USER MOD reduce.3.24.130724 H: found=0, std=0, add=402, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 403 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 124 SER OG : rot -146:sc= 0.499 USER MOD Set 1.2: A 127 THR OG1 : rot 180:sc= 1.03 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.368 USER MOD Single : A 102 SER OG : rot 33:sc= 0.0318 USER MOD Single : A 104 HIS : no HD1:sc= -5.75! C(o=-5.7!,f=-6.7!) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= -0.494 X(o=-0.49,f=-0.37) USER MOD Single : A 113 ASN : amide:sc= -0.446 K(o=-0.45,f=-3.8!) USER MOD Single : A 114 SER OG : rot 180:sc= 0.0322 USER MOD Single : A 126 THR OG1 : rot 180:sc= 0 USER MOD Single : A 130 THR OG1 : rot 180:sc= -3.04! USER MOD Single : A 132 TYR OH : rot 33:sc= 0.949 USER MOD Single : A 135 SER OG : rot 180:sc= -0.0441 USER MOD Single : A 136 ASN : amide:sc= -0.608 K(o=-0.61,f=-1.4!) USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 33 N LEU A 86 -8.027 5.627 -9.357 1.00 0.00 N ATOM 34 CA LEU A 86 -6.583 5.983 -9.430 1.00 0.00 C ATOM 35 C LEU A 86 -6.160 6.660 -8.126 1.00 0.00 C ATOM 36 O LEU A 86 -6.832 7.540 -7.625 1.00 0.00 O ATOM 37 CB LEU A 86 -6.345 6.938 -10.601 1.00 0.00 C ATOM 38 CG LEU A 86 -5.249 6.371 -11.502 1.00 0.00 C ATOM 39 CD1 LEU A 86 -5.694 5.018 -12.058 1.00 0.00 C ATOM 40 CD2 LEU A 86 -4.991 7.338 -12.661 1.00 0.00 C ATOM 0 HA LEU A 86 -5.995 5.077 -9.579 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.266 7.071 -11.169 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.054 7.921 -10.230 1.00 0.00 H new ATOM 0 HG LEU A 86 -4.334 6.243 -10.924 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -4.912 4.614 -12.701 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -5.879 4.329 -11.234 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -6.609 5.145 -12.636 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.209 6.934 -13.304 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.906 7.466 -13.239 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.674 8.303 -12.266 1.00 0.00 H new ATOM 52 N PHE A 87 -5.050 6.256 -7.570 1.00 0.00 N ATOM 53 CA PHE A 87 -4.589 6.876 -6.297 1.00 0.00 C ATOM 54 C PHE A 87 -3.168 7.414 -6.476 1.00 0.00 C ATOM 55 O PHE A 87 -2.557 7.252 -7.513 1.00 0.00 O ATOM 56 CB PHE A 87 -4.600 5.825 -5.186 1.00 0.00 C ATOM 57 CG PHE A 87 -6.025 5.531 -4.786 1.00 0.00 C ATOM 58 CD1 PHE A 87 -6.918 4.995 -5.721 1.00 0.00 C ATOM 59 CD2 PHE A 87 -6.454 5.795 -3.480 1.00 0.00 C ATOM 60 CE1 PHE A 87 -8.240 4.721 -5.350 1.00 0.00 C ATOM 61 CE2 PHE A 87 -7.775 5.522 -3.109 1.00 0.00 C ATOM 