USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 388 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 39 GLN : amide:sc= -0.197 K(o=-0.2,f=-1.4!) USER MOD Set 1.2: A 43 MET CE :methyl -154:sc= 0 (180deg=0) USER MOD Set 2.1: A 30 GLN : amide:sc= -0.35 K(o=-0.8,f=-0.12) USER MOD Set 2.2: A 34 ASN : amide:sc= -0.451 K(o=-0.8,f=-0.12) USER MOD Single : A 6 GLN : amide:sc= -0.399 X(o=-0.4,f=0) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.692 K(o=-0.69,f=0) USER MOD Single : A 23 SER OG : rot -34:sc= 0.476 USER MOD Single : A 24 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.00423 USER MOD Single : A 27 ASN : amide:sc= -0.606 K(o=-0.61,f=-2.5) USER MOD Single : A 28 THR OG1 : rot -126:sc= -1.23! USER MOD Single : A 32 MET CE :methyl -132:sc=-0.00576 (180deg=-0.109) USER MOD Single : A 36 MET CE :methyl 163:sc= -1.53! (180deg=-1.62!) USER MOD Single : A 38 GLN : amide:sc=-0.00257 X(o=-0.0026,f=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 158:sc= -0.0305 (180deg=-0.331) USER MOD Single : A 50 GLN : amide:sc= -0.0183 X(o=-0.018,f=0) USER MOD ----------------------------------------------------------------- ATOM 36 N LEU A 4 -20.732 -3.125 4.521 1.00 0.00 N ATOM 37 CA LEU A 4 -19.919 -3.480 3.370 1.00 0.00 C ATOM 38 C LEU A 4 -20.461 -2.766 2.129 1.00 0.00 C ATOM 39 O LEU A 4 -19.691 -2.313 1.285 1.00 0.00 O ATOM 40 CB LEU A 4 -19.838 -5.000 3.219 1.00 0.00 C ATOM 41 CG LEU A 4 -18.466 -5.626 3.475 1.00 0.00 C ATOM 42 CD1 LEU A 4 -17.418 -5.065 2.512 1.00 0.00 C ATOM 43 CD2 LEU A 4 -18.049 -5.457 4.937 1.00 0.00 C ATOM 0 HA LEU A 4 -18.892 -3.142 3.510 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -20.555 -5.452 3.904 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -20.153 -5.262 2.209 1.00 0.00 H new ATOM 0 HG LEU A 4 -18.539 -6.696 3.283 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -16.452 -5.527 2.716 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -17.714 -5.281 1.486 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -17.340 -3.986 2.647 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -17.070 -5.911 5.091 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -17.999 -4.396 5.181 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -18.780 -5.944 5.582 1.00 0.00 H new ATOM 54 N ILE A 5 -21.782 -2.690 2.059 1.00 0.00 N ATOM 55 CA ILE A 5 -22.435 -2.041 0.936 1.00 0.00 C ATOM 56 C ILE A 5 -22.057 -0.558 0.919 1.00 0.00 C ATOM 57 O ILE A 5 -21.931 0.042 -0.147 1.00 0.00 O ATOM 58 CB ILE A 5 -23.945 -2.290 0.976 1.00 0.00 C ATOM 59 CG1 ILE A 5 -24.250 -3.754 1.301 1.00 0.00 C ATOM 60 CG2 ILE A 5 -24.609 -1.840 -0.326 1.00 0.00 C ATOM 61 CD1 ILE A 5 -23.400 -4.694 0.444 1.00 0.00 C ATOM 0 H ILE A 5 -22.417 -3.067 2.762 1.00 0.00 H new ATOM 0 HA ILE A 5 -22.089 -2.470 -0.005 1.00 0.00 H new ATOM 0 HB ILE A 5 -24.371 -1.687 1.778 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -24.057 -3.944 2.357 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -25.307 -3.956 1.129 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -25.681 -2.028 -0.271 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -24.434 -0.774 -0.474 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -24.185 -2.397 -1.162 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -23.636 -5.728 0.695 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -23.614 -4.518 -0.610 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -22.344 -4.506 0.636 1.00 0.00 H new ATOM 72 N GLN A 6 -21.886 -0.010 2.113 1.00 0.00 N ATOM 73 CA GLN A 6 -21.524 1.390 2.249 1.00 0.00 C ATOM 74 C GLN A 6 -20.161 1.651 1.607 1.00 0.00 C ATOM 75 O GLN A 6 -20.026 2.538 0.765 1.00 0.00 O ATOM 76 CB GLN A 6 -21.529 1.818 3.718 1.00 0.00 C ATOM 77 CG GLN A 6 -22.867 2.455 4.100 1.00 0.00 C ATOM 78 CD GLN A 6 -22.667 3.585 5.112 1.00 0.00 C ATOM 79 OE1 GLN A 6 -22.928 3.446 6.296 1.00 0.00 O ATOM 80 NE2 GLN A 6 -22.192 4.708 4.581 1.00 0.00 N ATOM 0 H GLN A 6 -21.992 -0.511 2.995 1.00 0.00 H new ATOM 0 HA GLN A 6 -22.270 1.990 1.728 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -21.340 0.953 4.353 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -20.721 2.527 3.896 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -23.357 2.844 3.207 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -23.528 1.697 4.521 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -21.995 4.756 3.581 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -22.025 5.521 5.173 1.00 0.00 H new ATOM 87 N VAL A 7 -19.182 0.863 2.028 1.00 0.00 N ATOM 88 CA VAL A 7 -17.834 0.998 1.505 1.00 0.00 C ATOM 89 C VAL A 7 -17.819 0.579 0.033 1.00 0.00 C ATOM 90 O VAL A 7 -17.103 1.168 -0.776 1.00 0.00 O ATOM 91 CB VAL A 7 -16.856 0.194 2.365 1.00 0.00 C ATOM 92 CG1 VAL A 7 -17.301 -1.264 2.482 1.00 0.00 C ATOM 93 CG2 VAL A 7 -15.433 0.292 1.811 1.00 0.00 C ATOM 0 H VAL A 7 -19.296 0.128 2.726 1.00 0.00 H new ATOM 0 HA VAL A 7 -17.508 2.037 1.551 1.00 0.00 H new ATOM 0 HB VAL A 7 -16.856 0.624 3.366 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -16.589 -1.813 3.098 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -18.288 -1.307 2.942 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -17.343 -1.712 1.489 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -14.757 -0.288 2.440 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -15.410 -0.101 0.795 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -15.117 1.335 1.803 1.00 0.00 H new ATOM 103 N ARG A 8 -18.618 -0.433 -0.270 1.00 0.00 N ATOM 104 CA ARG A 8 -18.706 -0.937 -1.630 1.00 0.00 C ATOM 105 C ARG A 8 -19.346 0.110 -2.543 1.00 0.00 C ATOM 106 O ARG A 8 -18.808 0.426 -3.604 1.00 0.00 O ATOM 107 CB ARG A 8 -19.527 -2.226 -1.687 1.00 0.00 C ATOM 108 CG ARG A 8 -18.678 -3.437 -1.296 1.00 0.00 C ATOM 109 CD ARG A 8 -19.138 -4.693 -2.040 1.00 0.00 C ATOM 110 NE ARG A 8 -18.245 -4.954 -3.191 1.00 0.00 N ATOM 111 CZ ARG A 8 -18.607 -5.658 -4.285 1.00 0.00 C ATOM 112 NH1 ARG A 8 -19.849 -6.177 -4.385 1.00 0.00 N ATOM 113 NH2 ARG A 8 -17.728 -5.831 -5.255 1.00 0.00 N ATOM 0 H ARG A 8 -19.211 -0.918 0.403 1.00 0.00 H new ATOM 0 HA ARG A 8 -17.693 -1.150 -1.972 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -20.383 -2.146 -1.016 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -19.923 -2.365 -2.693 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -17.630 -3.239 -1.522 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -18.746 -3.602 -0.221 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -19.134 -5.548 -1.364 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -20.164 -4.566 -2.386 1.00 0.00 H new ATOM 0 HE ARG A 8 -17.297 -4.579 -3.156 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -20.522 -6.039 -3.631 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -20.115 -6.708 -5.215 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -16.792 -5.435 -5.171 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -17.985 -6.360 -6.088 1.00 0.00 H new ATOM 123 N ASP A 9 -20.485 0.619 -2.098 1.00 0.00 N ATOM 124 CA ASP A 9 -21.204 1.624 -2.863 1.00 0.00 C