USER MOD reduce.3.24.130724 H: found=0, std=0, add=827, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 825 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 17 GLN : amide:sc= 0.0147 K(o=0.015,f=-4.3!) USER MOD Set 1.2: A 72 THR OG1 : rot 88:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 34:sc= 1.27 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.0927 X(o=-0.093,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 120:sc= 0.656 USER MOD Single : A 39 SER OG : rot 19:sc= 1.07 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 54:sc= 1.45 USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-2.2!) USER MOD Single : A 58 ASN : amide:sc=-0.00703 K(o=-0.007,f=-1.1) USER MOD Single : A 59 THR OG1 : rot 73:sc= 1.26 USER MOD Single : A 61 SER OG : rot 58:sc= 0.384 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= -0.0606 USER MOD Single : A 77 CYS SG : rot 10:sc= -1.85 USER MOD Single : A 79 CYS SG : rot -92:sc= -0.479 USER MOD Single : A 85 THR OG1 : rot 88:sc= 0.0529 USER MOD Single : A 91 GLN : amide:sc= -0.0144 X(o=-0.014,f=0) USER MOD Single : A 104 GLN : amide:sc= -0.0516 X(o=-0.052,f=0) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.809 10.273 16.097 1.00 0.00 N ATOM 2 CA GLY A 1 18.334 11.652 15.969 1.00 0.00 C ATOM 3 C GLY A 1 18.318 12.067 14.510 1.00 0.00 C ATOM 4 O GLY A 1 17.252 12.118 13.906 1.00 0.00 O ATOM 0 H1 GLY A 1 18.816 10.000 17.100 1.00 0.00 H new ATOM 0 H2 GLY A 1 18.177 9.638 15.569 1.00 0.00 H new ATOM 0 H3 GLY A 1 19.772 10.201 15.712 1.00 0.00 H new ATOM 0 HA2 GLY A 1 17.333 11.740 16.391 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.980 12.321 16.538 1.00 0.00 H new ATOM 8 N MET A 2 19.479 12.373 13.927 1.00 0.00 N ATOM 9 CA MET A 2 19.580 13.011 12.615 1.00 0.00 C ATOM 10 C MET A 2 19.142 12.159 11.410 1.00 0.00 C ATOM 11 O MET A 2 19.238 12.650 10.285 1.00 0.00 O ATOM 12 CB MET A 2 21.001 13.570 12.427 1.00 0.00 C ATOM 13 CG MET A 2 22.108 12.532 12.195 1.00 0.00 C ATOM 14 SD MET A 2 22.480 11.417 13.577 1.00 0.00 S ATOM 15 CE MET A 2 24.200 11.018 13.153 1.00 0.00 C ATOM 0 H MET A 2 20.384 12.182 14.358 1.00 0.00 H new ATOM 0 HA MET A 2 18.846 13.817 12.625 1.00 0.00 H new ATOM 0 HB2 MET A 2 20.991 14.256 11.580 1.00 0.00 H new ATOM 0 HB3 MET A 2 21.259 14.156 13.309 1.00 0.00 H new ATOM 0 HG2 MET A 2 21.831 11.925 11.333 1.00 0.00 H new ATOM 0 HG3 MET A 2 23.022 13.063 11.930 1.00 0.00 H new ATOM 0 HE1 MET A 2 24.609 10.334 13.897 1.00 0.00 H new ATOM 0 HE2 MET A 2 24.233 10.548 12.170 1.00 0.00 H new ATOM 0 HE3 MET A 2 24.792 11.933 13.137 1.00 0.00 H new ATOM 25 N SER A 3 18.662 10.927 11.592 1.00 0.00 N ATOM 26 CA SER A 3 18.044 10.145 10.532 1.00 0.00 C ATOM 27 C SER A 3 16.562 9.964 10.862 1.00 0.00 C ATOM 28 O SER A 3 16.149 10.051 12.024 1.00 0.00 O ATOM 29 CB SER A 3 18.786 8.810 10.397 1.00 0.00 C ATOM 30 OG SER A 3 18.596 8.234 9.119 1.00 0.00 O ATOM 0 H SER A 3 18.694 10.444 12.490 1.00 0.00 H new ATOM 0 HA SER A 3 18.112 10.652 9.570 1.00 0.00 H new ATOM 0 HB2 SER A 3 19.851 8.966 10.572 1.00 0.00 H new ATOM 0 HB3 SER A 3 18.435 8.119 11.164 1.00 0.00 H new ATOM 0 HG SER A 3 19.084 7.386 9.067 1.00 0.00 H new ATOM 36 N ALA A 4 15.763 9.694 9.837 1.00 0.00 N ATOM 37 CA ALA A 4 14.365 9.322 9.947 1.00 0.00 C ATOM 38 C ALA A 4 14.081 8.279 8.871 1.00 0.00 C ATOM 39 O ALA A 4 14.861 8.115 7.928 1.00 0.00 O ATOM 40 CB ALA A 4 13.481 10.562 9.763 1.00 0.00 C ATOM 0 H ALA A 4 16.087 9.731 8.871 1.00 0.00 H new ATOM 0 HA ALA A 4 14.146 8.906 10.930 1.00 0.00 H new ATOM 0 HB1 ALA A 4 12.432 10.277 9.847 1.00 0.00 H new ATOM 0 HB2 ALA A 4 13.720 11.296 10.532 1.00 0.00 H new ATOM 0 HB3 ALA A 4 13.662 10.995 8.779 1.00 0.00 H new ATOM 46 N ASP A 5 12.948 7.598 8.984 1.00 0.00 N ATOM 47 CA ASP A 5 12.477 6.688 7.948 1.00 0.00 C ATOM 48 C ASP A 5 11.413 7.432 7.139 1.00 0.00 C ATOM 49 O ASP A 5 10.637 8.219 7.693 1.00 0.00 O ATOM 50 CB ASP A 5 11.965 5.379 8.577 1.00 0.00 C ATOM 51 CG ASP A 5 12.695 4.168 7.997 1.00 0.00 C ATOM 52 OD1 ASP A 5 13.757 3.802 8.558 1.00 0.00 O ATOM 53 OD2 ASP A 5 12.216 3.614 6.978 1.00 0.00 O ATOM 0 H ASP A 5 12.331 7.660 9.794 1.00 0.00 H new ATOM 0 HA ASP A 5 13.281 6.391 7.274 1.00 0.00 H new ATOM 0 HB2 ASP A 5 12.108 5.411 9.657 1.00 0.00 H new ATOM 0 HB3 ASP A 5 10.894 5.281 8.400 1.00 0.00 H new ATOM 58 N GLY A 6 11.324 7.167 5.836 1.00 0.00 N ATOM 59 CA GLY A 6 10.417 7.882 4.948 1.00 0.00 C ATOM 60 C GLY A 6 10.777 9.367 4.902 1.00 0.00 C ATOM 61 O GLY A 6 11.924 9.712 4.611 1.00 0.00 O ATOM 0 H GLY A 6 11.880 6.450 5.369 1.00 0.00 H new ATOM 0 HA2 GLY A 6 10.469 7.457 3.945 1.00 0.00 H new ATOM 0 HA3 GLY A 6 9.390 7.761 5.292 1.00 0.00 H new ATOM 65 N SER A 7 9.787 10.240 5.096 1.00 0.00 N ATOM 66 CA SER A 7 9.861 11.700 5.200 1.00 0.00 C ATOM 67 C SER A 7 8.430 12.222 5.286 1.00 0.00 C ATOM 68 O SER A 7 8.068 12.944 6.212 1.00 0.00 O ATOM 69 CB SER A 7 10.558 12.352 3.991 1.00 0.00 C ATOM 70 OG SER A 7 11.966 12.274 4.120 1.00 0.00 O ATOM 0 H SER A 7 8.825 9.914 5.193 1.00 0.00 H new ATOM 0 HA SER A 7 10.451 11.954 6.080 1.00 0.00 H new ATOM 0 HB2 SER A 7 10.244 11.855 3.073 1.00 0.00 H new ATOM 0 HB3 SER A 7 10.253 13.395 3.909 1.00 0.00 H new ATOM 0 HG SER A 7 12.207 11.442 4.578 1.00 0.00 H new ATOM 76 N GLU A 8 7.607 11.843 4.308 1.00 0.00 N ATOM 77 CA GLU A 8 6.297 12.436 4.072 1.00 0.00 C ATOM 78 C GLU A 8 5.227 11.356 3.904 1.00 0.00 C ATOM 79 O GLU A 8 4.042 11.662 3.891 1.00 0.00 O ATOM 80 CB GLU A 8 6.425 13.340 2.835 1.00 0.00 C ATOM 81 CG GLU A 8 5.511 14.565 2.848 1.00 0.00 C ATOM 82 CD GLU A 8 5.917 15.597 1.787 1.00 0.00 C ATOM 83 OE1 GLU A 8 6.324 15.217 0.658 1.00 0.00 O ATOM 84 OE2 GLU A 8 5.855 16.802 2.122 1.00 0.00 O ATOM 0 H GLU A 8 7.839 11.101 3.647 1.00 0.00 H new ATOM 0 HA GLU A 8 5.976 13.032 4.926 1.00 0.00 H new ATOM 0 HB2 GLU A 8 7.459 13.675 2.751 1.00 0.00 H new ATOM 0 HB3 GLU A 8 6.207 12.750 1.945 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.482 14.251 2.673 1.00 0.00 H new ATOM 0 HG3 GLU A 8 5.540 15.028 3.834 1.00 0.00 H new ATOM 91 N TYR A 9 5.616 10.079 3.833 1.00 0.00 N ATOM 92 CA TYR A 9 4.683 8.979 3.629 1.00 0.00 C ATOM 93 C TYR A 9 3.687 8.901 4.775 1.00 0.00 C ATOM 94 O TYR A 9 2.514 8.638 4.534 1.00 0.00 O ATOM 95 CB TYR A 9 5.450 7.664 3.501 1.00 0.00 C ATOM 96 CG TYR A 9 6.546 7.623 2.450 1.00 0.00 C ATOM 97 CD1 TYR A 9 6.523 8.446 1.305 1.00 0.00 C ATOM 98 CD2 TYR A 9 7.598 6.714 2.623 1.00 0.00 C ATOM 99 CE1 TYR A 9 7.542 8.347 0.343 1.00 0.00 C ATOM 100 CE2 TYR A 9 8.603 6.582 1.652 1.00 0.00 C ATOM 101 CZ TYR A 9 8.581 7.402 0.504 1.00 0.00 C ATOM 102 OH TYR A 9 9.554 7.285 -0.440 1.00 0.00 O ATOM 0 H TYR A 9 6.589 9.784 3.916 1.00 0.00 H new ATOM 0 HA TYR A 9 4.129 9.158 2.708 1.00 0.00 H new ATOM 0 HB2 TYR A 9 5.895 7.432 4.469 1.00 0.00 H new ATOM 0 HB3 TYR A 9 4.735 6.871 3.281 1.00 0.00 H new ATOM 0 HD1 TYR A 9 5.720 9.155 1.167 1.00 0.00 H new ATOM 0 HD2 TYR A 9 7.636 6.107 3.515 1.00 0.00 H new ATOM 0 HE1 TYR A 9 7.532 8.994 -0.521 1.00 0.00 H new ATOM 0 HE2 TYR A 9 9.391 5.855 1.783 1.00 0.00 H new ATOM 0 HH TYR A 9 10.189 6.589 -0.171 1.00 0.00 H new ATOM 112 N GLY A 10 4.128 9.184 6.004 1.00 0.00 N ATOM 113 CA GLY A 10 3.260 9.172 7.165 1.00 0.00 C ATOM 114 C GLY A 10 2.259 10.326 7.184 1.00 0.00 C ATOM 115 O GLY A 10 1.362 10.322 8.026 1.00 0.00 O ATOM 0 H GLY A 10 5.097 9.426 6.213 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.716 8.228 7.193 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.871 9.215 8.067 1.00 0.00 H new ATOM 119 N ARG A 11 2.392 11.330 6.306 1.00 0.00 N ATOM 120 CA ARG A 11 1.377 12.371 6.160 1.00 0.00 C ATOM 121 C ARG A 11 0.157 11.826 5.420 1.00 0.00 C ATOM 122 O ARG A 11 -0.910 12.438 5.500 1.00 0.00 O ATOM 123 CB ARG A 11 1.925 13.568 5.367 1.00 0.00 C ATOM 124 CG ARG A 11 3.234 14.163 5.903 1.00 0.00 C ATOM 125 CD ARG A 11 3.154 15.671 6.158 1.00 0.00 C ATOM 126 NE ARG A 11 2.618 15.972 7.503 1.00 0.00 N ATOM 127 CZ ARG A 11 2.178 17.154 7.958 1.00 0.00 C ATOM 128 NH1 ARG A 11 2.116 18.226 7.174 1.00 0.00 N ATOM 129 NH2 ARG A 11 1.783 17.271 9.219 1.00 0.00 N ATOM 0 H ARG A 11 3.196 11.439 5.687 1.00 0.00 H new ATOM 0 HA ARG A 11 1.096 12.694 7.162 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.082 13.258 4.334 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.167 14.352 5.353 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.501 13.658 6.831 1.00 0.00 H new ATOM 0 HG3 ARG A 11 4.034 13.964 5.190 1.00 0.00 H new ATOM 0 HD2 ARG A 11 4.146 16.110 6.055 1.00 0.00 H new ATOM 0 HD3 ARG A 11 2.520 16.135 5.402 1.00 0.00 H new ATOM 0 HE ARG A 11 2.579 15.192 8.159 1.00 0.00 H new ATOM 0 HH11 ARG A 11 2.408 18.162 6.199 1.00 0.00 H new ATOM 0 HH12 ARG A 11 1.777 19.112 7.548 1.00 0.00 H new ATOM 0 HH21 ARG A 11 1.814 16.463 9.840 1.00 0.00 H new ATOM 0 HH22 ARG A 11 1.448 18.169 9.567 1.00 0.00 H new ATOM 143 N TYR A 12 0.330 10.735 4.667 1.00 0.00 N ATOM 144 CA TYR A 12 -0.657 10.208 3.741 1.00 0.00 C ATOM 145 C TYR A 12 -1.148 8.823 4.176 1.00 0.00 C ATOM 146 O TYR A 12 -2.329 8.496 4.045 1.00 0.00 O ATOM 147 CB TYR A 12 -0.041 10.165 2.340 1.00 0.00 C ATOM 148 CG TYR A 12 0.729 11.413 1.922 1.00 0.00 C ATOM 149 CD1 TYR A 12 0.192 12.703 2.114 1.00 0.00 C ATOM 150 CD2 TYR A 12 2.006 11.284 1.349 1.00 0.00 C ATOM 151 CE1 TYR A 12 0.895 13.841 1.676 1.00 0.00 C ATOM 152 CE2 TYR A 12 2.701 12.412 0.876 1.00 0.00 C ATOM 153 CZ TYR A 12 2.140 13.701 1.028 1.00 0.00 C ATOM 154 OH TYR A 12 2.785 14.801 0.547 1.00 0.00 O ATOM 0 H TYR A 12 1.188 10.184 4.691 1.00 0.00 H new ATOM 0 HA TYR A 12 -1.530 10.860 3.734 1.00 0.00 H new ATOM 0 HB2 TYR A 12 0.631 9.309 2.284 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -0.838 9.992 1.617 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -0.765 12.818 2.600 1.00 0.00 H new ATOM 0 HD2 TYR A 12 2.459 10.307 1.271 1.00 0.00 H new ATOM 0 HE1 TYR A 12 0.480 14.825 1.837 1.00 0.00 H new ATOM 0 HE2 TYR A 12 3.662 12.294 0.397 1.00 0.00 H new ATOM 0 HH TYR A 12 3.629 14.529 0.131 1.00 0.00 H new ATOM 164 N PHE A 13 -0.236 7.995 4.677 1.00 0.00 N ATOM 165 CA PHE A 13 -0.479 6.674 5.216 1.00 0.00 C ATOM 166 C PHE A 13 -0.377 6.755 6.732 1.00 0.00 C ATOM 167 O PHE A 13 0.594 7.283 7.275 1.00 0.00 O ATOM 168 CB PHE A 13 0.553 5.717 4.602 1.00 0.00 C ATOM 169 CG PHE A 13 0.658 5.772 3.081 1.00 0.00 C ATOM 170 CD1 PHE A 13 -0.493 5.962 2.296 1.00 0.00 C ATOM 171 CD2 PHE A 13 1.902 5.641 2.436 1.00 0.00 C ATOM 172 CE1 PHE A 13 -0.427 5.980 0.893 1.00 0.00 C ATOM 173 CE2 PHE A 13 1.974 5.637 1.026 1.00 0.00 C ATOM 174 CZ PHE A 13 0.804 5.794 0.257 1.00 0.00 C ATOM 0 H PHE A 13 0.751 8.251 4.717 1.00 0.00 H new ATOM 0 HA PHE A 13 -1.472 6.299 4.971 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.532 5.940 5.027 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.302 4.698 4.897 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.448 6.097 2.782 1.00 0.00 H new ATOM 0 HD2 PHE A 13 2.804 5.543 3.021 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.322 6.137 0.309 1.00 0.00 H new ATOM 0 HE2 PHE A 13 2.928 5.513 0.536 1.00 0.00 H new ATOM 0 HZ PHE A 13 0.858 5.771 -0.821 1.00 0.00 H new ATOM 184 N GLU A 14 -1.371 6.200 7.424 1.00 0.00 N ATOM 185 CA GLU A 14 -1.456 6.263 8.873 1.00 0.00 C ATOM 186 C GLU A 14 -1.609 4.845 9.395 1.00 0.00 C ATOM 187 O GLU A 14 -1.851 3.914 8.633 1.00 0.00 O ATOM 188 CB GLU A 14 -2.583 7.212 9.302 1.00 0.00 C ATOM 189 CG GLU A 14 -2.084 8.160 10.390 1.00 0.00 C ATOM 190 CD GLU A 14 -3.091 9.233 10.810 1.00 0.00 C ATOM 191 OE1 GLU A 14 -4.328 9.054 10.715 1.00 0.00 O ATOM 192 OE2 GLU A 14 -2.615 10.294 11.268 1.00 0.00 O ATOM 0 H GLU A 14 -2.141 5.693 6.988 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.549 6.682 9.310 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.934 7.784 8.443 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -3.432 6.637 9.671 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -1.811 7.574 11.267 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.176 8.650 10.038 1.00 0.00 H new ATOM 199 N GLN A 15 -1.408 4.668 10.689 1.00 0.00 N ATOM 200 CA GLN A 15 -0.942 3.385 11.220 1.00 0.00 C ATOM 201 C GLN A 15 -2.009 2.320 11.375 1.00 0.00 C ATOM 202 O GLN A 15 -1.683 1.171 11.659 1.00 0.00 O ATOM 203 CB GLN A 15 -0.202 3.640 12.517 1.00 0.00 C ATOM 204 CG GLN A 15 -1.030 3.864 13.785 1.00 0.00 C ATOM 205 CD GLN A 15 -0.309 4.694 