USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 557 hydrogens (12 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 92 LYS NZ :NH3+ -161:sc= 0.485 (180deg=-0.151) USER MOD Set 1.2: A 93 SER OG : rot 121:sc= 1.8 USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot -95:sc= 0.693 USER MOD Single : A 103 MET CE :methyl -109:sc= -1.63! (180deg=-3.38!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= 0.203 K(o=0.2,f=-0.39) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ -116:sc= 0.431 (180deg=-0.469) USER MOD Single : A 120 MET CE :methyl -175:sc= -5! (180deg=-5.08!) USER MOD Single : A 122 GLN : amide:sc= -0.31 X(o=-0.31,f=-0.38) USER MOD Single : A 124 THR OG1 : rot 17:sc= 0.604 USER MOD Single : A 127 THR OG1 : rot -53:sc= 0.446 USER MOD Single : A 129 THR OG1 : rot 127:sc= 0.145 USER MOD Single : A 137 MET CE :methyl -132:sc= -3.21 (180deg=-7.83!) USER MOD Single : A 138 LYS NZ :NH3+ -160:sc=0.000985 (180deg=-0.689) USER MOD Single : A 142 LYS NZ :NH3+ 152:sc= 0.491 (180deg=-0.254) USER MOD Single : A 143 ASN : amide:sc= -0.47 K(o=-0.47,f=-4.2!) USER MOD Single : A 144 ASN : amide:sc= -0.0847 X(o=-0.085,f=0) USER MOD Single : A 150 TYR OH : rot 30:sc=-0.00302 USER MOD Single : A 157 MET CE :methyl -136:sc= -0.801 (180deg=-4.73!) USER MOD Single : A 158 LYS NZ :NH3+ -162:sc= 1.06 (180deg=0.773) USER MOD Single : A 162 STL O1 : rot 180:sc= -0.0357 USER MOD Single : A 162 STL O2 : rot 136:sc= 0.2 USER MOD Single : A 162 STL O3 : rot 180:sc= 0.00266 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 90 9.667 9.112 6.360 1.00 2.87 N ATOM 2 CA MET A 90 10.517 8.666 5.210 1.00 2.20 C ATOM 3 C MET A 90 9.641 8.126 4.065 1.00 1.76 C ATOM 4 O MET A 90 8.453 8.385 4.008 1.00 2.23 O ATOM 5 CB MET A 90 11.416 7.565 5.788 1.00 2.68 C ATOM 6 CG MET A 90 12.814 8.127 6.051 1.00 3.11 C ATOM 7 SD MET A 90 13.559 8.659 4.489 1.00 4.08 S ATOM 8 CE MET A 90 14.495 10.059 5.151 1.00 4.71 C ATOM 0 HA MET A 90 11.101 9.483 4.785 1.00 2.20 H new ATOM 0 HB2 MET A 90 10.988 7.181 6.714 1.00 2.68 H new ATOM 0 HB3 MET A 90 11.475 6.728 5.093 1.00 2.68 H new ATOM 0 HG2 MET A 90 12.755 8.968 6.742 1.00 3.11 H new ATOM 0 HG3 MET A 90 13.439 7.369 6.524 1.00 3.11 H new ATOM 0 HE1 MET A 90 15.043 10.545 4.344 1.00 4.71 H new ATOM 0 HE2 MET A 90 13.808 10.773 5.605 1.00 4.71 H new ATOM 0 HE3 MET A 90 15.199 9.703 5.904 1.00 4.71 H new ATOM 20 N GLY A 91 10.219 7.389 3.144 1.00 1.61 N ATOM 21 CA GLY A 91 9.423 6.841 2.000 1.00 1.31 C ATOM 22 C GLY A 91 9.177 5.341 2.204 1.00 1.37 C ATOM 23 O GLY A 91 10.018 4.520 1.892 1.00 1.61 O ATOM 0 H GLY A 91 11.209 7.144 3.136 1.00 1.61 H new ATOM 0 HA2 GLY A 91 8.471 7.367 1.923 1.00 1.31 H new ATOM 0 HA3 GLY A 91 9.955 7.007 1.063 1.00 1.31 H new ATOM 27 N LYS A 92 8.026 4.979 2.720 1.00 1.27 N ATOM 28 CA LYS A 92 7.715 3.532 2.942 1.00 1.47 C ATOM 29 C LYS A 92 6.232 3.275 2.622 1.00 1.40 C ATOM 30 O LYS A 92 5.896 2.758 1.574 1.00 1.56 O ATOM 31 CB LYS A 92 8.028 3.299 4.425 1.00 1.61 C ATOM 32 CG LYS A 92 7.570 1.902 4.856 1.00 1.94 C ATOM 33 CD LYS A 92 7.219 1.925 6.347 1.00 2.31 C ATOM 34 CE LYS A 92 6.284 0.759 6.679 1.00 2.59 C ATOM 35 NZ LYS A 92 5.327 1.313 7.678 1.00 3.20 N1+ ATOM 0 H LYS A 92 7.287 5.626 2.997 1.00 1.27 H new ATOM 0 HA LYS A 92 8.289 2.858 2.306 1.00 1.47 H new ATOM 0 HB2 LYS A 92 9.099 3.407 4.598 1.00 1.61 H new ATOM 0 HB3 LYS A 92 7.529 4.055 5.031 1.00 1.61 H new ATOM 0 HG2 LYS A 92 6.704 1.594 4.271 1.00 1.94 H new ATOM 0 HG3 LYS A 92 8.358 1.173 4.667 1.00 1.94 H new ATOM 0 HD2 LYS A 92 8.128 1.856 6.945 1.00 2.31 H new ATOM 0 HD3 LYS A 92 6.741 2.871 6.603 1.00 2.31 H new ATOM 0 HE2 LYS A 92 5.765 0.402 5.789 1.00 2.59 H new ATOM 0 HE3 LYS A 92 6.836 -0.087 7.087 1.00 2.59 H new ATOM 0 HZ1 LYS A 92 4.870 0.532 8.191 1.00 3.20 H new ATOM 0 HZ2 LYS A 92 5.839 1.918 8.351 1.00 3.20 H new ATOM 0 HZ3 LYS A 92 4.602 1.876 7.189 1.00 3.20 H new ATOM 49 N SER A 93 5.349 3.653 3.512 1.00 1.38 N ATOM 50 CA SER A 93 3.884 3.466 3.273 1.00 1.40 C ATOM 51 C SER A 93 3.134 4.670 3.849 1.00 1.20 C ATOM 52 O SER A 93 3.742 5.652 4.213 1.00 1.08 O ATOM 53 CB SER A 93 3.512 2.178 4.011 1.00 1.60 C ATOM 54 OG SER A 93 3.899 2.286 5.375 1.00 2.20 O ATOM 0 H SER A 93 5.583 4.088 4.404 1.00 1.38 H new ATOM 0 HA SER A 93 3.628 3.394 2.216 1.00 1.40 H new ATOM 0 HB2 SER A 93 2.439 2.002 3.939 1.00 1.60 H new ATOM 0 HB3 SER A 93 4.007 1.325 3.548 1.00 1.60 H new ATOM 0 HG SER A 93 3.111 2.181 5.948 1.00 2.20 H new ATOM 60 N GLU A 94 1.827 4.613 3.937 1.00 1.26 N ATOM 61 CA GLU A 94 1.061 5.779 4.494 1.00 1.17 C ATOM 62 C GLU A 94 1.578 6.185 5.885 1.00 1.12 C ATOM 63 O GLU A 94 1.405 7.317 6.301 1.00 1.09 O ATOM 64 CB GLU A 94 -0.397 5.318 4.554 1.00 1.33 C ATOM 65 CG GLU A 94 -1.173 5.982 3.410 1.00 1.28 C ATOM 66 CD GLU A 94 -0.994 5.176 2.121 1.00 1.44 C ATOM 67 OE1 GLU A 94 0.041 5.322 1.490 1.00 2.09 O ATOM 68 OE2 GLU A 94 -1.897 4.431 1.781 1.00 1.94 O ATOM 0 H GLU A 94 1.258 3.816 3.650 1.00 1.26 H new ATOM 0 HA GLU A 94 1.177 6.665 3.870 1.00 1.17 H new ATOM 0 HB2 GLU A 94 -0.453 4.233 4.468 1.00 1.33 H new ATOM 0 HB3 GLU A 94 -0.838 5.585 5.514 1.00 1.33 H new ATOM 0 HG2 GLU A 94 -2.231 6.045 3.665 1.00 1.28 H new ATOM 0 HG3 GLU A 94 -0.819 7.002 3.263 1.00 1.28 H new ATOM 75 N GLU A 95 2.239 5.296 6.593 1.00 1.19 N ATOM 76 CA GLU A 95 2.788 5.670 7.935 1.00 1.23 C ATOM 77 C GLU A 95 3.949 6.655 7.741 1.00 1.03 C ATOM 78 O GLU A 95 3.992 7.708 8.347 1.00 1.01 O ATOM 79 CB GLU A 95 3.288 4.361 8.563 1.00 1.45 C ATOM 80 CG GLU A 95 2.093 3.480 8.950 1.00 1.90 C ATOM 81 CD GLU A 95 2.270 2.081 8.357 1.00 2.12 C ATOM 82 OE1 GLU A 95 1.932 1.904 7.199 1.00 2.49 O ATOM 83 OE2 GLU A 95 2.746 1.212 9.067 1.00 2.66 O ATOM 0 H GLU A 95 2.420 4.336 6.301 1.00 1.19 H new ATOM 0 HA GLU A 95 2.045 6.148 8.573 1.00 1.23 H new ATOM 0 HB2 GLU A 95 3.929 3.831 7.859 1.00 1.45 H new ATOM 0 HB3 GLU A 95 3.892 4.577 9.444 1.00 1.45 H new ATOM 0 HG2 GLU A 95 2.011 3.418 10.035 1.00 1.90 H new ATOM 0 HG3 GLU A 95 1.167 3.925 8.586 1.00 1.90 H new ATOM 90 N GLU A 96 4.877 6.321 6.874 1.00 1.02 N ATOM 91 CA GLU A 96 6.035 7.231 6.600 1.00 0.94 C ATOM 92 C GLU A 96 5.639 8.286 5.555 1.00 0.79 C ATOM 93 O GLU A 96 6.151 9.388 5.551 1.00 0.82 O ATOM 94 CB GLU A 96 7.138 6.319 6.059 1.00 1.15 C ATOM 95 CG GLU A 96 7.650 5.415 7.184 1.00 1.62 C ATOM 96 CD GLU A 96 9.089 5.794 7.530 1.00 1.99 C ATOM 97 OE1 GLU A 96 9.271 6.801 8.194 1.00 2.78 O ATOM 98 OE2 GLU A 96 9.983 5.074 7.122 1.00 2.18 O ATOM 0 H GLU A 96 4.881 5.451 6.341 1.00 1.02 H new ATOM 0 HA GLU A 96 6.359 7.772 7.489 1.00 0.94 H new ATOM 0 HB2 GLU A 96 6.754 5.714 5.238 1.00 1.15 H new ATOM 0 HB3 GLU A 96 7.956 6.918 5.658 1.00 1.15 H new ATOM 0 HG2 GLU A 96 7.015 5.517 8.064 1.00 1.62 H new ATOM 0 HG3 GLU A 96 7.602 4.371 6.875 1.00 1.62 H new ATOM 105 N LEU A 97 4.713 7.951 4.682 1.00 0.77 N ATOM 106 CA LEU A 97 4.240 8.919 3.639 1.00 0.71 C ATOM 107 C LEU A 97 3.822 10.229 4.311 1.00 0.67 C ATOM 108 O LEU A 97 4.150 11.308 3.855 1.00 0.75 O ATOM 109 CB LEU A 97 3.011 8.237 3.011 1.00 0.80 C ATOM 110 CG LEU A 97 3.343 7.605 1.650 1.00 0.77 C ATOM 111 CD1 LEU A 97 2.984 8.589 0.540 1.00 1.40 C ATOM 112 CD2 LEU A 97 4.834 7.247 1.558 1.00 1.22 C ATOM 0 H LEU A 97 4.261 7.037 4.649 1.00 0.77 H new ATOM 0 HA LEU A 97 5.007 9.155 2.902 1.00 0.71 H new ATOM 0 HB2 LEU A 97 2.637 7.468 3.687 1.00 0.80 H new ATOM 0 HB3 LEU A 97 2.213 8.969 2.887 1.00 0.80 H new ATOM 0 HG LEU A 97 2.764 6.688 1.540 1.00 0.77 H new ATOM 0 HD11 LEU A 97 3.217 8.146 -0.428 1.00 1.40 H new ATOM 0 HD12 LEU A 97 1.919 8.818 0.587 1.00 1.40 H new ATOM 0 HD13 LEU A 97 3.559 9.507 0.667 1.00 1.40 H new ATOM 0 HD21 LEU A 97 5.042 6.802 0.585 1.00 1.22 H new ATOM 0 HD22 LEU A 97 5.433 8.150 1.679 1.00 1.22 H new ATOM 0 HD23 LEU A 97 5.087 6.536 2.344 1.00 1.22 H new ATOM 124 N SER A 98 3.102 10.124 5.400 1.00 0.69 N ATOM 125 CA SER A 98 2.644 11.336 6.144 1.00 0.76 C ATOM 126 C SER A 98 3.826 12.282 6.422 1.00 0.72 C ATOM 127 O SER A 98 3.706 13.487 6.287 1.00 0.77 O ATOM 128 CB SER A 98 2.051 10.779 7.442 1.00 0.92 C ATOM 129 OG SER A 98 3.102 10.412 8.332 1.00 1.57 O ATOM 0 H SER A 98 2.809 9.237 5.810 1.00 0.69 H new ATOM 0 HA SER A 98 1.919 11.927 5.585 1.00 0.76 H new ATOM 0 HB2 SER A 