USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 457 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 25 THR OG1 : rot -63:sc= 1.32 USER MOD Set 1.2: A 27 CYS SG : rot -73:sc= 0.138 USER MOD Set 2.1: A 22 THR OG1 : rot 86:sc= 1.23 USER MOD Set 2.2: A 32 SER OG : rot -80:sc= 1.13 USER MOD Set 3.1: A 12 SER OG : rot 180:sc= 0.695 USER MOD Set 3.2: A 15 GLN : amide:sc= -0.666 K(o=0.029,f=0.61) USER MOD Single : A 7 LYS NZ :NH3+ -169:sc=-0.00902 (180deg=-0.138) USER MOD Single : A 9 LYS NZ :NH3+ 160:sc= -0.051 (180deg=-0.411) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 59:sc= 1.25 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -120:sc= -0.0296 (180deg=-0.257) USER MOD Single : A 35 TYR OH : rot 30:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.542 X(o=-0.54,f=-0.67) USER MOD Single : A 39 ASN : amide:sc= -0.245! K(o=-0.24!,f=-1.3) USER MOD Single : A 40 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 42 ASN : amide:sc= 0.0645 K(o=0.064,f=-0.85) USER MOD Single : A 44 ASN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -1.28! K(o=-1.3!,f=0.24) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 162:sc= 1.21 (180deg=0.991) USER MOD Single : A 57 THR OG1 : rot -118:sc= 0.0304 USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.0559 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 6 13.687 -1.508 -11.557 1.00 0.00 N ATOM 2 CA ILE A 6 14.623 -2.467 -12.137 1.00 0.00 C ATOM 3 C ILE A 6 15.874 -1.768 -12.669 1.00 0.00 C ATOM 4 O ILE A 6 16.701 -2.394 -13.329 1.00 0.00 O ATOM 5 CB ILE A 6 13.929 -3.313 -13.213 1.00 0.00 C ATOM 6 CG1 ILE A 6 13.412 -2.429 -14.358 1.00 0.00 C ATOM 7 CG2 ILE A 6 12.787 -4.113 -12.576 1.00 0.00 C ATOM 8 CD1 ILE A 6 12.758 -3.259 -15.465 1.00 0.00 C ATOM 0 HA ILE A 6 14.954 -3.146 -11.351 1.00 0.00 H new ATOM 0 HB ILE A 6 14.652 -4.008 -13.640 1.00 0.00 H new ATOM 0 HG12 ILE A 6 12.690 -1.712 -13.966 1.00 0.00 H new ATOM 0 HG13 ILE A 6 14.239 -1.854 -14.775 1.00 0.00 H new ATOM 0 HG21 ILE A 6 12.294 -4.714 -13.340 1.00 0.00 H new ATOM 0 HG22 ILE A 6 13.189 -4.768 -11.802 1.00 0.00 H new ATOM 0 HG23 ILE A 6 12.066 -3.427 -12.132 1.00 0.00 H new ATOM 0 HD11 ILE A 6 12.405 -2.597 -16.256 1.00 0.00 H new ATOM 0 HD12 ILE A 6 13.487 -3.958 -15.875 1.00 0.00 H new ATOM 0 HD13 ILE A 6 11.915 -3.814 -15.054 1.00 0.00 H new ATOM 19 N LYS A 7 16.012 -0.468 -12.381 1.00 0.00 N ATOM 20 CA LYS A 7 17.162 0.332 -12.792 1.00 0.00 C ATOM 21 C LYS A 7 17.805 1.033 -11.593 1.00 0.00 C ATOM 22 O LYS A 7 18.705 1.854 -11.768 1.00 0.00 O ATOM 23 CB LYS A 7 16.744 1.338 -13.867 1.00 0.00 C ATOM 24 CG LYS A 7 16.201 0.621 -15.104 1.00 0.00 C ATOM 25 CD LYS A 7 15.856 1.642 -16.189 1.00 0.00 C ATOM 26 CE LYS A 7 15.263 0.951 -17.417 1.00 0.00 C ATOM 27 NZ LYS A 7 16.238 0.053 -18.065 1.00 0.00 N ATOM 0 H LYS A 7 15.319 0.059 -11.850 1.00 0.00 H new ATOM 0 HA LYS A 7 17.913 -0.333 -13.217 1.00 0.00 H new ATOM 0 HB2 LYS A 7 15.983 2.008 -13.467 1.00 0.00 H new ATOM 0 HB3 LYS A 7 17.598 1.955 -14.145 1.00 0.00 H new ATOM 0 HG2 LYS A 7 16.941 -0.085 -15.480 1.00 0.00 H new ATOM 0 HG3 LYS A 7 15.315 0.044 -14.841 1.00 0.00 H new ATOM 0 HD2 LYS A 7 15.145 2.370 -15.797 1.00 0.00 H new ATOM 0 HD3 LYS A 7 16.752 2.193 -16.474 1.00 0.00 H new ATOM 0 HE2 LYS A 7 14.383 0.380 -17.123 1.00 0.00 H new ATOM 0 HE3 LYS A 7 14.931 1.703 -18.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 15.869 -0.251 -18.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 17.138 0.557 -18.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 16.395 -0.781 -17.464 1.00 0.00 H new ATOM 41 N ARG A 8 17.346 0.716 -10.378 1.00 0.00 N ATOM 42 CA ARG A 8 17.858 1.304 -9.150 1.00 0.00 C ATOM 43 C ARG A 8 19.229 0.717 -8.812 1.00 0.00 C ATOM 44 O ARG A 8 19.519 -0.425 -9.172 1.00 0.00 O ATOM 45 CB ARG A 8 16.829 1.043 -8.047 1.00 0.00 C ATOM 46 CG ARG A 8 17.107 1.812 -6.757 1.00 0.00 C ATOM 47 CD ARG A 8 16.962 3.325 -6.934 1.00 0.00 C ATOM 48 NE ARG A 8 15.568 3.696 -7.211 1.00 0.00 N ATOM 49 CZ ARG A 8 15.184 4.838 -7.785 1.00 0.00 C ATOM 50 NH1 ARG A 8 16.073 5.754 -8.166 1.00 0.00 N ATOM 51 NH2 ARG A 8 13.888 5.062 -7.976 1.00 0.00 N ATOM 0 H ARG A 8 16.601 0.036 -10.225 1.00 0.00 H new ATOM 0 HA ARG A 8 18.001 2.379 -9.259 1.00 0.00 H new ATOM 0 HB2 ARG A 8 15.839 1.312 -8.414 1.00 0.00 H new ATOM 0 HB3 ARG A 8 16.808 -0.024 -7.827 1.00 0.00 H new ATOM 0 HG2 ARG A 8 16.421 1.473 -5.981 1.00 0.00 H new ATOM 0 HG3 ARG A 8 18.116 1.585 -6.413 1.00 0.00 H new ATOM 0 HD2 ARG A 8 17.304 3.834 -6.033 1.00 0.00 H new ATOM 0 HD3 ARG A 8 17.600 3.661 -7.752 1.00 0.00 H new ATOM 0 HE ARG A 8 14.840 3.032 -6.945 1.00 0.00 H new ATOM 0 HH11 ARG A 8 17.069 5.589 -8.021 1.00 0.00 H new ATOM 0 HH12 ARG A 8 15.758 6.620 -8.603 1.00 0.00 H new ATOM 0 HH21 ARG A 8 13.202 4.366 -7.685 1.00 0.00 H new ATOM 0 HH22 ARG A 8 13.580 5.930 -8.413 1.00 0.00 H new ATOM 65 N LYS A 9 20.070 1.494 -8.121 1.00 0.00 N ATOM 66 CA LYS A 9 21.409 1.076 -7.714 1.00 0.00 C ATOM 67 C LYS A 9 21.689 1.429 -6.254 1.00 0.00 C ATOM 68 O LYS A 9 22.838 1.440 -5.819 1.00 0.00 O ATOM 69 CB LYS A 9 22.473 1.634 -8.671 1.00 0.00 C ATOM 70 CG LYS A 9 22.749 3.139 -8.539 1.00 0.00 C ATOM 71 CD LYS A 9 21.544 4.010 -8.911 1.00 0.00 C ATOM 72 CE LYS A 9 21.936 5.490 -8.936 1.00 0.00 C ATOM 73 NZ LYS A 9 22.919 5.770 -10.000 1.00 0.00 N ATOM 0 H LYS A 9 19.834 2.442 -7.827 1.00 0.00 H new ATOM 0 HA LYS A 9 21.459 -0.011 -7.780 1.00 0.00 H new ATOM 0 HB2 LYS A 9 23.406 1.094 -8.506 1.00 0.00 H new ATOM 0 HB3 LYS A 9 22.162 1.427 -9.695 1.00 0.00 H new ATOM 0 HG2 LYS A 9 23.045 3.359 -7.513 1.00 0.00 H new ATOM 0 HG3 LYS A 9 23.592 3.404 -9.177 1.00 0.00 H new ATOM 0 HD2 LYS A 9 21.161 3.713 -9.887 1.00 0.00 H new ATOM 0 HD3 LYS A 9 20.740 3.853 -8.192 1.00 0.00 H new ATOM 0 HE2 LYS A 9 21.047 6.101 -9.091 1.00 0.00 H new ATOM 0 HE3 LYS A 9 22.353 5.774 -7.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 22.912 6.786 -10.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 23.868 5.491 -9.