USER MOD reduce.3.24.130724 H: found=0, std=0, add=521, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 524 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 101 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 135 GLN : amide:sc= -1.32 K(o=-1.3,f=-2.8!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 2:sc= 0.783! USER MOD Single : A 94 LYS NZ :NH3+ 164:sc=-0.00285 (180deg=-0.203) USER MOD Single : A 97 ASN : amide:sc= -1.42! C(o=-1.4!,f=-5.8!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HE2:sc= -0.786! C(o=-0.79!,f=-5.1!) USER MOD Single : A 109 MET CE :methyl 177:sc= 0 (180deg=-0.0146) USER MOD Single : A 110 THR OG1 : rot 88:sc= 0.195 USER MOD Single : A 111 ASN : amide:sc= -0.0163 K(o=-0.016,f=-1.3!) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot -90:sc= -3.81! USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 137 ASN : amide:sc= -0.0159 X(o=-0.016,f=-0.19) USER MOD Single : A 138 TYR OH : rot 180:sc= 0.0519 USER MOD Single : A 143 GLN : amide:sc= -0.0906 K(o=-0.091,f=-0.83) USER MOD Single : A 144 MET CE :methyl 174:sc= -0.954 (180deg=-1.08) USER MOD Single : A 145 MET CE :methyl -179:sc= -0.855 (180deg=-0.855) USER MOD Single : A 146 THR OG1 : rot 180:sc= 0 USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 78 17.851 14.426 -1.788 1.00 0.00 N ATOM 2 CA ASP A 78 17.734 15.906 -1.907 1.00 0.00 C ATOM 3 C ASP A 78 16.400 16.373 -1.323 1.00 0.00 C ATOM 4 O ASP A 78 16.369 16.986 -0.258 1.00 0.00 O ATOM 5 CB ASP A 78 17.843 16.302 -3.379 1.00 0.00 C ATOM 6 CG ASP A 78 19.291 16.159 -3.852 1.00 0.00 C ATOM 7 OD1 ASP A 78 20.163 16.031 -3.008 1.00 0.00 O ATOM 8 OD2 ASP A 78 19.507 16.177 -5.054 1.00 0.00 O ATOM 0 HA ASP A 78 18.539 16.384 -1.348 1.00 0.00 H new ATOM 0 HB2 ASP A 78 17.190 15.672 -3.983 1.00 0.00 H new ATOM 0 HB3 ASP A 78 17.507 17.330 -3.514 1.00 0.00 H new ATOM 15 N THR A 79 15.299 16.067 -2.015 1.00 0.00 N ATOM 16 CA THR A 79 13.960 16.454 -1.538 1.00 0.00 C ATOM 17 C THR A 79 13.020 15.248 -1.566 1.00 0.00 C ATOM 18 O THR A 79 12.803 14.644 -2.618 1.00 0.00 O ATOM 19 CB THR A 79 13.391 17.569 -2.422 1.00 0.00 C ATOM 20 OG1 THR A 79 14.329 18.632 -2.498 1.00 0.00 O ATOM 21 CG2 THR A 79 12.085 18.089 -1.821 1.00 0.00 C ATOM 0 H THR A 79 15.303 15.558 -2.899 1.00 0.00 H new ATOM 0 HA THR A 79 14.046 16.815 -0.513 1.00 0.00 H new ATOM 0 HB THR A 79 13.197 17.176 -3.420 1.00 0.00 H new ATOM 0 HG1 THR A 79 13.969 19.346 -3.064 1.00 0.00 H new ATOM 0 HG21 THR A 79 11.684 18.882 -2.453 1.00 0.00 H new ATOM 0 HG22 THR A 79 11.363 17.274 -1.759 1.00 0.00 H new ATOM 0 HG23 THR A 79 12.275 18.482 -0.822 1.00 0.00 H new ATOM 29 N ASP A 80 12.469 14.897 -0.406 1.00 0.00 N ATOM 30 CA ASP A 80 11.559 13.759 -0.314 1.00 0.00 C ATOM 31 C ASP A 80 10.201 14.109 -0.926 1.00 0.00 C ATOM 32 O ASP A 80 9.648 13.343 -1.713 1.00 0.00 O ATOM 33 CB ASP A 80 11.384 13.351 1.157 1.00 0.00 C ATOM 34 CG ASP A 80 12.581 12.522 1.633 1.00 0.00 C ATOM 35 OD1 ASP A 80 13.336 12.062 0.793 1.00 0.00 O ATOM 36 OD2 ASP A 80 12.727 12.364 2.834 1.00 0.00 O ATOM 0 H ASP A 80 12.635 15.380 0.477 1.00 0.00 H new ATOM 0 HA ASP A 80 11.984 12.924 -0.870 1.00 0.00 H new ATOM 0 HB2 ASP A 80 11.282 14.241 1.777 1.00 0.00 H new ATOM 0 HB3 ASP A 80 10.466 12.775 1.273 1.00 0.00 H new ATOM 41 N SER A 81 9.670 15.269 -0.551 1.00 0.00 N ATOM 42 CA SER A 81 8.378 15.714 -1.062 1.00 0.00 C ATOM 43 C SER A 81 7.273 14.717 -0.713 1.00 0.00 C ATOM 44 O SER A 81 6.881 13.888 -1.536 1.00 0.00 O ATOM 45 CB SER A 81 8.452 15.899 -2.577 1.00 0.00 C ATOM 46 OG SER A 81 8.362 14.633 -3.213 1.00 0.00 O ATOM 0 H SER A 81 10.112 15.915 0.102 1.00 0.00 H new ATOM 0 HA SER A 81 8.137 16.667 -0.591 1.00 0.00 H new ATOM 0 HB2 SER A 81 7.643 16.546 -2.915 1.00 0.00 H new ATOM 0 HB3 SER A 81 9.387 16.389 -2.849 1.00 0.00 H new ATOM 0 HG SER A 81 8.246 13.934 -2.536 1.00 0.00 H new ATOM 52 N GLU A 82 6.766 14.816 0.510 1.00 0.00 N ATOM 53 CA GLU A 82 5.702 13.932 0.967 1.00 0.00 C ATOM 54 C GLU A 82 4.563 13.896 -0.052 1.00 0.00 C ATOM 55 O GLU A 82 3.706 13.013 -0.015 1.00 0.00 O ATOM 56 CB GLU A 82 5.180 14.438 2.321 1.00 0.00 C ATOM 57 CG GLU A 82 4.124 13.474 2.873 1.00 0.00 C ATOM 58 CD GLU A 82 3.699 13.907 4.273 1.00 0.00 C ATOM 59 OE1 GLU A 82 4.044 15.011 4.662 1.00 0.00 O ATOM 60 OE2 GLU A 82 3.031 13.130 4.937 1.00 0.00 O ATOM 0 H GLU A 82 7.074 15.499 1.202 1.00 0.00 H new ATOM 0 HA GLU A 82 6.095 12.921 1.077 1.00 0.00 H new ATOM 0 HB2 GLU A 82 6.006 14.528 3.027 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.750 15.433 2.205 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.258 13.454 2.212 1.00 0.00 H new ATOM 0 HG3 GLU A 82 4.526 12.461 2.903 1.00 0.00 H new ATOM 67 N GLU A 83 4.561 14.867 -0.958 1.00 0.00 N ATOM 68 CA GLU A 83 3.523 14.958 -1.971 1.00 0.00 C ATOM 69 C GLU A 83 3.550 13.760 -2.925 1.00 0.00 C ATOM 70 O GLU A 83 2.526 13.108 -3.126 1.00 0.00 O ATOM 71 CB GLU A 83 3.684 16.269 -2.745 1.00 0.00 C ATOM 72 CG GLU A 83 3.431 17.468 -1.806 1.00 0.00 C ATOM 73 CD GLU A 83 4.695 17.807 -1.016 1.00 0.00 C ATOM 74 OE1 GLU A 83 5.663 17.077 -1.141 1.00 0.00 O ATOM 75 OE2 GLU A 83 4.668 18.784 -0.285 1.00 0.00 O ATOM 0 H GLU A 83 5.267 15.601 -1.010 1.00 0.00 H new ATOM 0 HA GLU A 83 2.554 14.945 -1.472 1.00 0.00 H new ATOM 0 HB2 GLU A 83 4.687 16.332 -3.167 1.00 0.00 H new ATOM 0 HB3 GLU A 83 2.985 16.296 -3.581 1.00 0.00 H new ATOM 0 HG2 GLU A 83 3.117 18.334 -2.389 1.00 0.00 H new ATOM 0 HG3 GLU A 83 2.618 17.234 -1.119 1.00 0.00 H new ATOM 82 N GLU A 84 4.708 13.454 -3.506 1.00 0.00 N ATOM 83 CA GLU A 84 4.787 12.315 -4.419 1.00 0.00 C ATOM 84 C GLU A 84 4.189 11.089 -3.741 1.00 0.00 C ATOM 85 O GLU A 84 3.334 10.405 -4.303 1.00 0.00 O ATOM 86 CB GLU A 84 6.242 12.025 -4.792 1.00 0.00 C ATOM 87 CG GLU A 84 6.297 10.974 -5.905 1.00 0.00 C ATOM 88 CD GLU A 84 5.769 11.563 -7.210 1.00 0.00 C ATOM 89 OE1 GLU A 84 5.744 12.779 -7.322 1.00 0.00 O ATOM 90 OE2 GLU A 84 5.397 10.792 -8.077 1.00 0.00 O ATOM 0 H GLU A 84 5.582 13.962 -3.367 1.00 0.00 H new ATOM 0 HA GLU A 84 4.232 12.552 -5.327 1.00 0.00 H new ATOM 0 HB2 GLU A 84 6.731 12.942 -5.121 1.00 0.00 H new ATOM 0 HB3 GLU A 84 6.787 11.669 -3.917 1.00 0.00 H new ATOM 0 HG2 GLU A 84 7.322 10.630 -6.041 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.704 10.104 -5.624 1.00 0.00 H new ATOM 97 N ILE A 85 4.631 10.834 -2.512 1.00 0.00 N ATOM 98 CA ILE A 85 4.125 9.696 -1.752 1.00 0.00 C ATOM 99 C ILE A 85 2.602 9.791 -1.662 1.00 0.00 C ATOM 100 O ILE A 85 1.889 8.828 -1.944 1.00 0.00 O ATOM 101 CB ILE A 85 4.712 9.723 -0.330 1.00 0.00 C ATOM 102 CG1 ILE A 85 6.236 9.561 -0.392 1.00 0.00 C ATOM 103 CG2 ILE A 85 4.131 8.578 0.510 1.00 0.00 C ATOM 104 CD1 ILE A 85 6.825 9.743 1.011 1.00 0.00 C ATOM 0 H ILE A 85 5.331 11.394 -2.026 1.00 0.00 H new ATOM 0 HA ILE A 85 4.414 8.770 -2.250 1.00 0.00 H new ATOM 0 HB ILE A 85 4.456 10.678 0.128 1.00 0.00 H new ATOM 0 HG12 ILE A 85 6.492 8.576 -0.781 1.00 0.00 H new ATOM 0 HG13 ILE A 85 6.663 10.295 -1.076 1.00 0.00 H new ATOM 0 HG21 ILE A 85 4.556 8.611 1.513 1.00 0.00 H new ATOM 0 HG22 ILE A 85 3.048 8.685 0.571 1.00 0.00 H new ATOM 0 HG23 ILE A 85 4.376 7.624 0.043 1.00 0.00 H new ATOM 0 HD11 ILE A 85 7.908 9.628 0.969 1.00 0.00 H new ATOM 0 HD12 ILE A 85 6.580 10.738 1.382 1.00 0.00 H new ATOM 0 HD13 ILE A 85 6.407 8.992 1.681 1.00 0.00 H new ATOM 116 N ARG A 86 2.114 10.961 -1.274 1.00 0.00 N ATOM 117 CA ARG A 86 0.680 11.173 -1.141 1.00 0.00 C ATOM 118 C ARG A 86 -0.035 10.854 -2.461 1.00 0.00 C ATOM 119 O ARG A 86 -1.152 10.330 -2.469 1.00 0.00 O ATOM 120 CB ARG A 86 0.425 12.631 -0.725 1.00 0.00 C ATOM 121 CG ARG A 86 0.874 12.855 0.738 1.00 0.00 C ATOM 122 CD ARG A 86 -0.266 12.509 1.701 1.00 0.00 C ATOM 123 NE ARG A 86 -1.374 13.429 1.503 1.00 0.00 N ATOM 124 CZ ARG A 86 -2.543 13.246 2.114 1.00 0.00 C ATOM 125 NH1 ARG A 86 -2.691 12.263 2.968 1.00 0.00 N ATOM 126 NH2 ARG A 86 -3.534 14.058 1.874 1.00 0.00 N ATOM 0 H ARG A 86 2.687 11.774 -1.047 1.00 0.00 H new ATOM 0 HA ARG A 86 0.283 10.505 -0.376 1.00 0.00 H new ATOM 0 HB2 ARG A 