USER MOD reduce.3.24.130724 H: found=0, std=0, add=486, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 488 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 14 LYS NZ :NH3+ -120:sc= 1.21 (180deg=0) USER MOD Set 1.2: A 60 TYR OH : rot 180:sc= 1.02 USER MOD Set 2.1: A 6 GLN : amide:sc= 0.832 K(o=1.6,f=0.16) USER MOD Set 2.2: A 72 SER OG : rot 170:sc= 0.728 USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 12 SER OG : rot 132:sc= 0.14 USER MOD Single : A 13 ASN : amide:sc= -0.0996 K(o=-0.1,f=-2.8!) USER MOD Single : A 17 LYS NZ :NH3+ 160:sc= -2.18! (180deg=-4.11!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= -0.205 USER MOD Single : A 43 LYS NZ :NH3+ -118:sc= 1.18 (180deg=-0.372) USER MOD Single : A 46 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 51 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0205) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 59 GLN : amide:sc= -0.23 K(o=-0.23,f=-7.7!) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 70 THR OG1 : rot 38:sc= 1.15 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot -111:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 63 N GLN A 5 3.369 -12.392 -4.141 1.00 0.00 N ATOM 64 CA GLN A 5 4.658 -11.740 -4.248 1.00 0.00 C ATOM 65 C GLN A 5 4.758 -10.616 -3.233 1.00 0.00 C ATOM 66 O GLN A 5 4.040 -9.619 -3.320 1.00 0.00 O ATOM 67 CB GLN A 5 4.901 -11.208 -5.662 1.00 0.00 C ATOM 68 CG GLN A 5 6.325 -10.716 -5.871 1.00 0.00 C ATOM 69 CD GLN A 5 6.638 -10.393 -7.317 1.00 0.00 C ATOM 70 OE1 GLN A 5 5.770 -9.967 -8.080 1.00 0.00 O ATOM 71 NE2 GLN A 5 7.884 -10.602 -7.705 1.00 0.00 N ATOM 0 HA GLN A 5 5.430 -12.480 -4.037 1.00 0.00 H new ATOM 0 HB2 GLN A 5 4.684 -11.996 -6.384 1.00 0.00 H new ATOM 0 HB3 GLN A 5 4.207 -10.392 -5.862 1.00 0.00 H new ATOM 0 HG2 GLN A 5 6.488 -9.826 -5.263 1.00 0.00 H new ATOM 0 HG3 GLN A 5 7.021 -11.476 -5.516 1.00 0.00 H new ATOM 0 HE21 GLN A 5 8.572 -10.956 -7.041 1.00 0.00 H new ATOM 0 HE22 GLN A 5 8.157 -10.409 -8.669 1.00 0.00 H new ATOM 80 N GLN A 6 5.632 -10.798 -2.258 1.00 0.00 N ATOM 81 CA GLN A 6 5.851 -9.793 -1.236 1.00 0.00 C ATOM 82 C GLN A 6 7.157 -9.062 -1.494 1.00 0.00 C ATOM 83 O GLN A 6 8.178 -9.678 -1.803 1.00 0.00 O ATOM 84 CB GLN A 6 5.865 -10.429 0.156 1.00 0.00 C ATOM 85 CG GLN A 6 4.514 -10.972 0.592 1.00 0.00 C ATOM 86 CD GLN A 6 4.547 -11.585 1.980 1.00 0.00 C ATOM 87 OE1 GLN A 6 5.566 -12.121 2.414 1.00 0.00 O ATOM 88 NE2 GLN A 6 3.434 -11.497 2.693 1.00 0.00 N ATOM 0 H GLN A 6 6.203 -11.637 -2.154 1.00 0.00 H new ATOM 0 HA GLN A 6 5.031 -9.076 -1.276 1.00 0.00 H new ATOM 0 HB2 GLN A 6 6.594 -11.239 0.168 1.00 0.00 H new ATOM 0 HB3 GLN A 6 6.200 -9.688 0.881 1.00 0.00 H new ATOM 0 HG2 GLN A 6 3.780 -10.166 0.573 1.00 0.00 H new ATOM 0 HG3 GLN A 6 4.181 -11.723 -0.124 1.00 0.00 H new ATOM 0 HE21 GLN A 6 2.610 -11.045 2.298 1.00 0.00 H new ATOM 0 HE22 GLN A 6 3.401 -11.881 3.637 1.00 0.00 H new ATOM 97 N LYS A 7 7.111 -7.746 -1.395 1.00 0.00 N ATOM 98 CA LYS A 7 8.296 -6.927 -1.579 1.00 0.00 C ATOM 99 C LYS A 7 8.268 -5.755 -0.611 1.00 0.00 C ATOM 100 O LYS A 7 7.197 -5.247 -0.280 1.00 0.00 O ATOM 101 CB LYS A 7 8.373 -6.421 -3.023 1.00 0.00 C ATOM 102 CG LYS A 7 9.639 -5.635 -3.335 1.00 0.00 C ATOM 103 CD LYS A 7 9.689 -5.211 -4.796 1.00 0.00 C ATOM 104 CE LYS A 7 9.690 -6.415 -5.727 1.00 0.00 C ATOM 105 NZ LYS A 7 9.580 -6.022 -7.157 1.00 0.00 N ATOM 0 H LYS A 7 6.262 -7.219 -1.187 1.00 0.00 H new ATOM 0 HA LYS A 7 9.180 -7.532 -1.377 1.00 0.00 H new ATOM 0 HB2 LYS A 7 8.310 -7.273 -3.700 1.00 0.00 H new ATOM 0 HB3 LYS A 7 7.507 -5.790 -3.223 1.00 0.00 H new ATOM 0 HG2 LYS A 7 9.686 -4.752 -2.697 1.00 0.00 H new ATOM 0 HG3 LYS A 7 10.513 -6.244 -3.102 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.832 -4.576 -5.021 1.00 0.00 H new ATOM 0 HD3 LYS A 7 10.583 -4.613 -4.972 1.00 0.00 H new ATOM 0 HE2 LYS A 7 10.607 -6.986 -5.579 1.00 0.00 H new ATOM 0 HE3 LYS A 7 8.860 -7.072 -5.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 9.585 -6.875 -7.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 8.693 -5.500 -7.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 10.385 -5.416 -7.413 1.00 0.00 H new ATOM 119 N GLN A 8 9.439 -5.350 -0.140 1.00 0.00 N ATOM 120 CA GLN A 8 9.542 -4.204 0.752 1.00 0.00 C ATOM 121 C GLN A 8 9.458 -2.908 -0.049 1.00 0.00 C ATOM 122 O GLN A 8 10.261 -2.668 -0.955 1.00 0.00 O ATOM 123 CB GLN A 8 10.845 -4.262 1.556 1.00 0.00 C ATOM 124 CG GLN A 8 10.975 -3.152 2.590 1.00 0.00 C ATOM 125 CD GLN A 8 12.165 -3.342 3.514 1.00 0.00 C ATOM 126 OE1 GLN A 8 13.186 -3.916 3.128 1.00 0.00 O ATOM 127 NE2 GLN A 8 12.043 -2.858 4.741 1.00 0.00 N ATOM 0 H GLN A 8 10.329 -5.797 -0.360 1.00 0.00 H new ATOM 0 HA GLN A 8 8.710 -4.232 1.456 1.00 0.00 H new ATOM 0 HB2 GLN A 8 10.908 -5.226 2.061 1.00 0.00 H new ATOM 0 HB3 GLN A 8 11.689 -4.207 0.868 1.00 0.00 H new ATOM 0 HG2 GLN A 8 11.068 -2.194 2.078 1.00 0.00 H new ATOM 0 HG3 GLN A 8 10.063 -3.108 3.185 1.00 0.00 H new ATOM 0 HE21 GLN A 8 11.181 -2.390 5.021 1.00 0.00 H new ATOM 0 HE22 GLN A 8 12.811 -2.954 5.406 1.00 0.00 H new ATOM 136 N VAL A 9 8.471 -2.091 0.283 1.00 0.00 N ATOM 137 CA VAL A 9 8.229 -0.837 -0.418 1.00 0.00 C ATOM 138 C VAL A 9 8.021 0.301 0.573 1.00 0.00 C ATOM 139 O VAL A 9 7.976 0.079 1.786 1.00 0.00 O ATOM 140 CB VAL A 9 6.995 -0.926 -1.347 1.00 0.00 C ATOM 141 CG1 VAL A 9 7.274 -1.845 -2.527 1.00 0.00 C ATOM 142 CG2 VAL A 9 5.769 -1.402 -0.579 1.00 0.00 C ATOM 0 H VAL A 9 7.816 -2.276 1.043 1.00 0.00 H new ATOM 0 HA VAL A 9 9.111 -0.640 -1.028 1.00 0.00 H new ATOM 0 HB VAL A 9 6.790 0.074 -1.730 1.00 0.00 H new ATOM 0 HG11 VAL A 9 6.393 -1.893 -3.167 1.00 0.00 H new ATOM 0 HG12 VAL A 9 8.117 -1.457 -3.099 1.00 0.00 H new ATOM 0 HG13 VAL A 9 7.512 -2.844 -2.162 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.915 -1.456 -1.254 1.00 0.00 H new ATOM 0 HG22 VAL A 9 5.963 -2.389 -0.159 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.550 -0.702 0.227 1.00 0.00 H new ATOM 152 N VAL A 10 7.905 1.517 0.055 1.00 0.00 N ATOM 153 CA VAL A 10 7.691 2.686 0.893 1.00 0.00 C ATOM 154 C VAL A 10 6.332 3.315 0.608 1.00 0.00 C ATOM 155 O VAL A 10 6.011 3.617 -0.539 1.00 0.00 O ATOM 156 CB VAL A 10 8.787 3.754 0.667 1.00 0.00 C ATOM 157 CG1 VAL A 10 8.631 4.909 1.651 1.00 0.00 C ATOM 158 CG2 VAL A 10 10.174 3.137 0.774 1.00 0.00 C ATOM 0 H VAL A 10 7.956 1.718 -0.944 1.00 0.00 H new ATOM 0 HA VAL A 10 7.732 2.346 1.928 1.00 0.00 H new ATOM 0 HB VAL A 10 8.669 4.150 -0.342 1.00 0.00 H new ATOM 0 HG11 VAL A 10 9.413 5.647 1.473 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.655 5.374 1.514 1.00 0.00 H new ATOM 0 HG13 VAL A 10 8.714 4.532 2.670 1.00 0.00 H new ATOM 0 HG21 VAL A 10 10.928 3.907 0.611 1.00 0.00 H new ATOM 0 HG22 VAL A 10 10.304 2.705 1.766 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.284 2.357 0.021 1.00 0.00 H new ATOM 168 N VAL A 11 5.530 3.485 1.649 1.00 0.00 N ATOM 169 CA VAL A 11 4.270 4.210 1.534 1.00 0.00 C ATOM 170 C VAL A 11 4.551 5.707 1.525 1.00 0.00 C ATOM 171 O VAL A 11 4.796 6.304 2.572 1.00 0.00 O ATOM 172 CB VAL A 11 3.313 3.868 2.695 1.00 0.00 C ATOM 173 CG1 VAL A 11 1.955 4.523 2.494 1.00 0.00 C ATOM 174 CG2 VAL A 11 3.167 2.360 2.836 1.00 