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 22.671 5.230 -10.853 1.00 0.00 H new ATOM 87 N ASP A 10 20.626 1.721 -5.504 1.00 0.00 N ATOM 88 CA ASP A 10 20.694 2.092 -4.100 1.00 0.00 C ATOM 89 C ASP A 10 19.509 1.488 -3.350 1.00 0.00 C ATOM 90 O ASP A 10 19.086 1.984 -2.307 1.00 0.00 O ATOM 91 CB ASP A 10 20.696 3.613 -4.002 1.00 0.00 C ATOM 92 CG ASP A 10 21.110 4.109 -2.617 1.00 0.00 C ATOM 93 OD1 ASP A 10 22.122 3.594 -2.091 1.00 0.00 O ATOM 94 OD2 ASP A 10 20.406 5.002 -2.093 1.00 0.00 O ATOM 0 H ASP A 10 19.674 1.704 -5.869 1.00 0.00 H new ATOM 0 HA ASP A 10 21.606 1.707 -3.644 1.00 0.00 H new ATOM 0 HB2 ASP A 10 21.377 4.021 -4.749 1.00 0.00 H new ATOM 0 HB3 ASP A 10 19.701 3.990 -4.237 1.00 0.00 H new ATOM 99 N ALA A 11 18.972 0.399 -3.908 1.00 0.00 N ATOM 100 CA ALA A 11 17.742 -0.217 -3.459 1.00 0.00 C ATOM 101 C ALA A 11 17.885 -0.893 -2.095 1.00 0.00 C ATOM 102 O ALA A 11 18.992 -1.109 -1.601 1.00 0.00 O ATOM 103 CB ALA A 11 17.317 -1.212 -4.533 1.00 0.00 C ATOM 0 H ALA A 11 19.398 -0.081 -4.701 1.00 0.00 H new ATOM 0 HA ALA A 11 16.980 0.550 -3.318 1.00 0.00 H new ATOM 0 HB1 ALA A 11 16.390 -1.699 -4.231 1.00 0.00 H new ATOM 0 HB2 ALA A 11 17.160 -0.686 -5.475 1.00 0.00 H new ATOM 0 HB3 ALA A 11 18.096 -1.963 -4.662 1.00 0.00 H new ATOM 109 N SER A 12 16.740 -1.225 -1.495 1.00 0.00 N ATOM 110 CA SER A 12 16.649 -1.859 -0.188 1.00 0.00 C ATOM 111 C SER A 12 15.422 -2.775 -0.185 1.00 0.00 C ATOM 112 O SER A 12 14.657 -2.764 -1.149 1.00 0.00 O ATOM 113 CB SER A 12 16.557 -0.766 0.880 1.00 0.00 C ATOM 114 OG SER A 12 15.213 -0.463 1.189 1.00 0.00 O ATOM 0 H SER A 12 15.829 -1.054 -1.920 1.00 0.00 H new ATOM 0 HA SER A 12 17.528 -2.466 0.030 1.00 0.00 H new ATOM 0 HB2 SER A 12 17.075 -1.091 1.782 1.00 0.00 H new ATOM 0 HB3 SER A 12 17.063 0.133 0.528 1.00 0.00 H new ATOM 0 HG SER A 12 15.185 0.237 1.874 1.00 0.00 H new ATOM 120 N PRO A 13 15.200 -3.571 0.866 1.00 0.00 N ATOM 121 CA PRO A 13 14.086 -4.504 0.913 1.00 0.00 C ATOM 122 C PRO A 13 12.777 -3.744 1.035 1.00 0.00 C ATOM 123 O PRO A 13 11.738 -4.192 0.556 1.00 0.00 O ATOM 124 CB PRO A 13 14.310 -5.316 2.186 1.00 0.00 C ATOM 125 CG PRO A 13 15.019 -4.305 3.088 1.00 0.00 C ATOM 126 CD PRO A 13 15.961 -3.626 2.099 1.00 0.00 C ATOM 0 HA PRO A 13 14.034 -5.124 0.018 1.00 0.00 H new ATOM 0 HB2 PRO A 13 13.372 -5.662 2.620 1.00 0.00 H new ATOM 0 HB3 PRO A 13 14.922 -6.200 2.004 1.00 0.00 H new ATOM 0 HG2 PRO A 13 14.322 -3.600 3.541 1.00 0.00 H new ATOM 0 HG3 PRO A 13 15.558 -4.789 3.902 1.00 0.00 H new ATOM 0 HD2 PRO A 13 16.244 -2.629 2.438 1.00 0.00 H new ATOM 0 HD3 PRO A 13 16.883 -4.193 1.973 1.00 0.00 H new ATOM 134 N GLU A 14 12.844 -2.585 1.686 1.00 0.00 N ATOM 135 CA GLU A 14 11.697 -1.723 1.855 1.00 0.00 C ATOM 136 C GLU A 14 11.459 -0.958 0.560 1.00 0.00 C ATOM 137 O GLU A 14 10.320 -0.680 0.210 1.00 0.00 O ATOM 138 CB GLU A 14 11.965 -0.760 3.006 1.00 0.00 C ATOM 139 CG GLU A 14 11.996 -1.472 4.359 1.00 0.00 C ATOM 140 CD GLU A 14 12.240 -0.491 5.502 1.00 0.00 C ATOM 141 OE1 GLU A 14 12.004 0.721 5.298 1.00 0.00 O ATOM 142 OE2 GLU A 14 12.667 -0.960 6.581 1.00 0.00 O ATOM 0 H GLU A 14 13.700 -2.225 2.108 1.00 0.00 H new ATOM 0 HA GLU A 14 10.808 -2.310 2.087 1.00 0.00 H new ATOM 0 HB2 GLU A 14 12.917 -0.255 2.841 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.194 0.010 3.020 1.00 0.00 H new ATOM 0 HG2 GLU A 14 11.051 -1.992 4.520 1.00 0.00 H new ATOM 0 HG3 GLU A 14 12.780 -2.230 4.355 1.00 0.00 H new ATOM 149 N GLN A 15 12.536 -0.617 -0.156 1.00 0.00 N ATOM 150 CA GLN A 15 12.433 0.132 -1.400 1.00 0.00 C ATOM 151 C GLN A 15 11.755 -0.697 -2.471 1.00 0.00 C ATOM 152 O GLN A 15 11.097 -0.158 -3.358 1.00 0.00 O ATOM 153 CB GLN A 15 13.842 0.520 -1.857 1.00 0.00 C ATOM 154 CG GLN A 15 13.929 2.034 -1.985 1.00 0.00 C ATOM 155 CD GLN A 15 13.469 2.675 -0.682 1.00 0.00 C ATOM 156 OE1 GLN A 15 12.749 3.669 -0.679 1.00 0.00 O ATOM 157 NE2 GLN A 15 13.892 2.097 0.439 1.00 0.00 N ATOM 0 H GLN A 15 13.492 -0.852 0.112 1.00 0.00 H new ATOM 0 HA GLN A 15 11.832 1.026 -1.233 1.00 0.00 H new ATOM 0 HB2 GLN A 15 14.581 0.161 -1.141 1.00 0.00 H new ATOM 0 HB3 GLN A 15 14.069 0.049 -2.813 1.00 0.00 H new ATOM 0 HG2 GLN A 15 14.953 2.334 -2.210 1.00 0.00 H new ATOM 0 HG3 GLN A 15 13.308 2.377 -2.812 1.00 0.00 H new ATOM 0 HE21 GLN A 15 14.490 1.272 0.393 1.00 0.00 H new ATOM 0 HE22 GLN A 15 13.619 2.479 1.344 1.00 0.00 H new ATOM 166 N GLU A 16 11.920 -2.011 -2.383 1.00 0.00 N ATOM 167 CA GLU A 16 11.343 -2.895 -3.379 1.00 0.00 C ATOM 168 C GLU A 16 9.829 -2.953 -3.236 1.00 0.00 C ATOM 169 O GLU A 16 9.125 -3.224 -4.209 1.00 0.00 O ATOM 170 CB GLU A 16 11.936 -4.295 -3.231 1.00 0.00 C ATOM 171 CG GLU A 16 13.382 -4.342 -3.727 1.00 0.00 C ATOM 172 CD GLU A 16 13.480 -4.386 -5.255 1.00 0.00 C ATOM 173 OE1 GLU A 16 12.463 -4.093 -5.923 1.00 0.00 O ATOM 174 OE2 GLU A 16 14.585 -4.713 -5.746 1.00 0.00 O ATOM 0 H GLU A 16 12.441 -2.480 -1.642 1.00 0.00 H new ATOM 0 HA GLU A 16 11.579 -2.505 -4.369 1.00 0.00 H new ATOM 0 HB2 GLU A 16 11.898 -4.599 -2.185 1.00 0.00 H new ATOM 0 HB3 GLU A 16 11.333 -5.009 -3.793 1.00 0.00 H new ATOM 0 HG2 GLU A 16 13.917 -3.467 -3.357 1.00 0.00 H new ATOM 0 HG3 GLU A 16 13.877 -5.219 -3.310 1.00 0.00 H new ATOM 181 N ALA A 17 9.327 -2.695 -2.028 1.00 0.00 N ATOM 182 CA ALA A 17 7.894 -2.655 -1.775 1.00 0.00 C ATOM 183 C ALA A 17 7.357 -1.221 -1.780 1.00 0.00 C ATOM 184 O ALA A 17 6.179 -1.010 -2.066 1.00 0.00 O ATOM 185 CB ALA A 17 7.612 -3.344 -0.443 1.00 0.00 C ATOM 0 H ALA A 17 9.901 -2.510 -1.205 1.00 0.00 H new ATOM 0 HA ALA A 17 7.377 -3.182 -2.577 1.00 0.00 H new ATOM 0 HB1 ALA A 17 6.541 -3.321 -0.241 1.00 0.00 H new ATOM 0 HB2 ALA A 17 7.950 -4.379 -0.490 1.00 0.00 H new ATOM 0 HB3 ALA A 17 8.143 -2.825 0.355 1.00 0.00 H new ATOM 191 N ILE A 18 8.201 -0.233 -1.468 1.00 0.00 N ATOM 192 CA ILE A 18 7.788 1.162 -1.388 1.00 0.00 C ATOM 193 C ILE A 18 7.697 1.789 -2.775 1.00 0.00 C ATOM 194 O ILE A 18 6.834 2.633 -3.002 1.00 0.00 O ATOM 195 CB ILE A 18 8.770 1.918 -0.478 1.00 0.00 C ATOM 196 CG1 ILE A 18 8.492 1.541 0.983 1.00 0.00 C ATOM 197 CG2 ILE A 18 8.655 3.433 -0.665 1.00 0.00 C ATOM 198 CD1 ILE A 18 9.612 2.006 1.915 1.00 0.00 C ATOM 0 H ILE A 18 9.189 -0.383 -1.265 1.00 0.00 H new ATOM 0 HA ILE A 18 6.789 1.225 -0.956 1.00 0.00 H new ATOM 0 HB ILE A 18 9.786 1.632 -0.749 1.00 0.00 H new ATOM 0 HG12 ILE A 18 7.548 1.986 1.299 1.00 0.00 H new ATOM 0 HG13 ILE A 18 8.378 0.460 1.064 1.00 0.00 H new ATOM 0 HG21 ILE A 18 9.363 3.936 -0.006 1.00 0.00 H new ATOM 0 HG22 ILE A 18 8.877 3.690 -1.701 1.00 0.00 H new ATOM 0 HG23 ILE A 18 7.642 3.754 -0.421 1.00 0.00 H new ATOM 0 HD11 ILE A 18 9.375 1.719 2.940 1.00 0.00 H new ATOM 0 HD12 ILE A 18 10.551 1.541 1.616 1.00 0.00 H new ATOM 0 HD13 ILE A 18 9.709 3.090 1.855 1.00 0.00 H new ATOM 210 N GLU A 19 8.564 1.393 -3.715 1.00 0.00 N ATOM 211 CA GLU A 19 8.518 1.992 -5.041 1.00 0.00 C ATOM 212 C GLU A 19 7.228 1.598 -5.759 1.00 0.00 C ATOM 213 O GLU A 19 6.655 2.415 -6.475 1.00 0.00 O ATOM 214 CB GLU A 19 9.736 1.568 -5.860 1.00 0.00 C ATOM 215 CG GLU A 19 10.997 2.291 -5.381 1.00 0.00 C ATOM 216 CD GLU A 19 12.211 1.874 -6.206 1.00 0.00 C ATOM 217 OE1 GLU A 19 12.462 0.652 -6.296 1.00 0.00 O ATOM 218 OE2 GLU A 19 12.884 2.782 -6.744 1.00 0.00 O ATOM 0 H GLU A 19 9.283 0.682 -3.583 1.00 0.00 H new ATOM 0 HA GLU A 19 8.536 3.076 -4.932 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.877 0.490 -5.778 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.565 1.788 -6.914 1.00 0.00 H new ATOM 0 HG2 GLU A 19 10.854 3.369 -5.457 1.00 0.00 H new ATOM 0 HG3 GLU A 19 11.173 2.066 -4.329 1.00 0.00 H new ATOM 225 N SER A 20 6.760 0.359 -5.577 1.00 0.00 N ATOM 226 CA SER A 