ATOM 125 C ASP A 9 -20.278 2.810 -3.137 1.00 0.00 C ATOM 126 O ASP A 9 -20.166 3.266 -4.274 1.00 0.00 O ATOM 127 CB ASP A 9 -22.418 2.140 -2.089 1.00 0.00 C ATOM 128 CG ASP A 9 -23.422 2.942 -2.919 1.00 0.00 C ATOM 129 OD1 ASP A 9 -23.811 4.060 -2.549 1.00 0.00 O ATOM 130 OD2 ASP A 9 -23.815 2.366 -4.005 1.00 0.00 O ATOM 0 H ASP A 9 -20.928 0.355 -1.218 1.00 0.00 H new ATOM 0 HA ASP A 9 -21.538 1.165 -3.793 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -22.935 1.289 -1.644 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -22.067 2.765 -1.268 1.00 0.00 H new ATOM 135 N LEU A 10 -19.637 3.276 -2.075 1.00 0.00 N ATOM 136 CA LEU A 10 -18.723 4.401 -2.186 1.00 0.00 C ATOM 137 C LEU A 10 -17.568 4.024 -3.116 1.00 0.00 C ATOM 138 O LEU A 10 -17.217 4.786 -4.015 1.00 0.00 O ATOM 139 CB LEU A 10 -18.271 4.863 -0.800 1.00 0.00 C ATOM 140 CG LEU A 10 -19.098 5.984 -0.163 1.00 0.00 C ATOM 141 CD1 LEU A 10 -18.920 7.297 -0.928 1.00 0.00 C ATOM 142 CD2 LEU A 10 -20.570 5.582 -0.048 1.00 0.00 C ATOM 0 H LEU A 10 -19.732 2.895 -1.134 1.00 0.00 H new ATOM 0 HA LEU A 10 -19.226 5.258 -2.633 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -18.284 4.003 -0.130 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -17.236 5.197 -0.870 1.00 0.00 H new ATOM 0 HG LEU A 10 -18.730 6.148 0.850 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -19.517 8.077 -0.456 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -17.869 7.586 -0.914 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -19.246 7.164 -1.959 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -21.135 6.395 0.407 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -20.969 5.374 -1.041 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -20.656 4.689 0.571 1.00 0.00 H new ATOM 153 N LEU A 11 -17.009 2.849 -2.866 1.00 0.00 N ATOM 154 CA LEU A 11 -15.901 2.362 -3.669 1.00 0.00 C ATOM 155 C LEU A 11 -16.336 2.277 -5.133 1.00 0.00 C ATOM 156 O LEU A 11 -15.506 2.354 -6.037 1.00 0.00 O ATOM 157 CB LEU A 11 -15.371 1.041 -3.107 1.00 0.00 C ATOM 158 CG LEU A 11 -14.262 1.155 -2.060 1.00 0.00 C ATOM 159 CD1 LEU A 11 -13.806 -0.228 -1.591 1.00 0.00 C ATOM 160 CD2 LEU A 11 -13.096 1.994 -2.586 1.00 0.00 C ATOM 0 H LEU A 11 -17.303 2.220 -2.119 1.00 0.00 H new ATOM 0 HA LEU A 11 -15.064 3.059 -3.625 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -16.205 0.496 -2.666 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -15.000 0.439 -3.936 1.00 0.00 H new ATOM 0 HG LEU A 11 -14.666 1.673 -1.190 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -13.017 -0.118 -0.847 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -14.649 -0.759 -1.150 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -13.426 -0.794 -2.442 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -12.321 2.059 -1.822 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -12.685 1.526 -3.480 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -13.450 2.996 -2.831 1.00 0.00 H new ATOM 171 N ALA A 12 -17.638 2.118 -5.322 1.00 0.00 N ATOM 172 CA ALA A 12 -18.194 2.021 -6.661 1.00 0.00 C ATOM 173 C ALA A 12 -18.482 3.427 -7.192 1.00 0.00 C ATOM 174 O ALA A 12 -17.945 3.826 -8.224 1.00 0.00 O ATOM 175 CB ALA A 12 -19.446 1.141 -6.631 1.00 0.00 C ATOM 0 H ALA A 12 -18.324 2.054 -4.570 1.00 0.00 H new ATOM 0 HA ALA A 12 -17.482 1.552 -7.340 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -19.864 1.068 -7.635 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -19.182 0.145 -6.274 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -20.185 1.582 -5.962 1.00 0.00 H new ATOM 181 N LEU A 13 -19.328 4.138 -6.463 1.00 0.00 N ATOM 182 CA LEU A 13 -19.693 5.492 -6.847 1.00 0.00 C ATOM 183 C LEU A 13 -18.426 6.341 -6.973 1.00 0.00 C ATOM 184 O LEU A 13 -18.142 6.884 -8.039 1.00 0.00 O ATOM 185 CB LEU A 13 -20.724 6.066 -5.874 1.00 0.00 C ATOM 186 CG LEU A 13 -22.184 5.696 -6.148 1.00 0.00 C ATOM 187 CD1 LEU A 13 -22.336 4.190 -6.371 1.00 0.00 C ATOM 188 CD2 LEU A 13 -23.097 6.205 -5.031 1.00 0.00 C ATOM 0 H LEU A 13 -19.772 3.803 -5.608 1.00 0.00 H new ATOM 0 HA LEU A 13 -20.177 5.493 -7.824 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -20.469 5.734 -4.868 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -20.637 7.153 -5.883 1.00 0.00 H new ATOM 0 HG LEU A 13 -22.495 6.190 -7.069 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -23.383 3.955 -6.563 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -21.732 3.886 -7.226 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -22.001 3.655 -5.482 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -24.128 5.929 -5.250 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -22.796 5.759 -4.083 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -23.018 7.290 -4.963 1.00 0.00 H new ATOM 199 N ARG A 14 -17.700 6.429 -5.869 1.00 0.00 N ATOM 200 CA ARG A 14 -16.471 7.204 -5.842 1.00 0.00 C ATOM 201 C ARG A 14 -15.331 6.410 -6.484 1.00 0.00 C ATOM 202 O ARG A 14 -14.196 6.883 -6.540 1.00 0.00 O ATOM 203 CB ARG A 14 -16.084 7.572 -4.408 1.00 0.00 C ATOM 204 CG ARG A 14 -17.325 7.838 -3.555 1.00 0.00 C ATOM 205 CD ARG A 14 -18.286 8.792 -4.268 1.00 0.00 C ATOM 206 NE ARG A 14 -17.873 10.193 -4.034 1.00 0.00 N ATOM 207 CZ ARG A 14 -18.232 10.917 -2.953 1.00 0.00 C ATOM 208 NH1 ARG A 14 -19.015 10.376 -1.994 1.00 0.00 N ATOM 209 NH2 ARG A 14 -17.805 12.162 -2.845 1.00 0.00 N ATOM 0 H ARG A 14 -17.939 5.977 -4.986 1.00 0.00 H new ATOM 0 HA ARG A 14 -16.643 8.121 -6.406 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -15.501 6.764 -3.966 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -15.447 8.457 -4.415 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -17.832 6.897 -3.342 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -17.028 8.264 -2.597 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -18.295 8.580 -5.337 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -19.302 8.638 -3.904 1.00 0.00 H new ATOM 0 HE ARG A 14 -17.280 10.640 -4.733 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -19.340 9.413 -2.084 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -19.281 10.930 -1.180 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -17.213 12.563 -3.572 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -18.067 12.723 -2.034 1.00 0.00 H new ATOM 219 N GLY A 15 -15.670 5.219 -6.951 1.00 0.00 N ATOM 220 CA GLY A 15 -14.690 4.356 -7.587 1.00 0.00 C ATOM 221 C GLY A 15 -13.536 4.040 -6.631 1.00 0.00 C ATOM 222 O GLY A 15 -13.750 3.862 -5.433 1.00 0.00 O ATOM 0 H GLY A 15 -16.612 4.830 -6.902 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -15.168 3.429 -7.905 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -14.302 4.839 -8.484 1.00 0.00 H new ATOM 226 N ARG A 16 -12.341 3.980 -7.198 1.00 0.00 N ATOM 227 CA ARG A 16 -11.154 3.687 -6.411 1.00 0.00 C ATOM 228 C ARG A 16 -10.872 4.830 -5.433 1.00 0.00 C ATOM 229 O ARG A 16 -10.862 5.997 -5.821 1.00 0.00 O ATOM 230 CB ARG A 16 -9.934 3.482 -7.311 1.00 0.00 C ATOM 231 CG ARG A 16 -9.785 4.636 -8.305 1.00 0.00 C ATOM 232 CD ARG A 16 -8.313 5.008 -8.497 1.00 0.00 C ATOM 233 NE ARG A 16 -8.131 5.701 -9.792 1.00 0.00 N ATOM 234 CZ ARG A 16 -6.929 6.001 -10.327 1.00 0.00 C ATOM 235 NH1 ARG A 16 -5.790 5.671 -9.681 1.00 0.00 N ATOM 236 NH2 ARG A 16 -6.883 6.623 -11.491 1.00 0.00 N ATOM 0 H ARG A 16 -12.168 4.129 -8.192 1.00 0.00 H new ATOM 0 HA ARG A 16 -11.341 2.767 -5.857 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -9.035 3.406 -6.699 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -10.031 2.541 -7.853 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -10.220 4.354 -9.264 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -10.339 5.503 -7.946 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -7.983 5.651 -7.681 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -7.695 4.110 -8.465 1.00 0.00 H new ATOM 0 HE ARG A 16 -8.966 5.969 -10.313 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -5.834 5.191 -8.782 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -4.885 5.901 -10.092 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -7.748 6.870 -11.972 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -5.982 6.857 -11.909 1.00 0.00 H new ATOM 246 N MET A 17 -10.647 4.453 -4.182 1.00 0.00 N ATOM 247 CA MET A 17 -10.366 5.432 -3.146 1.00 0.00 C ATOM 248 C MET A 17 -9.876 4.749 -1.867 1.00 0.00 C ATOM 249 O MET A 17 -10.217 3.597 -1.604 1.00 0.00 O ATOM 250 CB MET A 17 -11.632 6.235 -2.843 1.00 0.00 C ATOM 251 CG MET A 17 -11.296 7.532 -2.105 1.00 0.00 C ATOM 252 SD MET A 17 -11.902 8.935 -3.027 1.00 0.00 S ATOM 253 CE MET A 17 -10.374 9.824 -3.278 1.00 0.00 C ATOM 0 H MET A 17 -10.654 3.484 -3.863 1.00 0.00 H new ATOM 0 HA MET A 17 -9.581 6.098 -3.505 1.00 0.00 H new ATOM 0 HB2 MET A 17 -12.152 6.466 -3.773 1.00 0.00 H new ATOM 0 HB3 MET A 17 -12.312 5.634 -2.239 1.00 0.00 H new ATOM 0 HG2 MET A 17 -11.742 7.520 -1.111 1.00 0.00 H new ATOM 0 HG3 MET A 17 -10.218 7.614 -1.970 1.00 0.00 H new ATOM 0 HE1 MET A 17 -10.572 10.735 -3.843 1.00 0.00 H new ATOM 0 HE2 MET A 17 -9.941 10.083 -2.312 1.00 0.00 H new ATOM 0 HE3 MET A 17 -9.676 9.198 -3.833 1.00 0.00 H new ATOM 261 N GLU A 18 -9.085 5.491 -1.105 1.00 0.00 N ATOM 262 CA GLU A 18 -8.545 4.971 0.141 1.00 0.00 C ATOM 263 C GLU A 18 -9.665 4.779 1.165 1.00 0.00 C ATOM 264 O GLU A 18 -10.735 5.372 1.040 1.00 0.00 O ATOM 265 CB GLU A 18 -7.452 5.889 0.689 1.00 0.00 C ATOM 266 CG GLU A 18 -6.599 5.165 1.732 1.00 0.00 C ATOM 267 CD GLU A 18 -6.016 3.870 1.161 1.00 0.00 C ATOM 268 OE1 GLU A 18 -6.710 2.844 1.120 1.00 0.00 O ATOM 269 OE2 GLU A 18 -4.797 3.957 0.749 1.00 0.00 O ATOM 0 H GLU A 18 -8.805 6.447 -1.326 1.00 0.00 H new ATOM 0 HA GLU A 18 -8.092 4.000 -0.058 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -6.818 6.234 -0.128 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -7.906 6.774 1.136 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.791 5.817 2.062 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.205 4.939 2.609 1.00 0.00 H new ATOM 275 N ALA A 19 -9.380 3.947 2.157 1.00 0.00 N ATOM 276 CA ALA A 19 -10.349 3.669 3.202 1.00 0.00 C ATOM 277 C ALA A 19 -10.550 4.925 4.053 1.00 0.00 C ATOM 278 O ALA A 19 -11.670 5.230 4.461 1.00 0.00 O ATOM 279 CB ALA A 19 -9.877 2.473 4.032 1.00 0.00 C ATOM 0 H ALA A 19 -8.491 3.457 2.258 1.00 0.00 H new ATOM 0 HA ALA A 19 -11.314 3.405 2.769 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -10.605 2.265 4.816 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -9.778 1.599 3.388 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -8.912 2.702 4.484 1.00 0.00 H new ATOM 285 N ALA A 20 -9.448 5.619 4.294 1.00 0.00 N ATOM 286 CA ALA A 20 -9.489 6.836 5.089 1.00 0.00 C ATOM 287 C ALA A 20 -10.689 7.682 4.656 1.00 0.00 C ATOM 288 O ALA A 20 -11.348 8.301 5.489 1.00 0.00 O ATOM 289 CB ALA A 20 -8.164 7.586 4.942 1.00 0.00 C ATOM 0 H ALA A 20 -8.521 5.363 3.953 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.615 6.601 6.146 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -8.194 8.498 5.538 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -7.347 6.953 5.289 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -8.005 7.842 3.894 1.00 0.00 H new ATOM 295 N GLN A 21 -10.936 7.680 3.354 1.00 0.00 N ATOM 296 CA GLN A 21 -12.043 8.440 2.801 1.00 0.00 C ATOM 297 C GLN A 21 -13.364 7.711 3.053 1.00 0.00 C ATOM 298 O GLN A 21 -14.338 8.318 3.496 1.00 0.00 O ATOM 299 CB GLN A 21 -11.838 8.702 1.308 1.00 0.00 C ATOM 300 CG GLN A 21 -11.184 10.065 1.076 1.00 0.00 C ATOM 301 CD GLN A 21 -12.230 11.120 0.705 1.00 0.00 C ATOM 302 OE1 GLN A 21 -12.117 11.822 -0.285 1.00 0.00 O ATOM 303 NE2 GLN A 21 -13.251 11.189 1.554 1.00 0.00 N ATOM 0 H GLN A 21 -10.388 7.164 2.666 1.00 0.00 H new ATOM 0 HA GLN A 21 -12.081 9.407 3.303 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -11.214 7.918 0.880 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -12.798 8.663 0.793 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -10.653 10.375 1.976 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -10.444 9.986 0.280 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -13.283 10.570 2.364 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -14.002 11.860 1.395 1.00 0.00 H new ATOM 310 N ILE A 22 -13.356 6.419 2.760 1.00 0.00 N ATOM 311 CA ILE A 22 -14.541 5.601 2.950 1.00 0.00 C ATOM 312 C ILE A 22 -14.975 5.669 4.416 1.00 0.00 C ATOM 313 O ILE A 22 -16.158 5.829 4.710 1.00 0.00 O ATOM 314 CB ILE A 22 -14.295 4.176 2.447 1.00 0.00 C ATOM 315 CG1 ILE A 22 -13.800 4.183 1.000 1.00 0.00 C ATOM 316 CG2 ILE A 22 -15.544 3.310 2.621 1.00 0.00 C ATOM 317 CD1 ILE A 22 -12.815 3.040 0.751 1.00 0.00 C ATOM 0 H ILE A 22 -12.547 5.918 2.392 1.00 0.00 H new ATOM 0 HA ILE A 22 -15.369 5.987 2.355 1.00 0.00 H new ATOM 0 HB ILE A 22 -13.507 3.731 3.055 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -14.648 4.091 0.322 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -13.319 5.136 0.781 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -15.342 2.303 2.256 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -15.812 3.266 3.677 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -16.369 3.743 2.055 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -12.479 3.069 -0.286 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -11.957 3.149 1.414 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -13.306 2.087 0.947 1.00 0.00 H new ATOM 328 N SER A 23 -13.992 5.544 5.295 1.00 0.00 N ATOM 329 CA SER A 23 -14.257 5.589 6.724 1.00 0.00 C ATOM 330 C SER A 23 -14.968 6.896 7.083 1.00 0.00 C ATOM 331 O SER A 23 -15.956 6.889 7.815 1.00 0.00 O ATOM 332 CB SER A 23 -12.964 5.450 7.528 1.00 0.00 C ATOM 333 OG SER A 23 -12.100 6.570 7.349 1.00 0.00 O ATOM 0 H SER A 23 -13.012 5.412 5.046 1.00 0.00 H new ATOM 0 HA SER A 23 -14.903 4.749 6.979 1.00 0.00 H new ATOM 0 HB2 SER A 23 -13.205 5.343 8.586 1.00 0.00 H new ATOM 0 HB3 SER A 23 -12.445 4.540 7.226 1.00 0.00 H new ATOM 0 HG SER A 23 -12.194 6.913 6.436 1.00 0.00 H new ATOM 338 N GLN A 24 -14.437 7.987 6.551 1.00 0.00 N ATOM 339 CA GLN A 24 -15.008 9.299 6.806 1.00 0.00 C ATOM 