0.00 C ATOM 0 H VAL A 11 5.728 3.131 2.585 1.00 0.00 H new ATOM 0 HA VAL A 11 3.787 3.912 0.603 1.00 0.00 H new ATOM 0 HB VAL A 11 3.742 4.262 3.616 1.00 0.00 H new ATOM 0 HG11 VAL A 11 1.300 4.266 3.326 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.076 5.605 2.449 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.514 4.168 1.562 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.489 2.136 3.659 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.765 1.945 1.911 1.00 0.00 H new ATOM 0 HG23 VAL A 11 4.142 1.917 3.038 1.00 0.00 H new ATOM 184 N SER A 12 4.533 6.301 0.342 1.00 0.00 N ATOM 185 CA SER A 12 4.972 7.679 0.168 1.00 0.00 C ATOM 186 C SER A 12 3.956 8.688 0.695 1.00 0.00 C ATOM 187 O SER A 12 4.305 9.571 1.479 1.00 0.00 O ATOM 188 CB SER A 12 5.250 7.961 -1.305 1.00 0.00 C ATOM 189 OG SER A 12 6.050 6.943 -1.875 1.00 0.00 O ATOM 0 H SER A 12 4.218 5.849 -0.516 1.00 0.00 H new ATOM 0 HA SER A 12 5.886 7.795 0.751 1.00 0.00 H new ATOM 0 HB2 SER A 12 4.308 8.035 -1.849 1.00 0.00 H new ATOM 0 HB3 SER A 12 5.753 8.923 -1.406 1.00 0.00 H new ATOM 0 HG SER A 12 5.654 6.652 -2.723 1.00 0.00 H new ATOM 195 N ASN A 13 2.708 8.573 0.258 1.00 0.00 N ATOM 196 CA ASN A 13 1.696 9.564 0.606 1.00 0.00 C ATOM 197 C ASN A 13 0.292 9.001 0.398 1.00 0.00 C ATOM 198 O ASN A 13 0.118 7.988 -0.283 1.00 0.00 O ATOM 199 CB ASN A 13 1.895 10.818 -0.257 1.00 0.00 C ATOM 200 CG ASN A 13 0.978 11.967 0.120 1.00 0.00 C ATOM 201 OD1 ASN A 13 0.621 12.146 1.286 1.00 0.00 O ATOM 202 ND2 ASN A 13 0.584 12.746 -0.875 1.00 0.00 N ATOM 0 H ASN A 13 2.374 7.811 -0.332 1.00 0.00 H new ATOM 0 HA ASN A 13 1.804 9.824 1.659 1.00 0.00 H new ATOM 0 HB2 ASN A 13 2.930 11.147 -0.171 1.00 0.00 H new ATOM 0 HB3 ASN A 13 1.729 10.559 -1.303 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -0.040 13.532 -0.691 1.00 0.00 H new ATOM 0 HD22 ASN A 13 0.905 12.561 -1.825 1.00 0.00 H new ATOM 209 N LYS A 14 -0.699 9.663 0.984 1.00 0.00 N ATOM 210 CA LYS A 14 -2.090 9.252 0.855 1.00 0.00 C ATOM 211 C LYS A 14 -2.839 10.189 -0.089 1.00 0.00 C ATOM 212 O LYS A 14 -2.584 11.392 -0.115 1.00 0.00 O ATOM 213 CB LYS A 14 -2.777 9.242 2.225 1.00 0.00 C ATOM 214 CG LYS A 14 -2.756 10.593 2.926 1.00 0.00 C ATOM 215 CD LYS A 14 -3.592 10.581 4.197 1.00 0.00 C ATOM 216 CE LYS A 14 -3.606 11.947 4.864 1.00 0.00 C ATOM 217 NZ LYS A 14 -4.459 11.967 6.083 1.00 0.00 N ATOM 0 H LYS A 14 -0.561 10.495 1.558 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.109 8.243 0.442 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.812 8.922 2.101 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.289 8.504 2.862 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.728 10.861 3.169 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.133 11.360 2.250 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.612 10.279 3.960 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.193 9.840 4.890 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.588 12.230 5.130 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -3.969 12.692 4.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -5.218 12.668 5.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -4.877 11.026 6.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -3.879 12.221 6.908 1.00 0.00 H new ATOM 231 N ARG A 15 -3.753 9.626 -0.862 1.00 0.00 N ATOM 232 CA ARG A 15 -4.591 10.391 -1.779 1.00 0.00 C ATOM 233 C ARG A 15 -5.951 9.712 -1.919 1.00 0.00 C ATOM 234 O ARG A 15 -6.232 8.746 -1.211 1.00 0.00 O ATOM 235 CB ARG A 15 -3.908 10.529 -3.146 1.00 0.00 C ATOM 236 CG ARG A 15 -2.943 11.708 -3.229 1.00 0.00 C ATOM 237 CD ARG A 15 -2.160 11.716 -4.532 1.00 0.00 C ATOM 238 NE ARG A 15 -0.995 10.830 -4.484 1.00 0.00 N ATOM 239 CZ ARG A 15 -0.469 10.227 -5.549 1.00 0.00 C ATOM 240 NH1 ARG A 15 -1.047 10.343 -6.739 1.00 0.00 N ATOM 241 NH2 ARG A 15 0.640 9.508 -5.426 1.00 0.00 N ATOM 0 H ARG A 15 -3.937 8.623 -0.873 1.00 0.00 H new ATOM 0 HA ARG A 15 -4.738 11.393 -1.376 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -3.365 9.610 -3.366 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -4.672 10.640 -3.915 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -3.501 12.640 -3.136 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -2.249 11.667 -2.390 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -2.814 11.409 -5.348 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -1.832 12.732 -4.751 1.00 0.00 H new ATOM 0 HE ARG A 15 -0.558 10.664 -3.577 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -1.898 10.896 -6.841 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -0.640 9.879 -7.551 1.00 0.00 H new ATOM 0 HH21 ARG A 15 1.090 9.417 -4.515 1.00 0.00 H new ATOM 0 HH22 ARG A 15 1.042 9.047 -6.242 1.00 0.00 H new ATOM 255 N GLU A 16 -6.799 10.213 -2.808 1.00 0.00 N ATOM 256 CA GLU A 16 -8.114 9.616 -3.008 1.00 0.00 C ATOM 257 C GLU A 16 -8.547 9.703 -4.467 1.00 0.00 C ATOM 258 O GLU A 16 -8.743 10.795 -5.001 1.00 0.00 O ATOM 259 CB GLU A 16 -9.167 10.301 -2.132 1.00 0.00 C ATOM 260 CG GLU A 16 -10.524 9.617 -2.180 1.00 0.00 C ATOM 261 CD GLU A 16 -11.633 10.453 -1.573 1.00 0.00 C ATOM 262 OE1 GLU A 16 -11.623 10.671 -0.342 1.00 0.00 O ATOM 263 OE2 GLU A 16 -12.521 10.909 -2.331 1.00 0.00 O ATOM 0 H GLU A 16 -6.603 11.023 -3.397 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.034 8.567 -2.723 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.814 10.322 -1.101 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.278 11.337 -2.452 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.774 9.391 -3.217 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.464 8.666 -1.652 1.00 0.00 H new ATOM 270 N LYS A 17 -8.664 8.554 -5.106 1.00 0.00 N ATOM 271 CA LYS A 17 -9.277 8.461 -6.421 1.00 0.00 C ATOM 272 C LYS A 17 -10.283 7.323 -6.407 1.00 0.00 C ATOM 273 O LYS A 17 -9.898 6.157 -6.378 1.00 0.00 O ATOM 274 CB LYS A 17 -8.231 8.205 -7.512 1.00 0.00 C ATOM 275 CG LYS A 17 -7.099 9.219 -7.549 1.00 0.00 C ATOM 276 CD LYS A 17 -6.052 8.868 -8.601 1.00 0.00 C ATOM 277 CE LYS A 17 -5.182 7.676 -8.193 1.00 0.00 C ATOM 278 NZ LYS A 17 -5.941 6.397 -8.128 1.00 0.00 N ATOM 0 H LYS A 17 -8.339 7.662 -4.732 1.00 0.00 H new ATOM 0 HA LYS A 17 -9.768 9.408 -6.645 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.807 7.211 -7.366 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.729 8.200 -8.481 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -7.505 10.209 -7.758 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -6.625 9.269 -6.569 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -6.551 8.643 -9.544 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.415 9.735 -8.777 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.363 7.570 -8.905 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.734 7.876 -7.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.279 5.597 -8.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -6.464 6.349 -7.