98 1.410 11.526 7.910 1.00 0.92 H new ATOM 0 HB3 SER A 98 1.426 9.913 7.225 1.00 0.92 H new ATOM 0 HG SER A 98 3.300 9.458 8.229 1.00 1.57 H new ATOM 135 N ASP A 99 4.968 11.742 6.789 1.00 0.80 N ATOM 136 CA ASP A 99 6.167 12.600 7.058 1.00 0.86 C ATOM 137 C ASP A 99 6.674 13.224 5.749 1.00 0.81 C ATOM 138 O ASP A 99 7.022 14.388 5.705 1.00 0.91 O ATOM 139 CB ASP A 99 7.212 11.645 7.651 1.00 1.02 C ATOM 140 CG ASP A 99 8.576 12.336 7.709 1.00 1.23 C ATOM 141 OD1 ASP A 99 8.744 13.207 8.545 1.00 1.83 O ATOM 142 OD2 ASP A 99 9.430 11.979 6.916 1.00 1.79 O ATOM 0 H ASP A 99 5.120 10.741 6.914 1.00 0.80 H new ATOM 0 HA ASP A 99 5.946 13.426 7.734 1.00 0.86 H new ATOM 0 HB2 ASP A 99 6.909 11.336 8.651 1.00 1.02 H new ATOM 0 HB3 ASP A 99 7.278 10.742 7.044 1.00 1.02 H new ATOM 147 N LEU A 100 6.700 12.461 4.679 1.00 0.75 N ATOM 148 CA LEU A 100 7.165 13.013 3.365 1.00 0.76 C ATOM 149 C LEU A 100 6.262 14.180 2.925 1.00 0.68 C ATOM 150 O LEU A 100 6.637 14.980 2.094 1.00 0.79 O ATOM 151 CB LEU A 100 7.062 11.842 2.377 1.00 0.86 C ATOM 152 CG LEU A 100 7.926 12.124 1.139 1.00 0.79 C ATOM 153 CD1 LEU A 100 9.286 11.442 1.299 1.00 1.41 C ATOM 154 CD2 LEU A 100 7.236 11.574 -0.117 1.00 1.41 C ATOM 0 H LEU A 100 6.419 11.481 4.660 1.00 0.75 H new ATOM 0 HA LEU A 100 8.180 13.406 3.420 1.00 0.76 H new ATOM 0 HB2 LEU A 100 7.390 10.920 2.857 1.00 0.86 H new ATOM 0 HB3 LEU A 100 6.023 11.695 2.080 1.00 0.86 H new ATOM 0 HG LEU A 100 8.060 13.201 1.038 1.00 0.79 H new ATOM 0 HD11 LEU A 100 9.899 11.642 0.420 1.00 1.41 H new ATOM 0 HD12 LEU A 100 9.786 11.831 2.186 1.00 1.41 H new ATOM 0 HD13 LEU A 100 9.144 10.367 1.405 1.00 1.41 H new ATOM 0 HD21 LEU A 100 7.855 11.778 -0.991 1.00 1.41 H new ATOM 0 HD22 LEU A 100 7.097 10.498 -0.014 1.00 1.41 H new ATOM 0 HD23 LEU A 100 6.266 12.055 -0.239 1.00 1.41 H new ATOM 166 N PHE A 101 5.075 14.280 3.478 1.00 0.60 N ATOM 167 CA PHE A 101 4.149 15.393 3.101 1.00 0.59 C ATOM 168 C PHE A 101 4.302 16.587 4.063 1.00 0.60 C ATOM 169 O PHE A 101 4.469 17.716 3.641 1.00 0.72 O ATOM 170 CB PHE A 101 2.748 14.782 3.212 1.00 0.61 C ATOM 171 CG PHE A 101 1.716 15.762 2.704 1.00 0.58 C ATOM 172 CD1 PHE A 101 1.353 15.758 1.353 1.00 0.68 C ATOM 173 CD2 PHE A 101 1.119 16.669 3.586 1.00 0.86 C ATOM 174 CE1 PHE A 101 0.394 16.662 0.883 1.00 0.73 C ATOM 175 CE2 PHE A 101 0.161 17.574 3.117 1.00 0.90 C ATOM 176 CZ PHE A 101 -0.202 17.570 1.764 1.00 0.69 C ATOM 0 H PHE A 101 4.708 13.635 4.177 1.00 0.60 H new ATOM 0 HA PHE A 101 4.355 15.780 2.103 1.00 0.59 H new ATOM 0 HB2 PHE A 101 2.699 13.858 2.636 1.00 0.61 H new ATOM 0 HB3 PHE A 101 2.536 14.523 4.249 1.00 0.61 H new ATOM 0 HD1 PHE A 101 1.813 15.057 0.673 1.00 0.68 H new ATOM 0 HD2 PHE A 101 1.398 16.671 4.629 1.00 0.86 H new ATOM 0 HE1 PHE A 101 0.114 16.659 -0.160 1.00 0.73 H new ATOM 0 HE2 PHE A 101 -0.299 18.275 3.798 1.00 0.90 H new ATOM 0 HZ PHE A 101 -0.942 18.268 1.401 1.00 0.69 H new ATOM 186 N ARG A 102 4.219 16.344 5.352 1.00 0.67 N ATOM 187 CA ARG A 102 4.327 17.463 6.352 1.00 0.76 C ATOM 188 C ARG A 102 5.780 17.933 6.554 1.00 0.68 C ATOM 189 O ARG A 102 6.020 19.088 6.847 1.00 0.78 O ATOM 190 CB ARG A 102 3.757 16.894 7.663 1.00 0.99 C ATOM 191 CG ARG A 102 4.573 15.676 8.124 1.00 1.30 C ATOM 192 CD ARG A 102 5.659 16.117 9.110 1.00 1.45 C ATOM 193 NE ARG A 102 5.369 15.371 10.368 1.00 2.12 N ATOM 194 CZ ARG A 102 6.347 14.851 11.051 1.00 2.71 C ATOM 195 NH1 ARG A 102 6.881 13.728 10.666 1.00 3.37 N1+ ATOM 196 NH2 ARG A 102 6.785 15.452 12.122 1.00 3.07 N ATOM 0 H ARG A 102 4.081 15.418 5.757 1.00 0.67 H new ATOM 0 HA ARG A 102 3.783 18.342 6.006 1.00 0.76 H new ATOM 0 HB2 ARG A 102 3.772 17.662 8.436 1.00 0.99 H new ATOM 0 HB3 ARG A 102 2.715 16.607 7.519 1.00 0.99 H new ATOM 0 HG2 ARG A 102 3.916 14.945 8.596 1.00 1.30 H new ATOM 0 HG3 ARG A 102 5.029 15.186 7.263 1.00 1.30 H new ATOM 0 HD2 ARG A 102 6.654 15.881 8.732 1.00 1.45 H new ATOM 0 HD3 ARG A 102 5.628 17.194 9.275 1.00 1.45 H new ATOM 0 HE ARG A 102 4.407 15.269 10.692 1.00 2.12 H new ATOM 0 HH11 ARG A 102 6.533 13.258 9.831 1.00 3.37 H new ATOM 0 HH12 ARG A 102 7.648 13.318 11.200 1.00 3.37 H new ATOM 0 HH21 ARG A 102 6.361 16.329 12.424 1.00 3.07 H new ATOM 0 HH22 ARG A 102 7.552 15.045 12.658 1.00 3.07 H new ATOM 210 N MET A 103 6.745 17.056 6.417 1.00 0.71 N ATOM 211 CA MET A 103 8.173 17.467 6.623 1.00 0.75 C ATOM 212 C MET A 103 8.803 18.007 5.325 1.00 0.68 C ATOM 213 O MET A 103 9.919 18.490 5.333 1.00 0.83 O ATOM 214 CB MET A 103 8.888 16.186 7.072 1.00 0.93 C ATOM 215 CG MET A 103 10.152 16.546 7.857 1.00 1.27 C ATOM 216 SD MET A 103 9.695 17.370 9.401 1.00 1.82 S ATOM 217 CE MET A 103 10.031 19.061 8.853 1.00 2.43 C ATOM 0 H MET A 103 6.608 16.075 6.172 1.00 0.71 H new ATOM 0 HA MET A 103 8.255 18.272 7.353 1.00 0.75 H new ATOM 0 HB2 MET A 103 8.222 15.585 7.692 1.00 0.93 H new ATOM 0 HB3 MET A 103 9.148 15.580 6.204 1.00 0.93 H new ATOM 0 HG2 MET A 103 10.728 15.646 8.070 1.00 1.27 H new ATOM 0 HG3 MET A 103 10.789 17.198 7.260 1.00 1.27 H new ATOM 0 HE1 MET A 103 10.922 19.436 9.357 1.00 2.43 H new ATOM 0 HE2 MET A 103 10.193 19.069 7.775 1.00 2.43 H new ATOM 0 HE3 MET A 103 9.181 19.698 9.097 1.00 2.43 H new ATOM 227 N PHE A 104 8.116 17.919 4.212 1.00 0.68 N ATOM 228 CA PHE A 104 8.700 18.416 2.925 1.00 0.79 C ATOM 229 C PHE A 104 8.186 19.822 2.561 1.00 0.71 C ATOM 230 O PHE A 104 8.836 20.541 1.825 1.00 0.88 O ATOM 231 CB PHE A 104 8.246 17.391 1.884 1.00 0.94 C ATOM 232 CG PHE A 104 9.264 16.267 1.771 1.00 1.31 C ATOM 233 CD1 PHE A 104 10.053 15.897 2.873 1.00 2.03 C ATOM 234 CD2 PHE A 104 9.412 15.591 0.555 1.00 1.26 C ATOM 235 CE1 PHE A 104 10.985 14.859 2.752 1.00 2.65 C ATOM 236 CE2 PHE A 104 10.344 14.552 0.436 1.00 1.86 C ATOM 237 CZ PHE A 104 11.130 14.187 1.534 1.00 2.56 C ATOM 0 H PHE A 104 7.178 17.525 4.138 1.00 0.68 H new ATOM 0 HA PHE A 104 9.784 18.511 2.986 1.00 0.79 H new ATOM 0 HB2 PHE A 104 7.274 16.984 2.164 1.00 0.94 H new ATOM 0 HB3 PHE A 104 8.121 17.876 0.916 1.00 0.94 H new ATOM 0 HD1 PHE A 104 9.941 16.414 3.815 1.00 2.03 H new ATOM 0 HD2 PHE A 104 8.806 15.871 -0.294 1.00 1.26 H new ATOM 0 HE1 PHE A 104 11.592 14.577 3.600 1.00 2.65 H new ATOM 0 HE2 PHE A 104 10.456 14.032 -0.504 1.00 1.86 H new ATOM 0 HZ PHE A 104 11.849 13.386 1.441 1.00 2.56 H new ATOM 247 N ASP A 105 7.033 20.221 3.057 1.00 0.61 N ATOM 248 CA ASP A 105 6.499 21.581 2.716 1.00 0.60 C ATOM 249 C ASP A 105 7.430 22.682 3.251 1.00 0.56 C ATOM 250 O ASP A 105 7.446 22.981 4.430 1.00 0.63 O ATOM 251 CB ASP A 105 5.115 21.664 3.378 1.00 0.68 C ATOM 252 CG ASP A 105 4.244 22.676 2.624 1.00 0.86 C ATOM 253 OD1 ASP A 105 3.570 22.271 1.693 1.00 1.45 O ATOM 254 OD2 ASP A 105 4.265 23.838 2.988 1.00 0.84 O ATOM 0 H ASP A 105 6.444 19.667 3.679 1.00 0.61 H new ATOM 0 HA ASP A 105 6.434 21.727 1.638 1.00 0.60 H new ATOM 0 HB2 ASP A 105 4.639 20.684 3.372 1.00 0.68 H new ATOM 0 HB3 ASP A 105 5.217 21.963 4.421 1.00 0.68 H new ATOM 259 N LYS A 106 8.201 23.285 2.380 1.00 0.59 N ATOM 260 CA LYS A 106 9.136 24.374 2.811 1.00 0.66 C ATOM 261 C LYS A 106 8.393 25.719 2.890 1.00 0.55 C ATOM 262 O LYS A 106 8.807 26.623 3.592 1.00 0.63 O ATOM 263 CB LYS A 106 10.217 24.410 1.724 1.00 0.87 C ATOM 264 CG LYS A 106 11.484 25.074 2.272 1.00 1.21 C ATOM 265 CD LYS A 106 12.377 25.516 1.105 1.00 1.61 C ATOM 266 CE LYS A 106 13.852 25.428 1.519 1.00 1.77 C ATOM 267 NZ LYS A 106 14.344 24.135 0.958 1.00 2.14 N1+ ATOM 0 H LYS A 106 8.224 23.069 1.383 1.00 0.59 H new ATOM 0 HA LYS A 106 9.557 24.195 3.800 1.00 0.66 H new ATOM 0 HB2 LYS A 106 10.442 23.398 1.389 1.00 0.87 H new ATOM 0 HB3 LYS A 106 9.854 24.960 0.856 1.00 0.87 H new ATOM 0 HG2 LYS A 106 11.219 25.934 2.887 1.00 1.21 H new ATOM 0 HG3 LYS A 106 12.024 24.377 2.913 1.00 1.21 H new ATOM 0 HD2 LYS A 106 12.195 24.884 0.236 1.00 1.61 H new ATOM 0 HD3 LYS A 106 12.132 26.537 0.813 1.00 1.61 H new ATOM 0 HE2 LYS A 106 14.422 26.270 1.125 1.00 1.77 H new ATOM 0 HE3 LYS A 106 13.958 25.451 2.604 1.00 1.77 H new ATOM 0 HZ1 LYS A 106 15.347 24.009 1.203 1.00 2.14 H new ATOM 0 HZ2 LYS A 106 13.789 23.350 1.356 1.00 2.14 H new ATOM 0 HZ3 LYS A 106 14.239 24.143 -0.077 1.00 2.14 H new ATOM 281 N ASN A 107 7.298 25.852 2.181 1.00 0.48 N ATOM 282 CA ASN A 107 6.516 27.125 