340 C GLN A 24 -16.471 9.336 6.360 1.00 0.00 C ATOM 341 O GLN A 24 -17.332 9.832 7.085 1.00 0.00 O ATOM 342 CB GLN A 24 -14.195 10.394 6.113 1.00 0.00 C ATOM 343 CG GLN A 24 -13.350 11.173 7.123 1.00 0.00 C ATOM 344 CD GLN A 24 -12.654 12.361 6.457 1.00 0.00 C ATOM 345 OE1 GLN A 24 -13.016 12.800 5.378 1.00 0.00 O ATOM 346 NE2 GLN A 24 -11.636 12.854 7.158 1.00 0.00 N ATOM 0 H GLN A 24 -13.617 7.990 5.944 1.00 0.00 H new ATOM 0 HA GLN A 24 -14.971 9.489 7.879 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -13.547 9.948 5.359 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -14.867 11.077 5.593 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -13.984 11.528 7.936 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -12.605 10.512 7.565 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -11.386 12.438 8.055 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -11.106 13.648 6.798 1.00 0.00 H new ATOM 353 N THR A 25 -16.707 8.806 5.169 1.00 0.00 N ATOM 354 CA THR A 25 -18.051 8.772 4.618 1.00 0.00 C ATOM 355 C THR A 25 -19.049 8.292 5.673 1.00 0.00 C ATOM 356 O THR A 25 -20.102 8.900 5.860 1.00 0.00 O ATOM 357 CB THR A 25 -18.026 7.897 3.363 1.00 0.00 C ATOM 358 OG1 THR A 25 -17.062 8.524 2.521 1.00 0.00 O ATOM 359 CG2 THR A 25 -19.329 7.982 2.564 1.00 0.00 C ATOM 0 H THR A 25 -15.990 8.397 4.570 1.00 0.00 H new ATOM 0 HA THR A 25 -18.385 9.769 4.330 1.00 0.00 H new ATOM 0 HB THR A 25 -17.840 6.861 3.647 1.00 0.00 H new ATOM 0 HG1 THR A 25 -16.981 8.020 1.684 1.00 0.00 H new ATOM 0 HG21 THR A 25 -19.259 7.343 1.684 1.00 0.00 H new ATOM 0 HG22 THR A 25 -20.160 7.651 3.187 1.00 0.00 H new ATOM 0 HG23 THR A 25 -19.497 9.012 2.251 1.00 0.00 H new ATOM 367 N LEU A 26 -18.682 7.206 6.337 1.00 0.00 N ATOM 368 CA LEU A 26 -19.531 6.637 7.370 1.00 0.00 C ATOM 369 C LEU A 26 -18.967 6.998 8.745 1.00 0.00 C ATOM 370 O LEU A 26 -19.218 6.300 9.726 1.00 0.00 O ATOM 371 CB LEU A 26 -19.704 5.132 7.152 1.00 0.00 C ATOM 372 CG LEU A 26 -18.563 4.425 6.418 1.00 0.00 C ATOM 373 CD1 LEU A 26 -18.482 2.951 6.820 1.00 0.00 C ATOM 374 CD2 LEU A 26 -18.694 4.600 4.904 1.00 0.00 C ATOM 0 H LEU A 26 -17.808 6.705 6.180 1.00 0.00 H new ATOM 0 HA LEU A 26 -20.533 7.062 7.315 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -19.834 4.657 8.124 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -20.625 4.970 6.592 1.00 0.00 H new ATOM 0 HG LEU A 26 -17.624 4.892 6.716 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -17.663 2.472 6.284 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -18.306 2.876 7.893 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -19.419 2.454 6.570 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -17.871 4.088 4.406 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -19.641 4.176 4.569 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -18.664 5.661 4.656 1.00 0.00 H new ATOM 385 N ASN A 27 -18.215 8.090 8.773 1.00 0.00 N ATOM 386 CA ASN A 27 -17.614 8.552 10.012 1.00 0.00 C ATOM 387 C ASN A 27 -17.155 7.346 10.833 1.00 0.00 C ATOM 388 O ASN A 27 -17.200 7.373 12.062 1.00 0.00 O ATOM 389 CB ASN A 27 -18.620 9.342 10.851 1.00 0.00 C ATOM 390 CG ASN A 27 -17.920 10.082 11.993 1.00 0.00 C ATOM 391 OD1 ASN A 27 -16.722 9.969 12.199 1.00 0.00 O ATOM 392 ND2 ASN A 27 -18.732 10.843 12.722 1.00 0.00 N ATOM 0 H ASN A 27 -18.009 8.667 7.958 1.00 0.00 H new ATOM 0 HA ASN A 27 -16.772 9.196 9.758 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -19.145 10.057 10.218 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -19.371 8.665 11.258 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -18.361 11.377 13.508 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -19.725 10.892 12.495 1.00 0.00 H new ATOM 398 N THR A 28 -16.725 6.314 10.121 1.00 0.00 N ATOM 399 CA THR A 28 -16.258 5.101 10.769 1.00 0.00 C ATOM 400 C THR A 28 -14.769 5.212 11.101 1.00 0.00 C ATOM 401 O THR A 28 -14.069 6.064 10.556 1.00 0.00 O ATOM 402 CB THR A 28 -16.589 3.920 9.854 1.00 0.00 C ATOM 403 OG1 THR A 28 -17.143 2.944 10.733 1.00 0.00 O ATOM 404 CG2 THR A 28 -15.337 3.245 9.291 1.00 0.00 C ATOM 0 H THR A 28 -16.690 6.294 9.102 1.00 0.00 H new ATOM 0 HA THR A 28 -16.761 4.944 11.723 1.00 0.00 H new ATOM 0 HB THR A 28 -17.217 4.264 9.032 1.00 0.00 H new ATOM 0 HG1 THR A 28 -16.655 2.100 10.634 1.00 0.00 H new ATOM 0 HG21 THR A 28 -15.629 2.414 8.649 1.00 0.00 H new ATOM 0 HG22 THR A 28 -14.764 3.968 8.711 1.00 0.00 H new ATOM 0 HG23 THR A 28 -14.725 2.871 10.112 1.00 0.00 H new ATOM 412 N PRO A 29 -14.317 4.315 12.019 1.00 0.00 N ATOM 413 CA PRO A 29 -12.924 4.304 12.431 1.00 0.00 C ATOM 414 C PRO A 29 -12.036 3.694 11.346 1.00 0.00 C ATOM 415 O PRO A 29 -12.378 2.667 10.763 1.00 0.00 O ATOM 416 CB PRO A 29 -12.904 3.514 13.730 1.00 0.00 C ATOM 417 CG PRO A 29 -14.199 2.719 13.754 1.00 0.00 C ATOM 418 CD PRO A 29 -15.117 3.291 12.686 1.00 0.00 C ATOM 0 HA PRO A 29 -12.523 5.306 12.584 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -12.039 2.852 13.772 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -12.838 4.179 14.591 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -14.003 1.664 13.563 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -14.669 2.784 14.736 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -15.438 2.520 11.985 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -16.019 3.717 13.126 1.00 0.00 H new ATOM 423 N GLN A 30 -10.911 4.353 11.107 1.00 0.00 N ATOM 424 CA GLN A 30 -9.970 3.887 10.102 1.00 0.00 C ATOM 425 C GLN A 30 -9.736 2.383 10.249 1.00 0.00 C ATOM 426 O GLN A 30 -9.840 1.637 9.276 1.00 0.00 O ATOM 427 CB GLN A 30 -8.651 4.659 10.187 1.00 0.00 C ATOM 428 CG GLN A 30 -8.216 5.155 8.807 1.00 0.00 C ATOM 429 CD GLN A 30 -7.561 4.031 8.001 1.00 0.00 C ATOM 430 OE1 GLN A 30 -6.469 3.576 8.297 1.00 0.00 O ATOM 431 NE2 GLN A 30 -8.287 3.610 6.969 1.00 0.00 N ATOM 0 H GLN A 30 -10.630 5.205 11.592 1.00 0.00 H new ATOM 0 HA GLN A 30 -10.399 4.072 9.117 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.765 5.507 10.863 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.877 4.018 10.608 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -9.081 5.539 8.266 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -7.516 5.983 8.918 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -9.194 4.035 6.777 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -7.936 2.863 6.370 1.00 0.00 H new ATOM 438 N PRO A 31 -9.417 1.971 11.505 1.00 0.00 N ATOM 439 CA PRO A 31 -9.168 0.568 11.792 1.00 0.00 C ATOM 440 C PRO A 31 -10.475 -0.224 11.828 1.00 0.00 C ATOM 441 O PRO A 31 -10.757 -0.920 12.802 1.00 0.00 O ATOM 442 CB PRO A 31 -8.434 0.564 13.124 1.00 0.00 C ATOM 443 CG PRO A 31 -8.709 1.919 13.755 1.00 0.00 C ATOM 444 CD PRO A 31 -9.285 2.826 12.681 1.00 0.00 C ATOM 0 HA PRO A 31 -8.571 0.080 11.021 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -8.789 -0.244 13.763 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -7.365 0.410 12.980 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -9.408 1.818 14.585 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -7.791 