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.611 6.350 -8.922 1.00 0.00 H new ATOM 580 N ARG A 37 -12.416 6.014 0.304 1.00 0.00 N ATOM 581 CA ARG A 37 -11.484 4.903 0.375 1.00 0.00 C ATOM 582 C ARG A 37 -10.112 5.411 -0.025 1.00 0.00 C ATOM 583 O ARG A 37 -9.810 5.557 -1.209 1.00 0.00 O ATOM 584 CB ARG A 37 -11.911 3.737 -0.522 1.00 0.00 C ATOM 585 CG ARG A 37 -13.027 2.888 0.066 1.00 0.00 C ATOM 586 CD ARG A 37 -14.379 3.578 -0.021 1.00 0.00 C ATOM 587 NE ARG A 37 -15.377 2.920 0.820 1.00 0.00 N ATOM 588 CZ ARG A 37 -16.085 1.850 0.460 1.00 0.00 C ATOM 589 NH1 ARG A 37 -15.915 1.299 -0.737 1.00 0.00 N ATOM 590 NH2 ARG A 37 -16.966 1.333 1.304 1.00 0.00 N ATOM 0 HA ARG A 37 -11.466 4.518 1.395 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -12.236 4.131 -1.485 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -11.046 3.102 -0.713 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -13.073 1.935 -0.461 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -12.801 2.665 1.109 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -14.276 4.620 0.283 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -14.720 3.581 -1.056 1.00 0.00 H new ATOM 0 HE ARG A 37 -15.543 3.307 1.749 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -15.238 1.695 -1.389 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -16.461 0.480 -1.004 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -17.099 1.754 2.223 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -17.511 0.514 1.034 1.00 0.00 H new ATOM 604 N TYR A 38 -9.313 5.720 0.980 1.00 0.00 N ATOM 605 CA TYR A 38 -8.034 6.376 0.778 1.00 0.00 C ATOM 606 C TYR A 38 -7.071 5.472 0.036 1.00 0.00 C ATOM 607 O TYR A 38 -7.010 4.275 0.293 1.00 0.00 O ATOM 608 CB TYR A 38 -7.435 6.770 2.127 1.00 0.00 C ATOM 609 CG TYR A 38 -8.427 7.430 3.052 1.00 0.00 C ATOM 610 CD1 TYR A 38 -8.751 8.771 2.911 1.00 0.00 C ATOM 611 CD2 TYR A 38 -9.045 6.705 4.062 1.00 0.00 C ATOM 612 CE1 TYR A 38 -9.663 9.372 3.754 1.00 0.00 C ATOM 613 CE2 TYR A 38 -9.957 7.299 4.909 1.00 0.00 C ATOM 614 CZ TYR A 38 -10.263 8.632 4.749 1.00 0.00 C ATOM 615 OH TYR A 38 -11.169 9.231 5.590 1.00 0.00 O ATOM 0 H TYR A 38 -9.532 5.524 1.957 1.00 0.00 H new ATOM 0 HA TYR A 38 -8.200 7.270 0.176 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -7.033 5.880 2.612 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -6.598 7.448 1.961 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -8.283 9.353 2.131 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -8.808 5.659 4.186 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -9.905 10.418 3.634 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -10.428 6.723 5.692 1.00 0.00 H new ATOM 0 HH TYR A 38 -11.501 8.573 6.235 1.00 0.00 H new ATOM 625 N GLU A 39 -6.333 6.047 -0.886 1.00 0.00 N ATOM 626 CA GLU A 39 -5.311 5.315 -1.602 1.00 0.00 C ATOM 627 C GLU A 39 -3.940 5.764 -1.145 1.00 0.00 C ATOM 628 O GLU A 39 -3.759 6.902 -0.708 1.00 0.00 O ATOM 629 CB GLU A 39 -5.440 5.525 -3.107 1.00 0.00 C ATOM 630 CG GLU A 39 -6.719 4.975 -3.704 1.00 0.00 C ATOM 631 CD GLU A 39 -6.740 5.126 -5.205 1.00 0.00 C ATOM 632 OE1 GLU A 39 -6.866 6.271 -5.680 1.00 0.00 O ATOM 633 OE2 GLU A 39 -6.591 4.110 -5.918 1.00 0.00 O ATOM 0 H GLU A 39 -6.422 7.026 -1.160 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.441 4.254 -1.388 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.383 6.593 -3.320 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.590 5.055 -3.602 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.820 3.922 -3.442 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.575 5.494 -3.273 1.00 0.00 H new ATOM 640 N ALA A 40 -2.980 4.874 -1.244 1.00 0.00 N ATOM 641 CA ALA A 40 -1.611 5.198 -0.907 1.00 0.00 C ATOM 642 C ALA A 40 -0.700 4.843 -2.067 1.00 0.00 C ATOM 643 O ALA A 40 -0.936 3.855 -2.769 1.00 0.00 O ATOM 644 CB ALA A 40 -1.181 4.468 0.359 1.00 0.00 C ATOM 0 H ALA A 40 -3.122 3.914 -1.557 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.538 6.269 -0.717 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.148 4.726 0.595 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.826 4.763 1.186 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.260 3.392 0.203 1.00 0.00 H new ATOM 650 N SER A 41 0.324 5.644 -2.283 1.00 0.00 N ATOM 651 CA SER A 41 1.272 5.369 -3.339 1.00 0.00 C ATOM 652 C SER A 41 2.450 4.595 -2.775 1.00 0.00 C ATOM 653 O SER A 41 3.073 5.013 -1.794 1.00 0.00 O ATOM 654 CB SER A 41 1.735 6.665 -4.009 1.00 0.00 C ATOM 655 OG SER A 41 2.264 7.580 -3.065 1.00 0.00 O ATOM 0 H SER A 41 0.519 6.487 -1.743 1.00 0.00 H new ATOM 0 HA SER A 41 0.786 4.763 -4.103 1.00 0.00 H new ATOM 0 HB2 SER A 41 2.492 6.437 -4.759 1.00 0.00 H new ATOM 0 HB3 SER A 41 0.896 7.125 -4.532 1.00 0.00 H new ATOM 0 HG SER A 41 2.552 8.396 -3.526 1.00 0.00 H new ATOM 661 N PHE A 42 2.731 3.456 -3.376 1.00 0.00 N ATOM 662 CA PHE A 42 3.807 2.606 -2.917 1.00 0.00 C ATOM 663 C PHE A 42 5.015 2.763 -3.818 1.00 0.00 C ATOM 664 O PHE A 42 4.962 2.472 -5.018 1.00 0.00 O ATOM 665 CB PHE A 42 3.354 1.145 -2.865 1.00 0.00 C ATOM 666 CG PHE A 42 2.250 0.898 -1.874 1.00 0.00 C ATOM 667 CD1 PHE A 42 0.923 1.008 -2.253 1.00 0.00 C ATOM 668 CD2 PHE A 42 2.541 0.561 -0.562 1.00 0.00 C ATOM 669 CE1 PHE A 42 -0.093 0.786 -1.342 1.00 0.00 C ATOM 670 CE2 PHE A 42 1.528 0.339 0.352 1.00 0.00 C ATOM 671 CZ PHE A 42 0.210 0.452 -0.039 1.00 0.00 C ATOM 0 H PHE A 42 2.226 3.098 -4.187 1.00 0.00 H new ATOM 0 HA PHE A 42 4.086 2.908 -1.908 1.00 0.00 H new ATOM 0 HB2 PHE A 42 3.017 0.841 -3.856 1.00 0.00 H new ATOM 0 HB3 PHE A 42 4.208 0.516 -2.611 1.00 0.00 H new ATOM 0 HD1 PHE A 42 0.679 1.270 -3.272 1.00 0.00 H new ATOM 0 HD2 PHE A 42 3.571 0.471 -0.250 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -1.124 0.874 -1.651 1.00 0.00 H new ATOM 0 HE2 PHE A 42 1.768 0.077 1.372 1.00 0.00 H new ATOM 0 HZ PHE A 42 -0.583 0.279 0.674 1.00 0.00 H new ATOM 681 N LYS A 43 6.095 3.234 -3.225 1.00 0.00 N ATOM 682 CA LYS A 43 7.324 3.502 -3.941 1.00 0.00 C ATOM 683 C LYS A 43 8.255 2.302 -3.827 1.00 0.00 C ATOM 684 O LYS A 43 8.693 1.946 -2.731 1.00 0.00 O ATOM 685 CB LYS A 43 7.995 4.750 -3.359 1.00 0.00 C ATOM 686 CG LYS A 43 9.210 5.231 -4.137 1.00 0.00 C ATOM 687 CD LYS A 43 9.986 6.285 -3.357 1.00 0.00 C ATOM 688 CE LYS A 43 9.162 7.542 -3.091 1.00 0.00 C ATOM 689 NZ LYS A 43 8.865 8.302 -4.336 1.00 0.00 N ATOM 0 H LYS A 43 6.143 3.442 -2.228 1.00 0.00 H new ATOM 0 HA LYS A 43 7.102 3.678 -4.994 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.262 5.556 -3.318 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.296 4.541 -2.332 1.00 0.00 H new ATOM 0 HG2 LYS A 43 9.862 4.385 -4.357 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.891 5.645 -5.094 1.00 0.00 H new ATOM 0 HD2 LYS A 43 10.313 5.862 -2.407 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.884 6.555 -3.912 1.00 0.00 H new ATOM 0 HE2 LYS A 43 8.226 7.263 -2.607 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.701 8.186 -2.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 9.294 9.248 -4.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 9.258 7.795 -5.