86 0.967 13.306 -1.387 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.634 12.866 -0.828 1.00 0.00 H new ATOM 0 HG2 ARG A 86 1.745 12.237 0.957 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.176 13.893 0.878 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -0.598 11.484 1.533 1.00 0.00 H new ATOM 0 HD3 ARG A 86 0.086 12.565 2.731 1.00 0.00 H new ATOM 0 HE ARG A 86 -1.254 14.231 0.884 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -1.910 11.637 3.165 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -3.587 12.124 3.435 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -3.413 14.831 1.220 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -4.431 13.920 2.340 1.00 0.00 H new ATOM 140 N GLU A 87 0.622 11.140 -3.580 1.00 0.00 N ATOM 141 CA GLU A 87 0.036 10.858 -4.885 1.00 0.00 C ATOM 142 C GLU A 87 0.078 9.359 -5.191 1.00 0.00 C ATOM 143 O GLU A 87 -0.954 8.697 -5.255 1.00 0.00 O ATOM 144 CB GLU A 87 0.802 11.631 -5.964 1.00 0.00 C ATOM 145 CG GLU A 87 0.568 13.132 -5.779 1.00 0.00 C ATOM 146 CD GLU A 87 1.403 13.922 -6.782 1.00 0.00 C ATOM 147 OE1 GLU A 87 2.026 13.299 -7.625 1.00 0.00 O ATOM 148 OE2 GLU A 87 1.409 15.141 -6.692 1.00 0.00 O ATOM 0 H GLU A 87 1.550 11.562 -3.610 1.00 0.00 H new ATOM 0 HA GLU A 87 -1.007 11.174 -4.875 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.867 11.407 -5.900 1.00 0.00 H new ATOM 0 HB3 GLU A 87 0.470 11.320 -6.954 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -0.489 13.362 -5.913 1.00 0.00 H new ATOM 0 HG3 GLU A 87 0.832 13.426 -4.763 1.00 0.00 H new ATOM 155 N ALA A 88 1.284 8.838 -5.397 1.00 0.00 N ATOM 156 CA ALA A 88 1.475 7.418 -5.719 1.00 0.00 C ATOM 157 C ALA A 88 0.439 6.554 -4.997 1.00 0.00 C ATOM 158 O ALA A 88 -0.242 5.736 -5.618 1.00 0.00 O ATOM 159 CB ALA A 88 2.885 6.989 -5.318 1.00 0.00 C ATOM 0 H ALA A 88 2.149 9.376 -5.348 1.00 0.00 H new ATOM 0 HA ALA A 88 1.344 7.281 -6.792 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.026 5.935 -5.557 1.00 0.00 H new ATOM 0 HB2 ALA A 88 3.616 7.586 -5.863 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.020 7.139 -4.247 1.00 0.00 H new ATOM 165 N PHE A 89 0.314 6.755 -3.686 1.00 0.00 N ATOM 166 CA PHE A 89 -0.655 6.001 -2.903 1.00 0.00 C ATOM 167 C PHE A 89 -2.092 6.317 -3.347 1.00 0.00 C ATOM 168 O PHE A 89 -2.913 5.412 -3.494 1.00 0.00 O ATOM 169 CB PHE A 89 -0.473 6.310 -1.412 1.00 0.00 C ATOM 170 CG PHE A 89 0.596 5.405 -0.834 1.00 0.00 C ATOM 171 CD1 PHE A 89 0.347 4.033 -0.694 1.00 0.00 C ATOM 172 CD2 PHE A 89 1.834 5.928 -0.450 1.00 0.00 C ATOM 173 CE1 PHE A 89 1.336 3.195 -0.170 1.00 0.00 C ATOM 174 CE2 PHE A 89 2.816 5.086 0.075 1.00 0.00 C ATOM 175 CZ PHE A 89 2.568 3.728 0.213 1.00 0.00 C ATOM 0 H PHE A 89 0.866 7.426 -3.152 1.00 0.00 H new ATOM 0 HA PHE A 89 -0.482 4.938 -3.070 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.191 7.354 -1.278 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.414 6.163 -0.882 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.607 3.624 -0.990 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.031 6.984 -0.560 1.00 0.00 H new ATOM 0 HE1 PHE A 89 1.147 2.137 -0.062 1.00 0.00 H new ATOM 0 HE2 PHE A 89 3.771 5.493 0.374 1.00 0.00 H new ATOM 0 HZ PHE A 89 3.331 3.080 0.618 1.00 0.00 H new ATOM 185 N ARG A 90 -2.397 7.597 -3.566 1.00 0.00 N ATOM 186 CA ARG A 90 -3.743 7.962 -3.999 1.00 0.00 C ATOM 187 C ARG A 90 -4.113 7.175 -5.257 1.00 0.00 C ATOM 188 O ARG A 90 -5.212 6.630 -5.365 1.00 0.00 O ATOM 189 CB ARG A 90 -3.810 9.472 -4.278 1.00 0.00 C ATOM 190 CG ARG A 90 -3.935 10.255 -2.957 1.00 0.00 C ATOM 191 CD ARG A 90 -5.398 10.348 -2.531 1.00 0.00 C ATOM 192 NE ARG A 90 -5.527 11.250 -1.394 1.00 0.00 N ATOM 193 CZ ARG A 90 -5.693 12.565 -1.565 1.00 0.00 C ATOM 194 NH1 ARG A 90 -5.752 13.066 -2.773 1.00 0.00 N ATOM 195 NH2 ARG A 90 -5.806 13.352 -0.529 1.00 0.00 N ATOM 0 H ARG A 90 -1.750 8.377 -3.454 1.00 0.00 H new ATOM 0 HA ARG A 90 -4.453 7.719 -3.209 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -2.915 9.790 -4.814 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.662 9.692 -4.921 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -3.353 9.762 -2.178 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -3.521 11.256 -3.079 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -6.006 10.707 -3.362 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -5.772 9.359 -2.266 1.00 0.00 H new ATOM 0 HE ARG A 90 -5.490 10.870 -0.448 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -5.671 12.453 -3.584 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -5.879 14.070 -2.903 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -5.768 12.963 0.413 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -5.933 14.355 -0.662 1.00 0.00 H new ATOM 209 N VAL A 91 -3.178 7.106 -6.197 1.00 0.00 N ATOM 210 CA VAL A 91 -3.397 6.372 -7.437 1.00 0.00 C ATOM 211 C VAL A 91 -3.643 4.895 -7.129 1.00 0.00 C ATOM 212 O VAL A 91 -4.524 4.265 -7.712 1.00 0.00 O ATOM 213 CB VAL A 91 -2.174 6.515 -8.350 1.00 0.00 C ATOM 214 CG1 VAL A 91 -2.333 5.629 -9.586 1.00 0.00 C ATOM 215 CG2 VAL A 91 -2.036 7.976 -8.788 1.00 0.00 C ATOM 0 H VAL A 91 -2.262 7.549 -6.124 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.271 6.782 -7.944 1.00 0.00 H new ATOM 0 HB VAL A 91 -1.283 6.206 -7.803 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.458 5.739 -10.227 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.428 4.588 -9.278 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.226 5.928 -10.136 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.167 8.081 -9.437 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.932 8.280 -9.329 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.911 8.609 -7.909 1.00 0.00 H new ATOM 225 N PHE A 92 -2.850 4.356 -6.208 1.00 0.00 N ATOM 226 CA PHE A 92 -2.978 2.949 -5.823 1.00 0.00 C ATOM 227 C PHE A 92 -4.389 2.646 -5.328 1.00 0.00 C ATOM 228 O PHE A 92 -5.026 1.717 -5.821 1.00 0.00 O ATOM 229 CB PHE A 92 -1.955 2.619 -4.717 1.00 0.00 C ATOM 230 CG PHE A 92 -0.659 2.154 -5.337 1.00 0.00 C ATOM 231 CD1 PHE A 92 -0.113 2.850 -6.424 1.00 0.00 C ATOM 232 CD2 PHE A 92 -0.014 1.021 -4.835 1.00 0.00 C ATOM 233 CE1 PHE A 92 1.079 2.407 -7.007 1.00 0.00 C ATOM 234 CE2 PHE A 92 1.177 0.581 -5.414 1.00 0.00 C ATOM 235 CZ PHE A 92 1.723 1.272 -6.503 1.00 0.00 C ATOM 0 H PHE A 92 -2.116 4.865 -5.716 1.00 0.00 H new ATOM 0 HA PHE A 92 -2.782 2.332 -6.700 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -1.777 3.500 -4.100 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -2.353 1.845 -4.061 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -0.611 3.727 -6.811 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -0.437 0.485 -3.998 1.00 0.00 H new ATOM 0 HE1 PHE A 92 1.502 2.941 -7.845 1.00 0.00 H new ATOM 0 HE2 PHE A 92 1.678 -0.292 -5.022 1.00 0.00 H new ATOM 0 HZ PHE A 92 2.642 0.928 -6.954 1.00 0.00 H new ATOM 245 N ASP A 93 -4.872 3.424 -4.364 1.00 0.00 N ATOM 246 CA ASP A 93 -6.214 3.204 -3.836 1.00 0.00 C ATOM 247 C ASP A 93 -7.210 3.150 -4.990 1.00 0.00 C ATOM 248 O ASP A 93 -7.788 4.168 -5.371 1.00 0.00 O ATOM 249 CB ASP A 93 -6.589 4.337 -2.880 1.00 0.00 C ATOM 250 CG ASP A 93 -7.961 4.075 -2.262 1.00 0.00 C ATOM 251 OD1 ASP A 93 -8.735 3.360 -2.868 1.00 0.00 O ATOM 252 OD2 ASP A 93 -8.208 4.578 -1.180 1.00 0.00 O ATOM 0 H ASP A 93 -4.364 4.200 -3.939 1.00 0.00 H new ATOM 0 HA ASP A 93 -6.238 2.260 -3.292 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -5.839 4.422 -2.094 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -6.599 5.286 -3.416 1.00 0.00 H new ATOM 257 N LYS A 94 -7.381 1.960 -5.558 1.00 0.00 N ATOM 258 CA LYS A 94 -8.278 1.781 -6.697 1.00 0.00 C ATOM 259 C LYS A 94 -9.581 2.542 -6.464 1.00 0.00 C ATOM 260 O LYS A 94 -10.015 3.339 -7.300 1.00 0.00 O ATOM 261 CB LYS A 94 -8.573 0.266 -6.885 1.00 0.00 C ATOM 262 CG LYS A 94 -8.226 -0.197 -8.308 1.00 0.00 C ATOM 263 CD LYS A 94 -6.714 -0.403 -8.421 1.00 0.00 C ATOM 264 CE LYS A 94 -6.361 -0.831 -9.842 1.00 0.00 C ATOM 265 NZ LYS A 94 -6.516 0.329 -10.763 1.00 0.00 N ATOM 0 H LYS A 94 -6.913 1.108 -5.250 1.00 0.00 H new ATOM 0 HA LYS A 94 -7.802 2.173 -7.596 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -7.997 -0.311 -6.162 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -9.626 0.070 -6.683 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -8.749 -1.125 -8.538 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -8.558 0.544 -9.035 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -6.191 0.519 -8.168 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -6.386 -1.161 -7.710 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -5.337 -1.203 -9.877 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -7.008 -1.649 -10.