62 CZ PHE A 87 -8.670 4.986 -4.043 1.00 0.00 C ATOM 0 H PHE A 87 -4.444 5.525 -7.942 1.00 0.00 H new ATOM 0 HA PHE A 87 -5.256 7.696 -6.029 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -4.112 4.913 -5.529 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -4.036 6.184 -4.325 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -6.587 4.793 -6.729 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -5.765 6.209 -2.759 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -8.928 4.305 -6.071 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -8.105 5.725 -2.101 1.00 0.00 H new ATOM 0 HZ PHE A 87 -9.690 4.777 -3.756 1.00 0.00 H new ATOM 72 N VAL A 88 -2.638 8.053 -5.470 1.00 0.00 N ATOM 73 CA VAL A 88 -1.256 8.601 -5.576 1.00 0.00 C ATOM 74 C VAL A 88 -0.545 8.430 -4.233 1.00 0.00 C ATOM 75 O VAL A 88 -1.159 8.463 -3.186 1.00 0.00 O ATOM 76 CB VAL A 88 -1.314 10.090 -5.932 1.00 0.00 C ATOM 77 CG1 VAL A 88 -0.109 10.453 -6.802 1.00 0.00 C ATOM 78 CG2 VAL A 88 -2.603 10.391 -6.703 1.00 0.00 C ATOM 0 H VAL A 88 -3.103 8.220 -4.578 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.713 8.066 -6.355 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.297 10.678 -5.014 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.149 11.512 -7.056 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.811 10.246 -6.255 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.128 9.860 -7.716 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.638 11.451 -6.953 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.625 9.801 -7.619 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.464 10.135 -6.086 1.00 0.00 H new ATOM 88 N ALA A 89 0.747 8.251 -4.253 1.00 0.00 N ATOM 89 CA ALA A 89 1.492 8.080 -2.975 1.00 0.00 C ATOM 90 C ALA A 89 1.661 9.442 -2.301 1.00 0.00 C ATOM 91 O ALA A 89 2.297 10.333 -2.828 1.00 0.00 O ATOM 92 CB ALA A 89 2.868 7.475 -3.261 1.00 0.00 C ATOM 0 H ALA A 89 1.318 8.216 -5.098 1.00 0.00 H new ATOM 0 HA ALA A 89 0.936 7.414 -2.315 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.412 7.350 -2.325 1.00 0.00 H new ATOM 0 HB2 ALA A 89 2.746 6.504 -3.742 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.427 8.139 -3.920 1.00 0.00 H new ATOM 98 N LEU A 90 1.092 9.613 -1.138 1.00 0.00 N ATOM 99 CA LEU A 90 1.215 10.920 -0.432 1.00 0.00 C ATOM 100 C LEU A 90 2.654 11.113 0.052 1.00 0.00 C ATOM 101 O LEU A 90 3.054 12.201 0.417 1.00 0.00 O ATOM 102 CB LEU A 90 0.269 10.941 0.771 1.00 0.00 C ATOM 103 CG LEU A 90 -1.165 10.704 0.299 1.00 0.00 C ATOM 104 CD1 LEU A 90 -1.959 10.008 1.405 1.00 0.00 C ATOM 105 CD2 LEU