2.211 1.00 0.50 C ATOM 283 C ASN A 107 5.762 27.270 3.552 1.00 0.58 C ATOM 284 O ASN A 107 5.425 28.365 3.960 1.00 0.70 O ATOM 285 CB ASN A 107 5.534 27.001 1.043 1.00 0.54 C ATOM 286 CG ASN A 107 4.955 28.372 0.691 1.00 0.70 C ATOM 287 OD1 ASN A 107 5.676 29.343 0.577 1.00 1.00 O ATOM 288 ND2 ASN A 107 3.670 28.494 0.504 1.00 0.78 N ATOM 0 H ASN A 107 6.911 25.126 1.578 1.00 0.48 H new ATOM 0 HA ASN A 107 7.152 28.006 2.122 1.00 0.50 H new ATOM 0 HB2 ASN A 107 6.041 26.579 0.175 1.00 0.54 H new ATOM 0 HB3 ASN A 107 4.729 26.315 1.307 1.00 0.54 H new ATOM 0 HD21 ASN A 107 3.274 29.402 0.263 1.00 0.78 H new ATOM 0 HD22 ASN A 107 3.061 27.681 0.599 1.00 0.78 H new ATOM 295 N ALA A 108 5.507 26.166 4.232 1.00 0.65 N ATOM 296 CA ALA A 108 4.786 26.191 5.555 1.00 0.84 C ATOM 297 C ALA A 108 3.304 26.572 5.387 1.00 0.78 C ATOM 298 O ALA A 108 2.950 27.735 5.345 1.00 0.96 O ATOM 299 CB ALA A 108 5.522 27.229 6.414 1.00 1.03 C ATOM 0 H ALA A 108 5.774 25.233 3.918 1.00 0.65 H new ATOM 0 HA ALA A 108 4.791 25.205 6.020 1.00 0.84 H new ATOM 0 HB1 ALA A 108 5.046 27.296 7.392 1.00 1.03 H new ATOM 0 HB2 ALA A 108 6.562 26.928 6.537 1.00 1.03 H new ATOM 0 HB3 ALA A 108 5.481 28.202 5.924 1.00 1.03 H new ATOM 305 N ASP A 109 2.438 25.586 5.311 1.00 0.73 N ATOM 306 CA ASP A 109 0.969 25.861 5.168 1.00 0.74 C ATOM 307 C ASP A 109 0.166 24.546 5.229 1.00 0.78 C ATOM 308 O ASP A 109 -0.946 24.522 5.720 1.00 0.96 O ATOM 309 CB ASP A 109 0.783 26.556 3.805 1.00 0.72 C ATOM 310 CG ASP A 109 1.680 25.918 2.747 1.00 1.15 C ATOM 311 OD1 ASP A 109 1.379 24.818 2.329 1.00 1.66 O ATOM 312 OD2 ASP A 109 2.651 26.545 2.368 1.00 1.95 O ATOM 0 H ASP A 109 2.687 24.597 5.342 1.00 0.73 H new ATOM 0 HA ASP A 109 0.605 26.493 5.978 1.00 0.74 H new ATOM 0 HB2 ASP A 109 -0.260 26.486 3.495 1.00 0.72 H new ATOM 0 HB3 ASP A 109 1.018 27.616 3.897 1.00 0.72 H new ATOM 317 N GLY A 110 0.718 23.454 4.739 1.00 0.76 N ATOM 318 CA GLY A 110 -0.017 22.150 4.778 1.00 0.85 C ATOM 319 C GLY A 110 -0.319 21.658 3.355 1.00 0.70 C ATOM 320 O GLY A 110 -0.723 20.529 3.161 1.00 0.73 O ATOM 0 H GLY A 110 1.645 23.414 4.315 1.00 0.76 H new ATOM 0 HA2 GLY A 110 0.579 21.406 5.307 1.00 0.85 H new ATOM 0 HA3 GLY A 110 -0.948 22.267 5.333 1.00 0.85 H new ATOM 324 N TYR A 111 -0.139 22.494 2.362 1.00 0.68 N ATOM 325 CA TYR A 111 -0.428 22.074 0.959 1.00 0.60 C ATOM 326 C TYR A 111 0.792 22.338 0.077 1.00 0.58 C ATOM 327 O TYR A 111 1.300 23.439 0.016 1.00 0.83 O ATOM 328 CB TYR A 111 -1.609 22.946 0.529 1.00 0.68 C ATOM 329 CG TYR A 111 -2.817 22.593 1.363 1.00 0.68 C ATOM 330 CD1 TYR A 111 -2.935 23.078 2.675 1.00 0.78 C ATOM 331 CD2 TYR A 111 -3.817 21.776 0.826 1.00 0.71 C ATOM 332 CE1 TYR A 111 -4.056 22.741 3.443 1.00 0.83 C ATOM 333 CE2 TYR A 111 -4.936 21.440 1.595 1.00 0.78 C ATOM 334 CZ TYR A 111 -5.055 21.922 2.903 1.00 0.80 C ATOM 335 OH TYR A 111 -6.158 21.594 3.660 1.00 0.90 O ATOM 0 H TYR A 111 0.197 23.452 2.465 1.00 0.68 H new ATOM 0 HA TYR A 111 -0.656 21.011 0.874 1.00 0.60 H new ATOM 0 HB2 TYR A 111 -1.362 24.000 0.653 1.00 0.68 H new ATOM 0 HB3 TYR A 111 -1.824 22.792 -0.528 1.00 0.68 H new ATOM 0 HD1 TYR A 111 -2.163 23.709 3.091 1.00 0.78 H new ATOM 0 HD2 TYR A 111 -3.725 21.404 -0.184 1.00 0.71 H new ATOM 0 HE1 TYR A 111 -4.150 23.113 4.453 1.00 0.83 H new ATOM 0 HE2 TYR A 111 -5.708 20.809 1.179 1.00 0.78 H new ATOM 0 HH TYR A 111 -6.755 21.020 3.136 1.00 0.90 H new ATOM 345 N ILE A 112 1.277 21.335 -0.598 1.00 0.50 N ATOM 346 CA ILE A 112 2.481 21.535 -1.455 1.00 0.50 C ATOM 347 C ILE A 112 2.095 22.119 -2.823 1.00 0.49 C ATOM 348 O ILE A 112 1.399 21.507 -3.602 1.00 0.66 O ATOM 349 CB ILE A 112 3.114 20.144 -1.577 1.00 0.50 C ATOM 350 CG1 ILE A 112 3.563 19.679 -0.185 1.00 0.62 C ATOM 351 CG2 ILE A 112 4.331 20.208 -2.500 1.00 0.58 C ATOM 352 CD1 ILE A 112 4.165 18.279 -0.276 1.00 0.66 C ATOM 0 H ILE A 112 0.895 20.389 -0.595 1.00 0.50 H new ATOM 0 HA ILE A 112 3.181 22.252 -1.027 1.00 0.50 H new ATOM 0 HB ILE A 112 2.385 19.447 -1.990 1.00 0.50 H new ATOM 0 HG12 ILE A 112 4.297 20.375 0.221 1.00 0.62 H new ATOM 0 HG13 ILE A 112 2.714 19.676 0.499 1.00 0.62 H new ATOM 0 HG21 ILE A 112 4.777 19.217 -2.583 1.00 0.58 H new ATOM 0 HG22 ILE A 112 4.021 20.551 -3.487 1.00 0.58 H new ATOM 0 HG23 ILE A 112 5.064 20.902 -2.088 1.00 0.58 H new ATOM 0 HD11 ILE A 112 4.482 17.954 0.715 1.00 0.66 H new ATOM 0 HD12 ILE A 112 3.418 17.586 -0.663 1.00 0.66 H new ATOM 0 HD13 ILE A 112 5.026 18.296 -0.945 1.00 0.66 H new ATOM 364 N ASP A 113 2.559 23.308 -3.107 1.00 0.47 N ATOM 365 CA ASP A 113 2.246 23.970 -4.419 1.00 0.50 C ATOM 366 C ASP A 113 3.149 23.406 -5.535 1.00 0.50 C ATOM 367 O ASP A 113 3.659 22.311 -5.432 1.00 0.57 O ATOM 368 CB ASP A 113 2.483 25.480 -4.204 1.00 0.60 C ATOM 369 CG ASP A 113 3.810 25.729 -3.479 1.00 1.17 C ATOM 370 OD1 ASP A 113 4.843 25.527 -4.089 1.00 1.77 O ATOM 371 OD2 ASP A 113 3.764 26.116 -2.321 1.00 1.85 O ATOM 0 H ASP A 113 3.148 23.858 -2.482 1.00 0.47 H new ATOM 0 HA ASP A 113 1.219 23.783 -4.732 1.00 0.50 H new ATOM 0 HB2 ASP A 113 2.489 25.992 -5.166 1.00 0.60 H new ATOM 0 HB3 ASP A 113 1.662 25.902 -3.624 1.00 0.60 H new ATOM 376 N LEU A 114 3.318 24.129 -6.615 1.00 0.52 N ATOM 377 CA LEU A 114 4.168 23.628 -7.747 1.00 0.57 C ATOM 378 C LEU A 114 5.642 24.051 -7.601 1.00 0.63 C ATOM 379 O LEU A 114 6.498 23.572 -8.321 1.00 0.80 O ATOM 380 CB LEU A 114 3.583 24.298 -8.990 1.00 0.62 C ATOM 381 CG LEU A 114 2.790 23.282 -9.802 1.00 0.61 C ATOM 382 CD1 LEU A 114 1.397 23.843 -10.080 1.00 0.91 C ATOM 383 CD2 LEU A 114 3.512 23.016 -11.125 1.00 0.81 C ATOM 0 H LEU A 114 2.903 25.049 -6.764 1.00 0.52 H new ATOM 0 HA LEU A 114 4.160 22.539 -7.784 1.00 0.57 H new ATOM 0 HB2 LEU A 114 2.938 25.126 -8.698 1.00 0.62 H new ATOM 0 HB3 LEU A 114 4.384 24.718 -9.599 1.00 0.62 H new ATOM 0 HG LEU A 114 2.703 22.349 -9.245 1.00 0.61 H new ATOM 0 HD11 LEU A 114 0.823 23.121 -10.661 1.00 0.91 H new ATOM 0 HD12 LEU A 114 0.887 24.036 -9.136 1.00 0.91 H new ATOM 0 HD13 LEU A 114 1.485 24.773 -10.642 1.00 0.91 H new ATOM 0 HD21 LEU A 114 2.947 22.289 -11.708 1.00 0.81 H new ATOM 0 HD22 LEU A 114 3.596 23.946 -11.687 1.00 0.81 H new ATOM 0 HD23 LEU A 114 4.508 22.623 -10.923 1.00 0.81 H new ATOM 395 N ASP A 115 5.941 24.976 -6.724 1.00 0.61 N ATOM 396 CA ASP A 115 7.357 25.458 -6.599 1.00 0.71 C ATOM 397 C ASP A 115 8.201 24.648 -5.597 1.00 0.65 C ATOM 398 O ASP A 115 9.334 24.315 -5.888 1.00 0.89 O ATOM 399 CB ASP A 115 7.236 26.914 -6.142 1.00 0.80 C ATOM 400 CG ASP A 115 7.568 27.841 -7.312 1.00 1.17 C ATOM 401 OD1 ASP A 115 8.743 28.077 -7.541 1.00 1.76 O ATOM 402 OD2 ASP A 115 6.643 28.296 -7.962 1.00 1.76 O ATOM 0 H ASP A 115 5.273 25.418 -6.092 1.00 0.61 H new ATOM 0 HA ASP A 115 7.878 25.344 -7.550 1.00 0.71 H new ATOM 0 HB2 ASP A 115 6.226 27.111 -5.782 1.00 0.80 H new ATOM 0 HB3 ASP A 115 7.914 27.103 -5.310 1.00 0.80 H new ATOM 407 N GLU A 116 7.696 24.346 -4.425 1.00 0.51 N ATOM 408 CA GLU A 116 8.541 23.577 -3.436 1.00 0.48 C ATOM 409 C GLU A 116 8.982 22.228 -4.033 1.00 0.49 C ATOM 410 O GLU A 116 10.014 21.698 -3.669 1.00 0.63 O ATOM 411 CB GLU A 116 7.701 23.321 -2.167 1.00 0.48 C ATOM 412 CG GLU A 116 6.923 24.560 -1.712 1.00 0.57 C ATOM 413 CD GLU A 116 5.819 24.099 -0.766 1.00 0.60 C ATOM 414 OE1 GLU A 116 4.791 23.669 -1.253 1.00 1.36 O ATOM 415 OE2 GLU A 116 6.025 24.161 0.430 1.00 1.19 O ATOM 0 H GLU A 116 6.757 24.589 -4.108 1.00 0.51 H new ATOM 0 HA GLU A 116 9.432 24.158 -3.196 1.00 0.48 H new ATOM 0 HB2 GLU A 116 7.001 22.508 -2.358 1.00 0.48 H new ATOM 0 HB3 GLU A 116 8.358 22.994 -1.361 1.00 0.48 H new ATOM 0 HG2 GLU A 116 7.587 25.264 -1.210 1.00 0.57 H new ATOM 0 HG3 GLU A 116 6.498 25.080 -2.570 1.00 0.57 H new ATOM 422 N LEU A 117 8.211 21.669 -4.945 1.00 0.48 N ATOM 423 CA LEU A 117 8.593 20.353 -5.558 1.00 0.52 C ATOM 424 C LEU A 117 9.987 20.446 -6.202 1.00 0.58 C ATOM 425 O LEU A 117 10.796 19.547 -6.065 1.00 0.69 O ATOM 426 CB LEU A 117 7.528 20.061 -6.625 1.00 0.55 C ATOM 427 CG LEU A 117 6.152 19.839 -5.973 1.00 0.50 C ATOM 428 CD1 LEU A 117 5.072 20.389 -6.899 1.00 0.58 C ATOM 429 CD2 LEU A 117 5.902 18.340 -5.754 1.00 0.53 C ATOM 0 H LEU A 117 7.337 22.068 -5.289 1.00 0.48 H new ATOM 0 HA LEU A 117 8.637 19.561 -4.810 1.00 0.52 H new