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -6.028 0.128 -11.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -7.526 0.493 -10.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -6.102 1.177 -10.326 1.00 0.00 H new ATOM 279 N ASP A 95 -10.187 2.279 -5.320 1.00 0.00 N ATOM 280 CA ASP A 95 -11.438 2.922 -4.954 1.00 0.00 C ATOM 281 C ASP A 95 -11.212 4.412 -4.711 1.00 0.00 C ATOM 282 O ASP A 95 -12.137 5.217 -4.817 1.00 0.00 O ATOM 283 CB ASP A 95 -11.985 2.261 -3.689 1.00 0.00 C ATOM 284 CG ASP A 95 -13.444 2.646 -3.474 1.00 0.00 C ATOM 285 OD1 ASP A 95 -14.257 2.312 -4.320 1.00 0.00 O ATOM 286 OD2 ASP A 95 -13.725 3.268 -2.464 1.00 0.00 O ATOM 0 H ASP A 95 -9.832 1.622 -4.625 1.00 0.00 H new ATOM 0 HA ASP A 95 -12.157 2.810 -5.766 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -11.897 1.178 -3.770 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -11.392 2.565 -2.827 1.00 0.00 H new ATOM 291 N GLY A 96 -9.972 4.767 -4.396 1.00 0.00 N ATOM 292 CA GLY A 96 -9.620 6.161 -4.152 1.00 0.00 C ATOM 293 C GLY A 96 -10.429 6.760 -3.007 1.00 0.00 C ATOM 294 O GLY A 96 -11.083 7.786 -3.187 1.00 0.00 O ATOM 0 H GLY A 96 -9.196 4.112 -4.304 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -8.557 6.232 -3.921 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -9.789 6.742 -5.059 1.00 0.00 H new ATOM 298 N ASN A 97 -10.383 6.122 -1.826 1.00 0.00 N ATOM 299 CA ASN A 97 -11.121 6.621 -0.660 1.00 0.00 C ATOM 300 C ASN A 97 -10.183 7.052 0.470 1.00 0.00 C ATOM 301 O ASN A 97 -10.627 7.278 1.596 1.00 0.00 O ATOM 302 CB ASN A 97 -12.104 5.558 -0.161 1.00 0.00 C ATOM 303 CG ASN A 97 -11.365 4.340 0.379 1.00 0.00 C ATOM 304 OD1 ASN A 97 -10.249 4.046 -0.052 1.00 0.00 O ATOM 305 ND2 ASN A 97 -11.932 3.610 1.305 1.00 0.00 N ATOM 0 H ASN A 97 -9.849 5.270 -1.657 1.00 0.00 H new ATOM 0 HA ASN A 97 -11.677 7.504 -0.976 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -12.736 5.980 0.620 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -12.763 5.256 -0.975 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -11.450 2.791 1.675 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -12.856 3.860 1.657 1.00 0.00 H new ATOM 312 N GLY A 98 -8.891 7.198 0.164 1.00 0.00 N ATOM 313 CA GLY A 98 -7.925 7.634 1.171 1.00 0.00 C ATOM 314 C GLY A 98 -7.543 6.496 2.108 1.00 0.00 C ATOM 315 O GLY A 98 -7.363 6.697 3.308 1.00 0.00 O ATOM 0 H GLY A 98 -8.495 7.023 -0.760 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -7.031 8.016 0.678 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -8.346 8.457 1.749 1.00 0.00 H new ATOM 319 N TYR A 99 -7.413 5.301 1.547 1.00 0.00 N ATOM 320 CA TYR A 99 -7.039 4.131 2.335 1.00 0.00 C ATOM 321 C TYR A 99 -6.450 3.062 1.423 1.00 0.00 C ATOM 322 O TYR A 99 -6.644 3.121 0.211 1.00 0.00 O ATOM 323 CB TYR A 99 -8.262 3.595 3.071 1.00 0.00 C ATOM 324 CG TYR A 99 -8.675 4.579 4.141 1.00 0.00 C ATOM 325 CD1 TYR A 99 -7.992 4.613 5.363 1.00 0.00 C ATOM 326 CD2 TYR A 99 -9.742 5.456 3.912 1.00 0.00 C ATOM 327 CE1 TYR A 99 -8.375 5.524 6.356 1.00 0.00 C ATOM 328 CE2 TYR A 99 -10.126 6.367 4.903 1.00 0.00 C ATOM 329 CZ TYR A 99 -9.444 6.402 6.125 1.00 0.00 C ATOM 330 OH TYR A 99 -9.823 7.299 7.104 1.00 0.00 O ATOM 0 H TYR A 99 -7.560 5.115 0.555 1.00 0.00 H new ATOM 0 HA TYR A 99 -6.286 4.413 3.070 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -9.082 3.438 2.370 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -8.035 2.627 3.519 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -7.169 3.936 5.540 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -10.269 5.430 2.970 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -7.848 5.550 7.298 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -10.949 7.043 4.725 1.00 0.00 H new ATOM 0 HH TYR A 99 -10.579 7.834 6.783 1.00 0.00 H new ATOM 340 N ILE A 100 -5.711 2.097 1.992 1.00 0.00 N ATOM 341 CA ILE A 100 -5.084 1.040 1.175 1.00 0.00 C ATOM 342 C ILE A 100 -5.444 -0.355 1.660 1.00 0.00 C ATOM 343 O ILE A 100 -5.095 -0.727 2.787 1.00 0.00 O ATOM 344 CB ILE A 100 -3.569 1.198 1.234 1.00 0.00 C ATOM 345 CG1 ILE A 100 -3.171 2.581 0.677 1.00 0.00 C ATOM 346 CG2 ILE A 100 -2.888 0.097 0.414 1.00 0.00 C ATOM 347 CD1 ILE A 100 -3.556 2.703 -0.807 1.00 0.00 C ATOM 0 H ILE A 100 -5.534 2.024 2.994 1.00 0.00 H new ATOM 0 HA ILE A 100 -5.455 1.149 0.156 1.00 0.00 H new ATOM 0 HB ILE A 100 -3.245 1.116 2.272 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -3.665 3.365 1.251 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -2.097 2.729 0.792 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -1.806 0.222 0.465 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -3.160 -0.878 0.818 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -3.213 0.163 -0.624 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.266 3.686 -1.178 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -3.042 1.932 -1.381 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -4.633 2.578 -0.915 1.00 0.00 H new ATOM 359 N SER A 101 -6.114 -1.125 0.781 1.00 0.00 N ATOM 360 CA SER A 101 -6.507 -2.504 1.089 1.00 0.00 C ATOM 361 C SER A 101 -5.520 -3.487 0.460 1.00 0.00 C ATOM 362 O SER A 101 -4.769 -3.133 -0.447 1.00 0.00 O ATOM 363 CB SER A 101 -7.913 -2.800 0.551 1.00 0.00 C ATOM 364 OG SER A 101 -8.801 -1.778 0.963 1.00 0.00 O ATOM 0 H SER A 101 -6.392 -0.810 -0.148 1.00 0.00 H new ATOM 0 HA SER A 101 -6.504 -2.620 2.173 1.00 0.00 H new ATOM 0 HB2 SER A 101 -7.892 -2.861 -0.537 1.00 0.00 H new ATOM 0 HB3 SER A 101 -8.258 -3.766 0.918 1.00 0.00 H new ATOM 0 HG SER A 101 -9.699 -1.966 0.618 1.00 0.00 H new ATOM 370 N ALA A 102 -5.528 -4.715 0.964 1.00 0.00 N ATOM 371 CA ALA A 102 -4.632 -5.764 0.473 1.00 0.00 C ATOM 372 C ALA A 102 -4.987 -6.191 -0.948 1.00 0.00 C ATOM 373 O ALA A 102 -4.102 -6.488 -1.749 1.00 0.00 O ATOM 374 CB ALA A 102 -4.690 -6.982 1.430 1.00 0.00 C ATOM 0 H ALA A 102 -6.148 -5.014 1.717 1.00 0.00 H new ATOM 0 HA ALA A 102 -3.619 -5.363 0.449 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -4.023 -7.763 1.065 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -4.378 -6.675 2.428 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -5.710 -7.365 1.470 1.00 0.00 H new ATOM 380 N ALA A 103 -6.271 -6.238 -1.250 1.00 0.00 N ATOM 381 CA ALA A 103 -6.713 -6.660 -2.567 1.00 0.00 C ATOM 382 C ALA A 103 -6.142 -5.773 -3.672 1.00 0.00 C ATOM 383 O ALA A 103 -5.810 -6.260 -4.760 1.00 0.00 O ATOM 384 CB ALA A 103 -8.240 -6.630 -2.620 1.00 0.00 C ATOM 0 H ALA A 103 -7.023 -5.991 -0.606 1.00 0.00 H new ATOM 0 HA ALA A 103 -6.348 -7.673 -2.737 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.576 -6.946 -3.607 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.644 -7.306 -1.866 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -8.591 -5.617 -2.425 1.00 0.00 H new ATOM 390 N GLU A 104 -6.039 -4.478 -3.402 1.00 0.00 N ATOM 391 CA GLU A 104 -5.523 -3.543 -4.389 1.00 0.00 C ATOM 392 C GLU A 104 -4.044 -3.798 -4.676 1.00 0.00 C ATOM 393 O GLU A 104 -3.583 -3.573 -5.795 1.00 0.00 O ATOM 394 CB GLU A 104 -5.697 -2.112 -3.877 1.00 0.00 C ATOM 395 CG GLU A 104 -7.173 -1.855 -3.579 1.00 0.00 C ATOM 396 CD GLU A 104 -7.380 -0.420 -3.095 1.00 0.00 C ATOM 397 OE1 GLU A 104 -6.649 0.000 -2.213 1.00 0.00 O ATOM 398 OE2 GLU A 104 -8.260 0.239 -3.619 1.00 0.00 O ATOM 0 H GLU A 104 -6.305 -4.055 -2.513 1.00 0.00 H new