14.846 1.00 0.00 C ATOM 206 OE1 GLN A 15 -0.949 5.391 15.620 1.00 0.00 O ATOM 207 NE2 GLN A 15 1.012 4.643 14.947 1.00 0.00 N ATOM 0 H GLN A 15 -1.558 5.389 11.395 1.00 0.00 H new ATOM 0 HA GLN A 15 -0.273 2.957 10.473 1.00 0.00 H new ATOM 0 HB2 GLN A 15 0.460 2.793 12.696 1.00 0.00 H new ATOM 0 HB3 GLN A 15 0.432 4.515 12.373 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -1.962 4.362 13.517 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -1.296 2.897 14.211 1.00 0.00 H new ATOM 0 HE21 GLN A 15 1.551 4.063 14.304 1.00 0.00 H new ATOM 0 HE22 GLN A 15 1.490 5.184 15.668 1.00 0.00 H new ATOM 216 N LEU A 16 -3.256 2.716 11.182 1.00 0.00 N ATOM 217 CA LEU A 16 -4.454 1.903 11.197 1.00 0.00 C ATOM 218 C LEU A 16 -5.226 2.167 9.903 1.00 0.00 C ATOM 219 O LEU A 16 -6.296 1.601 9.690 1.00 0.00 O ATOM 220 CB LEU A 16 -5.286 2.269 12.438 1.00 0.00 C ATOM 221 CG LEU A 16 -4.477 2.324 13.747 1.00 0.00 C ATOM 222 CD1 LEU A 16 -5.268 2.975 14.873 1.00 0.00 C ATOM 223 CD2 LEU A 16 -3.989 0.936 14.140 1.00 0.00 C ATOM 0 H LEU A 16 -3.471 3.696 10.996 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.216 0.841 11.251 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.756 3.239 12.273 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.089 1.541 12.551 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.603 2.951 13.569 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.662 2.995 15.779 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.531 3.994 14.591 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -6.177 2.403 15.057 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.420 0.999 15.068 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.845 0.277 14.284 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.352 0.537 13.350 1.00 0.00 H new ATOM 235 N GLN A 17 -4.704 3.053 9.044 1.00 0.00 N ATOM 236 CA GLN A 17 -5.445 3.528 7.890 1.00 0.00 C ATOM 237 C GLN A 17 -5.451 2.430 6.844 1.00 0.00 C ATOM 238 O GLN A 17 -4.453 1.735 6.666 1.00 0.00 O ATOM 239 CB GLN A 17 -4.800 4.786 7.294 1.00 0.00 C ATOM 240 CG GLN A 17 -5.826 5.888 6.997 1.00 0.00 C ATOM 241 CD GLN A 17 -5.360 6.866 5.918 1.00 0.00 C ATOM 242 OE1 GLN A 17 -6.139 7.224 5.042 1.00 0.00 O ATOM 243 NE2 GLN A 17 -4.117 7.320 5.954 1.00 0.00 N ATOM 0 H GLN A 17 -3.769 3.450 9.135 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.459 3.781 8.200 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -4.050 5.169 7.987 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.279 4.522 6.374 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -6.763 5.429 6.682 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -6.034 6.440 7.914 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -3.482 7.011 6.690 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -3.794 7.979 5.245 1.00 0.00 H new ATOM 252 N LYS A 18 -6.540 2.317 6.092 1.00 0.00 N ATOM 253 CA LYS A 18 -6.719 1.219 5.161 1.00 0.00 C ATOM 254 C LYS A 18 -6.600 1.617 3.693 1.00 0.00 C ATOM 255 O LYS A 18 -7.382 2.396 3.153 1.00 0.00 O ATOM 256 CB LYS A 18 -7.887 0.341 5.598 1.00 0.00 C ATOM 257 CG LYS A 18 -9.295 0.620 5.084 1.00 0.00 C ATOM 258 CD LYS A 18 -10.257 1.034 6.201 1.00 0.00 C ATOM 259 CE LYS A 18 -11.710 0.698 5.870 1.00 0.00 C ATOM 260 NZ LYS A 18 -12.565 0.842 7.067 1.00 0.00 N ATOM 0 H LYS A 18 -7.315 2.980 6.113 1.00 0.00 H new ATOM 0 HA LYS A 18 -5.862 0.548 5.212 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -7.640 -0.684 5.322 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -7.928 0.377 6.687 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -9.254 1.409 4.333 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -9.681 -0.271 4.589 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -9.973 0.533 7.126 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -10.166 2.106 6.377 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -12.070 1.356 5.079 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -11.775 -0.322 5.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -13.548 0.609 6.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -12.232 0.196 7.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -12.517 1.822 7.412 1.00 0.00 H new ATOM 274 N VAL A 19 -5.553 1.091 3.074 1.00 0.00 N ATOM 275 CA VAL A 19 -5.041 1.387 1.737 1.00 0.00 C ATOM 276 C VAL A 19 -5.499 0.243 0.805 1.00 0.00 C ATOM 277 O VAL A 19 -5.978 -0.804 1.254 1.00 0.00 O ATOM 278 CB VAL A 19 -3.501 1.421 1.798 1.00 0.00 C ATOM 279 CG1 VAL A 19 -3.059 2.480 2.824 1.00 0.00 C ATOM 280 CG2 VAL A 19 -2.830 0.088 2.186 1.00 0.00 C ATOM 0 H VAL A 19 -4.986 0.380 3.535 1.00 0.00 H new ATOM 0 HA VAL A 19 -5.408 2.346 1.372 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.181 1.651 0.782 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.970 2.509 2.871 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.435 3.458 2.523 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.458 2.225 3.806 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.748 0.216 2.201 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -3.173 -0.218 3.174 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.095 -0.678 1.457 1.00 0.00 H new ATOM 290 N ASN A 20 -5.260 0.394 -0.495 1.00 0.00 N ATOM 291 CA ASN A 20 -5.485 -0.602 -1.539 1.00 0.00 C ATOM 292 C ASN A 20 -4.268 -1.519 -1.747 1.00 0.00 C ATOM 293 O ASN A 20 -3.155 -1.158 -1.358 1.00 0.00 O ATOM 294 CB ASN A 20 -5.777 0.150 -2.841 1.00 0.00 C ATOM 295 CG ASN A 20 -7.253 0.121 -3.203 1.00 0.00 C ATOM 296 OD1 ASN A 20 -7.975 1.086 -2.974 1.00 0.00 O ATOM 297 ND2 ASN A 20 -7.744 -0.973 -3.744 1.00 0.00 N ATOM 0 H ASN A 20 -4.883 1.264 -0.869 1.00 0.00 H new ATOM 0 HA ASN A 20 -6.318 -1.239 -1.241 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -5.449 1.185 -2.742 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -5.197 -0.292 -3.651 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -8.735 -1.026 -3.978 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -7.133 -1.769 -3.930 1.00 0.00 H new ATOM 304 N LEU A 21 -4.465 -2.665 -2.417 1.00 0.00 N ATOM 305 CA LEU A 21 -3.512 -3.776 -2.502 1.00 0.00 C ATOM 306 C LEU A 21 -3.349 -4.343 -3.922 1.00 0.00 C ATOM 307 O LEU A 21 -3.452 -5.555 -4.117 1.00 0.00 O ATOM 308 CB LEU A 21 -3.904 -4.949 -1.585 1.00 0.00 C ATOM 309 CG LEU A 21 -4.227 -4.655 -0.129 1.00 0.00 C ATOM 310 CD1 LEU A 21 -4.614 -6.001 0.487 1.00 0.00 C ATOM 311 CD2 LEU A 21 -3.065 -4.035 0.654 1.00 0.00 C ATOM 0 H LEU A 21 -5.326 -2.847 -2.933 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.568 -3.335 -2.183 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.773 -5.438 -2.025 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.088 -5.672 -1.604 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.024 -3.913 -0.080 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.860 -5.862 1.540 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.479 -6.406 -0.038 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.779 -6.695 0.398 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.375 -3.855 1.683 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.215 -4.717 0.645 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.777 -3.091 0.192 1.00 0.00 H new ATOM 323 N THR A 22 -3.088 -3.527 -4.941 1.00 0.00 N ATOM 324 CA THR A 22 -2.759 -4.105 -6.242 1.00 0.00 C ATOM 325 C THR A 22 -1.404 -4.810 -6.121 1.00 0.00 C ATOM 326 O THR A 22 -0.414 -4.172 -5.754 1.00 0.00 O ATOM 327 CB THR A 22 -2.781 -3.045 -7.347 1.00 0.00 C ATOM 328 OG1 THR A 22 -4.040 -2.379 -7.311 1.00 0.00 O ATOM 329 CG2 THR A 22 -2.548 -3.705 -8.714 1.00 0.00 C ATOM 0 H THR A 22 -3.096 -2.508 -4.899 1.00 0.00 H new ATOM 0 HA THR A 22 -3.512 -4.838 -6.531 1.00 0.00 H new ATOM 0 HB THR A 22 -1.984 -2.318 -7.188 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.069 -1.695 -8.013 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.565 -2.943 -9.493 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.579 -4.205 -8.716 1.00 0.00 H new ATOM 0 HG23 THR A 22 -3.334 -4.436 -8.904 1.00 0.00 H new ATOM 337 N VAL A 23 -1.361 -6.116 -6.387 1.00 0.00 N ATOM 338 CA VAL A 23 -0.135 -6.890 -6.581 1.00 0.00 C ATOM 339 C VAL A 23 -0.151 -7.467 -7.998 1.00 0.00 C ATOM 340 O VAL A 23 -1.135 -8.094 -8.391 1.00 0.00 O ATOM 341 CB VAL A 23 -0.013 -8.044 -5.560 1.00 0.00 C ATOM 342 CG1 VAL A 23 1.413 -8.591 -5.637 1.00 0.00 C ATOM 343 CG2 VAL A 23 -0.289 -7.680 -4.097 1.00 0.00 C ATOM 0 H VAL A 23 -2.205 -6.682 -6.476 1.00 0.00 H new ATOM 0 HA VAL A 23 0.720 -6.230 -6.433 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.785 -8.762 -5.839 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.528 -9.409 -4.925 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.608 -8.957 -6.645 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.121 -7.798 -5.396 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.174 -8.567 -3.474 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.416 -6.915 -3.773 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.306 -7.300 -4.002 1.00 0.00 H new ATOM 353 N ARG A 24 0.922 -7.297 -8.777 1.00 0.00 N ATOM 354 CA ARG A 24 1.043 -7.902 -10.101 1.00 0.00 C ATOM 355 C ARG A 24 1.225 -9.415 -9.960 1.00 0.00 C ATOM 356 O ARG A 24 2.145 -9.844 -9.262 1.00 0.00 O ATOM 357 CB ARG A 24 2.224 -7.223 -10.809 1.00 0.00 C ATOM 358 CG ARG A 24 2.479 -7.772 -12.211 1.00 0.00 C ATOM 359 CD ARG A 24 3.722 -7.185 -12.893 1.00 0.00 C ATOM 360 NE ARG A 24 3.559 -5.764 -13.231 1.00 0.00 N ATOM 361 CZ ARG A 24 4.236 -5.071 -14.157 1.00 0.00 C ATOM 362 NH1 ARG A 24 5.065 -5.654 -15.018 1.00 0.00 N ATOM 363 NH2 ARG A 24 4.069 -3.759 -14.231 1.00 0.00 N ATOM 0 H ARG A 24 1.729 -6.736 -8.505 1.00 0.00 H new ATOM 0 HA ARG A 24 0.145 -7.755 -10.700 1.00 0.00 H new ATOM 0 HB2 ARG A 24 2.033 -6.152 -10.874 1.00 0.00 H new ATOM 0 HB3 ARG A 24 3.123 -7.351 -10.206 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.586 -8.855 -12.152 1.00 0.00 H new ATOM 0 HG3 ARG A 24 1.607 -7.572 -12.833 1.00 0.00 H new ATOM 0 HD2 ARG A 24 4.583 -7.302 -12.235 1.00 0.00 H new ATOM 0 HD3 ARG A 24 3.935 -7.749 -13.801 1.00 0.00 H new ATOM 0 HE ARG A 24 2.854 -5.249 -12.703 1.00 0.00 H new ATOM 0 HH11 ARG A 24 5.204 -6.664 -14.988 1.00 0.00 H new ATOM 0 HH12 ARG A 24 5.562 -5.091 -15.708 1.00 0.00 H new ATOM 0 HH21 ARG A 24 3.432 -3.289 -13.588 1.00 0.00 H new ATOM 0 HH22 ARG A 24 4.578 -3.219 -14.931 1.00 0.00 H new ATOM 377 N LEU A 25 0.411 -10.224 -10.646 1.00 0.00 N ATOM 378 CA LEU A 25 0.556 -11.666 -10.778 1.00 0.00 C ATOM 379 C LEU A 25 1.012 -11.983 -12.207 1.00 0.00 C ATOM 380 O LEU A 25 0.308 -12.648 -12.974 1.00 0.00 O ATOM 381 CB LEU A 25 -0.780 -12.345 -10.466 1.00 0.00 C ATOM 382 CG LEU A 25 -1.166 -12.447 -8.991 1.00 0.00 C ATOM 383 CD1 LEU A 25 -0.691 -11.479 -7.900 1.00 0.00 C ATOM 384 CD2 LEU A 25 -2.610 -12.936 -8.798 1.00 0.00 C ATOM 0 H LEU A 25 -0.404 -9.868 -11.146 1.00 0.00 H new ATOM 0 HA LEU A 25 1.300 -12.041 -10.075 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.568 -11.803 -10.988 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.756 -13.352 -10.883 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.419 -13.199 -8.737 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.112 -11.778 -6.940 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.397 -11.502 -7.842 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.020 -10.468 -8.142 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.836 -12.992 -7.733 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.297 -12.240 -9.279 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.722 -13.924 -9.245 1.00 0.00 H new ATOM 396 N GLY A 26 2.195 -11.503 -12.585 1.00 0.00 N ATOM 397 CA GLY A 26 2.649 -11.618 -13.964 1.00 0.00 C ATOM 398 C GLY A 26 1.921 -10.612 -14.857 1.00 0.00 C ATOM 399 O GLY A 26 1.257 -9.699 -14.364 1.00 0.00 O ATOM 0 H GLY A 26 2.850 -11.035 -11.959 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.724 -11.445 -14.014 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.471 -12.630 -14.328 1.00 0.00 H new ATOM 403 N ASP A 27 2.077 -10.730 -16.175 1.00 0.00 N ATOM 404 CA ASP A 27 1.625 -9.690 -17.111 1.00 0.00 C ATOM 405 C ASP A 27 0.115 -9.667 -17.319 1.00 0.00 C ATOM 406 O ASP A 27 -0.433 -8.627 -17.682 1.00 0.00 O ATOM 407 CB ASP A 27 2.300 -9.861 -18.482 1.00 0.00 C ATOM 408 CG ASP A 27 3.647 -9.149 -18.549 1.00 0.00 C ATOM 409 