ATOM 0 HB2 LEU A 117 7.473 20.892 -7.328 1.00 0.55 H new ATOM 0 HB3 LEU A 117 7.812 19.178 -7.197 1.00 0.55 H new ATOM 0 HG LEU A 117 6.127 20.350 -5.010 1.00 0.50 H new ATOM 0 HD11 LEU A 117 4.092 20.237 -6.446 1.00 0.58 H new ATOM 0 HD12 LEU A 117 5.237 21.455 -7.057 1.00 0.58 H new ATOM 0 HD13 LEU A 117 5.114 19.869 -7.856 1.00 0.58 H new ATOM 0 HD21 LEU A 117 4.925 18.198 -5.292 1.00 0.53 H new ATOM 0 HD22 LEU A 117 5.929 17.823 -6.713 1.00 0.53 H new ATOM 0 HD23 LEU A 117 6.675 17.934 -5.101 1.00 0.53 H new ATOM 441 N LYS A 118 10.278 21.524 -6.897 1.00 0.59 N ATOM 442 CA LYS A 118 11.629 21.656 -7.538 1.00 0.69 C ATOM 443 C LYS A 118 12.641 22.307 -6.574 1.00 0.64 C ATOM 444 O LYS A 118 13.830 22.080 -6.677 1.00 0.73 O ATOM 445 CB LYS A 118 11.424 22.519 -8.798 1.00 0.83 C ATOM 446 CG LYS A 118 11.095 23.968 -8.417 1.00 0.99 C ATOM 447 CD LYS A 118 9.893 24.456 -9.236 1.00 1.35 C ATOM 448 CE LYS A 118 10.170 25.865 -9.776 1.00 1.51 C ATOM 449 NZ LYS A 118 8.830 26.432 -10.124 1.00 1.99 N1+ ATOM 0 H LYS A 118 9.646 22.310 -7.047 1.00 0.59 H new ATOM 0 HA LYS A 118 12.040 20.680 -7.794 1.00 0.69 H new ATOM 0 HB2 LYS A 118 12.325 22.495 -9.411 1.00 0.83 H new ATOM 0 HB3 LYS A 118 10.616 22.104 -9.401 1.00 0.83 H new ATOM 0 HG2 LYS A 118 10.872 24.033 -7.352 1.00 0.99 H new ATOM 0 HG3 LYS A 118 11.958 24.608 -8.602 1.00 0.99 H new ATOM 0 HD2 LYS A 118 9.702 23.771 -10.062 1.00 1.35 H new ATOM 0 HD3 LYS A 118 8.997 24.464 -8.615 1.00 1.35 H new ATOM 0 HE2 LYS A 118 10.674 26.479 -9.029 1.00 1.51 H new ATOM 0 HE3 LYS A 118 10.820 25.829 -10.650 1.00 1.51 H new ATOM 0 HZ1 LYS A 118 8.780 26.601 -11.149 1.00 1.99 H new ATOM 0 HZ2 LYS A 118 8.086 25.760 -9.847 1.00 1.99 H new ATOM 0 HZ3 LYS A 118 8.691 27.330 -9.618 1.00 1.99 H new ATOM 463 N ILE A 119 12.185 23.105 -5.636 1.00 0.68 N ATOM 464 CA ILE A 119 13.136 23.753 -4.672 1.00 0.74 C ATOM 465 C ILE A 119 13.623 22.732 -3.626 1.00 0.75 C ATOM 466 O ILE A 119 14.708 22.858 -3.087 1.00 0.85 O ATOM 467 CB ILE A 119 12.332 24.880 -4.007 1.00 0.98 C ATOM 468 CG1 ILE A 119 12.026 25.968 -5.043 1.00 1.22 C ATOM 469 CG2 ILE A 119 13.150 25.493 -2.865 1.00 1.08 C ATOM 470 CD1 ILE A 119 10.834 26.806 -4.578 1.00 1.06 C ATOM 0 H ILE A 119 11.201 23.335 -5.496 1.00 0.68 H new ATOM 0 HA ILE A 119 14.027 24.135 -5.170 1.00 0.74 H new ATOM 0 HB ILE A 119 11.401 24.472 -3.612 1.00 0.98 H new ATOM 0 HG12 ILE A 119 12.899 26.606 -5.182 1.00 1.22 H new ATOM 0 HG13 ILE A 119 11.807 25.512 -6.009 1.00 1.22 H new ATOM 0 HG21 ILE A 119 12.577 26.292 -2.395 1.00 1.08 H new ATOM 0 HG22 ILE A 119 13.375 24.725 -2.125 1.00 1.08 H new ATOM 0 HG23 ILE A 119 14.081 25.899 -3.261 1.00 1.08 H new ATOM 0 HD11 ILE A 119 10.621 27.578 -5.318 1.00 1.06 H new ATOM 0 HD12 ILE A 119 9.961 26.164 -4.462 1.00 1.06 H new ATOM 0 HD13 ILE A 119 11.069 27.275 -3.622 1.00 1.06 H new ATOM 482 N MET A 120 12.832 21.726 -3.338 1.00 0.85 N ATOM 483 CA MET A 120 13.245 20.698 -2.332 1.00 1.01 C ATOM 484 C MET A 120 14.116 19.609 -2.984 1.00 0.95 C ATOM 485 O MET A 120 14.990 19.049 -2.349 1.00 1.11 O ATOM 486 CB MET A 120 11.933 20.100 -1.821 1.00 1.17 C ATOM 487 CG MET A 120 12.169 19.427 -0.468 1.00 1.52 C ATOM 488 SD MET A 120 11.234 17.880 -0.401 1.00 1.88 S ATOM 489 CE MET A 120 9.616 18.569 -0.835 1.00 1.43 C ATOM 0 H MET A 120 11.915 21.573 -3.758 1.00 0.85 H new ATOM 0 HA MET A 120 13.843 21.131 -1.530 1.00 1.01 H new ATOM 0 HB2 MET A 120 11.179 20.881 -1.723 1.00 1.17 H new ATOM 0 HB3 MET A 120 11.549 19.374 -2.538 1.00 1.17 H new ATOM 0 HG2 MET A 120 13.232 19.230 -0.327 1.00 1.52 H new ATOM 0 HG3 MET A 120 11.858 20.089 0.340 1.00 1.52 H new ATOM 0 HE1 MET A 120 8.858 17.789 -0.766 1.00 1.43 H new ATOM 0 HE2 MET A 120 9.369 19.378 -0.147 1.00 1.43 H new ATOM 0 HE3 MET A 120 9.647 18.956 -1.854 1.00 1.43 H new ATOM 499 N LEU A 121 13.887 19.309 -4.245 1.00 0.87 N ATOM 500 CA LEU A 121 14.705 18.256 -4.939 1.00 0.95 C ATOM 501 C LEU A 121 16.190 18.665 -5.027 1.00 0.87 C ATOM 502 O LEU A 121 17.036 17.852 -5.345 1.00 0.97 O ATOM 503 CB LEU A 121 14.096 18.132 -6.341 1.00 1.09 C ATOM 504 CG LEU A 121 13.819 16.658 -6.661 1.00 1.41 C ATOM 505 CD1 LEU A 121 12.454 16.252 -6.098 1.00 2.03 C ATOM 506 CD2 LEU A 121 13.817 16.454 -8.178 1.00 1.80 C ATOM 0 H LEU A 121 13.170 19.747 -4.823 1.00 0.87 H new ATOM 0 HA LEU A 121 14.682 17.312 -4.395 1.00 0.95 H new ATOM 0 HB2 LEU A 121 13.171 18.705 -6.397 1.00 1.09 H new ATOM 0 HB3 LEU A 121 14.777 18.552 -7.081 1.00 1.09 H new ATOM 0 HG LEU A 121 14.597 16.043 -6.208 1.00 1.41 H new ATOM 0 HD11 LEU A 121 12.263 15.204 -6.328 1.00 2.03 H new ATOM 0 HD12 LEU A 121 12.450 16.393 -5.017 1.00 2.03 H new ATOM 0 HD13 LEU A 121 11.677 16.870 -6.547 1.00 2.03 H new ATOM 0 HD21 LEU A 121 13.620 15.406 -8.404 1.00 1.80 H new ATOM 0 HD22 LEU A 121 13.041 17.074 -8.627 1.00 1.80 H new ATOM 0 HD23 LEU A 121 14.788 16.736 -8.584 1.00 1.80 H new ATOM 518 N GLN A 122 16.517 19.907 -4.742 1.00 0.82 N ATOM 519 CA GLN A 122 17.950 20.346 -4.799 1.00 0.95 C ATOM 520 C GLN A 122 18.830 19.417 -3.946 1.00 1.04 C ATOM 521 O GLN A 122 19.957 19.124 -4.297 1.00 1.19 O ATOM 522 CB GLN A 122 17.955 21.762 -4.217 1.00 1.14 C ATOM 523 CG GLN A 122 17.602 22.775 -5.311 1.00 1.42 C ATOM 524 CD GLN A 122 17.487 24.171 -4.693 1.00 1.85 C ATOM 525 OE1 GLN A 122 18.286 24.551 -3.861 1.00 2.44 O ATOM 526 NE2 GLN A 122 16.520 24.959 -5.067 1.00 2.28 N ATOM 0 H GLN A 122 15.854 20.634 -4.473 1.00 0.82 H new ATOM 0 HA GLN A 122 18.346 20.317 -5.814 1.00 0.95 H new ATOM 0 HB2 GLN A 122 17.237 21.831 -3.399 1.00 1.14 H new ATOM 0 HB3 GLN A 122 18.936 21.990 -3.800 1.00 1.14 H new ATOM 0 HG2 GLN A 122 18.368 22.771 -6.087 1.00 1.42 H new ATOM 0 HG3 GLN A 122 16.662 22.498 -5.789 1.00 1.42 H new ATOM 0 HE21 GLN A 122 15.847 24.644 -5.765 1.00 2.28 H new ATOM 0 HE22 GLN A 122 16.436 25.891 -4.661 1.00 2.28 H new ATOM 535 N ALA A 123 18.315 18.951 -2.830 1.00 1.09 N ATOM 536 CA ALA A 123 19.108 18.037 -1.948 1.00 1.33 C ATOM 537 C ALA A 123 19.417 16.715 -2.668 1.00 1.38 C ATOM 538 O ALA A 123 20.532 16.232 -2.630 1.00 1.62 O ATOM 539 CB ALA A 123 18.216 17.794 -0.727 1.00 1.45 C ATOM 0 H ALA A 123 17.377 19.166 -2.493 1.00 1.09 H new ATOM 0 HA ALA A 123 20.070 18.469 -1.673 1.00 1.33 H new ATOM 0 HB1 ALA A 123 18.727 17.131 -0.029 1.00 1.45 H new ATOM 0 HB2 ALA A 123 18.005 18.744 -0.236 1.00 1.45 H new ATOM 0 HB3 ALA A 123 17.280 17.334 -1.046 1.00 1.45 H new ATOM 545 N THR A 124 18.444 16.130 -3.326 1.00 1.29 N ATOM 546 CA THR A 124 18.691 14.839 -4.052 1.00 1.47 C ATOM 547 C THR A 124 19.460 15.092 -5.360 1.00 1.44 C ATOM 548 O THR A 124 20.241 14.265 -5.792 1.00 1.72 O ATOM 549 CB THR A 124 17.302 14.249 -4.346 1.00 1.56 C ATOM 550 OG1 THR A 124 16.424 15.277 -4.787 1.00 2.16 O ATOM 551 CG2 THR A 124 16.738 13.605 -3.079 1.00 1.92 C ATOM 0 H THR A 124 17.491 16.488 -3.393 1.00 1.29 H new ATOM 0 HA THR A 124 19.297 14.156 -3.457 1.00 1.47 H new ATOM 0 HB THR A 124 17.393 13.494 -5.127 1.00 1.56 H new ATOM 0 HG1 THR A 124 16.947 16.060 -5.058 1.00 2.16 H new ATOM 0 HG21 THR A 124 15.753 13.188 -3.290 1.00 1.92 H new ATOM 0 HG22 THR A 124 17.406 12.810 -2.747 1.00 1.92 H new ATOM 0 HG23 THR A 124 16.652 14.358 -2.295 1.00 1.92 H new ATOM 559 N GLY A 125 19.250 16.225 -5.989 1.00 1.26 N ATOM 560 CA GLY A 125 19.972 16.528 -7.265 1.00 1.32 C ATOM 561 C GLY A 125 19.017 17.208 -8.246 1.00 1.26 C ATOM 562 O GLY A 125 18.624 16.630 -9.242 1.00 1.63 O ATOM 0 H GLY A 125 18.609 16.953 -5.673 1.00 1.26 H new ATOM 0 HA2 GLY A 125 20.827 17.175 -7.066 1.00 1.32 H new ATOM 0 HA3 GLY A 125 20.363 15.608 -7.701 1.00 1.32 H new ATOM 566 N GLU A 126 18.643 18.433 -7.973 1.00 1.02 N ATOM 567 CA GLU A 126 17.711 19.150 -8.893 1.00 1.08 C ATOM 568 C GLU A 126 18.499 19.954 -9.933 1.00 0.89 C ATOM 569 O GLU A 126 18.861 21.097 -9.715 1.00 0.87 O ATOM 570 CB GLU A 126 16.880 20.075 -7.995 1.00 1.34 C ATOM 571 CG GLU A 126 15.871 20.853 -8.849 1.00 1.45 C ATOM 572 CD GLU A 126 14.798 19.900 -9.384 1.00 1.61 C ATOM 573 OE1 GLU A 126 15.060 19.236 -10.371 1.00 2.16 O ATOM 574 OE2 GLU A 126 13.733 19.851 -8.798 1.00 2.09 O ATOM 0 H GLU A 126 18.942 18.965 -7.156 1.00 1.02 H new ATOM 0 HA GLU A 126 17.076 18.461 -9.450 1.00 1.08 H new ATOM 0 HB2 GLU A 126 16.357 