ATOM 0 HA GLU A 104 -6.082 -3.684 -5.314 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -5.101 -1.961 -2.977 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -5.336 -1.402 -4.621 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -7.767 -2.032 -4.476 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -7.524 -2.555 -2.821 1.00 0.00 H new ATOM 405 N LEU A 105 -3.298 -4.244 -3.662 1.00 0.00 N ATOM 406 CA LEU A 105 -1.868 -4.491 -3.841 1.00 0.00 C ATOM 407 C LEU A 105 -1.623 -5.605 -4.854 1.00 0.00 C ATOM 408 O LEU A 105 -0.867 -5.436 -5.804 1.00 0.00 O ATOM 409 CB LEU A 105 -1.249 -4.879 -2.503 1.00 0.00 C ATOM 410 CG LEU A 105 -1.692 -3.891 -1.417 1.00 0.00 C ATOM 411 CD1 LEU A 105 -0.884 -4.136 -0.138 1.00 0.00 C ATOM 412 CD2 LEU A 105 -1.480 -2.447 -1.887 1.00 0.00 C ATOM 0 H LEU A 105 -3.653 -4.438 -2.726 1.00 0.00 H new ATOM 0 HA LEU A 105 -1.407 -3.578 -4.217 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -1.552 -5.890 -2.232 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -0.162 -4.882 -2.583 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.752 -4.044 -1.217 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -1.200 -3.433 0.632 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -1.053 -5.155 0.209 1.00 0.00 H new ATOM 0 HD13 LEU A 105 0.177 -3.994 -0.345 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.800 -1.759 -1.104 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -0.424 -2.286 -2.103 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -2.066 -2.268 -2.789 1.00 0.00 H new ATOM 424 N ARG A 106 -2.252 -6.746 -4.650 1.00 0.00 N ATOM 425 CA ARG A 106 -2.070 -7.862 -5.567 1.00 0.00 C ATOM 426 C ARG A 106 -2.543 -7.491 -6.970 1.00 0.00 C ATOM 427 O ARG A 106 -1.850 -7.754 -7.952 1.00 0.00 O ATOM 428 CB ARG A 106 -2.836 -9.098 -5.074 1.00 0.00 C ATOM 429 CG ARG A 106 -4.258 -8.718 -4.642 1.00 0.00 C ATOM 430 CD ARG A 106 -4.890 -9.897 -3.909 1.00 0.00 C ATOM 431 NE ARG A 106 -4.250 -10.076 -2.616 1.00 0.00 N ATOM 432 CZ ARG A 106 -4.589 -11.077 -1.797 1.00 0.00 C ATOM 433 NH1 ARG A 106 -5.481 -11.966 -2.161 1.00 0.00 N ATOM 434 NH2 ARG A 106 -4.012 -11.177 -0.627 1.00 0.00 N ATOM 0 H ARG A 106 -2.885 -6.927 -3.871 1.00 0.00 H new ATOM 0 HA ARG A 106 -1.006 -8.095 -5.603 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -2.879 -9.845 -5.866 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -2.305 -9.551 -4.237 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -4.232 -7.842 -3.993 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -4.857 -8.452 -5.513 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -5.958 -9.723 -3.775 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -4.787 -10.804 -4.504 1.00 0.00 H new ATOM 0 HE ARG A 106 -3.524 -9.421 -2.326 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -5.924 -11.898 -3.077 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -5.732 -12.725 -1.528 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -3.309 -10.494 -0.345 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -4.265 -11.938 0.003 1.00 0.00 H new ATOM 448 N HIS A 107 -3.724 -6.885 -7.063 1.00 0.00 N ATOM 449 CA HIS A 107 -4.273 -6.493 -8.364 1.00 0.00 C ATOM 450 C HIS A 107 -3.411 -5.430 -9.042 1.00 0.00 C ATOM 451 O HIS A 107 -3.026 -5.583 -10.201 1.00 0.00 O ATOM 452 CB HIS A 107 -5.680 -5.935 -8.162 1.00 0.00 C ATOM 453 CG HIS A 107 -6.359 -5.704 -9.490 1.00 0.00 C ATOM 454 ND1 HIS A 107 -5.665 -5.675 -10.692 1.00 0.00 N ATOM 455 CD2 HIS A 107 -7.676 -5.476 -9.812 1.00 0.00 C ATOM 456 CE1 HIS A 107 -6.560 -5.436 -11.669 1.00 0.00 C ATOM 457 NE2 HIS A 107 -7.799 -5.306 -11.187 1.00 0.00 N ATOM 0 H HIS A 107 -4.316 -6.655 -6.264 1.00 0.00 H new ATOM 0 HA HIS A 107 -4.293 -7.375 -9.004 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -6.269 -6.629 -7.563 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -5.629 -4.999 -7.607 1.00 0.00 H new ATOM 0 HD1 HIS A 107 -4.661 -5.810 -10.813 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -8.491 -5.435 -9.105 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -6.307 -5.359 -12.716 1.00 0.00 H new ATOM 466 N VAL A 108 -3.112 -4.358 -8.323 1.00 0.00 N ATOM 467 CA VAL A 108 -2.299 -3.287 -8.893 1.00 0.00 C ATOM 468 C VAL A 108 -0.902 -3.807 -9.246 1.00 0.00 C ATOM 469 O VAL A 108 -0.406 -3.553 -10.338 1.00 0.00 O ATOM 470 CB VAL A 108 -2.206 -2.092 -7.923 1.00 0.00 C ATOM 471 CG1 VAL A 108 -1.177 -2.364 -6.836 1.00 0.00 C ATOM 472 CG2 VAL A 108 -1.801 -0.834 -8.686 1.00 0.00 C ATOM 0 H VAL A 108 -3.412 -4.205 -7.360 1.00 0.00 H new ATOM 0 HA VAL A 108 -2.781 -2.942 -9.808 1.00 0.00 H new ATOM 0 HB VAL A 108 -3.184 -1.948 -7.463 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.126 -1.509 -6.161 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -1.467 -3.252 -6.275 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.200 -2.525 -7.292 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -1.737 0.006 -7.995 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.831 -0.991 -9.157 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -2.545 -0.618 -9.452 1.00 0.00 H new ATOM 482 N MET A 109 -0.272 -4.521 -8.318 1.00 0.00 N ATOM 483 CA MET A 109 1.067 -5.036 -8.568 1.00 0.00 C ATOM 484 C MET A 109 1.051 -5.904 -9.823 1.00 0.00 C ATOM 485 O MET A 109 1.884 -5.744 -10.720 1.00 0.00 O ATOM 486 CB MET A 109 1.523 -5.874 -7.367 1.00 0.00 C ATOM 487 CG MET A 109 1.925 -4.955 -6.210 1.00 0.00 C ATOM 488 SD MET A 109 3.451 -4.071 -6.637 1.00 0.00 S ATOM 489 CE MET A 109 4.328 -4.323 -5.071 1.00 0.00 C ATOM 0 H MET A 109 -0.659 -4.752 -7.403 1.00 0.00 H new ATOM 0 HA MET A 109 1.757 -4.205 -8.712 1.00 0.00 H new ATOM 0 HB2 MET A 109 0.720 -6.540 -7.051 1.00 0.00 H new ATOM 0 HB3 MET A 109 2.366 -6.504 -7.652 1.00 0.00 H new ATOM 0 HG2 MET A 109 1.126 -4.243 -6.003 1.00 0.00 H new ATOM 0 HG3 MET A 109 2.073 -5.540 -5.302 1.00 0.00 H new ATOM 0 HE1 MET A 109 5.328 -3.895 -5.141 1.00 0.00 H new ATOM 0 HE2 MET A 109 3.780 -3.835 -4.265 1.00 0.00 H new ATOM 0 HE3 MET A 109 4.404 -5.391 -4.864 1.00 0.00 H new ATOM 499 N THR A 110 0.079 -6.806 -9.897 1.00 0.00 N ATOM 500 CA THR A 110 -0.050 -7.671 -11.063 1.00 0.00 C ATOM 501 C THR A 110 -0.373 -6.832 -12.299 1.00 0.00 C ATOM 502 O THR A 110 0.196 -7.043 -13.369 1.00 0.00 O ATOM 503 CB THR A 110 -1.153 -8.716 -10.835 1.00 0.00 C ATOM 504 OG1 THR A 110 -0.698 -9.683 -9.902 1.00 0.00 O ATOM 505 CG2 THR A 110 -1.512 -9.413 -12.161 1.00 0.00 C ATOM 0 H THR A 110 -0.623 -6.956 -9.173 1.00 0.00 H new ATOM 0 HA THR A 110 0.895 -8.191 -11.220 1.00 0.00 H new ATOM 0 HB THR A 110 -2.041 -8.216 -10.448 1.00 0.00 H new ATOM 0 HG1 THR A 110 -0.898 -9.379 -8.992 1.00 0.00 H new ATOM 0 HG21 THR A 110 -2.295 -10.151 -11.984 1.00 0.00 H new ATOM 0 HG22 THR A 110 -1.867 -8.672 -12.877 1.00 0.00 H new ATOM 0 HG23 THR A 110 -0.629 -9.910 -12.561 1.00 0.00 H new ATOM 513 N ASN A 111 -1.291 -5.883 -12.140 1.00 0.00 N ATOM 514 CA ASN A 111 -1.688 -5.016 -13.241 1.00 0.00 C ATOM 515 C ASN A 111 -0.492 -4.219 -13.738 1.00 0.00 C ATOM 516 O ASN A 111 -0.314 -4.016 -14.939 1.00 0.00 O ATOM 517 CB ASN A 111 -2.779 -4.059 -12.767 1.00 0.00 C ATOM 518 CG ASN A 111 -3.379 -3.309 -13.953 1.00 0.00 C ATOM 519 OD1 ASN A 111 -3.433 -3.840 -15.064 1.00 0.00 O ATOM 520 ND2 ASN A 111 -3.839 -2.098 -13.784 1.00 0.00 N ATOM 0 H ASN A 111 -1.772 -5.696 -11.260 1.00 0.00 H new ATOM 0 HA ASN A 111 -2.068 -5.630 -14.058 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -3.559 -4.615 -12.248 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -2.364 -3.349 -12.052 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -4.243 -1.591 -14.572 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -3.794 -1.659 -12.864 1.00 0.00 H new ATOM 527 N LEU A 112 0.329 -3.784 -12.799 1.00 0.00 N ATOM 528 CA LEU A 112 1.520 -3.013 -13.119 1.00 0.00 C ATOM 529 C LEU A 112 2.447 -3.835 -13.994 1.00 0.00 C ATOM 530 O LEU A 112 3.080 -3.306 -14.907 1.00 0.00 O ATOM 531 CB LEU A 112 2.242 -2.612 -11.823 1.00 0.00 C ATOM 532 CG LEU A 112 1.573 -1.373 -11.201 