OD1 ASP A 27 3.773 -8.040 -17.987 1.00 0.00 O ATOM 410 OD2 ASP A 27 4.612 -9.724 -19.104 1.00 0.00 O ATOM 0 H ASP A 27 2.513 -11.535 -16.624 1.00 0.00 H new ATOM 0 HA ASP A 27 1.912 -8.745 -16.650 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.440 -10.922 -18.687 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.644 -9.470 -19.260 1.00 0.00 H new ATOM 415 N THR A 28 -0.571 -10.790 -17.113 1.00 0.00 N ATOM 416 CA THR A 28 -1.992 -10.931 -17.435 1.00 0.00 C ATOM 417 C THR A 28 -2.739 -11.533 -16.244 1.00 0.00 C ATOM 418 O THR A 28 -3.570 -12.430 -16.393 1.00 0.00 O ATOM 419 CB THR A 28 -2.164 -11.685 -18.770 1.00 0.00 C ATOM 420 OG1 THR A 28 -1.372 -12.858 -18.821 1.00 0.00 O ATOM 421 CG2 THR A 28 -1.768 -10.819 -19.970 1.00 0.00 C ATOM 0 H THR A 28 -0.155 -11.633 -16.716 1.00 0.00 H new ATOM 0 HA THR A 28 -2.452 -9.957 -17.600 1.00 0.00 H new ATOM 0 HB THR A 28 -3.222 -11.942 -18.822 1.00 0.00 H new ATOM 0 HG1 THR A 28 -1.509 -13.308 -19.680 1.00 0.00 H new ATOM 0 HG21 THR A 28 -1.904 -11.388 -20.890 1.00 0.00 H new ATOM 0 HG22 THR A 28 -2.395 -9.928 -19.998 1.00 0.00 H new ATOM 0 HG23 THR A 28 -0.723 -10.524 -19.877 1.00 0.00 H new ATOM 429 N GLY A 29 -2.411 -11.071 -15.039 1.00 0.00 N ATOM 430 CA GLY A 29 -3.247 -11.266 -13.871 1.00 0.00 C ATOM 431 C GLY A 29 -2.743 -10.447 -12.699 1.00 0.00 C ATOM 432 O GLY A 29 -1.621 -9.928 -12.742 1.00 0.00 O ATOM 0 H GLY A 29 -1.554 -10.550 -14.852 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -4.274 -10.982 -14.103 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -3.261 -12.322 -13.602 1.00 0.00 H new ATOM 436 N SER A 30 -3.534 -10.352 -11.632 1.00 0.00 N ATOM 437 CA SER A 30 -3.122 -9.686 -10.400 1.00 0.00 C ATOM 438 C SER A 30 -4.171 -9.883 -9.308 1.00 0.00 C ATOM 439 O SER A 30 -5.319 -10.266 -9.561 1.00 0.00 O ATOM 440 CB SER A 30 -2.914 -8.176 -10.686 1.00 0.00 C ATOM 441 OG SER A 30 -3.803 -7.645 -11.665 1.00 0.00 O ATOM 0 H SER A 30 -4.479 -10.735 -11.598 1.00 0.00 H new ATOM 0 HA SER A 30 -2.186 -10.121 -10.049 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.039 -7.620 -9.757 1.00 0.00 H new ATOM 0 HB3 SER A 30 -1.888 -8.017 -11.017 1.00 0.00 H new ATOM 0 HG SER A 30 -3.617 -6.691 -11.793 1.00 0.00 H new ATOM 447 N PHE A 31 -3.748 -9.646 -8.072 1.00 0.00 N ATOM 448 CA PHE A 31 -4.630 -9.503 -6.936 1.00 0.00 C ATOM 449 C PHE A 31 -4.809 -8.002 -6.768 1.00 0.00 C ATOM 450 O PHE A 31 -3.864 -7.240 -6.968 1.00 0.00 O ATOM 451 CB PHE A 31 -3.989 -10.178 -5.712 1.00 0.00 C ATOM 452 CG PHE A 31 -4.749 -9.998 -4.408 1.00 0.00 C ATOM 453 CD1 PHE A 31 -5.843 -10.830 -4.095 1.00 0.00 C ATOM 454 CD2 PHE A 31 -4.338 -9.015 -3.486 1.00 0.00 C ATOM 455 CE1 PHE A 31 -6.506 -10.694 -2.860 1.00 0.00 C ATOM 456 CE2 PHE A 31 -4.999 -8.885 -2.251 1.00 0.00 C ATOM 457 CZ PHE A 31 -6.080 -9.726 -1.933 1.00 0.00 C ATOM 0 H PHE A 31 -2.761 -9.547 -7.834 1.00 0.00 H new ATOM 0 HA PHE A 31 -5.601 -9.982 -7.065 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -3.891 -11.245 -5.914 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -2.981 -9.784 -5.585 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -6.174 -11.574 -4.804 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -3.514 -8.360 -3.728 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -7.343 -11.334 -2.624 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.675 -8.136 -1.544 1.00 0.00 H new ATOM 0 HZ PHE A 31 -6.581 -9.629 -0.981 1.00 0.00 H new ATOM 467 N ASP A 32 -6.006 -7.564 -6.402 1.00 0.00 N ATOM 468 CA ASP A 32 -6.244 -6.223 -5.920 1.00 0.00 C ATOM 469 C ASP A 32 -7.117 -6.399 -4.674 1.00 0.00 C ATOM 470 O ASP A 32 -7.845 -7.392 -4.565 1.00 0.00 O ATOM 471 CB ASP A 32 -6.889 -5.369 -7.019 1.00 0.00 C ATOM 472 CG ASP A 32 -8.282 -4.825 -6.700 1.00 0.00 C ATOM 473 OD1 ASP A 32 -9.286 -5.552 -6.857 1.00 0.00 O ATOM 474 OD2 ASP A 32 -8.342 -3.627 -6.331 1.00 0.00 O ATOM 0 H ASP A 32 -6.845 -8.143 -6.434 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.332 -5.686 -5.659 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -6.230 -4.528 -7.234 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.951 -5.966 -7.929 1.00 0.00 H new ATOM 479 N GLY A 33 -7.005 -5.491 -3.710 1.00 0.00 N ATOM 480 CA GLY A 33 -7.688 -5.665 -2.434 1.00 0.00 C ATOM 481 C GLY A 33 -7.576 -4.453 -1.522 1.00 0.00 C ATOM 482 O GLY A 33 -7.166 -3.378 -1.965 1.00 0.00 O ATOM 0 H GLY A 33 -6.454 -4.636 -3.786 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.741 -5.876 -2.619 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -7.274 -6.535 -1.924 1.00 0.00 H new ATOM 486 N THR A 34 -7.906 -4.626 -0.241 1.00 0.00 N ATOM 487 CA THR A 34 -7.775 -3.610 0.802 1.00 0.00 C ATOM 488 C THR A 34 -7.036 -4.249 1.985 1.00 0.00 C ATOM 489 O THR A 34 -7.212 -5.443 2.234 1.00 0.00 O ATOM 490 CB THR A 34 -9.168 -3.081 1.231 1.00 0.00 C ATOM 491 OG1 THR A 34 -10.196 -3.421 0.311 1.00 0.00 O ATOM 492 CG2 THR A 34 -9.173 -1.556 1.365 1.00 0.00 C ATOM 0 H THR A 34 -8.284 -5.506 0.109 1.00 0.00 H new ATOM 0 HA THR A 34 -7.212 -2.754 0.430 1.00 0.00 H new ATOM 0 HB THR A 34 -9.365 -3.558 2.191 1.00 0.00 H new ATOM 0 HG1 THR A 34 -11.052 -3.065 0.630 1.00 0.00 H new ATOM 0 HG21 THR A 34 -10.165 -1.221 1.667 1.00 0.00 H new ATOM 0 HG22 THR A 34 -8.444 -1.254 2.117 1.00 0.00 H new ATOM 0 HG23 THR A 34 -8.914 -1.106 0.407 1.00 0.00 H new ATOM 500 N ALA A 35 -6.242 -3.480 2.735 1.00 0.00 N ATOM 501 CA ALA A 35 -5.786 -3.869 4.067 1.00 0.00 C ATOM 502 C ALA A 35 -5.757 -2.637 4.940 1.00 0.00 C ATOM 503 O ALA A 35 -5.424 -1.556 4.443 1.00 0.00 O ATOM 504 CB ALA A 35 -4.376 -4.462 4.077 1.00 0.00 C ATOM 0 H ALA A 35 -5.898 -2.569 2.433 1.00 0.00 H new ATOM 0 HA ALA A 35 -6.477 -4.632 4.427 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.101 -4.729 5.097 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.352 -5.353 3.450 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -3.669 -3.727 3.691 1.00 0.00 H new ATOM 510 N ALA A 36 -6.046 -2.805 6.231 1.00 0.00 N ATOM 511 CA ALA A 36 -5.669 -1.797 7.201 1.00 0.00 C ATOM 512 C ALA A 36 -4.162 -1.924 7.409 1.00 0.00 C ATOM 513 O ALA A 36 -3.612 -3.030 7.343 1.00 0.00 O ATOM 514 CB ALA A 36 -6.429 -2.003 8.509 1.00 0.00 C ATOM 0 H ALA A 36 -6.531 -3.616 6.616 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.920 -0.797 6.847 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.133 -1.237 9.226 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.501 -1.931 8.322 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.196 -2.988 8.914 1.00 0.00 H new ATOM 520 N ILE A 37 -3.499 -0.800 7.651 1.00 0.00 N ATOM 521 CA ILE A 37 -2.173 -0.755 8.219 1.00 0.00 C ATOM 522 C ILE A 37 -2.302 -1.193 9.692 1.00 0.00 C ATOM 523 O ILE A 37 -3.390 -1.212 10.272 1.00 0.00 O ATOM 524 CB ILE A 37 -1.590 0.663 7.973 1.00 0.00 C ATOM 525 CG1 ILE A 37 -1.427 0.882 6.446 1.00 0.00 C ATOM 526 CG2 ILE A 37 -0.213 0.881 8.629 1.00 0.00 C ATOM 527 CD1 ILE A 37 -1.067 2.304 5.994 1.00 0.00 C ATOM 0 H ILE A 37 -3.884 0.123 7.450 1.00 0.00 H new ATOM 0 HA ILE A 37 -1.458 -1.437 7.759 1.00 0.00 H new ATOM 0 HB ILE A 37 -2.288 1.370 8.421 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.655 0.203 6.084 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.358 0.594 5.958 1.00 0.00 H new ATOM 0 HG21 ILE A 37 0.135 1.892 8.417 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.298 0.745 9.707 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.499 0.160 8.227 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.981 2.330 4.908 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.847 2.995 6.313 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.117 2.598 6.440 1.00 0.00 H new ATOM 539 N THR A 38 -1.184 -1.592 10.288 1.00 0.00 N ATOM 540 CA THR A 38 -1.118 -2.032 11.677 1.00 0.00 C ATOM 541 C THR A 38 0.162 -1.570 12.381 1.00 0.00 C ATOM 542 O THR A 38 0.277 -1.588 13.609 1.00 0.00 O ATOM 543 CB THR A 38 -1.395 -3.530 11.700 1.00 0.00 C ATOM 544 OG1 THR A 38 -1.700 -4.018 12.988 1.00 0.00 O ATOM 545 CG2 THR A 38 -0.284 -4.321 11.063 1.00 0.00 C ATOM 0 H THR A 38 -0.283 -1.619 9.811 1.00 0.00 H new ATOM 0 HA THR A 38 -1.887 -1.551 12.281 1.00 0.00 H new ATOM 0 HB THR A 38 -2.291 -3.672 11.096 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.595 -4.416 12.983 1.00 0.00 H new ATOM 0 HG21 THR A 38 -0.525 -5.383 11.102 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.168 -4.013 10.024 1.00 0.00 H new ATOM 0 HG23 THR A 38 0.646 -4.140 11.601 1.00 0.00 H new ATOM 553 N SER A 39 1.138 -1.107 11.610 1.00 0.00 N ATOM 554 CA SER A 39 2.241 -0.281 12.065 1.00 0.00 C ATOM 555 C SER A 39 2.754 0.482 10.853 1.00 0.00 C ATOM 556 O SER A 39 2.701 -0.039 9.737 1.00 0.00 O ATOM 557 CB SER A 39 3.368 -1.162 12.610 1.00 0.00 C ATOM 558 OG SER A 39 3.025 -1.757 13.850 1.00 0.00 O ATOM 0 H SER A 39 1.181 -1.307 10.611 1.00 0.00 H new ATOM 0 HA SER A 39 1.912 0.393 12.856 1.00 0.00 H new ATOM 0 HB2 SER A 39 3.601 -1.942 11.886 1.00 0.00 H new ATOM 0 HB3 SER A 39 4.270 -0.562 12.733 1.00 0.00 H new ATOM 0 HG SER A 39 2.052 -1.738 13.964 1.00 0.00 H new ATOM 564 N LEU A 40 3.314 1.672 11.061 1.00 0.00 N ATOM 565 CA LEU A 40 4.076 2.362 10.031 1.00 0.00 C ATOM 566 C LEU A 40 5.257 3.061 10.659 1.00 0.00 C ATOM 567 O LEU A 40 5.181 3.638 11.747 1.00 0.00 O ATOM 568 CB LEU A 40 3.158 3.302 9.223 1.00 0.00 C ATOM 569 CG LEU A 40 3.886 4.247 8.231 1.00 0.00 C ATOM 570 CD1 LEU A 40 3.393 4.056 6.801 1.00 0.00 C ATOM 571 CD2 LEU A 40 3.713 5.705 8.654 1.00 0.00 C ATOM 0 H LEU A 40 3.251 2.180 11.944 1.00 0.00 H new ATOM 0 HA LEU A 40 4.478 1.647 9.314 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.445 2.695 8.665 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.582 3.909 9.921 1.00 0.00 H new ATOM 0 HG LEU A 40 4.945 3.990 8.256 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.928 4.736 6.138 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.573 3.028 6.488 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.325 4.268 6.753 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.230 6.353 7.946 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.652 5.956 8.668 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.133 5.847 9.650 1.00 0.00 H new ATOM 583 N LYS A 41 6.368 2.960 9.952 1.00 0.00 N ATOM 584 CA LYS A 41 7.649 3.497 10.290 1.00 0.00 C ATOM 585 C LYS A 41 8.226 4.058 8.993 1.00 0.00 C ATOM 586 O LYS A 41 8.992 3.401 8.297 1.00 0.00 O ATOM 587 CB LYS A 41 8.454 2.422 11.024 1.00 0.00 C ATOM 588 CG LYS A 41 8.645 1.071 10.319 1.00 0.00 C ATOM 589 CD LYS A 41 9.268 0.018 11.236 1.00 0.00 C ATOM 590 CE LYS A 41 8.216 -0.739 12.058 1.00 0.00 C ATOM 591 NZ LYS A 41 8.835 -1.786 12.898 1.00 0.00 N ATOM 0 H LYS A 41 6.386 2.461 9.063 1.00 0.00 H new ATOM 0 HA LYS A 41 7.640 4.326 10.998 1.00 0.00 H new ATOM 0 HB2 LYS A 41 9.441 2.831 11.240 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.969 2.235 11.982 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.680 0.712 9.961 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.280 1.208 9.443 1.00 0.00 H new ATOM 0 HD2 LYS A 41 9.836 -0.693 10.635 1.00 0.00 H new ATOM 0 HD3 LYS A 41 9.974 0.501 11.911 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.673 -0.037 12.691 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.487 -1.193 11.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.096 -2.278 13.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 9.332 -2.469 12.