19.490 -7.239 1.00 1.34 H new ATOM 0 HB3 GLU A 126 17.534 20.768 -7.466 1.00 1.34 H new ATOM 0 HG2 GLU A 126 15.407 21.640 -8.254 1.00 1.45 H new ATOM 0 HG3 GLU A 126 16.383 21.341 -9.678 1.00 1.45 H new ATOM 581 N THR A 127 18.762 19.355 -11.066 1.00 1.09 N ATOM 582 CA THR A 127 19.517 20.062 -12.148 1.00 1.21 C ATOM 583 C THR A 127 18.867 19.770 -13.511 1.00 1.29 C ATOM 584 O THR A 127 19.511 19.320 -14.441 1.00 1.60 O ATOM 585 CB THR A 127 20.951 19.508 -12.072 1.00 1.57 C ATOM 586 OG1 THR A 127 21.748 20.118 -13.080 1.00 1.91 O ATOM 587 CG2 THR A 127 20.949 17.986 -12.269 1.00 2.18 C ATOM 0 H THR A 127 18.485 18.400 -11.291 1.00 1.09 H new ATOM 0 HA THR A 127 19.512 21.145 -12.027 1.00 1.21 H new ATOM 0 HB THR A 127 21.364 19.733 -11.089 1.00 1.57 H new ATOM 0 HG1 THR A 127 21.308 20.018 -13.950 1.00 1.91 H new ATOM 0 HG21 THR A 127 21.971 17.610 -12.212 1.00 2.18 H new ATOM 0 HG22 THR A 127 20.347 17.519 -11.489 1.00 2.18 H new ATOM 0 HG23 THR A 127 20.528 17.746 -13.245 1.00 2.18 H new ATOM 595 N ILE A 128 17.585 20.024 -13.627 1.00 1.08 N ATOM 596 CA ILE A 128 16.868 19.766 -14.919 1.00 1.20 C ATOM 597 C ILE A 128 16.077 21.010 -15.354 1.00 1.18 C ATOM 598 O ILE A 128 16.249 22.086 -14.812 1.00 1.15 O ATOM 599 CB ILE A 128 15.920 18.586 -14.634 1.00 1.12 C ATOM 600 CG1 ILE A 128 15.041 18.897 -13.414 1.00 1.32 C ATOM 601 CG2 ILE A 128 16.741 17.322 -14.358 1.00 1.62 C ATOM 602 CD1 ILE A 128 13.923 17.858 -13.303 1.00 2.03 C ATOM 0 H ILE A 128 17.001 20.400 -12.880 1.00 1.08 H new ATOM 0 HA ILE A 128 17.560 19.538 -15.729 1.00 1.20 H new ATOM 0 HB ILE A 128 15.282 18.428 -15.504 1.00 1.12 H new ATOM 0 HG12 ILE A 128 15.646 18.892 -12.507 1.00 1.32 H new ATOM 0 HG13 ILE A 128 14.614 19.896 -13.507 1.00 1.32 H new ATOM 0 HG21 ILE A 128 16.069 16.488 -14.157 1.00 1.62 H new ATOM 0 HG22 ILE A 128 17.356 17.090 -15.228 1.00 1.62 H new ATOM 0 HG23 ILE A 128 17.383 17.487 -13.493 1.00 1.62 H new ATOM 0 HD11 ILE A 128 13.302 18.083 -12.436 1.00 2.03 H new ATOM 0 HD12 ILE A 128 13.311 17.885 -14.204 1.00 2.03 H new ATOM 0 HD13 ILE A 128 14.359 16.865 -13.190 1.00 2.03 H new ATOM 614 N THR A 129 15.216 20.868 -16.329 1.00 1.34 N ATOM 615 CA THR A 129 14.412 22.037 -16.807 1.00 1.42 C ATOM 616 C THR A 129 13.127 22.177 -15.982 1.00 1.16 C ATOM 617 O THR A 129 12.757 21.291 -15.235 1.00 0.97 O ATOM 618 CB THR A 129 14.068 21.726 -18.270 1.00 1.64 C ATOM 619 OG1 THR A 129 13.712 20.356 -18.399 1.00 2.23 O ATOM 620 CG2 THR A 129 15.275 22.021 -19.162 1.00 2.28 C ATOM 0 H THR A 129 15.034 19.991 -16.817 1.00 1.34 H new ATOM 0 HA THR A 129 14.963 22.972 -16.706 1.00 1.42 H new ATOM 0 HB THR A 129 13.229 22.351 -18.577 1.00 1.64 H new ATOM 0 HG1 THR A 129 12.839 20.285 -18.838 1.00 2.23 H new ATOM 0 HG21 THR A 129 15.024 21.798 -20.199 1.00 2.28 H new ATOM 0 HG22 THR A 129 15.545 23.073 -19.072 1.00 2.28 H new ATOM 0 HG23 THR A 129 16.117 21.402 -18.851 1.00 2.28 H new ATOM 628 N GLU A 130 12.436 23.282 -16.120 1.00 1.31 N ATOM 629 CA GLU A 130 11.167 23.465 -15.352 1.00 1.28 C ATOM 630 C GLU A 130 10.086 22.532 -15.906 1.00 1.16 C ATOM 631 O GLU A 130 9.397 21.867 -15.158 1.00 1.21 O ATOM 632 CB GLU A 130 10.769 24.926 -15.551 1.00 1.69 C ATOM 633 CG GLU A 130 9.399 25.165 -14.910 1.00 2.05 C ATOM 634 CD GLU A 130 9.563 25.443 -13.413 1.00 2.43 C ATOM 635 OE1 GLU A 130 9.658 24.488 -12.659 1.00 3.03 O ATOM 636 OE2 GLU A 130 9.587 26.605 -13.045 1.00 2.70 O ATOM 0 H GLU A 130 12.694 24.060 -16.727 1.00 1.31 H new ATOM 0 HA GLU A 130 11.290 23.229 -14.295 1.00 1.28 H new ATOM 0 HB2 GLU A 130 11.514 25.583 -15.102 1.00 1.69 H new ATOM 0 HB3 GLU A 130 10.733 25.164 -16.614 1.00 1.69 H new ATOM 0 HG2 GLU A 130 8.904 26.008 -15.393 1.00 2.05 H new ATOM 0 HG3 GLU A 130 8.762 24.293 -15.059 1.00 2.05 H new ATOM 643 N ASP A 131 9.946 22.466 -17.215 1.00 1.18 N ATOM 644 CA ASP A 131 8.920 21.551 -17.819 1.00 1.19 C ATOM 645 C ASP A 131 9.120 20.122 -17.287 1.00 1.07 C ATOM 646 O ASP A 131 8.192 19.338 -17.226 1.00 1.14 O ATOM 647 CB ASP A 131 9.134 21.608 -19.344 1.00 1.44 C ATOM 648 CG ASP A 131 10.616 21.423 -19.691 1.00 1.48 C ATOM 649 OD1 ASP A 131 11.043 20.287 -19.808 1.00 2.07 O ATOM 650 OD2 ASP A 131 11.296 22.424 -19.842 1.00 1.91 O ATOM 0 H ASP A 131 10.495 23.003 -17.886 1.00 1.18 H new ATOM 0 HA ASP A 131 7.905 21.853 -17.562 1.00 1.19 H new ATOM 0 HB2 ASP A 131 8.542 20.831 -19.828 1.00 1.44 H new ATOM 0 HB3 ASP A 131 8.782 22.565 -19.730 1.00 1.44 H new ATOM 655 N ASP A 132 10.321 19.799 -16.867 1.00 1.00 N ATOM 656 CA ASP A 132 10.587 18.442 -16.299 1.00 1.03 C ATOM 657 C ASP A 132 9.869 18.318 -14.946 1.00 0.88 C ATOM 658 O ASP A 132 9.311 17.288 -14.617 1.00 1.03 O ATOM 659 CB ASP A 132 12.107 18.377 -16.123 1.00 1.13 C ATOM 660 CG ASP A 132 12.630 17.032 -16.625 1.00 1.39 C ATOM 661 OD1 ASP A 132 12.556 16.072 -15.876 1.00 1.99 O ATOM 662 OD2 ASP A 132 13.099 16.983 -17.749 1.00 1.79 O ATOM 0 H ASP A 132 11.130 20.420 -16.894 1.00 1.00 H new ATOM 0 HA ASP A 132 10.228 17.632 -16.934 1.00 1.03 H new ATOM 0 HB2 ASP A 132 12.581 19.190 -16.673 1.00 1.13 H new ATOM 0 HB3 ASP A 132 12.366 18.509 -15.073 1.00 1.13 H new ATOM 667 N ILE A 133 9.858 19.384 -14.178 1.00 0.75 N ATOM 668 CA ILE A 133 9.150 19.372 -12.855 1.00 0.77 C ATOM 669 C ILE A 133 7.648 19.200 -13.093 1.00 0.70 C ATOM 670 O ILE A 133 6.977 18.460 -12.401 1.00 0.82 O ATOM 671 CB ILE A 133 9.410 20.749 -12.227 1.00 0.87 C ATOM 672 CG1 ILE A 133 10.919 21.048 -12.177 1.00 0.96 C ATOM 673 CG2 ILE A 133 8.838 20.772 -10.807 1.00 1.06 C ATOM 674 CD1 ILE A 133 11.635 20.014 -11.303 1.00 1.00 C ATOM 0 H ILE A 133 10.312 20.267 -14.412 1.00 0.75 H new ATOM 0 HA ILE A 133 9.498 18.563 -12.213 1.00 0.77 H new ATOM 0 HB ILE A 133 8.925 21.511 -12.838 1.00 0.87 H new ATOM 0 HG12 ILE A 133 11.334 21.032 -13.185 1.00 0.96 H new ATOM 0 HG13 ILE A 133 11.086 22.049 -11.779 1.00 0.96 H new ATOM 0 HG21 ILE A 133 9.020 21.748 -10.357 1.00 1.06 H new ATOM 0 HG22 ILE A 133 7.765 20.584 -10.844 1.00 1.06 H new ATOM 0 HG23 ILE A 133 9.321 20.000 -10.208 1.00 1.06 H new ATOM 0 HD11 ILE A 133 12.702 20.237 -11.276 1.00 1.00 H new ATOM 0 HD12 ILE A 133 11.231 20.050 -10.291 1.00 1.00 H new ATOM 0 HD13 ILE A 133 11.483 19.018 -11.719 1.00 1.00 H new ATOM 686 N GLU A 134 7.131 19.899 -14.075 1.00 0.61 N ATOM 687 CA GLU A 134 5.676 19.823 -14.408 1.00 0.64 C ATOM 688 C GLU A 134 5.197 18.369 -14.529 1.00 0.64 C ATOM 689 O GLU A 134 4.079 18.059 -14.172 1.00 0.76 O ATOM 690 CB GLU A 134 5.557 20.544 -15.752 1.00 0.73 C ATOM 691 CG GLU A 134 5.073 21.975 -15.513 1.00 0.89 C ATOM 692 CD GLU A 134 3.563 21.965 -15.262 1.00 1.21 C ATOM 693 OE1 GLU A 134 2.822 21.867 -16.227 1.00 1.86 O ATOM 694 OE2 GLU A 134 3.174 22.046 -14.111 1.00 1.87 O ATOM 0 H GLU A 134 7.668 20.530 -14.670 1.00 0.61 H new ATOM 0 HA GLU A 134 5.058 20.272 -13.631 1.00 0.64 H new ATOM 0 HB2 GLU A 134 6.521 20.553 -16.260 1.00 0.73 H new ATOM 0 HB3 GLU A 134 4.860 20.015 -16.402 1.00 0.73 H new ATOM 0 HG2 GLU A 134 5.592 22.408 -14.658 1.00 0.89 H new ATOM 0 HG3 GLU A 134 5.305 22.598 -16.376 1.00 0.89 H new ATOM 701 N GLU A 135 6.023 17.475 -15.018 1.00 0.59 N ATOM 702 CA GLU A 135 5.590 16.046 -15.138 1.00 0.67 C ATOM 703 C GLU A 135 5.434 15.447 -13.738 1.00 0.74 C ATOM 704 O GLU A 135 4.476 14.753 -13.454 1.00 0.91 O ATOM 705 CB GLU A 135 6.699 15.347 -15.930 1.00 0.72 C ATOM 706 CG GLU A 135 6.207 15.042 -17.356 1.00 1.16 C ATOM 707 CD GLU A 135 5.456 16.252 -17.927 1.00 1.56 C ATOM 708 OE1 GLU A 135 6.110 17.204 -18.314 1.00 2.03 O ATOM 709 OE2 GLU A 135 4.235 16.206 -17.962 1.00 2.29 O ATOM 0 H GLU A 135 6.972 17.671 -15.337 1.00 0.59 H new ATOM 0 HA GLU A 135 4.630 15.934 -15.641 1.00 0.67 H new ATOM 0 HB2 GLU A 135 7.585 15.980 -15.969 1.00 0.72 H new ATOM 0 HB3 GLU A 135 6.989 14.423 -15.430 1.00 0.72 H new ATOM 0 HG2 GLU A 135 7.054 14.795 -17.996 1.00 1.16 H new ATOM 0 HG3 GLU A 135 5.552 14.171 -17.344 1.00 1.16 H new ATOM 716 N LEU A 136 6.347 15.755 -12.850 1.00 0.73 N ATOM 717 CA LEU A 136 6.235 15.254 -11.446 1.00 0.87 C ATOM 718 C LEU A 136 4.964 15.843 -10.820 1.00 0.81 C ATOM 719 O LEU A 136 4.254 15.181 -10.085 1.00 1.00 O ATOM 720 CB LEU A 136 7.489 15.779 -10.728 1.00 0.99 C ATOM 721 CG LEU A 136 8.606 14.718 -10.705 1.00 