20 5.558 -0.128 -6.227 1.00 0.00 C ATOM 227 C SER A 20 4.299 0.397 -5.539 1.00 0.00 C ATOM 228 O SER A 20 3.235 0.443 -6.151 1.00 0.00 O ATOM 229 CB SER A 20 5.582 -1.651 -6.165 1.00 0.00 C ATOM 230 OG SER A 20 6.707 -2.148 -6.861 1.00 0.00 O ATOM 0 H SER A 20 7.211 -0.328 -4.973 1.00 0.00 H new ATOM 0 HA SER A 20 5.536 0.223 -7.259 1.00 0.00 H new ATOM 0 HB2 SER A 20 5.613 -1.980 -5.126 1.00 0.00 H new ATOM 0 HB3 SER A 20 4.668 -2.055 -6.600 1.00 0.00 H new ATOM 0 HG SER A 20 6.715 -3.127 -6.814 1.00 0.00 H new ATOM 236 N PHE A 21 4.412 0.798 -4.268 1.00 0.00 N ATOM 237 CA PHE A 21 3.296 1.369 -3.534 1.00 0.00 C ATOM 238 C PHE A 21 3.049 2.792 -4.025 1.00 0.00 C ATOM 239 O PHE A 21 1.914 3.174 -4.306 1.00 0.00 O ATOM 240 CB PHE A 21 3.649 1.368 -2.047 1.00 0.00 C ATOM 241 CG PHE A 21 2.506 1.700 -1.108 1.00 0.00 C ATOM 242 CD1 PHE A 21 1.969 2.995 -1.080 1.00 0.00 C ATOM 243 CD2 PHE A 21 1.981 0.717 -0.253 1.00 0.00 C ATOM 244 CE1 PHE A 21 0.894 3.298 -0.233 1.00 0.00 C ATOM 245 CE2 PHE A 21 0.910 1.021 0.598 1.00 0.00 C ATOM 246 CZ PHE A 21 0.361 2.309 0.605 1.00 0.00 C ATOM 0 H PHE A 21 5.276 0.733 -3.730 1.00 0.00 H new ATOM 0 HA PHE A 21 2.389 0.785 -3.692 1.00 0.00 H new ATOM 0 HB2 PHE A 21 4.039 0.385 -1.784 1.00 0.00 H new ATOM 0 HB3 PHE A 21 4.453 2.085 -1.881 1.00 0.00 H new ATOM 0 HD1 PHE A 21 2.386 3.763 -1.714 1.00 0.00 H new ATOM 0 HD2 PHE A 21 2.404 -0.277 -0.251 1.00 0.00 H new ATOM 0 HE1 PHE A 21 0.476 4.294 -0.226 1.00 0.00 H new ATOM 0 HE2 PHE A 21 0.507 0.260 1.250 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.471 2.540 1.254 1.00 0.00 H new ATOM 256 N THR A 22 4.127 3.569 -4.130 1.00 0.00 N ATOM 257 CA THR A 22 4.090 4.953 -4.596 1.00 0.00 C ATOM 258 C THR A 22 3.877 5.014 -6.107 1.00 0.00 C ATOM 259 O THR A 22 3.709 6.094 -6.672 1.00 0.00 O ATOM 260 CB THR A 22 5.409 5.656 -4.265 1.00 0.00 C ATOM 261 OG1 THR A 22 5.958 5.168 -3.056 1.00 0.00 O ATOM 262 CG2 THR A 22 5.203 7.158 -4.085 1.00 0.00 C ATOM 0 H THR A 22 5.065 3.248 -3.890 1.00 0.00 H new ATOM 0 HA THR A 22 3.261 5.450 -4.092 1.00 0.00 H new ATOM 0 HB THR A 22 6.081 5.458 -5.100 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.499 4.372 -3.240 1.00 0.00 H new ATOM 0 HG21 THR A 22 6.157 7.631 -3.851 1.00 0.00 H new ATOM 0 HG22 THR A 22 4.804 7.583 -5.006 1.00 0.00 H new ATOM 0 HG23 THR A 22 4.501 7.334 -3.270 1.00 0.00 H new ATOM 270 N SER A 23 3.883 3.858 -6.775 1.00 0.00 N ATOM 271 CA SER A 23 3.622 3.794 -8.207 1.00 0.00 C ATOM 272 C SER A 23 2.136 3.600 -8.481 1.00 0.00 C ATOM 273 O SER A 23 1.669 3.860 -9.588 1.00 0.00 O ATOM 274 CB SER A 23 4.384 2.632 -8.828 1.00 0.00 C ATOM 275 OG SER A 23 5.773 2.887 -8.839 1.00 0.00 O ATOM 0 H SER A 23 4.067 2.953 -6.342 1.00 0.00 H new ATOM 0 HA SER A 23 3.951 4.736 -8.646 1.00 0.00 H new ATOM 0 HB2 SER A 23 4.182 1.719 -8.268 1.00 0.00 H new ATOM 0 HB3 SER A 23 4.033 2.465 -9.846 1.00 0.00 H new ATOM 0 HG SER A 23 6.086 3.032 -7.922 1.00 0.00 H new ATOM 281 N LEU A 24 1.397 3.138 -7.468 1.00 0.00 N ATOM 282 CA LEU A 24 -0.022 2.843 -7.579 1.00 0.00 C ATOM 283 C LEU A 24 -0.844 3.777 -6.698 1.00 0.00 C ATOM 284 O LEU A 24 -2.063 3.854 -6.842 1.00 0.00 O ATOM 285 CB LEU A 24 -0.245 1.387 -7.179 1.00 0.00 C ATOM 286 CG LEU A 24 0.380 0.406 -8.180 1.00 0.00 C ATOM 287 CD1 LEU A 24 0.208 -1.020 -7.664 1.00 0.00 C ATOM 288 CD2 LEU A 24 -0.284 0.508 -9.552 1.00 0.00 C ATOM 0 H LEU A 24 1.779 2.958 -6.539 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.348 2.998 -8.607 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.181 1.215 -6.191 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.315 1.193 -7.103 1.00 0.00 H new ATOM 0 HG LEU A 24 1.435 0.658 -8.282 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.651 -1.719 -8.373 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.703 -1.120 -6.698 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.853 -1.241 -7.552 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.183 -0.201 -10.236 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.345 0.278 -9.461 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.164 1.520 -9.940 1.00 0.00 H new ATOM 300 N THR A 25 -0.172 4.484 -5.788 1.00 0.00 N ATOM 301 CA THR A 25 -0.770 5.522 -4.972 1.00 0.00 C ATOM 302 C THR A 25 0.115 6.759 -5.080 1.00 0.00 C ATOM 303 O THR A 25 1.289 6.641 -5.422 1.00 0.00 O ATOM 304 CB THR A 25 -0.916 5.078 -3.514 1.00 0.00 C ATOM 305 OG1 THR A 25 0.359 4.911 -2.944 1.00 0.00 O ATOM 306 CG2 THR A 25 -1.693 3.768 -3.396 1.00 0.00 C ATOM 0 H THR A 25 0.821 4.343 -5.600 1.00 0.00 H new ATOM 0 HA THR A 25 -1.776 5.740 -5.329 1.00 0.00 H new ATOM 0 HB THR A 25 -1.472 5.852 -2.984 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.834 4.192 -3.410 1.00 0.00 H new ATOM 0 HG21 THR A 25 -1.775 3.487 -2.346 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.691 3.898 -3.816 1.00 0.00 H new ATOM 0 HG23 THR A 25 -1.169 2.984 -3.942 1.00 0.00 H new ATOM 314 N LYS A 26 -0.430 7.943 -4.799 1.00 0.00 N ATOM 315 CA LYS A 26 0.291 9.195 -5.007 1.00 0.00 C ATOM 316 C LYS A 26 0.645 9.879 -3.690 1.00 0.00 C ATOM 317 O LYS A 26 0.798 11.101 -3.645 1.00 0.00 O ATOM 318 CB LYS A 26 -0.475 10.098 -5.978 1.00 0.00 C ATOM 319 CG LYS A 26 -0.698 9.412 -7.335 1.00 0.00 C ATOM 320 CD LYS A 26 0.601 8.945 -8.003 1.00 0.00 C ATOM 321 CE LYS A 26 1.553 10.121 -8.232 1.00 0.00 C ATOM 322 NZ LYS A 26 2.803 9.675 -8.879 1.00 0.00 N ATOM 0 H LYS A 26 -1.372 8.059 -4.425 1.00 0.00 H new ATOM 0 HA LYS A 26 1.249 8.968 -5.474 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.438 10.366 -5.543 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.078 11.026 -6.126 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -1.355 8.554 -7.196 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.213 10.103 -8.003 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.087 8.196 -7.378 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.373 8.466 -8.955 1.00 0.00 H new ATOM 0 HE2 LYS A 26 1.066 10.872 -8.854 1.00 0.00 H new ATOM 0 HE3 LYS A 26 1.783 10.598 -7.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.430 10.492 -9.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.278 8.976 -8.