2.344 14.161 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -10.249 3.235 12.983 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -8.627 3.673 12.483 1.00 0.00 H new ATOM 449 N MET A 32 -11.239 -0.094 10.752 1.00 0.00 N ATOM 450 CA MET A 32 -12.510 -0.790 10.648 1.00 0.00 C ATOM 451 C MET A 32 -12.792 -1.202 9.202 1.00 0.00 C ATOM 452 O MET A 32 -13.213 -2.328 8.944 1.00 0.00 O ATOM 453 CB MET A 32 -13.633 0.121 11.149 1.00 0.00 C ATOM 454 CG MET A 32 -14.682 -0.679 11.924 1.00 0.00 C ATOM 455 SD MET A 32 -16.309 -0.015 11.613 1.00 0.00 S ATOM 456 CE MET A 32 -16.615 -0.689 9.989 1.00 0.00 C ATOM 0 H MET A 32 -11.002 0.483 9.945 1.00 0.00 H new ATOM 0 HA MET A 32 -12.462 -1.691 11.259 1.00 0.00 H new ATOM 0 HB2 MET A 32 -13.217 0.899 11.789 1.00 0.00 H new ATOM 0 HB3 MET A 32 -14.104 0.622 10.304 1.00 0.00 H new ATOM 0 HG2 MET A 32 -14.645 -1.727 11.626 1.00 0.00 H new ATOM 0 HG3 MET A 32 -14.463 -0.643 12.991 1.00 0.00 H new ATOM 0 HE1 MET A 32 -16.979 0.100 9.331 1.00 0.00 H new ATOM 0 HE2 MET A 32 -15.690 -1.100 9.585 1.00 0.00 H new ATOM 0 HE3 MET A 32 -17.363 -1.479 10.058 1.00 0.00 H new ATOM 464 N ILE A 33 -12.549 -0.267 8.295 1.00 0.00 N ATOM 465 CA ILE A 33 -12.771 -0.518 6.882 1.00 0.00 C ATOM 466 C ILE A 33 -11.621 -1.363 6.331 1.00 0.00 C ATOM 467 O ILE A 33 -11.830 -2.217 5.471 1.00 0.00 O ATOM 468 CB ILE A 33 -12.983 0.798 6.131 1.00 0.00 C ATOM 469 CG1 ILE A 33 -14.171 1.572 6.704 1.00 0.00 C ATOM 470 CG2 ILE A 33 -13.130 0.553 4.627 1.00 0.00 C ATOM 471 CD1 ILE A 33 -15.493 0.879 6.367 1.00 0.00 C ATOM 0 H ILE A 33 -12.200 0.667 8.512 1.00 0.00 H new ATOM 0 HA ILE A 33 -13.686 -1.092 6.736 1.00 0.00 H new ATOM 0 HB ILE A 33 -12.098 1.418 6.272 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -14.066 1.657 7.786 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -14.176 2.586 6.304 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -13.280 1.504 4.116 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -12.227 0.075 4.246 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -13.988 -0.095 4.446 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -16.321 1.451 6.787 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -15.606 0.818 5.285 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -15.495 -0.126 6.789 1.00 0.00 H new ATOM 482 N ASN A 34 -10.431 -1.095 6.849 1.00 0.00 N ATOM 483 CA ASN A 34 -9.249 -1.820 6.420 1.00 0.00 C ATOM 484 C ASN A 34 -9.478 -3.321 6.608 1.00 0.00 C ATOM 485 O ASN A 34 -9.097 -4.123 5.756 1.00 0.00 O ATOM 486 CB ASN A 34 -8.026 -1.421 7.250 1.00 0.00 C ATOM 487 CG ASN A 34 -7.497 -0.051 6.824 1.00 0.00 C ATOM 488 OD1 ASN A 34 -7.244 0.211 5.660 1.00 0.00 O ATOM 489 ND2 ASN A 34 -7.345 0.807 7.829 1.00 0.00 N ATOM 0 H ASN A 34 -10.261 -0.386 7.562 1.00 0.00 H new ATOM 0 HA ASN A 34 -9.069 -1.579 5.372 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -8.291 -1.400 8.307 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -7.243 -2.170 7.133 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -6.998 1.749 7.647 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -7.576 0.523 8.781 1.00 0.00 H new ATOM 495 N ALA A 35 -10.100 -3.656 7.730 1.00 0.00 N ATOM 496 CA ALA A 35 -10.385 -5.046 8.041 1.00 0.00 C ATOM 497 C ALA A 35 -11.345 -5.612 6.992 1.00 0.00 C ATOM 498 O ALA A 35 -11.133 -6.710 6.478 1.00 0.00 O ATOM 499 CB ALA A 35 -10.948 -5.147 9.460 1.00 0.00 C ATOM 0 H ALA A 35 -10.414 -2.988 8.434 1.00 0.00 H new ATOM 0 HA ALA A 35 -9.472 -5.641 8.009 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -11.162 -6.190 9.693 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -10.217 -4.759 10.170 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -11.866 -4.564 9.529 1.00 0.00 H new ATOM 505 N MET A 36 -12.381 -4.837 6.705 1.00 0.00 N ATOM 506 CA MET A 36 -13.374 -5.247 5.727 1.00 0.00 C ATOM 507 C MET A 36 -12.748 -5.397 4.339 1.00 0.00 C ATOM 508 O MET A 36 -12.909 -6.431 3.690 1.00 0.00 O ATOM 509 CB MET A 36 -14.496 -4.207 5.670 1.00 0.00 C ATOM 510 CG MET A 36 -14.929 -3.792 7.078 1.00 0.00 C ATOM 511 SD MET A 36 -16.656 -4.171 7.322 1.00 0.00 S ATOM 512 CE MET A 36 -17.392 -2.656 6.732 1.00 0.00 C ATOM 0 H MET A 36 -12.554 -3.927 7.133 1.00 0.00 H new ATOM 0 HA MET A 36 -13.777 -6.213 6.031 1.00 0.00 H new ATOM 0 HB2 MET A 36 -14.157 -3.331 5.116 1.00 0.00 H new ATOM 0 HB3 MET A 36 -15.349 -4.616 5.129 1.00 0.00 H new ATOM 0 HG2 MET A 36 -14.325 -4.313 7.821 1.00 0.00 H new ATOM 0 HG3 MET A 36 -14.759 -2.725 7.220 1.00 0.00 H new ATOM 0 HE1 MET A 36 -18.450 -2.821 6.528 1.00 0.00 H new ATOM 0 HE2 MET A 36 -17.285 -1.880 7.490 1.00 0.00 H new ATOM 0 HE3 MET A 36 -16.891 -2.340 5.817 1.00 0.00 H new ATOM 520 N LEU A 37 -12.046 -4.353 3.925 1.00 0.00 N ATOM 521 CA LEU A 37 -11.395 -4.356 2.626 1.00 0.00 C ATOM 522 C LEU A 37 -10.506 -5.596 2.508 1.00 0.00 C ATOM 523 O LEU A 37 -10.439 -6.218 1.450 1.00 0.00 O ATOM 524 CB LEU A 37 -10.648 -3.040 2.398 1.00 0.00 C ATOM 525 CG LEU A 37 -11.517 -1.823 2.072 1.00 0.00 C ATOM 526 CD1 LEU A 37 -10.790 -0.523 2.422 1.00 0.00 C ATOM 527 CD2 LEU A 37 -11.972 -1.851 0.612 1.00 0.00 C ATOM 0 H LEU A 37 -11.914 -3.499 4.466 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.136 -4.418 1.829 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -10.065 -2.817 3.292 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -9.939 -3.184 1.583 1.00 0.00 H new ATOM 0 HG LEU A 37 -12.414 -1.867 2.689 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -11.428 0.327 2.181 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.557 -0.512 3.487 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -9.866 -0.457 1.848 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -12.588 -0.976 0.406 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -11.099 -1.843 -0.041 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -12.553 -2.755 0.429 1.00 0.00 H new ATOM 538 N GLN A 38 -9.848 -5.919 3.612 1.00 0.00 N ATOM 539 CA GLN A 38 -8.966 -7.073 3.647 1.00 0.00 C ATOM 540 C GLN A 38 -9.751 -8.351 3.341 1.00 0.00 C ATOM 541 O GLN A 38 -9.208 -9.297 2.773 1.00 0.00 O ATOM 542 CB GLN A 38 -8.253 -7.179 4.996 1.00 0.00 C ATOM 543 CG GLN A 38 -6.750 -7.393 4.807 1.00 0.00 C ATOM 544 CD GLN A 38 -6.191 -8.333 5.877 1.00 0.00 C ATOM 545 OE1 GLN A 38 -6.133 -8.012 7.053 1.00 0.00 O ATOM 546 NE2 GLN A 38 -5.784 -9.509 5.406 1.00 0.00 N ATOM 0 H GLN A 38 -9.908 -5.401 4.489 1.00 0.00 H new ATOM 0 HA GLN A 38 -8.203 -6.945 2.879 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -8.425 -6.271 5.574 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.672 -8.006 5.569 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -6.560 -7.809 3.817 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -6.234 -6.434 4.855 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -5.861 -9.714 4.410 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -5.395 -10.206 6.041 1.00 0.00 H new ATOM 553 N GLN A 39 -11.018 -8.336 3.729 1.00 0.00 N ATOM 554 CA GLN A 39 -11.884 -9.480 3.503 1.00 0.00 C ATOM 555 C GLN