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 7.835 8.395 -4.449 1.00 0.00 H new ATOM 703 N PRO A 44 8.536 1.641 -4.954 1.00 0.00 N ATOM 704 CA PRO A 44 9.421 0.483 -4.981 1.00 0.00 C ATOM 705 C PRO A 44 10.881 0.883 -4.826 1.00 0.00 C ATOM 706 O PRO A 44 11.372 1.767 -5.533 1.00 0.00 O ATOM 707 CB PRO A 44 9.168 -0.125 -6.363 1.00 0.00 C ATOM 708 CG PRO A 44 8.723 1.017 -7.210 1.00 0.00 C ATOM 709 CD PRO A 44 8.007 1.971 -6.291 1.00 0.00 C ATOM 0 HA PRO A 44 9.225 -0.208 -4.161 1.00 0.00 H new ATOM 0 HB2 PRO A 44 10.071 -0.585 -6.763 1.00 0.00 H new ATOM 0 HB3 PRO A 44 8.407 -0.904 -6.318 1.00 0.00 H new ATOM 0 HG2 PRO A 44 9.575 1.502 -7.687 1.00 0.00 H new ATOM 0 HG3 PRO A 44 8.063 0.676 -8.007 1.00 0.00 H new ATOM 0 HD2 PRO A 44 8.210 3.009 -6.556 1.00 0.00 H new ATOM 0 HD3 PRO A 44 6.926 1.835 -6.338 1.00 0.00 H new ATOM 717 N LEU A 45 11.564 0.248 -3.886 1.00 0.00 N ATOM 718 CA LEU A 45 12.984 0.484 -3.678 1.00 0.00 C ATOM 719 C LEU A 45 13.752 0.066 -4.921 1.00 0.00 C ATOM 720 O LEU A 45 14.551 0.830 -5.469 1.00 0.00 O ATOM 721 CB LEU A 45 13.477 -0.308 -2.465 1.00 0.00 C ATOM 722 CG LEU A 45 12.776 0.013 -1.145 1.00 0.00 C ATOM 723 CD1 LEU A 45 13.148 -1.009 -0.086 1.00 0.00 C ATOM 724 CD2 LEU A 45 13.135 1.415 -0.679 1.00 0.00 C ATOM 0 H LEU A 45 11.155 -0.438 -3.252 1.00 0.00 H new ATOM 0 HA LEU A 45 13.149 1.545 -3.491 1.00 0.00 H new ATOM 0 HB2 LEU A 45 13.356 -1.371 -2.672 1.00 0.00 H new ATOM 0 HB3 LEU A 45 14.545 -0.127 -2.343 1.00 0.00 H new ATOM 0 HG LEU A 45 11.699 -0.032 -1.306 1.00 0.00 H new ATOM 0 HD11 LEU A 45 12.641 -0.766 0.848 1.00 0.00 H new ATOM 0 HD12 LEU A 45 12.844 -2.002 -0.416 1.00 0.00 H new ATOM 0 HD13 LEU A 45 14.226 -0.993 0.072 1.00 0.00 H new ATOM 0 HD21 LEU A 45 12.627 1.627 0.262 1.00 0.00 H new ATOM 0 HD22 LEU A 45 14.213 1.485 -0.533 1.00 0.00 H new ATOM 0 HD23 LEU A 45 12.822 2.140 -1.431 1.00 0.00 H new ATOM 736 N ASN A 46 13.487 -1.152 -5.369 1.00 0.00 N ATOM 737 CA ASN A 46 14.087 -1.665 -6.590 1.00 0.00 C ATOM 738 C ASN A 46 13.173 -1.378 -7.776 1.00 0.00 C ATOM 739 O ASN A 46 12.201 -2.098 -8.009 1.00 0.00 O ATOM 740 CB ASN A 46 14.340 -3.176 -6.484 1.00 0.00 C ATOM 741 CG ASN A 46 15.276 -3.546 -5.348 1.00 0.00 C ATOM 742 OD1 ASN A 46 16.155 -2.774 -4.969 1.00 0.00 O ATOM 743 ND2 ASN A 46 15.094 -4.737 -4.795 1.00 0.00 N ATOM 0 H ASN A 46 12.858 -1.805 -4.903 1.00 0.00 H new ATOM 0 HA ASN A 46 15.044 -1.165 -6.738 1.00 0.00 H new ATOM 0 HB2 ASN A 46 13.388 -3.688 -6.344 1.00 0.00 H new ATOM 0 HB3 ASN A 46 14.760 -3.535 -7.424 1.00 0.00 H new ATOM 0 HD21 ASN A 46 15.694 -5.040 -4.028 1.00 0.00 H new ATOM 0 HD22 ASN A 46 14.354 -5.350 -5.137 1.00 0.00 H new ATOM 750 N GLY A 47 13.462 -0.308 -8.499 1.00 0.00 N ATOM 751 CA GLY A 47 12.672 0.026 -9.668 1.00 0.00 C ATOM 752 C GLY A 47 12.204 1.465 -9.662 1.00 0.00 C ATOM 753 O GLY A 47 12.838 2.327 -9.050 1.00 0.00 O ATOM 0 H GLY A 47 14.228 0.335 -8.299 1.00 0.00 H new ATOM 0 HA2 GLY A 47 13.263 -0.156 -10.566 1.00 0.00 H new ATOM 0 HA3 GLY A 47 11.806 -0.634 -9.717 1.00 0.00 H new ATOM 757 N GLY A 48 11.089 1.724 -10.333 1.00 0.00 N ATOM 758 CA GLY A 48 10.556 3.068 -10.411 1.00 0.00 C ATOM 759 C GLY A 48 9.055 3.067 -10.593 1.00 0.00 C ATOM 760 O GLY A 48 8.451 1.996 -10.704 1.00 0.00 O ATOM 0 H GLY A 48 10.541 1.020 -10.828 1.00 0.00 H new ATOM 0 HA2 GLY A 48 10.812 3.614 -9.503 1.00 0.00 H new ATOM 0 HA3 GLY A 48 11.023 3.596 -11.242 1.00 0.00 H new ATOM 764 N LEU A 49 8.464 4.265 -10.636 1.00 0.00 N ATOM 765 CA LEU A 49 7.016 4.445 -10.761 1.00 0.00 C ATOM 766 C LEU A 49 6.285 3.968 -9.509 1.00 0.00 C ATOM 767 O LEU A 49 6.448 2.832 -9.062 1.00 0.00 O ATOM 768 CB LEU A 49 6.471 3.733 -12.004 1.00 0.00 C ATOM 769 CG LEU A 49 6.981 4.282 -13.339 1.00 0.00 C ATOM 770 CD1 LEU A 49 6.491 3.422 -14.491 1.00 0.00 C ATOM 771 CD2 LEU A 49 6.538 5.726 -13.524 1.00 0.00 C ATOM 0 H LEU A 49 8.981 5.143 -10.585 1.00 0.00 H new ATOM 0 HA LEU A 49 6.833 5.514 -10.873 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.728 2.676 -11.941 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.383 3.797 -11.994 1.00 0.00 H new ATOM 0 HG LEU A 49 8.071 4.254 -13.330 1.00 0.00 H new ATOM 0 HD11 LEU A 49 6.863 3.827 -15.432 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.856 2.403 -14.365 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.401 3.418 -14.504 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.909 6.101 -14.478 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.449 5.777 -13.513 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.938 6.336 -12.714 1.00 0.00 H new ATOM 783 N GLU A 50 5.473 4.844 -8.948 1.00 0.00 N ATOM 784 CA GLU A 50 4.752 4.535 -7.726 1.00 0.00 C ATOM 785 C GLU A 50 3.373 3.987 -8.038 1.00 0.00 C ATOM 786 O GLU A 50 2.571 4.633 -8.713 1.00 0.00 O ATOM 787 CB GLU A 50 4.634 5.768 -6.834 1.00 0.00 C ATOM 788 CG GLU A 50 5.950 6.192 -6.216 1.00 0.00 C ATOM 789 CD GLU A 50 5.784 7.327 -5.234 1.00 0.00 C ATOM 790 OE1 GLU A 50 5.010 7.172 -4.269 1.00 0.00 O ATOM 791 OE2 GLU A 50 6.455 8.366 -5.408 1.00 0.00 O ATOM 0 H GLU A 50 5.295 5.777 -9.319 1.00 0.00 H new ATOM 0 HA GLU A 50 5.319 3.773 -7.191 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.234 6.595 -7.421 1.00 0.00 H new ATOM 0 HB3 GLU A 50 3.917 5.565 -6.039 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.402 5.339 -5.709 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.638 6.495 -7.005 1.00 0.00 H new ATOM 798 N LYS A 51 3.105 2.792 -7.547 1.00 0.00 N ATOM 799 CA LYS A 51 1.816 2.162 -7.755 1.00 0.00 C ATOM 800 C LYS A 51 0.855 2.573 -6.651 1.00 0.00 C ATOM 801 O LYS A 51 1.120 2.357 -5.469 1.00 0.00 O ATOM 802 CB LYS A 51 1.957 0.639 -7.806 1.00 0.00 C ATOM 803 CG LYS A 51 2.664 0.130 -9.055 1.00 0.00 C ATOM 804 CD LYS A 51 2.733 -1.391 -9.080 1.00 0.00 C ATOM 805 CE LYS A 51 3.719 -1.930 -8.055 1.00 0.00 C ATOM 806 NZ LYS A 51 5.132 -1.725 -8.477 1.00 0.00 N ATOM 0 H LYS A 51 3.764 2.238 -7.001 1.00 0.00 H new ATOM 0 HA LYS A 51 1.416 2.494 -8.713 1.00 0.00 H new ATOM 0 HB2 LYS A 51 2.507 0.304 -6.926 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.966 0.189 -7.752 1.00 0.00 H new ATOM 0 HG2 LYS A 51 2.139 0.485 -9.941 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.673 0.541 -9.096 1.00 0.00 H new ATOM 0 HD2 LYS A 51 1.743 -1.803 -8.883 1.00 0.00 H new ATOM 0 HD3 LYS A 51 3.025 -1.725 -10.076 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.552 -1.437 -7.097 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.537 -2.994 -7.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.768 -2.181 -7.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 5.278 -2.144 -9.