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.583 9.242 -9.799 1.00 0.00 H new ATOM 336 N CYS A 27 0.777 9.098 -2.616 1.00 0.00 N ATOM 337 CA CYS A 27 1.254 9.602 -1.338 1.00 0.00 C ATOM 338 C CYS A 27 2.781 9.664 -1.364 1.00 0.00 C ATOM 339 O CYS A 27 3.404 9.274 -2.349 1.00 0.00 O ATOM 340 CB CYS A 27 0.743 8.702 -0.210 1.00 0.00 C ATOM 341 SG CYS A 27 1.432 7.036 -0.394 1.00 0.00 S ATOM 0 H CYS A 27 0.556 8.102 -2.613 1.00 0.00 H new ATOM 0 HA CYS A 27 0.874 10.608 -1.159 1.00 0.00 H new ATOM 0 HB2 CYS A 27 1.027 9.118 0.757 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -0.346 8.660 -0.231 1.00 0.00 H new ATOM 0 HG CYS A 27 0.859 6.437 -1.395 1.00 0.00 H new ATOM 347 N ASP A 28 3.397 10.153 -0.288 1.00 0.00 N ATOM 348 CA ASP A 28 4.843 10.194 -0.189 1.00 0.00 C ATOM 349 C ASP A 28 5.387 8.796 0.120 1.00 0.00 C ATOM 350 O ASP A 28 4.679 7.984 0.716 1.00 0.00 O ATOM 351 CB ASP A 28 5.220 11.172 0.919 1.00 0.00 C ATOM 352 CG ASP A 28 4.776 12.593 0.591 1.00 0.00 C ATOM 353 OD1 ASP A 28 5.484 13.250 -0.205 1.00 0.00 O ATOM 354 OD2 ASP A 28 3.733 13.015 1.137 1.00 0.00 O ATOM 0 H ASP A 28 2.909 10.526 0.526 1.00 0.00 H new ATOM 0 HA ASP A 28 5.277 10.523 -1.133 1.00 0.00 H new ATOM 0 HB2 ASP A 28 4.762 10.855 1.856 1.00 0.00 H new ATOM 0 HB3 ASP A 28 6.299 11.153 1.069 1.00 0.00 H new ATOM 359 N PRO A 29 6.635 8.496 -0.269 1.00 0.00 N ATOM 360 CA PRO A 29 7.264 7.209 -0.018 1.00 0.00 C ATOM 361 C PRO A 29 7.328 6.891 1.468 1.00 0.00 C ATOM 362 O PRO A 29 7.347 5.729 1.872 1.00 0.00 O ATOM 363 CB PRO A 29 8.693 7.370 -0.534 1.00 0.00 C ATOM 364 CG PRO A 29 8.551 8.420 -1.637 1.00 0.00 C ATOM 365 CD PRO A 29 7.533 9.364 -1.002 1.00 0.00 C ATOM 0 HA PRO A 29 6.704 6.406 -0.498 1.00 0.00 H new ATOM 0 HB2 PRO A 29 9.370 7.702 0.253 1.00 0.00 H new ATOM 0 HB3 PRO A 29 9.090 6.431 -0.921 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.495 8.918 -1.858 1.00 0.00 H new ATOM 0 HG3 PRO A 29 8.190 7.991 -2.572 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.018 10.082 -0.341 1.00 0.00 H new ATOM 0 HD3 PRO A 29 6.999 9.938 -1.759 1.00 0.00 H new ATOM 373 N LYS A 30 7.357 7.946 2.280 1.00 0.00 N ATOM 374 CA LYS A 30 7.488 7.816 3.716 1.00 0.00 C ATOM 375 C LYS A 30 6.191 7.304 4.341 1.00 0.00 C ATOM 376 O LYS A 30 6.195 6.848 5.484 1.00 0.00 O ATOM 377 CB LYS A 30 7.875 9.179 4.300 1.00 0.00 C ATOM 378 CG LYS A 30 9.380 9.362 4.415 1.00 0.00 C ATOM 379 CD LYS A 30 10.062 9.497 3.062 1.00 0.00 C ATOM 380 CE LYS A 30 9.643 10.787 2.350 1.00 0.00 C ATOM 381 NZ LYS A 30 10.443 11.009 1.130 1.00 0.00 N ATOM 0 H LYS A 30 7.290 8.910 1.954 1.00 0.00 H new ATOM 0 HA LYS A 30 8.265 7.087 3.944 1.00 0.00 H new ATOM 0 HB2 LYS A 30 7.464 9.969 3.671 1.00 0.00 H new ATOM 0 HB3 LYS A 30 7.423 9.289 5.286 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.589 10.249 5.012 1.00 0.00 H new ATOM 0 HG3 LYS A 30 9.805 8.512 4.948 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.144 9.489 3.196 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.811 8.638 2.439 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.586 10.735 2.090 1.00 0.00 H new ATOM 0 HE3 LYS A 30 9.763 11.634 3.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 10.137 11.890 0.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 11.449 11.082 1.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 10.308 10.211 0.476 1.00 0.00 H new ATOM 395 N VAL A 31 5.080 7.375 3.598 1.00 0.00 N ATOM 396 CA VAL A 31 3.792 6.864 4.055 1.00 0.00 C ATOM 397 C VAL A 31 3.638 5.411 3.614 1.00 0.00 C ATOM 398 O VAL A 31 2.923 4.639 4.253 1.00 0.00 O ATOM 399 CB VAL A 31 2.669 7.738 3.485 1.00 0.00 C ATOM 400 CG1 VAL A 31 1.299 7.217 3.912 1.00 0.00 C ATOM 401 CG2 VAL A 31 2.825 9.174 3.988 1.00 0.00 C ATOM 0 H VAL A 31 5.053 7.788 2.666 1.00 0.00 H new ATOM 0 HA VAL A 31 3.737 6.899 5.143 1.00 0.00 H new ATOM 0 HB VAL A 31 2.739 7.708 2.398 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.521 7.855 3.494 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.167 6.198 3.548 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.230 7.225 5.000 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.025 9.791 3.580 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.774 9.186 5.077 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.788 9.570 3.666 1.00 0.00 H new ATOM 411 N SER A 32 4.309 5.027 2.524 1.00 0.00 N ATOM 412 CA SER A 32 4.253 3.668 2.018 1.00 0.00 C ATOM 413 C SER A 32 4.883 2.705 3.015 1.00 0.00 C ATOM 414 O SER A 32 4.428 1.572 3.154 1.00 0.00 O ATOM 415 CB SER A 32 5.003 3.601 0.689 1.00 0.00 C ATOM 416 OG SER A 32 4.520 4.586 -0.200 1.00 0.00 O ATOM 0 H SER A 32 4.901 5.651 1.976 1.00 0.00 H new ATOM 0 HA SER A 32 3.212 3.381 1.871 1.00 0.00 H new ATOM 0 HB2 SER A 32 6.070 3.747 0.859 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.883 2.612 0.246 1.00 0.00 H new ATOM 0 HG SER A 32 3.685 4.277 -0.609 1.00 0.00 H new ATOM 422 N ARG A 33 5.930 3.155 3.719 1.00 0.00 N ATOM 423 CA ARG A 33 6.595 2.373 4.750 1.00 0.00 C ATOM 424 C ARG A 33 5.646 2.088 5.908 1.00 0.00 C ATOM 425 O ARG A 33 5.723 1.030 6.527 1.00 0.00 O ATOM 426 CB ARG A 33 7.813 3.173 5.229 1.00 0.00 C ATOM 427 CG ARG A 33 8.353 2.671 6.573 1.00 0.00 C ATOM 428 CD ARG A 33 9.617 3.442 6.955 1.00 0.00 C ATOM 429 NE ARG A 33 10.742 3.071 6.089 1.00 0.00 N ATOM 430 CZ ARG A 33 11.613 3.924 5.553 1.00 0.00 C ATOM 431 NH1 ARG A 33 11.519 5.234 5.765 1.00 0.00 N ATOM 432 NH2 ARG A 33 12.595 3.455 4.791 1.00 0.00 N ATOM 0 H ARG A 33 6.337 4.080 3.582 1.00 0.00 H new ATOM 0 HA ARG A 33 6.911 1.410 4.349 1.00 0.00 H new ATOM 0 HB2 ARG A 33 8.601 3.112 4.479 1.00 0.00 H new ATOM 0 HB3 ARG A 33 7.540 4.224 5.320 1.00 0.00 H new ATOM 0 HG2 ARG A 33 7.595 2.794 7.347 1.00 0.00 H new ATOM 0 HG3 ARG A 33 8.573 1.605 6.510 1.00 0.00 H new ATOM 0 HD2 ARG A 33 9.431 4.513 6.877 1.00 0.00 H new ATOM 0 HD3 ARG A 33 9.871 3.238 7.995 1.00 0.00 H new ATOM 0 HE ARG A 33 10.867 2.080 5.881 1.00 0.00 H new ATOM 0 HH11 ARG A 33 10.768 5.604 6.348 1.00 0.00 H new ATOM 0 HH12 ARG A 33 12.198 5.869 5.344 1.00 0.00 H new ATOM 0 HH21 ARG A 33 12.675 2.452 4.622 1.00 0.00 H new ATOM 0 HH22 ARG A 33 13.269 4.098 4.375 1.00 0.00 H new ATOM 446 N LYS A 34 4.749 3.033 6.202 1.00 0.00 N ATOM 447 CA LYS A 34 3.834 2.932 7.328 1.00 0.00 C ATOM 448 C LYS A 34 2.711 1.941 7.043 1.00 0.00 C ATOM 449 O LYS A 34 2.235 1.270 7.957 1.00 0.00 O ATOM 450 CB LYS A 34 3.253 4.325 7.582 1.00 0.00 C ATOM 451 CG LYS A 34 2.485 4.403 8.904 1.00 0.00 C ATOM 452 CD LYS A 34 1.717 5.726 8.954 1.00 0.00 C ATOM 453 CE LYS A 34 0.449 5.673 8.098 1.00 0.00 C ATOM 454 NZ LYS A 34 -0.537 4.725 8.652 1.00 0.00 N ATOM 0 H LYS A 34 4.641 3.890 5.660 1.00 0.00 H new ATOM 0 HA LYS A 34 4.371 2.569 8.204 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.061 5.057 7.590 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.588 4.594 6.762 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.795 3.563 8.989 1.00 0.00 H new ATOM 0 HG3 LYS A 34 3.175 4.336 9.745 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.451 5.954 9.986 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.360 6.534 8.604 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.006 6.667 8.039 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.707 5.378 7.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -0.737 3.983 7.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -0.154 4.291 9.