A 90 -1.820 12.048 -0.030 1.00 0.00 C ATOM 0 H LEU A 90 0.548 8.904 -0.647 1.00 0.00 H new ATOM 0 HA LEU A 90 0.953 11.725 -1.119 1.00 0.00 H new ATOM 0 HB2 LEU A 90 0.558 10.172 1.488 1.00 0.00 H new ATOM 0 HB3 LEU A 90 0.340 11.899 1.285 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.155 10.075 -0.591 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.982 9.839 1.068 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -1.492 9.052 1.641 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -1.970 10.636 2.296 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.843 11.881 -0.367 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.829 12.676 0.861 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -1.255 12.545 -0.818 1.00 0.00 H new ATOM 117 N TYR A 91 3.439 10.069 0.059 1.00 0.00 N ATOM 118 CA TYR A 91 4.851 10.207 0.522 1.00 0.00 C ATOM 119 C TYR A 91 5.733 9.205 -0.223 1.00 0.00 C ATOM 120 O TYR A 91 5.253 8.353 -0.945 1.00 0.00 O ATOM 121 CB TYR A 91 4.940 9.928 2.029 1.00 0.00 C ATOM 122 CG TYR A 91 3.603 10.182 2.687 1.00 0.00 C ATOM 123 CD1 TYR A 91 3.159 11.493 2.893 1.00 0.00 C ATOM 124 CD2 TYR A 91 2.809 9.102 3.095 1.00 0.00 C ATOM 125 CE1 TYR A 91 1.923 11.726 3.506 1.00 0.00 C ATOM 126 CE2 TYR A 91 1.573 9.335 3.708 1.00 0.00 C ATOM 127 CZ TYR A 91 1.130 10.647 3.914 1.00 0.00 C ATOM 128 OH TYR A 91 -0.090 10.877 4.519 1.00 0.00 O ATOM 0 H TYR A 91 3.166 9.131 -0.234 1.00 0.00 H new ATOM 0 HA TYR A 91 5.191 11.223 0.321 1.00 0.00 H new ATOM 0 HB2 TYR A 91 5.246 8.896 2.198 1.00 0.00 H new ATOM 0 HB3 TYR A 91 5.702 10.564 2.480 1.00 0.00 H new ATOM 0 HD1 TYR A 91 3.771 12.326 2.579 1.00 0.00 H new ATOM 0 HD2 TYR A 91 3.151 8.090 2.936 1.00 0.00 H new ATOM 0 HE1 TYR A 91 1.581 12.738 3.664 1.00 0.00 H new ATOM 0 HE2 TYR A 91 0.961 8.503 4.022 1.00 0.00 H new ATOM 0 HH TYR A 91 -0.513 10.021 4.739 1.00 0.00 H new ATOM 138 N ASP A 92 7.023 9.295 -0.047 1.00 0.00 N ATOM 139 CA ASP A 92 7.939 8.345 -0.736 1.00 0.00 C ATOM 140 C ASP A 92 7.849 6.979 -0.054 1.00 0.00 C ATOM 141 O ASP A 92 7.384 6.864 1.063 1.00 0.00 O ATOM 142 CB ASP A 92 9.375 8.867 -0.649 1.00 0.00 C ATOM 143 CG ASP A 92 10.184 8.337 -1.834 1.00 0.00 C ATOM 144 OD1 ASP A 92 10.602 7.192 -1.777 1.00 0.00 O ATOM 145 OD2 ASP A 92 10.373 9.085 -2.779 1.00 0.00 O ATOM 0 H ASP A 92 7.482 9.987 0.545 1.00 0.00 H new ATOM 0 HA ASP A 92 7.652 8.252 -1.783 1.00 0.00 H new ATOM 0 HB2 ASP A 92 9.378 9.957 -0.652 1.00 0.00 H new ATOM 0 HB3 ASP A 92 9.832 8.550 0.288 1.00 0.00 H new ATOM 150 N TYR A 93 8.286 5.941 -0.712 1.00 0.00 N ATOM 151 CA TYR A 93 8.219 