.866 -9.634 2.103 1.00 0.00 H new ATOM 586 N LYS A 40 11.435 -10.136 0.106 1.00 0.00 N ATOM 587 CA LYS A 40 12.811 -10.464 -0.247 1.00 0.00 C ATOM 588 C LYS A 40 13.261 -9.677 -1.473 1.00 0.00 C ATOM 589 O LYS A 40 14.307 -9.030 -1.459 1.00 0.00 O ATOM 590 CB LYS A 40 12.947 -11.965 -0.512 1.00 0.00 C ATOM 591 CG LYS A 40 12.892 -12.813 0.746 1.00 0.00 C ATOM 592 CD LYS A 40 14.101 -12.573 1.634 1.00 0.00 C ATOM 593 CE LYS A 40 14.410 -13.787 2.496 1.00 0.00 C ATOM 594 NZ LYS A 40 14.998 -14.899 1.698 1.00 0.00 N ATOM 0 H LYS A 40 10.819 -10.944 0.194 1.00 0.00 H new ATOM 0 HA LYS A 40 13.450 -10.190 0.592 1.00 0.00 H new ATOM 0 HB2 LYS A 40 12.151 -12.280 -1.187 1.00 0.00 H new ATOM 0 HB3 LYS A 40 13.891 -12.151 -1.024 1.00 0.00 H new ATOM 0 HG2 LYS A 40 11.982 -12.585 1.300 1.00 0.00 H new ATOM 0 HG3 LYS A 40 12.843 -13.867 0.473 1.00 0.00 H new ATOM 0 HD2 LYS A 40 14.966 -12.335 1.015 1.00 0.00 H new ATOM 0 HD3 LYS A 40 13.919 -11.709 2.273 1.00 0.00 H new ATOM 0 HE2 LYS A 40 15.103 -13.503 3.288 1.00 0.00 H new ATOM 0 HE3 LYS A 40 13.496 -14.131 2.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 15.440 -15.590 2.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 14.249 -15.366 1.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 15.717 -14.519 1.050 1.00 0.00 H new ATOM 608 N GLY A 41 12.462 -9.736 -2.535 1.00 0.00 N ATOM 609 CA GLY A 41 12.795 -9.024 -3.754 1.00 0.00 C ATOM 610 C GLY A 41 12.682 -7.520 -3.596 1.00 0.00 C ATOM 611 O GLY A 41 13.666 -6.796 -3.757 1.00 0.00 O ATOM 0 H GLY A 41 11.590 -10.264 -2.572 1.00 0.00 H new ATOM 0 HA2 GLY A 41 13.811 -9.279 -4.054 1.00 0.00 H new ATOM 0 HA3 GLY A 41 12.134 -9.353 -4.556 1.00 0.00 H new ATOM 615 N LEU A 42 11.481 -7.049 -3.282 1.00 0.00 N ATOM 616 CA LEU A 42 11.242 -5.620 -3.104 1.00 0.00 C ATOM 617 C LEU A 42 12.358 -4.980 -2.283 1.00 0.00 C ATOM 618 O LEU A 42 12.769 -3.851 -2.551 1.00 0.00 O ATOM 619 CB LEU A 42 9.894 -5.390 -2.420 1.00 0.00 C ATOM 620 CG LEU A 42 8.654 -5.721 -3.251 1.00 0.00 C ATOM 621 CD1 LEU A 42 7.403 -5.674 -2.387 1.00 0.00 C ATOM 622 CD2 LEU A 42 8.529 -4.761 -4.426 1.00 0.00 C ATOM 0 H LEU A 42 10.657 -7.635 -3.145 1.00 0.00 H new ATOM 0 HA LEU A 42 11.227 -5.153 -4.089 1.00 0.00 H new ATOM 0 HB2 LEU A 42 9.865 -5.987 -1.508 1.00 0.00 H new ATOM 0 HB3 LEU A 42 9.836 -4.344 -2.118 1.00 0.00 H new ATOM 0 HG LEU A 42 8.762 -6.733 -3.642 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.531 -5.912 -2.996 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.491 -6.401 -1.579 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.289 -4.675 -1.966 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.641 -5.011 -5.007 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.444 -3.740 -4.054 1.00 0.00 H new ATOM 0 HD23 LEU A 42 9.412 -4.844 -5.059 1.00 0.00 H new ATOM 634 N SER A 43 12.844 -5.710 -1.285 1.00 0.00 N ATOM 635 CA SER A 43 13.911 -5.213 -0.424 1.00 0.00 C ATOM 636 C SER A 43 15.082 -4.695 -1.254 1.00 0.00 C ATOM 637 O SER A 43 15.695 -3.681 -0.920 1.00 0.00 O ATOM 638 CB SER A 43 14.390 -6.317 0.520 1.00 0.00 C ATOM 639 OG SER A 43 15.579 -5.936 1.189 1.00 0.00 O ATOM 0 H SER A 43 12.516 -6.647 -1.052 1.00 0.00 H new ATOM 0 HA SER A 43 13.513 -4.388 0.166 1.00 0.00 H new ATOM 0 HB2 SER A 43 13.612 -6.537 1.251 1.00 0.00 H new ATOM 0 HB3 SER A 43 14.565 -7.233 -0.045 1.00 0.00 H new ATOM 0 HG SER A 43 15.532 -4.986 1.423 1.00 0.00 H new ATOM 645 N LYS A 44 15.388 -5.400 -2.338 1.00 0.00 N ATOM 646 CA LYS A 44 16.484 -5.014 -3.219 1.00 0.00 C ATOM 647 C LYS A 44 16.001 -4.049 -4.297 1.00 0.00 C ATOM 648 O LYS A 44 16.657 -3.048 -4.584 1.00 0.00 O ATOM 649 CB LYS A 44 17.104 -6.253 -3.869 1.00 0.00 C ATOM 650 CG LYS A 44 18.491 -6.011 -4.437 1.00 0.00 C ATOM 651 CD LYS A 44 19.264 -7.310 -4.594 1.00 0.00 C ATOM 652 CE LYS A 44 20.551 -7.102 -5.377 1.00 0.00 C ATOM 653 NZ LYS A 44 21.505 -6.219 -4.652 1.00 0.00 N ATOM 0 H LYS A 44 14.892 -6.243 -2.628 1.00 0.00 H new ATOM 0 HA LYS A 44 17.241 -4.510 -2.617 1.00 0.00 H new ATOM 0 HB2 LYS A 44 17.157 -7.053 -3.130 1.00 0.00 H new ATOM 0 HB3 LYS A 44 16.449 -6.600 -4.668 1.00 0.00 H new ATOM 0 HG2 LYS A 44 18.408 -5.517 -5.405 1.00 0.00 H new ATOM 0 HG3 LYS A 44 19.041 -5.336 -3.781 1.00 0.00 H new ATOM 0 HD2 LYS A 44 19.497 -7.717 -3.610 1.00 0.00 H new ATOM 0 HD3 LYS A 44 18.642 -8.046 -5.104 1.00 0.00 H new ATOM 0 HE2 LYS A 44 21.021 -8.067 -5.566 1.00 0.00 H new ATOM 0 HE3 LYS A 44 20.319 -6.665 -6.