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 9.513 -1.349 13.554 1.00 0.00 H new ATOM 605 N GLY A 42 7.763 5.256 8.627 1.00 0.00 N ATOM 606 CA GLY A 42 8.172 5.988 7.441 1.00 0.00 C ATOM 607 C GLY A 42 8.070 5.171 6.157 1.00 0.00 C ATOM 608 O GLY A 42 6.965 4.981 5.665 1.00 0.00 O ATOM 0 H GLY A 42 7.065 5.757 9.176 1.00 0.00 H new ATOM 0 HA2 GLY A 42 7.555 6.881 7.344 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.201 6.324 7.568 1.00 0.00 H new ATOM 612 N SER A 43 9.198 4.727 5.587 1.00 0.00 N ATOM 613 CA SER A 43 9.284 3.912 4.366 1.00 0.00 C ATOM 614 C SER A 43 8.826 2.475 4.538 1.00 0.00 C ATOM 615 O SER A 43 8.970 1.712 3.589 1.00 0.00 O ATOM 616 CB SER A 43 10.668 4.024 3.707 1.00 0.00 C ATOM 617 OG SER A 43 11.739 4.440 4.552 1.00 0.00 O ATOM 0 H SER A 43 10.116 4.935 5.981 1.00 0.00 H new ATOM 0 HA SER A 43 8.559 4.341 3.675 1.00 0.00 H new ATOM 0 HB2 SER A 43 10.924 3.053 3.283 1.00 0.00 H new ATOM 0 HB3 SER A 43 10.595 4.726 2.876 1.00 0.00 H new ATOM 0 HG SER A 43 11.775 3.862 5.343 1.00 0.00 H new ATOM 623 N LEU A 44 8.216 2.121 5.664 1.00 0.00 N ATOM 624 CA LEU A 44 7.602 0.823 5.867 1.00 0.00 C ATOM 625 C LEU A 44 6.203 0.999 6.447 1.00 0.00 C ATOM 626 O LEU A 44 6.063 1.653 7.481 1.00 0.00 O ATOM 627 CB LEU A 44 8.478 -0.003 6.811 1.00 0.00 C ATOM 628 CG LEU A 44 8.171 -1.504 6.731 1.00 0.00 C ATOM 629 CD1 LEU A 44 8.870 -2.095 5.508 1.00 0.00 C ATOM 630 CD2 LEU A 44 8.659 -2.204 8.001 1.00 0.00 C ATOM 0 H LEU A 44 8.136 2.740 6.471 1.00 0.00 H new ATOM 0 HA LEU A 44 7.515 0.300 4.915 1.00 0.00 H new ATOM 0 HB2 LEU A 44 9.527 0.164 6.568 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.330 0.341 7.834 1.00 0.00 H new ATOM 0 HG LEU A 44 7.095 -1.652 6.641 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.655 -3.162 5.446 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.508 -1.599 4.607 1.00 0.00 H new ATOM 0 HD13 LEU A 44 9.946 -1.946 5.597 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.438 -3.269 7.937 1.00 0.00 H new ATOM 0 HD22 LEU A 44 9.735 -2.062 8.104 1.00 0.00 H new ATOM 0 HD23 LEU A 44 8.153 -1.780 8.868 1.00 0.00 H new ATOM 642 N ALA A 45 5.190 0.365 5.854 1.00 0.00 N ATOM 643 CA ALA A 45 3.954 0.020 6.558 1.00 0.00 C ATOM 644 C ALA A 45 3.941 -1.492 6.779 1.00 0.00 C ATOM 645 O ALA A 45 4.587 -2.218 6.026 1.00 0.00 O ATOM 646 CB ALA A 45 2.723 0.440 5.745 1.00 0.00 C ATOM 0 H ALA A 45 5.203 0.077 4.876 1.00 0.00 H new ATOM 0 HA ALA A 45 3.917 0.548 7.511 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.818 0.172 6.290 1.00 0.00 H new ATOM 0 HB2 ALA A 45 2.744 1.518 5.584 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.731 -0.071 4.782 1.00 0.00 H new ATOM 652 N TRP A 46 3.155 -1.973 7.741 1.00 0.00 N ATOM 653 CA TRP A 46 2.697 -3.356 7.829 1.00 0.00 C ATOM 654 C TRP A 46 1.186 -3.360 7.725 1.00 0.00 C ATOM 655 O TRP A 46 0.545 -2.424 8.206 1.00 0.00 O ATOM 656 CB TRP A 46 3.128 -4.022 9.140 1.00 0.00 C ATOM 657 CG TRP A 46 4.461 -4.712 9.077 1.00 0.00 C ATOM 658 CD1 TRP A 46 5.656 -4.084 9.152 1.00 0.00 C ATOM 659 CD2 TRP A 46 4.772 -6.135 8.894 1.00 0.00 C ATOM 660 NE1 TRP A 46 6.675 -5.006 9.057 1.00 0.00 N ATOM 661 CE2 TRP A 46 6.192 -6.278 8.868 1.00 0.00 C ATOM 662 CE3 TRP A 46 4.025 -7.324 8.727 1.00 0.00 C ATOM 663 CZ2 TRP A 46 6.831 -7.509 8.673 1.00 0.00 C ATOM 664 CZ3 TRP A 46 4.654 -8.570 8.543 1.00 0.00 C ATOM 665 CH2 TRP A 46 6.056 -8.664 8.506 1.00 0.00 C ATOM 0 H TRP A 46 2.809 -1.391 8.504 1.00 0.00 H new ATOM 0 HA TRP A 46 3.147 -3.927 7.017 1.00 0.00 H new ATOM 0 HB2 TRP A 46 3.161 -3.265 9.924 1.00 0.00 H new ATOM 0 HB3 TRP A 46 2.370 -4.749 9.430 1.00 0.00 H new ATOM 0 HD1 TRP A 46 5.791 -3.019 9.269 1.00 0.00 H new ATOM 0 HE1 TRP A 46 7.666 -4.773 9.119 1.00 0.00 H new ATOM 0 HE3 TRP A 46 2.946 -7.275 8.741 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 7.909 -7.567 8.652 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 4.054 -9.461 8.429 1.00 0.00 H new ATOM 0 HH2 TRP A 46 6.533 -9.620 8.350 1.00 0.00 H new ATOM 676 N LEU A 47 0.634 -4.417 7.132 1.00 0.00 N ATOM 677 CA LEU A 47 -0.774 -4.610 6.844 1.00 0.00 C ATOM 678 C LEU A 47 -1.344 -5.796 7.627 1.00 0.00 C ATOM 679 O LEU A 47 -0.587 -6.596 8.188 1.00 0.00 O ATOM 680 CB LEU A 47 -0.932 -4.904 5.347 1.00 0.00 C ATOM 681 CG LEU A 47 -0.535 -3.825 4.332 1.00 0.00 C ATOM 682 CD1 LEU A 47 -1.033 -2.422 4.700 1.00 0.00 C ATOM 683 CD2 LEU A 47 0.961 -3.772 4.030 1.00 0.00 C ATOM 0 H LEU A 47 1.199 -5.208 6.823 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.311 -3.707 7.132 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.348 -5.797 5.124 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.978 -5.154 5.169 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.046 -4.143 3.423 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.715 -1.711 3.937 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.121 -2.426 4.760 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.617 -2.130 5.664 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.158 -2.983 3.304 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.510 -3.565 4.948 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.284 -4.730 3.622 1.00 0.00 H new ATOM 695 N GLU A 48 -2.674 -5.933 7.608 1.00 0.00 N ATOM 696 CA GLU A 48 -3.428 -7.028 8.232 1.00 0.00 C ATOM 697 C GLU A 48 -4.653 -7.516 7.436 1.00 0.00 C ATOM 698 O GLU A 48 -5.550 -8.152 7.995 1.00 0.00 O ATOM 699 CB GLU A 48 -3.811 -6.616 9.670 1.00 0.00 C ATOM 700 CG GLU A 48 -4.853 -5.485 9.709 1.00 0.00 C ATOM 701 CD GLU A 48 -5.115 -4.876 11.099 1.00 0.00 C ATOM 702 OE1 GLU A 48 -4.206 -4.865 11.974 1.00 0.00 O ATOM 703 OE2 GLU A 48 -6.220 -4.341 11.330 1.00 0.00 O ATOM 0 H GLU A 48 -3.279 -5.259 7.140 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.767 -7.895 8.245 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.204 -7.484 10.199 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.915 -6.297 10.202 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.527 -4.690 9.038 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.795 -5.868 9.315 1.00 0.00 H new ATOM 710 N LEU A 49 -4.681 -7.267 6.127 1.00 0.00 N ATOM 711 CA LEU A 49 -5.803 -7.515 5.217 1.00 0.00 C ATOM 712 C LEU A 49 -7.112 -6.803 5.596 1.00 0.00 C ATOM 713 O LEU A 49 -7.182 -5.990 6.527 1.00 0.00 O ATOM 714 CB LEU A 49 -5.990 -9.037 4.988 1.00 0.00 C ATOM 715 CG LEU A 49 -5.402 -9.539 3.663 1.00 0.00 C ATOM 716 CD1 LEU A 49 -5.658 -11.041 3.502 1.00 0.00 C ATOM 717 CD2 LEU A 49 -6.026 -8.878 2.421 1.00 0.00 C ATOM 0 H LEU A 49 -3.877 -6.864 5.645 1.00 0.00 H new ATOM 0 HA LEU A 49 -5.531 -7.054 4.268 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.524 -9.579 5.811 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.054 -9.271 5.015 1.00 0.00 H new ATOM 0 HG LEU A 49 -4.342 -9.291 3.717 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.235 -11.383 2.557 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.190 -11.580 4.325 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -6.731 -11.230 3.509 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.561 -9.282 1.522 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.096 -9.082 2.399 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.863 -7.801 2.461 1.00 0.00 H new ATOM 729 N PHE A 50 -8.142 -7.062 4.790 1.00 0.00 N ATOM 730 CA PHE A 50 -9.552 -6.813 5.043 1.00 0.00 C ATOM 731 C PHE A 50 -10.342 -8.056 4.622 1.00 0.00 C ATOM 732 O PHE A 50 -9.783 -8.990 4.044 1.00 0.00 O ATOM 733 CB PHE A 50 -10.025 -5.572 4.266 1.00 0.00 C ATOM 734 CG PHE A 50 -10.443 -4.451 5.180 1.00 0.00 C ATOM 735 CD1 PHE A 50 -11.712 -4.475 5.781 1.00 0.00 C ATOM 736 CD2 PHE A 50 -9.540 -3.422 5.490 1.00 0.00 C ATOM 737 CE1 PHE A 50 -12.077 -3.484 6.700 1.00 0.00 C ATOM 738 CE2 PHE A 50 -9.907 -2.433 6.413 1.00 0.00 C ATOM 739 CZ PHE A 50 -11.171 -2.465 7.026 1.00 0.00 C ATOM 0 H PHE A 50 -7.995 -7.484 3.873 1.00 0.00 H new ATOM 0 HA PHE A 50 -9.715 -6.617 6.103 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -9.223 -5.226 3.614 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -10.862 -5.845 3.624 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -12.409 -5.261 5.533 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -8.568 -3.392 5.020 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -13.055 -3.504 7.157 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -9.214 -1.641 6.655 1.00 0.00 H new ATOM 0 HZ PHE A 50 -11.444 -1.707 7.746 1.00 0.00 H new ATOM 749 N GLY A 51 -11.650 -8.063 4.879 1.00 0.00 N ATOM 750 CA GLY A 51 -12.637 -8.842 4.143 1.00 0.00 C ATOM 751 C GLY A 51 -12.640 -10.357 4.346 1.00 0.00 C ATOM 752 O GLY A 51 -13.476 -11.021 3.736 1.00 0.00 O ATOM 0 H GLY A 51 -12.061 -7.508 5.629 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -13.626 -8.466 4.407 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -12.495 -8.646 3.080 1.00 0.00 H new ATOM 756 N ALA A 52 -11.761 -10.911 5.187 1.00 0.00 N ATOM 757 CA ALA A 52 -11.557 -12.333 5.493 1.00 0.00 C ATOM 758 C ALA A 52 -11.034 -13.189 4.333 1.00 0.00 C ATOM 759 O ALA A 52 -10.293 -14.141 4.580 1.00 0.00 O ATOM 760 CB ALA A 52 -12.822 -12.963 6.068 1.00 0.00 C ATOM 0 H ALA A 52 -11.117 -10.325 5.718 1.00 0.00 H new ATOM 0 HA ALA A 52 -10.762 -12.329 6.239 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -12.638 -14.016 6.284 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -13.100 -12.447 6.987 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -13.633 -12.877 5.344 1.00 0.00 H new ATOM 766 N GLU A 53 -11.387 -12.875 3.089 1.00 0.00 N ATOM 767 CA GLU A 53 -10.784 -13.399 1.865 1.00 0.00 C ATOM 768 C GLU A 53 -9.281 -13.083 1.824 1.00 0.00 C ATOM 769 O GLU A 53 -8.832 -12.172 2.513 1.00 0.00 O ATOM 770 CB GLU A 53 -11.526 -12.798 0.661 1.00 0.00 C ATOM 771 CG GLU A 53 -11.456 -11.259 0.600 1.00 0.00 C ATOM 772 CD GLU A 53 -12.386 -10.674 -0.465 1.00 0.00 C ATOM 773 OE1 GLU A 53 -12.434 -11.185 -1.613 1.00 0.00 O ATOM 774 OE2 GLU A 53 -13.161 -9.745 -0.150 1.00 0.00 O ATOM 0 H GLU A 53 -12.140 -12.214 2.897 1.00 0.00 H new ATOM 0 HA GLU A 53 -10.878 -14.484 1.834 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -11.106 -13.209 -0.257 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -12.571 -13.105 0.699 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -11.719 -10.847 1.574 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -10.431 -10.953 0.391 1.00 0.00 H new ATOM 781 N GLN A 54 -8.494 -13.824 1.037 1.00 0.00 N ATOM 782 CA GLN A 54 -7.050 -13.605 0.913 1.00 0.00 C ATOM 783 C GLN A 54 -6.545 -14.133 -0.442 1.00 0.00 C ATOM 784 O GLN A 54 -7.255 -14.921 -1.080 1.00 0.00 O ATOM 785 CB GLN A 54 -6.347 -14.276 2.112 1.00 0.00 C ATOM 786 CG GLN A 54 -6.293 -15.808 2.053 1.00 0.00 C ATOM 787 CD GLN A 54 -5.869 -16.354 3.408 1.00 0.00 C ATOM 788 OE1 GLN A 54 -4.696 -16.486 3.733 1.00 0.00 O ATOM 789 NE2 GLN A 54 -6.807 -16.610 4.298 1.00 0.00 N ATOM 0 H GLN A 54 -8.842 -14.595 0.467 1.00 0.00 H new ATOM 0 HA GLN A 54 -6.818 -12.540 0.935 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -5.329 -13.893 2.178 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -6.859 -13.980 3.027 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -7.270 -16.206 1.778 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -5.590 -16.128 1.284 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -7.790 -16.506 4.047 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -6.550 -16.912 5.238 1.00 0.00 H new ATOM 798 N PRO A 55 -5.347 -13.738 -0.905 1.00 0.00 N ATOM 799 CA PRO A 55 -4.812 -14.166 -2.195 1.00 0.00 C ATOM 800 C PRO A 55 -4.473 -15.666 -2.246 1.00 0.00 C ATOM 801 O PRO A 55 -4.479 -16.344 -1.216 1.00 0.00 O ATOM 802 CB PRO A 55 -3.550 -13.327 -2.424 1.00 0.00 C ATOM 803 CG PRO A 55 -3.169 -12.793 -1.054 1.00 0.00 C ATOM 804 CD PRO A 55 -4.477 -12.757 -0.279 1.00 0.00 C ATOM 0 HA PRO A 55 -5.563 -14.017 -2.971 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -2.748 -13.931 -2.848 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -3.740 -12.514 -3.124 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -2.437 -13.437 -0.567 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -2.723 -11.801 -1.125 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -4.313 -12.996 0.772 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -4.923 -11.763 -0.314 1.00 0.00 H new ATOM 812 N PRO A 56 -4.128 -16.189 -3.438 1.00 0.00 N ATOM 813 CA PRO A 56 -3.532 -17.515 -3.554 1.00 0.00 C ATOM 814 C PRO A 56 -2.123 -17.577 -2.923 1.00 0.00 C ATOM 815 O PRO A 56 -1.395 -16.573 -2.958 1.00 0.00 O ATOM 816 CB PRO A 56 -3.468 -17.792 -5.064 1.00 0.00 C ATOM 817 CG PRO A 56 -3.498 -16.410 -5.710 1.00 0.00 C ATOM 818 CD PRO A 56 -4.312 -15.567 -4.744 1.00 0.00 C ATOM 0 HA PRO A 56 -4.121 -18.260 -3.019 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -2.560 -18.334 -5.330 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -4.311 -18.401 -5.391 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -2.493 -16.009 -5.840 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -3.959 -16.441 -6.697 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.968 -14.533 -4.739 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -5.365 -15.551 -5.027 1.00 0.00 H new ATOM 826 N PRO A 57 -1.687 -18.774 -2.479 1.00 0.00 N