4.589 -0.091 1.00 0.00 C ATOM 152 C TYR A 93 9.295 3.686 -0.698 1.00 0.00 C ATOM 153 O TYR A 93 9.362 3.505 -1.897 1.00 0.00 O ATOM 154 CB TYR A 93 6.840 3.979 -0.346 1.00 0.00 C ATOM 155 CG TYR A 93 6.732 2.658 0.380 1.00 0.00 C ATOM 156 CD1 TYR A 93 6.962 2.598 1.759 1.00 0.00 C ATOM 157 CD2 TYR A 93 6.404 1.495 -0.327 1.00 0.00 C ATOM 158 CE1 TYR A 93 6.866 1.374 2.432 1.00 0.00 C ATOM 159 CE2 TYR A 93 6.307 0.271 0.347 1.00 0.00 C ATOM 160 CZ TYR A 93 6.538 0.211 1.726 1.00 0.00 C ATOM 161 OH TYR A 93 6.443 -0.996 2.391 1.00 0.00 O ATOM 0 H TYR A 93 8.685 5.970 -1.650 1.00 0.00 H new ATOM 0 HA TYR A 93 8.387 4.678 0.982 1.00 0.00 H new ATOM 0 HB2 TYR A 93 6.060 4.659 -0.003 1.00 0.00 H new ATOM 0 HB3 TYR A 93 6.687 3.832 -1.415 1.00 0.00 H new ATOM 0 HD1 TYR A 93 7.214 3.496 2.304 1.00 0.00 H new ATOM 0 HD2 TYR A 93 6.226 1.542 -1.391 1.00 0.00 H new ATOM 0 HE1 TYR A 93 7.045 1.327 3.496 1.00 0.00 H new ATOM 0 HE2 TYR A 93 6.054 -0.627 -0.198 1.00 0.00 H new ATOM 0 HH TYR A 93 6.206 -1.702 1.754 1.00 0.00 H new ATOM 171 N GLU A 94 10.134 3.116 0.123 1.00 0.00 N ATOM 172 CA GLU A 94 11.202 2.220 -0.402 1.00 0.00 C ATOM 173 C GLU A 94 10.904 0.778 0.019 1.00 0.00 C ATOM 174 O GLU A 94 11.544 0.232 0.895 1.00 0.00 O ATOM 175 CB GLU A 94 12.555 2.651 0.166 1.00 0.00 C ATOM 176 CG GLU A 94 12.367 3.160 1.595 1.00 0.00 C ATOM 177 CD GLU A 94 11.982 4.641 1.564 1.00 0.00 C ATOM 178 OE1 GLU A 94 12.334 5.304 0.602 1.00 0.00 O ATOM 179 OE2 GLU A 94 11.341 5.086 2.502 1.00 0.00 O ATOM 0 H GLU A 94 10.126 3.233 1.136 1.00 0.00 H new ATOM 0 HA GLU A 94 11.231 2.283 -1.490 1.00 0.00 H new ATOM 0 HB2 GLU A 94 13.250 1.812 0.156 1.00 0.00 H new ATOM 0 HB3 GLU A 94 12.990 3.433 -0.456 1.00 0.00 H new ATOM 0 HG2 GLU A 94 11.592 2.582 2.099 1.00 0.00 H new ATOM 0 HG3 GLU A 94 13.286 3.024 2.164 1.00 0.00 H new ATOM 186 N ALA A 95 9.931 0.162 -0.598 1.00 0.00 N ATOM 187 CA ALA A 95 9.579 -1.242 -0.238 1.00 0.00 C ATOM 188 C ALA A 95 10.852 -2.062 -0.025 1.00 0.00 C ATOM 189 O ALA A 95 11.738 -2.082 -0.855 1.00 0.00 O ATOM 190 CB ALA A 95 8.758 -1.864 -1.369 1.00 0.00 C ATOM 0 H ALA A 95 9.363 0.573 -1.339 1.00 0.00 H new ATOM 0 HA ALA A 95 8.997 -1.240 0.683 1.00 0.00 H new ATOM 0 HB1 ALA A 95 8.499 -2.890 -1.109 1.00 0.00 H new ATOM 0 HB2 ALA A 95 7.846 -1.286 -1.517 1.00 0.00 H new ATOM 0 HB3 ALA A 95 9.343 -1.859 -2.289 1.00 0.00 H new ATOM 196 N ARG A 96 10.946 -2.747 1.083 1.00 0.00 N ATOM 197 CA ARG A 96 12.155 -3.574 1.351 1.00 0.00 C ATOM 198 C ARG A 96 11.811 -5.052 1.150 1.00 0.00 C ATOM 199 O ARG A 96 12.601 -5.929 1.437 1.00 0.00 O ATOM 