1.09 C ATOM 722 CD1 LEU A 136 8.502 13.887 -9.421 1.00 1.74 C ATOM 723 CD2 LEU A 136 8.499 13.790 -11.922 1.00 1.75 C ATOM 0 H LEU A 136 7.166 16.333 -13.038 1.00 0.73 H new ATOM 0 HA LEU A 136 6.171 14.168 -11.380 1.00 0.87 H new ATOM 0 HB2 LEU A 136 7.848 16.678 -11.229 1.00 0.99 H new ATOM 0 HB3 LEU A 136 7.234 16.064 -9.707 1.00 0.99 H new ATOM 0 HG LEU A 136 9.568 15.229 -10.738 1.00 1.09 H new ATOM 0 HD11 LEU A 136 9.293 13.137 -9.408 1.00 1.74 H new ATOM 0 HD12 LEU A 136 8.607 14.541 -8.555 1.00 1.74 H new ATOM 0 HD13 LEU A 136 7.532 13.391 -9.386 1.00 1.74 H new ATOM 0 HD21 LEU A 136 9.297 13.049 -11.886 1.00 1.75 H new ATOM 0 HD22 LEU A 136 7.533 13.284 -11.910 1.00 1.75 H new ATOM 0 HD23 LEU A 136 8.590 14.377 -12.836 1.00 1.75 H new ATOM 735 N MET A 137 4.668 17.088 -11.128 1.00 0.67 N ATOM 736 CA MET A 137 3.440 17.736 -10.581 1.00 0.71 C ATOM 737 C MET A 137 2.185 17.192 -11.280 1.00 0.68 C ATOM 738 O MET A 137 1.150 17.039 -10.666 1.00 0.70 O ATOM 739 CB MET A 137 3.602 19.230 -10.873 1.00 0.82 C ATOM 740 CG MET A 137 2.390 19.990 -10.327 1.00 0.99 C ATOM 741 SD MET A 137 2.522 20.115 -8.529 1.00 0.94 S ATOM 742 CE MET A 137 0.933 20.926 -8.230 1.00 0.53 C ATOM 0 H MET A 137 5.231 17.681 -11.738 1.00 0.67 H new ATOM 0 HA MET A 137 3.322 17.539 -9.515 1.00 0.71 H new ATOM 0 HB2 MET A 137 4.517 19.604 -10.414 1.00 0.82 H new ATOM 0 HB3 MET A 137 3.694 19.394 -11.947 1.00 0.82 H new ATOM 0 HG2 MET A 137 2.341 20.985 -10.769 1.00 0.99 H new ATOM 0 HG3 MET A 137 1.470 19.474 -10.600 1.00 0.99 H new ATOM 0 HE1 MET A 137 1.079 21.779 -7.567 1.00 0.53 H new ATOM 0 HE2 MET A 137 0.516 21.269 -9.177 1.00 0.53 H new ATOM 0 HE3 MET A 137 0.245 20.219 -7.766 1.00 0.53 H new ATOM 752 N LYS A 138 2.269 16.908 -12.559 1.00 0.76 N ATOM 753 CA LYS A 138 1.078 16.380 -13.301 1.00 0.82 C ATOM 754 C LYS A 138 0.550 15.107 -12.631 1.00 0.72 C ATOM 755 O LYS A 138 -0.623 14.998 -12.343 1.00 0.84 O ATOM 756 CB LYS A 138 1.577 16.074 -14.717 1.00 0.99 C ATOM 757 CG LYS A 138 0.653 16.733 -15.749 1.00 1.57 C ATOM 758 CD LYS A 138 0.773 18.260 -15.658 1.00 2.09 C ATOM 759 CE LYS A 138 1.424 18.803 -16.934 1.00 2.74 C ATOM 760 NZ LYS A 138 2.880 18.530 -16.766 1.00 3.43 N1+ ATOM 0 H LYS A 138 3.112 17.019 -13.122 1.00 0.76 H new ATOM 0 HA LYS A 138 0.258 17.098 -13.309 1.00 0.82 H new ATOM 0 HB2 LYS A 138 2.596 16.442 -14.841 1.00 0.99 H new ATOM 0 HB3 LYS A 138 1.606 14.996 -14.877 1.00 0.99 H new ATOM 0 HG2 LYS A 138 0.917 16.398 -16.752 1.00 1.57 H new ATOM 0 HG3 LYS A 138 -0.379 16.429 -15.572 1.00 1.57 H new ATOM 0 HD2 LYS A 138 -0.213 18.705 -15.524 1.00 2.09 H new ATOM 0 HD3 LYS A 138 1.369 18.537 -14.788 1.00 2.09 H new ATOM 0 HE2 LYS A 138 1.029 18.308 -17.821 1.00 2.74 H new ATOM 0 HE3 LYS A 138 1.233 19.870 -17.052 1.00 2.74 H new ATOM 0 HZ1 LYS A 138 3.425 19.148 -17.401 1.00 3.43 H new ATOM 0 HZ2 LYS A 138 3.157 18.716 -15.781 1.00 3.43 H new ATOM 0 HZ3 LYS A 138 3.076 17.535 -16.999 1.00 3.43 H new ATOM 774 N ASP A 139 1.404 14.146 -12.380 1.00 0.75 N ATOM 775 CA ASP A 139 0.939 12.883 -11.725 1.00 0.78 C ATOM 776 C ASP A 139 0.483 13.154 -10.281 1.00 0.70 C ATOM 777 O ASP A 139 -0.492 12.589 -9.823 1.00 0.81 O ATOM 778 CB ASP A 139 2.150 11.947 -11.745 1.00 0.97 C ATOM 779 CG ASP A 139 2.240 11.255 -13.103 1.00 1.16 C ATOM 780 OD1 ASP A 139 1.621 10.215 -13.258 1.00 1.66 O ATOM 781 OD2 ASP A 139 2.923 11.776 -13.969 1.00 1.69 O ATOM 0 H ASP A 139 2.400 14.180 -12.599 1.00 0.75 H new ATOM 0 HA ASP A 139 0.084 12.449 -12.243 1.00 0.78 H new ATOM 0 HB2 ASP A 139 3.062 12.512 -11.552 1.00 0.97 H new ATOM 0 HB3 ASP A 139 2.061 11.204 -10.952 1.00 0.97 H new ATOM 786 N GLY A 140 1.175 14.011 -9.562 1.00 0.64 N ATOM 787 CA GLY A 140 0.773 14.312 -8.153 1.00 0.62 C ATOM 788 C GLY A 140 -0.531 15.117 -8.147 1.00 0.57 C ATOM 789 O GLY A 140 -1.444 14.823 -7.403 1.00 0.65 O ATOM 0 H GLY A 140 1.999 14.513 -9.893 1.00 0.64 H new ATOM 0 HA2 GLY A 140 0.641 13.384 -7.596 1.00 0.62 H new ATOM 0 HA3 GLY A 140 1.561 14.875 -7.652 1.00 0.62 H new ATOM 793 N ASP A 141 -0.621 16.124 -8.979 1.00 0.56 N ATOM 794 CA ASP A 141 -1.859 16.954 -9.042 1.00 0.56 C ATOM 795 C ASP A 141 -2.462 16.874 -10.452 1.00 0.58 C ATOM 796 O ASP A 141 -2.469 17.840 -11.192 1.00 0.64 O ATOM 797 CB ASP A 141 -1.398 18.384 -8.720 1.00 0.60 C ATOM 798 CG ASP A 141 -2.525 19.167 -8.035 1.00 0.75 C ATOM 799 OD1 ASP A 141 -3.679 18.932 -8.355 1.00 1.14 O ATOM 800 OD2 ASP A 141 -2.216 19.992 -7.196 1.00 1.23 O ATOM 0 H ASP A 141 0.118 16.408 -9.622 1.00 0.56 H new ATOM 0 HA ASP A 141 -2.628 16.618 -8.347 1.00 0.56 H new ATOM 0 HB2 ASP A 141 -0.522 18.353 -8.072 1.00 0.60 H new ATOM 0 HB3 ASP A 141 -1.099 18.892 -9.637 1.00 0.60 H new ATOM 805 N LYS A 142 -2.967 15.723 -10.827 1.00 0.62 N ATOM 806 CA LYS A 142 -3.572 15.569 -12.190 1.00 0.70 C ATOM 807 C LYS A 142 -4.770 16.513 -12.344 1.00 0.79 C ATOM 808 O LYS A 142 -4.992 17.076 -13.399 1.00 0.92 O ATOM 809 CB LYS A 142 -4.006 14.103 -12.278 1.00 0.79 C ATOM 810 CG LYS A 142 -2.783 13.241 -12.601 1.00 0.88 C ATOM 811 CD LYS A 142 -3.226 11.826 -12.975 1.00 1.37 C ATOM 812 CE LYS A 142 -2.141 10.829 -12.559 1.00 1.79 C ATOM 813 NZ LYS A 142 -1.164 10.824 -13.688 1.00 2.44 N1+ ATOM 0 H LYS A 142 -2.987 14.883 -10.249 1.00 0.62 H new ATOM 0 HA LYS A 142 -2.871 15.822 -12.986 1.00 0.70 H new ATOM 0 HB2 LYS A 142 -4.453 13.785 -11.336 1.00 0.79 H new ATOM 0 HB3 LYS A 142 -4.767 13.981 -13.049 1.00 0.79 H new ATOM 0 HG2 LYS A 142 -2.222 13.685 -13.423 1.00 0.88 H new ATOM 0 HG3 LYS A 142 -2.114 13.206 -11.741 1.00 0.88 H new ATOM 0 HD2 LYS A 142 -4.167 11.585 -12.480 1.00 1.37 H new ATOM 0 HD3 LYS A 142 -3.404 11.760 -14.048 1.00 1.37 H new ATOM 0 HE2 LYS A 142 -1.664 11.131 -11.627 1.00 1.79 H new ATOM 0 HE3 LYS A 142 -2.560 9.836 -12.396 1.00 1.79 H new ATOM 0 HZ1 LYS A 142 -0.219 10.580 -13.328 1.00 2.44 H new ATOM 0 HZ2 LYS A 142 -1.457 10.122 -14.397 1.00 2.44 H new ATOM 0 HZ3 LYS A 142 -1.135 11.767 -14.126 1.00 2.44 H new ATOM 827 N ASN A 143 -5.529 16.708 -11.291 1.00 0.80 N ATOM 828 CA ASN A 143 -6.698 17.639 -11.365 1.00 0.95 C ATOM 829 C ASN A 143 -6.201 19.100 -11.392 1.00 0.92 C ATOM 830 O ASN A 143 -6.861 19.975 -11.917 1.00 1.08 O ATOM 831 CB ASN A 143 -7.537 17.328 -10.107 1.00 1.07 C ATOM 832 CG ASN A 143 -7.519 18.500 -9.120 1.00 1.36 C ATOM 833 OD1 ASN A 143 -8.355 19.376 -9.188 1.00 1.95 O ATOM 834 ND2 ASN A 143 -6.601 18.554 -8.197 1.00 1.70 N ATOM 0 H ASN A 143 -5.389 16.262 -10.384 1.00 0.80 H new ATOM 0 HA ASN A 143 -7.295 17.508 -12.268 1.00 0.95 H new ATOM 0 HB2 ASN A 143 -8.565 17.111 -10.398 1.00 1.07 H new ATOM 0 HB3 ASN A 143 -7.148 16.434 -9.620 1.00 1.07 H new ATOM 0 HD21 ASN A 143 -6.588 19.331 -7.536 1.00 1.70 H new ATOM 0 HD22 ASN A 143 -5.896 17.820 -8.136 1.00 1.70 H new ATOM 841 N ASN A 144 -5.033 19.353 -10.835 1.00 0.86 N ATOM 842 CA ASN A 144 -4.454 20.737 -10.817 1.00 0.93 C ATOM 843 C ASN A 144 -5.446 21.756 -10.234 1.00 1.03 C ATOM 844 O ASN A 144 -6.069 22.516 -10.954 1.00 1.71 O ATOM 845 CB ASN A 144 -4.129 21.066 -12.283 1.00 1.08 C ATOM 846 CG ASN A 144 -2.659 20.749 -12.578 1.00 1.49 C ATOM 847 OD1 ASN A 144 -2.359 19.987 -13.474 1.00 2.18 O ATOM 848 ND2 ASN A 144 -1.721 21.308 -11.864 1.00 1.97 N ATOM 0 H ASN A 144 -4.450 18.646 -10.386 1.00 0.86 H new ATOM 0 HA ASN A 144 -3.568 20.786 -10.184 1.00 0.93 H new ATOM 0 HB2 ASN A 144 -4.774 20.489 -12.945 1.00 1.08 H new ATOM 0 HB3 ASN A 144 -4.329 22.119 -12.481 1.00 1.08 H new ATOM 0 HD21 ASN A 144 -0.741 21.104 -12.060 1.00 1.97 H new ATOM 0 HD22 ASN A 144 -1.968 21.949 -11.110 1.00 1.97 H new ATOM 855 N ASP A 145 -5.579 21.790 -8.933 1.00 0.88 N ATOM 856 CA ASP A 145 -6.515 22.778 -8.299 1.00 0.92 C ATOM 857 C ASP A 145 -5.741 23.924 -7.624 1.00 0.91 C ATOM 858 O ASP A 145 -6.304 24.698 -6.871 1.00 1.07 O ATOM 859 CB ASP A 145 -7.330 21.985 -7.263 1.00 0.93 C ATOM 860 CG ASP A 145 -6.421 21.254 -6.260 1.00 1.40 C ATOM 861 OD1 ASP A 145 -5.313 21.704 -6.026 1.00 1.89 O ATOM 862 OD2 ASP A 145 -6.860 20.245 -5.739 1.00 2.06 O ATOM 0 H ASP A 145 -5.084 21.181 -8.281 1.00 0.88 H new ATOM 0 HA ASP A 145 -7.160 23.242 -9.045 1.00 0.92 H new ATOM 0 HB2 ASP A 145 -7.993 22.663 -6.726 1.00 0.93 H new ATOM 0 HB3 ASP A 145 -7.963 21.260 -7.776 1.00 0.93 H