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 22.383 -6.130 -5.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 21.079 -5.279 -4.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 21.721 -6.631 -3.722 1.00 0.00 H new ATOM 667 N GLN A 45 14.851 -4.356 -4.888 1.00 0.00 N ATOM 668 CA GLN A 45 14.281 -3.514 -5.933 1.00 0.00 C ATOM 669 C GLN A 45 14.230 -2.056 -5.490 1.00 0.00 C ATOM 670 O GLN A 45 14.686 -1.162 -6.205 1.00 0.00 O ATOM 671 CB GLN A 45 12.877 -3.999 -6.299 1.00 0.00 C ATOM 672 CG GLN A 45 12.273 -3.271 -7.489 1.00 0.00 C ATOM 673 CD GLN A 45 11.177 -4.070 -8.167 1.00 0.00 C ATOM 674 OE1 GLN A 45 10.665 -5.040 -7.608 1.00 0.00 O ATOM 675 NE2 GLN A 45 10.811 -3.665 -9.377 1.00 0.00 N ATOM 0 H GLN A 45 14.296 -5.181 -4.661 1.00 0.00 H new ATOM 0 HA GLN A 45 14.922 -3.585 -6.812 1.00 0.00 H new ATOM 0 HB2 GLN A 45 12.916 -5.066 -6.518 1.00 0.00 H new ATOM 0 HB3 GLN A 45 12.222 -3.874 -5.437 1.00 0.00 H new ATOM 0 HG2 GLN A 45 11.868 -2.315 -7.158 1.00 0.00 H new ATOM 0 HG3 GLN A 45 13.058 -3.052 -8.213 1.00 0.00 H new ATOM 0 HE21 GLN A 45 11.263 -2.855 -9.802 1.00 0.00 H new ATOM 0 HE22 GLN A 45 10.078 -4.163 -9.882 1.00 0.00 H new ATOM 684 N LEU A 46 13.671 -1.821 -4.308 1.00 0.00 N ATOM 685 CA LEU A 46 13.559 -0.470 -3.769 1.00 0.00 C ATOM 686 C LEU A 46 14.571 -0.245 -2.650 1.00 0.00 C ATOM 687 O LEU A 46 14.351 0.573 -1.757 1.00 0.00 O ATOM 688 CB LEU A 46 12.142 -0.224 -3.248 1.00 0.00 C ATOM 689 CG LEU A 46 11.011 -0.424 -4.258 1.00 0.00 C ATOM 690 CD1 LEU A 46 9.719 -0.793 -3.546 1.00 0.00 C ATOM 691 CD2 LEU A 46 10.820 0.829 -5.100 1.00 0.00 C ATOM 0 H LEU A 46 13.288 -2.549 -3.704 1.00 0.00 H new ATOM 0 HA LEU A 46 13.771 0.235 -4.573 1.00 0.00 H new ATOM 0 HB2 LEU A 46 11.967 -0.888 -2.401 1.00 0.00 H new ATOM 0 HB3 LEU A 46 12.088 0.797 -2.869 1.00 0.00 H new ATOM 0 HG LEU A 46 11.283 -1.245 -4.922 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.926 -0.931 -4.280 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.862 -1.718 -2.988 1.00 0.00 H new ATOM 0 HD13 LEU A 46 9.442 0.006 -2.858 1.00 0.00 H new ATOM 0 HD21 LEU A 46 10.011 0.668 -5.813 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.570 1.669 -4.451 1.00 0.00 H new ATOM 0 HD23 LEU A 46 11.741 1.049 -5.640 1.00 0.00 H new ATOM 703 N ASP A 47 15.680 -0.974 -2.707 1.00 0.00 N ATOM 704 CA ASP A 47 16.728 -0.851 -1.700 1.00 0.00 C ATOM 705 C ASP A 47 16.129 -0.583 -0.323 1.00 0.00 C ATOM 706 O ASP A 47 16.669 0.201 0.457 1.00 0.00 O ATOM 707 CB ASP A 47 17.697 0.271 -2.076 1.00 0.00 C ATOM 708 CG ASP A 47 18.517 -0.061 -3.308 1.00 0.00 C ATOM 709 OD1 ASP A 47 18.856 -1.249 -3.492 1.00 0.00 O ATOM 710 OD2 ASP A 47 18.821 0.867 -4.087 1.00 0.00 O ATOM 0 H ASP A 47 15.877 -1.656 -3.439 1.00 0.00 H new ATOM 0 HA ASP A 47 17.274 -1.794 -1.662 1.00 0.00 H new ATOM 0 HB2 ASP A 47 17.135 1.188 -2.253 1.00 0.00 H new ATOM 0 HB3 ASP A 47 18.367 0.464 -1.238 1.00 0.00 H new ATOM 715 N TRP A 48 15.011 -1.238 -0.032 1.00 0.00 N ATOM 716 CA TRP A 48 14.339 -1.069 1.251 1.00 0.00 C ATOM 717 C TRP A 48 14.539 -2.294 2.136 1.00 0.00 C ATOM 718 O TRP A 48 15.241 -3.233 1.762 1.00 0.00 O ATOM 719 CB TRP A 48 12.845 -0.817 1.038 1.00 0.00 C ATOM 720 CG TRP A 48 12.508 0.631 0.849 1.00 0.00 C ATOM 721 CD1 TRP A 48 13.359 1.627 0.465 1.00 0.00 C ATOM 722 CD2 TRP A 48 11.228 1.245 1.038 1.00 0.00 C ATOM 723 NE1 TRP A 48 12.686 