USER MOD reduce.3.24.130724 H: found=0, std=0, add=378, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 381 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 NoAdj-H: B 34 HIS HE2 : B 34 HIS NE2 : B 55 ZNZN :(H bumps) USER MOD Single : A 1 DA O5' : rot 180:sc= 0 USER MOD Single : A 5 DC O3' : rot 180:sc= 0 USER MOD Single : B 19 SER OG : rot 180:sc= 0.0016 USER MOD Single : B 20 GLN : amide:sc= 1.38 K(o=1.4,f=-4.6!) USER MOD Single : B 25 GLN : amide:sc= -0.473 X(o=-0.47,f=-0.052) USER MOD Single : B 28 TYR OH : rot 180:sc= 0 USER MOD Single : B 30 LYS NZ :NH3+ -156:sc= 0.769 (180deg=0.46) USER MOD Single : B 32 LYS NZ :NH3+ -176:sc= -0.108 (180deg=-0.127) USER MOD Single : B 37 LYS NZ :NH3+ 154:sc= 1.37 (180deg=1.21) USER MOD Single : B 41 LYS NZ :NH3+ 179:sc= 0.853 (180deg=0.849) USER MOD Single : B 42 LYS NZ :NH3+ 178:sc= 0.364 (180deg=0.357) USER MOD Single : B 52 GLN : amide:sc= -0.644 K(o=-0.64,f=-2) USER MOD Single : B 53 THR OG1 : rot -23:sc= 0.604 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DA A 1 0.862 -8.637 0.013 1.00 0.00 O ATOM 2 C5' DA A 1 2.160 -8.411 0.520 1.00 0.00 C ATOM 3 C4' DA A 1 2.125 -8.216 2.042 1.00 0.00 C ATOM 4 O4' DA A 1 3.454 -8.227 2.546 1.00 0.00 O ATOM 5 C3' DA A 1 1.477 -6.894 2.465 1.00 0.00 C ATOM 6 O3' DA A 1 0.893 -7.037 3.751 1.00 0.00 O ATOM 7 C2' DA A 1 2.726 -6.041 2.532 1.00 0.00 C ATOM 8 C1' DA A 1 3.674 -7.008 3.227 1.00 0.00 C ATOM 9 N9 DA A 1 5.096 -6.614 3.150 1.00 0.00 N ATOM 10 C8 DA A 1 5.767 -6.014 2.117 1.00 0.00 C ATOM 11 N7 DA A 1 7.041 -5.843 2.331 1.00 0.00 N ATOM 12 C5 DA A 1 7.230 -6.349 3.610 1.00 0.00 C ATOM 13 C6 DA A 1 8.361 -6.449 4.448 1.00 0.00 C ATOM 14 N6 DA A 1 9.578 -6.032 4.077 1.00 0.00 N ATOM 15 N1 DA A 1 8.205 -6.984 5.674 1.00 0.00 N ATOM 16 C2 DA A 1 6.995 -7.390 6.052 1.00 0.00 C ATOM 17 N3 DA A 1 5.857 -7.350 5.361 1.00 0.00 N ATOM 18 C4 DA A 1 6.044 -6.809 4.127 1.00 0.00 C ATOM 0 H5' DA A 1 2.592 -7.530 0.046 1.00 0.00 H new ATOM 0 H5'' DA A 1 2.804 -9.255 0.272 1.00 0.00 H new ATOM 0 H4' DA A 1 1.526 -9.032 2.446 1.00 0.00 H new ATOM 0 H3' DA A 1 0.682 -6.513 1.824 1.00 0.00 H new ATOM 0 H2' DA A 1 3.082 -5.746 1.545 1.00 0.00 H new ATOM 0 H2'' DA A 1 2.574 -5.125 3.103 1.00 0.00 H new ATOM 0 HO5' DA A 1 0.907 -8.757 -0.959 1.00 0.00 H new ATOM 0 H1' DA A 1 3.475 -7.051 4.298 1.00 0.00 H new ATOM 0 H8 DA A 1 5.281 -5.708 1.202 1.00 0.00 H new ATOM 0 H61 DA A 1 10.366 -6.125 4.718 1.00 0.00 H new ATOM 0 H62 DA A 1 9.717 -5.621 3.154 1.00 0.00 H new ATOM 0 H2 DA A 1 6.927 -7.805 7.047 1.00 0.00 H new ATOM 31 P DC A 2 -0.252 -6.044 4.307 1.00 0.00 P ATOM 32 OP1 DC A 2 -0.646 -6.505 5.656 1.00 0.00 O ATOM 33 OP2 DC A 2 -1.298 -5.913 3.270 1.00 0.00 O ATOM 34 O5' DC A 2 0.411 -4.579 4.459 1.00 0.00 O ATOM 35 C5' DC A 2 0.699 -3.971 5.707 1.00 0.00 C ATOM 36 C4' DC A 2 2.038 -4.453 6.266 1.00 0.00 C ATOM 37 O4' DC A 2 3.018 -4.336 5.252 1.00 0.00 O ATOM 38 C3' DC A 2 2.519 -3.572 7.435 1.00 0.00 C ATOM 39 O3' DC A 2 2.749 -4.357 8.591 1.00 0.00 O ATOM 40 C2' DC A 2 3.841 -3.021 6.903 1.00 0.00 C ATOM 41 C1' DC A 2 4.239 -4.072 5.890 1.00 0.00 C ATOM 42 N1 DC A 2 5.317 -3.578 4.997 1.00 0.00 N ATOM 43 C2 DC A 2 6.635 -3.657 5.451 1.00 0.00 C ATOM 44 O2 DC A 2 6.891 -4.073 6.579 1.00 0.00 O ATOM 45 N3 DC A 2 7.637 -3.273 4.609 1.00 0.00 N ATOM 46 C4 DC A 2 7.371 -2.825 3.375 1.00 0.00 C ATOM 47 N4 DC A 2 8.394 -2.495 2.579 1.00 0.00 N ATOM 48 C5 DC A 2 6.018 -2.683 2.911 1.00 0.00 C ATOM 49 C6 DC A 2 5.034 -3.056 3.762 1.00 0.00 C ATOM 0 H5' DC A 2 -0.096 -4.199 6.417 1.00 0.00 H new ATOM 0 H5'' DC A 2 0.721 -2.888 5.589 1.00 0.00 H new ATOM 0 H4' DC A 2 1.902 -5.479 6.608 1.00 0.00 H new ATOM 0 H3' DC A 2 1.802 -2.805 7.726 1.00 0.00 H new ATOM 0 H2' DC A 2 3.718 -2.040 6.445 1.00 0.00 H new ATOM 0 H2'' DC A 2 4.585 -2.914 7.692 1.00 0.00 H new ATOM 0 H1' DC A 2 4.679 -4.978 6.308 1.00 0.00 H new ATOM 0 H41 DC A 2 8.216 -2.152 1.635 1.00 0.00 H new ATOM 0 H42 DC A 2 9.352 -2.587 2.916 1.00 0.00 H new ATOM 0 H5 DC A 2 5.797 -2.296 1.927 1.00 0.00 H new ATOM 0 H6 DC A 2 4.003 -2.940 3.461 1.00 0.00 H new ATOM 61 P DG A 3 2.777 -3.709 10.074 1.00 0.00 P ATOM 62 OP1 DG A 3 3.301 -4.735 11.003 1.00 0.00 O ATOM 63 OP2 DG A 3 1.451 -3.103 10.329 1.00 0.00 O ATOM 64 O5' DG A 3 3.877 -2.526 9.970 1.00 0.00 O ATOM 65 C5' DG A 3 3.505 -1.162 10.051 1.00 0.00 C ATOM 66 C4' DG A 3 4.668 -0.241 9.648 1.00 0.00 C ATOM 67 O4' DG A 3 4.863 -0.372 8.243 1.00 0.00 O ATOM 68 C3' DG A 3 4.274 1.215 9.933 1.00 0.00 C ATOM 69 O3' DG A 3 5.274 2.078 10.475 1.00 0.00 O ATOM 70 C2' DG A 3 3.710 1.666 8.600 1.00 0.00 C ATOM 71 C1' DG A 3 4.473 0.816 7.577 1.00 0.00 C ATOM 72 N9 DG A 3 3.708 0.535 6.329 1.00 0.00 N ATOM 73 C8 DG A 3 2.355 0.354 6.159 1.00 0.00 C ATOM 74 N7 DG A 3 1.978 0.234 4.917 1.00 0.00 N ATOM 75 C5 DG A 3 3.165 0.306 4.200 1.00 0.00 C ATOM 76 C6 DG A 3 3.385 0.277 2.789 1.00 0.00 C ATOM 77 O6 DG A 3 2.552 0.218 1.890 1.00 0.00 O ATOM 78 N1 DG A 3 4.731 0.344 2.457 1.00 0.00 N ATOM 79 C2 DG A 3 5.755 0.394 3.380 1.00 0.00 C ATOM 80 N2 DG A 3 6.994 0.331 2.886 1.00 0.00 N ATOM 81 N3 DG A 3 5.557 0.468 4.709 1.00 0.00 N ATOM 82 C4 DG A 3 4.237 0.430 5.056 1.00 0.00 C ATOM 0 H5' DG A 3 3.189 -0.929 11.068 1.00 0.00 H new ATOM 0 H5'' DG A 3 2.650 -0.977 9.401 1.00 0.00 H new ATOM 0 H4' DG A 3 5.569 -0.506 10.202 1.00 0.00 H new ATOM 0 H3' DG A 3 3.567 1.271 10.761 1.00 0.00 H new ATOM 0 H2' DG A 3 2.635 1.495 8.541 1.00 0.00 H new ATOM 0 H2'' DG A 3 3.872 2.731 8.436 1.00 0.00 H new ATOM 0 H1' DG A 3 5.340 1.373 7.223 1.00 0.00 H new ATOM 0 H8 DG A 3 1.662 0.315 6.986 1.00 0.00 H new ATOM 0 H1 