new ATOM 867 N GLY A 146 -4.460 24.046 -7.887 1.00 0.84 N ATOM 868 CA GLY A 146 -3.668 25.146 -7.259 1.00 0.92 C ATOM 869 C GLY A 146 -2.641 24.585 -6.264 1.00 0.66 C ATOM 870 O GLY A 146 -1.607 25.188 -6.047 1.00 0.74 O ATOM 0 H GLY A 146 -3.933 23.432 -8.508 1.00 0.84 H new ATOM 0 HA2 GLY A 146 -3.156 25.718 -8.033 1.00 0.92 H new ATOM 0 HA3 GLY A 146 -4.339 25.835 -6.745 1.00 0.92 H new ATOM 874 N ARG A 147 -2.903 23.449 -5.648 1.00 0.56 N ATOM 875 CA ARG A 147 -1.911 22.893 -4.666 1.00 0.54 C ATOM 876 C ARG A 147 -2.054 21.367 -4.496 1.00 0.46 C ATOM 877 O ARG A 147 -3.131 20.812 -4.594 1.00 0.45 O ATOM 878 CB ARG A 147 -2.215 23.618 -3.345 1.00 0.77 C ATOM 879 CG ARG A 147 -3.610 23.228 -2.834 1.00 1.39 C ATOM 880 CD ARG A 147 -4.559 24.423 -2.964 1.00 1.79 C ATOM 881 NE ARG A 147 -5.878 23.922 -2.478 1.00 2.55 N ATOM 882 CZ ARG A 147 -6.628 23.193 -3.257 1.00 2.87 C ATOM 883 NH1 ARG A 147 -7.230 23.736 -4.274 1.00 3.10 N ATOM 884 NH2 ARG A 147 -6.776 21.924 -3.013 1.00 3.37 N1+ ATOM 0 H ARG A 147 -3.747 22.892 -5.781 1.00 0.56 H new ATOM 0 HA ARG A 147 -0.888 23.052 -5.006 1.00 0.54 H new ATOM 0 HB2 ARG A 147 -1.462 23.362 -2.600 1.00 0.77 H new ATOM 0 HB3 ARG A 147 -2.163 24.697 -3.493 1.00 0.77 H new ATOM 0 HG2 ARG A 147 -3.994 22.382 -3.405 1.00 1.39 H new ATOM 0 HG3 ARG A 147 -3.551 22.910 -1.793 1.00 1.39 H new ATOM 0 HD2 ARG A 147 -4.214 25.268 -2.368 1.00 1.79 H new ATOM 0 HD3 ARG A 147 -4.623 24.766 -3.997 1.00 1.79 H new ATOM 0 HE ARG A 147 -6.193 24.150 -1.535 1.00 2.55 H new ATOM 0 HH11 ARG A 147 -7.115 24.732 -4.462 1.00 3.10 H new ATOM 0 HH12 ARG A 147 -7.817 23.166 -4.883 1.00 3.10 H new ATOM 0 HH21 ARG A 147 -6.306 21.500 -2.213 1.00 3.37 H new ATOM 0 HH22 ARG A 147 -7.362 21.353 -3.621 1.00 3.37 H new ATOM 898 N ILE A 148 -0.961 20.692 -4.225 1.00 0.49 N ATOM 899 CA ILE A 148 -1.007 19.206 -4.025 1.00 0.44 C ATOM 900 C ILE A 148 -1.569 18.898 -2.630 1.00 0.46 C ATOM 901 O ILE A 148 -1.091 19.408 -1.633 1.00 0.63 O ATOM 902 CB ILE A 148 0.450 18.727 -4.138 1.00 0.46 C ATOM 903 CG1 ILE A 148 1.040 19.149 -5.486 1.00 0.56 C ATOM 904 CG2 ILE A 148 0.507 17.202 -4.042 1.00 0.47 C ATOM 905 CD1 ILE A 148 2.423 18.516 -5.652 1.00 0.63 C ATOM 0 H ILE A 148 -0.034 21.108 -4.133 1.00 0.49 H new ATOM 0 HA ILE A 148 -1.644 18.708 -4.756 1.00 0.44 H new ATOM 0 HB ILE A 148 1.023 19.175 -3.326 1.00 0.46 H new ATOM 0 HG12 ILE A 148 0.384 18.835 -6.298 1.00 0.56 H new ATOM 0 HG13 ILE A 148 1.116 20.235 -5.539 1.00 0.56 H new ATOM 0 HG21 ILE A 148 1.542 16.871 -4.123 1.00 0.47 H new ATOM 0 HG22 ILE A 148 0.098 16.882 -3.084 1.00 0.47 H new ATOM 0 HG23 ILE A 148 -0.078 16.764 -4.851 1.00 0.47 H new ATOM 0 HD11 ILE A 148 2.847 18.814 -6.611 1.00 0.63 H new ATOM 0 HD12 ILE A 148 3.076 18.852 -4.847 1.00 0.63 H new ATOM 0 HD13 ILE A 148 2.333 17.430 -5.617 1.00 0.63 H new ATOM 917 N ASP A 149 -2.589 18.080 -2.556 1.00 0.48 N ATOM 918 CA ASP A 149 -3.201 17.749 -1.231 1.00 0.53 C ATOM 919 C ASP A 149 -2.721 16.378 -0.726 1.00 0.53 C ATOM 920 O ASP A 149 -2.028 15.654 -1.416 1.00 0.63 O ATOM 921 CB ASP A 149 -4.715 17.736 -1.487 1.00 0.58 C ATOM 922 CG ASP A 149 -5.152 19.071 -2.096 1.00 1.05 C ATOM 923 OD1 ASP A 149 -5.309 20.020 -1.348 1.00 1.65 O ATOM 924 OD2 ASP A 149 -5.322 19.122 -3.301 1.00 1.84 O ATOM 0 H ASP A 149 -3.026 17.626 -3.358 1.00 0.48 H new ATOM 0 HA ASP A 149 -2.920 18.469 -0.463 1.00 0.53 H new ATOM 0 HB2 ASP A 149 -4.972 16.918 -2.160 1.00 0.58 H new ATOM 0 HB3 ASP A 149 -5.249 17.560 -0.553 1.00 0.58 H new ATOM 929 N TYR A 150 -3.090 16.031 0.482 1.00 0.58 N ATOM 930 CA TYR A 150 -2.675 14.717 1.075 1.00 0.60 C ATOM 931 C TYR A 150 -3.318 13.541 0.319 1.00 0.59 C ATOM 932 O TYR A 150 -2.709 12.502 0.136 1.00 0.63 O ATOM 933 CB TYR A 150 -3.196 14.772 2.515 1.00 0.73 C ATOM 934 CG TYR A 150 -2.482 13.751 3.370 1.00 0.72 C ATOM 935 CD1 TYR A 150 -2.933 12.425 3.402 1.00 1.22 C ATOM 936 CD2 TYR A 150 -1.374 14.132 4.139 1.00 1.15 C ATOM 937 CE1 TYR A 150 -2.277 11.483 4.201 1.00 1.56 C ATOM 938 CE2 TYR A 150 -0.719 13.187 4.937 1.00 1.43 C ATOM 939 CZ TYR A 150 -1.171 11.864 4.968 1.00 1.48 C ATOM 940 OH TYR A 150 -0.527 10.935 5.757 1.00 1.96 O ATOM 0 H TYR A 150 -3.669 16.608 1.092 1.00 0.58 H new ATOM 0 HA TYR A 150 -1.597 14.563 1.020 1.00 0.60 H new ATOM 0 HB2 TYR A 150 -3.045 15.770 2.926 1.00 0.73 H new ATOM 0 HB3 TYR A 150 -4.269 14.581 2.528 1.00 0.73 H new ATOM 0 HD1 TYR A 150 -3.787 12.130 2.810 1.00 1.22 H new ATOM 0 HD2 TYR A 150 -1.026 15.154 4.116 1.00 1.15 H new ATOM 0 HE1 TYR A 150 -2.625 10.461 4.226 1.00 1.56 H new ATOM 0 HE2 TYR A 150 0.136 13.480 5.529 1.00 1.43 H new ATOM 0 HH TYR A 150 -0.610 10.047 5.350 1.00 1.96 H new ATOM 950 N ASP A 151 -4.547 13.698 -0.109 1.00 0.64 N ATOM 951 CA ASP A 151 -5.249 12.595 -0.841 1.00 0.70 C ATOM 952 C ASP A 151 -4.546 12.287 -2.172 1.00 0.63 C ATOM 953 O ASP A 151 -4.290 11.142 -2.493 1.00 0.77 O ATOM 954 CB ASP A 151 -6.666 13.125 -1.081 1.00 0.79 C ATOM 955 CG ASP A 151 -7.411 13.225 0.253 1.00 1.24 C ATOM 956 OD1 ASP A 151 -7.224 14.216 0.941 1.00 1.90 O ATOM 957 OD2 ASP A 151 -8.151 12.309 0.566 1.00 1.83 O ATOM 0 H ASP A 151 -5.098 14.547 0.018 1.00 0.64 H new ATOM 0 HA ASP A 151 -5.250 11.663 -0.276 1.00 0.70 H new ATOM 0 HB2 ASP A 151 -6.623 14.104 -1.559 1.00 0.79 H new ATOM 0 HB3 ASP A 151 -7.203 12.462 -1.760 1.00 0.79 H new ATOM 962 N GLU A 152 -4.222 13.300 -2.941 1.00 0.54 N ATOM 963 CA GLU A 152 -3.526 13.063 -4.245 1.00 0.56 C ATOM 964 C GLU A 152 -2.065 12.641 -4.001 1.00 0.52 C ATOM 965 O GLU A 152 -1.452 11.994 -4.829 1.00 0.65 O ATOM 966 CB GLU A 152 -3.601 14.405 -4.982 1.00 0.60 C ATOM 967 CG GLU A 152 -4.948 14.514 -5.709 1.00 0.77 C ATOM 968 CD GLU A 152 -5.274 15.982 -5.994 1.00 0.72 C ATOM 969 OE1 GLU A 152 -5.820 16.629 -5.118 1.00 1.40 O ATOM 970 OE2 GLU A 152 -4.976 16.435 -7.087 1.00 1.17 O ATOM 0 H GLU A 152 -4.409 14.278 -2.722 1.00 0.54 H new ATOM 0 HA GLU A 152 -3.985 12.261 -4.824 1.00 0.56 H new ATOM 0 HB2 GLU A 152 -3.489 15.227 -4.275 1.00 0.60 H new ATOM 0 HB3 GLU A 152 -2.782 14.486 -5.697 1.00 0.60 H new ATOM 0 HG2 GLU A 152 -4.912 13.953 -6.643 1.00 0.77 H new ATOM 0 HG3 GLU A 152 -5.736 14.070 -5.100 1.00 0.77 H new ATOM 977 N PHE A 153 -1.514 12.997 -2.863 1.00 0.46 N ATOM 978 CA PHE A 153 -0.102 12.620 -2.542 1.00 0.46 C ATOM 979 C PHE A 153 0.034 11.098 -2.363 1.00 0.50 C ATOM 980 O PHE A 153 0.963 10.492 -2.860 1.00 0.64 O ATOM 981 CB PHE A 153 0.200 13.348 -1.226 1.00 0.49 C ATOM 982 CG PHE A 153 1.560 12.943 -0.715 1.00 0.48 C ATOM 983 CD1 PHE A 153 2.711 13.300 -1.424 1.00 0.52 C ATOM 984 CD2 PHE A 153 1.666 12.208 0.471 1.00 0.62 C ATOM 985 CE1 PHE A 153 3.969 12.921 -0.944 1.00 0.61 C ATOM 986 CE2 PHE A 153 2.922 11.831 0.950 1.00 0.73 C ATOM 987 CZ PHE A 153 4.073 12.186 0.243 1.00 0.68 C ATOM 0 H PHE A 153 -1.987 13.537 -2.139 1.00 0.46 H new ATOM 0 HA PHE A 153 0.589 12.896 -3.339 1.00 0.46 H new ATOM 0 HB2 PHE A 153 0.167 14.426 -1.381 1.00 0.49 H new ATOM 0 HB3 PHE A 153 -0.563 13.109 -0.485 1.00 0.49 H new ATOM 0 HD1 PHE A 153 2.629 13.867 -2.340 1.00 0.52 H new ATOM 0 HD2 PHE A 153 0.775 11.932 1.016 1.00 0.62 H new ATOM 0 HE1 PHE A 153 4.860 13.195 -1.489 1.00 0.61 H new ATOM 0 HE2 PHE A 153 3.004 11.265 1.866 1.00 0.73 H new ATOM 0 HZ PHE A 153 5.045 11.893 0.613 1.00 0.68 H new ATOM 997 N LEU A 154 -0.879 10.481 -1.650 1.00 0.53 N ATOM 998 CA LEU A 154 -0.800 9.000 -1.427 1.00 0.62 C ATOM 999 C LEU A 154 -0.951 8.238 -2.750 1.00 0.65 C ATOM 1000 O LEU A 154 -0.111 7.432 -3.105 1.00 0.83 O ATOM 1001 CB LEU A 154 -1.960 8.673 -0.480 1.00 0.75 C ATOM 1002 CG LEU A 154 -1.636 9.179 0.930 1.00 0.91 C ATOM 1003 CD1 LEU A 154 -2.646 8.611 1.928 1.00 1.65 C ATOM 1004 CD2 LEU A 154 -0.226 8.730 1.324 1.00 1.20 C ATOM 0 H LEU A 154 -1.678 10.940 -1.212 1.00 0.53 H new ATOM 0 HA LEU A 154 0.163 8.706 -1.010 1.00 0.62 H new ATOM 0 HB2 LEU A 154 -2.878 9.137 -0.841 1.00 0.75 H new ATOM 0 HB3 LEU A 154 -2.133 7.597 -0.460 1.00 0.75 H new ATOM 0 HG LEU A 154 -1.690 10.268 0.941 1.00 0.91 H new ATOM 0 HD11 LEU A 154 -2.412 8.973 2.929 1.00 1.65 H new ATOM 0 HD12 LEU A 154 -3.650 8.932 1.652 1.00 1.65 H new ATOM 0 HD13 LEU A 154 -2.597 7.522 1.916 1.00 1.65 H new ATOM 0 HD21 LEU A 154 0.004 9.090 2.327 1.00 1.20 H new ATOM 