2.824 0.404 1.00 0.00 N ATOM 724 CE2 TRP A 48 11.377 2.615 0.750 1.00 0.00 C ATOM 725 CE3 TRP A 48 9.971 0.769 1.421 1.00 0.00 C ATOM 726 CZ2 TRP A 48 10.316 3.513 0.834 1.00 0.00 C ATOM 727 CZ3 TRP A 48 8.919 1.661 1.504 1.00 0.00 C ATOM 728 CH2 TRP A 48 9.096 3.020 1.211 1.00 0.00 C ATOM 0 H TRP A 48 14.551 -1.891 -0.667 1.00 0.00 H new ATOM 0 HA TRP A 48 14.778 -0.206 1.752 1.00 0.00 H new ATOM 0 HB2 TRP A 48 12.510 -1.378 0.165 1.00 0.00 H new ATOM 0 HB3 TRP A 48 12.293 -1.202 1.895 1.00 0.00 H new ATOM 0 HD1 TRP A 48 14.407 1.494 0.242 1.00 0.00 H new ATOM 0 HE1 TRP A 48 13.095 3.722 0.144 1.00 0.00 H new ATOM 0 HE3 TRP A 48 9.825 -0.277 1.648 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 10.451 4.561 0.610 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 7.943 1.305 1.800 1.00 0.00 H new ATOM 0 HH2 TRP A 48 8.253 3.691 1.284 1.00 0.00 H new ATOM 739 N SER A 49 13.918 -2.278 3.311 1.00 0.00 N ATOM 740 CA SER A 49 14.032 -3.387 4.251 1.00 0.00 C ATOM 741 C SER A 49 12.721 -4.163 4.337 1.00 0.00 C ATOM 742 O SER A 49 11.646 -3.618 4.085 1.00 0.00 O ATOM 743 CB SER A 49 14.424 -2.871 5.637 1.00 0.00 C ATOM 744 OG SER A 49 15.831 -2.747 5.756 1.00 0.00 O ATOM 0 H SER A 49 13.331 -1.509 3.635 1.00 0.00 H new ATOM 0 HA SER A 49 14.809 -4.059 3.888 1.00 0.00 H new ATOM 0 HB2 SER A 49 13.954 -1.904 5.815 1.00 0.00 H new ATOM 0 HB3 SER A 49 14.050 -3.552 6.401 1.00 0.00 H new ATOM 0 HG SER A 49 16.056 -2.414 6.650 1.00 0.00 H new ATOM 750 N VAL A 50 12.819 -5.439 4.695 1.00 0.00 N ATOM 751 CA VAL A 50 11.642 -6.291 4.816 1.00 0.00 C ATOM 752 C VAL A 50 10.616 -5.681 5.765 1.00 0.00 C ATOM 753 O VAL A 50 9.411 -5.863 5.593 1.00 0.00 O ATOM 754 CB VAL A 50 12.017 -7.698 5.319 1.00 0.00 C ATOM 755 CG1 VAL A 50 12.775 -7.611 6.634 1.00 0.00 C ATOM 756 CG2 VAL A 50 10.772 -8.559 5.468 1.00 0.00 C ATOM 0 H VAL A 50 13.701 -5.906 4.906 1.00 0.00 H new ATOM 0 HA VAL A 50 11.207 -6.373 3.820 1.00 0.00 H new ATOM 0 HB VAL A 50 12.669 -8.166 4.582 1.00 0.00 H new ATOM 0 HG11 VAL A 50 13.031 -8.615 6.973 1.00 0.00 H new ATOM 0 HG12 VAL A 50 13.688 -7.033 6.490 1.00 0.00 H new ATOM 0 HG13 VAL A 50 12.150 -7.123 7.382 1.00 0.00 H new ATOM 0 HG21 VAL A 50 11.055 -9.550 5.824 1.00 0.00 H new ATOM 0 HG22 VAL A 50 10.093 -8.096 6.184 1.00 0.00 H new ATOM 0 HG23 VAL A 50 10.274 -8.649 4.502 1.00 0.00 H new ATOM 766 N ARG A 51 11.103 -4.955 6.766 1.00 0.00 N ATOM 767 CA ARG A 51 10.229 -4.318 7.743 1.00 0.00 C ATOM 768 C ARG A 51 9.709 -2.983 7.219 1.00 0.00 C ATOM 769 O ARG A 51 8.509 -2.713 7.257 1.00 0.00 O ATOM 770 CB ARG A 51 10.973 -4.105 9.063 1.00 0.00 C ATOM 771 CG ARG A 51 11.108 -5.368 9.897 1.00 0.00 C ATOM 772 CD ARG A 51 9.893 -5.582 10.785 1.00 0.00 C ATOM 773 NE ARG A 51 9.699 -6.990 11.118 1.00 0.00 N ATOM 774 CZ ARG A 51 9.110 -7.863 10.307 1.00 0.00 C ATOM 775 NH1 ARG A 51 8.660 -7.472 9.122 1.00 0.00 N ATOM 776 NH2 ARG A 51 8.970 -9.128 10.681 1.00 0.00 N ATOM 0 H ARG A 51 12.098 -4.793 6.921 1.00 0.00 H new ATOM 0 HA ARG A 51 9.378 -4.977 7.916 1.00 0.00 H new ATOM 0 HB2 ARG A 51 11.967 -3.712 8.850 1.00 0.00 H new ATOM 0 HB3 ARG A 51 10.449 -3.348 9.647 1.00 0.00 H new ATOM 0 HG2 ARG A 51 11.235 -6.228 9.239 1.00 0.00 H new ATOM 0 HG3 ARG A 51 12.004 -5.304 10.514 1.00 0.00 H new ATOM 0 HD2 ARG A 51 10.009 -5.005 11.703 1.00 0.00 H new ATOM 0 HD3 ARG A 51 9.004 -5.203 10.280 1.00 0.00 H new ATOM 0 HE ARG A 51 10.034 -7.322 12.022 1.00 0.00 H new ATOM 0 HH11 ARG A 51 8.766 -6.500 8.832 1.00 0.00 H new ATOM 0 HH12 ARG A 51 8.208 -8.143 8.501 1.00 0.00 H new ATOM 0 HH21 ARG A 51 9.314 -9.432 11.592 1.00 0.00 H new ATOM 0 HH22 ARG A 51 8.518 -9.797 10.058 1.00 0.00 H new ATOM 790 N LYS A 52 10.621 -2.150 6.729 1.00 0.00 N ATOM 791 CA LYS A 52 10.257 -0.843 6.195 1.00 0.00 C ATOM 792 C LYS A 52 9.143 -0.968 5.161 1.00 0.00 C ATOM 793 O LYS A 52 8.171 -0.213 5.188 1.00 0.00 O ATOM 794 CB LYS A 52 11.478 -0.167 5.566 1.00 