DG A 3 4.979 0.357 1.468 1.00 0.00 H new ATOM 0 H21 DG A 3 7.796 0.363 3.515 1.00 0.00 H new ATOM 0 H22 DG A 3 7.138 0.251 1.879 1.00 0.00 H new ATOM 94 P DC A 4 6.698 2.465 9.790 1.00 0.00 P ATOM 95 OP1 DC A 4 7.167 1.310 8.993 1.00 0.00 O ATOM 96 OP2 DC A 4 7.564 2.968 10.877 1.00 0.00 O ATOM 97 O5' DC A 4 6.424 3.718 8.781 1.00 0.00 O ATOM 98 C5' DC A 4 7.511 4.297 8.068 1.00 0.00 C ATOM 99 C4' DC A 4 7.254 5.594 7.281 1.00 0.00 C ATOM 100 O4' DC A 4 6.426 5.434 6.142 1.00 0.00 O ATOM 101 C3' DC A 4 6.611 6.739 8.057 1.00 0.00 C ATOM 102 O3' DC A 4 7.552 7.541 8.743 1.00 0.00 O ATOM 103 C2' DC A 4 5.959 7.561 6.944 1.00 0.00 C ATOM 104 C1' DC A 4 6.173 6.741 5.664 1.00 0.00 C ATOM 105 N1 DC A 4 5.031 6.858 4.705 1.00 0.00 N ATOM 106 C2 DC A 4 5.284 7.200 3.370 1.00 0.00 C ATOM 107 O2 DC A 4 6.419 7.467 2.978 1.00 0.00 O ATOM 108 N3 DC A 4 4.237 7.241 2.497 1.00 0.00 N ATOM 109 C4 DC A 4 2.986 6.975 2.891 1.00 0.00 C ATOM 110 N4 DC A 4 2.009 6.972 1.977 1.00 0.00 N ATOM 111 C5 DC A 4 2.689 6.698 4.267 1.00 0.00 C ATOM 112 C6 DC A 4 3.738 6.653 5.124 1.00 0.00 C ATOM 0 H5' DC A 4 7.885 3.551 7.367 1.00 0.00 H new ATOM 0 H5'' DC A 4 8.311 4.493 8.782 1.00 0.00 H new ATOM 0 H4' DC A 4 8.281 5.845 7.016 1.00 0.00 H new ATOM 0 H3' DC A 4 5.932 6.375 8.829 1.00 0.00 H new ATOM 0 H2' DC A 4 4.898 7.718 7.139 1.00 0.00 H new ATOM 0 H2'' DC A 4 6.417 8.547 6.862 1.00 0.00 H new ATOM 0 H1' DC A 4 7.004 7.098 5.055 1.00 0.00 H new ATOM 0 H41 DC A 4 1.049 6.772 2.257 1.00 0.00 H new ATOM 0 H42 DC A 4 2.224 7.170 1.000 1.00 0.00 H new ATOM 0 H5 DC A 4 1.676 6.533 4.604 1.00 0.00 H new ATOM 0 H6 DC A 4 3.552 6.450 6.168 1.00 0.00 H new ATOM 124 P DC A 5 8.048 7.200 10.239 1.00 0.00 P ATOM 125 OP1 DC A 5 9.399 6.606 10.146 1.00 0.00 O ATOM 126 OP2 DC A 5 6.973 6.472 10.948 1.00 0.00 O ATOM 127 O5' DC A 5 8.191 8.660 10.923 1.00 0.00 O ATOM 128 C5' DC A 5 7.434 9.791 10.513 1.00 0.00 C ATOM 129 C4' DC A 5 5.924 9.722 10.795 1.00 0.00 C ATOM 130 O4' DC A 5 5.234 8.770 10.013 1.00 0.00 O ATOM 131 C3' DC A 5 5.547 9.357 12.227 1.00 0.00 C ATOM 132 O3' DC A 5 5.783 10.415 13.130 1.00 0.00 O ATOM 133 C2' DC A 5 4.057 9.084 12.049 1.00 0.00 C ATOM 134 C1' DC A 5 3.948 8.612 10.586 1.00 0.00 C ATOM 135 N1 DC A 5 3.474 7.203 10.436 1.00 0.00 N ATOM 136 C2 DC A 5 2.556 6.906 9.422 1.00 0.00 C ATOM 137 O2 DC A 5 2.213 7.749 8.596 1.00 0.00 O ATOM 138 N3 DC A 5 2.015 5.653 9.374 1.00 0.00 N ATOM 139 C4 DC A 5 2.392 4.705 10.245 1.00 0.00 C ATOM 140 N4 DC A 5 1.777 3.519 10.201 1.00 0.00 N ATOM 141 C5 DC A 5 3.412 4.953 11.222 1.00 0.00 C ATOM 142 C6 DC A 5 3.917 6.209 11.277 1.00 0.00 C ATOM 0 H5' DC A 5 7.579 9.933 9.442 1.00 0.00 H new ATOM 0 H5'' DC A 5 7.837 10.674 11.009 1.00 0.00 H new ATOM 0 H4' DC A 5 5.634 10.745 10.557 1.00 0.00 H new ATOM 0 H3' DC A 5 6.120 8.532 12.650 1.00 0.00 H new ATOM 0 H2' DC A 5 3.703 8.322 12.744 1.00 0.00 H new ATOM 0 H2'' DC A 5 3.461 9.979 12.227 1.00 0.00 H new ATOM 0 HO3' DC A 5 5.526 10.137 14.034 1.00 0.00 H new ATOM 0 H1' DC A 5 3.193 9.212 10.078 1.00 0.00 H new ATOM 0 H41 DC A 5 2.045 2.781 10.852 1.00 0.00 H new ATOM 0 H42 DC A 5 1.040 3.352 9.516 1.00 0.00 H new ATOM 0 H5 DC A 5 3.762 4.174 11.884 1.00 0.00 H new ATOM 0 H6 DC A 5 4.687 6.435 12.000 1.00 0.00 H new TER 155 DC A 5 ATOM 156 N GLY B 14 17.295 9.457 -13.382 1.00 0.00 N ATOM 157 CA GLY B 14 16.317 8.934 -12.413 1.00 0.00 C ATOM 158 C GLY B 14 16.943 8.689 -11.042 1.00 0.00 C ATOM 159 O GLY B 14 18.133 8.936 -10.852 1.00 0.00 O ATOM 0 HA2 GLY B 14 15.492 9.640 -12.314 1.00 0.00 H new ATOM 0 HA3 GLY B 14 15.896 8.002 -12.791 1.00 0.00 H new ATOM 165 N GLU B 15 16.137 8.202 -10.092 1.00 0.00 N ATOM 166 CA GLU B 15 16.580 7.908 -8.738 1.00 0.00 C ATOM 167 C GLU B 15 17.539 6.715 -8.747 1.00 0.00 C ATOM 168 O GLU B 15 17.217 5.667 -9.307 1.00 0.00 O ATOM 169 CB GLU B 15 15.370 7.597 -7.849 1.00 0.00 C ATOM 170 CG GLU B 15 14.422 8.789 -7.687 1.00 0.00 C ATOM 171 CD GLU B 15 13.207 8.398 -6.849 1.00 0.00 C ATOM 172 OE1 GLU B 15 13.402 8.141 -5.640 1.00 0.00 O ATOM 173 OE2 GLU B 15 12.106 8.334 -7.437 1.00 0.00 O ATOM 0 H GLU B 15 15.150 8.001 -10.250 1.00 0.00 H new ATOM 0 HA GLU B 15 17.101 8.778 -8.340 1.00 0.00 H new ATOM 0 HB2 GLU B 15 14.820 6.758 -8.275 1.00 0.00 H new ATOM 0 HB3 GLU B 15 15.720 7.282 -6.866 1.00 0.00 H new ATOM 0 HG2 GLU B 15 14.948 9.617 -7.211 1.00 0.00 H new ATOM 0 HG3 GLU B 15 14.098 9.139 -8.667 1.00 0.00 H new ATOM 180 N ARG B 16 18.705 6.870 -8.109 1.00 0.00 N ATOM 181 CA ARG B 16 19.680 5.803 -7.941 1.00 0.00 C ATOM 182 C ARG B 16 19.249 4.936 -6.755 1.00 0.00 C ATOM 183 O ARG B 16 19.725 5.123 -5.636 1.00 0.00 O ATOM 184 CB ARG B 16 21.076 6.418 -7.758 1.00 0.00 C ATOM 185 CG ARG B 16 22.174 5.347 -7.739 1.00 0.00 C ATOM 186 CD ARG B 16 23.551 6.001 -7.600 1.00 0.00 C ATOM 187 NE ARG B 16 24.616 4.989 -7.578 1.00 0.00 N ATOM 188 CZ ARG B 16 25.927 5.257 -7.460 1.00 0.00 C ATOM 189 NH1 ARG B 16 26.359 6.522 -7.351 1.00 0.00 N ATOM 190 NH2 ARG B 16 26.811 4.250 -7.450 1.00 0.00 N ATOM 0 H ARG B 16 18.995 7.754 -7.692 1.00 0.00 H new ATOM 0 HA ARG B 16 19.729 5.162 -8.821 1.00 0.00 H new ATOM 0 HB2 ARG B 16 21.271 7.124 -8.566 1.00 0.00 H new ATOM 0 HB3 ARG B 16 21.104 6.984 -6.827 1.00 0.00 H new ATOM 0 HG2 ARG B 16 22.006 4.658 -6.911 1.00 0.00 H new ATOM 0 HG3 ARG B 16 22.134 4.759 -8.656 1.00 0.00 H new ATOM 0 HD2 ARG B 16 23.716 6.689 -8.429 1.00 0.00 H new ATOM 0 HD3 ARG B 16 23.586 6.591 -6.684 1.00 0.00 H new ATOM 0 HE ARG B 16 24.339 4.011 -7.658 1.00 0.00 H new ATOM 0 HH11 ARG B 16 25.690 7.292 -7.357 1.00 0.00 H new ATOM 0 HH12 ARG B 16 27.357 6.714 -7.262 