ATOM 827 CA PRO A 57 -0.333 -19.028 -1.994 1.00 0.00 C ATOM 828 C PRO A 57 0.674 -19.014 -3.148 1.00 0.00 C ATOM 829 O PRO A 57 0.288 -18.996 -4.317 1.00 0.00 O ATOM 830 CB PRO A 57 -0.387 -20.411 -1.339 1.00 0.00 C ATOM 831 CG PRO A 57 -1.499 -21.124 -2.102 1.00 0.00 C ATOM 832 CD PRO A 57 -2.479 -19.997 -2.411 1.00 0.00 C ATOM 0 HA PRO A 57 -0.008 -18.260 -1.292 1.00 0.00 H new ATOM 0 HB2 PRO A 57 0.564 -20.936 -1.432 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.611 -20.342 -0.274 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.126 -21.596 -3.011 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -1.961 -21.908 -1.503 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -2.996 -20.179 -3.353 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -3.243 -19.923 -1.637 1.00 0.00 H new ATOM 840 N ASN A 58 1.976 -19.030 -2.830 1.00 0.00 N ATOM 841 CA ASN A 58 3.121 -18.949 -3.760 1.00 0.00 C ATOM 842 C ASN A 58 2.986 -17.844 -4.818 1.00 0.00 C ATOM 843 O ASN A 58 3.652 -17.850 -5.856 1.00 0.00 O ATOM 844 CB ASN A 58 3.468 -20.329 -4.352 1.00 0.00 C ATOM 845 CG ASN A 58 4.135 -21.280 -3.362 1.00 0.00 C ATOM 846 OD1 ASN A 58 4.695 -20.882 -2.342 1.00 0.00 O ATOM 847 ND2 ASN A 58 4.115 -22.567 -3.643 1.00 0.00 N ATOM 0 H ASN A 58 2.281 -19.104 -1.859 1.00 0.00 H new ATOM 0 HA ASN A 58 3.979 -18.639 -3.163 1.00 0.00 H new ATOM 0 HB2 ASN A 58 2.555 -20.792 -4.726 1.00 0.00 H new ATOM 0 HB3 ASN A 58 4.129 -20.190 -5.208 1.00 0.00 H new ATOM 0 HD21 ASN A 58 4.564 -23.233 -3.015 1.00 0.00 H new ATOM 0 HD22 ASN A 58 3.651 -22.897 -4.489 1.00 0.00 H new ATOM 854 N THR A 59 2.136 -16.857 -4.559 1.00 0.00 N ATOM 855 CA THR A 59 1.800 -15.775 -5.464 1.00 0.00 C ATOM 856 C THR A 59 2.266 -14.489 -4.789 1.00 0.00 C ATOM 857 O THR A 59 3.154 -13.823 -5.333 1.00 0.00 O ATOM 858 CB THR A 59 0.310 -15.877 -5.838 1.00 0.00 C ATOM 859 OG1 THR A 59 -0.020 -17.195 -6.257 1.00 0.00 O ATOM 860 CG2 THR A 59 -0.032 -15.003 -7.024 1.00 0.00 C ATOM 0 H THR A 59 1.642 -16.790 -3.669 1.00 0.00 H new ATOM 0 HA THR A 59 2.305 -15.811 -6.429 1.00 0.00 H new ATOM 0 HB THR A 59 -0.235 -15.574 -4.944 1.00 0.00 H new ATOM 0 HG1 THR A 59 -0.028 -17.793 -5.480 1.00 0.00 H new ATOM 0 HG21 THR A 59 -1.092 -15.103 -7.256 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.190 -13.963 -6.786 1.00 0.00 H new ATOM 0 HG23 THR A 59 0.559 -15.312 -7.886 1.00 0.00 H new ATOM 868 N LEU A 60 1.783 -14.203 -3.569 1.00 0.00 N ATOM 869 CA LEU A 60 2.348 -13.128 -2.758 1.00 0.00 C ATOM 870 C LEU A 60 3.808 -13.468 -2.502 1.00 0.00 C ATOM 871 O LEU A 60 4.087 -14.540 -1.967 1.00 0.00 O ATOM 872 CB LEU A 60 1.633 -12.971 -1.401 1.00 0.00 C ATOM 873 CG LEU A 60 0.595 -11.843 -1.362 1.00 0.00 C ATOM 874 CD1 LEU A 60 -0.060 -11.788 0.015 1.00 0.00 C ATOM 875 CD2 LEU A 60 1.177 -10.456 -1.668 1.00 0.00 C ATOM 0 H LEU A 60 1.008 -14.701 -3.131 1.00 0.00 H new ATOM 0 HA LEU A 60 2.228 -12.189 -3.298 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.141 -13.911 -1.152 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.380 -12.788 -0.629 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.128 -12.078 -2.143 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.796 -10.985 0.036 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.553 -12.738 0.221 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.701 -11.602 0.773 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.383 -9.710 -1.622 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.946 -10.214 -0.934 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.616 -10.458 -2.666 1.00 0.00 H new ATOM 887 N SER A 61 4.732 -12.595 -2.896 1.00 0.00 N ATOM 888 CA SER A 61 6.163 -12.826 -2.704 1.00 0.00 C ATOM 889 C SER A 61 6.830 -11.596 -2.072 1.00 0.00 C ATOM 890 O SER A 61 6.305 -10.490 -2.179 1.00 0.00 O ATOM 891 CB SER A 61 6.793 -13.183 -4.052 1.00 0.00 C ATOM 892 OG SER A 61 5.993 -14.081 -4.824 1.00 0.00 O ATOM 0 H SER A 61 4.512 -11.711 -3.355 1.00 0.00 H new ATOM 0 HA SER A 61 6.315 -13.658 -2.016 1.00 0.00 H new ATOM 0 HB2 SER A 61 6.957 -12.269 -4.623 1.00 0.00 H new ATOM 0 HB3 SER A 61 7.771 -13.632 -3.882 1.00 0.00 H new ATOM 0 HG SER A 61 5.108 -13.686 -4.972 1.00 0.00 H new ATOM 898 N GLU A 62 8.008 -11.750 -1.459 1.00 0.00 N ATOM 899 CA GLU A 62 8.608 -10.734 -0.570 1.00 0.00 C ATOM 900 C GLU A 62 9.066 -9.462 -1.289 1.00 0.00 C ATOM 901 O GLU A 62 9.376 -8.448 -0.672 1.00 0.00 O ATOM 902 CB GLU A 62 9.841 -11.267 0.175 1.00 0.00 C ATOM 903 CG GLU A 62 9.666 -12.544 0.992 1.00 0.00 C ATOM 904 CD GLU A 62 10.801 -12.654 2.019 1.00 0.00 C ATOM 905 OE1 GLU A 62 11.985 -12.524 1.628 1.00 0.00 O ATOM 906 OE2 GLU A 62 10.494 -12.823 3.220 1.00 0.00 O ATOM 0 H GLU A 62 8.581 -12.587 -1.563 1.00 0.00 H new ATOM 0 HA GLU A 62 7.795 -10.495 0.115 1.00 0.00 H new ATOM 0 HB2 GLU A 62 10.629 -11.440 -0.558 1.00 0.00 H new ATOM 0 HB3 GLU A 62 10.195 -10.484 0.845 1.00 0.00 H new ATOM 0 HG2 GLU A 62 8.702 -12.534 1.500 1.00 0.00 H new ATOM 0 HG3 GLU A 62 9.671 -13.413 0.334 1.00 0.00 H new ATOM 913 N GLY A 63 9.130 -9.525 -2.607 1.00 0.00 N ATOM 914 CA GLY A 63 9.541 -8.466 -3.503 1.00 0.00 C ATOM 915 C GLY A 63 8.510 -8.358 -4.606 1.00 0.00 C ATOM 916 O GLY A 63 8.869 -8.080 -5.752 1.00 0.00 O ATOM 0 H GLY A 63 8.879 -10.376 -3.110 1.00 0.00 H new ATOM 0 HA2 GLY A 63 9.623 -7.522 -2.964 1.00 0.00 H new ATOM 0 HA3 GLY A 63 10.525 -8.681 -3.921 1.00 0.00 H new ATOM 920 N ALA A 64 7.243 -8.671 -4.311 1.00 0.00 N ATOM 921 CA ALA A 64 6.170 -8.379 -5.236 1.00 0.00 C ATOM 922 C ALA A 64 6.155 -6.876 -5.457 1.00 0.00 C ATOM 923 O ALA A 64 6.439 -6.123 -4.519 1.00 0.00 O ATOM 924 CB ALA A 64 4.834 -8.916 -4.708 1.00 0.00 C ATOM 0 H ALA A 64 6.949 -9.122 -3.445 1.00 0.00 H new ATOM 0 HA ALA A 64 6.329 -8.878 -6.192 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.042 -8.685 -5.420 1.00 0.00 H new ATOM 0 HB2 ALA A 64 4.902 -9.996 -4.579 1.00 0.00 H new ATOM 0 HB3 ALA A 64 4.608 -8.449 -3.749 1.00 0.00 H new ATOM 930 N GLU A 65 5.903 -6.443 -6.691 1.00 0.00 N ATOM 931 CA GLU A 65 5.684 -5.048 -6.955 1.00 0.00 C ATOM 932 C GLU A 65 4.228 -4.776 -6.623 1.00 0.00 C ATOM 933 O GLU A 65 3.327 -5.565 -6.936 1.00 0.00 O ATOM 934 CB GLU A 65 6.065 -4.647 -8.382 1.00 0.00 C ATOM 935 CG GLU A 65 5.272 -5.340 -9.496 1.00 0.00 C ATOM 936 CD GLU A 65 4.669 -4.328 -10.476 1.00 0.00 C ATOM 937 OE1 GLU A 65 5.379 -3.915 -11.413 1.00 0.00 O ATOM 938 OE2 GLU A 65 3.497 -3.910 -10.312 1.00 0.00 O ATOM 0 H GLU A 65 5.848 -7.046 -7.512 1.00 0.00 H new ATOM 0 HA GLU A 65 6.335 -4.430 -6.337 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.936 -3.569 -8.485 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.124 -4.857 -8.529 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.926 -6.025 -10.036 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.475 -5.940 -9.056 1.00 0.00 H new ATOM 945 N VAL A 66 4.028 -3.686 -5.905 1.00 0.00 N ATOM 946 CA VAL A 66 2.752 -3.366 -5.306 1.00 0.00 C ATOM 947 C VAL A 66 2.476 -1.885 -5.455 1.00 0.00 C ATOM 948 O VAL A 66 3.395 -1.075 -5.607 1.00 0.00 O ATOM 949 CB VAL A 66 2.727 -3.823 -3.836 1.00 0.00 C ATOM 950 CG1 VAL A 66 2.768 -5.353 -3.764 1.00 0.00 C ATOM 951 CG2 VAL A 66 3.866 -3.257 -2.992 1.00 0.00 C ATOM 0 H VAL A 66 4.755 -2.994 -5.722 1.00 0.00 H new ATOM 0 HA VAL A 66 1.955 -3.902 -5.821 1.00 0.00 H new ATOM 0 HB VAL A 66 1.798 -3.434 -3.418 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.750 -5.669 -2.721 1.00 0.00 H new ATOM 0 HG12 VAL A 66 1.902 -5.765 -4.283 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.681 -5.715 -4.237 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.779 -3.625 -1.970 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.821 -3.573 -3.411 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.812 -2.168 -2.992 1.00 0.00 H new ATOM 961 N SER A 67 1.205 -1.529 -5.380 1.00 0.00 N ATOM 962 CA SER A 67 0.732 -0.177 -5.530 1.00 0.00 C ATOM 963 C SER A 67 -0.285 0.075 -4.425 1.00 0.00 C ATOM 964 O SER A 67 -1.390 -0.480 -4.443 1.00 0.00 O ATOM 965 CB SER A 67 0.201 0.055 -6.953 1.00 0.00 C ATOM 966 OG SER A 67 0.252 -1.092 -7.793 1.00 0.00 O ATOM 0 H SER A 67 0.456 -2.199 -5.207 1.00 0.00 H new ATOM 0 HA SER A 67 1.534 0.552 -5.417 1.00 0.00 H new ATOM 0 HB2 SER A 67 -0.831 0.399 -6.891 1.00 0.00 H new ATOM 0 HB3 SER A 67 0.777 0.856 -7.417 1.00 0.00 H new ATOM 0 HG SER A 67 -0.103 -0.866 -8.678 1.00 0.00 H new ATOM 972 N VAL A 68 0.111 0.877 -3.441 1.00 0.00 N ATOM 973 CA VAL A 68 -0.816 1.488 -2.509 1.00 0.00 C ATOM 974 C VAL A 68 -1.659 2.513 -3.250 1.00 0.00 C ATOM 975 O VAL A 68 -1.188 3.191 -4.166 1.00 0.00 O ATOM 976 CB VAL A 68 -0.087 2.130 -1.300 1.00 0.00 C ATOM 977 CG1 VAL A 68 -0.073 1.155 -0.125 1.00 0.00 C ATOM 978 CG2 VAL A 68 1.364 2.576 -1.589 1.00 0.00 C ATOM 0 H VAL A 68 1.087 1.119 -3.272 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.462 0.711 -2.100 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.652 3.033 -1.067 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.440 1.612 0.721 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.097 0.913 0.160 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.448 0.243 -0.416 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.796 3.013 -0.689 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.956 1.713 -1.894 1.00 0.00 H new ATOM 0 HG23 VAL A 68 1.365 3.317 -2.389 1.00 0.00 H new ATOM 988 N SER A 69 -2.891 2.681 -2.790 1.00 0.00 N ATOM 989 CA SER A 69 -3.653 3.884 -2.987 1.00 0.00 C ATOM 990 C SER A 69 -4.494 4.073 -1.740 1.00 0.00 C ATOM 991 O SER A 69 -4.930 3.100 -1.118 1.00 0.00 O ATOM 992 CB SER A 69 -4.433 3.832 -4.314 1.00 0.00 C ATOM 993 OG SER A 69 -5.676 3.163 -4.234 1.00 0.00 O ATOM 0 H SER A 69 -3.389 1.965 -2.261 1.00 0.00 H new ATOM 0 HA SER A 69 -3.024 4.767 -3.103 1.00 0.00 H new ATOM 0 HB2 SER A 69 -4.604 4.851 -4.661 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.816 3.339 -5.065 1.00 0.00 H new ATOM 0 HG SER A 69 -6.110 3.173 -5.113 1.00 0.00 H new ATOM 999 N VAL A 70 -4.710 5.306 -1.326 1.00 0.00 N ATOM 1000 CA VAL A 70 -5.712 5.611 -0.339 1.00 0.00 C ATOM 1001 C VAL A 70 -6.330 6.915 -0.817 1.00 0.00 C ATOM 1002 O VAL A 70 -5.777 7.673 -1.618 1.00 0.00 O ATOM 1003 CB VAL A 70 -5.113 5.761 1.076 1.00 0.00 C ATOM 1004 CG1 VAL A 70 -6.117 5.456 2.180 1.00 0.00 C ATOM 1005 CG2 VAL A 70 -3.669 5.381 1.331 1.00 0.00 C ATOM 0 H VAL A 70 -4.195 6.118 -1.666 1.00 0.00 H new ATOM 0 HA VAL A 70 -6.444 4.808 -0.249 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.929 6.834 1.122 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -5.638 5.578 3.151 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -6.962 6.141 2.103 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.471 4.430 2.077 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.427 5.554 2.380 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -3.523 4.327 1.094 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.017 5.988 0.703 1.00 0.00 H new ATOM 1015 N TRP A 71 -7.482 7.181 -0.256 1.00 0.00 N ATOM 1016 CA TRP A 71 -8.071 8.481 -0.227 1.00 0.00 C ATOM 1017 C TRP A 71 -7.965 8.944 1.204 1.00 0.00 C ATOM 1018 O TRP A 71 -8.946 8.879 1.949 1.00 0.00 O ATOM 1019 CB TRP A 71 -9.491 8.359 -0.755 1.00 0.00 C ATOM 1020 CG TRP A 71 -9.544 8.081 -2.225 1.00 0.00 C ATOM 1021 CD1 TRP A 71 -9.639 6.868 -2.815 1.00 0.00 C ATOM 1022 CD2 TRP A 71 -9.470 9.040 -3.315 1.00 0.00 C ATOM 1023 NE1 TRP A 71 -9.852 7.041 -4.168 1.00 0.00 N ATOM 1024 CE2 TRP A 71 -9.788 8.375 -4.527 1.00 0.00 C ATOM 1025 CE3 TRP A 71 -9.144 10.405 -3.389 1.00 0.00 C ATOM 1026 CZ2 TRP A 71 -9.940 9.076 -5.734 1.00 0.00 C ATOM 1027 CZ3 TRP A 71 -9.281 11.126 -4.589 1.00 0.00 C ATOM 1028 CH2 TRP A 71 -9.725 10.467 -5.748 1.00 0.00 C ATOM 0 H TRP A 71 -8.049 6.470 0.206 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.581 9.223 -0.858 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -10.005 7.560 -0.220 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -10.032 9.282 -0.545 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -9.561 5.917 -2.309 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -10.034 6.279 -4.822 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -8.781 10.911 -2.507 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -10.218 8.555 -6.639 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -9.046 12.180 -4.619 