0.00 C ATOM 795 CG LYS A 52 11.320 1.333 5.392 1.00 0.00 C ATOM 796 CD LYS A 52 12.512 1.939 4.670 1.00 0.00 C ATOM 797 CE LYS A 52 12.169 3.293 4.067 1.00 0.00 C ATOM 798 NZ LYS A 52 13.276 3.819 3.221 1.00 0.00 N ATOM 0 H LYS A 52 11.619 -2.357 6.691 1.00 0.00 H new ATOM 0 HA LYS A 52 9.895 -0.230 7.020 1.00 0.00 H new ATOM 0 HB2 LYS A 52 12.352 -0.362 6.188 1.00 0.00 H new ATOM 0 HB3 LYS A 52 11.672 -0.619 4.593 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.409 1.541 4.831 1.00 0.00 H new ATOM 0 HG3 LYS A 52 11.207 1.804 6.369 1.00 0.00 H new ATOM 0 HD2 LYS A 52 13.343 2.050 5.367 1.00 0.00 H new ATOM 0 HD3 LYS A 52 12.844 1.262 3.883 1.00 0.00 H new ATOM 0 HE2 LYS A 52 11.264 3.204 3.467 1.00 0.00 H new ATOM 0 HE3 LYS A 52 11.954 4.003 4.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 13.289 4.858 3.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 14.183 3.444 3.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 13.130 3.524 2.235 1.00 0.00 H new ATOM 812 N ILE A 53 9.291 -1.927 4.253 1.00 0.00 N ATOM 813 CA ILE A 53 8.295 -2.152 3.212 1.00 0.00 C ATOM 814 C ILE A 53 6.957 -2.568 3.812 1.00 0.00 C ATOM 815 O ILE A 53 5.914 -2.011 3.471 1.00 0.00 O ATOM 816 CB ILE A 53 8.757 -3.233 2.217 1.00 0.00 C ATOM 817 CG1 ILE A 53 10.093 -2.839 1.585 1.00 0.00 C ATOM 818 CG2 ILE A 53 7.700 -3.450 1.143 1.00 0.00 C ATOM 819 CD1 ILE A 53 10.822 -3.997 0.941 1.00 0.00 C ATOM 0 H ILE A 53 10.090 -2.560 4.217 1.00 0.00 H new ATOM 0 HA ILE A 53 8.174 -1.208 2.681 1.00 0.00 H new ATOM 0 HB ILE A 53 8.895 -4.169 2.758 1.00 0.00 H new ATOM 0 HG12 ILE A 53 9.917 -2.068 0.834 1.00 0.00 H new ATOM 0 HG13 ILE A 53 10.732 -2.399 2.350 1.00 0.00 H new ATOM 0 HG21 ILE A 53 8.040 -4.217 0.447 1.00 0.00 H new ATOM 0 HG22 ILE A 53 6.768 -3.771 1.609 1.00 0.00 H new ATOM 0 HG23 ILE A 53 7.533 -2.518 0.603 1.00 0.00 H new ATOM 0 HD11 ILE A 53 11.760 -3.644 0.514 1.00 0.00 H new ATOM 0 HD12 ILE A 53 11.029 -4.759 1.692 1.00 0.00 H new ATOM 0 HD13 ILE A 53 10.202 -4.424 0.152 1.00 0.00 H new ATOM 831 N GLN A 54 6.995 -3.548 4.709 1.00 0.00 N ATOM 832 CA GLN A 54 5.784 -4.037 5.358 1.00 0.00 C ATOM 833 C GLN A 54 4.881 -2.879 5.768 1.00 0.00 C ATOM 834 O GLN A 54 3.682 -2.885 5.488 1.00 0.00 O ATOM 835 CB GLN A 54 6.142 -4.880 6.583 1.00 0.00 C ATOM 836 CG GLN A 54 6.519 -6.314 6.247 1.00 0.00 C ATOM 837 CD GLN A 54 5.320 -7.241 6.220 1.00 0.00 C ATOM 838 OE1 GLN A 54 4.192 -6.824 6.485 1.00 0.00 O ATOM 839 NE2 GLN A 54 5.557 -8.507 5.897 1.00 0.00 N ATOM 0 H GLN A 54 7.851 -4.019 5.003 1.00 0.00 H new ATOM 0 HA GLN A 54 5.244 -4.659 4.644 1.00 0.00 H new ATOM 0 HB2 GLN A 54 6.973 -4.408 7.108 1.00 0.00 H new ATOM 0 HB3 GLN A 54 5.295 -4.887 7.269 1.00 0.00 H new ATOM 0 HG2 GLN A 54 7.014 -6.338 5.276 1.00 0.00 H new ATOM 0 HG3 GLN A 54 7.239 -6.678 6.980 1.00 0.00 H new ATOM 0 HE21 GLN A 54 6.508 -8.810 5.685 1.00 0.00 H new ATOM 0 HE22 GLN A 54 4.788 -9.177 5.861 1.00 0.00 H new ATOM 848 N CYS A 55 5.464 -1.888 6.434 1.00 0.00 N ATOM 849 CA CYS A 55 4.711 -0.723 6.885 1.00 0.00 C ATOM 850 C CYS A 55 3.942 -0.092 5.729 1.00 0.00 C ATOM 851 O CYS A 55 2.786 0.301 5.880 1.00 0.00 O ATOM 852 CB CYS A 55 5.652 0.307 7.511 1.00 0.00 C ATOM 853 SG CYS A 55 4.811 1.586 8.473 1.00 0.00 S ATOM 0 H CYS A 55 6.455 -1.868 6.673 1.00 0.00 H new ATOM 0 HA CYS A 55 3.994 -1.053 7.637 1.00 0.00 H new ATOM 0 HB2 CYS A 55 6.362 -0.210 8.156 1.00 0.00 H new ATOM 0 HB3 CYS A 55 6.230 0.784 6.719 1.00 0.00 H new ATOM 0 HG CYS A 55 5.690 2.408 8.964 1.00 0.00 H new ATOM 859 N TRP A 56 4.593 0.003 4.575 1.00 0.00 N ATOM 860 CA TRP A 56 3.971 0.589 3.393 1.00 0.00 C ATOM 861 C TRP A 56 2.692 -0.155 3.026 1.00 0.00 C ATOM 862 O TRP A 56 1.642 0.457 2.827 1.00 0.00 O ATOM 863 CB TRP A 56 4.946 0.565 2.214 1.00 0.00 C ATOM 864 CG TRP A 56 4.442 1.306 1.012 1.00 0.00 C ATOM 865 CD1 TRP A 56 4.780 2.573 0.629 1.00 0.00 C ATOM 866 CD2 TRP A 56 3.509 0.826 0.038 