200 CB ARG A 96 12.622 -3.349 2.791 1.00 0.00 C ATOM 201 CG ARG A 96 11.459 -3.605 3.753 1.00 0.00 C ATOM 202 CD ARG A 96 11.965 -3.538 5.195 1.00 0.00 C ATOM 203 NE ARG A 96 12.787 -2.308 5.376 1.00 0.00 N ATOM 204 CZ ARG A 96 13.485 -2.146 6.466 1.00 0.00 C ATOM 205 NH1 ARG A 96 14.068 -3.171 7.025 1.00 0.00 N ATOM 206 NH2 ARG A 96 13.602 -0.959 6.996 1.00 0.00 N ATOM 0 H ARG A 96 10.236 -2.769 1.815 1.00 0.00 H new ATOM 0 HA ARG A 96 12.952 -3.287 0.665 1.00 0.00 H new ATOM 0 HB2 ARG A 96 13.453 -4.015 3.023 1.00 0.00 H new ATOM 0 HB3 ARG A 96 12.988 -2.329 2.910 1.00 0.00 H new ATOM 0 HG2 ARG A 96 10.674 -2.865 3.597 1.00 0.00 H new ATOM 0 HG3 ARG A 96 11.019 -4.582 3.556 1.00 0.00 H new ATOM 0 HD2 ARG A 96 11.123 -3.531 5.887 1.00 0.00 H new ATOM 0 HD3 ARG A 96 12.559 -4.423 5.425 1.00 0.00 H new ATOM 0 HE ARG A 96 12.804 -1.594 4.648 1.00 0.00 H new ATOM 0 HH11 ARG A 96 13.978 -4.098 6.610 1.00 0.00 H new ATOM 0 HH12 ARG A 96 14.614 -3.045 7.877 1.00 0.00 H new ATOM 0 HH21 ARG A 96 13.148 -0.158 6.558 1.00 0.00 H new ATOM 0 HH22 ARG A 96 14.148 -0.833 7.848 1.00 0.00 H new ATOM 220 N THR A 97 10.635 -5.336 0.658 1.00 0.00 N ATOM 221 CA THR A 97 10.241 -6.757 0.439 1.00 0.00 C ATOM 222 C THR A 97 10.062 -7.011 -1.060 1.00 0.00 C ATOM 223 O THR A 97 10.051 -6.095 -1.858 1.00 0.00 O ATOM 224 CB THR A 97 8.924 -7.039 1.165 1.00 0.00 C ATOM 225 OG1 THR A 97 7.839 -6.597 0.363 1.00 0.00 O ATOM 226 CG2 THR A 97 8.908 -6.299 2.503 1.00 0.00 C ATOM 0 H THR A 97 9.931 -4.645 0.398 1.00 0.00 H new ATOM 0 HA THR A 97 11.018 -7.414 0.829 1.00 0.00 H new ATOM 0 HB THR A 97 8.830 -8.110 1.345 1.00 0.00 H new ATOM 0 HG1 THR A 97 6.995 -6.779 0.826 1.00 0.00 H new ATOM 0 HG21 THR A 97 7.969 -6.501 3.019 1.00 0.00 H new ATOM 0 HG22 THR A 97 9.741 -6.641 3.118 1.00 0.00 H new ATOM 0 HG23 THR A 97 9.002 -5.227 2.327 1.00 0.00 H new ATOM 234 N GLU A 98 9.924 -8.249 -1.450 1.00 0.00 N ATOM 235 CA GLU A 98 9.749 -8.560 -2.897 1.00 0.00 C ATOM 236 C GLU A 98 8.257 -8.634 -3.231 1.00 0.00 C ATOM 237 O GLU A 98 7.870 -9.142 -4.265 1.00 0.00 O ATOM 238 CB GLU A 98 10.405 -9.905 -3.212 1.00 0.00 C ATOM 239 CG GLU A 98 11.925 -9.772 -3.107 1.00 0.00 C ATOM 240 CD GLU A 98 12.506 -11.045 -2.490 1.00 0.00 C ATOM 241 OE1 GLU A 98 12.297 -11.257 -1.307 1.00 0.00 O ATOM 242 OE2 GLU A 98 13.150 -11.788 -3.213 1.00 0.00 O ATOM 0 H GLU A 98 9.925 -9.058 -0.829 1.00 0.00 H new ATOM 0 HA GLU A 98 10.216 -7.776 -3.493 1.00 0.00 H new ATOM 0 HB2 GLU A 98 10.048 -10.666 -2.519 1.00 0.00 H new ATOM 0 HB3 GLU A 98 10.127 -10.231 -4.214 1.00 0.00 H new ATOM 0 HG2 GLU A 98 