1.00 0.00 C ATOM 533 CD1 LEU A 112 1.997 -1.247 -9.727 1.00 0.00 C ATOM 534 CD2 LEU A 112 1.987 -0.096 -11.964 1.00 0.00 C ATOM 0 H LEU A 112 0.193 -3.952 -11.802 1.00 0.00 H new ATOM 0 HA LEU A 112 1.229 -2.112 -13.659 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.219 -3.440 -11.115 1.00 0.00 H new ATOM 0 HB3 LEU A 112 3.291 -2.401 -12.033 1.00 0.00 H new ATOM 0 HG LEU A 112 0.491 -1.488 -11.267 1.00 0.00 H new ATOM 0 HD11 LEU A 112 1.524 -0.370 -9.286 1.00 0.00 H new ATOM 0 HD12 LEU A 112 1.688 -2.139 -9.182 1.00 0.00 H new ATOM 0 HD13 LEU A 112 3.080 -1.143 -9.668 1.00 0.00 H new ATOM 0 HD21 LEU A 112 1.505 0.771 -11.511 1.00 0.00 H new ATOM 0 HD22 LEU A 112 3.069 0.023 -11.914 1.00 0.00 H new ATOM 0 HD23 LEU A 112 1.679 -0.179 -13.006 1.00 0.00 H new ATOM 546 N GLY A 113 2.527 -5.129 -13.712 1.00 0.00 N ATOM 547 CA GLY A 113 3.389 -6.021 -14.487 1.00 0.00 C ATOM 548 C GLY A 113 4.172 -6.954 -13.572 1.00 0.00 C ATOM 549 O GLY A 113 4.952 -7.778 -14.043 1.00 0.00 O ATOM 0 H GLY A 113 2.011 -5.585 -12.959 1.00 0.00 H new ATOM 0 HA2 GLY A 113 2.784 -6.607 -15.178 1.00 0.00 H new ATOM 0 HA3 GLY A 113 4.080 -5.432 -15.089 1.00 0.00 H new ATOM 553 N GLU A 114 3.956 -6.824 -12.262 1.00 0.00 N ATOM 554 CA GLU A 114 4.646 -7.668 -11.280 1.00 0.00 C ATOM 555 C GLU A 114 3.638 -8.473 -10.466 1.00 0.00 C ATOM 556 O GLU A 114 2.862 -7.911 -9.692 1.00 0.00 O ATOM 557 CB GLU A 114 5.483 -6.790 -10.349 1.00 0.00 C ATOM 558 CG GLU A 114 6.288 -7.675 -9.400 1.00 0.00 C ATOM 559 CD GLU A 114 7.163 -6.813 -8.497 1.00 0.00 C ATOM 560 OE1 GLU A 114 6.653 -5.847 -7.955 1.00 0.00 O ATOM 561 OE2 GLU A 114 8.331 -7.134 -8.360 1.00 0.00 O ATOM 0 H GLU A 114 3.312 -6.146 -11.856 1.00 0.00 H new ATOM 0 HA GLU A 114 5.298 -8.363 -11.809 1.00 0.00 H new ATOM 0 HB2 GLU A 114 6.154 -6.160 -10.932 1.00 0.00 H new ATOM 0 HB3 GLU A 114 4.835 -6.124 -9.780 1.00 0.00 H new ATOM 0 HG2 GLU A 114 5.614 -8.281 -8.795 1.00 0.00 H new ATOM 0 HG3 GLU A 114 6.910 -8.364 -9.972 1.00 0.00 H new ATOM 568 N LYS A 115 3.653 -9.795 -10.650 1.00 0.00 N ATOM 569 CA LYS A 115 2.732 -10.678 -9.934 1.00 0.00 C ATOM 570 C LYS A 115 3.311 -11.098 -8.582 1.00 0.00 C ATOM 571 O LYS A 115 4.081 -12.056 -8.493 1.00 0.00 O ATOM 572 CB LYS A 115 2.447 -11.924 -10.781 1.00 0.00 C ATOM 573 CG LYS A 115 1.657 -11.524 -12.032 1.00 0.00 C ATOM 574 CD LYS A 115 1.369 -12.765 -12.884 1.00 0.00 C ATOM 575 CE LYS A 115 0.592 -12.364 -14.144 1.00 0.00 C ATOM 576 NZ LYS A 115 0.381 -13.566 -14.998 1.00 0.00 N ATOM 0 H LYS A 115 4.290 -10.275 -11.286 1.00 0.00 H new ATOM 0 HA LYS A 115 1.805 -10.133 -9.756 1.00 0.00 H new ATOM 0 HB2 LYS A 115 3.383 -12.404 -11.067 1.00 0.00 H new ATOM 0 HB3 LYS A 115 1.881 -12.651 -10.198 1.00 0.00 H new ATOM 0 HG2 LYS A 115 0.722 -11.044 -11.744 1.00 0.00 H new ATOM 0 HG3 LYS A 115 2.223 -10.796 -12.613 1.00 0.00 H new ATOM 0 HD2 LYS A 115 2.304 -13.251 -13.162 1.00 0.00 H new ATOM 0 HD3 LYS A 115 0.794 -13.488 -12.306 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -0.368 -11.927 -13.869 1.00 0.00 H new ATOM 0 HE3 LYS A 115 1.142 -11.603 -14.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -0.146 -13.296 -15.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 1.302 -13.964 -15.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -0.161 -14.278 -14.468 1.00 0.00 H new ATOM 590 N LEU A 116 2.932 -10.368 -7.533 1.00 0.00 N ATOM 591 CA LEU A 116 3.407 -10.652 -6.180 1.00 0.00 C ATOM 592 C LEU A 116 2.674 -11.869 -5.609 1.00 0.00 C ATOM 593 O LEU A 116 1.921 -12.534 -6.317 1.00 0.00 O ATOM 594 CB LEU A 116 3.167 -9.419 -5.276 1.00 0.00 C ATOM 595 CG LEU A 116 4.330 -9.240 -4.278 1.00 0.00 C ATOM 596 CD1 LEU A 116 5.501 -8.516 -4.958 1.00 0.00 C ATOM 597 CD2 LEU A 116 3.856 -8.414 -3.078 1.00 0.00 C ATOM 0 H LEU A 116 2.295 -9.573 -7.595 1.00 0.00 H new ATOM 0 HA LEU A 116 4.474 -10.870 -6.215 1.00 0.00 H new ATOM 0 HB2 LEU A 116 3.068 -8.525 -5.891 1.00 0.00 H new ATOM 0 HB3 LEU A 116 2.230 -9.537 -4.732 1.00 0.00 H new ATOM 0 HG LEU A 116 4.660 -10.223 -3.941 1.00 0.00 H new ATOM 0 HD11 LEU A 116 6.317 -8.394 -4.245 1.00 0.00 H new ATOM 0 HD12 LEU A 116 5.847 -9.103 -5.809 1.00 0.00 H new ATOM 0 HD13 LEU A 116 5.172 -7.536 -5.303 1.00 0.00 H new ATOM 0 HD21 LEU A 116 4.679 -8.289 -2.374 1.00 0.00 H new ATOM 0 HD22 LEU A 116 3.519 -7.435 -3.420 1.00 0.00 H new ATOM 0 HD23 LEU A 116 3.032 -8.929 -2.584 1.00 0.00 H new ATOM 609 N THR A 117 2.892 -12.144 -4.319 1.00 0.00 N ATOM 610 CA THR A 117 2.234 -13.273 -3.654 1.00 0.00 C ATOM 611 C THR A 117 1.091 -12.769 -2.773 1.00 0.00 C ATOM 612 O THR A 117 1.289 -11.921 -1.899 1.00 0.00 O ATOM 613 CB THR A 117 3.250 -14.040 -2.793 1.00 0.00 C ATOM 614 OG1 THR A 117 4.085 -13.114 -2.124 1.00 0.00 O ATOM 615 CG2 THR A 117 4.110 -14.944 -3.680 1.00 0.00 C ATOM 0 H THR A 117 3.515 -11.604 -3.718 1.00 0.00 H new ATOM 0 HA THR A 117 1.831 -13.942 -4.414 1.00 0.00 H new ATOM 0 HB THR A 117 2.716 -14.653 -2.067 1.00 0.00 H new ATOM 0 HG1 THR A 117 4.868 -12.919 -2.680 1.00 0.00 H new ATOM 0 HG21 THR A 117 4.827 -15.484 -3.062 1.00 0.00 H new ATOM 0 HG22 THR A 117 3.471 -15.657 -4.201 1.00 0.00 H new ATOM 0 HG23 THR A 117 4.645 -14.336 -4.409 1.00 0.00 H new ATOM 623 N ASP A 118 -0.109 -13.290 -3.019 1.00 0.00 N ATOM 624 CA ASP A 118 -1.283 -12.882 -2.256 1.00 0.00 C ATOM 625 C ASP A 118 -1.084 -13.171 -0.769 1.00 0.00 C ATOM 626 O ASP A 118 -1.464 -12.370 0.088 1.00 0.00 O ATOM 627 CB ASP A 118 -2.522 -13.633 -2.750 1.00 0.00 C ATOM 628 CG ASP A 118 -2.955 -13.100 -4.115 1.00 0.00 C ATOM 629 OD1 ASP A 118 -2.465 -12.055 -4.504 1.00 0.00 O ATOM 630 OD2 ASP A 118 -3.769 -13.746 -4.749 1.00 0.00 O ATOM 0 H ASP A 118 -0.292 -13.991 -3.737 1.00 0.00 H new ATOM 0 HA ASP A 118 -1.424 -11.810 -2.398 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -2.306 -14.699 -2.820 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -3.335 -13.519 -2.033 1.00 0.00 H new ATOM 635 N GLU A 119 -0.491 -14.319 -0.468 1.00 0.00 N ATOM 636 CA GLU A 119 -0.256 -14.707 0.920 1.00 0.00 C ATOM 637 C GLU A 119 0.610 -13.658 1.626 1.00 0.00 C ATOM 638 O GLU A 119 0.368 -13.311 2.790 1.00 0.00 O ATOM 639 CB GLU A 119 0.439 -16.074 0.960 1.00 0.00 C ATOM 640 CG GLU A 119 -0.482 -17.125 0.339 1.00 0.00 C ATOM 641 CD GLU A 119 0.190 -18.500 0.341 1.00 0.00 C ATOM 642 OE1 GLU A 119 1.313 -18.592 0.812 1.00 0.00 O ATOM 643 OE2 GLU A 119 -0.429 -19.443 -0.128 1.00 0.00 O ATOM 0 H GLU A 119 -0.165 -14.995 -1.159 1.00 0.00 H new ATOM 0 HA GLU A 119 -1.213 -14.773 1.438 1.00 0.00 H new ATOM 0 HB2 GLU A 119 1.382 -16.032 0.415 1.00 0.00 H new ATOM 0 HB3 GLU A 119 0.677 -16.344 1.989 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -1.418 -17.171 0.896 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -0.733 -16.838 -0.682 1.00 0.00 H new ATOM 650 N GLU A 120 1.590 -13.120 0.905 1.00 0.00 N ATOM 651 CA GLU A 120 2.448 -12.079 1.469 1.00 0.00 C ATOM 652 C GLU A 120 1.674 -10.768 1.566 1.00 0.00 C ATOM 653 O GLU A 120 1.774 -10.051 2.558 1.00 0.00 O ATOM 654 CB GLU A 120 3.698 -11.879 0.609 1.00 0.00 C ATOM 655 CG GLU A 120 4.574 -13.135 0.678 1.00 0.00 C ATOM 656 CD GLU A 120 5.812 -12.964 -0.197 1.00 0.00 C ATOM 657 OE1 GLU A 120 5.980 -11.887 -0.747 1.00 0.00 O ATOM 658 OE2 GLU A 120 6.573 -13.911 -0.309 1.00 0.00 O ATOM 0 H GLU A 120 1.809 -13.381 -0.056 1.00 0.00 H new ATOM 0 HA GLU A 120 2.761 -12.392 2.465 1.00 0.00 H new ATOM 0 HB2 GLU A 120 3.413 -11.678 -0.424 1.00 0.00 H new ATOM 0 HB3 GLU A 120 4.258 -11.012 0.960 1.00 0.00 H new ATOM 0 HG2 GLU A 120 4.872 -13.323 1.709 1.00 0.00 H new ATOM 0 HG3 GLU A 120 4.004 -14.003 0.348 1.00 0.00 H new ATOM 665 N VAL A 121 0.886 -10.474 0.535 1.00 0.00 N ATOM 666 CA VAL A 121 0.076 -9.257 0.518 1.00 0.00 C ATOM 667 C VAL A 121 -0.777 -9.198 1.782 1.00 0.00 C ATOM 668 O VAL A 121 -0.589 -8.334 2.635 1.00 0.00 O ATOM 669 CB VAL A 121 -0.832 -9.257 -0.719 1.00 0.00 C ATOM 670 CG1 VAL A 121 -1.909 -8.180 -0.602 1.00 0.00 C ATOM 671 CG2 VAL A 121 0.002 -8.991 -1.971 1.00 0.00 C ATOM 0 H VAL A 121 0.791 -11.058 -0.296 1.00 0.00 H