1.00 0.00 C ATOM 867 NE1 TRP A 56 4.113 2.909 -0.524 1.00 0.00 N ATOM 868 CE2 TRP A 56 3.328 1.854 -0.907 1.00 0.00 C ATOM 869 CE3 TRP A 56 2.811 -0.373 -0.128 1.00 0.00 C ATOM 870 CZ2 TRP A 56 2.477 1.718 -2.001 1.00 0.00 C ATOM 871 CZ3 TRP A 56 1.966 -0.507 -1.214 1.00 0.00 C ATOM 872 CH2 TRP A 56 1.806 0.533 -2.139 1.00 0.00 C ATOM 0 H TRP A 56 5.551 -0.318 4.433 1.00 0.00 H new ATOM 0 HA TRP A 56 3.714 1.623 3.622 1.00 0.00 H new ATOM 0 HB2 TRP A 56 5.895 0.999 2.528 1.00 0.00 H new ATOM 0 HB3 TRP A 56 5.145 -0.470 1.937 1.00 0.00 H new ATOM 0 HD1 TRP A 56 5.470 3.216 1.155 1.00 0.00 H new ATOM 0 HE1 TRP A 56 4.190 3.800 -1.015 1.00 0.00 H new ATOM 0 HE3 TRP A 56 2.929 -1.181 0.579 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 2.351 2.519 -2.715 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 1.420 -1.429 -1.352 1.00 0.00 H new ATOM 0 HH2 TRP A 56 1.140 0.397 -2.978 1.00 0.00 H new ATOM 883 N PHE A 57 2.785 -1.477 2.939 1.00 0.00 N ATOM 884 CA PHE A 57 1.635 -2.304 2.595 1.00 0.00 C ATOM 885 C PHE A 57 0.498 -2.097 3.592 1.00 0.00 C ATOM 886 O PHE A 57 -0.664 -1.970 3.207 1.00 0.00 O ATOM 887 CB PHE A 57 2.033 -3.781 2.559 1.00 0.00 C ATOM 888 CG PHE A 57 2.536 -4.234 1.218 1.00 0.00 C ATOM 889 CD1 PHE A 57 1.648 -4.580 0.211 1.00 0.00 C ATOM 890 CD2 PHE A 57 3.895 -4.313 0.963 1.00 0.00 C ATOM 891 CE1 PHE A 57 2.108 -4.997 -1.023 1.00 0.00 C ATOM 892 CE2 PHE A 57 4.361 -4.729 -0.270 1.00 0.00 C ATOM 893 CZ PHE A 57 3.466 -5.071 -1.264 1.00 0.00 C ATOM 0 H PHE A 57 3.646 -1.999 3.102 1.00 0.00 H new ATOM 0 HA PHE A 57 1.288 -2.004 1.606 1.00 0.00 H new ATOM 0 HB2 PHE A 57 2.806 -3.959 3.307 1.00 0.00 H new ATOM 0 HB3 PHE A 57 1.172 -4.388 2.839 1.00 0.00 H new ATOM 0 HD1 PHE A 57 0.585 -4.523 0.393 1.00 0.00 H new ATOM 0 HD2 PHE A 57 4.599 -4.046 1.737 1.00 0.00 H new ATOM 0 HE1 PHE A 57 1.406 -5.265 -1.799 1.00 0.00 H new ATOM 0 HE2 PHE A 57 5.423 -4.786 -0.456 1.00 0.00 H new ATOM 0 HZ PHE A 57 3.827 -5.396 -2.229 1.00 0.00 H new ATOM 903 N ARG A 58 0.844 -2.064 4.875 1.00 0.00 N ATOM 904 CA ARG A 58 -0.146 -1.874 5.928 1.00 0.00 C ATOM 905 C ARG A 58 -0.894 -0.557 5.740 1.00 0.00 C ATOM 906 O ARG A 58 -2.099 -0.476 5.979 1.00 0.00 O ATOM 907 CB ARG A 58 0.528 -1.898 7.301 1.00 0.00 C ATOM 908 CG ARG A 58 -0.368 -2.425 8.410 1.00 0.00 C ATOM 909 CD ARG A 58 -0.233 -3.932 8.567 1.00 0.00 C ATOM 910 NE ARG A 58 -1.047 -4.443 9.667 1.00 0.00 N ATOM 911 CZ ARG A 58 -0.794 -5.582 10.301 1.00 0.00 C ATOM 912 NH1 ARG A 58 0.246 -6.324 9.948 1.00 0.00 N ATOM 913 NH2 ARG A 58 -1.581 -5.980 11.292 1.00 0.00 N ATOM 0 H ARG A 58 1.802 -2.166 5.210 1.00 0.00 H new ATOM 0 HA ARG A 58 -0.864 -2.692 5.869 1.00 0.00 H new ATOM 0 HB2 ARG A 58 1.425 -2.515 7.246 1.00 0.00 H new ATOM 0 HB3 ARG A 58 0.851 -0.889 7.555 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -0.112 -1.936 9.350 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -1.406 -2.172 8.192 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -0.529 -4.421 7.639 1.00 0.00 H new ATOM 0 HD3 ARG A 58 0.813 -4.186 8.741 1.00 0.00 H new ATOM 0 HE ARG A 58 -1.854 -3.895 9.964 1.00 0.00 H new ATOM 0 HH11 ARG A 58 0.854 -6.021 9.188 1.00 0.00 H new ATOM 0 HH12 ARG A 58 0.438 -7.198 10.437 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -2.381 -5.411 11.568 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -1.386 -6.855 11.778 1.00 0.00 H new ATOM 927 N HIS A 59 -0.171 0.473 5.311 1.00 0.00 N ATOM 928 CA HIS A 59 -0.766 1.786 5.091 1.00 0.00 C ATOM 929 C HIS A 59 -1.669 1.774 3.862 1.00 0.00 C ATOM 930 O HIS A 59 -2.827 2.186 3.926 1.00 0.00 O ATOM 931 CB HIS A 59 0.327 2.843 4.925 1.00 0.00 C ATOM 932 CG HIS A 59 -0.090 4.210 5.373 1.00 0.00 C ATOM 933 ND1 HIS A 59 -0.108 5.304 4.534 1.00 0.00 N ATOM 934 CD2 HIS A 59 -0.506 4.657 6.581 1.00 0.00 C ATOM 935 CE1 HIS A 59 -0.516 6.365 5.206 1.00 0.00 C ATOM 936 NE2 HIS A 59 -0.765 5.999 6.451 1.00 0.00 N ATOM 