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 5.338 -0.706 -8.516 1.00 0.00 H new ATOM 820 N THR A 52 -0.246 3.191 -7.041 1.00 0.00 N ATOM 821 CA THR A 52 -1.238 3.653 -6.091 1.00 0.00 C ATOM 822 C THR A 52 -2.320 2.593 -5.906 1.00 0.00 C ATOM 823 O THR A 52 -2.984 2.198 -6.866 1.00 0.00 O ATOM 824 CB THR A 52 -1.871 4.969 -6.577 1.00 0.00 C ATOM 825 OG1 THR A 52 -0.843 5.839 -7.072 1.00 0.00 O ATOM 826 CG2 THR A 52 -2.623 5.665 -5.455 1.00 0.00 C ATOM 0 H THR A 52 -0.475 3.385 -8.016 1.00 0.00 H new ATOM 0 HA THR A 52 -0.747 3.831 -5.134 1.00 0.00 H new ATOM 0 HB THR A 52 -2.580 4.735 -7.371 1.00 0.00 H new ATOM 0 HG1 THR A 52 -1.245 6.677 -7.383 1.00 0.00 H new ATOM 0 HG21 THR A 52 -3.059 6.591 -5.829 1.00 0.00 H new ATOM 0 HG22 THR A 52 -3.416 5.013 -5.089 1.00 0.00 H new ATOM 0 HG23 THR A 52 -1.934 5.891 -4.641 1.00 0.00 H new ATOM 834 N PHE A 53 -2.483 2.122 -4.683 1.00 0.00 N ATOM 835 CA PHE A 53 -3.452 1.076 -4.403 1.00 0.00 C ATOM 836 C PHE A 53 -4.539 1.570 -3.461 1.00 0.00 C ATOM 837 O PHE A 53 -4.300 2.442 -2.623 1.00 0.00 O ATOM 838 CB PHE A 53 -2.765 -0.157 -3.812 1.00 0.00 C ATOM 839 CG PHE A 53 -1.904 -0.902 -4.794 1.00 0.00 C ATOM 840 CD1 PHE A 53 -2.480 -1.667 -5.796 1.00 0.00 C ATOM 841 CD2 PHE A 53 -0.523 -0.845 -4.712 1.00 0.00 C ATOM 842 CE1 PHE A 53 -1.694 -2.359 -6.697 1.00 0.00 C ATOM 843 CE2 PHE A 53 0.268 -1.535 -5.609 1.00 0.00 C ATOM 844 CZ PHE A 53 -0.318 -2.293 -6.603 1.00 0.00 C ATOM 0 H PHE A 53 -1.959 2.445 -3.870 1.00 0.00 H new ATOM 0 HA PHE A 53 -3.918 0.798 -5.348 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -2.151 0.151 -2.966 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -3.526 -0.834 -3.424 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -3.556 -1.723 -5.873 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.059 -0.253 -3.937 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.155 -2.951 -7.474 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.344 -1.482 -5.533 1.00 0.00 H new ATOM 0 HZ PHE A 53 0.299 -2.833 -7.306 1.00 0.00 H new ATOM 854 N ARG A 54 -5.727 0.999 -3.616 1.00 0.00 N ATOM 855 CA ARG A 54 -6.885 1.359 -2.806 1.00 0.00 C ATOM 856 C ARG A 54 -6.752 0.793 -1.397 1.00 0.00 C ATOM 857 O ARG A 54 -6.309 -0.343 -1.215 1.00 0.00 O ATOM 858 CB ARG A 54 -8.166 0.825 -3.460 1.00 0.00 C ATOM 859 CG ARG A 54 -8.167 -0.690 -3.625 1.00 0.00 C ATOM 860 CD ARG A 54 -9.471 -1.209 -4.205 1.00 0.00 C ATOM 861 NE ARG A 54 -9.462 -2.672 -4.301 1.00 0.00 N ATOM 862 CZ ARG A 54 -10.425 -3.402 -4.866 1.00 0.00 C ATOM 863 NH1 ARG A 54 -11.495 -2.819 -5.399 1.00 0.00 N ATOM 864 NH2 ARG A 54 -10.313 -4.725 -4.887 1.00 0.00 N ATOM 0 H ARG A 54 -5.915 0.273 -4.307 1.00 0.00 H new ATOM 0 HA ARG A 54 -6.937 2.446 -2.742 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -9.025 1.119 -2.856 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -8.289 1.291 -4.438 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -7.342 -0.982 -4.275 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -7.992 -1.158 -2.656 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -10.304 -0.888 -3.579 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -9.630 -0.778 -5.193 1.00 0.00 H new ATOM 0 HE ARG A 54 -8.662 -3.167 -3.907 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -11.586 -1.803 -5.379 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -12.225 -3.388 -5.828 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -9.496 -5.174 -4.473 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -11.044 -5.292 -5.317 1.00 0.00 H new ATOM 878 N LEU A 55 -7.127 1.585 -0.407 1.00 0.00 N ATOM 879 CA LEU A 55 -7.106 1.142 0.975 1.00 0.00 C ATOM 880 C LEU A 55 -8.446 1.418 1.642 1.00 0.00 C ATOM 881 O LEU A 55 -9.122 2.398 1.329 1.00 0.00 O ATOM 882 CB LEU A 55 -5.997 1.850 1.761 1.00 0.00 C ATOM 883 CG LEU A 55 -4.575 1.635 1.243 1.00 0.00 C ATOM 884 CD1 LEU A 55 -3.602 2.528 1.990 1.00 0.00 C ATOM 885 CD2 LEU A 55 -4.168 0.178 1.381 1.00 0.00 C ATOM 0 H LEU A 55 -7.451 2.543 -0.537 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.912 0.069 0.976 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.205 2.920 1.763 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.041 1.515 2.797 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.551 1.899 0.186 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.593 2.364 1.611 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -3.880 3.572 1.843 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.633 2.290 3.053 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.153 0.047 1.007 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.208 -0.113 2.431 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.851 -0.447 0.805 1.00 0.00 H new ATOM 897 N GLN A 56 -8.836 0.542 2.547 1.00 0.00 N ATOM 898 CA GLN A 56 -10.026 0.764 3.347 1.00 0.00 C ATOM 899 C GLN A 56 -9.625 1.471 4.639 1.00 0.00 C ATOM 900 O GLN A 56 -8.444 1.501 4.979 1.00 0.00 O ATOM 901 CB GLN A 56 -10.717 -0.565 3.658 1.00 0.00 C ATOM 902 CG GLN A 56 -12.133 -0.408 4.188 1.00 0.00 C ATOM 903 CD GLN A 56 -12.738 -1.723 4.629 1.00 0.00 C ATOM 904 OE1 GLN A 56 -12.391 -2.784 4.114 1.00 0.00 O ATOM 905 NE2 GLN A 56 -13.654 -1.661 5.580 1.00 0.00 N ATOM 0 H GLN A 56 -8.347 -0.330 2.747 1.00 0.00 H new ATOM 0 HA GLN A 56 -10.729 1.386 2.792 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -10.742 -1.172 2.753 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -10.123 -1.111 4.391 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -12.127 0.285 5.029 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -12.760 0.035 3.414 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -13.913 -0.759 5.981 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -14.102 -2.515 5.913 1.00 0.00 H new ATOM 914 N ALA A 57 -10.599 2.026 5.359 1.00 0.00 N ATOM 915 CA ALA A 57 -10.336 2.720 6.622 1.00 0.00 C ATOM 916 C ALA A 57 -9.517 1.854 7.582 1.00 0.00 C ATOM 917 O ALA A 57 -8.680 2.363 8.327 1.00 0.00 O ATOM 918 CB ALA A 57 -11.647 3.138 7.273 1.00 0.00 C ATOM 0 H ALA A 57 -11.582 2.009 5.089 1.00 0.00 H new ATOM 0 HA ALA A 57 -9.748 3.610 6.398 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -11.440 3.653 8.211 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -12.188 3.807 6.604 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -12.253 2.254 7.471 1.00 0.00 H new ATOM 924 N GLN A 58 -9.756 0.546 7.549 1.00 0.00 N ATOM 925 CA GLN A 58 -9.008 -0.398 8.375 1.00 0.00 C ATOM 926 C GLN A 58 -7.525 -0.361 8.017 1.00 0.00 C ATOM 927 O GLN A 58 -6.673 -0.132 8.874 1.00 0.00 O ATOM 928 CB GLN A 58 -9.549 -1.815 8.174 1.00 0.00 C ATOM 929 CG GLN A 58 -11.033 -1.953 8.466 1.00 0.00 C ATOM 930 CD GLN A 58 -11.558 -3.338 8.143 1.00 0.00 C ATOM 931 OE1 GLN A 58 -11.051 -4.014 7.248 1.00 0.00 O ATOM 932 NE2 GLN A 58 -12.581 -3.767 8.861 1.00 0.00 N ATOM 0 H GLN A 58 -10.465 0.114 6.956 1.00 0.00 H new ATOM 0 HA GLN A 58 -9.127 -0.111 9.420 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -9.361 -2.123 7.146 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -8.997 -2.499 8.818 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -11.216 -1.734 9.518 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -11.585 -1.213 7.886 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -12.973 -3.176 9.594 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -12.979 -4.689 8.682 1.00 0.00 H new ATOM 941 N GLN A 59 -7.236 -0.564 6.735 1.00 0.00 N ATOM 942 CA GLN A 59 -5.865 -0.574 6.234 1.00 0.00 C ATOM 943 C GLN A 59 -5.211 0.789 6.419 1.00 0.00 C ATOM 944 O GLN A 59 -4.046 0.884 6.793 1.00 0.00 O ATOM 945 CB GLN A 59 -5.861 -0.955 4.754 1.00 0.00 C ATOM 946 CG GLN A 59 -6.318 -2.380 4.485 1.00 0.00 C ATOM 947 CD GLN A 59 -6.670 -2.605 3.028 1.00 0.00 C ATOM 948 OE1 GLN A 59 -7.150 -1.697 2.352 1.00 0.00 O ATOM 949 NE2 GLN A 59 -6.431 -3.806 2.530 1.00 0.00 N ATOM 0 H GLN A 59 -7.942 -0.726 6.017 1.00 0.00 H new ATOM 0 HA GLN A 59 -5.294 -1.309 6.801 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -6.508 -0.267 4.210 