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -9.902 11.030 -6.653 1.00 0.00 H new ATOM 1039 N THR A 72 -6.765 9.324 1.628 1.00 0.00 N ATOM 1040 CA THR A 72 -6.673 10.059 2.888 1.00 0.00 C ATOM 1041 C THR A 72 -6.978 11.534 2.567 1.00 0.00 C ATOM 1042 O THR A 72 -6.890 11.903 1.397 1.00 0.00 O ATOM 1043 CB THR A 72 -5.325 9.886 3.607 1.00 0.00 C ATOM 1044 OG1 THR A 72 -5.530 10.307 4.938 1.00 0.00 O ATOM 1045 CG2 THR A 72 -4.151 10.673 3.029 1.00 0.00 C ATOM 0 H THR A 72 -5.882 9.148 1.148 1.00 0.00 H new ATOM 0 HA THR A 72 -7.397 9.657 3.597 1.00 0.00 H new ATOM 0 HB THR A 72 -5.039 8.840 3.497 1.00 0.00 H new ATOM 0 HG1 THR A 72 -5.842 9.550 5.476 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.255 10.473 3.616 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.983 10.370 1.996 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.376 11.739 3.062 1.00 0.00 H new ATOM 1053 N GLY A 73 -7.235 12.395 3.562 1.00 0.00 N ATOM 1054 CA GLY A 73 -7.056 13.851 3.480 1.00 0.00 C ATOM 1055 C GLY A 73 -7.680 14.549 2.272 1.00 0.00 C ATOM 1056 O GLY A 73 -7.178 15.597 1.875 1.00 0.00 O ATOM 0 H GLY A 73 -7.583 12.089 4.471 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -7.471 14.297 4.384 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -5.987 14.064 3.482 1.00 0.00 H new ATOM 1060 N GLY A 74 -8.713 13.977 1.653 1.00 0.00 N ATOM 1061 CA GLY A 74 -9.257 14.471 0.396 1.00 0.00 C ATOM 1062 C GLY A 74 -8.269 14.445 -0.777 1.00 0.00 C ATOM 1063 O GLY A 74 -8.424 15.257 -1.684 1.00 0.00 O ATOM 0 H GLY A 74 -9.195 13.154 2.014 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -10.130 13.874 0.133 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -9.603 15.495 0.541 1.00 0.00 H new ATOM 1067 N ALA A 75 -7.278 13.545 -0.844 1.00 0.00 N ATOM 1068 CA ALA A 75 -6.483 13.362 -2.058 1.00 0.00 C ATOM 1069 C ALA A 75 -6.110 11.904 -2.299 1.00 0.00 C ATOM 1070 O ALA A 75 -6.073 11.082 -1.384 1.00 0.00 O ATOM 1071 CB ALA A 75 -5.241 14.255 -2.042 1.00 0.00 C ATOM 0 H ALA A 75 -7.011 12.935 -0.071 1.00 0.00 H new ATOM 0 HA ALA A 75 -7.112 13.666 -2.895 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.669 14.098 -2.956 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.545 15.300 -1.979 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.623 14.004 -1.180 1.00 0.00 H new ATOM 1077 N LEU A 76 -5.862 11.579 -3.569 1.00 0.00 N ATOM 1078 CA LEU A 76 -5.538 10.234 -4.007 1.00 0.00 C ATOM 1079 C LEU A 76 -4.040 10.050 -3.898 1.00 0.00 C ATOM 1080 O LEU A 76 -3.271 10.457 -4.772 1.00 0.00 O ATOM 1081 CB LEU A 76 -6.015 9.954 -5.439 1.00 0.00 C ATOM 1082 CG LEU A 76 -6.217 8.455 -5.742 1.00 0.00 C ATOM 1083 CD1 LEU A 76 -5.737 8.095 -7.152 1.00 0.00 C ATOM 1084 CD2 LEU A 76 -5.775 7.399 -4.736 1.00 0.00 C ATOM 0 H LEU A 76 -5.883 12.259 -4.329 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.059 9.522 -3.368 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.954 10.480 -5.609 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.289 10.363 -6.141 1.00 0.00 H new ATOM 0 HG LEU A 76 -7.301 8.390 -5.648 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.895 7.031 -7.330 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.298 8.673 -7.886 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.675 8.324 -7.245 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.000 6.407 -5.127 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.702 7.487 -4.564 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.306 7.547 -3.796 1.00 0.00 H new ATOM 1096 N CYS A 77 -3.638 9.422 -2.812 1.00 0.00 N ATOM 1097 CA CYS A 77 -2.280 9.070 -2.480 1.00 0.00 C ATOM 1098 C CYS A 77 -2.007 7.676 -3.011 1.00 0.00 C ATOM 1099 O CYS A 77 -1.931 6.700 -2.270 1.00 0.00 O ATOM 1100 CB CYS A 77 -2.081 9.271 -0.979 1.00 0.00 C ATOM 1101 SG CYS A 77 -3.459 8.663 -0.004 1.00 0.00 S ATOM 0 H CYS A 77 -4.298 9.126 -2.093 1.00 0.00 H new ATOM 0 HA CYS A 77 -1.536 9.710 -2.954 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -1.169 8.762 -0.667 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -1.939 10.332 -0.775 1.00 0.00 H new ATOM 0 HG CYS A 77 -4.261 7.979 -0.765 1.00 0.00 H new ATOM 1107 N ARG A 78 -1.934 7.582 -4.337 1.00 0.00 N ATOM 1108 CA ARG A 78 -1.499 6.373 -5.019 1.00 0.00 C ATOM 1109 C ARG A 78 0.016 6.437 -5.080 1.00 0.00 C ATOM 1110 O ARG A 78 0.569 7.481 -5.442 1.00 0.00 O ATOM 1111 CB ARG A 78 -2.176 6.290 -6.390 1.00 0.00 C ATOM 1112 CG ARG A 78 -1.885 4.981 -7.157 1.00 0.00 C ATOM 1113 CD ARG A 78 -0.594 4.954 -7.994 1.00 0.00 C ATOM 1114 NE ARG A 78 -0.370 3.612 -8.563 1.00 0.00 N ATOM 1115 CZ ARG A 78 0.151 3.325 -9.765 1.00 0.00 C ATOM 1116 NH1 ARG A 78 0.653 4.271 -10.549 1.00 0.00 N ATOM 1117 NH2 ARG A 78 0.160 2.079 -10.221 1.00 0.00 N ATOM 0 H ARG A 78 -2.176 8.346 -4.967 1.00 0.00 H new ATOM 0 HA ARG A 78 -1.786 5.459 -4.498 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.253 6.390 -6.258 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -1.849 7.135 -6.997 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -1.843 4.164 -6.436 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -2.727 4.778 -7.819 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -0.660 5.689 -8.797 1.00 0.00 H new ATOM 0 HD3 ARG A 78 0.255 5.237 -7.372 1.00 0.00 H new ATOM 0 HE ARG A 78 -0.640 2.819 -7.981 1.00 0.00 H new ATOM 0 HH11 ARG A 78 0.649 5.244 -10.242 1.00 0.00 H new ATOM 0 HH12 ARG A 78 1.043 4.025 -11.459 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -0.232 1.326 -9.656 1.00 0.00 H new ATOM 0 HH22 ARG A 78 0.559 1.874 -11.137 1.00 0.00 H new ATOM 1131 N CYS A 79 0.687 5.347 -4.723 1.00 0.00 N ATOM 1132 CA CYS A 79 2.129 5.239 -4.818 1.00 0.00 C ATOM 1133 C CYS A 79 2.513 3.793 -5.090 1.00 0.00 C ATOM 1134 O CYS A 79 1.695 2.883 -4.951 1.00 0.00 O ATOM 1135 CB CYS A 79 2.762 5.797 -3.540 1.00 0.00 C ATOM 1136 SG CYS A 79 4.429 6.408 -3.906 1.00 0.00 S ATOM 0 H CYS A 79 0.236 4.509 -4.357 1.00 0.00 H new ATOM 0 HA CYS A 79 2.509 5.830 -5.651 1.00 0.00 H new ATOM 0 HB2 CYS A 79 2.148 6.603 -3.140 1.00 0.00 H new ATOM 0 HB3 CYS A 79 2.807 5.021 -2.776 1.00 0.00 H new ATOM 0 HG CYS A 79 5.295 5.462 -3.692 1.00 0.00 H new ATOM 1142 N ASP A 80 3.770 3.578 -5.448 1.00 0.00 N ATOM 1143 CA ASP A 80 4.288 2.292 -5.885 1.00 0.00 C ATOM 1144 C ASP A 80 5.324 1.846 -4.853 1.00 0.00 C ATOM 1145 O ASP A 80 6.015 2.680 -4.266 1.00 0.00 O ATOM 1146 CB ASP A 80 4.882 2.442 -7.290 1.00 0.00 C ATOM 1147 CG ASP A 80 3.836 2.772 -8.363 1.00 0.00 C ATOM 1148 OD1 ASP A 80 2.883 1.981 -8.534 1.00 0.00 O ATOM 1149 OD2 ASP A 80 4.048 3.733 -9.150 1.00 0.00 O ATOM 0 H ASP A 80 4.476 4.314 -5.442 1.00 0.00 H new ATOM 0 HA ASP A 80 3.509 1.533 -5.950 1.00 0.00 H new ATOM 0 HB2 ASP A 80 5.637 3.228 -7.275 1.00 0.00 H new ATOM 0 HB3 ASP A 80 5.391 1.517 -7.562 1.00 0.00 H new ATOM 1154 N GLY A 81 5.404 0.551 -4.563 1.00 0.00 N ATOM 1155 CA GLY A 81 6.164 -0.042 -3.472 1.00 0.00 C ATOM 1156 C GLY A 81 6.649 -1.446 -3.833 1.00 0.00 C ATOM 1157 O GLY A 81 6.418 -1.921 -4.954 1.00 0.00 O ATOM 0 H GLY A 81 4.912 -0.151 -5.116 1.00 0.00 H new ATOM 0 HA2 GLY A 81 7.019 0.591 -3.235 1.00 0.00 H new ATOM 0 HA3 GLY A 81 5.544 -0.088 -2.577 1.00 0.00 H new ATOM 1161 N ARG A 82 7.301 -2.127 -2.883 1.00 0.00 N ATOM 1162 CA ARG A 82 7.497 -3.584 -2.893 1.00 0.00 C ATOM 1163 C ARG A 82 7.039 -4.137 -1.548 1.00 0.00 C ATOM 1164 O ARG A 82 6.880 -3.352 -0.616 1.00 0.00 O ATOM 1165 CB ARG A 82 8.952 -4.024 -3.130 1.00 0.00 C ATOM 1166 CG ARG A 82 9.684 -3.360 -4.299 1.00 0.00 C ATOM 1167 CD ARG A 82 9.068 -3.790 -5.624 1.00 0.00 C ATOM 1168 NE ARG A 82 9.983 -3.546 -6.740 1.00 0.00 N ATOM 1169 CZ ARG A 82 9.762 -2.798 -7.819 1.00 0.00 C ATOM 1170 NH1 ARG A 82 8.612 -2.141 -7.977 1.00 0.00 N ATOM 1171 NH2 ARG A 82 10.729 -2.713 -8.721 1.00 0.00 N ATOM 0 H ARG A 82 7.716 -1.673 -2.069 1.00 0.00 H new ATOM 0 HA ARG A 82 6.915 -3.973 -3.728 1.00 0.00 H new ATOM 0 HB2 ARG A 82 9.519 -3.832 -2.219 1.00 0.00 H new ATOM 0 HB3 ARG A 82 8.961 -5.102 -3.290 1.00 0.00 H new ATOM 0 HG2 ARG A 82 9.631 -2.276 -4.201 1.00 0.00 H new ATOM 0 HG3 ARG A 82 10.740 -3.631 -4.276 1.00 0.00 H new ATOM 0 HD2 ARG A 82 8.815 -4.850 -5.583 1.00 0.00 H new ATOM 0 HD3 ARG A 82 8.138 -3.247 -5.788 1.00 0.00 H new ATOM 0 HE ARG A 82 10.894 -4.001 -6.685 1.00 0.00 H new ATOM 0 HH11 ARG A 82 7.885 -2.207 -7.265 1.00 0.00 H new ATOM 0 HH12 ARG A 82 8.460 -1.572 -8.810 1.00 0.00 H new ATOM 0 HH21 ARG A 82 11.607 -3.212 -8.576 1.00 0.00 H new ATOM 0 HH22 ARG A 82 10.595 -2.149 -9.560 1.00 0.00 H new ATOM 1185 N VAL A 83 6.889 -5.455 -1.426 1.00 0.00 N ATOM 1186 CA VAL A 83 6.483 -6.099 -0.169 1.00 0.00 C ATOM 1187 C VAL A 83 7.485 -5.908 0.989 1.00 0.00 C ATOM 1188 O VAL A 83 7.064 -5.820 2.133 1.00 0.00 O ATOM 1189 CB VAL A 83 6.148 -7.572 -0.472 1.00 0.00 C ATOM 1190 CG1 VAL A 83 6.074 -8.471 0.763 1.00 0.00 C ATOM 1191 CG2 VAL A 83 4.793 -7.664 -1.187 1.00 0.00 C ATOM 0 H VAL A 83 7.044 -6.110 -2.193 1.00 0.00 H new ATOM 0 HA VAL A 83 5.590 -5.602 0.211 1.00 0.00 H new ATOM 0 HB VAL A 83 6.971 -7.927 -1.092 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.834 -9.489 0.458 1.00 0.00 H new ATOM 0 HG12 VAL A 83 7.035 -8.463 1.277 1.00 0.00 H new ATOM 0 HG13 VAL A 83 5.300 -8.102 1.436 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.563 -8.708 -1.398 1.00 0.00 H new ATOM 0 HG22 VAL A 83 4.016 -7.243 -0.549 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.837 -7.106 -2.122 1.00 0.00 H new ATOM 1201 N GLU A 84 8.787 -5.795 0.732 1.00 0.00 N ATOM 1202 CA GLU A 84 9.884 -5.625 1.706 1.00 0.00 C ATOM 1203 C GLU A 84 10.114 -6.877 2.569 1.00 0.00 C ATOM 1204 O GLU A 84 11.226 -7.406 2.591 1.00 0.00 O ATOM 1205 CB GLU A 84 9.652 -4.360 2.558 1.00 0.00 C ATOM 1206 CG GLU A 84 10.901 -3.572 2.996 1.00 0.00 C ATOM 1207 CD GLU A 84 11.603 -3.958 4.308 1.00 0.00 C ATOM 1208 OE1 GLU A 84 10.952 -4.434 5.260 1.00 0.00 O ATOM 1209 OE2 GLU A 84 12.801 -3.611 4.449 1.00 0.00 O ATOM 0 H GLU A 84 9.136 -5.821 -0.226 1.00 0.00 H new ATOM 0 HA GLU A 84 10.807 -5.489 1.143 1.00 0.00 H new ATOM 0 HB2 GLU A 84 9.007 -3.686 1.995 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.104 -4.651 3.454 1.00 0.00 H new ATOM 0 HG2 GLU A 84 11.636 -3.648 2.195 1.00 0.00 H new ATOM 0 HG3 GLU A 84 10.618 -2.522 3.071 1.00 0.00 H new ATOM 1216 N THR A 85 9.082 -7.362 3.258 1.00 0.00 N ATOM 1217 CA THR A 85 9.057 -8.570 4.068 1.00 0.00 C ATOM 1218 C THR A 85 7.625 -9.095 4.012 1.00 0.00 C ATOM 1219 O THR A 85 6.696 -8.408 4.445 1.00 0.00 O ATOM 1220 CB THR A 85 9.461 -8.231 5.519 1.00 0.00 C ATOM 1221 OG1 THR A 85 10.744 -7.645 5.615 1.00 0.00 O ATOM 1222 CG2 THR A 85 9.465 -9.459 6.427 1.00 0.00 C ATOM 0 H THR A 85 8.181 -6.885 3.262 1.00 0.00 H new ATOM 0 HA THR A 85 9.757 -9.320 3.700 1.00 0.00 H new ATOM 0 HB THR A 85 8.703 -7.519 5.843 1.00 0.00 H new ATOM 0 HG1 THR A 85 10.669 -6.674 5.505 1.00 0.00 H new ATOM 0 HG21 THR A 85 9.756 -9.165 7.435 1.00 0.00 H new ATOM 0 HG22 THR A 85 8.467 -9.897 6.450 1.00 0.00 H new ATOM 0 HG23 THR A 85 10.175 -10.192 6.044 1.00 0.00 H new ATOM 1230 N LEU A 86 7.426 -10.301 3.474 1.00 0.00 N ATOM 1231 CA LEU A 86 6.153 -10.987 3.654 1.00 0.00 C ATOM 1232 C LEU A 86 6.183 -11.693 5.014 1.00 0.00 C ATOM 1233 O LEU A 86 7.262 -11.961 5.550 1.00 0.00 O ATOM 1234 CB LEU A 86 5.900 -11.965 2.493 1.00 0.00 C ATOM 1235 CG LEU A 86 4.395 -12.265 2.293 1.00 0.00 C ATOM 1236 CD1 LEU A 86 3.757 -11.177 1.424 1.00 0.00 C ATOM 1237 CD2 LEU A 86 4.128 -13.607 1.610 1.00 0.00 C ATOM 0 H LEU A 86 8.116 -10.810 2.922 1.00 0.00 H new ATOM 0 HA LEU A 86 5.326 -10.277 3.643 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.310 -11.547 1.573 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.431 -12.897 2.684 1.00 0.00 H new ATOM 0 HG LEU A 86 3.964 -12.295 3.294 1.00 0.00 H new ATOM 0 HD11 LEU A 86 2.698 -11.395 1.288 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.868 -10.209 1.913 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.250 -11.152 0.452 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.053 -13.753 1.502 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.596 -13.614 0.626 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.544 -14.412 2.215 1.00 0.00 H new ATOM 1249 N ARG A 87 5.025 -12.047 5.572 1.00 0.00 N ATOM 1250 CA ARG A 87 4.951 -12.941 6.724 1.00 0.00 C ATOM 1251 C ARG A 87 3.939 -14.035 