0 H HIS A 59 0.828 0.423 5.109 1.00 0.00 H new ATOM 0 HA HIS A 59 -1.372 2.034 5.963 1.00 0.00 H new ATOM 0 HB2 HIS A 59 1.207 2.537 5.491 1.00 0.00 H new ATOM 0 HB3 HIS A 59 0.622 2.887 3.877 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -0.614 4.068 7.480 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -0.627 7.362 4.806 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -1.096 6.614 7.195 1.00 0.00 H new ATOM 945 N ARG A 60 -1.131 1.300 2.743 1.00 0.00 N ATOM 946 CA ARG A 60 -1.888 1.236 1.498 1.00 0.00 C ATOM 947 C ARG A 60 -3.347 0.877 1.767 1.00 0.00 C ATOM 948 O ARG A 60 -4.260 1.559 1.301 1.00 0.00 O ATOM 949 CB ARG A 60 -1.266 0.210 0.550 1.00 0.00 C ATOM 950 CG ARG A 60 -2.022 0.054 -0.760 1.00 0.00 C ATOM 951 CD ARG A 60 -1.609 1.112 -1.771 1.00 0.00 C ATOM 952 NE ARG A 60 -2.658 1.367 -2.755 1.00 0.00 N ATOM 953 CZ ARG A 60 -3.750 2.079 -2.497 1.00 0.00 C ATOM 954 NH1 ARG A 60 -3.935 2.603 -1.294 1.00 0.00 N ATOM 955 NH2 ARG A 60 -4.659 2.267 -3.445 1.00 0.00 N ATOM 0 H ARG A 60 -0.174 0.955 2.673 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.854 2.220 1.030 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.239 0.503 0.334 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -1.223 -0.757 1.052 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -1.836 -0.938 -1.173 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -3.094 0.126 -0.574 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -1.369 2.038 -1.249 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -0.702 0.790 -2.283 1.00 0.00 H new ATOM 0 HE ARG A 60 -2.546 0.977 -3.691 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -3.238 2.460 -0.563 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -4.774 3.149 -1.099 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -4.520 1.865 -4.372 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -5.497 2.814 -3.247 1.00 0.00 H new ATOM 969 N ARG A 61 -3.557 -0.197 2.521 1.00 0.00 N ATOM 970 CA ARG A 61 -4.904 -0.647 2.850 1.00 0.00 C ATOM 971 C ARG A 61 -5.778 0.525 3.285 1.00 0.00 C ATOM 972 O ARG A 61 -6.802 0.812 2.667 1.00 0.00 O ATOM 973 CB ARG A 61 -4.856 -1.701 3.958 1.00 0.00 C ATOM 974 CG ARG A 61 -4.426 -3.075 3.473 1.00 0.00 C ATOM 975 CD ARG A 61 -5.036 -4.181 4.320 1.00 0.00 C ATOM 976 NE ARG A 61 -6.483 -4.034 4.454 1.00 0.00 N ATOM 977 CZ ARG A 61 -7.347 -4.378 3.505 1.00 0.00 C ATOM 978 NH1 ARG A 61 -6.912 -4.888 2.361 1.00 0.00 N ATOM 979 NH2 ARG A 61 -8.649 -4.214 3.701 1.00 0.00 N ATOM 0 H ARG A 61 -2.812 -0.771 2.915 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.341 -1.090 1.955 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -4.168 -1.368 4.735 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -5.842 -1.779 4.417 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.725 -3.205 2.433 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.339 -3.149 3.504 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.810 -5.148 3.871 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -4.578 -4.174 5.309 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.850 -3.646 5.323 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.912 -5.017 2.208 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -7.577 -5.151 1.634 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -8.987 -3.824 4.581 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.312 -4.478 2.972 1.00 0.00 H new ATOM 993 N ASN A 62 -5.366 1.199 4.354 1.00 0.00 N ATOM 994 CA ASN A 62 -6.112 2.340 4.873 1.00 0.00 C ATOM 995 C ASN A 62 -6.692 3.174 3.735 1.00 0.00 C ATOM 996 O ASN A 62 -7.891 3.451 3.705 1.00 0.00 O ATOM 997 CB ASN A 62 -5.209 3.210 5.749 1.00 0.00 C ATOM 998 CG ASN A 62 -5.183 2.747 7.193 1.00 0.00 C ATOM 999 OD1 ASN A 62 -5.744 3.398 8.075 1.00 0.00 O ATOM 1000 ND2 ASN A 62 -4.531 1.618 7.441 1.00 0.00 N ATOM 0 H ASN A 62 -4.520 0.975 4.878 1.00 0.00 H new ATOM 0 HA ASN A 62 -6.936 