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -4.854 -0.826 4.358 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -5.530 -3.074 4.777 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -7.186 -2.604 5.105 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -6.032 -4.534 3.123 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -6.646 -4.005 1.553 1.00 0.00 H new ATOM 958 N TYR A 60 -5.987 1.834 6.173 1.00 0.00 N ATOM 959 CA TYR A 60 -5.522 3.211 6.303 1.00 0.00 C ATOM 960 C TYR A 60 -5.016 3.501 7.720 1.00 0.00 C ATOM 961 O TYR A 60 -4.066 4.255 7.908 1.00 0.00 O ATOM 962 CB TYR A 60 -6.671 4.155 5.932 1.00 0.00 C ATOM 963 CG TYR A 60 -6.419 5.620 6.204 1.00 0.00 C ATOM 964 CD1 TYR A 60 -5.483 6.337 5.474 1.00 0.00 C ATOM 965 CD2 TYR A 60 -7.147 6.291 7.179 1.00 0.00 C ATOM 966 CE1 TYR A 60 -5.277 7.683 5.709 1.00 0.00 C ATOM 967 CE2 TYR A 60 -6.944 7.634 7.424 1.00 0.00 C ATOM 968 CZ TYR A 60 -6.009 8.325 6.685 1.00 0.00 C ATOM 969 OH TYR A 60 -5.816 9.665 6.915 1.00 0.00 O ATOM 0 H TYR A 60 -6.960 1.753 5.877 1.00 0.00 H new ATOM 0 HA TYR A 60 -4.682 3.369 5.627 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -6.892 4.032 4.872 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -7.562 3.849 6.480 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -4.906 5.836 4.710 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -7.885 5.752 7.755 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -4.546 8.229 5.131 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -7.514 8.140 8.189 1.00 0.00 H new ATOM 0 HH TYR A 60 -6.411 9.962 7.634 1.00 0.00 H new ATOM 979 N HIS A 61 -5.653 2.896 8.712 1.00 0.00 N ATOM 980 CA HIS A 61 -5.239 3.072 10.098 1.00 0.00 C ATOM 981 C HIS A 61 -4.163 2.049 10.468 1.00 0.00 C ATOM 982 O HIS A 61 -3.407 2.242 11.420 1.00 0.00 O ATOM 983 CB HIS A 61 -6.455 2.941 11.027 1.00 0.00 C ATOM 984 CG HIS A 61 -6.171 3.247 12.470 1.00 0.00 C ATOM 985 ND1 HIS A 61 -6.250 4.515 13.005 1.00 0.00 N ATOM 986 CD2 HIS A 61 -5.828 2.430 13.495 1.00 0.00 C ATOM 987 CE1 HIS A 61 -5.964 4.464 14.295 1.00 0.00 C ATOM 988 NE2 HIS A 61 -5.707 3.212 14.612 1.00 0.00 N ATOM 0 H HIS A 61 -6.456 2.280 8.585 1.00 0.00 H new ATOM 0 HA HIS A 61 -4.814 4.069 10.217 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -7.240 3.610 10.674 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -6.845 1.926 10.954 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -5.678 1.362 13.441 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -5.945 5.305 14.972 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -5.457 2.878 15.543 1.00 0.00 H new ATOM 997 N ALA A 62 -4.087 0.976 9.694 1.00 0.00 N ATOM 998 CA ALA A 62 -3.150 -0.111 9.961 1.00 0.00 C ATOM 999 C ALA A 62 -1.746 0.224 9.463 1.00 0.00 C ATOM 1000 O ALA A 62 -0.749 -0.078 10.126 1.00 0.00 O ATOM 1001 CB ALA A 62 -3.644 -1.394 9.309 1.00 0.00 C ATOM 0 H ALA A 62 -4.668 0.833 8.868 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.096 -0.250 11.041 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -2.939 -2.200 9.513 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.622 -1.655 9.714 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -3.725 -1.247 8.232 1.00 0.00 H new ATOM 1007 N LEU A 63 -1.668 0.828 8.289 1.00 0.00 N ATOM 1008 CA LEU A 63 -0.386 1.192 7.711 1.00 0.00 C ATOM 1009 C LEU A 63 -0.186 2.699 7.778 1.00 0.00 C ATOM 1010 O LEU A 63 -1.149 3.464 7.797 1.00 0.00 O ATOM 1011 CB LEU A 63 -0.276 0.667 6.272 1.00 0.00 C ATOM 1012 CG LEU A 63 -1.370 1.125 5.300 1.00 0.00 C ATOM 1013 CD1 LEU A 63 -0.924 2.350 4.516 1.00 0.00 C ATOM 1014 CD2 LEU A 63 -1.749 -0.005 4.356 1.00 0.00 C ATOM 0 H LEU A 63 -2.476 1.076 7.718 1.00 0.00 H new ATOM 0 HA LEU A 63 0.410 0.726 8.291 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.690 0.971 5.869 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.279 -0.423 6.303 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.249 1.400 5.883 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.718 2.654 3.834 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.707 3.165 5.207 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.027 2.110 3.945 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.527 0.337 3.673 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.873 -0.311 3.784 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.120 -0.852 4.933 1.00 0.00 H new ATOM 1026 N THR A 64 1.064 3.120 7.836 1.00 0.00 N ATOM 1027 CA THR A 64 1.380 4.526 8.006 1.00 0.00 C ATOM 1028 C THR A 64 2.149 5.058 6.799 1.00 0.00 C ATOM 1029 O THR A 64 2.865 4.315 6.132 1.00 0.00 O ATOM 1030 CB THR A 64 2.221 4.737 9.284 1.00 0.00 C ATOM 1031 OG1 THR A 64 1.634 4.017 10.377 1.00 0.00 O ATOM 1032 CG2 THR A 64 2.316 6.210 9.650 1.00 0.00 C ATOM 0 H THR A 64 1.877 2.508 7.768 1.00 0.00 H new ATOM 0 HA THR A 64 0.441 5.073 8.097 1.00 0.00 H new ATOM 0 HB THR A 64 3.226 4.365 9.086 1.00 0.00 H new ATOM 0 HG1 THR A 64 2.172 4.153 11.185 1.00 0.00 H new ATOM 0 HG21 THR A 64 2.915 6.322 10.554 1.00 0.00 H new ATOM 0 HG22 THR A 64 2.786 6.758 8.833 1.00 0.00 H new ATOM 0 HG23 THR A 64 1.316 6.607 9.825 1.00 0.00 H new ATOM 1040 N VAL A 65 1.982 6.338 6.502 1.00 0.00 N ATOM 1041 CA VAL A 65 2.797 6.987 5.491 1.00 0.00 C ATOM 1042 C VAL A 65 4.241 7.074 5.977 1.00 0.00 C ATOM 1043 O VAL A 65 4.529 7.689 7.004 1.00 0.00 O ATOM 1044 CB VAL A 65 2.251 8.387 5.138 1.00 0.00 C ATOM 1045 CG1 VAL A 65 3.286 9.207 4.385 1.00 0.00 C ATOM 1046 CG2 VAL A 65 0.984 8.252 4.309 1.00 0.00 C ATOM 0 H VAL A 65 1.292 6.944 6.946 1.00 0.00 H new ATOM 0 HA VAL A 65 2.761 6.388 4.581 1.00 0.00 H new ATOM 0 HB VAL A 65 2.021 8.909 6.067 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.872 10.188 4.150 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.175 9.327 5.004 1.00 0.00 H new ATOM 0 HG13 VAL A 65 3.553 8.695 3.461 1.00 0.00 H new ATOM 0 HG21 VAL A 65 0.603 9.243 4.063 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.207 7.710 3.390 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.233 7.706 4.879 1.00 0.00 H new ATOM 1056 N GLY A 66 5.137 6.439 5.240 1.00 0.00 N ATOM 1057 CA GLY A 66 6.514 6.325 5.669 1.00 0.00 C ATOM 1058 C GLY A 66 6.818 4.942 6.204 1.00 0.00 C ATOM 1059 O GLY A 66 7.959 4.632 6.553 1.00 0.00 O ATOM 0 H GLY A 66 4.933 5.997 4.344 1.00 0.00 H new ATOM 0 HA2 GLY A 66 7.176 6.546 4.832 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.718 7.067 6.441 1.00 0.00 H new ATOM 1063 N ASP A 67 5.791 4.106 6.274 1.00 0.00 N ATOM 1064 CA ASP A 67 5.947 2.743 6.760 1.00 0.00 C ATOM 1065 C ASP A 67 6.617 1.888 5.696 1.00 0.00 C ATOM 1066 O ASP A 67 5.964 1.394 4.777 1.00 0.00 O ATOM 1067 CB ASP A 67 4.587 2.150 7.141 1.00 0.00 C ATOM 1068 CG ASP A 67 4.683 0.834 7.892 1.00 0.00 C ATOM 1069 OD1 ASP A 67 5.791 0.264 7.988 1.00 0.00 O ATOM 1070 OD2 ASP A 67 3.641 0.375 8.410 1.00 0.00 O ATOM 0 H ASP A 67 4.839 4.349 6.000 1.00 0.00 H new ATOM 0 HA ASP A 67 6.576 2.758 7.650 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.046 2.870 7.755 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.000 1.999 6.235 1.00 0.00 H new ATOM 1075 N GLN A 68 7.931 1.786 5.787 1.00 0.00 N ATOM 1076 CA GLN A 68 8.688 0.908 4.912 1.00 0.00 