new ATOM 0 HA VAL A 121 0.731 -8.386 0.481 1.00 0.00 H new ATOM 0 HB VAL A 121 -1.312 -10.233 -0.789 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -2.540 -8.199 -1.490 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -2.519 -8.370 0.281 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -1.437 -7.202 -0.513 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -0.646 -8.992 -2.847 1.00 0.00 H new ATOM 0 HG22 VAL A 121 0.492 -8.021 -1.883 1.00 0.00 H new ATOM 0 HG23 VAL A 121 0.757 -9.770 -2.078 1.00 0.00 H new ATOM 681 N ASP A 122 -1.708 -10.140 1.894 1.00 0.00 N ATOM 682 CA ASP A 122 -2.586 -10.207 3.050 1.00 0.00 C ATOM 683 C ASP A 122 -1.772 -10.073 4.334 1.00 0.00 C ATOM 684 O ASP A 122 -2.168 -9.349 5.248 1.00 0.00 O ATOM 685 CB ASP A 122 -3.328 -11.542 3.036 1.00 0.00 C ATOM 686 CG ASP A 122 -4.445 -11.554 4.073 1.00 0.00 C ATOM 687 OD1 ASP A 122 -4.781 -10.492 4.571 1.00 0.00 O ATOM 688 OD2 ASP A 122 -4.951 -12.628 4.354 1.00 0.00 O ATOM 0 H ASP A 122 -1.872 -10.866 1.197 1.00 0.00 H new ATOM 0 HA ASP A 122 -3.306 -9.390 3.010 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -3.745 -11.721 2.045 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -2.629 -12.353 3.239 1.00 0.00 H new ATOM 693 N GLU A 123 -0.629 -10.759 4.397 1.00 0.00 N ATOM 694 CA GLU A 123 0.222 -10.677 5.580 1.00 0.00 C ATOM 695 C GLU A 123 0.872 -9.286 5.693 1.00 0.00 C ATOM 696 O GLU A 123 1.031 -8.763 6.787 1.00 0.00 O ATOM 697 CB GLU A 123 1.312 -11.745 5.528 1.00 0.00 C ATOM 698 CG GLU A 123 2.139 -11.710 6.820 1.00 0.00 C ATOM 699 CD GLU A 123 3.182 -12.824 6.805 1.00 0.00 C ATOM 700 OE1 GLU A 123 3.374 -13.415 5.755 1.00 0.00 O ATOM 701 OE2 GLU A 123 3.772 -13.070 7.845 1.00 0.00 O ATOM 0 H GLU A 123 -0.278 -11.366 3.656 1.00 0.00 H new ATOM 0 HA GLU A 123 -0.406 -10.845 6.455 1.00 0.00 H new ATOM 0 HB2 GLU A 123 0.863 -12.730 5.400 1.00 0.00 H new ATOM 0 HB3 GLU A 123 1.959 -11.575 4.667 1.00 0.00 H new ATOM 0 HG2 GLU A 123 2.631 -10.742 6.920 1.00 0.00 H new ATOM 0 HG3 GLU A 123 1.484 -11.826 7.684 1.00 0.00 H new ATOM 708 N MET A 124 1.255 -8.711 4.553 1.00 0.00 N ATOM 709 CA MET A 124 1.908 -7.397 4.526 1.00 0.00 C ATOM 710 C MET A 124 1.123 -6.365 5.329 1.00 0.00 C ATOM 711 O MET A 124 1.582 -5.883 6.366 1.00 0.00 O ATOM 712 CB MET A 124 2.013 -6.919 3.076 1.00 0.00 C ATOM 713 CG MET A 124 2.916 -5.689 2.993 1.00 0.00 C ATOM 714 SD MET A 124 2.919 -5.062 1.290 1.00 0.00 S ATOM 715 CE MET A 124 4.438 -5.876 0.733 1.00 0.00 C ATOM 0 H MET A 124 1.125 -9.133 3.634 1.00 0.00 H new ATOM 0 HA MET A 124 2.897 -7.501 4.973 1.00 0.00 H new ATOM 0 HB2 MET A 124 2.413 -7.717 2.450 1.00 0.00 H new ATOM 0 HB3 MET A 124 1.022 -6.679 2.691 1.00 0.00 H new ATOM 0 HG2 MET A 124 2.562 -4.917 3.676 1.00 0.00 H new ATOM 0 HG3 MET A 124 3.930 -5.946 3.300 1.00 0.00 H new ATOM 0 HE1 MET A 124 4.628 -5.618 -0.309 1.00 0.00 H new ATOM 0 HE2 MET A 124 5.275 -5.544 1.347 1.00 0.00 H new ATOM 0 HE3 MET A 124 4.327 -6.956 0.825 1.00 0.00 H new ATOM 725 N ILE A 125 -0.056 -6.025 4.843 1.00 0.00 N ATOM 726 CA ILE A 125 -0.896 -5.039 5.520 1.00 0.00 C ATOM 727 C ILE A 125 -1.169 -5.479 6.962 1.00 0.00 C ATOM 728 O ILE A 125 -1.214 -4.654 7.871 1.00 0.00 O ATOM 729 CB ILE A 125 -2.231 -4.865 4.762 1.00 0.00 C ATOM 730 CG1 ILE A 125 -2.009 -3.970 3.531 1.00 0.00 C ATOM 731 CG2 ILE A 125 -3.284 -4.224 5.691 1.00 0.00 C ATOM 732 CD1 ILE A 125 -3.312 -3.847 2.729 1.00 0.00 C ATOM 0 H ILE A 125 -0.457 -6.411 3.988 1.00 0.00 H new ATOM 0 HA ILE A 125 -0.370 -4.084 5.534 1.00 0.00 H new ATOM 0 HB ILE A 125 -2.591 -5.842 4.439 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -1.671 -2.982 3.845 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -1.224 -4.390 2.903 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -4.222 -4.105 5.149 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -3.444 -4.866 6.557 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -2.930 -3.248 6.023 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -3.145 -3.211 1.859 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -3.631 -4.836 2.400 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -4.086 -3.406 3.357 1.00 0.00 H new ATOM 744 N ARG A 126 -1.380 -6.769 7.153 1.00 0.00 N ATOM 745 CA ARG A 126 -1.683 -7.294 8.476 1.00 0.00 C ATOM 746 C ARG A 126 -0.630 -6.885 9.504 1.00 0.00 C ATOM 747 O ARG A 126 -0.973 -6.517 10.627 1.00 0.00 O ATOM 748 CB ARG A 126 -1.771 -8.821 8.398 1.00 0.00 C ATOM 749 CG ARG A 126 -3.119 -9.249 7.785 1.00 0.00 C ATOM 750 CD ARG A 126 -4.176 -9.346 8.880 1.00 0.00 C ATOM 751 NE ARG A 126 -5.422 -9.831 8.328 1.00 0.00 N ATOM 752 CZ ARG A 126 -6.459 -10.078 9.115 1.00 0.00 C ATOM 753 NH1 ARG A 126 -6.351 -9.887 10.406 1.00 0.00 N ATOM 754 NH2 ARG A 126 -7.576 -10.515 8.606 1.00 0.00 N ATOM 0 H ARG A 126 -1.348 -7.471 6.414 1.00 0.00 H new ATOM 0 HA ARG A 126 -2.636 -6.876 8.801 1.00 0.00 H new ATOM 0 HB2 ARG A 126 -0.950 -9.209 7.795 1.00 0.00 H new ATOM 0 HB3 ARG A 126 -1.665 -9.250 9.395 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -3.430 -8.528 7.029 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -3.012 -10.211 7.284 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -3.833 -10.016 9.668 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -4.328 -8.368 9.337 1.00 0.00 H new ATOM 0 HE ARG A 126 -5.503 -9.984 7.323 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -5.473 -9.550 10.800 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -7.145 -10.075 11.018 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -7.653 -10.667 7.600 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -8.373 -10.705 9.213 1.00 0.00 H new ATOM 768 N GLU A 127 0.644 -6.941 9.132 1.00 0.00 N ATOM 769 CA GLU A 127 1.706 -6.565 10.062 1.00 0.00 C ATOM 770 C GLU A 127 1.924 -5.054 10.056 1.00 0.00 C ATOM 771 O GLU A 127 2.215 -4.460 11.093 1.00 0.00 O ATOM 772 CB GLU A 127 3.007 -7.306 9.720 1.00 0.00 C ATOM 773 CG GLU A 127 3.412 -7.020 8.273 1.00 0.00 C ATOM 774 CD GLU A 127 4.816 -7.542 8.005 1.00 0.00 C ATOM 775 OE1 GLU A 127 5.624 -7.510 8.919 1.00 0.00 O ATOM 776 OE2 GLU A 127 5.066 -7.961 6.887 1.00 0.00 O ATOM 0 H GLU A 127 0.965 -7.237 8.210 1.00 0.00 H new ATOM 0 HA GLU A 127 1.400 -6.856 11.067 1.00 0.00 H new ATOM 0 HB2 GLU A 127 3.802 -6.992 10.397 1.00 0.00 H new ATOM 0 HB3 GLU A 127 2.872 -8.378 9.863 1.00 0.00 H new ATOM 0 HG2 GLU A 127 2.705 -7.491 7.590 1.00 0.00 H new ATOM 0 HG3 GLU A 127 3.373 -5.948 8.082 1.00 0.00 H new ATOM 783 N ALA A 128 1.779 -4.438 8.886 1.00 0.00 N ATOM 784 CA ALA A 128 1.964 -2.998 8.764 1.00 0.00 C ATOM 785 C ALA A 128 0.872 -2.248 9.520 1.00 0.00 C ATOM 786 O ALA A 128 1.155 -1.413 10.379 1.00 0.00 O ATOM 787 CB ALA A 128 1.947 -2.601 7.277 1.00 0.00 C ATOM 0 H ALA A 128 1.536 -4.911 8.016 1.00 0.00 H new ATOM 0 HA ALA A 128 2.926 -2.729 9.200 1.00 0.00 H new ATOM 0 HB1 ALA A 128 2.085 -1.524 7.186 1.00 0.00 H new ATOM 0 HB2 ALA A 128 2.753 -3.116 6.754 1.00 0.00 H new ATOM 0 HB3 ALA A 128 0.991 -2.882 6.836 1.00 0.00 H new ATOM 793 N ASP A 129 -0.376 -2.550 9.181 1.00 0.00 N ATOM 794 CA ASP A 129 -1.520 -1.897 9.814 1.00 0.00 C ATOM 795 C ASP A 129 -1.306 -1.791 11.316 1.00 0.00 C ATOM 796 O ASP A 129 -0.897 -2.756 11.960 1.00 0.00 O ATOM 797 CB ASP A 129 -2.787 -2.700 9.542 1.00 0.00 C ATOM 798 CG ASP A 129 -4.019 -1.859 9.848 1.00 0.00 C ATOM 799 OD1 ASP A 129 -4.002 -1.162 10.846 1.00 0.00 O ATOM 800 OD2 ASP A 129 -4.956 -1.921 9.076 1.00 0.00 O ATOM 0 H ASP A 129 -0.623 -3.241 8.473 1.00 0.00 H new ATOM 0 HA ASP A 129 -1.622 -0.895 9.397 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -2.806 -3.021 8.500 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -2.793 -3.602 10.154 1.00 0.00 H new ATOM 805 N ILE A 130 -1.567 -0.609 11.865 1.00 0.00 N ATOM 806 CA ILE A 130 -1.384 -0.379 13.304 1.00 0.00 C ATOM 807 C ILE A 130 -2.665 -0.666 14.065 1.00 0.00 C ATOM 808 O ILE A 130 -2.628 -1.074 15.224 1.00 0.00 O ATOM 809 CB ILE A 130 -0.944 1.069 13.565 1.00 0.00 C ATOM 810 CG1 ILE A 130 0.331 1.388 12.766 1.00 0.00 C ATOM 