12.355 -9.604 -4.094 1.00 0.00 H new ATOM 0 HG3 GLU A 98 12.184 -8.908 -2.496 1.00 0.00 H new ATOM 249 N ASP A 99 7.415 -8.135 -2.367 1.00 0.00 N ATOM 250 CA ASP A 99 5.952 -8.185 -2.643 1.00 0.00 C ATOM 251 C ASP A 99 5.413 -6.763 -2.813 1.00 0.00 C ATOM 252 O ASP A 99 4.701 -6.467 -3.753 1.00 0.00 O ATOM 253 CB ASP A 99 5.236 -8.866 -1.474 1.00 0.00 C ATOM 254 CG ASP A 99 6.028 -10.101 -1.040 1.00 0.00 C ATOM 255 OD1 ASP A 99 6.756 -10.633 -1.862 1.00 0.00 O ATOM 256 OD2 ASP A 99 5.893 -10.494 0.107 1.00 0.00 O ATOM 0 H ASP A 99 7.677 -7.696 -1.484 1.00 0.00 H new ATOM 0 HA ASP A 99 5.775 -8.751 -3.558 1.00 0.00 H new ATOM 0 HB2 ASP A 99 5.138 -8.172 -0.639 1.00 0.00 H new ATOM 0 HB3 ASP A 99 4.227 -9.153 -1.769 1.00 0.00 H new ATOM 261 N ASP A 100 5.747 -5.878 -1.915 1.00 0.00 N ATOM 262 CA ASP A 100 5.252 -4.477 -2.032 1.00 0.00 C ATOM 263 C ASP A 100 5.957 -3.790 -3.204 1.00 0.00 C ATOM 264 O ASP A 100 6.870 -4.332 -3.794 1.00 0.00 O ATOM 265 CB ASP A 100 5.555 -3.719 -0.737 1.00 0.00 C ATOM 266 CG ASP A 100 4.736 -4.318 0.407 1.00 0.00 C ATOM 267 OD1 ASP A 100 3.548 -4.521 0.217 1.00 0.00 O ATOM 268 OD2 ASP A 100 5.310 -4.563 1.456 1.00 0.00 O ATOM 0 H ASP A 100 6.340 -6.064 -1.106 1.00 0.00 H new ATOM 0 HA ASP A 100 4.176 -4.481 -2.204 1.00 0.00 H new ATOM 0 HB2 ASP A 100 6.619 -3.780 -0.508 1.00 0.00 H new ATOM 0 HB3 ASP A 100 5.315 -2.663 -0.856 1.00 0.00 H new ATOM 273 N LEU A 101 5.541 -2.601 -3.548 1.00 0.00 N ATOM 274 CA LEU A 101 6.190 -1.888 -4.683 1.00 0.00 C ATOM 275 C LEU A 101 6.996 -0.703 -4.150 1.00 0.00 C ATOM 276 O LEU A 101 6.862 -0.307 -3.009 1.00 0.00 O ATOM 277 CB LEU A 101 5.120 -1.382 -5.652 1.00 0.00 C ATOM 278 CG LEU A 101 4.271 -2.558 -6.137 1.00 0.00 C ATOM 279 CD1 LEU A 101 2.787 -2.200 -6.032 1.00 0.00 C ATOM 280 CD2 LEU A 101 4.618 -2.867 -7.596 1.00 0.00 C ATOM 0 H LEU A 101 4.782 -2.094 -3.093 1.00 0.00 H new ATOM 0 HA LEU A 101 6.856 -2.575 -5.206 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.488 -0.643 -5.159 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.589 -0.885 -6.501 1.00 0.00 H new ATOM 0 HG LEU A 101 4.476 -3.432 -5.518 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.185 -3.040 -6.378 1.00 0.00 H new ATOM 0 HD12 LEU A 101 2.539 -1.979 -4.994 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.579 -1.326 -6.649 1.00 0.00 H new ATOM 0 HD21 LEU A 101 4.014 -3.705 -7.944 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.413 -1.991 -8.212 1.00 0.00 H new ATOM 0 HD23 LEU A 101 5.674 -3.125 -7.672 1.00 0.00 H new ATOM 292 N SER A 102 7.833 -0.131 -4.972 1.00 0.00 N ATOM 