C ATOM 1077 C GLN A 68 8.490 -0.543 5.339 1.00 0.00 C ATOM 1078 O GLN A 68 8.955 -0.955 6.404 1.00 0.00 O ATOM 1079 CB GLN A 68 10.172 1.277 4.952 1.00 0.00 C ATOM 1080 CG GLN A 68 10.442 2.728 4.577 1.00 0.00 C ATOM 1081 CD GLN A 68 11.900 3.115 4.733 1.00 0.00 C ATOM 1082 OE1 GLN A 68 12.607 2.596 5.599 1.00 0.00 O ATOM 1083 NE2 GLN A 68 12.362 4.032 3.897 1.00 0.00 N ATOM 0 H GLN A 68 8.498 2.302 6.460 1.00 0.00 H new ATOM 0 HA GLN A 68 8.329 1.027 3.890 1.00 0.00 H new ATOM 0 HB2 GLN A 68 10.559 1.090 5.954 1.00 0.00 H new ATOM 0 HB3 GLN A 68 10.720 0.625 4.272 1.00 0.00 H new ATOM 0 HG2 GLN A 68 10.135 2.894 3.544 1.00 0.00 H new ATOM 0 HG3 GLN A 68 9.829 3.379 5.200 1.00 0.00 H new ATOM 0 HE21 GLN A 68 11.745 4.438 3.194 1.00 0.00 H new ATOM 0 HE22 GLN A 68 13.335 4.332 3.956 1.00 0.00 H new ATOM 1092 N GLY A 69 7.800 -1.314 4.516 1.00 0.00 N ATOM 1093 CA GLY A 69 7.477 -2.674 4.886 1.00 0.00 C ATOM 1094 C GLY A 69 7.101 -3.525 3.699 1.00 0.00 C ATOM 1095 O GLY A 69 7.238 -3.099 2.552 1.00 0.00 O ATOM 0 H GLY A 69 7.458 -1.023 3.600 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.332 -3.121 5.393 1.00 0.00 H new ATOM 0 HA3 GLY A 69 6.652 -2.666 5.599 1.00 0.00 H new ATOM 1099 N THR A 70 6.613 -4.720 3.975 1.00 0.00 N ATOM 1100 CA THR A 70 6.330 -5.693 2.937 1.00 0.00 C ATOM 1101 C THR A 70 4.925 -5.529 2.368 1.00 0.00 C ATOM 1102 O THR A 70 3.969 -5.268 3.097 1.00 0.00 O ATOM 1103 CB THR A 70 6.506 -7.119 3.480 1.00 0.00 C ATOM 1104 OG1 THR A 70 6.094 -7.167 4.856 1.00 0.00 O ATOM 1105 CG2 THR A 70 7.953 -7.571 3.354 1.00 0.00 C ATOM 0 H THR A 70 6.403 -5.042 4.920 1.00 0.00 H new ATOM 0 HA THR A 70 7.040 -5.519 2.129 1.00 0.00 H new ATOM 0 HB THR A 70 5.885 -7.794 2.891 1.00 0.00 H new ATOM 0 HG1 THR A 70 5.310 -6.593 4.983 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.053 -8.584 3.745 1.00 0.00 H new ATOM 0 HG22 THR A 70 8.249 -7.556 2.305 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.595 -6.898 3.922 1.00 0.00 H new ATOM 1113 N LEU A 71 4.806 -5.695 1.063 1.00 0.00 N ATOM 1114 CA LEU A 71 3.525 -5.584 0.388 1.00 0.00 C ATOM 1115 C LEU A 71 3.155 -6.913 -0.255 1.00 0.00 C ATOM 1116 O LEU A 71 3.953 -7.501 -0.980 1.00 0.00 O ATOM 1117 CB LEU A 71 3.588 -4.481 -0.671 1.00 0.00 C ATOM 1118 CG LEU A 71 2.303 -4.262 -1.474 1.00 0.00 C ATOM 1119 CD1 LEU A 71 1.159 -3.872 -0.554 1.00 0.00 C ATOM 1120 CD2 LEU A 71 2.516 -3.200 -2.544 1.00 0.00 C ATOM 0 H LEU A 71 5.588 -5.909 0.445 1.00 0.00 H new ATOM 0 HA LEU A 71 2.759 -5.326 1.120 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.852 -3.545 -0.180 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.394 -4.715 -1.366 1.00 0.00 H new ATOM 0 HG LEU A 71 2.042 -5.198 -1.967 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.254 -3.721 -1.143 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.990 -4.666 0.173 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.411 -2.949 -0.032 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.592 -3.058 -3.105 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.802 -2.260 -2.072 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.306 -3.521 -3.223 1.00 0.00 H new ATOM 1132 N SER A 72 1.948 -7.380 0.037 1.00 0.00 N ATOM 1133 CA SER A 72 1.447 -8.638 -0.498 1.00 0.00 C ATOM 1134 C SER A 72 0.500 -8.373 -1.663 1.00 0.00 C ATOM 1135 O SER A 72 -0.589 -7.818 -1.477 1.00 0.00 O ATOM 1136 CB SER A 72 0.720 -9.409 0.603 1.00 0.00 C ATOM 1137 OG SER A 72 1.548 -9.571 1.744 1.00 0.00 O ATOM 0 H SER A 72 1.290 -6.898 0.650 1.00 0.00 H new ATOM 0 HA SER A 72 2.286 -9.233 -0.859 1.00 0.00 H new ATOM 0 HB2 SER A 72 -0.190 -8.879 0.883 1.00 0.00 H new ATOM 0 HB3 SER A 72 0.417 -10.386 0.228 1.00 0.00 H new ATOM 0 HG SER A 72 1.015 -9.921 2.488 1.00 0.00 H new ATOM 1143 N TYR A 73 0.918 -8.748 -2.861 1.00 0.00 N ATOM 1144 CA TYR A 73 0.093 -8.559 -4.041 1.00 0.00 C ATOM 1145 C TYR A 73 0.222 -9.745 -4.989 1.00 0.00 C ATOM 1146 O TYR A 73 1.219 -10.468 -4.967 1.00 0.00 O ATOM 1147 CB TYR A 73 0.466 -7.256 -4.760 1.00 0.00 C ATOM 1148 CG TYR A 73 1.922 -7.161 -5.169 1.00 0.00 C ATOM 1149 CD1 TYR A 73 2.880 -6.684 -4.283 1.00 0.00 C ATOM 1150 CD2 TYR A 73 2.339 -7.545 -6.440 1.00 0.00 C ATOM 1151 CE1 TYR A 73 4.209 -6.589 -4.649 1.00 0.00 C ATOM 1152 CE2 TYR A 73 3.667 -7.454 -6.812 1.00 0.00 C ATOM 1153 CZ TYR A 73 4.596 -6.977 -5.913 1.00 0.00 C ATOM 1154 OH TYR A 73 5.921 -6.883 -6.278 1.00 0.00 O ATOM 0 H TYR A 73 1.822 -9.184 -3.041 1.00 0.00 H new ATOM 0 HA TYR A 73 -0.946 -8.490 -3.718 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -0.156 -7.155 -5.650 1.00 0.00 H new ATOM 0 HB3 TYR A 73 0.229 -6.415 -4.108 1.00 0.00 H new ATOM 0 HD1 TYR A 73 2.581 -6.382 -3.290 1.00 0.00 H new ATOM 0 HD2 TYR A 73 1.614 -7.920 -7.147 1.00 0.00 H new ATOM 0 HE1 TYR A 73 4.940 -6.213 -3.948 1.00 0.00 H new ATOM 0 HE2 TYR A 73 3.975 -7.755 -7.802 1.00 0.00 H new ATOM 0 HH TYR A 73 6.029 -7.197 -7.200 1.00 0.00 H new ATOM 1164 N LYS A 74 -0.803 -9.951 -5.798 1.00 0.00 N ATOM 1165 CA LYS A 74 -0.784 -10.988 -6.819 1.00 0.00 C ATOM 1166 C LYS A 74 -1.049 -10.362 -8.180 1.00 0.00 C ATOM 1167 O LYS A 74 -2.195 -10.271 -8.626 1.00 0.00 O ATOM 1168 CB LYS A 74 -1.829 -12.068 -6.519 1.00 0.00 C ATOM 1169 CG LYS A 74 -1.552 -12.848 -5.245 1.00 0.00 C ATOM 1170 CD LYS A 74 -2.668 -13.836 -4.946 1.00 0.00 C ATOM 1171 CE LYS A 74 -2.381 -14.641 -3.687 1.00 0.00 C ATOM 1172 NZ LYS A 74 -3.491 -15.574 -3.356 1.00 0.00 N ATOM 0 H LYS A 74 -1.667 -9.409 -5.768 1.00 0.00 H new ATOM 0 HA LYS A 74 0.198 -11.462 -6.822 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -2.810 -11.600 -6.442 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -1.872 -12.763 -7.358 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -0.607 -13.383 -5.342 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -1.443 -12.156 -4.410 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -3.609 -13.298 -4.828 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -2.791 -14.513 -5.791 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -1.459 -15.207 -3.821 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -2.218 -13.961 -2.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -3.254 -16.102 -2.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -4.365 -15.032 -3.