1.960 5.477 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -4.196 3.196 5.348 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -5.554 4.243 5.708 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -4.480 1.257 8.394 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -4.081 1.111 6.679 1.00 0.00 H new ATOM 1007 N GLN A 63 -5.833 3.570 2.802 1.00 0.00 N ATOM 1008 CA GLN A 63 -6.261 4.372 1.662 1.00 0.00 C ATOM 1009 C GLN A 63 -7.390 3.683 0.904 1.00 0.00 C ATOM 1010 O GLN A 63 -8.418 4.294 0.610 1.00 0.00 O ATOM 1011 CB GLN A 63 -5.082 4.630 0.721 1.00 0.00 C ATOM 1012 CG GLN A 63 -4.295 5.884 1.062 1.00 0.00 C ATOM 1013 CD GLN A 63 -3.674 5.826 2.444 1.00 0.00 C ATOM 1014 OE1 GLN A 63 -4.376 5.700 3.448 1.00 0.00 O ATOM 1015 NE2 GLN A 63 -2.351 5.918 2.503 1.00 0.00 N ATOM 0 H GLN A 63 -4.837 3.349 2.813 1.00 0.00 H new ATOM 0 HA GLN A 63 -6.631 5.325 2.040 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -4.411 3.771 0.749 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -5.454 4.711 -0.300 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -3.509 6.028 0.321 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -4.954 6.750 1.000 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -1.808 6.021 1.646 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -1.877 5.885 3.406 1.00 0.00 H new ATOM 1024 N ASP A 64 -7.193 2.407 0.590 1.00 0.00 N ATOM 1025 CA ASP A 64 -8.195 1.633 -0.133 1.00 0.00 C ATOM 1026 C ASP A 64 -9.512 1.596 0.636 1.00 0.00 C ATOM 1027 O ASP A 64 -10.583 1.812 0.067 1.00 0.00 O ATOM 1028 CB ASP A 64 -7.693 0.210 -0.378 1.00 0.00 C ATOM 1029 CG ASP A 64 -8.461 -0.494 -1.479 1.00 0.00 C ATOM 1030 OD1 ASP A 64 -9.690 -0.661 -1.332 1.00 0.00 O ATOM 1031 OD2 ASP A 64 -7.833 -0.878 -2.489 1.00 0.00 O ATOM 0 H ASP A 64 -6.348 1.887 0.825 1.00 0.00 H new ATOM 0 HA ASP A 64 -8.369 2.118 -1.093 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -6.635 0.241 -0.640 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -7.776 -0.365 0.544 1.00 0.00 H new ATOM 1036 N LYS A 65 -9.426 1.320 1.933 1.00 0.00 N ATOM 1037 CA LYS A 65 -10.610 1.254 2.782 1.00 0.00 C ATOM 1038 C LYS A 65 -11.181 2.647 3.029 1.00 0.00 C ATOM 1039 O LYS A 65 -10.449 3.618 3.226 1.00 0.00 O ATOM 1040 CB LYS A 65 -10.270 0.586 4.116 1.00 0.00 C ATOM 1041 CG LYS A 65 -11.472 0.394 5.024 1.00 0.00 C ATOM 1042 CD LYS A 65 -11.052 -0.016 6.426 1.00 0.00 C ATOM 1043 CE LYS A 65 -12.258 -0.256 7.321 1.00 0.00 C ATOM 1044 NZ LYS A 65 -11.967 -1.252 8.389 1.00 0.00 N ATOM 0 H LYS A 65 -8.548 1.138 2.419 1.00 0.00 H new ATOM 0 HA LYS A 65 -11.363 0.658 2.266 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -9.814 -0.385 3.921 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -9.526 1.189 4.635 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -12.045 1.320 5.071 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -12.129 -0.367 4.603 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -10.449 -0.922 6.376 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -10.424 0.761 6.861 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -12.565 0.685 7.776 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -13.095 -0.606 6.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -12.814 -1.388 8.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -11.698 -2.158 7.