293 CA SER A 102 8.649 1.031 -4.521 1.00 0.00 C ATOM 294 C SER A 102 8.334 2.239 -5.407 1.00 0.00 C ATOM 295 O SER A 102 8.206 2.119 -6.609 1.00 0.00 O ATOM 296 CB SER A 102 10.134 0.686 -4.638 1.00 0.00 C ATOM 297 OG SER A 102 10.910 1.809 -4.244 1.00 0.00 O ATOM 0 H SER A 102 7.987 -0.419 -5.938 1.00 0.00 H new ATOM 0 HA SER A 102 8.413 1.266 -3.483 1.00 0.00 H new ATOM 0 HB2 SER A 102 10.370 -0.172 -4.009 1.00 0.00 H new ATOM 0 HB3 SER A 102 10.374 0.405 -5.664 1.00 0.00 H new ATOM 0 HG SER A 102 10.435 2.306 -3.545 1.00 0.00 H new ATOM 303 N PHE A 103 8.206 3.401 -4.827 1.00 0.00 N ATOM 304 CA PHE A 103 7.896 4.604 -5.647 1.00 0.00 C ATOM 305 C PHE A 103 8.182 5.872 -4.840 1.00 0.00 C ATOM 306 O PHE A 103 8.727 5.822 -3.755 1.00 0.00 O ATOM 307 CB PHE A 103 6.419 4.580 -6.045 1.00 0.00 C ATOM 308 CG PHE A 103 5.577 4.226 -4.843 1.00 0.00 C ATOM 309 CD1 PHE A 103 5.332 5.184 -3.852 1.00 0.00 C ATOM 310 CD2 PHE A 103 5.038 2.939 -4.721 1.00 0.00 C ATOM 311 CE1 PHE A 103 4.549 4.856 -2.738 1.00 0.00 C ATOM 312 CE2 PHE A 103 4.255 2.611 -3.607 1.00 0.00 C ATOM 313 CZ PHE A 103 4.010 3.570 -2.616 1.00 0.00 C ATOM 0 H PHE A 103 8.302 3.568 -3.825 1.00 0.00 H new ATOM 0 HA PHE A 103 8.519 4.599 -6.541 1.00 0.00 H new ATOM 0 HB2 PHE A 103 6.121 5.553 -6.436 1.00 0.00 H new ATOM 0 HB3 PHE A 103 6.258 3.853 -6.841 1.00 0.00 H new ATOM 0 HD1 PHE A 103 5.747 6.177 -3.947 1.00 0.00 H new ATOM 0 HD2 PHE A 103 5.226 2.200 -5.486 1.00 0.00 H new ATOM 0 HE1 PHE A 103 4.361 5.595 -1.973 1.00 0.00 H new ATOM 0 HE2 PHE A 103 3.840 1.618 -3.512 1.00 0.00 H new ATOM 0 HZ PHE A 103 3.405 3.317 -1.758 1.00 0.00 H new ATOM 323 N HIS A 104 7.816 7.009 -5.367 1.00 0.00 N ATOM 324 CA HIS A 104 8.061 8.286 -4.640 1.00 0.00 C ATOM 325 C HIS A 104 6.782 9.124 -4.645 1.00 0.00 C ATOM 326 O HIS A 104 5.987 9.053 -5.561 1.00 0.00 O ATOM 327 CB HIS A 104 9.182 9.060 -5.336 1.00 0.00 C ATOM 328 CG HIS A 104 10.409 8.194 -5.427 1.00 0.00 C ATOM 329 ND1 HIS A 104 10.419 6.995 -6.123 1.00 0.00 N ATOM 330 CD2 HIS A 104 11.674 8.341 -4.915 1.00 0.00 C ATOM 331 CE1 HIS A 104 11.653 6.472 -6.011 1.00 0.00 C ATOM 332 NE2 HIS A 104 12.459 7.252 -5.285 1.00 0.00 N ATOM 0 H HIS A 104 7.357 7.108 -6.272 1.00 0.00 H new ATOM 0 HA HIS A 104 8.352 8.072 -3.612 1.00 0.00 H new ATOM 0 HB2 HIS A 104 8.864 9.364 -6.333 1.00 0.00 H new ATOM 0 HB3 HIS A 104 9.407 9.971 -4.782 1.00 0.00 H new ATOM 0 HD2 HIS A 104 12.010 9.175 -4.316 1.00 0.00 H new ATOM 0 HE1 HIS A 104 11.956 5.535 -6.454 1.00 0.00 H new ATOM 0 HE2 HIS A 104 13.438 7.086 -5.052 1.00 0.00 H new ATOM 340 N LYS A 105 6.575 