6.465 1.00 0.00 C ATOM 1252 O ARG A 87 4.250 -15.193 6.712 1.00 0.00 O ATOM 1253 CB ARG A 87 4.622 -12.156 7.998 1.00 0.00 C ATOM 1254 CG ARG A 87 4.587 -13.052 9.238 1.00 0.00 C ATOM 1255 CD ARG A 87 4.056 -12.270 10.444 1.00 0.00 C ATOM 1256 NE ARG A 87 4.893 -12.525 11.621 1.00 0.00 N ATOM 1257 CZ ARG A 87 5.807 -11.701 12.142 1.00 0.00 C ATOM 1258 NH1 ARG A 87 5.967 -10.455 11.707 1.00 0.00 N ATOM 1259 NH2 ARG A 87 6.541 -12.130 13.155 1.00 0.00 N ATOM 0 H ARG A 87 4.117 -11.723 5.239 1.00 0.00 H new ATOM 0 HA ARG A 87 5.924 -13.410 6.874 1.00 0.00 H new ATOM 0 HB2 ARG A 87 5.364 -11.371 8.140 1.00 0.00 H new ATOM 0 HB3 ARG A 87 3.656 -11.664 7.880 1.00 0.00 H new ATOM 0 HG2 ARG A 87 3.954 -13.919 9.051 1.00 0.00 H new ATOM 0 HG3 ARG A 87 5.587 -13.428 9.452 1.00 0.00 H new ATOM 0 HD2 ARG A 87 4.047 -11.203 10.220 1.00 0.00 H new ATOM 0 HD3 ARG A 87 3.026 -12.561 10.651 1.00 0.00 H new ATOM 0 HE ARG A 87 4.764 -13.422 12.089 1.00 0.00 H new ATOM 0 HH11 ARG A 87 5.381 -10.099 10.951 1.00 0.00 H new ATOM 0 HH12 ARG A 87 6.675 -9.855 12.129 1.00 0.00 H new ATOM 0 HH21 ARG A 87 6.403 -13.072 13.522 1.00 0.00 H new ATOM 0 HH22 ARG A 87 7.245 -11.519 13.569 1.00 0.00 H new ATOM 1273 N ASP A 88 2.754 -13.675 5.998 1.00 0.00 N ATOM 1274 CA ASP A 88 1.642 -14.575 5.768 1.00 0.00 C ATOM 1275 C ASP A 88 0.931 -14.096 4.509 1.00 0.00 C ATOM 1276 O ASP A 88 1.231 -13.021 3.984 1.00 0.00 O ATOM 1277 CB ASP A 88 0.667 -14.519 6.954 1.00 0.00 C ATOM 1278 CG ASP A 88 1.174 -15.168 8.240 1.00 0.00 C ATOM 1279 OD1 ASP A 88 1.551 -16.364 8.225 1.00 0.00 O ATOM 1280 OD2 ASP A 88 0.997 -14.541 9.302 1.00 0.00 O ATOM 0 H ASP A 88 2.535 -12.708 5.760 1.00 0.00 H new ATOM 0 HA ASP A 88 1.994 -15.601 5.658 1.00 0.00 H new ATOM 0 HB2 ASP A 88 0.430 -13.475 7.161 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -0.264 -15.005 6.662 1.00 0.00 H new ATOM 1285 N ASP A 89 -0.095 -14.826 4.078 1.00 0.00 N ATOM 1286 CA ASP A 89 -0.963 -14.432 2.966 1.00 0.00 C ATOM 1287 C ASP A 89 -1.807 -13.203 3.349 1.00 0.00 C ATOM 1288 O ASP A 89 -2.398 -12.554 2.480 1.00 0.00 O ATOM 1289 CB ASP A 89 -1.834 -15.638 2.551 1.00 0.00 C ATOM 1290 CG ASP A 89 -1.125 -16.622 1.595 1.00 0.00 C ATOM 1291 OD1 ASP A 89 0.124 -16.562 1.450 1.00 0.00 O ATOM 1292 OD2 ASP A 89 -1.825 -17.499 1.045 1.00 0.00 O ATOM 0 H ASP A 89 -0.352 -15.720 4.496 1.00 0.00 H new ATOM 0 HA ASP A 89 -0.359 -14.140 2.107 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -2.143 -16.176 3.447 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -2.741 -15.271 2.071 1.00 0.00 H new ATOM 1297 N ARG A 90 -1.828 -12.838 4.643 1.00 0.00 N ATOM 1298 CA ARG A 90 -2.576 -11.712 5.200 1.00 0.00 C ATOM 1299 C ARG A 90 -1.701 -10.634 5.829 1.00 0.00 C ATOM 1300 O ARG A 90 -2.022 -9.455 5.691 1.00 0.00 O ATOM 1301 CB ARG A 90 -3.629 -12.195 6.210 1.00 0.00 C ATOM 1302 CG ARG A 90 -3.071 -13.086 7.332 1.00 0.00 C ATOM 1303 CD ARG A 90 -3.983 -13.117 8.558 1.00 0.00 C ATOM 1304 NE ARG A 90 -5.112 -14.044 8.394 1.00 0.00 N ATOM 1305 CZ ARG A 90 -5.862 -14.532 9.383 1.00 0.00 C ATOM 1306 NH1 ARG A 90 -5.770 -14.032 10.611 1.00 0.00 N ATOM 1307 NH2 ARG A 90 -6.701 -15.529 9.145 1.00 0.00 N ATOM 0 H ARG A 90 -1.300 -13.345 5.354 1.00 0.00 H new ATOM 0 HA ARG A 90 -3.071 -11.246 4.348 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -4.110 -11.326 6.658 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.402 -12.747 5.675 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -2.938 -14.100 6.955 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -2.086 -12.723 7.624 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -3.401 -13.408 9.433 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -4.365 -12.114 8.749 1.00 0.00 H new ATOM 0 HE ARG A 90 -5.341 -14.339 7.445 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -5.122 -13.268 10.804 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -6.348 -14.412 11.361 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -6.773 -15.922 8.207 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -7.275 -15.904 9.900 1.00 0.00 H new ATOM 1321 N GLN A 91 -0.635 -11.000 6.542 1.00 0.00 N ATOM 1322 CA GLN A 91 0.201 -10.046 7.254 1.00 0.00 C ATOM 1323 C GLN A 91 1.488 -9.916 6.468 1.00 0.00 C ATOM 1324 O GLN A 91 2.123 -10.923 6.159 1.00 0.00 O ATOM 1325 CB GLN A 91 0.540 -10.518 8.676 1.00 0.00 C ATOM 1326 CG GLN A 91 -0.682 -10.744 9.578 1.00 0.00 C ATOM 1327 CD GLN A 91 -0.317 -10.910 11.055 1.00 0.00 C ATOM 1328 OE1 GLN A 91 -0.672 -11.896 11.694 1.00 0.00 O ATOM 1329 NE2 GLN A 91 0.359 -9.947 11.657 1.00 0.00 N ATOM 0 H GLN A 91 -0.331 -11.969 6.639 1.00 0.00 H new ATOM 0 HA GLN A 91 -0.334 -9.100 7.344 1.00 0.00 H new ATOM 0 HB2 GLN A 91 1.106 -11.447 8.612 1.00 0.00 H new ATOM 0 HB3 GLN A 91 1.191 -9.780 9.145 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -1.365 -9.901 9.471 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -1.216 -11.632 9.240 1.00 0.00 H new ATOM 0 HE21 GLN A 91 0.656 -9.126 11.130 1.00 0.00 H new ATOM 0 HE22 GLN A 91 0.584 -10.025 12.649 1.00 0.00 H new ATOM 1338 N PHE A 92 1.886 -8.692 6.160 1.00 0.00 N ATOM 1339 CA PHE A 92 3.139 -8.406 5.463 1.00 0.00 C ATOM 1340 C PHE A 92 3.418 -6.908 5.499 1.00 0.00 C ATOM 1341 O PHE A 92 2.578 -6.131 5.965 1.00 0.00 O ATOM 1342 CB PHE A 92 3.099 -8.943 4.023 1.00 0.00 C ATOM 1343 CG PHE A 92 1.833 -8.637 3.261 1.00 0.00 C ATOM 1344 CD1 PHE A 92 1.676 -7.391 2.642 1.00 0.00 C ATOM 1345 CD2 PHE A 92 0.795 -9.582 3.204 1.00 0.00 C ATOM 1346 CE1 PHE A 92 0.482 -7.072 1.984 1.00 0.00 C ATOM 1347 CE2 PHE A 92 -0.408 -9.258 2.561 1.00 0.00 C ATOM 1348 CZ PHE A 92 -0.564 -8.011 1.929 1.00 0.00 C ATOM 0 H PHE A 92 1.346 -7.857 6.387 1.00 0.00 H new ATOM 0 HA PHE A 92 3.956 -8.917 5.972 1.00 0.00 H new ATOM 0 HB2 PHE A 92 3.944 -8.529 3.474 1.00 0.00 H new ATOM 0 HB3 PHE A 92 3.236 -10.024 4.051 1.00 0.00 H new ATOM 0 HD1 PHE A 92 2.481 -6.672 2.672 1.00 0.00 H new ATOM 0 HD2 PHE A 92 0.923 -10.555 3.654 1.00 0.00 H new ATOM 0 HE1 PHE A 92 0.364 -6.105 1.518 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -1.220 -9.970 2.551 1.00 0.00 H new ATOM 0 HZ PHE A 92 -1.479 -7.776 1.406 1.00 0.00 H new ATOM 1358 N ALA A 93 4.601 -6.511 5.037 1.00 0.00 N ATOM 1359 CA ALA A 93 5.037 -5.131 4.976 1.00 0.00 C ATOM 1360 C ALA A 93 4.817 -4.534 3.580 1.00 0.00 C ATOM 1361 O ALA A 93 4.353 -5.216 2.663 1.00 0.00 O ATOM 1362 CB ALA A 93 6.502 -5.048 5.412 1.00 0.00 C ATOM 0 H ALA A 93 5.299 -7.166 4.685 1.00 0.00 H new ATOM 0 HA ALA A 93 4.435 -4.533 5.660 1.00 0.00 H new ATOM 0 HB1 ALA A 93 6.836 -4.012 5.368 1.00 0.00 H new ATOM 0 HB2 ALA A 93 6.599 -5.418 6.433 1.00 0.00 H new ATOM 0 HB3 ALA A 93 7.115 -5.655 4.746 1.00 0.00 H new ATOM 1368 N ILE A 94 5.169 -3.257 3.416 1.00 0.00 N ATOM 1369 CA ILE A 94 5.443 -2.618 2.143 1.00 0.00 C ATOM 1370 C ILE A 94 6.537 -1.566 2.330 1.00 0.00 C ATOM 1371 O ILE A 94 6.416 -0.700 3.194 1.00 0.00 O ATOM 1372 CB ILE A 94 4.186 -1.974 1.521 1.00 0.00 C ATOM 1373 CG1 ILE A 94 3.326 -1.179 2.527 1.00 0.00 C ATOM 1374 CG2 ILE A 94 3.358 -3.034 0.786 1.00 0.00 C ATOM 1375 CD1 ILE A 94 2.112 -0.496 1.894 1.00 0.00 C ATOM 0 H ILE A 94 5.273 -2.619 4.205 1.00 0.00 H new ATOM 0 HA ILE A 94 5.777 -3.390 1.450 1.00 0.00 H new ATOM 0 HB ILE A 94 4.539 -1.233 0.804 1.00 0.00 H new ATOM 0 HG12 ILE A 94 2.984 -1.854 3.312 1.00 0.00 H new ATOM 0 HG13 ILE A 94 3.948 -0.423 3.006 1.00 0.00 H new ATOM 0 HG21 ILE A 94 2.474 -2.568 0.351 1.00 0.00 H new ATOM 0 HG22 ILE A 94 3.959 -3.481 -0.006 1.00 0.00 H new ATOM 0 HG23 ILE A 94 3.051 -3.808 1.489 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.556 0.043 2.662 1.00 0.00 H new ATOM 0 HD12 ILE A 94 2.447 0.205 1.129 1.00 0.00 H new ATOM 0 HD13 ILE A 94 1.467 -1.248 1.440 1.00 0.00 H new ATOM 1387 N ARG A 95 7.580 -1.613 1.496 1.00 0.00 N ATOM 1388 CA ARG A 95 8.499 -0.505 1.250 1.00 0.00 C ATOM 1389 C ARG A 95 7.768 0.458 0.345 1.00 0.00 C ATOM 1390 O ARG A 95 7.343 0.085 -0.748 1.00 0.00 O ATOM 1391 CB ARG A 95 9.780 -0.991 0.541 1.00 0.00 C ATOM 1392 CG ARG A 95 10.869 0.090 0.554 1.00 0.00 C ATOM 1393 CD ARG A 95 11.621 0.154 1.896 1.00 0.00 C ATOM 1394 NE ARG A 95 12.930 -0.523 1.822 1.00 0.00 N ATOM 1395 CZ ARG A 95 14.068 0.017 1.365 1.00 0.00 C ATOM 1396 NH1 ARG A 95 14.085 1.264 0.903 1.00 0.00 N ATOM 1397 NH2 ARG A 95 15.177 -0.717 1.358 1.00 0.00 N ATOM 0 H ARG A 95 7.812 -2.449 0.959 1.00 0.00 H new ATOM 0 HA ARG A 95 8.798 -0.044 2.191 1.00 0.00 H new ATOM 0 HB2 ARG A 95 10.151 -1.890 1.033 1.00 0.00 H new ATOM 0 HB3 ARG A 95 9.547 -1.263 -0.488 1.00 0.00 H new ATOM 0 HG2 ARG A 95 11.580 -0.106 -0.248 1.00 0.00 H new ATOM 0 HG3 ARG A 95 10.416 1.060 0.349 1.00 0.00 H new ATOM 0 HD2 ARG A 95 11.766 1.196 2.182 1.00 0.00 H new ATOM 0 HD3 ARG A 95 11.015 -0.309 2.675 1.00 0.00 H new ATOM 0 HE ARG A 95 12.972 -1.489 2.148 1.00 0.00 H new ATOM 0 HH11 ARG A 95 13.228 1.817 0.895 1.00 0.00 H new ATOM 0 HH12 ARG A 95 14.955 1.668 0.557 1.00 0.00 H new ATOM 0 HH21 ARG A 95 15.154 -1.678 1.698 1.00 0.00 H new ATOM 0 HH22 ARG A 95 16.050 -0.318 1.013 1.00 0.00 H new ATOM 1411 N LEU A 96 7.643 1.696 0.797 1.00 0.00 N ATOM 1412 CA LEU A 96 7.172 2.794 -0.022 1.00 0.00 C ATOM 1413 C LEU A 96 8.364 3.329 -0.814 1.00 0.00 C ATOM 1414 O LEU A 96 9.425 3.573 -0.226 1.00 0.00 O ATOM 1415 CB LEU A 96 6.623 3.895 0.899 1.00 0.00 C ATOM 1416 CG LEU A 96 5.345 3.583 1.718 1.00 0.00 C ATOM 1417 CD1 LEU A 96 4.387 2.580 1.066 1.00 0.00 C ATOM 1418 CD2 LEU A 96 5.674 3.085 3.126 1.00 0.00 C ATOM 0 H LEU A 96 7.869 1.966 1.754 1.00 0.00 H new ATOM 0 HA LEU A 96 6.385 2.469 -0.702 1.00 0.00 H new ATOM 0 HB2 LEU A 96 7.411 4.169 1.600 1.00 0.00 H new ATOM 0 HB3 LEU A 96 6.422 4.774 0.287 1.00 0.00 H new ATOM 0 HG LEU A 96 4.833 4.544 1.759 1.00 0.00 H new ATOM 0 HD11 LEU A 96 3.524 2.427 1.714 1.00 0.00 H new ATOM 0 HD12 LEU A 96 4.054 2.968 0.103 1.00 0.00 H new ATOM 0 HD13 LEU A 96 4.901 1.631 0.916 1.00 0.00 H new ATOM 0 HD21 LEU A 96 4.749 2.879 3.664 1.00 0.00 H new ATOM 0 HD22 LEU A 96 6.267 2.173 3.060 1.00 0.00 H new ATOM 0 HD23 LEU A 96 6.241 3.848 3.659 1.00 0.00 H new ATOM 1430 N VAL A 97 8.215 3.528 -2.124 1.00 0.00 N ATOM 1431 CA VAL A 97 9.212 4.137 -2.987 1.00 0.00 C ATOM 1432 C VAL A 97 8.548 5.194 -3.871 1.00 0.00 C ATOM 1433 O VAL A 97 7.340 5.408 -3.814 1.00 0.00 O ATOM 1434 CB VAL A 97 9.972 3.050 -3.781 1.00 0.00 C ATOM 1435 CG1 VAL A 97 10.618 1.989 -2.876 1.00 0.00 C ATOM 1436 CG2 VAL A 97 9.137 2.327 -4.844 1.00 0.00 C ATOM 0 H VAL A 97 7.368 3.259 -2.624 1.00 0.00 H new ATOM 0 HA VAL A 97 9.965 4.653 -2.392 1.00 0.00 H new ATOM 0 HB VAL A 97 10.744 3.625 -4.293 1.00 0.00 H new ATOM 0 HG11 VAL A 97 11.137 1.253 -3.491 1.00 0.00 H new ATOM 0 HG12 VAL A 97 11.331 2.468 -2.205 1.00 0.00 H new ATOM 0 HG13 VAL A 97 9.845 1.492 -2.290 1.00 0.00 H new ATOM 0 HG21 VAL A 97 9.754 1.584 -5.348 1.00 0.00 H new ATOM 0 HG22 VAL A 97 8.290 1.833 -4.368 1.00 0.00 H new ATOM 0 HG23 VAL A 97 8.772 3.050 -5.573 1.00 0.00 H new ATOM 1446 N GLY A 98 9.336 5.891 -4.685 1.00 0.00 N ATOM 1447 CA GLY A 98 8.859 6.568 -5.885 1.00 0.00 C ATOM 1448 C GLY A 98 8.219 7.938 -5.694 1.00 0.00 C ATOM 1449 O GLY A 98 8.073 8.684 -6.661 1.00 0.00 O ATOM 0 H GLY A 98 10.337 6.002 -4.527 1.00 0.00 H new ATOM 0 HA2 GLY A 98 9.700 6.679 -6.569 1.00 0.00 H new ATOM 0 HA3 GLY A 98 8.133 5.919 -6.375 1.00 0.00 H new ATOM 1453 N ARG A 99 7.960 8.295 -4.442 1.00 0.00 N ATOM 1454 CA ARG A 99 7.339 9.513 -3.929 1.00 0.00 C ATOM 1455 C ARG A 99 5.836 9.479 -4.178 1.00 0.00 C ATOM 1456 O ARG A 99 5.372 9.253 -5.293 1.00 0.00 O ATOM 1457 CB ARG A 99 8.017 10.764 -4.511 1.00 0.00 C ATOM 1458 CG ARG A 99 7.800 12.052 -3.712 1.00 0.00 C ATOM 1459 CD ARG A 99 6.392 12.614 -3.928 1.00 0.00 C ATOM 1460 NE ARG A 99 6.383 14.071 -4.141 1.00 0.00 N ATOM 1461 CZ ARG A 99 6.496 14.711 -5.311 1.00 0.00 C ATOM 1462 NH1 ARG A 99 6.630 14.021 -6.447 1.00 0.00 N ATOM 1463 NH2 ARG A 99 6.511 16.036 -5.339 1.00 0.00 N ATOM 0 H ARG A 99 8.207 7.669 -3.676 1.00 0.00 H new ATOM 0 HA ARG A 99 7.484 9.565 -2.850 1.00 0.00 H new ATOM 0 HB2 ARG A 99 9.088 10.577 -4.584 1.00 0.00 H new ATOM 0 HB3 ARG A 99 7.650 10.918 -5.526 1.00 0.00 H new ATOM 0 HG2 ARG A 99 7.956 11.854 -2.651 1.00 0.00 H new ATOM 0 HG3 ARG A 99 8.540 12.795 -4.010 1.00 0.00 H new ATOM 0 HD2 ARG A 99 5.939 12.123 -4.789 1.00 0.00 H new ATOM 0 HD3 ARG A 99 5.774 12.375 -3.063 1.00 0.00 H new ATOM 0 HE ARG A 99 6.280 14.653 -3.310 1.00 0.00 H new ATOM 0 HH11 ARG A 99 6.647 13.001 -6.425 1.00 0.00 H new ATOM 0 HH12 ARG A 99 6.716 14.514 -7.336 1.00 0.00 H new ATOM 0 HH21 ARG A 99 6.437 16.565 -4.470 1.00 0.00 H new ATOM 0 HH22 ARG A 99 6.597 16.526 -6.229 1.00 0.00 H new ATOM 1477 N VAL A 100 5.087 9.738 -3.114 1.00 0.00 N ATOM 1478 CA VAL A 100 3.628 9.737 -3.098 1.00 0.00 C ATOM 1479 C VAL A 100 3.186 11.086 -3.651 1.00 0.00 C ATOM 1480 O VAL A 100 3.456 12.113 -3.032 1.00 0.00 O ATOM 1481 CB VAL A 100 3.089 9.505 -1.669 1.00 0.00 C ATOM 1482 CG1 VAL A 100 1.566 9.300 -1.679 1.00 0.00 C ATOM 1483 CG2 VAL A 100 3.718 8.308 -0.936 1.00 0.00 C ATOM 0 H VAL A 100 5.492 9.963 -2.205 1.00 0.00 H new ATOM 0 HA VAL A 100 3.230 8.925 -3.706 1.00 0.00 H new ATOM 0 HB VAL A 100 3.366 10.410 -1.128 1.00 0.00 H new ATOM 0 HG11 VAL A 100 1.214 9.139 -0.660 1.00 0.00 H new ATOM 0 HG12 VAL A 100 1.083 10.184 -2.094 1.00 0.00 H new ATOM 0 HG13 VAL A 100 1.320 8.431 -2.290 1.00 0.00 H new ATOM 0 HG21 VAL A 100 3.281 8.220 0.059 1.00 0.00 H new ATOM 0 HG22 VAL A 100 3.526 7.395 -1.499 1.00 0.00 H new ATOM 0 HG23 VAL A 100 4.794 8.460 -0.848 1.00 0.00 H new ATOM 1493 N ARG A 101 2.567 11.118 -4.826 1.00 0.00 N ATOM 1494 CA ARG A 101 2.026 12.331 -5.424 1.00 0.00 C ATOM 1495 C ARG A 101 0.511 12.215 -5.350 1.00 0.00 C ATOM 1496 O ARG A 101 -0.020 11.120 -5.534 1.00 0.00 O ATOM 1497 CB ARG A 101 2.597 12.445 -6.852 1.00 0.00 C ATOM 1498 CG ARG A 101 1.867 13.404 -7.806 1.00 0.00 C ATOM 1499 CD ARG A 101 0.822 12.669 -8.648 1.00 0.00 C ATOM 1500 NE ARG A 101 0.065 13.580 -9.512 1.00 0.00 N ATOM 1501 CZ ARG A 101 -0.255 13.368 -10.789 1.00 0.00 C ATOM 1502 NH1 ARG A 101 0.477 12.557 -11.547 1.00 0.00 N ATOM 1503 NH2 ARG A 101 -1.329 13.975 -11.280 1.00 0.00 N ATOM 0 H ARG A 101 2.425 10.286 -5.399 1.00 0.00 H new ATOM 0 HA ARG A 101 2.306 13.251 -4.910 1.00 0.00 H new ATOM 0 HB2 ARG A 101 3.637 12.762 -6.780 1.00 0.00 H new ATOM 0 HB3 ARG A 101 2.597 11.451 -7.300 1.00 0.00 H new ATOM 0 HG2 ARG A 101 1.383 14.193 -7.230 1.00 0.00 H new ATOM 0 HG3 ARG A 101 2.591 13.887 -8.463 1.00 0.00 H new ATOM 0 HD2 ARG A 101 1.317 11.916 -9.262 1.00 0.00 H new ATOM 0 HD3 ARG A 101 0.133 12.140 -7.989 1.00 0.00 H new ATOM 0 HE ARG A 101 -0.246 14.458 -9.097 1.00 0.00 H new ATOM 0 HH11 ARG A 101 1.293 12.089 -11.153 1.00 0.00 H new ATOM 0 HH12 ARG A 101 0.222 12.403 -12.523 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -1.887 14.586 -10.684 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -1.596 13.830 -12.254 1.00 0.00 H new ATOM 1517 N GLU A 102 -0.182 13.328 -5.123 1.00 0.00 N ATOM 1518 CA GLU A 102 -1.634 13.372 -5.205 1.00 0.00 C ATOM 1519 C GLU A 102 -2.011 13.243 -6.676 1.00 0.00 C ATOM 1520 O GLU A 102 -1.886 14.204 -7.442 1.00 0.00 O ATOM 1521 CB GLU A 102 -2.218 14.673 -4.641 1.00 0.00 C ATOM 1522 CG GLU A 102 -1.923 14.920 -3.158 1.00 0.00 C ATOM 1523 CD GLU A 102 -0.469 15.326 -2.927 1.00 0.00 C ATOM 1524 OE1 GLU A 102 -0.007 16.243 -3.640 1.00 0.00 O ATOM 1525 OE2 GLU A 102 0.194 14.716 -2.058 1.00 0.00 O ATOM 0 H GLU A 102 0.248 14.220 -4.878 1.00 0.00 H new ATOM 0 HA GLU A 102 -2.044 12.559 -4.605 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -1.828 15.511 -5.219 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -3.298 14.662 -4.785 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -2.583 15.702 -2.782 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -2.143 14.017 -2.589 1.00 0.00 H new ATOM 1532 N LEU A 103 -2.419 12.048 -7.102 1.00 0.00 N ATOM 1533 CA LEU A 103 -2.919 11.840 -8.459 1.00 0.00 C ATOM 1534 C LEU A 103 -4.242 12.589 -8.668 1.00 0.00 C ATOM 1535 O LEU A 103 -4.556 12.956 -9.796 1.00 0.00 O ATOM 1536 CB LEU A 103 -3.083 10.342 -8.757 1.00 0.00 C ATOM 1537 CG LEU A 103 -1.819 9.613 -9.266 1.00 0.00 C ATOM 1538 CD1 LEU A 103 -0.796 9.327 -8.154 1.00 0.00 C ATOM 1539 CD2 LEU A 103 -2.225 8.289 -9.928 1.00 0.00 C ATOM 0 H LEU A 103 -2.413 11.207 -6.524 1.00 0.00 H new ATOM 0 HA LEU A 103 -2.187 12.243 -9.159 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -3.424 9.846 -7.848 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -3.871 10.223 -9.500 1.00 0.00 H new ATOM 0 HG LEU A 103 -1.338 10.278 -9.983 1.00 0.00 H new ATOM 0 HD11 LEU A 103 0.068 8.814 -8.577 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -0.475 10.267 -7.704 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -1.254 8.697 -7.391 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -1.334 7.774 -10.288 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -2.739 7.661 -9.200 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -2.891 8.491 -10.767 1.00 0.00 H new ATOM 1551 N GLN A 104 -4.997 12.844 -7.597 1.00 0.00 N ATOM 1552 CA GLN A 104 -6.216 13.653 -7.576 1.00 0.00 C ATOM 1553 C GLN A 104 -6.382 14.308 -6.209 1.00 0.00 C ATOM 1554 O GLN A 104 -5.791 13.843 -5.239 1.00 0.00 O ATOM 1555 CB GLN A 104 -7.449 12.768 -7.852 1.00 0.00 C ATOM 1556 CG GLN A 104 -7.854 12.658 -9.327 1.00 0.00 C ATOM 1557 CD GLN A 104 -9.179 11.905 -9.468 1.00 0.00 C ATOM 1558 OE1 GLN A 104 -9.267 10.880 -10.141 1.00 0.00 O ATOM 1559 NE2 GLN A 104 -10.244 12.385 -8.846 1.00 0.00 N ATOM 0 H GLN A 104 -4.763 12.473 -6.676 1.00 0.00 H new ATOM 0 HA GLN A 104 -6.134 14.418 -8.348 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -7.251 11.767 -7.470 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -8.294 13.163 -7.288 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -7.948 13.654 -9.759 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -7.074 12.141 -9.886 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -10.169 13.236 -8.288 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -11.140 11.904 -8.924 1.00 0.00 H new ATOM 1568 N ARG A 105 -7.250 15.319 -6.110 1.00 0.00 N ATOM 1569 CA ARG A 105 -7.765 15.885 -4.868 1.00 0.00 C ATOM 1570 C ARG A 105 -9.283 15.758 -4.901 1.00 0.00 C ATOM 1571 O ARG A 105 -9.927 16.313 -5.788 1.00 0.00 O ATOM 1572 CB ARG A 105 -7.353 17.350 -4.696 1.00 0.00 C ATOM 1573 CG ARG A 105 -5.891 17.556 -4.274 1.00 0.00 C ATOM 1574 CD ARG A 105 -4.890 17.556 -5.432 1.00 0.00 C ATOM 1575 NE ARG A 105 -3.508 17.711 -4.941 1.00 0.00 N ATOM 1576 CZ ARG A 105 -2.468 18.180 -5.639 1.00 0.00 C ATOM 1577 NH1 ARG A 105 -2.645 18.630 -6.878 1.00 0.00 N ATOM 1578 NH2 ARG A 105 -1.249 18.185 -5.114 1.00 0.00 N ATOM 0 H ARG A 105 -7.628 15.784 -6.935 1.00 0.00 H new ATOM 0 HA ARG A 105 -7.347 15.344 -4.019 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -7.524 17.875 -5.636 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -8.001 17.811 -3.951 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -5.810 18.503 -3.740 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -5.615 16.770 -3.571 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -4.978 16.625 -5.992 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -5.127 18.366 -6.121 1.00 0.00 H new ATOM 0 HE ARG A 105 -3.328 17.434 -3.976 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -3.575 18.618 -7.297 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -1.851 18.987 -7.409 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -1.099 17.829 -4.170 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -0.462 18.545 -5.655 1.00 0.00 H new ATOM 1592 N ARG A 106 -9.852 14.973 -3.994 1.00 0.00 N ATOM 1593 CA ARG A 106 -11.282 14.864 -3.740 1.00 0.00 C ATOM 1594 C ARG A 106 -11.684 16.142 -2.989 1.00 0.00 C ATOM 1595 O ARG A 106 -11.241 16.355 -1.860 1.00 0.00 O ATOM 1596 CB ARG A 106 -11.532 13.590 -2.898 1.00 0.00 C ATOM 1597 CG ARG A 106 -12.281 12.461 -3.624 1.00 0.00 C ATOM 1598 CD ARG A 106 -12.600 11.350 -2.610 1.00 0.00 C ATOM 1599 NE ARG A 106 -13.173 10.148 -3.236 1.00 0.00 N ATOM 1600 CZ ARG A 106 -14.121 9.352 -2.723 1.00 0.00 C ATOM 1601 NH1 ARG A 106 -14.754 9.657 -1.592 1.00 0.00 N ATOM 1602 NH2 ARG A 106 -14.422 8.222 -3.346 1.00 0.00 N ATOM 0 H ARG A 106 -9.301 14.366 -3.387 1.00 0.00 H new ATOM 0 HA ARG A 106 -11.874 14.775 -4.651 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -10.571 13.205 -2.556 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -12.099 13.867 -2.009 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -13.200 12.842 -4.069 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -11.673 12.066 -4.438 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -11.688 11.077 -2.079 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -13.298 11.734 -1.866 1.00 0.00 H new ATOM 0 HE ARG A 106 -12.811 9.895 -4.155 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -14.521 10.516 -1.093 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -15.472 9.032 -1.225 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -13.934 7.968 -4.205 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -15.142 7.607 -2.967 1.00 0.00 H new ATOM 1616 N GLU A 107 -12.505 16.997 -3.595 1.00 0.00 N ATOM 1617 CA GLU A 107 -12.976 18.265 -3.028 1.00 0.00 C ATOM 1618 C GLU A 107 -14.145 18.013 -2.053 1.00 0.00 C ATOM 1619 O GLU A 107 -15.228 18.589 -2.191 1.00 0.00 O ATOM 1620 CB GLU A 107 -13.404 19.176 -4.192 1.00 0.00 C ATOM 1621 CG GLU A 107 -13.583 20.659 -3.806 1.00 0.00 C ATOM 1622 CD GLU A 107 -12.520 21.619 -4.354 1.00 0.00 C ATOM 1623 OE1 GLU A 107 -11.446 21.196 -4.857 1.00 0.00 O ATOM 1624 OE2 GLU A 107 -12.665 22.846 -4.150 1.00 0.00 O ATOM 0 H GLU A 107 -12.876 16.822 -4.529 1.00 0.00 H new ATOM 0 HA GLU A 107 -12.182 18.749 -2.460 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -12.659 19.107 -4.985 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -14.343 18.804 -4.603 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -14.561 20.991 -4.154 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -13.589 20.735 -2.719 1.00 0.00 H new ATOM 1631 N TYR A 108 -13.965 17.104 -1.093 1.00 0.00 N ATOM 1632 CA TYR A 108 -15.022 16.631 -0.194 1.00 0.00 C ATOM 1633 C TYR A 108 -14.562 16.680 1.263 1.00 0.00 C ATOM 1634 O TYR A 108 -14.988 15.861 2.087 1.00 0.00 O ATOM 1635 CB TYR A 108 -15.497 15.232 -0.613 1.00 0.00 C ATOM 1636 CG TYR A 108 -16.005 15.158 -2.040 1.00 0.00 C ATOM 1637 CD1 TYR A 108 -17.281 15.647 -2.380 1.00 0.00 C ATOM 1638 CD2 TYR A 108 -15.160 14.662 -3.043 1.00 0.00 C ATOM 1639 CE1 TYR A 108 -17.695 15.667 -3.726 1.00 0.00 C ATOM 1640 CE2 TYR A 108 -15.566 14.664 -4.386 1.00 0.00 C ATOM 1641 CZ TYR A 108 -16.828 15.188 -4.736 1.00 0.00 C ATOM 1642 OH TYR A 108 -17.170 15.256 -6.050 1.00 0.00 O ATOM 0 H TYR A 108 -13.061 16.666 -0.914 1.00 0.00 H new ATOM 0 HA TYR A 108 -15.879 17.300 -0.275 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -14.673 14.528 -0.494 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -16.290 14.911 0.062 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -17.944 16.007 -1.607 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -14.187 14.275 -2.779 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -18.672 16.047 -3.986 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -14.914 14.266 -5.149 1.00 0.00 H new ATOM 0 HH TYR A 108 -16.448 14.879 -6.596 1.00 0.00 H new ATOM 1652 N PHE A 109 -13.657 17.606 1.592 1.00 0.00 N ATOM 1653 CA PHE A 109 -13.354 17.936 2.962 1.00 0.00 C ATOM 1654 C PHE A 109 -14.052 19.261 3.232 1.00 0.00 C ATOM 1655 O PHE A 109 -14.988 19.287 4.060 1.00 0.00 O ATOM 1656 CB PHE A 109 -11.841 17.947 3.169 1.00 0.00 C ATOM 1657 CG PHE A 109 -11.475 18.634 4.457 1.00 0.00 C ATOM 1658 CD1 PHE A 109 -11.508 17.955 5.687 1.00 0.00 C ATOM 1659 CD2 PHE A 109 -11.235 20.010 4.415 1.00 0.00 C ATOM 1660 CE1 PHE A 109 -11.271 18.663 6.879 1.00 0.00 C ATOM 1661 CE2 PHE A 109 -11.006 20.722 5.608 1.00 0.00 C ATOM 1662 CZ PHE A 109 -11.016 20.045 6.840 1.00 0.00 C ATOM 0 H PHE A 109 -13.122 18.140 0.907 1.00 0.00 H new ATOM 0 HA PHE A 109 -13.718 17.203 3.682 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -11.465 16.924 3.179 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -11.360 18.455 2.333 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -11.714 16.895 5.717 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -11.225 20.528 3.467 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -11.285 18.144 7.826 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -10.823 21.786 5.577 1.00 0.00 H new ATOM 0 HZ PHE A 109 -10.828 20.586 7.756 1.00 0.00 H new TER 1672 PHE A 109