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -3.630 -16.241 -4.142 1.00 0.00 H new ATOM 1186 N GLY A 75 0.013 -9.909 -8.824 1.00 0.00 N ATOM 1187 CA GLY A 75 -0.134 -9.170 -10.058 1.00 0.00 C ATOM 1188 C GLY A 75 -0.599 -7.755 -9.789 1.00 0.00 C ATOM 1189 O GLY A 75 0.117 -6.970 -9.170 1.00 0.00 O ATOM 0 H GLY A 75 0.976 -10.040 -8.514 1.00 0.00 H new ATOM 0 HA2 GLY A 75 0.817 -9.149 -10.590 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -0.850 -9.675 -10.706 1.00 0.00 H new ATOM 1193 N THR A 76 -1.804 -7.435 -10.233 1.00 0.00 N ATOM 1194 CA THR A 76 -2.390 -6.135 -9.949 1.00 0.00 C ATOM 1195 C THR A 76 -3.384 -6.228 -8.793 1.00 0.00 C ATOM 1196 O THR A 76 -4.046 -5.251 -8.444 1.00 0.00 O ATOM 1197 CB THR A 76 -3.095 -5.559 -11.192 1.00 0.00 C ATOM 1198 OG1 THR A 76 -3.979 -6.538 -11.761 1.00 0.00 O ATOM 1199 CG2 THR A 76 -2.077 -5.118 -12.232 1.00 0.00 C ATOM 0 H THR A 76 -2.393 -8.055 -10.789 1.00 0.00 H new ATOM 0 HA THR A 76 -1.578 -5.466 -9.666 1.00 0.00 H new ATOM 0 HB THR A 76 -3.676 -4.690 -10.882 1.00 0.00 H new ATOM 0 HG1 THR A 76 -4.422 -6.160 -12.549 1.00 0.00 H new ATOM 0 HG21 THR A 76 -2.596 -4.715 -13.101 1.00 0.00 H new ATOM 0 HG22 THR A 76 -1.431 -4.350 -11.806 1.00 0.00 H new ATOM 0 HG23 THR A 76 -1.473 -5.973 -12.535 1.00 0.00 H new ATOM 1207 N ARG A 77 -3.470 -7.412 -8.198 1.00 0.00 N ATOM 1208 CA ARG A 77 -4.407 -7.668 -7.111 1.00 0.00 C ATOM 1209 C ARG A 77 -3.785 -7.303 -5.772 1.00 0.00 C ATOM 1210 O ARG A 77 -2.873 -7.982 -5.295 1.00 0.00 O ATOM 1211 CB ARG A 77 -4.809 -9.142 -7.105 1.00 0.00 C ATOM 1212 CG ARG A 77 -5.422 -9.608 -8.412 1.00 0.00 C ATOM 1213 CD ARG A 77 -5.487 -11.123 -8.485 1.00 0.00 C ATOM 1214 NE ARG A 77 -5.957 -11.580 -9.789 1.00 0.00 N ATOM 1215 CZ ARG A 77 -5.159 -11.800 -10.834 1.00 0.00 C ATOM 1216 NH1 ARG A 77 -3.848 -11.600 -10.730 1.00 0.00 N ATOM 1217 NH2 ARG A 77 -5.675 -12.208 -11.985 1.00 0.00 N ATOM 0 H ARG A 77 -2.897 -8.216 -8.453 1.00 0.00 H new ATOM 0 HA ARG A 77 -5.292 -7.052 -7.267 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.930 -9.749 -6.888 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -5.521 -9.313 -6.298 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -6.425 -9.194 -8.513 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -4.835 -9.227 -9.247 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -4.499 -11.540 -8.287 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -6.152 -11.497 -7.707 1.00 0.00 H new ATOM 0 HE ARG A 77 -6.957 -11.741 -9.908 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -3.450 -11.277 -9.848 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -3.241 -11.770 -11.532 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -6.681 -12.353 -12.070 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -5.066 -12.377 -12.786 1.00 0.00 H new ATOM 1231 N PHE A 78 -4.273 -6.223 -5.180 1.00 0.00 N ATOM 1232 CA PHE A 78 -3.804 -5.781 -3.878 1.00 0.00 C ATOM 1233 C PHE A 78 -4.389 -6.668 -2.787 1.00 0.00 C ATOM 1234 O PHE A 78 -5.584 -6.602 -2.496 1.00 0.00 O ATOM 1235 CB PHE A 78 -4.193 -4.315 -3.643 1.00 0.00 C ATOM 1236 CG PHE A 78 -3.725 -3.756 -2.325 1.00 0.00 C ATOM 1237 CD1 PHE A 78 -2.430 -3.291 -2.177 1.00 0.00 C ATOM 1238 CD2 PHE A 78 -4.588 -3.684 -1.241 1.00 0.00 C ATOM 1239 CE1 PHE A 78 -2.002 -2.767 -0.971 1.00 0.00 C ATOM 1240 CE2 PHE A 78 -4.162 -3.164 -0.035 1.00 0.00 C ATOM 1241 CZ PHE A 78 -2.868 -2.702 0.101 1.00 0.00 C ATOM 0 H PHE A 78 -5.000 -5.633 -5.586 1.00 0.00 H new ATOM 0 HA PHE A 78 -2.717 -5.858 -3.848 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -3.781 -3.708 -4.449 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -5.278 -4.225 -3.698 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -1.747 -3.338 -3.012 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -5.603 -4.038 -1.342 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -0.989 -2.408 -0.868 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -4.842 -3.119 0.803 1.00 0.00 H new ATOM 0 HZ PHE A 78 -2.535 -2.291 1.043 1.00 0.00 H new ATOM 1251 N VAL A 79 -3.551 -7.513 -2.205 1.00 0.00 N ATOM 1252 CA VAL A 79 -3.988 -8.399 -1.139 1.00 0.00 C ATOM 1253 C VAL A 79 -3.944 -7.672 0.199 1.00 0.00 C ATOM 1254 O VAL A 79 -4.900 -7.727 0.979 1.00 0.00 O ATOM 1255 CB VAL A 79 -3.117 -9.673 -1.074 1.00 0.00 C ATOM 1256 CG1 VAL A 79 -3.572 -10.591 0.052 1.00 0.00 C ATOM 1257 CG2 VAL A 79 -3.147 -10.407 -2.407 1.00 0.00 C ATOM 0 H VAL A 79 -2.566 -7.603 -2.453 1.00 0.00 H new ATOM 0 HA VAL A 79 -5.013 -8.700 -1.354 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.091 -9.370 -0.867 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -2.941 -11.480 0.074 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -3.493 -10.066 1.004 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -4.608 -10.886 -0.115 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -2.528 -11.302 -2.344 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.173 -10.691 -2.643 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.762 -9.754 -3.190 1.00 0.00 H new ATOM 1267 N GLY A 80 -2.839 -6.982 0.453 1.00 0.00 N ATOM 1268 CA GLY A 80 -2.709 -6.216 1.676 1.00 0.00 C ATOM 1269 C GLY A 80 -1.274 -5.828 1.969 1.00 0.00 C ATOM 1270 O GLY A 80 -0.337 -6.506 1.542 1.00 0.00 O ATOM 0 H GLY A 80 -2.030 -6.940 -0.167 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -3.318 -5.315 1.603 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -3.102 -6.799 2.509 1.00 0.00 H new ATOM 1274 N PHE A 81 -1.097 -4.728 2.685 1.00 0.00 N ATOM 1275 CA PHE A 81 0.230 -4.278 3.079 1.00 0.00 C ATOM 1276 C PHE A 81 0.553 -4.794 4.476 1.00 0.00 C ATOM 1277 O PHE A 81 -0.244 -4.640 5.400 1.00 0.00 O ATOM 1278 CB PHE A 81 0.306 -2.747 3.041 1.00 0.00 C ATOM 1279 CG PHE A 81 1.659 -2.192 3.386 1.00 0.00 C ATOM 1280 CD1 PHE A 81 2.685 -2.205 2.458 1.00 0.00 C ATOM 1281 CD2 PHE A 81 1.902 -1.652 4.638 1.00 0.00 C ATOM 1282 CE1 PHE A 81 3.929 -1.694 2.771 1.00 0.00 C ATOM 1283 CE2 PHE A 81 3.142 -1.138 4.958 1.00 0.00 C ATOM 1284 CZ PHE A 81 4.158 -1.158 4.023 1.00 0.00 C ATOM 0 H PHE A 81 -1.858 -4.129 3.006 1.00 0.00 H new ATOM 0 HA PHE A 81 0.964 -4.674 2.377 1.00 0.00 H new ATOM 0 HB2 PHE A 81 0.028 -2.405 2.044 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -0.430 -2.340 3.735 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.511 -2.620 1.476 1.00 0.00 H new ATOM 0 HD2 PHE A 81 1.111 -1.633 5.373 1.00 0.00 H new ATOM 0 HE1 PHE A 81 4.722 -1.713 2.038 1.00 0.00 H new ATOM 0 HE2 PHE A 81 3.318 -0.721 5.938 1.00 0.00 H new ATOM 0 HZ PHE A 81 5.129 -0.755 4.270 1.00 0.00 H new ATOM 1294 N VAL A 82 1.716 -5.405 4.625 1.00 0.00 N ATOM 1295 CA VAL A 82 2.101 -6.007 5.890 1.00 0.00 C ATOM 1296 C VAL A 82 3.296 -5.280 6.488 1.00 0.00 C ATOM 1297 O VAL A 82 4.416 -5.378 5.978 1.00 0.00 O ATOM 1298 CB VAL A 82 2.449 -7.503 5.726 1.00 0.00 C ATOM 1299 CG1 VAL A 82 2.769 -8.134 7.073 1.00 0.00 C ATOM 1300 CG2 VAL A 82 1.314 -8.249 5.042 1.00 0.00 C ATOM 0 H VAL A 82 2.411 -5.497 3.884 1.00 0.00 H new ATOM 0 HA VAL A 82 1.245 -5.920 6.560 1.00 0.00 H new ATOM 0 HB VAL A 82 3.335 -7.577 5.096 1.00 0.00 H new ATOM 0 HG11 VAL A 82 3.011 -9.188 6.933 1.00 0.00 H new ATOM 0 HG12 VAL A 82 3.621 -7.622 7.521 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.905 -8.045 7.731 1.00 0.00 H new ATOM 0 HG21 VAL A 82 1.581 -9.301 4.937 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.408 -8.163 5.642 1.00 0.00 H new ATOM 0 HG23 VAL A 82 1.138 -7.819 4.056 1.00 0.00 H new ATOM 1310 N SER A 83 3.053 -4.539 7.557 1.00 0.00 N ATOM 1311 CA SER A 83 4.120 -3.854 8.263 1.00 0.00 C ATOM 1312 C SER A 83 4.998 -4.875 8.978 1.00 0.00 C ATOM 1313 O SER A 83 4.513 -5.919 9.418 1.00 0.00 O ATOM 1314 CB SER A 83 3.534 -2.860 9.263 1.00 0.00 C ATOM 1315 OG SER A 83 2.602 -1.996 8.631 1.00 0.00 O ATOM 0 H SER A 83 2.124 -4.397 7.954 1.00 0.00 H new ATOM 0 HA SER A 83 4.730 -3.303 7.547 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.044 -3.399 10.074 1.00 0.00 H new ATOM 0 HB3 SER A 83 4.336 -2.272 9.710 1.00 0.00 H new ATOM 0 HG SER A 83 2.972 -1.089 8.590 1.00 0.00 H new