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.416 5.232 8.880 1.00 0.00 H new ATOM 468 N TYR A 35 2.289 1.845 5.781 1.00 0.00 N ATOM 469 CA TYR A 35 1.244 0.919 5.360 1.00 0.00 C ATOM 470 C TYR A 35 1.836 -0.414 4.906 1.00 0.00 C ATOM 471 O TYR A 35 1.125 -1.251 4.365 1.00 0.00 O ATOM 472 CB TYR A 35 0.394 1.558 4.257 1.00 0.00 C ATOM 473 CG TYR A 35 -0.671 2.502 4.770 1.00 0.00 C ATOM 474 CD1 TYR A 35 -0.377 3.852 5.015 1.00 0.00 C ATOM 475 CD2 TYR A 35 -1.968 2.012 4.991 1.00 0.00 C ATOM 476 CE1 TYR A 35 -1.383 4.720 5.460 1.00 0.00 C ATOM 477 CE2 TYR A 35 -2.972 2.870 5.456 1.00 0.00 C ATOM 478 CZ TYR A 35 -2.685 4.228 5.693 1.00 0.00 C ATOM 479 OH TYR A 35 -3.660 5.059 6.155 1.00 0.00 O ATOM 0 H TYR A 35 2.666 2.411 5.021 1.00 0.00 H new ATOM 0 HA TYR A 35 0.600 0.709 6.214 1.00 0.00 H new ATOM 0 HB2 TYR A 35 1.049 2.101 3.576 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -0.084 0.768 3.677 1.00 0.00 H new ATOM 0 HD1 TYR A 35 0.626 4.222 4.860 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -2.191 0.972 4.802 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -1.162 5.764 5.624 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -3.967 2.490 5.633 1.00 0.00 H new ATOM 0 HH TYR A 35 -3.490 5.971 5.838 1.00 0.00 H new ATOM 489 N LEU A 36 3.134 -0.630 5.121 1.00 0.00 N ATOM 490 CA LEU A 36 3.754 -1.930 4.918 1.00 0.00 C ATOM 491 C LEU A 36 4.193 -2.489 6.268 1.00 0.00 C ATOM 492 O LEU A 36 4.559 -3.657 6.369 1.00 0.00 O ATOM 493 CB LEU A 36 4.935 -1.767 3.957 1.00 0.00 C ATOM 494 CG LEU A 36 4.476 -1.543 2.515 1.00 0.00 C ATOM 495 CD1 LEU A 36 5.636 -1.024 1.667 1.00 0.00 C ATOM 496 CD2 LEU A 36 3.990 -2.858 1.904 1.00 0.00 C ATOM 0 H LEU A 36 3.780 0.092 5.440 1.00 0.00 H new ATOM 0 HA LEU A 36 3.050 -2.635 4.476 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.549 -0.925 4.277 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.565 -2.656 4.003 1.00 0.00 H new ATOM 0 HG LEU A 36 3.665 -0.814 2.528 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.297 -0.868 0.643 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.993 -0.080 2.078 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.446 -1.753 1.674 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.666 -2.685 0.878 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.803 -3.584 1.910 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.154 -3.244 2.488 1.00 0.00 H new ATOM 508 N GLN A 37 4.152 -1.650 7.306 1.00 0.00 N ATOM 509 CA GLN A 37 4.592 -1.986 8.653 1.00 0.00 C ATOM 510 C GLN A 37 3.430 -2.516 9.487 1.00 0.00 C ATOM 511 O GLN A 37 3.568 -2.757 10.685 1.00 0.00 O ATOM 512 CB GLN A 37 5.240 -0.752 9.278 1.00 0.00 C ATOM 513 CG GLN A 37 6.743 -0.988 9.314 1.00 0.00 C ATOM 514 CD GLN A 37 7.539 0.304 9.366 1.00 0.00 C ATOM 515 OE1 GLN A 37 7.017 1.376 9.667 1.00 0.00 O ATOM 516 NE2 GLN A 37 8.825 0.197 9.063 1.00 0.00 N ATOM 0 H GLN A 37 3.802 -0.695 7.226 1.00 0.00 H new ATOM 0 HA GLN A 37 5.332 -2.785 8.617 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.006 0.139 8.696 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.855 -0.585 10.284 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.990 -1.597 10.183 1.00 0.00 H new ATOM 0 HG3 GLN A 37 7.038 -1.556 8.432 1.00 0.00 H new ATOM 0 HE21 GLN A 37 9.217 -0.712 8.819 1.00 0.00 H new ATOM 0 HE22 GLN A 37 9.422 1.024 9.074 1.00 0.00 H new ATOM 525 N ARG A 38 2.279 -2.696 8.830 1.00 0.00 N ATOM 526 CA ARG A 38 1.049 -3.168 9.439 1.00 0.00 C ATOM 527 C ARG A 38 0.374 -4.209 8.544 1.00 0.00 C ATOM 528 O ARG A 38 -0.761 -4.604 8.801 1.00 0.00 O ATOM 529 CB ARG A 38 0.154 -1.955 9.735 1.00 0.00 C ATOM 530 CG ARG A 38 -0.005 -1.029 8.529 1.00 0.00 C ATOM 531 CD ARG A 38 -0.769 0.234 8.922 1.00 0.00 C ATOM 532 NE ARG A 38 -2.183 -0.068 9.178 1.00 0.00 N ATOM 533 CZ ARG A 38 -2.772 -0.068 10.374 1.00 0.00 C ATOM 534 NH1 ARG A 38 -2.097 0.243 11.478 1.00 0.00 N ATOM 535 NH2 ARG A 38 -4.060 -0.386 10.467 1.00 0.00 N ATOM 0 H ARG A 38 2.184 -2.510 7.832 1.00 0.00 H new ATOM 0 HA ARG A 38 1.254 -3.673 10.383 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.829 -2.303 10.052 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.577 -1.392 10.567 1.00 0.00 H new ATOM 0 HG2 ARG A 38 0.976 -0.761 8.137 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -0.536 -1.549 7.731 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -0.320 0.673 9.813 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.689 0.975 8.126 1.00 0.00 H new ATOM 0 HE ARG A 38 -2.764 -0.297 8.372 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -1.109 0.488 11.419 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -2.568 0.236 12.383 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -4.588 -0.627 9.628 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -4.520 -0.389 11.377 1.00 0.00 H new ATOM 549 N ASN A 39 1.079 -4.648 7.491 1.00 0.00 N ATOM 550 CA ASN A 39 0.570 -5.588 6.506 1.00 0.00 C ATOM 551 C ASN A 39 1.649 -6.581 6.059 1.00 0.00 C ATOM 552 O ASN A 39 1.610 -7.065 4.930 1.00 0.00 O ATOM 553 CB ASN A 39 0.009 -4.810 5.318 1.00 0.00 C ATOM 554 CG ASN A 39 -1.068 -3.830 5.764 1.00 0.00 C ATOM 555 OD1 ASN A 39 -2.146 -4.220 6.201 1.00 0.00 O ATOM 556 ND2 ASN A 39 -0.759 -2.543 5.652 1.00 0.00 N ATOM 0 H ASN A 39 2.036 -4.348 7.305 1.00 0.00 H new ATOM 0 HA ASN A 39 -0.226 -6.178 6.961 1.00 0.00 H new ATOM 0 HB2 ASN A 39 0.814 -4.269 4.821 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -0.407 -5.505 4.588 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -1.432 -1.830 5.935 1.00 0.00 H new ATOM 0 HD22 ASN A 39 0.151 -2.267 5.283 1.00 0.00 H new ATOM 563 N HIS A 40 2.608 -6.885 6.939 1.00 0.00 N ATOM 564 CA HIS A 40 3.664 -7.858 6.679 1.00 0.00 C ATOM 565 C HIS A 40 4.491 -7.535 5.434 1.00 0.00 C ATOM 566 O HIS A 40 5.023 -8.434 4.788 1.00 0.00 O ATOM 567 CB HIS A 40 3.072 -9.269 6.654 1.00 0.00 C ATOM 568 CG HIS A 40 2.018 -9.466 7.705 1.00 0.00 C ATOM 569 ND1 HIS A 40 2.204 -9.303 9.080 1.00 0.00 N ATOM 570 CD2 HIS A 40 0.718 -9.814 7.464 1.00 0.00 C ATOM 571 CE1 HIS A 40 1.005 -9.547 9.631 1.00 0.00 C ATOM 572 NE2 HIS A 40 0.098 -9.864 8.690 1.00 0.00 N ATOM 0 H HIS A 40 2.670 -6.455 7.862 1.00 0.00 H new ATOM 0 HA HIS A 40 4.380 -7.803 7.499 1.00 0.00 H new ATOM 0 HB2 HIS A 40 2.642 -9.462 5.671 1.00 0.00 H new ATOM 0 HB3 HIS A 40 3.869 -9.997 6.802 1.00 0.00 H new ATOM 0 HD2 HIS A 40 0.268 -10.010 6.502 1.00 0.00 H new ATOM 0 HE1 HIS A 40 0.796 -9.496 10.689 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -0.880 -10.100 8.857 1.00 0.00 H new ATOM 580 N TRP A 41 4.591 -6.243 5.099 1.00 0.00 N ATOM 581 CA TRP A 41 5.329 -5.754 3.945 1.00 0.00 C ATOM 582 C TRP A 41 4.907 -6.390 2.619 1.00 0.00 C ATOM 583 O TRP A 41 5.701 -6.449 1.679 1.00 0.00 O ATOM 584 CB TRP A 41 6.836 -5.778 4.221 1.00 0.00 C ATOM 585 CG TRP A 41 7.271 -4.735 5.190 1.00 0.00 C ATOM 586 CD1 TRP A 41 7.238 -4.814 6.534 1.00 0.00 C ATOM 587 CD2 TRP A 41 7.800 -3.415 4.889 