A 39 -12.191 -9.627 2.012 1.00 0.00 C ATOM 556 O GLN A 39 -11.993 -10.696 1.435 1.00 0.00 O ATOM 557 CB GLN A 39 -13.172 -9.363 4.320 1.00 0.00 C ATOM 558 CG GLN A 39 -13.513 -10.690 5.002 1.00 0.00 C ATOM 559 CD GLN A 39 -14.938 -11.132 4.662 1.00 0.00 C ATOM 560 OE1 GLN A 39 -15.803 -10.333 4.343 1.00 0.00 O ATOM 561 NE2 GLN A 39 -15.133 -12.444 4.749 1.00 0.00 N ATOM 0 H GLN A 39 -11.465 -7.549 4.199 1.00 0.00 H new ATOM 0 HA GLN A 39 -11.362 -10.377 3.836 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -13.060 -8.582 5.072 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -13.993 -9.063 3.669 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -12.806 -11.457 4.687 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -13.409 -10.585 6.082 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -14.365 -13.057 5.022 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -16.051 -12.838 4.543 1.00 0.00 H new ATOM 568 N LEU A 40 -12.671 -8.538 1.430 1.00 0.00 N ATOM 569 CA LEU A 40 -13.008 -8.532 0.016 1.00 0.00 C ATOM 570 C LEU A 40 -11.794 -8.987 -0.795 1.00 0.00 C ATOM 571 O LEU A 40 -11.928 -9.764 -1.739 1.00 0.00 O ATOM 572 CB LEU A 40 -13.548 -7.162 -0.400 1.00 0.00 C ATOM 573 CG LEU A 40 -14.761 -6.653 0.382 1.00 0.00 C ATOM 574 CD1 LEU A 40 -14.887 -5.132 0.267 1.00 0.00 C ATOM 575 CD2 LEU A 40 -16.038 -7.370 -0.059 1.00 0.00 C ATOM 0 H LEU A 40 -12.835 -7.654 1.911 1.00 0.00 H new ATOM 0 HA LEU A 40 -13.811 -9.240 -0.188 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -12.745 -6.432 -0.301 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -13.813 -7.204 -1.456 1.00 0.00 H new ATOM 0 HG LEU A 40 -14.611 -6.885 1.436 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -15.757 -4.795 0.831 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -13.989 -4.661 0.668 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -15.005 -4.855 -0.781 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -16.885 -6.990 0.512 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -16.207 -7.192 -1.121 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -15.933 -8.441 0.117 1.00 0.00 H new ATOM 586 N GLU A 41 -10.634 -8.482 -0.399 1.00 0.00 N ATOM 587 CA GLU A 41 -9.396 -8.827 -1.077 1.00 0.00 C ATOM 588 C GLU A 41 -9.179 -10.341 -1.048 1.00 0.00 C ATOM 589 O GLU A 41 -8.933 -10.957 -2.084 1.00 0.00 O ATOM 590 CB GLU A 41 -8.208 -8.090 -0.457 1.00 0.00 C ATOM 591 CG GLU A 41 -6.909 -8.427 -1.194 1.00 0.00 C ATOM 592 CD GLU A 41 -5.814 -8.843 -0.210 1.00 0.00 C ATOM 593 OE1 GLU A 41 -5.100 -7.982 0.324 1.00 0.00 O ATOM 594 OE2 GLU A 41 -5.717 -10.114 -0.007 1.00 0.00 O ATOM 0 H GLU A 41 -10.526 -7.836 0.383 1.00 0.00 H new ATOM 0 HA GLU A 41 -9.474 -8.511 -2.117 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -8.383 -7.015 -0.494 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -8.115 -8.362 0.594 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -7.089 -9.233 -1.906 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.577 -7.562 -1.769 1.00 0.00 H new ATOM 600 N SER A 42 -9.277 -10.898 0.151 1.00 0.00 N ATOM 601 CA SER A 42 -9.094 -12.328 0.329 1.00 0.00 C ATOM 602 C SER A 42 -10.028 -13.096 -0.609 1.00 0.00 C ATOM 603 O SER A 42 -9.602 -14.029 -1.288 1.00 0.00 O ATOM 604 CB SER A 42 -9.345 -12.740 1.781 1.00 0.00 C ATOM 605 OG SER A 42 -8.666 -13.945 2.120 1.00 0.00 O ATOM 0 H SER A 42 -9.481 -10.384 1.008 1.00 0.00 H new ATOM 0 HA SER A 42 -8.061 -12.573 0.084 1.00 0.00 H new ATOM 0 HB2 SER A 42 -9.018 -11.941 2.446 1.00 0.00 H new ATOM 0 HB3 SER A 42 -10.415 -12.870 1.941 1.00 0.00 H new ATOM 0 HG SER A 42 -8.851 -14.173 3.055 1.00 0.00 H new ATOM 610 N MET A 43 -11.284 -12.675 -0.616 1.00 0.00 N ATOM 611 CA MET A 43 -12.282 -13.312 -1.458 1.00 0.00 C ATOM 612 C MET A 43 -11.992 -13.057 -2.940 1.00 0.00 C ATOM 613 O MET A 43 -12.091 -13.966 -3.761 1.00 0.00 O ATOM 614 CB MET A 43 -13.669 -12.768 -1.109 1.00 0.00 C ATOM 615 CG MET A 43 -14.148 -13.316 0.238 1.00 0.00 C ATOM 616 SD MET A 43 -15.895 -13.671 0.166 1.00 0.00 S ATOM 617 CE MET A 43 -16.207 -14.041 1.883 1.00 0.00 C ATOM 0 H MET A 43 -11.633 -11.900 -0.052 1.00 0.00 H new ATOM 0 HA MET A 43 -12.248 -14.387 -1.279 1.00 0.00 H new ATOM 0 HB2 MET A 43 -13.638 -11.679 -1.073 1.00 0.00 H new ATOM 0 HB3 MET A 43 -14.378 -13.041 -1.890 1.00 0.00 H new ATOM 0 HG2 MET A 43 -13.595 -14.221 0.489 1.00 0.00 H new ATOM 0 HG3 MET A 43 -13.948 -12.591 1.027 1.00 0.00 H new ATOM 0 HE1 MET A 43 -17.069 -14.704 1.962 1.00 0.00 H new ATOM 0 HE2 MET A 43 -15.333 -14.529 2.315 1.00 0.00 H new ATOM 0 HE3 MET A 43 -16.410 -13.116 2.423 1.00 0.00 H new ATOM 625 N GLY A 44 -11.640 -11.813 -3.234 1.00 0.00 N ATOM 626 CA GLY A 44 -11.335 -11.427 -4.602 1.00 0.00 C ATOM 627 C GLY A 44 -12.472 -10.598 -5.203 1.00 0.00 C ATOM 628 O GLY A 44 -12.884 -10.833 -6.338 1.00 0.00 O ATOM 0 H GLY A 44 -11.559 -11.061 -2.550 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -10.410 -10.852 -4.624 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -11.170 -12.318 -5.207 1.00 0.00 H new ATOM 632 N LYS A 45 -12.946 -9.643 -4.416 1.00 0.00 N ATOM 633 CA LYS A 45 -14.028 -8.778 -4.855 1.00 0.00 C ATOM 634 C LYS A 45 -13.448 -7.438 -5.313 1.00 0.00 C ATOM 635 O LYS A 45 -13.682 -7.009 -6.442 1.00 0.00 O ATOM 636 CB LYS A 45 -15.089 -8.647 -3.762 1.00 0.00 C ATOM 637 CG LYS A 45 -15.257 -9.964 -3.001 1.00 0.00 C ATOM 638 CD LYS A 45 -16.217 -10.903 -3.736 1.00 0.00 C ATOM 639 CE LYS A 45 -16.967 -11.802 -2.750 1.00 0.00 C ATOM 640 NZ LYS A 45 -17.946 -11.013 -1.970 1.00 0.00 N ATOM 0 H LYS A 45 -12.600 -9.449 -3.476 1.00 0.00 H new ATOM 0 HA LYS A 45 -14.541 -9.215 -5.712 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.806 -7.855 -3.068 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -16.041 -8.356 -4.207 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -14.287 -10.448 -2.885 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -15.635 -9.763 -1.999 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -16.931 -10.318 -4.316 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -15.660 -11.518 -4.443 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -17.480 -12.597 -3.291 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -16.258 -12.282 -2.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -18.682 -11.645 -1.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -17.461 -10.541 -1.