1.00 0.00 H new ATOM 0 HH21 ARG B 16 26.487 3.286 -7.532 1.00 0.00 H new ATOM 0 HH22 ARG B 16 27.808 4.447 -7.361 1.00 0.00 H new ATOM 204 N ARG B 17 18.323 4.002 -7.003 1.00 0.00 N ATOM 205 CA ARG B 17 17.732 3.148 -5.981 1.00 0.00 C ATOM 206 C ARG B 17 17.195 1.865 -6.612 1.00 0.00 C ATOM 207 O ARG B 17 16.828 1.856 -7.786 1.00 0.00 O ATOM 208 CB ARG B 17 16.603 3.900 -5.253 1.00 0.00 C ATOM 209 CG ARG B 17 15.450 4.269 -6.200 1.00 0.00 C ATOM 210 CD ARG B 17 14.385 5.127 -5.512 1.00 0.00 C ATOM 211 NE ARG B 17 13.605 4.362 -4.532 1.00 0.00 N ATOM 212 CZ ARG B 17 12.598 4.872 -3.804 1.00 0.00 C ATOM 213 NH1 ARG B 17 12.250 6.163 -3.917 1.00 0.00 N ATOM 214 NH2 ARG B 17 11.934 4.075 -2.958 1.00 0.00 N ATOM 0 H ARG B 17 17.961 3.820 -7.939 1.00 0.00 H new ATOM 0 HA ARG B 17 18.501 2.883 -5.255 1.00 0.00 H new ATOM 0 HB2 ARG B 17 16.221 3.281 -4.441 1.00 0.00 H new ATOM 0 HB3 ARG B 17 17.005 4.807 -4.801 1.00 0.00 H new ATOM 0 HG2 ARG B 17 15.848 4.808 -7.060 1.00 0.00 H new ATOM 0 HG3 ARG B 17 14.989 3.357 -6.580 1.00 0.00 H new ATOM 0 HD2 ARG B 17 14.865 5.969 -5.014 1.00 0.00 H new ATOM 0 HD3 ARG B 17 13.714 5.542 -6.264 1.00 0.00 H new ATOM 0 HE ARG B 17 13.843 3.380 -4.395 1.00 0.00 H new ATOM 0 HH11 ARG B 17 12.753 6.772 -4.563 1.00 0.00 H new ATOM 0 HH12 ARG B 17 11.483 6.535 -3.357 1.00 0.00 H new ATOM 0 HH21 ARG B 17 12.195 3.093 -2.872 1.00 0.00 H new ATOM 0 HH22 ARG B 17 11.167 4.450 -2.399 1.00 0.00 H new ATOM 228 N ARG B 18 17.116 0.796 -5.811 1.00 0.00 N ATOM 229 CA ARG B 18 16.428 -0.431 -6.181 1.00 0.00 C ATOM 230 C ARG B 18 14.973 -0.269 -5.737 1.00 0.00 C ATOM 231 O ARG B 18 14.578 -0.775 -4.687 1.00 0.00 O ATOM 232 CB ARG B 18 17.118 -1.637 -5.527 1.00 0.00 C ATOM 233 CG ARG B 18 16.518 -2.952 -6.049 1.00 0.00 C ATOM 234 CD ARG B 18 17.075 -4.176 -5.309 1.00 0.00 C ATOM 235 NE ARG B 18 16.794 -4.134 -3.866 1.00 0.00 N ATOM 236 CZ ARG B 18 15.586 -4.288 -3.296 1.00 0.00 C ATOM 237 NH1 ARG B 18 14.498 -4.554 -4.030 1.00 0.00 N ATOM 238 NH2 ARG B 18 15.463 -4.174 -1.967 1.00 0.00 N ATOM 0 H ARG B 18 17.534 0.765 -4.881 1.00 0.00 H new ATOM 0 HA ARG B 18 16.460 -0.613 -7.255 1.00 0.00 H new ATOM 0 HB2 ARG B 18 18.187 -1.610 -5.738 1.00 0.00 H new ATOM 0 HB3 ARG B 18 17.005 -1.584 -4.444 1.00 0.00 H new ATOM 0 HG2 ARG B 18 15.434 -2.924 -5.938 1.00 0.00 H new ATOM 0 HG3 ARG B 18 16.727 -3.047 -7.115 1.00 0.00 H new ATOM 0 HD2 ARG B 18 16.643 -5.082 -5.734 1.00 0.00 H new ATOM 0 HD3 ARG B 18 18.152 -4.233 -5.465 1.00 0.00 H new ATOM 0 HE ARG B 18 17.585 -3.974 -3.243 1.00 0.00 H new ATOM 0 HH11 ARG B 18 14.576 -4.644 -5.043 1.00 0.00 H new ATOM 0 HH12 ARG B 18 13.592 -4.667 -3.576 1.00 0.00 H new ATOM 0 HH21 ARG B 18 16.283 -3.972 -1.394 1.00 0.00 H new ATOM 0 HH22 ARG B 18 14.550 -4.290 -1.528 1.00 0.00 H new ATOM 252 N SER B 19 14.191 0.477 -6.526 1.00 0.00 N ATOM 253 CA SER B 19 12.809 0.799 -6.222 1.00 0.00 C ATOM 254 C SER B 19 11.970 -0.474 -6.087 1.00 0.00 C ATOM 255 O SER B 19 12.092 -1.398 -6.890 1.00 0.00 O ATOM 256 CB SER B 19 12.255 1.730 -7.305 1.00 0.00 C ATOM 257 OG SER B 19 12.482 1.192 -8.591 1.00 0.00 O ATOM 0 H SER B 19 14.515 0.876 -7.407 1.00 0.00 H new ATOM 0 HA SER B 19 12.760 1.315 -5.263 1.00 0.00 H new ATOM 0 HB2 SER B 19 11.186 1.879 -7.151 1.00 0.00 H new ATOM 0 HB3 SER B 19 12.728 2.709 -7.226 1.00 0.00 H new ATOM 0 HG SER B 19 12.120 1.800 -9.269 1.00 0.00 H new ATOM 263 N GLN B 20 11.136 -0.517 -5.044 1.00 0.00 N ATOM 264 CA GLN B 20 10.283 -1.646 -4.706 1.00 0.00 C ATOM 265 C GLN B 20 9.045 -1.101 -3.983 1.00 0.00 C ATOM 266 O GLN B 20 8.693 0.066 -4.162 1.00 0.00 O ATOM 267 CB GLN B 20 11.095 -2.658 -3.875 1.00 0.00 C ATOM 268 CG GLN B 20 11.644 -2.010 -2.597 1.00 0.00 C ATOM 269 CD GLN B 20 12.339 -2.979 -1.650 1.00 0.00 C ATOM 270 OE1 GLN B 20 12.522 -4.156 -1.954 1.00 0.00 O ATOM 271 NE2 GLN B 20 12.739 -2.466 -0.486 1.00 0.00 N ATOM 0 H GLN B 20 11.037 0.262 -4.394 1.00 0.00 H new ATOM 0 HA GLN B 20 9.936 -2.184 -5.588 1.00 0.00 H new ATOM 0 HB2 GLN B 20 10.464 -3.508 -3.613 1.00 0.00 H new ATOM 0 HB3 GLN B 20 11.920 -3.046 -4.473 1.00 0.00 H new ATOM 0 HG2 GLN B 20 12.347 -1.225 -2.875 1.00 0.00 H new ATOM 0 HG3 GLN B 20 10.823 -1.528 -2.066 1.00 0.00 H new ATOM 0 HE21 GLN B 20 12.566 -1.483 -0.276 1.00 0.00 H new ATOM 0 HE22 GLN B 20 13.218 -3.057 0.194 1.00 0.00 H new ATOM 280 N LEU B 21 8.403 -1.918 -3.139 1.00 0.00 N ATOM 281 CA LEU B 21 7.297 -1.491 -2.291 1.00 0.00 C ATOM 282 C LEU B 21 7.813 -0.781 -1.031 1.00 0.00 C ATOM 283 O LEU B 21 7.495 -1.152 0.099 1.00 0.00 O ATOM 284 CB LEU B 21 6.320 -2.652 -2.032 1.00 0.00 C ATOM 285 CG LEU B 21 6.901 -4.054 -1.764 1.00 0.00 C ATOM 286 CD1 LEU B 21 7.583 -4.139 -0.402 1.00 0.00 C ATOM 287 CD2 LEU B 21 5.773 -5.091 -1.808 1.00 0.00 C ATOM 0 H LEU B 21 8.644 -2.903 -3.029 1.00 0.00 H new ATOM 0 HA LEU B 21 6.706 -0.739 -2.814 1.00 0.00 H new ATOM 0 HB2 LEU B 21 5.701 -2.380 -1.177 1.00 0.00 H new ATOM 0 HB3 LEU B 21 5.657 -2.727 -2.894 1.00 0.00 H new ATOM 0 HG LEU B 21 7.645 -4.252 -2.535 1.00 0.00 H new ATOM 0 HD11 LEU B 21 7.978 -5.144 -0.255 1.00 0.00 H new ATOM 0 HD12 LEU B 21 8.400 -3.418 -0.358 1.00 0.00 H new ATOM 0 HD13 LEU B 21 6.859 -3.915 0.382 1.00 0.00 H new ATOM 0 HD21 LEU B 21 6.183 -6.083 -1.619 1.00 0.00 H new ATOM 0 HD22 LEU B 21 5.031 -4.854 -1.046 1.00 0.00 H new ATOM 0 HD23 LEU B 21 5.302 -5.075 -2.791 1.00 0.00 H new ATOM 299 N ASP B 22 8.598 0.280 -1.249 1.00 0.00 N ATOM 300 CA ASP B 22 9.183 1.113 -0.209 1.00 0.00 C ATOM 301 C ASP B 22 8.108 1.994 0.436 1.00 0.00 C ATOM 302 O ASP B 22 6.917 1.846 0.165 1.00 0.00 O ATOM 303 CB ASP B 22 10.302 1.967 -0.829 1.00 0.00 C ATOM 304 CG ASP B 22 11.420 1.122 -1.431 1.00 0.00 C ATOM 305 OD1 ASP B 22 12.036 0.356 -0.658 1.00 0.00 O ATOM 306 OD2 ASP B 22 11.647 1.270 -2.654 1.00 0.00 O ATOM 0 H ASP B 22 8.848 0.587 -2.189 1.00 0.00 H new ATOM 0 HA ASP B 22 9.606 0.485 0.575 1.00 0.00 H new ATOM 0 HB2 ASP B 22 9.879 2.607 -1.603 1.00 0.00 H new ATOM 0 HB3 ASP B 22 10.719 2.623 -0.065 1.00 0.00 H new ATOM 311 N ARG B 23 8.538 2.919 1.301 1.00 0.00 N ATOM 312 CA ARG B 23 7.666 3.876 1.972 1.00 0.00 C ATOM 313 C ARG B 23 6.882 4.708 0.951 1.00 0.00 C ATOM 314 O ARG B 23 5.745 5.092 1.189 1.00 0.00 O ATOM 315 CB ARG B 23 8.495 4.785 2.894 1.00 0.00 C ATOM 316 CG ARG B 23 9.473 4.044 3.819 1.00 0.00 C ATOM 317 CD ARG B 23 8.787 2.887 4.546 1.00 0.00 C ATOM 318 NE ARG B 23 9.633 2.308 5.593 1.00 0.00 N ATOM 319 CZ ARG B 23 9.176 1.452 6.522 1.00 0.00 C ATOM 320 NH1 ARG B 23 7.955 0.908 6.415 1.00 0.00 N ATOM 321 NH2 ARG B 23 9.928 1.165 7.592 1.00 0.00 N ATOM 0 H ARG B 23 9.520 3.021 1.556 1.00 0.00 H new ATOM 0 HA ARG B 23 6.946 3.326 2.578 1.00 0.00 H new ATOM 0 HB2 ARG B 23 9.059 5.486 2.279 1.00 0.00 H new ATOM 0 HB3 ARG B 23 7.814 5.376 3.507 1.00 0.00 H new ATOM 0 HG2 ARG B 23 10.311 3.663 3.235 1.00 0.00 H new ATOM 0 HG3 ARG B 23 9.885 4.741 4.549 1.00 0.00 H new ATOM 0 HD2 ARG B 23 7.856 3.240 4.989 1.00 0.00 H new ATOM 0 HD3 ARG B 23 8.524 2.113 3.825 1.00 0.00 H new ATOM 0 HE ARG B 23 10.619 2.568 5.618 1.00 0.00 H new ATOM 0 HH11 ARG B 23 7.360 1.143 5.620 1.00 0.00 H new ATOM 0 HH12 ARG B 23 7.621 0.260 7.128 1.00 0.00 H new ATOM 0 HH21 ARG B 23 10.846 1.596 7.701 1.00 0.00 H new ATOM 0 HH22 ARG B 23 9.583 0.515 8.299 1.00 0.00 H new ATOM 335 N ASP B 24 7.498 4.952 -0.202 1.00 0.00 N ATOM 336 CA ASP B 24 6.969 5.654 -1.355 1.00 0.00 C ATOM 337 C ASP B 24 5.598 5.142 -1.819 1.00 0.00 C ATOM 338 O ASP B 24 4.775 5.953 -2.242 1.00 0.00 O ATOM 339 CB ASP B 24 7.979 5.509 -2.501 1.00 0.00 C ATOM 340 CG ASP B 24 9.376 6.008 -2.135 1.00 0.00 C ATOM 341 OD1 ASP B 24 10.026 5.331 -1.308 1.00 0.00 O ATOM 342 OD2 ASP B 24 9.799 7.029 -2.719 1.00 0.00 O ATOM 0 H ASP B 24 8.455 4.637 -0.361 1.00 0.00 H new ATOM 0 HA ASP B 24 6.821 6.694 -1.066 1.00 0.00 H new ATOM 0 HB2 ASP B 24 8.039 4.461 -2.794 1.00 0.00 H new ATOM 0 HB3 ASP B 24 7.618 6.062 -3.368 1.00 0.00 H new ATOM 347 N GLN B 25 5.358 3.819 -1.788 1.00 0.00 N ATOM 348 CA GLN B 25 4.181 3.223 -2.426 1.00 0.00 C ATOM 349 C GLN B 25 3.579 2.039 -1.658 1.00 0.00 C ATOM 350 O GLN B 25 4.083 1.632 -0.612 1.00 0.00 O ATOM 351 CB GLN B 25 4.550 2.830 -3.866 1.00 0.00 C ATOM 352 CG GLN B 25 5.562 1.677 -3.919 1.00 0.00 C ATOM 353 CD GLN B 25 5.738 1.150 -5.340 1.00 0.00 C ATOM 354 OE1 GLN B 25 6.567 1.653 -6.094 1.00 0.00 O ATOM 355 NE2 GLN B 25 4.960 0.128 -5.712 1.00 0.00 N ATOM 0 H GLN B 25 5.968 3.145 -1.326 1.00 0.00 H new ATOM 0 HA GLN B 25 3.392 3.975 -2.425 1.00 0.00 H new ATOM 0 HB2 GLN B 25 3.647 2.541 -4.403 1.00 0.00 H new ATOM 0 HB3 GLN B 25 4.964 3.697 -4.381 1.00 0.00 H new ATOM 0 HG2 GLN B 25 6.523 2.018 -3.535 1.00 0.00 H new ATOM 0 HG3 GLN B 25 5.228 0.868 -3.269 1.00 0.00 H new ATOM 0 HE21 GLN B 25 4.283 -0.263 -5.057 1.00 0.00 H new ATOM 0 HE22 GLN B 25 5.044 -0.261 -6.651 1.00 0.00 H new ATOM 364 N CYS B 26 2.488 1.489 -2.214 1.00 0.00 N ATOM 365 CA CYS B 26 1.736 0.364 -1.672 1.00 0.00 C ATOM 366 C CYS B 26 2.573 -0.912 -1.631 1.00 0.00 C ATOM 367 O CYS B 26 3.579 -1.034 -2.329 1.00 0.00 O ATOM 368 CB CYS B 26 0.442 0.167 -2.480 1.00 0.00 C ATOM 369 SG CYS B 26 -0.704 -1.087 -1.828 1.00 0.00 S ATOM 0 H CYS B 26 2.096 1.836 -3.089 1.00 0.00 H new ATOM 0 HA CYS B 26 1.471 0.592 -0.639 1.00 0.00 H new ATOM 0 HB2 CYS B 26 -0.082 1.121 -2.532 1.00 0.00 H new ATOM 0 HB3 CYS B 26 0.709 -0.106 -3.501 1.00 0.00 H new ATOM 374 N ALA B 27 2.139 -1.852 -0.788 1.00 0.00 N ATOM 375 CA ALA B 27 2.773 -3.138 -0.564 1.00 0.00 C ATOM 376 C ALA B 27 1.882 -4.299 -1.007 1.00 0.00 C ATOM 377 O ALA B 27 2.377 -5.322 -1.474 1.00 0.00 O ATOM 378 CB ALA B 27 3.118 -3.247 0.919 1.00 0.00 C ATOM 0 H ALA B 27 1.300 -1.725 -0.222 1.00 0.00 H new ATOM 0 HA ALA B 27 3.679 -3.201 -1.166 1.00 0.00 H new ATOM 0 HB1 ALA B 27 3.596 -4.207 1.112 1.00 0.00 H new ATOM 0 HB2 ALA B 27 3.798 -2.441 1.195 1.00 0.00 H new ATOM 0 HB3 ALA B 27 2.206 -3.171 1.511 1.00 0.00 H new ATOM 384 N TYR B 28 0.567 -4.142 -0.849 1.00 0.00 N ATOM 385 CA TYR B 28 -0.434 -5.147 -1.164 1.00 0.00 C ATOM 386 C TYR B 28 -0.523 -5.378 -2.668 1.00 0.00 C ATOM 387 O TYR B 28 -0.492 -6.515 -3.137 1.00 0.00 O ATOM 388 CB TYR B 28 -1.778 -4.640 -0.642 1.00 0.00 C ATOM 389 CG TYR B 28 -2.896 -5.664 -0.680 1.00 0.00 C ATOM 390 CD1 TYR B 28 -2.970 -6.671 0.299 1.00 0.00 C ATOM 391 CD2 TYR B 28 -3.871 -5.607 -1.693 1.00 0.00 C ATOM 392 CE1 TYR B 28 -4.057 -7.562 0.313 1.00 0.00 C ATOM 393 CE2 TYR B 28 -4.950 -6.507 -1.689 1.00 0.00 C ATOM 394 CZ TYR B 28 -5.056 -7.470 -0.673 1.00 0.00 C ATOM 395 OH TYR B 28 -6.127 -8.314 -0.646 1.00 0.00 O ATOM 0 H TYR B 28 0.162 -3.280 -0.485 1.00 0.00 H new ATOM 0 HA TYR B 28 -0.163 -6.095 -0.698 1.00 0.00 H new ATOM 0 HB2 TYR B 28 -1.649 -4.300 0.386 1.00 0.00 H new ATOM 0 HB3 TYR B 28 -2.077 -3.772 -1.230 1.00 0.00 H new ATOM 0 HD1 TYR B 28 -2.190 -6.760 1.041 1.00 0.00 H new ATOM 0 HD2 TYR B 28 -3.790 -4.868 -2.477 1.00 0.00 H new ATOM 0 HE1 TYR B 28 -4.125 -8.318 1.081 1.00 0.00 H new ATOM 0 HE2 TYR B 28 -5.697 -6.458 -2.467 1.00 0.00 H new ATOM 0 HH TYR B 28 -6.721 -8.113 -1.399 1.00 0.00 H new ATOM 405 N CYS B 29 -0.644 -4.267 -3.398 1.00 0.00 N ATOM 406 CA CYS B 29 -0.908 -4.197 -4.831 1.00 0.00 C ATOM 407 C CYS B 29 0.168 -3.386 -5.557 1.00 0.00 C