1.00 0.00 C ATOM 588 NE1 TRP A 41 7.651 -3.613 7.080 1.00 0.00 N ATOM 589 CE2 TRP A 41 7.952 -2.688 6.098 1.00 0.00 C ATOM 590 CE3 TRP A 41 8.115 -2.766 3.688 1.00 0.00 C ATOM 591 CZ2 TRP A 41 8.336 -1.338 6.109 1.00 0.00 C ATOM 592 CZ3 TRP A 41 8.540 -1.428 3.684 1.00 0.00 C ATOM 593 CH2 TRP A 41 8.643 -0.714 4.890 1.00 0.00 C ATOM 0 H TRP A 41 4.149 -5.499 5.639 1.00 0.00 H new ATOM 0 HA TRP A 41 5.056 -4.709 3.799 1.00 0.00 H new ATOM 0 HB2 TRP A 41 7.113 -6.760 4.605 1.00 0.00 H new ATOM 0 HB3 TRP A 41 7.373 -5.640 3.283 1.00 0.00 H new ATOM 0 HD1 TRP A 41 6.935 -5.683 7.099 1.00 0.00 H new ATOM 0 HE1 TRP A 41 7.724 -3.432 8.081 1.00 0.00 H new ATOM 0 HE3 TRP A 41 8.030 -3.301 2.754 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 8.394 -0.790 7.038 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 8.789 -0.945 2.750 1.00 0.00 H new ATOM 0 HH2 TRP A 41 8.960 0.319 4.879 1.00 0.00 H new ATOM 604 N ASN A 42 3.662 -6.866 2.531 1.00 0.00 N ATOM 605 CA ASN A 42 3.093 -7.324 1.277 1.00 0.00 C ATOM 606 C ASN A 42 2.352 -6.172 0.616 1.00 0.00 C ATOM 607 O ASN A 42 1.514 -5.534 1.249 1.00 0.00 O ATOM 608 CB ASN A 42 2.113 -8.471 1.533 1.00 0.00 C ATOM 609 CG ASN A 42 2.810 -9.818 1.648 1.00 0.00 C ATOM 610 OD1 ASN A 42 4.023 -9.902 1.811 1.00 0.00 O ATOM 611 ND2 ASN A 42 2.028 -10.887 1.561 1.00 0.00 N ATOM 0 H ASN A 42 3.029 -6.941 3.327 1.00 0.00 H new ATOM 0 HA ASN A 42 3.894 -7.676 0.627 1.00 0.00 H new ATOM 0 HB2 ASN A 42 1.559 -8.273 2.450 1.00 0.00 H new ATOM 0 HB3 ASN A 42 1.385 -8.510 0.723 1.00 0.00 H new ATOM 0 HD21 ASN A 42 2.432 -11.821 1.630 1.00 0.00 H new ATOM 0 HD22 ASN A 42 1.023 -10.774 1.425 1.00 0.00 H new ATOM 618 N ILE A 43 2.647 -5.897 -0.658 1.00 0.00 N ATOM 619 CA ILE A 43 1.936 -4.853 -1.385 1.00 0.00 C ATOM 620 C ILE A 43 0.535 -5.328 -1.762 1.00 0.00 C ATOM 621 O ILE A 43 -0.310 -4.515 -2.131 1.00 0.00 O ATOM 622 CB ILE A 43 2.789 -4.388 -2.576 1.00 0.00 C ATOM 623 CG1 ILE A 43 3.776 -3.325 -2.076 1.00 0.00 C ATOM 624 CG2 ILE A 43 1.950 -3.809 -3.720 1.00 0.00 C ATOM 625 CD1 ILE A 43 3.088 -2.011 -1.750 1.00 0.00 C ATOM 0 H ILE A 43 3.366 -6.379 -1.198 1.00 0.00 H new ATOM 0 HA ILE A 43 1.785 -3.978 -0.753 1.00 0.00 H new ATOM 0 HB ILE A 43 3.309 -5.258 -2.977 1.00 0.00 H new ATOM 0 HG12 ILE A 43 4.287 -3.696 -1.187 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.539 -3.155 -2.835 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.607 -3.498 -4.532 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.258 -4.568 -4.084 1.00 0.00 H new ATOM 0 HG23 ILE A 43 1.387 -2.948 -3.359 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.827 -1.290 -1.400 1.00 0.00 H new ATOM 0 HD12 ILE A 43 2.599 -1.625 -2.644 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.343 -2.174 -0.971 1.00 0.00 H new ATOM 637 N ASN A 44 0.271 -6.633 -1.670 1.00 0.00 N ATOM 638 CA ASN A 44 -1.040 -7.162 -2.002 1.00 0.00 C ATOM 639 C ASN A 44 -1.955 -7.148 -0.780 1.00 0.00 C ATOM 640 O ASN A 44 -3.104 -7.575 -0.857 1.00 0.00 O ATOM 641 CB ASN A 44 -0.885 -8.568 -2.581 1.00 0.00 C ATOM 642 CG ASN A 44 -0.048 -8.574 -3.855 1.00 0.00 C ATOM 643 OD1 ASN A 44 -0.032 -7.605 -4.610 1.00 0.00 O ATOM 644 ND2 ASN A 44 0.659 -9.671 -4.103 1.00 0.00 N ATOM 0 H ASN A 44 0.948 -7.334 -1.369 1.00 0.00 H new ATOM 0 HA ASN A 44 -1.509 -6.529 -2.755 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -0.419 -9.216 -1.839 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -1.870 -8.983 -2.793 1.00 0.00 H new ATOM 0 HD21 ASN A 44 1.238 -9.726 -4.941 1.00 0.00 H new ATOM 0 HD22 ASN A 44 0.623 -10.458 -3.455 1.00 0.00 H new ATOM 651 N TYR A 45 -1.436 -6.655 0.346 1.00 0.00 N ATOM 652 CA TYR A 45 -2.147 -6.561 1.607 1.00 0.00 C ATOM 653 C TYR A 45 -1.998 -5.160 2.197 1.00 0.00 C ATOM 654 O TYR A 45 -2.590 -4.856 3.231 1.00 0.00 O ATOM 655 CB TYR A 45 -1.559 -7.624 2.533 1.00 0.00 C ATOM 656 CG TYR A 45 -2.090 -9.008 2.251 1.00 0.00 C ATOM 657 CD1 TYR A 45 -3.256 -9.445 2.893 1.00 0.00 C ATOM 658 CD2 TYR A 45 -1.428 -9.849 1.341 1.00 0.00 C ATOM 659 CE1 TYR A 45 -3.758 -10.732 2.647 1.00 0.00 C ATOM 660 CE2 TYR A 45 -1.921 -11.136 1.090 1.00 0.00 C ATOM 661 CZ TYR A 45 -3.088 -11.584 1.743 1.00 0.00 C ATOM 662 OH TYR A 45 -3.570 -12.837 1.500 1.00 0.00 O ATOM 0 H TYR A 45 -0.481 -6.302 0.399 1.00 0.00 H new ATOM 0 HA TYR A 45 -3.215 -6.733 1.472 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -0.474 -7.629 2.429 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -1.779 -7.360 3.567 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.770 -8.789 3.580 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -0.539 -9.503 0.835 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -4.654 -11.069 3.147 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -1.407 -11.785 0.396 1.00 0.00 H new ATOM 0 HH TYR A 45 -2.991 -13.290 0.852 1.00 0.00 H new ATOM 672 N ALA A 46 -1.210 -4.305 1.538 1.00 0.00 N ATOM 673 CA ALA A 46 -0.910 -2.961 2.005 1.00 0.00 C ATOM 674 C ALA A 46 -1.655 -1.902 1.202 1.00 0.00 C ATOM 675 O ALA A 46 -1.969 -0.837 1.729 1.00 0.00 O ATOM 676 CB ALA A 46 0.591 -2.758 1.861 1.00 0.00 C ATOM 0 H ALA A 46 -0.759 -4.537 0.653 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.230 -2.856 3.042 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.857 -1.758 2.202 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.118 -3.499 2.463 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.875 -2.872 0.815 1.00 0.00 H new ATOM 682 N LEU A 47 -1.943 -2.185 -0.070 1.00 0.00 N ATOM 683 CA LEU A 47 -2.664 -1.244 -0.908 1.00 0.00 C ATOM 684 C LEU A 47 -4.129 -1.194 -0.490 1.00 0.00 C ATOM 685 O LEU A 47 -4.750 -0.137 -0.549 1.00 0.00 O ATOM 686 CB LEU A 47 -2.519 -1.665 -2.371 1.00 0.00 C ATOM 687 CG LEU A 47 -1.111 -1.419 -2.912 1.00 0.00 C ATOM 688 CD1 LEU A 47 -1.042 -1.945 -4.344 1.00 0.00 C ATOM 689 CD2 LEU A 47 -0.765 0.072 -2.928 1.00 0.00 C ATOM 0 H LEU A 47 -1.686 -3.056 -0.534 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.249 -0.243 -0.790 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.762 -2.723 -2.467 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.239 -1.116 -2.977 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.401 -1.931 -2.263 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.043 -1.777 -4.746 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.261 -3.013 -4.350 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.773 -1.421 -4.960 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.243 0.207 -3.319 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.474 0.603 -3.562 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.817 0.469 -1.914 1.00 0.00 H new ATOM 701 N ASN A 48 -4.691 -2.327 -0.064 1.00 0.00 N ATOM 702 CA ASN A 48 -6.082 -2.391 0.359 1.00 0.00 C ATOM 703 C ASN A 48 -6.269 -1.588 1.638 1.00 0.00 C ATOM 704 O ASN A 48 -7.306 -0.960 1.838 1.00 0.00 O ATOM 705 CB ASN A 48 -6.476 -3.847 0.602 1.00 0.00 C ATOM 706 CG ASN A 48 -5.928 -4.740 -0.490 1.00 0.00 C ATOM 707 OD1 ASN A 48 -6.584 -5.010 -1.491 1.00 0.00 O ATOM 708 ND2 ASN A 48 -4.699 -5.196 -0.283 1.00 0.00 N ATOM 0 H ASN A 48 -4.195 -3.217 -0.005 1.00 0.00 H new ATOM 0 HA ASN A 48 -6.716 -1.971 -0.422 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -6.097 -4.174 1.570 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -7.562 -3.934 0.638 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -4.257 -5.802 -0.974 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -4.197 -4.941 0.567 1.00 0.00 H new ATOM 715 N ASP A 49 -5.250 -1.611 2.501 1.00 0.00 N ATOM 716 CA ASP A 49 -5.268 -0.867 3.754 1.00 0.00 C ATOM 717 C ASP A 49 -5.287 0.634 3.478 1.00 0.00 C ATOM 718 O ASP A 49 -5.851 1.410 4.246 1.00 0.00 O ATOM 719 CB ASP A 49 -4.018 -1.254 4.547 1.00 0.00 C ATOM 720 CG ASP A 49 -4.072 -0.826 6.012 1.00 0.00 C ATOM 721 OD1 ASP A 49 -5.194 -0.661 6.540 1.00 0.00 O ATOM 722 OD2 ASP A 49 -2.976 -0.668 6.593 1.00 0.00 O ATOM 0 H ASP A 49 -4.394 -2.145 2.348 1.00 0.00 H new ATOM 0 HA ASP A 49 -6.164 -1.108 4.327 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.885 -2.335 4.497 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -3.144 -0.803 4.076 1.00 0.00 H new ATOM 727 N TYR A 50 -4.666 1.042 2.368 1.00 0.00 N ATOM 728 CA TYR A 50 -4.663 2.426 1.927 1.00 0.00 C ATOM 729 C TYR A 50 -5.965 2.753 1.201 1.00 0.00 C ATOM 730 O TYR A 50 -6.446 3.884 1.247 1.00 0.00 O ATOM 731 CB TYR A 50 -3.452 2.625 1.018 1.00 0.00 C ATOM 732 CG TYR A 50 -3.263 4.042 0.528 1.00 0.00 C ATOM 733 CD1 TYR A 50 -2.501 4.953 1.273 1.00 0.00 C ATOM 734 CD2 TYR A 50 -3.857 4.442 -0.680 1.00 0.00 C ATOM 735 CE1 TYR A 50 -2.323 6.267 0.806 1.00 0.00 C ATOM 736 CE2 TYR A 50 -3.688 5.753 -1.148 1.00 0.00 C ATOM 737 CZ TYR A 50 -2.919 6.669 -0.406 1.00 0.00 C ATOM 738 OH TYR A 50 -2.752 7.943 -0.859 1.00 0.00 O ATOM 0 H TYR A 50 -4.151 0.413 1.752 1.00 0.00 H new ATOM 0 HA TYR A 50 -4.594 3.102 2.779 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -2.555 2.317 1.556 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -3.549 1.965 0.156 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -2.051 4.645 2.205 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -4.445 3.738 -1.250 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -1.730 6.968 1.375 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -4.147 6.059 -2.076 1.00 0.00 H new ATOM 0 HH TYR A 50 -3.228 8.053 -1.709 1.00 0.00 H new ATOM 748 N TYR A 51 -6.546 1.755 0.531 1.00 0.00 N ATOM 749 CA TYR A 51 -7.828 1.893 -0.145 1.00 0.00 C ATOM 750 C TYR A 51 -8.991 1.812 0.843 1.00 0.00 C ATOM 751 O TYR A 51 -10.149 1.943 0.451 1.00 0.00 O ATOM 752 CB TYR A 51 -7.955 0.834 -1.246 1.00 0.00 C ATOM 753 CG TYR A 51 -6.874 0.921 -2.303 1.00 0.00 C ATOM 754 CD1 TYR A 51 -6.389 2.175 -2.701 1.00 0.00 C ATOM 755 CD2 TYR A 51 -6.350 -0.249 -2.880 1.00 0.00 C ATOM 756 CE1 TYR A 51 -5.385 2.271 -3.672 1.00 0.00 C ATOM 757 CE2 TYR A 51 -5.344 -0.161 -3.854 1.00 0.00 C ATOM 758 CZ TYR A 51 -4.858 1.101 -4.255 1.00 0.00 C ATOM 759 OH TYR A 51 -3.881 1.192 -5.201 1.00 0.00 O ATOM 0 H TYR A 51 -6.134 0.826 0.445 1.00 0.00 H new ATOM 0 HA TYR A 51 -7.871 2.879 -0.607 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -7.926 -0.156 -0.791 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -8.929 0.936 -1.725 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -6.792 3.072 -2.256 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -6.722 -1.216 -2.574 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -5.015 3.240 -3.974 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -4.942 -1.060 -4.297 1.00 0.00 H new ATOM 0 HH TYR A 51 -3.629 0.293 -5.498 1.00 0.00 H new ATOM 769 N ASP A 52 -8.687 1.594 2.125 1.00 0.00 N ATOM 770 CA ASP A 52 -9.674 1.572 3.186 1.00 0.00 C ATOM 771 C ASP A 52 -9.631 2.856 4.006 1.00 0.00 C ATOM 772 O ASP A 52 -10.653 3.279 4.542 1.00 0.00 O ATOM 773 CB ASP A 52 -9.350 0.408 4.119 1.00 0.00 C ATOM 774 CG ASP A 52 -9.699 -0.960 3.531 1.00 0.00 C ATOM 775 OD1 ASP A 52 -10.531 -1.004 2.596 1.00 0.00 O ATOM 776 OD2 ASP A 52 -9.124 -1.955 4.027 1.00 0.00 O ATOM 0 H ASP A 52 -7.735 1.427 2.450 1.00 0.00 H new ATOM 0 HA ASP A 52 -10.663 1.470 2.738 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -8.287 0.431 4.360 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -9.892 0.541 5.055 1.00 0.00 H new ATOM 781 N LYS A 53 -8.449 3.473 4.104 1.00 0.00 N ATOM 782 CA LYS A 53 -8.227 4.587 5.016 1.00 0.00 C ATOM 783 C LYS A 53 -7.765 5.873 4.332 1.00 0.00 C ATOM 784 O LYS A 53 -7.714 6.917 4.980 1.00 0.00 O ATOM 785 CB LYS A 53 -7.203 4.124 6.047 1.00 0.00 C ATOM 786 CG LYS A 53 -7.748 2.927 6.823 1.00 0.00 C ATOM 787 CD LYS A 53 -6.691 2.489 7.827 1.00 0.00 C ATOM 788 CE LYS A 53 -7.201 1.324 8.674 1.00 0.00 C ATOM 789 NZ LYS A 53 -7.475 0.132 7.846 1.00 0.00 N ATOM 0 H LYS A 53 -7.629 3.213 3.556 1.00 0.00 H new ATOM 0 HA LYS A 53 -9.179 4.850 5.477 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -6.272 3.852 5.550 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -6.972 4.938 6.734 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.671 3.195 7.336 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.987 2.110 6.142 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.783 2.193 7.301 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -6.426 3.326 8.473 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.463 1.077 9.437 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -8.110 1.623 9.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -7.521 -0.710 8.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -8.383 0.253 7.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -6.715 0.013 7.147 1.00 0.00 H new ATOM 803 N GLU A 54 -7.431 5.823 3.039 1.00 0.00 N ATOM 804 CA GLU A 54 -6.935 6.987 2.308 1.00 0.00 C ATOM 805 C GLU A 54 -7.553 7.084 0.914 1.00 0.00 C ATOM 806 O GLU A 54 -7.097 7.876 0.089 1.00 0.00 O ATOM 807 CB GLU A 54 -5.411 6.923 2.185 1.00 0.00 C ATOM 808 CG GLU A 54 -4.696 6.907 3.541 1.00 0.00 C ATOM 809 CD GLU A 54 -4.898 8.201 4.330 1.00 0.00 C ATOM 810 OE1 GLU A 54 -5.211 9.236 3.697 1.00 0.00 O ATOM 811 OE2 GLU A 54 -4.732 8.152 5.568 1.00 0.00 O ATOM 0 H GLU A 54 -7.497 4.977 2.474 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.223 7.874 2.872 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.135 6.029 1.626 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.063 7.780 1.608 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -5.062 6.066 4.130 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.630 6.745 3.383 1.00 0.00 H new ATOM 818 N ILE A 55 -8.586 6.284 0.634 1.00 0.00 N ATOM 819 CA ILE A 55 -9.198 6.254 -0.682 1.00 0.00 C ATOM 820 C ILE A 55 -9.866 7.595 -1.004 1.00 0.00 C ATOM 821 O ILE A 55 -10.349 8.287 -0.105 1.00 0.00 O ATOM 822 CB ILE A 55 -10.168 5.065 -0.763 1.00 0.00 C ATOM 823 CG1 ILE A 55 -10.701 4.918 -2.189 1.00 0.00 C ATOM 824 CG2 ILE A 55 -11.303 5.214 0.255 1.00 0.00 C ATOM 825 CD1 ILE A 55 -11.506 3.630 -2.368 1.00 0.00 C ATOM 0 H ILE A 55 -9.012 5.649 1.309 1.00 0.00 H new ATOM 0 HA ILE A 55 -8.433 6.109 -1.445 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.628 4.152 -0.510 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -11.329 5.775 -2.432 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -9.867 4.925 -2.891 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -11.976 4.360 0.177 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -10.886 5.257 1.261 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -11.856 6.131 0.052 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -11.866 3.566 -3.395 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -10.871 2.771 -2.151 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -12.356 3.634 -1.685 1.00 0.00 H new ATOM 837 N GLY A 56 -9.892 7.960 -2.289 1.00 0.00 N ATOM 838 CA GLY A 56 -10.411 9.248 -2.732 1.00 0.00 C ATOM 839 C GLY A 56 -11.936 9.310 -2.785 1.00 0.00 C ATOM 840 O GLY A 56 -12.490 10.391 -2.979 1.00 0.00 O ATOM 0 H GLY A 56 -9.553 7.368 -3.048 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -10.048 10.026 -2.061 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.013 9.469 -3.722 1.00 0.00 H new ATOM 844 N THR A 57 -12.622 8.175 -2.616 1.00 0.00 N ATOM 845 CA THR A 57 -14.079 8.130 -2.665 1.00 0.00 C ATOM 846 C THR A 57 -14.619 6.973 -1.831 1.00 0.00 C ATOM 847 O THR A 57 -13.898 6.020 -1.535 1.00 0.00 O ATOM 848 CB THR A 57 -14.553 8.015 -4.118 1.00 0.00 C ATOM 849 OG1 THR A 57 -15.961 8.096 -4.156 1.00 0.00 O ATOM 850 CG2 THR A 57 -14.117 6.699 -4.757 1.00 0.00 C ATOM 0 H THR A 57 -12.183 7.271 -2.443 1.00 0.00 H new ATOM 0 HA THR A 57 -14.466 9.056 -2.241 1.00 0.00 H new ATOM 0 HB THR A 57 -14.102 8.832 -4.681 1.00 0.00 H new ATOM 0 HG1 THR A 57 -16.327 7.265 -4.524 1.00 0.00 H new ATOM 0 HG21 THR A 57 -14.474 6.659 -5.786 1.00 0.00 H new ATOM 0 HG22 THR A 57 -13.029 6.633 -4.747 1.00 0.00 H new ATOM 0 HG23 THR A 57 -14.537 5.865 -4.195 1.00 0.00 H new ATOM 858 N PHE A 58 -15.898 7.063 -1.459 1.00 0.00 N ATOM 859 CA PHE A 58 -16.573 6.080 -0.629 1.00 0.00 C ATOM 860 C PHE A 58 -17.889 5.633 -1.264 1.00 0.00 C ATOM 861 O PHE A 58 -18.657 4.894 -0.651 1.00 0.00 O ATOM 862 CB PHE A 58 -16.789 6.689 0.747 1.00 0.00 C ATOM 863 CG PHE A 58 -15.477 7.016 1.410 1.00 0.00 C ATOM 864 CD1 PHE A 58 -14.811 6.032 2.145 1.00 0.00 C ATOM 865 CD2 PHE A 58 -14.923 8.294 1.270 1.00 0.00 C ATOM 866 CE1 PHE A 58 -13.574 6.324 2.736 1.00 0.00 C ATOM 867 CE2 PHE A 58 -13.690 8.587 1.866 1.00 0.00 C ATOM 868 CZ PHE A 58 -13.013 7.602 2.599 1.00 0.00 C ATOM 0 H PHE A 58 -16.500 7.839 -1.735 1.00 0.00 H new ATOM 0 HA PHE A 58 -15.958 5.185 -0.536 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -17.389 7.594 0.657 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -17.352 5.994 1.371 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -15.247 5.051 2.257 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -15.445 9.052 0.704 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -13.052 5.564 3.298 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -13.260 9.572 1.761 1.00 0.00 H new ATOM 0 HZ PHE A 58 -12.061 7.827 3.057 1.00 0.00 H new ATOM 878 N THR A 59 -18.148 6.089 -2.491 1.00 0.00 N ATOM 879 CA THR A 59 -19.366 5.771 -3.224 1.00 0.00 C ATOM 880 C THR A 59 -19.071 5.536 -4.702 1.00 0.00 C ATOM 881 O THR A 59 -17.991 5.873 -5.190 1.00 0.00 O ATOM 882 CB THR A 59 -20.396 6.887 -3.025 1.00 0.00 C ATOM 883 OG1 THR A 59 -21.629 6.513 -3.598 1.00 0.00 O ATOM 884 CG2 THR A 59 -19.930 8.200 -3.657 1.00 0.00 C ATOM 0 H THR A 59 -17.509 6.695 -3.005 1.00 0.00 H new ATOM 0 HA THR A 59 -19.784 4.844 -2.831 1.00 0.00 H new ATOM 0 HB THR A 59 -20.512 7.040 -1.952 1.00 0.00 H new ATOM 0 HG1 THR A 59 -22.283 7.231 -3.465 1.00 0.00 H new ATOM 0 HG21 THR A 59 -20.685 8.969 -3.496 1.00 0.00 H new ATOM 0 HG22 THR A 59 -18.992 8.512 -3.198 1.00 0.00 H new ATOM 0 HG23 THR A 59 -19.781 8.056 -4.727 1.00 0.00 H new ATOM 892 N ASP A 60 -20.038 4.953 -5.417 1.00 0.00 N ATOM 893 CA ASP A 60 -19.911 4.658 -6.833 1.00 0.00 C ATOM 894 C ASP A 60 -21.180 5.058 -7.587 1.00 0.00 C ATOM 895 O ASP A 60 -21.399 4.631 -8.720 1.00 0.00 O ATOM 896 CB ASP A 60 -19.565 3.175 -7.013 1.00 0.00 C ATOM 897 CG ASP A 60 -19.203 2.830 -8.455 1.00 0.00 C ATOM 898 OD1 ASP A 60 -18.340 3.537 -9.023 1.00 0.00 O ATOM 899 OD2 ASP A 60 -19.792 1.862 -8.987 1.00 0.00 O ATOM 0 H ASP A 60 -20.935 4.673 -5.019 1.00 0.00 H new ATOM 0 HA ASP A 60 -19.100 5.247 -7.261 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -18.730 2.918 -6.361 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -20.413 2.567 -6.699 1.00 0.00 H new ATOM 904 N GLU A 61 -22.020 5.881 -6.956 1.00 0.00 N ATOM 905 CA GLU A 61 -23.262 6.344 -7.548 1.00 0.00 C ATOM 906 C GLU A 61 -23.398 7.859 -7.407 1.00 0.00 C ATOM 907 O GLU A 61 -22.707 8.480 -6.597 1.00 0.00 O ATOM 908 CB GLU A 61 -24.443 5.631 -6.887 1.00 0.00 C ATOM 909 CG GLU A 61 -24.401 4.125 -7.146 1.00 0.00 C ATOM 910 CD GLU A 61 -25.611 3.433 -6.526 1.00 0.00 C ATOM 911 OE1 GLU A 61 -25.504 3.028 -5.347 1.00 0.00 O ATOM 912 OE2 GLU A 61 -26.638 3.315 -7.231 1.00 0.00 O ATOM 0 H GLU A 61 -21.851 6.242 -6.017 1.00 0.00 H new ATOM 0 HA GLU A 61 -23.256 6.108 -8.612 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -24.428 5.818 -5.813 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -25.378 6.041 -7.269 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -24.380 3.937 -8.219 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -23.485 3.706 -6.731 1.00 0.00 H new ATOM 919 N VAL A 62 -24.294 8.451 -8.203 1.00 0.00 N ATOM 920 CA VAL A 62 -24.543 9.891 -8.213 1.00 0.00 C ATOM 921 C VAL A 62 -26.039 10.180 -8.288 1.00 0.00 C ATOM 922 O VAL A 62 -26.420 11.301 -7.889 1.00 0.00 O ATOM 923 CB VAL A 62 -23.808 10.563 -9.380 1.00 0.00 C ATOM 924 CG1 VAL A 62 -22.293 10.429 -9.210 1.00 0.00 C ATOM 925 CG2 VAL A 62 -24.219 9.957 -10.723 1.00 0.00 C ATOM 0 H VAL A 62 -24.873 7.935 -8.866 1.00 0.00 H new ATOM 0 HA VAL A 62 -24.159 10.306 -7.281 1.00 0.00 H new ATOM 0 HB VAL A 62 -24.085 11.617 -9.373 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -21.789 10.912 -10.047 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -21.988 10.906 -8.279 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -22.022 9.374 -9.183 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -23.679 10.456 -11.528 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -23.980 8.894 -10.731 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -25.291 10.089 -10.869 1.00 0.00 H new TER 935 VAL A 62