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -18.384 -10.297 -2.585 1.00 0.00 H new ATOM 649 N ALA A 46 -12.702 -6.814 -4.413 1.00 0.00 N ATOM 650 CA ALA A 46 -12.088 -5.532 -4.710 1.00 0.00 C ATOM 651 C ALA A 46 -10.664 -5.760 -5.224 1.00 0.00 C ATOM 652 O ALA A 46 -10.187 -6.893 -5.258 1.00 0.00 O ATOM 653 CB ALA A 46 -12.122 -4.648 -3.462 1.00 0.00 C ATOM 0 H ALA A 46 -12.509 -7.173 -3.478 1.00 0.00 H new ATOM 0 HA ALA A 46 -12.642 -5.013 -5.492 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -11.661 -3.686 -3.685 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -13.156 -4.492 -3.154 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -11.573 -5.135 -2.656 1.00 0.00 H new ATOM 659 N VAL A 47 -10.026 -4.666 -5.611 1.00 0.00 N ATOM 660 CA VAL A 47 -8.667 -4.732 -6.121 1.00 0.00 C ATOM 661 C VAL A 47 -7.814 -3.667 -5.430 1.00 0.00 C ATOM 662 O VAL A 47 -8.343 -2.685 -4.907 1.00 0.00 O ATOM 663 CB VAL A 47 -8.674 -4.596 -7.645 1.00 0.00 C ATOM 664 CG1 VAL A 47 -9.206 -5.869 -8.307 1.00 0.00 C ATOM 665 CG2 VAL A 47 -9.479 -3.372 -8.083 1.00 0.00 C ATOM 0 H VAL A 47 -10.425 -3.728 -5.582 1.00 0.00 H new ATOM 0 HA VAL A 47 -8.221 -5.701 -5.896 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.644 -4.454 -7.973 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.200 -5.746 -9.390 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -8.572 -6.713 -8.035 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -10.225 -6.057 -7.969 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -9.468 -3.299 -9.171 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -10.508 -3.470 -7.737 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -9.036 -2.473 -7.654 1.00 0.00 H new ATOM 675 N ARG A 48 -6.510 -3.895 -5.447 1.00 0.00 N ATOM 676 CA ARG A 48 -5.578 -2.967 -4.828 1.00 0.00 C ATOM 677 C ARG A 48 -5.092 -1.941 -5.852 1.00 0.00 C ATOM 678 O ARG A 48 -4.765 -2.294 -6.983 1.00 0.00 O ATOM 679 CB ARG A 48 -4.372 -3.705 -4.243 1.00 0.00 C ATOM 680 CG ARG A 48 -3.635 -2.832 -3.226 1.00 0.00 C ATOM 681 CD ARG A 48 -3.453 -3.571 -1.899 1.00 0.00 C ATOM 682 NE ARG A 48 -2.216 -3.109 -1.229 1.00 0.00 N ATOM 683 CZ ARG A 48 -1.653 -3.729 -0.169 1.00 0.00 C ATOM 684 NH1 ARG A 48 -2.213 -4.841 0.351 1.00 0.00 N ATOM 685 NH2 ARG A 48 -0.547 -3.230 0.351 1.00 0.00 N ATOM 0 H ARG A 48 -6.075 -4.710 -5.880 1.00 0.00 H new ATOM 0 HA ARG A 48 -6.104 -2.458 -4.021 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -4.703 -4.627 -3.764 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -3.691 -3.989 -5.045 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -2.661 -2.547 -3.624 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -4.193 -1.911 -3.060 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -4.314 -3.395 -1.254 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -3.402 -4.645 -2.075 1.00 0.00 H new ATOM 0 HE ARG A 48 -1.761 -2.271 -1.590 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -3.068 -5.220 -0.056 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -1.781 -5.303 1.151 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -0.130 -2.389 -0.048 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -0.109 -3.686 1.152 1.00 0.00 H new ATOM 695 N ILE A 49 -5.063 -0.688 -5.419 1.00 0.00 N ATOM 696 CA ILE A 49 -4.622 0.393 -6.284 1.00 0.00 C ATOM 697 C ILE A 49 -3.390 1.060 -5.673 1.00 0.00 C ATOM 698 O ILE A 49 -3.219 1.059 -4.453 1.00 0.00 O ATOM 699 CB ILE A 49 -5.774 1.361 -6.560 1.00 0.00 C ATOM 700 CG1 ILE A 49 -6.843 0.707 -7.436 1.00 0.00 C ATOM 701 CG2 ILE A 49 -5.259 2.669 -7.164 1.00 0.00 C ATOM 702 CD1 ILE A 49 -7.808 -0.130 -6.594 1.00 0.00 C ATOM 0 H ILE A 49 -5.338 -0.398 -4.480 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.323 0.004 -7.257 1.00 0.00 H new ATOM 0 HB ILE A 49 -6.246 1.609 -5.609 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -7.398 1.476 -7.974 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -6.367 0.075 -8.185 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.098 3.339 -7.350 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -4.565 3.142 -6.470 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.747 2.459 -8.103 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -8.558 -0.583 -7.243 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -7.254 -0.913 -6.077 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -8.301 0.510 -5.862 1.00 0.00 H new ATOM 713 N GLN A 50 -2.563 1.617 -6.545 1.00 0.00 N ATOM 714 CA GLN A 50 -1.351 2.287 -6.106 1.00 0.00 C ATOM 715 C GLN A 50 -1.468 3.796 -6.328 1.00 0.00 C ATOM 716 O GLN A 50 -2.187 4.241 -7.221 1.00 0.00 O ATOM 717 CB GLN A 50 -0.121 1.721 -6.820 1.00 0.00 C ATOM 718 CG GLN A 50 1.121 2.563 -6.521 1.00 0.00 C ATOM 719 CD GLN A 50 2.400 1.770 -6.799 1.00 0.00 C ATOM 720 OE1 GLN A 50 2.704 1.407 -7.923 1.00 0.00 O ATOM 721 NE2 GLN A 50 3.129 1.523 -5.715 1.00 0.00 N ATOM 0 H GLN A 50 -2.709 1.618 -7.555 1.00 0.00 H new ATOM 0 HA GLN A 50 -1.226 2.105 -5.039 1.00 0.00 H new ATOM 0 HB2 GLN A 50 0.047 0.692 -6.502 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -0.299 1.697 -7.895 1.00 0.00 H new ATOM 0 HG2 GLN A 50 1.108 3.466 -7.132 1.00 0.00 H new ATOM 0 HG3 GLN A 50 1.106 2.883 -5.479 1.00 0.00 H new ATOM 0 HE21 GLN A 50 2.816 1.856 -4.803 1.00 0.00 H new ATOM 0 HE22 GLN A 50 4.001 1.000 -5.795 1.00 0.00 H new ATOM 728 N GLU A 51 -0.751 4.542 -5.500 1.00 0.00 N ATOM 729 CA GLU A 51 -0.765 5.992 -5.596 1.00 0.00 C ATOM 730 C GLU A 51 0.618 6.512 -5.992 1.00 0.00 C ATOM 731 O GLU A 51 1.583 5.749 -6.036 1.00 0.00 O ATOM 732 CB GLU A 51 -1.234 6.622 -4.283 1.00 0.00 C ATOM 733 CG GLU A 51 -2.661 7.158 -4.411 1.00 0.00 C ATOM 734 CD GLU A 51 -2.725 8.642 -4.043 1.00 0.00 C ATOM 735 OE1 GLU A 51 -2.681 8.989 -2.854 1.00 0.00 O ATOM 736 OE2 GLU A 51 -2.822 9.449 -5.046 1.00 0.00 O ATOM 0 H GLU A 51 -0.157 4.169 -4.760 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.474 6.279 -6.373 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.190 5.882 -3.484 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.561 7.433 -4.004 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -3.016 7.017 -5.432 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.326 6.590 -3.761 1.00 0.00 H new ATOM 975 N ARG A 72 0.460 4.449 0.198 1.00 0.00 N ATOM 976 CA ARG A 72 -0.879 4.115 0.655 1.00 0.00 C ATOM 977 C ARG A 72 -1.723 3.596 -0.510 1.00 0.00 C ATOM 978 O ARG A 72 -2.381 4.374 -1.199 1.00 0.00 O ATOM 979 CB ARG A 72 -1.569 5.332 1.274 1.00 0.00 C ATOM 980 CG ARG A 72 -1.494 5.285 2.802 1.00 0.00 C ATOM 981 CD ARG A 72 -2.884 5.428 3.424 1.00 0.00 C ATOM 982 NE ARG A 72 -2.796 5.299 4.895 1.00 0.00 N ATOM 983 CZ ARG A 72 -3.767 5.691 5.748 1.00 0.00 C ATOM 984 NH1 ARG A 72 -4.910 6.238 5.282 1.00 0.00 N ATOM 985 NH2 ARG A 72 -3.582 5.528 7.045 1.00 0.00 N ATOM 0 HA ARG A 72 -0.786 3.339 1.415 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -1.098 6.246 0.911 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -2.612 5.363 0.958 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -1.045 4.344 3.119 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -0.846 6.084 3.163 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -3.312 6.395 3.161 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -3.551 4.665 3.023 1.00 0.00 H new ATOM 0 HE ARG A 72 -1.950 4.889 5.290 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -5.046 6.358 4.278 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -5.638 6.531 5.934 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -2.716 5.112 7.388 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -4.305 5.818 7.704 1.00 0.00 H new ATOM 995 N GLU A 73 -1.677 2.285 -0.695 1.00 0.00 N ATOM 996 CA GLU A 73 -2.431 1.652 -1.765 1.00 0.00 C ATOM 997 C GLU A 73 -3.927 1.921 -1.590 1.00 0.00 C ATOM 998 O GLU A 73 -4.448 1.853 -0.478 1.00 0.00 O ATOM 999 CB GLU A 73 -2.146 0.150 -1.822 1.00 0.00 C ATOM 1000 CG GLU A 73 -0.680 -0.117 -2.167 1.00 0.00 C ATOM 1001 CD GLU A 73 0.061 -0.728 -0.976 1.00 0.00 C ATOM 1002 OE1 GLU A 73 -0.125 -0.279 0.166 1.00 0.00 O ATOM 1003 OE2 GLU A 73 0.853 -1.703 -1.267 1.00 0.00 O ATOM 0 H GLU A 73 -1.129 1.643 -0.122 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.113 2.084 -2.714 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -2.386 -0.306 -0.862 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -2.790 -0.318 -2.567 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -0.621 -0.791 -3.021 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.197 0.814 -2.462 1.00 0.00 H new ATOM 1009 N TRP A 74 -4.576 2.220 -2.707 1.00 0.00 N ATOM 1010 CA TRP A 74 -6.002 2.498 -2.692 1.00 0.00 C ATOM 1011 C TRP A 74 -6.743 1.185 -2.948 1.00 0.00 C ATOM 1012 O TRP A 74 -6.129 0.183 -3.311 1.00 0.00 O ATOM 1013 CB TRP A 74 -6.357 3.593 -3.700 1.00 0.00 C ATOM 1014 CG TRP A 74 -6.001 5.007 -3.236 1.00 0.00 C ATOM 1015 CD1 TRP A 74 -5.667 5.410 -2.003 1.00 0.00 C ATOM 1016 CD2 TRP A 74 -5.957 6.194 -4.054 1.00 0.00 C ATOM 1017 NE1 TRP A 74 -5.412 6.766 -1.966 1.00 0.00 N ATOM 1018 CE2 TRP A 74 -5.594 7.259 -3.253 1.00 0.00 C ATOM 1019 CE3 TRP A 74 -6.215 6.365 -5.425 1.00 0.00 C ATOM 1020 CZ2 TRP A 74 -5.457 8.567 -3.732 1.00 0.00 C ATOM 1021 CZ3 TRP A 74 -6.074 7.679 -5.889 1.00 0.00 C ATOM 1022 CH2 TRP A 74 -5.709 8.760 -5.095 1.00 0.00 C ATOM 0 H TRP A 74 -4.140 2.276 -3.628 1.00 0.00 H new ATOM 0 HA TRP A 74 -6.310 2.886 -1.721 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -5.841 3.389 -4.638 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -7.426 3.548 -3.908 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -5.605 4.756 -1.146 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -5.140 7.307 -1.145 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -6.500 5.547 -6.070 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -5.172 9.383 -3.085 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -6.262 7.865 -6.936 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -5.620 9.745 -5.528 1.00 0.00 H new ATOM 1032 N TRP A 75 -8.052 1.233 -2.750 1.00 0.00 N ATOM 1033 CA TRP A 75 -8.884 0.060 -2.955 1.00 0.00 C ATOM 1034 C TRP A 75 -9.999 0.436 -3.932 1.00 0.00 C ATOM 1035 O TRP A 75 -10.443 1.582 -3.962 1.00 0.00 O ATOM 1036 CB TRP A 75 -9.412 -0.478 -1.623 1.00 0.00 C ATOM 1037 CG TRP A 75 -8.324 -1.032 -0.701 1.00 0.00 C ATOM 1038 CD1 TRP A 75 -7.687 -0.402 0.295 1.00 0.00 C ATOM 1039 CD2 TRP A 75 -7.768 -2.365 -0.730 1.00 0.00 C ATOM 1040 NE1 TRP A 75 -6.765 -1.226 0.908 1.00 0.00 N ATOM 1041 CE2 TRP A 75 -6.817 -2.457 0.265 1.00 0.00 C ATOM 1042 CE3 TRP A 75 -8.060 -3.454 -1.569 1.00 0.00 C ATOM 1043 CZ2 TRP A 75 -6.079 -3.621 0.514 1.00 0.00 C ATOM 1044 CZ3 TRP A 75 -7.314 -4.610 -1.307 1.00 0.00 C ATOM 1045 CH2 TRP A 75 -6.354 -4.719 -0.310 1.00 0.00 C ATOM 0 H TRP A 75 -8.557 2.067 -2.450 1.00 0.00 H new ATOM 0 HA TRP A 75 -8.302 -0.754 -3.387 1.00 0.00 H new ATOM 0 HB2 TRP A 75 -9.941 0.321 -1.104 1.00 0.00 H new ATOM 0 HB3 TRP A 75 -10.140 -1.265 -1.823 1.00 0.00 H new ATOM 0 HD1 TRP A 75 -7.872 0.623 0.582 1.00 0.00 H new ATOM 0 HE1 TRP A 75 -6.158 -0.977 1.689 1.00 0.00 H new ATOM 0 HE3 TRP A 75 -8.801 -3.403 -2.353 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 -5.338 -3.669 1.299 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 -7.498 -5.477 -1.924 1.00 0.00 H new ATOM 0 HH2 TRP A 75 -5.821 -5.648 -0.170 1.00 0.00 H new ATOM 1055 N ALA A 76 -10.420 -0.552 -4.709 1.00 0.00 N ATOM 1056 CA ALA A 76 -11.475 -0.339 -5.685 1.00 0.00 C ATOM 1057 C ALA A 76 -12.173 -1.669 -5.974 1.00 0.00 C ATOM 1058 O ALA A 76 -11.618 -2.736 -5.712 1.00 0.00 O ATOM 1059 CB ALA A 76 -10.884 0.294 -6.946 1.00 0.00 C ATOM 0 H ALA A 76 -10.049 -1.502 -4.682 1.00 0.00 H new ATOM 0 HA ALA A 76 -12.225 0.349 -5.295 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -11.676 0.454 -7.678 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -10.426 1.250 -6.693 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -10.129 -0.370 -7.367 1.00 0.00 H new ATOM 1065 N LEU A 77 -13.380 -1.564 -6.509 1.00 0.00 N ATOM 1066 CA LEU A 77 -14.160 -2.746 -6.835 1.00 0.00 C ATOM 1067 C LEU A 77 -13.606 -3.379 -8.114 1.00 0.00 C ATOM 1068 O LEU A 77 -12.936 -2.714 -8.901 1.00 0.00 O ATOM 1069 CB LEU A 77 -15.648 -2.401 -6.914 1.00 0.00 C ATOM 1070 CG LEU A 77 -16.210 -1.582 -5.751 1.00 0.00 C ATOM 1071 CD1 LEU A 77 -17.684 -1.242 -5.981 1.00 0.00 C ATOM 1072 CD2 LEU A 77 -15.989 -2.302 -4.418 1.00 0.00 C ATOM 0 H LEU A 77 -13.837 -0.678 -6.725 1.00 0.00 H new ATOM 0 HA LEU A 77 -14.072 -3.492 -6.045 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -15.824 -1.851 -7.838 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -16.213 -3.331 -6.984 1.00 0.00 H new ATOM 0 HG LEU A 77 -15.666 -0.639 -5.703 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -18.059 -0.659 -5.139 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -17.785 -0.661 -6.898 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -18.260 -2.163 -6.070 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -16.397 -1.699 -3.607 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -16.491 -3.269 -4.439 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -14.921 -2.451 -4.257 1.00 0.00 H new ATOM 1083 N ARG A 78 -13.908 -4.659 -8.280 1.00 0.00 N ATOM 1084 CA ARG A 78 -13.449 -5.390 -9.449 1.00 0.00 C ATOM 1085 C ARG A 78 -14.510 -5.348 -10.551 1.00 0.00 C ATOM 1086 O ARG A 78 -15.544 -4.702 -10.397 1.00 0.00 O ATOM 1087 CB ARG A 78 -13.142 -6.848 -9.102 1.00 0.00 C ATOM 1088 CG ARG A 78 -12.768 -7.643 -10.354 1.00 0.00 C ATOM 1089 CD ARG A 78 -11.355 -7.295 -10.824 1.00 0.00 C ATOM 1090 NE ARG A 78 -11.264 -7.424 -12.295 1.00 0.00 N ATOM 1091 CZ ARG A 78 -10.277 -6.883 -13.042 1.00 0.00 C ATOM 1092 NH1 ARG A 78 -9.289 -6.171 -12.461 1.00 0.00 N ATOM 1093 NH2 ARG A 78 -10.295 -7.060 -14.350 1.00 0.00 N ATOM 0 H ARG A 78 -14.465 -5.208 -7.625 1.00 0.00 H new ATOM 0 HA ARG A 78 -12.535 -4.912 -9.801 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -12.324 -6.890 -8.383 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -14.010 -7.302 -8.624 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -12.832 -8.711 -10.144 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -13.482 -7.431 -11.150 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -11.103 -6.278 -10.524 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -10.631 -7.956 -10.347 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.991 -7.954 -12.775 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -9.283 -6.038 -11.450 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -8.548 -5.766 -13.033 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -11.046 -7.598 -14.782 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -9.558 -6.658 -14.929 1.00 0.00 H new