ATOM 408 O CYS B 29 0.311 -3.515 -6.772 1.00 0.00 O ATOM 409 CB CYS B 29 -2.307 -3.623 -5.082 1.00 0.00 C ATOM 410 SG CYS B 29 -2.468 -1.818 -5.091 1.00 0.00 S ATOM 0 H CYS B 29 -0.555 -3.342 -2.978 1.00 0.00 H new ATOM 0 HA CYS B 29 -0.874 -5.208 -5.237 1.00 0.00 H new ATOM 0 HB2 CYS B 29 -2.660 -3.999 -6.042 1.00 0.00 H new ATOM 0 HB3 CYS B 29 -2.977 -4.019 -4.319 1.00 0.00 H new ATOM 415 N LYS B 30 0.953 -2.597 -4.806 1.00 0.00 N ATOM 416 CA LYS B 30 2.107 -1.866 -5.316 1.00 0.00 C ATOM 417 C LYS B 30 1.708 -0.895 -6.442 1.00 0.00 C ATOM 418 O LYS B 30 2.431 -0.753 -7.426 1.00 0.00 O ATOM 419 CB LYS B 30 3.244 -2.823 -5.741 1.00 0.00 C ATOM 420 CG LYS B 30 3.583 -3.997 -4.802 1.00 0.00 C ATOM 421 CD LYS B 30 2.587 -5.165 -4.847 1.00 0.00 C ATOM 422 CE LYS B 30 3.162 -6.494 -4.345 1.00 0.00 C ATOM 423 NZ LYS B 30 2.095 -7.492 -4.147 1.00 0.00 N ATOM 0 H LYS B 30 0.794 -2.452 -3.809 1.00 0.00 H new ATOM 0 HA LYS B 30 2.498 -1.258 -4.500 1.00 0.00 H new ATOM 0 HB2 LYS B 30 2.986 -3.237 -6.716 1.00 0.00 H new ATOM 0 HB3 LYS B 30 4.148 -2.230 -5.876 1.00 0.00 H new ATOM 0 HG2 LYS B 30 4.574 -4.373 -5.056 1.00 0.00 H new ATOM 0 HG3 LYS B 30 3.637 -3.623 -3.780 1.00 0.00 H new ATOM 0 HD2 LYS B 30 1.714 -4.908 -4.246 1.00 0.00 H new ATOM 0 HD3 LYS B 30 2.241 -5.295 -5.872 1.00 0.00 H new ATOM 0 HE2 LYS B 30 3.890 -6.873 -5.062 1.00 0.00 H new ATOM 0 HE3 LYS B 30 3.693 -6.333 -3.407 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 2.408 -8.203 -3.456 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 1.239 -7.019 -3.794 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 1.884 -7.959 -5.052 1.00 0.00 H new ATOM 437 N GLU B 31 0.553 -0.234 -6.290 1.00 0.00 N ATOM 438 CA GLU B 31 -0.049 0.657 -7.275 1.00 0.00 C ATOM 439 C GLU B 31 0.189 2.108 -6.853 1.00 0.00 C ATOM 440 O GLU B 31 0.410 2.384 -5.673 1.00 0.00 O ATOM 441 CB GLU B 31 -1.545 0.335 -7.346 1.00 0.00 C ATOM 442 CG GLU B 31 -2.281 0.907 -8.559 1.00 0.00 C ATOM 443 CD GLU B 31 -3.781 0.669 -8.415 1.00 0.00 C ATOM 444 OE1 GLU B 31 -4.431 1.533 -7.785 1.00 0.00 O ATOM 445 OE2 GLU B 31 -4.251 -0.380 -8.907 1.00 0.00 O ATOM 0 H GLU B 31 -0.006 -0.313 -5.440 1.00 0.00 H new ATOM 0 HA GLU B 31 0.395 0.518 -8.261 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -1.667 -0.748 -7.346 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -2.024 0.710 -6.441 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -2.080 1.975 -8.647 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -1.915 0.437 -9.472 1.00 0.00 H new ATOM 452 N LYS B 32 0.090 3.023 -7.826 1.00 0.00 N ATOM 453 CA LYS B 32 0.097 4.462 -7.697 1.00 0.00 C ATOM 454 C LYS B 32 0.984 4.995 -6.564 1.00 0.00 C ATOM 455 O LYS B 32 2.205 4.874 -6.644 1.00 0.00 O ATOM 456 CB LYS B 32 -1.361 4.942 -7.712 1.00 0.00 C ATOM 457 CG LYS B 32 -2.325 4.281 -6.705 1.00 0.00 C ATOM 458 CD LYS B 32 -3.775 4.703 -6.975 1.00 0.00 C ATOM 459 CE LYS B 32 -4.085 6.151 -6.572 1.00 0.00 C ATOM 460 NZ LYS B 32 -3.952 6.373 -5.120 1.00 0.00 N ATOM 0 H LYS B 32 -0.004 2.738 -8.801 1.00 0.00 H new ATOM 0 HA LYS B 32 0.601 4.912 -8.553 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -1.366 6.017 -7.531 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -1.759 4.786 -8.715 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -2.239 3.196 -6.772 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -2.044 4.561 -5.690 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -3.988 4.578 -8.037 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -4.445 4.034 -6.434 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -3.412 6.825 -7.103 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -5.099 6.403 -6.884 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -4.237 7.346 -4.890 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -4.563 5.704 -4.609 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -2.963 6.226 -4.835 1.00 0.00 H new ATOM 474 N GLY B 33 0.385 5.602 -5.535 1.00 0.00 N ATOM 475 CA GLY B 33 1.100 6.231 -4.437 1.00 0.00 C ATOM 476 C GLY B 33 0.310 6.197 -3.130 1.00 0.00 C ATOM 477 O GLY B 33 0.619 6.969 -2.224 1.00 0.00 O ATOM 0 H GLY B 33 -0.629 5.667 -5.447 1.00 0.00 H new ATOM 0 HA2 GLY B 33 2.056 5.727 -4.294 1.00 0.00 H new ATOM 0 HA3 GLY B 33 1.322 7.266 -4.697 1.00 0.00 H new ATOM 481 N HIS B 34 -0.693 5.311 -3.014 1.00 0.00 N ATOM 482 CA HIS B 34 -1.338 5.044 -1.733 1.00 0.00 C ATOM 483 C HIS B 34 -0.473 4.014 -0.992 1.00 0.00 C ATOM 484 O HIS B 34 0.639 3.719 -1.429 1.00 0.00 O ATOM 485 CB HIS B 34 -2.808 4.625 -1.922 1.00 0.00 C ATOM 486 CG HIS B 34 -3.015 3.302 -2.615 1.00 0.00 C ATOM 487 ND1 HIS B 34 -3.660 3.129 -3.818 1.00 0.00 N ATOM 488 CD2 HIS B 34 -2.672 2.034 -2.251 1.00 0.00 C ATOM 489 CE1 HIS B 34 -3.607 1.813 -4.093 1.00 0.00 C ATOM 490 NE2 HIS B 34 -3.018 1.046 -3.162 1.00 0.00 N ATOM 0 H HIS B 34 -1.069 4.772 -3.794 1.00 0.00 H new ATOM 0 HA HIS B 34 -1.398 5.943 -1.120 1.00 0.00 H new ATOM 0 HB2 HIS B 34 -3.286 4.583 -0.943 1.00 0.00 H new ATOM 0 HB3 HIS B 34 -3.319 5.400 -2.493 1.00 0.00 H new ATOM 0 HD1 HIS B 34 -4.093 3.855 -4.389 1.00 0.00 H new ATOM 0 HD2 HIS B 34 -2.168 1.814 -1.322 1.00 0.00 H new ATOM 0 HE1 HIS B 34 -4.013 1.400 -5.005 1.00 0.00 H new ATOM 498 N TRP B 35 -0.964 3.474 0.127 1.00 0.00 N ATOM 499 CA TRP B 35 -0.196 2.578 0.983 1.00 0.00 C ATOM 500 C TRP B 35 -0.944 1.281 1.284 1.00 0.00 C ATOM 501 O TRP B 35 -2.133 1.190 1.015 1.00 0.00 O ATOM 502 CB TRP B 35 0.191 3.343 2.247 1.00 0.00 C ATOM 503 CG TRP B 35 1.653 3.448 2.509 1.00 0.00 C ATOM 504 CD1 TRP B 35 2.641 3.498 1.589 1.00 0.00 C ATOM 505 CD2 TRP B 35 2.309 3.524 