0 HD22 LEU A 154 -0.173 7.641 1.309 1.00 1.20 H new ATOM 0 HD23 LEU A 154 0.497 9.138 0.617 1.00 1.20 H new ATOM 1016 N GLU A 155 -2.011 8.489 -3.477 1.00 0.69 N ATOM 1017 CA GLU A 155 -2.229 7.787 -4.785 1.00 0.81 C ATOM 1018 C GLU A 155 -1.028 8.002 -5.717 1.00 0.76 C ATOM 1019 O GLU A 155 -0.704 7.152 -6.527 1.00 0.90 O ATOM 1020 CB GLU A 155 -3.497 8.422 -5.368 1.00 0.97 C ATOM 1021 CG GLU A 155 -4.724 7.586 -4.975 1.00 1.41 C ATOM 1022 CD GLU A 155 -4.701 7.283 -3.471 1.00 2.06 C ATOM 1023 OE1 GLU A 155 -4.973 8.185 -2.698 1.00 2.77 O ATOM 1024 OE2 GLU A 155 -4.406 6.152 -3.120 1.00 2.57 O ATOM 0 H GLU A 155 -2.741 9.154 -3.221 1.00 0.69 H new ATOM 0 HA GLU A 155 -2.335 6.709 -4.663 1.00 0.81 H new ATOM 0 HB2 GLU A 155 -3.607 9.442 -4.999 1.00 0.97 H new ATOM 0 HB3 GLU A 155 -3.419 8.482 -6.454 1.00 0.97 H new ATOM 0 HG2 GLU A 155 -5.637 8.124 -5.231 1.00 1.41 H new ATOM 0 HG3 GLU A 155 -4.734 6.654 -5.541 1.00 1.41 H new ATOM 1031 N PHE A 156 -0.356 9.123 -5.595 1.00 0.66 N ATOM 1032 CA PHE A 156 0.833 9.383 -6.460 1.00 0.77 C ATOM 1033 C PHE A 156 2.059 8.641 -5.910 1.00 0.71 C ATOM 1034 O PHE A 156 2.793 8.016 -6.651 1.00 0.88 O ATOM 1035 CB PHE A 156 1.057 10.900 -6.407 1.00 0.84 C ATOM 1036 CG PHE A 156 2.396 11.230 -7.027 1.00 1.01 C ATOM 1037 CD1 PHE A 156 2.488 11.495 -8.396 1.00 1.49 C ATOM 1038 CD2 PHE A 156 3.545 11.268 -6.230 1.00 1.09 C ATOM 1039 CE1 PHE A 156 3.729 11.800 -8.968 1.00 1.72 C ATOM 1040 CE2 PHE A 156 4.785 11.571 -6.803 1.00 1.31 C ATOM 1041 CZ PHE A 156 4.876 11.838 -8.172 1.00 1.53 C ATOM 0 H PHE A 156 -0.581 9.866 -4.934 1.00 0.66 H new ATOM 0 HA PHE A 156 0.677 9.035 -7.481 1.00 0.77 H new ATOM 0 HB2 PHE A 156 0.259 11.416 -6.941 1.00 0.84 H new ATOM 0 HB3 PHE A 156 1.026 11.248 -5.374 1.00 0.84 H new ATOM 0 HD1 PHE A 156 1.602 11.465 -9.013 1.00 1.49 H new ATOM 0 HD2 PHE A 156 3.475 11.063 -5.172 1.00 1.09 H new ATOM 0 HE1 PHE A 156 3.799 12.006 -10.026 1.00 1.72 H new ATOM 0 HE2 PHE A 156 5.672 11.599 -6.187 1.00 1.31 H new ATOM 0 HZ PHE A 156 5.833 12.074 -8.614 1.00 1.53 H new ATOM 1051 N MET A 157 2.291 8.713 -4.617 1.00 0.61 N ATOM 1052 CA MET A 157 3.479 8.016 -4.028 1.00 0.69 C ATOM 1053 C MET A 157 3.365 6.495 -4.208 1.00 0.83 C ATOM 1054 O MET A 157 4.359 5.796 -4.248 1.00 1.17 O ATOM 1055 CB MET A 157 3.479 8.391 -2.543 1.00 0.84 C ATOM 1056 CG MET A 157 4.095 9.784 -2.356 1.00 0.92 C ATOM 1057 SD MET A 157 5.654 9.900 -3.269 1.00 1.56 S ATOM 1058 CE MET A 157 6.684 8.978 -2.100 1.00 0.90 C ATOM 0 H MET A 157 1.711 9.222 -3.949 1.00 0.61 H new ATOM 0 HA MET A 157 4.405 8.315 -4.518 1.00 0.69 H new ATOM 0 HB2 MET A 157 2.460 8.380 -2.156 1.00 0.84 H new ATOM 0 HB3 MET A 157 4.045 7.654 -1.973 1.00 0.84 H new ATOM 0 HG2 MET A 157 3.401 10.548 -2.707 1.00 0.92 H new ATOM 0 HG3 MET A 157 4.269 9.974 -1.297 1.00 0.92 H new ATOM 0 HE1 MET A 157 7.632 9.497 -1.962 1.00 0.90 H new ATOM 0 HE2 MET A 157 6.169 8.903 -1.142 1.00 0.90 H new ATOM 0 HE3 MET A 157 6.872 7.978 -2.491 1.00 0.90 H new ATOM 1068 N LYS A 158 2.164 5.982 -4.332 1.00 0.86 N ATOM 1069 CA LYS A 158 1.987 4.507 -4.528 1.00 1.07 C ATOM 1070 C LYS A 158 2.618 4.055 -5.859 1.00 1.36 C ATOM 1071 O LYS A 158 2.947 2.896 -6.028 1.00 1.73 O ATOM 1072 CB LYS A 158 0.470 4.290 -4.546 1.00 1.28 C ATOM 1073 CG LYS A 158 -0.013 3.927 -3.137 1.00 1.66 C ATOM 1074 CD LYS A 158 -1.331 4.647 -2.836 1.00 2.24 C ATOM 1075 CE LYS A 158 -1.373 5.037 -1.354 1.00 2.85 C ATOM 1076 NZ LYS A 158 -2.821 5.106 -1.011 1.00 3.52 N1+ ATOM 0 H LYS A 158 1.298 6.521 -4.306 1.00 0.86 H new ATOM 0 HA LYS A 158 2.474 3.928 -3.743 1.00 1.07 H new ATOM 0 HB2 LYS A 158 -0.033 5.193 -4.893 1.00 1.28 H new ATOM 0 HB3 LYS A 158 0.214 3.494 -5.246 1.00 1.28 H new ATOM 0 HG2 LYS A 158 -0.151 2.849 -3.057 1.00 1.66 H new ATOM 0 HG3 LYS A 158 0.741 4.207 -2.401 1.00 1.66 H new ATOM 0 HD2 LYS A 158 -1.423 5.536 -3.460 1.00 2.24 H new ATOM 0 HD3 LYS A 158 -2.175 4.000 -3.077 1.00 2.24 H new ATOM 0 HE2 LYS A 158 -0.857 4.301 -0.738 1.00 2.85 H new ATOM 0 HE3 LYS A 158 -0.882 5.995 -1.185 1.00 2.85 H new ATOM 0 HZ1 LYS A 158 -2.944 5.649 -0.133 1.00 3.52 H new ATOM 0 HZ2 LYS A 158 -3.339 5.573 -1.783 1.00 3.52 H new ATOM 0 HZ3 LYS A 158 -3.192 4.144 -0.878 1.00 3.52 H new ATOM 1090 N GLY A 159 2.792 4.959 -6.801 1.00 1.73 N ATOM 1091 CA GLY A 159 3.402 4.576 -8.114 1.00 2.35 C ATOM 1092 C GLY A 159 4.592 5.490 -8.445 1.00 2.13 C ATOM 1093 O GLY A 159 4.804 5.847 -9.590 1.00 2.59 O ATOM 0 H GLY A 159 2.537 5.943 -6.714 1.00 1.73 H new ATOM 0 HA2 GLY A 159 3.733 3.538 -8.078 1.00 2.35 H new ATOM 0 HA3 GLY A 159 2.653 4.645 -8.903 1.00 2.35 H new ATOM 1097 N VAL A 160 5.378 5.860 -7.461 1.00 1.87 N ATOM 1098 CA VAL A 160 6.565 6.738 -7.730 1.00 1.87 C ATOM 1099 C VAL A 160 7.729 6.373 -6.793 1.00 2.39 C ATOM 1100 O VAL A 160 7.530 5.848 -5.712 1.00 3.11 O ATOM 1101 CB VAL A 160 6.080 8.180 -7.487 1.00 1.68 C ATOM 1102 CG1 VAL A 160 6.206 8.551 -6.005 1.00 1.89 C ATOM 1103 CG2 VAL A 160 6.930 9.148 -8.312 1.00 1.76 C ATOM 0 H VAL A 160 5.250 5.593 -6.485 1.00 1.87 H new ATOM 0 HA VAL A 160 6.940 6.616 -8.746 1.00 1.87 H new ATOM 0 HB VAL A 160 5.033 8.247 -7.783 1.00 1.68 H new ATOM 0 HG11 VAL A 160 5.858 9.573 -5.855 1.00 1.89 H new ATOM 0 HG12 VAL A 160 5.600 7.870 -5.407 1.00 1.89 H new ATOM 0 HG13 VAL A 160 7.249 8.474 -5.698 1.00 1.89 H new ATOM 0 HG21 VAL A 160 6.588 10.169 -8.141 1.00 1.76 H new ATOM 0 HG22 VAL A 160 7.975 9.060 -8.013 1.00 1.76 H new ATOM 0 HG23 VAL A 160 6.834 8.905 -9.370 1.00 1.76 H new ATOM 1113 N GLU A 161 8.941 6.648 -7.206 1.00 2.52 N ATOM 1114 CA GLU A 161 10.129 6.323 -6.353 1.00 3.28 C ATOM 1115 C GLU A 161 11.237 7.379 -6.534 1.00 3.90 C ATOM 1116 O GLU A 161 12.330 7.151 -6.041 1.00 4.34 O ATOM 1117 CB GLU A 161 10.606 4.940 -6.827 1.00 3.49 C ATOM 1118 CG GLU A 161 10.849 4.947 -8.342 1.00 4.11 C ATOM 1119 CD GLU A 161 9.754 4.143 -9.048 1.00 4.29 C ATOM 1120 OE1 GLU A 161 9.937 2.949 -9.216 1.00 4.60 O ATOM 1121 OE2 GLU A 161 8.752 4.735 -9.414 1.00 4.56 O ATOM 1122 OXT GLU A 161 10.974 8.399 -7.151 1.00 4.37 O ATOM 0 H GLU A 161 9.161 7.085 -8.101 1.00 2.52 H new ATOM 0 HA GLU A 161 9.877 6.320 -5.292 1.00 3.28 H new ATOM 0 HB2 GLU A 161 11.524 4.667 -6.307 1.00 3.49 H new ATOM 0 HB3 GLU A 161 9.861 4.186 -6.576 1.00 3.49 H new ATOM 0 HG2 GLU A 161 10.857 5.972 -8.713 1.00 4.11 H new ATOM 0 HG3 GLU A 161 11.827 4.520 -8.564 1.00 4.11 H new TER 1129 GLU A 161 HETATM 1130 CA CA A 1 3.343 24.861 0.526 1.00 0.75 CA HETATM 1131 CA CA A 2 -4.557 18.910 -5.814 1.00 0.00 CA HETATM 1132 C1 STL A 162 12.356 12.582 -2.747 1.00 20.00 C HETATM 1133 C2 STL A 162 13.035 11.441 -3.207 1.00 20.00 C HETATM 1134 C3 STL A 162 12.577 10.756 -4.342 1.00 20.00 C HETATM 1135 C4 STL A 162 11.433 11.214 -5.024 1.00 20.00 C HETATM 1136 C5 STL A 162 10.739 12.342 -4.563 1.00 20.00 C HETATM 1137 C6 STL A 162 11.207 13.035 -3.435 1.00 20.00 C HETATM 1138 C7 STL A 162 9.562 12.785 -5.144 1.00 20.00 C HETATM 1139 C8 STL A 162 8.417 13.155 -4.424 1.00 20.00 C HETATM 1140 C9 STL A 162 7.199 13.613 -4.906 1.00 20.00 C HETATM 1141 C10 STL A 162 7.048 14.276 -6.146 1.00 20.00 C HETATM 1142 C11 STL A 162 5.771 14.757 -6.533 1.00 20.00 C HETATM 1143 C12 STL A 162 4.680 14.546 -5.654 1.00 20.00 C HETATM 1144 C13 STL A 162 4.828 13.875 -4.416 1.00 20.00 C HETATM 1145 C14 STL A 162 6.096 13.406 -4.047 1.00 20.00 C HETATM 1146 O1 STL A 162 3.451 14.998 -6.012 1.00 20.00 O HETATM 1147 O2 STL A 162 13.230 9.653 -4.791 1.00 20.00 O HETATM 1148 O3 STL A 162 12.794 13.245 -1.652 1.00 20.00 O HETATM 0 HO3 STL A 162 12.207 14.010 -1.476 1.00 20.00 H new HETATM 0 HO2 STL A 162 12.579 8.956 -5.016 1.00 20.00 H new HETATM 0 HO1 STL A 162 2.804 14.778 -5.309 1.00 20.00 H new HETATM 0 H8 STL A 162 8.494 13.072 -3.340 1.00 20.00 H new HETATM 0 H7 STL A 162 9.523 12.850 -6.231 1.00 20.00 H new HETATM 0 H6 STL A 162 10.683 13.925 -3.089 1.00 20.00 H new HETATM 0 H4 STL A 162 11.086 10.689 -5.914 1.00 20.00 H new HETATM 0 H2 STL A 162 13.921 11.087 -2.680 1.00 20.00 H new HETATM 0 H14 STL A 162 6.231 12.883 -3.100 1.00 20.00 H new HETATM 0 H13 STL A 162 3.970 13.726 -3.761 1.00 20.00 H new HETATM 0 H11 STL A 162 5.633 15.275 -7.482 1.00 20.00 H new HETATM 0 H10 STL A 162 7.908 14.417 -6.801 1.00 20.00 H new