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -11.185 -0.907 8.982 1.00 0.00 H new ATOM 1058 N PRO A 66 -12.518 2.750 3.020 1.00 0.00 N ATOM 1059 CA PRO A 66 -13.216 4.020 3.244 1.00 0.00 C ATOM 1060 C PRO A 66 -13.089 4.504 4.684 1.00 0.00 C ATOM 1061 O PRO A 66 -13.564 3.851 5.613 1.00 0.00 O ATOM 1062 CB PRO A 66 -14.673 3.686 2.918 1.00 0.00 C ATOM 1063 CG PRO A 66 -14.788 2.220 3.156 1.00 0.00 C ATOM 1064 CD PRO A 66 -13.452 1.635 2.792 1.00 0.00 C ATOM 0 HA PRO A 66 -12.803 4.825 2.636 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -15.359 4.245 3.554 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -14.916 3.940 1.886 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -15.034 2.012 4.197 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -15.582 1.787 2.548 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -13.208 0.773 3.413 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -13.430 1.298 1.756 1.00 0.00 H new ATOM 1072 N SER A 67 -12.447 5.654 4.863 1.00 0.00 N ATOM 1073 CA SER A 67 -12.256 6.225 6.191 1.00 0.00 C ATOM 1074 C SER A 67 -13.436 7.111 6.577 1.00 0.00 C ATOM 1075 O SER A 67 -13.664 8.158 5.973 1.00 0.00 O ATOM 1076 CB SER A 67 -10.959 7.034 6.240 1.00 0.00 C ATOM 1077 OG SER A 67 -10.640 7.407 7.570 1.00 0.00 O ATOM 0 H SER A 67 -12.050 6.209 4.105 1.00 0.00 H new ATOM 0 HA SER A 67 -12.191 5.405 6.906 1.00 0.00 H new ATOM 0 HB2 SER A 67 -10.144 6.446 5.819 1.00 0.00 H new ATOM 0 HB3 SER A 67 -11.060 7.927 5.623 1.00 0.00 H new ATOM 0 HG SER A 67 -9.806 7.922 7.574 1.00 0.00 H new ATOM 1083 N GLY A 68 -14.185 6.682 7.589 1.00 0.00 N ATOM 1084 CA GLY A 68 -15.333 7.447 8.039 1.00 0.00 C ATOM 1085 C GLY A 68 -16.478 6.562 8.490 1.00 0.00 C ATOM 1086 O GLY A 68 -16.695 5.472 7.960 1.00 0.00 O ATOM 0 H GLY A 68 -14.017 5.818 8.105 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -15.033 8.096 8.862 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -15.674 8.094 7.231 1.00 0.00 H new ATOM 1090 N PRO A 69 -17.234 7.032 9.494 1.00 0.00 N ATOM 1091 CA PRO A 69 -18.374 6.291 10.040 1.00 0.00 C ATOM 1092 C PRO A 69 -19.543 6.223 9.063 1.00 0.00 C ATOM 1093 O PRO A 69 -19.737 7.126 8.249 1.00 0.00 O ATOM 1094 CB PRO A 69 -18.762 7.100 11.281 1.00 0.00 C ATOM 1095 CG PRO A 69 -18.279 8.481 10.999 1.00 0.00 C ATOM 1096 CD PRO A 69 -17.032 8.323 10.173 1.00 0.00 C ATOM 0 HA PRO A 69 -18.120 5.253 10.253 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -19.840 7.083 11.444 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -18.298 6.694 12.180 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -19.033 9.056 10.461 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -18.069 9.018 11.924 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -16.917 9.139 9.459 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -16.137 8.314 10.795 1.00 0.00 H new ATOM 1104 N SER A 70 -20.319 5.147 9.149 1.00 0.00 N ATOM 1105 CA SER A 70 -21.466 4.960 8.269 1.00 0.00 C ATOM 1106 C SER A 70 -22.737 5.510 8.910 1.00 0.00 C ATOM 1107 O SER A 70 -23.797 4.887 8.848 1.00 0.00 O ATOM 1108 CB SER A 70 -21.648 3.477 7.942 1.00 0.00 C ATOM 1109 OG SER A 70 -22.439 3.304 6.779 1.00 0.00 O ATOM 0 H SER A 70 -20.174 4.392 9.819 1.00 0.00 H new ATOM 0 HA SER A 70 -21.278 5.508 7.346 1.00 0.00 H new ATOM 0 HB2 SER A 70 -20.673 3.012 7.795 1.00 0.00 H new ATOM 0 HB3 SER A 70 -22.119 2.971 8.785 1.00 0.00 H new ATOM 0 HG SER A 70 -23.307 3.742 6.905 1.00 0.00 H new ATOM 1115 N SER A 71 -22.622 6.683 9.525 1.00 0.00 N ATOM 1116 CA SER A 71 -23.759 7.317 10.181 1.00 0.00 C ATOM 1117 C SER A 71 -24.908 7.522 9.198 1.00 0.00 C ATOM 1118 O SER A 71 -24.694 7.889 8.043 1.00 0.00 O ATOM 1119 CB SER A 71 -23.344 8.660 10.784 1.00 0.00 C ATOM 1120 OG SER A 71 -22.726 9.487 9.812 1.00 0.00 O ATOM 0 H SER A 71 -21.753 7.213 9.582 1.00 0.00 H new ATOM 0 HA SER A 71 -24.099 6.658 10.980 1.00 0.00 H new ATOM 0 HB2 SER A 71 -24.220 9.165 11.192 1.00 0.00 H new ATOM 0 HB3 SER A 71 -22.657 8.493 11.614 1.00 0.00 H new ATOM 0 HG SER A 71 -22.472 10.340 10.222 1.00 0.00 H new ATOM 1126 N GLY A 72 -26.129 7.281 9.665 1.00 0.00 N ATOM 1127 CA GLY A 72 -27.295 7.444 8.816 1.00 0.00 C ATOM 1128 C GLY A 72 -28.593 7.211 9.562 1.00 0.00 C ATOM 1129 O GLY A 72 -28.744 6.208 10.261 1.00 0.00 O ATOM 0 H GLY A 72 -26.332 6.976 10.617 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -27.297 8.450 8.396 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -27.231 6.749 7.979 1.00 0.00 H new TER 1133 GLY A 72