3.797 1.00 0.00 C ATOM 506 NE1 TRP B 35 3.860 3.477 2.220 1.00 0.00 N ATOM 507 CE2 TRP B 35 3.715 3.514 3.587 1.00 0.00 C ATOM 508 CE3 TRP B 35 1.853 3.635 5.124 1.00 0.00 C ATOM 509 CZ2 TRP B 35 4.625 3.554 4.644 1.00 0.00 C ATOM 510 CZ3 TRP B 35 2.757 3.706 6.191 1.00 0.00 C ATOM 511 CH2 TRP B 35 4.139 3.634 5.955 1.00 0.00 C ATOM 0 H TRP B 35 -1.911 3.650 0.463 1.00 0.00 H new ATOM 0 HA TRP B 35 0.709 2.262 0.464 1.00 0.00 H new ATOM 0 HB2 TRP B 35 -0.222 4.350 2.183 1.00 0.00 H new ATOM 0 HB3 TRP B 35 -0.280 2.859 3.102 1.00 0.00 H new ATOM 0 HD1 TRP B 35 2.494 3.547 0.520 1.00 0.00 H new ATOM 0 HE1 TRP B 35 4.758 3.439 1.737 1.00 0.00 H new ATOM 0 HE3 TRP B 35 0.792 3.666 5.322 1.00 0.00 H new ATOM 0 HZ2 TRP B 35 5.688 3.524 4.454 1.00 0.00 H new ATOM 0 HZ3 TRP B 35 2.389 3.817 7.200 1.00 0.00 H new ATOM 0 HH2 TRP B 35 4.829 3.640 6.786 1.00 0.00 H new ATOM 522 N ALA B 36 -0.261 0.278 1.855 1.00 0.00 N ATOM 523 CA ALA B 36 -0.865 -0.995 2.240 1.00 0.00 C ATOM 524 C ALA B 36 -1.826 -0.745 3.403 1.00 0.00 C ATOM 525 O ALA B 36 -2.822 -1.442 3.584 1.00 0.00 O ATOM 526 CB ALA B 36 0.244 -1.986 2.606 1.00 0.00 C ATOM 0 H ALA B 36 0.736 0.334 2.062 1.00 0.00 H new ATOM 0 HA ALA B 36 -1.434 -1.429 1.418 1.00 0.00 H new ATOM 0 HB1 ALA B 36 -0.200 -2.939 2.895 1.00 0.00 H new ATOM 0 HB2 ALA B 36 0.897 -2.136 1.746 1.00 0.00 H new ATOM 0 HB3 ALA B 36 0.826 -1.590 3.438 1.00 0.00 H new ATOM 532 N LYS B 37 -1.503 0.308 4.155 1.00 0.00 N ATOM 533 CA LYS B 37 -2.277 0.955 5.184 1.00 0.00 C ATOM 534 C LYS B 37 -3.651 1.436 4.685 1.00 0.00 C ATOM 535 O LYS B 37 -4.613 1.440 5.450 1.00 0.00 O ATOM 536 CB LYS B 37 -1.419 2.146 5.618 1.00 0.00 C ATOM 537 CG LYS B 37 -1.861 2.718 6.949 1.00 0.00 C ATOM 538 CD LYS B 37 -1.052 3.979 7.276 1.00 0.00 C ATOM 539 CE LYS B 37 -1.493 4.611 8.592 1.00 0.00 C ATOM 540 NZ LYS B 37 -0.793 5.886 8.838 1.00 0.00 N ATOM 0 H LYS B 37 -0.599 0.765 4.036 1.00 0.00 H new ATOM 0 HA LYS B 37 -2.498 0.264 5.997 1.00 0.00 H new ATOM 0 HB2 LYS B 37 -0.377 1.834 5.687 1.00 0.00 H new ATOM 0 HB3 LYS B 37 -1.469 2.924 4.856 1.00 0.00 H new ATOM 0 HG2 LYS B 37 -2.924 2.957 6.916 1.00 0.00 H new ATOM 0 HG3 LYS B 37 -1.726 1.976 7.736 1.00 0.00 H new ATOM 0 HD2 LYS B 37 0.007 3.727 7.331 1.00 0.00 H new ATOM 0 HD3 LYS B 37 -1.166 4.703 6.469 1.00 0.00 H new ATOM 0 HE2 LYS B 37 -2.569 4.783 8.572 1.00 0.00 H new ATOM 0 HE3 LYS B 37 -1.295 3.921 9.413 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 -1.378 6.491 9.449 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 0.117 5.698 9.306 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 -0.623 6.369 7.933 1.00 0.00 H new ATOM 554 N ASP B 38 -3.725 1.874 3.421 1.00 0.00 N ATOM 555 CA ASP B 38 -4.862 2.578 2.826 1.00 0.00 C ATOM 556 C ASP B 38 -5.538 1.814 1.680 1.00 0.00 C ATOM 557 O ASP B 38 -6.689 2.106 1.353 1.00 0.00 O ATOM 558 CB ASP B 38 -4.335 3.905 2.254 1.00 0.00 C ATOM 559 CG ASP B 38 -5.463 4.796 1.744 1.00 0.00 C ATOM 560 OD1 ASP B 38 -6.259 5.247 2.595 1.00 0.00 O ATOM 561 OD2 ASP B 38 -5.526 4.996 0.512 1.00 0.00 O ATOM 0 H ASP B 38 -2.960 1.740 2.760 1.00 0.00 H new ATOM 0 HA ASP B 38 -5.609 2.706 3.610 1.00 0.00 H new ATOM 0 HB2 ASP B 38 -3.775 4.435 3.025 1.00 0.00 H new ATOM 0 HB3 ASP B 38 -3.640 3.698 1.440 1.00 0.00 H new ATOM 566 N CYS B 39 -4.810 0.876 1.062 1.00 0.00 N ATOM 567 CA CYS B 39 -5.118 0.196 -0.184 1.00 0.00 C ATOM 568 C CYS B 39 -6.596 -0.179 -0.330 1.00 0.00 C ATOM 569 O CYS B 39 -7.106 -0.914 0.510 1.00 0.00 O ATOM 570 CB CYS B 39 -4.215 -1.032 -0.299 1.00 0.00 C ATOM 571 SG CYS B 39 -4.346 -1.929 -1.864 1.00 0.00 S ATOM 0 H CYS B 39 -3.926 0.555 1.456 1.00 0.00 H new ATOM 0 HA CYS B 39 -4.925 0.888 -1.004 1.00 0.00 H new ATOM 0 HB2 CYS B 39 -3.180 -0.718 -0.162 1.00 0.00 H new ATOM 0 HB3 CYS B 39 -4.451 -1.716 0.516 1.00 0.00 H new ATOM 576 N PRO B 40 -7.288 0.313 -1.374 1.00 0.00 N ATOM 577 CA PRO B 40 -8.700 0.054 -1.619 1.00 0.00 C ATOM 578 C PRO B 40 -8.948 -1.341 -2.210 1.00 0.00 C ATOM 579 O PRO B 40 -10.087 -1.803 -2.212 1.00 0.00 O ATOM 580 CB PRO B 40 -9.128 1.147 -2.601 1.00 0.00 C ATOM 581 CG PRO B 40 -7.868 1.359 -3.436 1.00 0.00 C ATOM 582 CD PRO B 40 -6.756 1.190 -2.406 1.00 0.00 C ATOM 0 HA PRO B 40 -9.271 0.072 -0.691 1.00 0.00 H new ATOM 0 HB2 PRO B 40 -9.972 0.832 -3.214 1.00 0.00 H new ATOM 0 HB3 PRO B 40 -9.431 2.059 -2.086 1.00 0.00 H new ATOM 0 HG2 PRO B 40 -7.788 0.630 -4.242 1.00 0.00 H new ATOM 0 HG3 PRO B 40 -7.848 2.347 -3.896 1.00 0.00 H new ATOM 0 HD2 PRO B 40 -5.865 0.758 -2.862 1.00 0.00 H new ATOM 0 HD3 PRO B 40 -6.465 2.153 -1.986 1.00 0.00 H new ATOM 590 N LYS B 41 -7.900 -2.011 -2.709 1.00 0.00 N ATOM 591 CA LYS B 41 -7.971 -3.382 -3.197 1.00 0.00 C ATOM 592 C LYS B 41 -8.194 -4.286 -1.982 1.00 0.00 C ATOM 593 O LYS B 41 -9.086 -5.132 -1.962 1.00 0.00 O ATOM 594 CB LYS B 41 -6.666 -3.767 -3.924 1.00 0.00 C ATOM 595 CG LYS B 41 -6.072 -2.698 -4.856 1.00 0.00 C ATOM 596 CD LYS B 41 -6.828 -2.519 -6.177 1.00 0.00 C ATOM 597 CE LYS B 41 -6.211 -3.341 -7.316 1.00 0.00 C ATOM 598 NZ LYS B 41 -4.896 -2.811 -7.730 1.00 0.00 N ATOM 0 H LYS B 41 -6.968 -1.603 -2.783 1.00 0.00 H new ATOM 0 HA LYS B 41 -8.786 -3.492 -3.912 1.00 0.00 H new ATOM 0 HB2 LYS B 41 -5.918 -4.023 -3.174 1.00 0.00 H new ATOM 0 HB3 LYS B 41 -6.852 -4.668 -4.509 1.00 0.00 H new ATOM 0 HG2 LYS B 41 -6.054 -1.744 -4.329 1.00 0.00 H new ATOM 0 HG3 LYS B 41 -5.037 -2.960 -5.076 1.00 0.00 H new ATOM 0 HD2 LYS B 41 -7.868 -2.814 -6.041 1.00 0.00 H new ATOM 0 HD3 LYS B 41 -6.830 -1.464 -6.452 1.00 0.00 H new ATOM 0 HE2 LYS B 41 -6.100 -4.377 -6.997 1.00 0.00 H new ATOM 0 HE3 LYS B 41 -6.887 -3.341 -8.171 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 -4.506 -3.405 -8.490 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 -5.008 -1.836 -8.075 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 -4.247 -2.818 -6.917 1.00 0.00 H new ATOM 612 N LYS B 42 -7.374 -4.043 -0.957 1.00 0.00 N ATOM 613 CA LYS B 42 -7.456 -4.573 0.383 1.00 0.00 C ATOM 614 C LYS B 42 -8.594 -3.872 1.137 1.00 0.00 C ATOM 615 O LYS B 42 -9.050 -2.806 0.726 1.00 0.00 O ATOM 616 CB LYS B 42 -6.106 -4.234 1.031 1.00 0.00 C ATOM 617 CG LYS B 42 -5.825 -4.834 2.407 1.00 0.00 C ATOM 618 CD LYS B 42 -4.476 -4.299 2.889 1.00 0.00 C ATOM 619 CE LYS B 42 -4.176 -4.765 4.312 1.00 0.00 C ATOM 620 NZ LYS B 42 -2.922 -4.167 4.792 1.00 0.00 N ATOM 0 H LYS B 42 -6.575 -3.418 -1.064 1.00 0.00 H new ATOM 0 HA LYS B 42 -7.655 -5.644 0.398 1.00 0.00 H new ATOM 0 HB2 LYS B 42 -5.315 -4.556 0.354 1.00 0.00 H new ATOM 0 HB3 LYS B 42 -6.033 -3.150 1.113 1.00 0.00 H new ATOM 0 HG2 LYS B 42 -6.614 -4.565 3.109 1.00 0.00 H new ATOM 0 HG3 LYS B 42 -5.806 -5.922 2.351 1.00 0.00 H new ATOM 0 HD2 LYS B 42 -3.686 -4.638 2.218 1.00 0.00 H new ATOM 0 HD3 LYS B 42 -4.480 -3.210 2.853 1.00 0.00 H new ATOM 0 HE2 LYS B 42 -4.996 -4.486 4.974 1.00 0.00 H new ATOM 0 HE3 LYS B 42 -4.101 -5.852 4.338 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 -2.748 -4.466 5.773 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 -2.135 -4.481 4.190 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 -2.995 -3.130 4.754 1.00 0.00 H new ATOM 634 N PRO B 43 -9.032 -4.429 2.272 1.00 0.00 N ATOM 635 CA PRO B 43 -9.924 -3.775 3.225 1.00 0.00 C ATOM 636 C PRO B 43 -9.342 -2.525 3.927 1.00 0.00 C ATOM 637 O PRO B 43 -9.766 -2.209 5.039 1.00 0.00 O ATOM 638 CB PRO B 43 -10.215 -4.865 4.256 1.00 0.00 C ATOM 639 CG PRO B 43 -10.141 -6.159 3.458 1.00 0.00 C ATOM 640 CD PRO B 43 -8.989 -5.863 2.504 1.00 0.00 C ATOM 0 HA PRO B 43 -10.799 -3.387 2.703 1.00 0.00 H new ATOM 0 HB2 PRO B 43 -9.485 -4.853 5.065 1.00 0.00 H new ATOM 0 HB3 PRO B 43 -11.197 -4.732 4.710 1.00 0.00 H new ATOM 0 HG2 PRO B 43 -9.937 -7.021 4.093 1.00 0.00 H new ATOM 0 HG3 PRO B 43 -11.070 -6.367 2.927 1.00 0.00 H new ATOM 0 HD2 PRO B 43 -8.035 -6.161 2.938 1.00 0.00 H new ATOM 0 HD3 PRO B 43 -9.101 -6.415 1.571 1.00 0.00 H new ATOM 648 N ARG B 44 -8.394 -1.809 3.300 1.00 0.00 N ATOM 649 CA ARG B 44 -7.796 -0.565 3.772 1.00 0.00 C ATOM 650 C ARG B 44 -7.077 -0.728 5.114 1.00 0.00 C ATOM 651 O ARG B 44 -7.512 -0.185 6.125 1.00 0.00 O ATOM 652 CB ARG B 44 -8.828 0.573 3.786 1.00 0.00 C ATOM 653 CG ARG B 44 -9.557 0.679 2.439 1.00 0.00 C ATOM 654 CD ARG B 44 -10.327 1.993 2.310 1.00 0.00 C ATOM 655 NE ARG B 44 -9.419 3.138 2.150 1.00 0.00 N ATOM 656 CZ ARG B 44 -9.824 4.400 1.936 1.00 0.00 C ATOM 657 NH1 ARG B 44 -11.131 4.691 1.859 1.00 0.00 N ATOM 658 NH2 ARG B 44 -8.922 5.379 1.797 1.00 0.00 N ATOM 0 H ARG B 44 -8.009 -2.105 2.403 1.00 0.00 H new ATOM 0 HA ARG B 44 -7.019 -0.288 3.059 1.00 0.00 H new ATOM 0 HB2 ARG B 44 -9.553 0.400 4.582 1.00 0.00 H new ATOM 0 HB3 ARG B 44 -8.330 1.517 4.008 1.00 0.00 H new ATOM 0 HG2 ARG B 44 -8.834 0.601 1.627 1.00 0.00 H new ATOM 0 HG3 ARG B 44 -10.247 -0.158 2.333 1.00 0.00 H new ATOM 0 HD2 ARG B 44 -11.000 1.939 1.454 1.00 0.00 H new ATOM 0 HD3 ARG B 44 -10.947 2.140 3.194 1.00 0.00 H new ATOM 0 HE ARG B 44 -8.416 2.962 2.205 1.00 0.00 H new ATOM 0 HH11 ARG B 44 -11.825 3.951 1.963 1.00 0.00 H new ATOM 0 HH12 ARG B 44 -11.431 5.652 1.696 1.00 0.00 H new ATOM 0 HH21 ARG B 44 -7.926 5.167 1.854 1.00 0.00 H new ATOM 0 HH22 ARG B 44 -9.231 6.337 1.634 1.00 0.00 H new ATOM 672 N GLY B 45 -5.948 -1.448 5.109 1.00 0.00 N ATOM 673 CA GLY B 45 -5.085 -1.601 6.274 1.00 0.00 C ATOM 674 C GLY B 45 -5.457 -2.827 7.112 1.00 0.00 C ATOM 675 O GLY B 45 -6.544 -3.381 6.946 1.00 0.00 O ATOM 0 H GLY B 45 -5.610 -1.944 4.284 1.00 0.00 H new ATOM 0 HA2 GLY B 45 -4.049 -1.687 5.948 1.00 0.00 H new ATOM 0 HA3 GLY B 45 -5.151 -0.706 6.893 1.00 0.00 H new ATOM 679 N PRO B 46 -4.554 -3.265 8.008 1.00 0.00 N ATOM 680 CA PRO B 46 -4.734 -4.438 8.853 1.00 0.00 C ATOM 681 C PRO B 46 -5.641 -4.094 10.043 1.00 0.00 C ATOM 682 O PRO B 46 -5.204 -4.067 11.192 1.00 0.00 O ATOM 683 CB PRO B 46 -3.313 -4.824 9.278 1.00 0.00 C ATOM 684 CG PRO B 46 -2.612 -3.469 9.376 1.00 0.00 C ATOM 685 CD PRO B 46 -3.236 -2.683 8.223 1.00 0.00 C ATOM 0 HA PRO B 46 -5.226 -5.269 8.348 1.00 0.00 H new ATOM 0 HB2 PRO B 46 -3.305 -5.354 10.231 1.00 0.00 H new ATOM 0 HB3 PRO B 46 -2.835 -5.476 8.547 1.00 0.00 H new ATOM 0 HG2 PRO B 46 -2.792 -2.989 10.338 1.00 0.00 H new ATOM 0 HG3 PRO B 46 -1.532 -3.563 9.264 1.00 0.00 H new ATOM 0 HD2 PRO B 46 -3.312 -1.624 8.469 1.00 0.00 H new ATOM 0 HD3 PRO B 46 -2.625 -2.758 7.324 1.00 0.00 H new ATOM 693 N ARG B 47 -6.916 -3.817 9.751 1.00 0.00 N ATOM 694 CA ARG B 47 -7.902 -3.355 10.717 1.00 0.00 C ATOM 695 C ARG B 47 -8.490 -4.526 11.507 1.00 0.00 C ATOM 696 O ARG B 47 -8.535 -4.471 12.735 1.00 0.00 O ATOM 697 CB ARG B 47 -8.996 -2.583 9.975 1.00 0.00 C ATOM 698 CG ARG B 47 -8.492 -1.218 9.491 1.00 0.00 C ATOM 699 CD ARG B 47 -9.423 -0.663 8.412 1.00 0.00 C ATOM 700 NE ARG B 47 -10.808 -0.560 8.887 1.00 0.00 N ATOM 701 CZ ARG B 47 -11.913 -0.802 8.162 1.00 0.00 C ATOM 702 NH1 ARG B 47 -11.848 -1.184 6.877 1.00 0.00 N ATOM 703 NH2 ARG B 47 -13.111 -0.657 8.741 1.00 0.00 N ATOM 0 H ARG B 47 -7.295 -3.913 8.809 1.00 0.00 H new ATOM 0 HA ARG B 47 -7.421 -2.695 11.438 1.00 0.00 H new ATOM 0 HB2 ARG B 47 -9.341 -3.168 9.122 1.00 0.00 H new ATOM 0 HB3 ARG B 47 -9.854 -2.443 10.633 1.00 0.00 H new ATOM 0 HG2 ARG B 47 -8.440 -0.523 10.329 1.00 0.00 