811 CG2 ILE A 130 -0.678 1.277 15.071 1.00 0.00 C ATOM 812 CD1 ILE A 130 1.589 0.898 13.505 1.00 0.00 C ATOM 0 H ILE A 130 -1.903 0.202 11.345 1.00 0.00 H new ATOM 0 HA ILE A 130 -0.607 -1.059 13.655 1.00 0.00 H new ATOM 0 HB ILE A 130 -1.742 1.739 13.245 1.00 0.00 H new ATOM 0 HG12 ILE A 130 0.276 0.916 11.785 1.00 0.00 H new ATOM 0 HG13 ILE A 130 0.399 2.463 12.600 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -0.366 2.307 15.247 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -1.589 1.073 15.633 1.00 0.00 H new ATOM 0 HG23 ILE A 130 0.110 0.599 15.398 1.00 0.00 H new ATOM 0 HD11 ILE A 130 2.474 1.138 12.915 1.00 0.00 H new ATOM 0 HD12 ILE A 130 1.655 1.390 14.476 1.00 0.00 H new ATOM 0 HD13 ILE A 130 1.530 -0.181 13.648 1.00 0.00 H new ATOM 824 N ASP A 131 -3.797 -0.448 13.404 1.00 0.00 N ATOM 825 CA ASP A 131 -5.106 -0.686 14.020 1.00 0.00 C ATOM 826 C ASP A 131 -5.741 -1.969 13.474 1.00 0.00 C ATOM 827 O ASP A 131 -6.781 -2.414 13.959 1.00 0.00 O ATOM 828 CB ASP A 131 -6.015 0.510 13.734 1.00 0.00 C ATOM 829 CG ASP A 131 -7.304 0.408 14.546 1.00 0.00 C ATOM 830 OD1 ASP A 131 -7.467 -0.576 15.248 1.00 0.00 O ATOM 831 OD2 ASP A 131 -8.104 1.323 14.458 1.00 0.00 O ATOM 0 H ASP A 131 -3.839 -0.108 12.443 1.00 0.00 H new ATOM 0 HA ASP A 131 -4.976 -0.805 15.096 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -5.496 1.436 13.980 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -6.250 0.549 12.670 1.00 0.00 H new ATOM 836 N GLY A 132 -5.111 -2.559 12.460 1.00 0.00 N ATOM 837 CA GLY A 132 -5.620 -3.788 11.856 1.00 0.00 C ATOM 838 C GLY A 132 -7.023 -3.574 11.296 1.00 0.00 C ATOM 839 O GLY A 132 -7.883 -4.452 11.388 1.00 0.00 O ATOM 0 H GLY A 132 -4.250 -2.207 12.041 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -4.951 -4.111 11.059 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -5.638 -4.584 12.600 1.00 0.00 H new ATOM 843 N ASP A 133 -7.248 -2.395 10.721 1.00 0.00 N ATOM 844 CA ASP A 133 -8.550 -2.051 10.153 1.00 0.00 C ATOM 845 C ASP A 133 -8.629 -2.445 8.677 1.00 0.00 C ATOM 846 O ASP A 133 -9.257 -1.756 7.873 1.00 0.00 O ATOM 847 CB ASP A 133 -8.783 -0.546 10.299 1.00 0.00 C ATOM 848 CG ASP A 133 -7.602 0.218 9.720 1.00 0.00 C ATOM 849 OD1 ASP A 133 -6.515 -0.325 9.738 1.00 0.00 O ATOM 850 OD2 ASP A 133 -7.801 1.332 9.268 1.00 0.00 O ATOM 0 H ASP A 133 -6.545 -1.661 10.636 1.00 0.00 H new ATOM 0 HA ASP A 133 -9.321 -2.602 10.692 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -9.700 -0.259 9.785 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -8.913 -0.289 11.350 1.00 0.00 H new ATOM 855 N GLY A 134 -7.994 -3.561 8.336 1.00 0.00 N ATOM 856 CA GLY A 134 -8.006 -4.056 6.961 1.00 0.00 C ATOM 857 C GLY A 134 -7.417 -3.040 5.995 1.00 0.00 C ATOM 858 O GLY A 134 -7.341 -3.290 4.792 1.00 0.00 O ATOM 0 H GLY A 134 -7.466 -4.140 8.989 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -7.439 -4.985 6.903 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -9.029 -4.288 6.666 1.00 0.00 H new ATOM 862 N GLN A 135 -6.987 -1.899 6.518 1.00 0.00 N ATOM 863 CA GLN A 135 -6.403 -0.863 5.676 1.00 0.00 C ATOM 864 C GLN A 135 -5.342 -0.088 6.443 1.00 0.00 C ATOM 865 O GLN A 135 -5.353 -0.058 7.673 1.00 0.00 O ATOM 866 CB GLN A 135 -7.489 0.096 5.178 1.00 0.00 C ATOM 867 CG GLN A 135 -8.399 -0.634 4.179 1.00 0.00 C ATOM 868 CD GLN A 135 -9.371 0.336 3.505 1.00 0.00 C ATOM 869 OE1 GLN A 135 -9.062 0.887 2.443 1.00 0.00 O ATOM 870 NE2 GLN A 135 -10.537 0.569 4.048 1.00 0.00 N ATOM 0 H GLN A 135 -7.031 -1.669 7.511 1.00 0.00 H new ATOM 0 HA GLN A 135 -5.935 -1.345 4.817 1.00 0.00 H new ATOM 0 HB2 GLN A 135 -8.076 0.465 6.019 1.00 0.00 H new ATOM 0 HB3 GLN A 135 -7.032 0.964 4.703 1.00 0.00 H new ATOM 0 HG2 GLN A 135 -7.790 -1.127 3.422 1.00 0.00 H new ATOM 0 HG3 GLN A 135 -8.959 -1.414 4.696 1.00 0.00 H new ATOM 0 HE21 GLN A 135 -10.791 0.114 4.925 1.00 0.00 H new ATOM 0 HE22 GLN A 135 -11.192 1.206 3.595 1.00 0.00 H new ATOM 879 N VAL A 136 -4.428 0.545 5.708 1.00 0.00 N ATOM 880 CA VAL A 136 -3.364 1.331 6.340 1.00 0.00 C ATOM 881 C VAL A 136 -3.225 2.683 5.644 1.00 0.00 C ATOM 882 O VAL A 136 -3.435 2.798 4.429 1.00 0.00 O ATOM 883 CB VAL A 136 -2.031 0.559 6.283 1.00 0.00 C ATOM 884 CG1 VAL A 136 -2.304 -0.932 6.390 1.00 0.00 C ATOM 885 CG2 VAL A 136 -1.298 0.845 4.976 1.00 0.00 C ATOM 0 H VAL A 136 -4.400 0.531 4.688 1.00 0.00 H new ATOM 0 HA VAL A 136 -3.624 1.502 7.385 1.00 0.00 H new ATOM 0 HB VAL A 136 -1.405 0.884 7.114 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -1.362 -1.478 6.350 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -2.806 -1.143 7.334 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -2.941 -1.246 5.563 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -0.360 0.290 4.956 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -1.920 0.537 4.135 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -1.090 1.912 4.901 1.00 0.00 H new ATOM 895 N ASN A 137 -2.878 3.698 6.424 1.00 0.00 N ATOM 896 CA ASN A 137 -2.713 5.038 5.880 1.00 0.00 C ATOM 897 C ASN A 137 -1.503 5.089 4.952 1.00 0.00 C ATOM 898 O ASN A 137 -1.105 4.075 4.380 1.00 0.00 O ATOM 899 CB ASN A 137 -2.550 6.047 7.013 1.00 0.00 C ATOM 900 CG ASN A 137 -3.743 5.960 7.957 1.00 0.00 C ATOM 901 OD1 ASN A 137 -4.889 5.960 7.507 1.00 0.00 O ATOM 902 ND2 ASN A 137 -3.539 5.883 9.245 1.00 0.00 N ATOM 0 H ASN A 137 -2.707 3.620 7.427 1.00 0.00 H new ATOM 0 HA ASN A 137 -3.603 5.294 5.305 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -1.628 5.849 7.559 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -2.469 7.055 6.606 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -4.332 5.822 9.884 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -2.587 5.883 9.612 1.00 0.00 H new ATOM 909 N TYR A 138 -0.931 6.280 4.792 1.00 0.00 N ATOM 910 CA TYR A 138 0.222 6.454 3.914 1.00 0.00 C ATOM 911 C TYR A 138 1.526 6.005 4.583 1.00 0.00 C ATOM 912 O TYR A 138 2.266 5.202 4.021 1.00 0.00 O ATOM 913 CB TYR A 138 0.329 7.927 3.509 1.00 0.00 C ATOM 914 CG TYR A 138 -0.986 8.384 2.910 1.00 0.00 C ATOM 915 CD1 TYR A 138 -1.307 8.055 1.587 1.00 0.00 C ATOM 916 CD2 TYR A 138 -1.883 9.135 3.681 1.00 0.00 C ATOM 917 CE1 TYR A 138 -2.527 8.478 1.037 1.00 0.00 C ATOM 918 CE2 TYR A 138 -3.102 9.557 3.130 1.00 0.00 C ATOM 919 CZ TYR A 138 -3.423 9.228 1.808 1.00 0.00 C ATOM 920 OH TYR A 138 -4.623 9.645 1.264 1.00 0.00 O ATOM 0 H TYR A 138 -1.245 7.133 5.255 1.00 0.00 H new ATOM 0 HA TYR A 138 0.073 5.828 3.034 1.00 0.00 H new ATOM 0 HB2 TYR A 138 0.576 8.537 4.378 1.00 0.00 H new ATOM 0 HB3 TYR A 138 1.135 8.059 2.787 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -0.617 7.477 0.991 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -1.636 9.389 4.701 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -2.775 8.224 0.017 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -3.793 10.136 3.726 1.00 0.00 H new ATOM 0 HH TYR A 138 -5.127 10.153 1.934 1.00 0.00 H new ATOM 930 N GLU A 139 1.801 6.521 5.785 1.00 0.00 N ATOM 931 CA GLU A 139 3.031 6.165 6.499 1.00 0.00 C ATOM 932 C GLU A 139 3.112 4.668 6.753 1.00 0.00 C ATOM 933 O GLU A 139 3.992 3.994 6.193 1.00 0.00 O ATOM 934 CB GLU A 139 3.111 6.938 7.813 1.00 0.00 C ATOM 935 CG GLU A 139 3.335 8.416 7.487 1.00 0.00 C ATOM 936 CD GLU A 139 3.324 9.237 8.767 1.00 0.00 C ATOM 937 OE1 GLU A 139 3.195 8.644 9.825 1.00 0.00 O ATOM 938 OE2 GLU A 139 3.447 10.448 8.674 1.00 0.00 O ATOM 0 H GLU A 139 1.197 7.178 6.279 1.00 0.00 H new ATOM 0 HA GLU A 139 3.880 6.438 5.873 1.00 0.00 H new ATOM 0 HB2 GLU A 139 2.192 6.810 8.385 1.00 0.00 H new ATOM 0 HB3 GLU A 139 3.926 6.557 8.429 1.00 0.00 H new ATOM 0 HG2 GLU A 139 4.287 8.543 6.971 1.00 0.00 H new ATOM 0 HG3 GLU A 139 2.557 8.770 6.811 1.00 0.00 H new ATOM 945 N GLU A 140 2.201 4.172 7.621 1.00 0.00 N ATOM 946 CA GLU A 140 2.142 2.745 7.979 1.00 0.00 C ATOM 947 C GLU A 140 2.599 1.902 6.788 1.00 0.00 C ATOM 948 O GLU A 140 3.178 0.826 6.948 1.00 0.00 O ATOM 949 CB GLU A 140 0.698 2.357 8.319 1.00 0.00 C ATOM 950 CG GLU A 140 0.239 3.061 9.598 1.00 0.00 C ATOM 951 CD GLU A 140 -1.229 2.743 9.865 1.00 0.00 C ATOM 952 OE1 GLU A 140 -1.988 2.687 8.914 1.00 0.00 O ATOM 953 OE2 GLU A 140 -1.572 2.564 11.020 1.00 0.00 O ATOM 0 H GLU A 140 1.496 4.745 8.085 1.00 0.00 H new ATOM 0 HA GLU A 140 2.789 2.568 8.838 1.00 0.00 H new ATOM 0 HB2 GLU A 140 0.039 2.625 7.493 1.00 0.00 H new ATOM 0 HB3 GLU A 140 0.626 1.277 8.446 1.00 0.00 H new ATOM 0 HG2 GLU A 140 0.850 2.738 10.441 1.00 0.00 H new ATOM 0 HG3 GLU A 140 0.375 4.138 9.500 1.00 0.00 H new ATOM 960 N PHE A 141 2.349 2.434 5.586 1.00 0.00 N ATOM 961 CA PHE A 141 2.748 1.774 4.352 1.00 0.00 C ATOM 962 C PHE A 141 4.169 2.178 3.956 1.00 0.00 C ATOM 963 O PHE A 141 5.013 1.311 3.736 1.00 0.00 O ATOM 964 CB PHE A 141 1.786 2.153 3.220 1.00 0.00 C ATOM 965 CG PHE A 141 1.720 1.032 2.211 1.00 0.00 C ATOM 966 CD1 PHE A 141 2.865 0.658 1.496 1.00 0.00 C ATOM 967 CD2 PHE A 141 0.512 0.361 1.995 1.00 0.00 C ATOM 968 CE1 PHE A 141 2.797 -0.388 0.569 1.00 0.00 C ATOM 969 CE2 PHE A 141 0.447 -0.677 1.071 1.00 0.00 C ATOM 970 CZ PHE A 141 1.587 -1.056 0.358 1.00 0.00 C ATOM 0 H PHE A 141 1.870 3.324 5.449 1.00 0.00 H new ATOM 0 HA PHE A 141 2.717 0.697 4.519 1.00 0.00 H new ATOM 0 HB2 PHE A 141 0.793 2.350 3.624 1.00 0.00 H new ATOM 0 HB3 PHE A 141 2.121 3.071 2.737 1.00 0.00 H new ATOM 0 HD1 PHE A 141 3.798 1.176 1.660 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -0.371 0.649 2.546 1.00 0.00 H new ATOM 0 HE1 PHE A 141 3.678 -0.679 0.017 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -0.488 -1.191 0.904 1.00 0.00 H new ATOM 0 HZ PHE A 141 1.534 -1.865 -0.356 1.00 0.00 H new ATOM 980 N VAL A 142 4.414 3.496 3.841 1.00 0.00 N ATOM 981 CA VAL A 142 5.734 4.005 3.436 1.00 0.00 C ATOM 982 C VAL A 142 6.839 3.098 3.954 1.00 0.00 C ATOM 983 O VAL A 142 7.598 2.524 3.176 1.00 0.00 O ATOM 984 CB VAL A 142 5.939 5.420 3.991 1.00 0.00 C ATOM 985 CG1 VAL A 142 7.409 5.842 3.847 1.00 0.00 C ATOM 986 CG2 VAL A 142 5.046 6.409 3.221 1.00 0.00 C ATOM 0 H VAL A 142 3.720 4.222 4.022 1.00 0.00 H new ATOM 0 HA VAL A 142 5.775 4.027 2.347 1.00 0.00 H new ATOM 0 HB VAL A 142 5.670 5.426 5.047 1.00 0.00 H new ATOM 0 HG11 VAL A 142 7.539 6.848 4.245 1.00 0.00 H new ATOM 0 HG12 VAL A 142 8.043 5.148 4.400 1.00 0.00 H new ATOM 0 HG13 VAL A 142 7.690 5.829 2.794 1.00 0.00 H new ATOM 0 HG21 VAL A 142 5.192 7.414 3.616 1.00 0.00 H new ATOM 0 HG22 VAL A 142 5.312 6.392 2.164 1.00 0.00 H new ATOM 0 HG23 VAL A 142 4.001 6.122 3.337 1.00 0.00 H new ATOM 996 N GLN A 143 6.938 2.982 5.276 1.00 0.00 N ATOM 997 CA GLN A 143 7.982 2.145 5.870 1.00 0.00 C ATOM 998 C GLN A 143 8.139 0.837 5.087 1.00 0.00 C ATOM 999 O GLN A 143 9.153 0.622 4.421 1.00 0.00 O ATOM 1000 CB GLN A 143 7.605 1.826 7.320 1.00 0.00 C ATOM 1001 CG GLN A 143 8.734 1.064 8.017 1.00 0.00 C ATOM 1002 CD GLN A 143 9.960 1.957 8.164 1.00 0.00 C ATOM 1003 OE1 GLN A 143 9.831 3.148 8.449 1.00 0.00 O ATOM 1004 NE2 GLN A 143 11.151 1.446 7.988 1.00 0.00 N ATOM 0 H GLN A 143 6.324 3.445 5.946 1.00 0.00 H new ATOM 0 HA GLN A 143 8.928 2.686 5.837 1.00 0.00 H new ATOM 0 HB2 GLN A 143 7.397 2.750 7.859 1.00 0.00 H new ATOM 0 HB3 GLN A 143 6.691 1.232 7.341 1.00 0.00 H new ATOM 0 HG2 GLN A 143 8.402 0.725 8.998 1.00 0.00 H new ATOM 0 HG3 GLN A 143 8.990 0.174 7.443 1.00 0.00 H new ATOM 0 HE21 GLN A 143 11.253 0.459 7.752 1.00 0.00 H new ATOM 0 HE22 GLN A 143 11.978 2.035 8.087 1.00 0.00 H new ATOM 1013 N MET A 144 7.135 -0.028 5.164 1.00 0.00 N ATOM 1014 CA MET A 144 7.186 -1.307 4.457 1.00 0.00 C ATOM 1015 C MET A 144 7.730 -1.112 3.041 1.00 0.00 C ATOM 1016 O MET A 144 8.625 -1.835 2.604 1.00 0.00 O ATOM 1017 CB MET A 144 5.783 -1.912 4.390 1.00 0.00 C ATOM 1018 CG MET A 144 5.331 -2.324 5.791 1.00 0.00 C ATOM 1019 SD MET A 144 6.318 -3.733 6.359 1.00 0.00 S ATOM 1020 CE MET A 144 5.421 -4.035 7.906 1.00 0.00 C ATOM 0 H MET A 144 6.283 0.128 5.702 1.00 0.00 H new ATOM 0 HA MET A 144 7.850 -1.982 4.998 1.00 0.00 H new ATOM 0 HB2 MET A 144 5.084 -1.188 3.970 1.00 0.00 H new ATOM 0 HB3 MET A 144 5.781 -2.778 3.728 1.00 0.00 H new ATOM 0 HG2 MET A 144 5.443 -1.487 6.481 1.00 0.00 H new ATOM 0 HG3 MET A 144 4.274 -2.589 5.780 1.00 0.00 H new ATOM 0 HE1 MET A 144 5.801 -4.942 8.376 1.00 0.00 H new ATOM 0 HE2 MET A 144 5.563 -3.190 8.580 1.00 0.00 H new ATOM 0 HE3 MET A 144 4.359 -4.154 7.693 1.00 0.00 H new ATOM 1030 N MET A 145 7.175 -0.137 2.328 1.00 0.00 N ATOM 1031 CA MET A 145 7.604 0.140 0.959 1.00 0.00 C ATOM 1032 C MET A 145 9.126 0.080 0.840 1.00 0.00 C ATOM 1033 O MET A 145 9.670 -0.819 0.198 1.00 0.00 O ATOM 1034 CB MET A 145 7.117 1.532 0.524 1.00 0.00 C ATOM 1035 CG MET A 145 7.029 1.616 -1.009 1.00 0.00 C ATOM 1036 SD MET A 145 7.254 3.336 -1.532 1.00 0.00 S ATOM 1037 CE MET A 145 5.635 3.950 -1.014 1.00 0.00 C ATOM 0 H MET A 145 6.432 0.472 2.671 1.00 0.00 H new ATOM 0 HA MET A 145 7.170 -0.621 0.311 1.00 0.00 H new ATOM 0 HB2 MET A 145 6.140 1.735 0.962 1.00 0.00 H new ATOM 0 HB3 MET A 145 7.799 2.296 0.898 1.00 0.00 H new ATOM 0 HG2 MET A 145 7.792 0.984 -1.463 1.00 0.00 H new ATOM 0 HG3 MET A 145 6.063 1.244 -1.350 1.00 0.00 H new ATOM 0 HE1 MET A 145 5.550 5.008 -1.263 1.00 0.00 H new ATOM 0 HE2 MET A 145 4.853 3.392 -1.529 1.00 0.00 H new ATOM 0 HE3 MET A 145 5.524 3.821 0.063 1.00 0.00 H new ATOM 1047 N THR A 146 9.810 1.046 1.461 1.00 0.00 N ATOM 1048 CA THR A 146 11.278 1.101 1.420 1.00 0.00 C ATOM 1049 C THR A 146 11.864 0.899 2.815 1.00 0.00 C ATOM 1050 O THR A 146 12.717 1.668 3.260 1.00 0.00 O ATOM 1051 CB THR A 146 11.742 2.450 0.850 1.00 0.00 C ATOM 1052 OG1 THR A 146 10.915 2.808 -0.248 1.00 0.00 O ATOM 1053 CG2 THR A 146 13.195 2.336 0.381 1.00 0.00 C ATOM 0 H THR A 146 9.375 1.798 1.996 1.00 0.00 H new ATOM 0 HA THR A 146 11.633 0.298 0.773 1.00 0.00 H new ATOM 0 HB THR A 146 11.671 3.215 1.623 1.00 0.00 H new ATOM 0 HG1 THR A 146 11.209 3.669 -0.612 1.00 0.00 H new ATOM 0 HG21 THR A 146 13.523 3.294 -0.023 1.00 0.00 H new ATOM 0 HG22 THR A 146 13.829 2.062 1.224 1.00 0.00 H new ATOM 0 HG23 THR A 146 13.269 1.571 -0.392 1.00 0.00 H new ATOM 1061 N ALA A 147 11.404 -0.148 3.491 1.00 0.00 N ATOM 1062 CA ALA A 147 11.886 -0.459 4.831 1.00 0.00 C ATOM 1063 C ALA A 147 13.375 -0.778 4.794 1.00 0.00 C ATOM 1064 O ALA A 147 13.859 -1.409 3.855 1.00 0.00 O ATOM 1065 CB ALA A 147 11.121 -1.659 5.385 1.00 0.00 C ATOM 0 H ALA A 147 10.700 -0.794 3.134 1.00 0.00 H new ATOM 0 HA ALA A 147 11.725 0.406 5.474 1.00 0.00 H new ATOM 0 HB1 ALA A 147 11.483 -1.890 6.387 1.00 0.00 H new ATOM 0 HB2 ALA A 147 10.058 -1.424 5.428 1.00 0.00 H new ATOM 0 HB3 ALA A 147 11.276 -2.521 4.736 1.00 0.00 H new ATOM 1071 N LYS A 148 14.105 -0.331 5.811 1.00 0.00 N ATOM 1072 CA LYS A 148 15.545 -0.577 5.860 1.00 0.00 C ATOM 1073 C LYS A 148 16.199 -0.116 4.558 1.00 0.00 C ATOM 1074 O LYS A 148 15.969 1.020 4.173 1.00 0.00 O ATOM 1075 CB LYS A 148 15.823 -2.071 6.086 1.00 0.00 C ATOM 1076 CG LYS A 148 15.359 -2.478 7.491 1.00 0.00 C ATOM 1077 CD LYS A 148 15.828 -3.908 7.814 1.00 0.00 C ATOM 1078 CE LYS A 148 15.018 -4.938 7.008 1.00 0.00 C ATOM 1079 NZ LYS A 148 15.246 -6.300 7.569 1.00 0.00 N ATOM 1080 OXT LYS A 148 16.907 -0.906 3.957 1.00 0.00 O ATOM 0 H LYS A 148 13.732 0.195 6.601 1.00 0.00 H new ATOM 0 HA LYS A 148 15.968 -0.012 6.690 1.00 0.00 H new ATOM 0 HB2 LYS A 148 15.303 -2.665 5.335 1.00 0.00 H new ATOM 0 HB3 LYS A 148 16.888 -2.274 5.971 1.00 0.00 H new ATOM 0 HG2 LYS A 148 15.757 -1.782 8.229 1.00 0.00 H new ATOM 0 HG3 LYS A 148 14.272 -2.421 7.553 1.00 0.00 H new ATOM 0 HD2 LYS A 148 16.888 -4.010 7.583 1.00 0.00 H new ATOM 0 HD3 LYS A 148 15.714 -4.102 8.881 1.00 0.00 H new ATOM 0 HE2 LYS A 148 13.957 -4.691 7.045 1.00 0.00 H new ATOM 0 HE3 LYS A 148 15.316 -4.911 5.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 14.698 -6.996 7.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 16.258 -6.534 7.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 14.941 -6.321 8.563 1.00 0.00 H new TER 1094 LYS A 148 HETATM 1095 CA CA A 201 -8.608 1.583 -0.510 1.00 0.00 CA HETATM 1096 CA CA A 202 -4.405 1.169 9.820 1.00 0.00 CA