H new ATOM 0 HG3 ARG B 47 -7.481 -1.315 9.095 1.00 0.00 H new ATOM 0 HD2 ARG B 47 -9.072 0.320 8.100 1.00 0.00 H new ATOM 0 HD3 ARG B 47 -9.387 -1.308 7.534 1.00 0.00 H new ATOM 0 HE ARG B 47 -10.944 -0.278 9.858 1.00 0.00 H new ATOM 0 HH11 ARG B 47 -10.941 -1.298 6.424 1.00 0.00 H new ATOM 0 HH12 ARG B 47 -12.705 -1.360 6.353 1.00 0.00 H new ATOM 0 HH21 ARG B 47 -13.174 -0.367 9.717 1.00 0.00 H new ATOM 0 HH22 ARG B 47 -13.961 -0.836 8.206 1.00 0.00 H new ATOM 717 N GLY B 48 -8.950 -5.577 10.814 1.00 0.00 N ATOM 718 CA GLY B 48 -9.550 -6.738 11.461 1.00 0.00 C ATOM 719 C GLY B 48 -10.995 -6.441 11.902 1.00 0.00 C ATOM 720 O GLY B 48 -11.573 -5.504 11.351 1.00 0.00 O ATOM 0 H GLY B 48 -8.914 -5.641 9.797 1.00 0.00 H new ATOM 0 HA2 GLY B 48 -9.543 -7.585 10.775 1.00 0.00 H new ATOM 0 HA3 GLY B 48 -8.954 -7.024 12.327 1.00 0.00 H new ATOM 724 N PRO B 49 -11.585 -7.201 12.862 1.00 0.00 N ATOM 725 CA PRO B 49 -12.849 -6.937 13.534 1.00 0.00 C ATOM 726 C PRO B 49 -13.865 -6.334 12.590 1.00 0.00 C ATOM 727 O PRO B 49 -14.386 -5.232 12.740 1.00 0.00 O ATOM 728 CB PRO B 49 -12.409 -6.252 14.819 1.00 0.00 C ATOM 729 CG PRO B 49 -11.169 -7.129 15.145 1.00 0.00 C ATOM 730 CD PRO B 49 -10.914 -7.963 13.869 1.00 0.00 C ATOM 0 HA PRO B 49 -13.465 -7.783 13.840 1.00 0.00 H new ATOM 0 HB2 PRO B 49 -12.156 -5.202 14.672 1.00 0.00 H new ATOM 0 HB3 PRO B 49 -13.169 -6.290 15.599 1.00 0.00 H new ATOM 0 HG2 PRO B 49 -10.305 -6.512 15.391 1.00 0.00 H new ATOM 0 HG3 PRO B 49 -11.357 -7.772 16.005 1.00 0.00 H new ATOM 0 HD2 PRO B 49 -9.850 -8.066 13.658 1.00 0.00 H new ATOM 0 HD3 PRO B 49 -11.321 -8.970 13.954 1.00 0.00 H new ATOM 738 N ARG B 50 -14.042 -7.186 11.580 1.00 0.00 N ATOM 739 CA ARG B 50 -14.697 -7.055 10.313 1.00 0.00 C ATOM 740 C ARG B 50 -14.380 -5.702 9.662 1.00 0.00 C ATOM 741 O ARG B 50 -15.031 -4.705 9.971 1.00 0.00 O ATOM 742 CB ARG B 50 -16.198 -7.371 10.419 1.00 0.00 C ATOM 743 CG ARG B 50 -16.812 -7.697 9.048 1.00 0.00 C ATOM 744 CD ARG B 50 -17.370 -6.464 8.324 1.00 0.00 C ATOM 745 NE ARG B 50 -17.739 -6.772 6.935 1.00 0.00 N ATOM 746 CZ ARG B 50 -16.892 -6.769 5.890 1.00 0.00 C ATOM 747 NH1 ARG B 50 -15.582 -6.538 6.062 1.00 0.00 N ATOM 748 NH2 ARG B 50 -17.364 -6.998 4.657 1.00 0.00 N ATOM 0 H ARG B 50 -13.660 -8.128 11.667 1.00 0.00 H new ATOM 0 HA ARG B 50 -14.296 -7.806 9.633 1.00 0.00 H new ATOM 0 HB2 ARG B 50 -16.345 -8.215 11.093 1.00 0.00 H new ATOM 0 HB3 ARG B 50 -16.719 -6.519 10.857 1.00 0.00 H new ATOM 0 HG2 ARG B 50 -16.054 -8.166 8.421 1.00 0.00 H new ATOM 0 HG3 ARG B 50 -17.612 -8.425 9.180 1.00 0.00 H new ATOM 0 HD2 ARG B 50 -18.244 -6.092 8.859 1.00 0.00 H new ATOM 0 HD3 ARG B 50 -16.626 -5.667 8.335 1.00 0.00 H new ATOM 0 HE ARG B 50 -18.714 -7.006 6.749 1.00 0.00 H new ATOM 0 HH11 ARG B 50 -15.214 -6.361 6.997 1.00 0.00 H new ATOM 0 HH12 ARG B 50 -14.954 -6.539 5.258 1.00 0.00 H new ATOM 0 HH21 ARG B 50 -18.359 -7.173 4.516 1.00 0.00 H new ATOM 0 HH22 ARG B 50 -16.728 -6.997 3.859 1.00 0.00 H new ATOM 762 N PRO B 51 -13.383 -5.645 8.762 1.00 0.00 N ATOM 763 CA PRO B 51 -12.878 -4.397 8.213 1.00 0.00 C ATOM 764 C PRO B 51 -13.747 -3.935 7.039 1.00 0.00 C ATOM 765 O PRO B 51 -13.309 -3.942 5.890 1.00 0.00 O ATOM 766 CB PRO B 51 -11.442 -4.729 7.803 1.00 0.00 C ATOM 767 CG PRO B 51 -11.546 -6.180 7.339 1.00 0.00 C ATOM 768 CD PRO B 51 -12.553 -6.761 8.329 1.00 0.00 C ATOM 0 HA PRO B 51 -12.904 -3.566 8.918 1.00 0.00 H new ATOM 0 HB2 PRO B 51 -11.088 -4.075 7.006 1.00 0.00 H new ATOM 0 HB3 PRO B 51 -10.748 -4.620 8.637 1.00 0.00 H new ATOM 0 HG2 PRO B 51 -11.897 -6.255 6.310 1.00 0.00 H new ATOM 0 HG3 PRO B 51 -10.585 -6.693 7.386 1.00 0.00 H new ATOM 0 HD2 PRO B 51 -13.157 -7.537 7.860 1.00 0.00 H new ATOM 0 HD3 PRO B 51 -12.045 -7.221 9.177 1.00 0.00 H new ATOM 776 N GLN B 52 -14.988 -3.523 7.325 1.00 0.00 N ATOM 777 CA GLN B 52 -15.900 -3.011 6.308 1.00 0.00 C ATOM 778 C GLN B 52 -15.362 -1.710 5.702 1.00 0.00 C ATOM 779 O GLN B 52 -14.636 -0.966 6.359 1.00 0.00 O ATOM 780 CB GLN B 52 -17.333 -2.872 6.854 1.00 0.00 C ATOM 781 CG GLN B 52 -17.482 -2.191 8.225 1.00 0.00 C ATOM 782 CD GLN B 52 -16.933 -0.769 8.260 1.00 0.00 C ATOM 783 OE1 GLN B 52 -15.978 -0.490 8.982 1.00 0.00 O ATOM 784 NE2 GLN B 52 -17.527 0.134 7.479 1.00 0.00 N ATOM 0 H GLN B 52 -15.382 -3.537 8.266 1.00 0.00 H new ATOM 0 HA GLN B 52 -15.956 -3.737 5.497 1.00 0.00 H new ATOM 0 HB2 GLN B 52 -17.922 -2.311 6.128 1.00 0.00 H new ATOM 0 HB3 GLN B 52 -17.772 -3.868 6.918 1.00 0.00 H new ATOM 0 HG2 GLN B 52 -18.537 -2.172 8.500 1.00 0.00 H new ATOM 0 HG3 GLN B 52 -16.968 -2.789 8.977 1.00 0.00 H new ATOM 0 HE21 GLN B 52 -18.317 -0.138 6.894 1.00 0.00 H new ATOM 0 HE22 GLN B 52 -17.191 1.097 7.466 1.00 0.00 H new ATOM 793 N THR B 53 -15.695 -1.456 4.434 1.00 0.00 N ATOM 794 CA THR B 53 -15.257 -0.285 3.687 1.00 0.00 C ATOM 795 C THR B 53 -16.130 -0.130 2.438 1.00 0.00 C ATOM 796 O THR B 53 -16.979 -1.020 2.210 1.00 0.00 O ATOM 797 CB THR B 53 -13.759 -0.391 3.338 1.00 0.00 C ATOM 798 OG1 THR B 53 -13.337 0.790 2.686 1.00 0.00 O ATOM 799 CG2 THR B 53 -13.440 -1.599 2.449 1.00 0.00 C ATOM 800 OXT THR B 53 -15.922 0.877 1.725 1.00 0.00 O ATOM 0 H THR B 53 -16.292 -2.078 3.889 1.00 0.00 H new ATOM 0 HA THR B 53 -15.374 0.609 4.300 1.00 0.00 H new ATOM 0 HB THR B 53 -13.223 -0.525 4.277 1.00 0.00 H new ATOM 0 HG1 THR B 53 -14.110 1.232 2.277 1.00 0.00 H new ATOM 0 HG21 THR B 53 -12.371 -1.622 2.236 1.00 0.00 H new ATOM 0 HG22 THR B 53 -13.727 -2.516 2.964 1.00 0.00 H new ATOM 0 HG23 THR B 53 -13.994 -1.519 1.514 1.00 0.00 H new TER 808 THR B 53 HETATM 809 ZN ZN B 55 -2.643 -0.936 -3.020 1.00 0.00 ZN