9.917 -3.631 1.00 0.00 N ATOM 341 CA LYS A 105 5.345 10.759 -3.581 1.00 0.00 C ATOM 342 C LYS A 105 5.105 11.391 -4.954 1.00 0.00 C ATOM 343 O LYS A 105 6.002 11.940 -5.561 1.00 0.00 O ATOM 344 CB LYS A 105 5.524 11.863 -2.538 1.00 0.00 C ATOM 345 CG LYS A 105 4.301 12.781 -2.551 1.00 0.00 C ATOM 346 CD LYS A 105 4.586 13.999 -3.432 1.00 0.00 C ATOM 347 CE LYS A 105 4.286 15.278 -2.649 1.00 0.00 C ATOM 348 NZ LYS A 105 5.359 16.280 -2.902 1.00 0.00 N ATOM 0 H LYS A 105 7.204 10.019 -2.834 1.00 0.00 H new ATOM 0 HA LYS A 105 4.491 10.138 -3.310 1.00 0.00 H new ATOM 0 HB2 LYS A 105 5.653 11.425 -1.548 1.00 0.00 H new ATOM 0 HB3 LYS A 105 6.425 12.437 -2.752 1.00 0.00 H new ATOM 0 HG2 LYS A 105 3.432 12.242 -2.928 1.00 0.00 H new ATOM 0 HG3 LYS A 105 4.062 13.101 -1.537 1.00 0.00 H new ATOM 0 HD2 LYS A 105 5.628 13.993 -3.753 1.00 0.00 H new ATOM 0 HD3 LYS A 105 3.974 13.960 -4.333 1.00 0.00 H new ATOM 0 HE2 LYS A 105 3.319 15.682 -2.949 1.00 0.00 H new ATOM 0 HE3 LYS A 105 4.223 15.058 -1.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 5.155 17.150 -2.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 6.274 15.893 -2.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 5.398 16.498 -3.918 1.00 0.00 H new ATOM 362 N GLY A 106 3.899 11.318 -5.449 1.00 0.00 N ATOM 363 CA GLY A 106 3.604 11.916 -6.781 1.00 0.00 C ATOM 364 C GLY A 106 3.272 10.807 -7.781 1.00 0.00 C ATOM 365 O GLY A 106 2.670 11.044 -8.809 1.00 0.00 O ATOM 0 H GLY A 106 3.107 10.870 -4.989 1.00 0.00 H new ATOM 0 HA2 GLY A 106 2.767 12.610 -6.702 1.00 0.00 H new ATOM 0 HA3 GLY A 106 4.462 12.490 -7.131 1.00 0.00 H new ATOM 369 N GLU A 107 3.660 9.596 -7.490 1.00 0.00 N ATOM 370 CA GLU A 107 3.366 8.475 -8.427 1.00 0.00 C ATOM 371 C GLU A 107 1.909 8.039 -8.261 1.00 0.00 C ATOM 372 O GLU A 107 1.331 8.162 -7.200 1.00 0.00 O ATOM 373 CB GLU A 107 4.289 7.294 -8.118 1.00 0.00 C ATOM 374 CG GLU A 107 4.845 6.725 -9.424 1.00 0.00 C ATOM 375 CD GLU A 107 6.310 6.331 -9.229 1.00 0.00 C ATOM 376 OE1 GLU A 107 6.549 5.288 -8.642 1.00 0.00 O ATOM 377 OE2 GLU A 107 7.168 7.078 -9.671 1.00 0.00 O ATOM 0 H GLU A 107 4.167 9.334 -6.645 1.00 0.00 H new ATOM 0 HA GLU A 107 3.532 8.807 -9.452 1.00 0.00 H new ATOM 0 HB2 GLU A 107 5.106 7.617 -7.473 1.00 0.00 H new ATOM 0 HB3 GLU A 107 3.741 6.522 -7.577 1.00 0.00 H new ATOM 0 HG2 GLU A 107 4.262 5.857 -9.731 1.00 0.00 H new ATOM 0 HG3 GLU A 107 4.760 7.464 -10.220 1.00 0.00 H new ATOM 384 N LYS A 108 1.309 7.531 -9.303 1.00 0.00 N ATOM 385 CA LYS A 108 -0.110 7.086 -9.205 1.00 0.00 C ATOM 386 C LYS A 108 -0.191 5.583 -9.478 1.00 0.00 C ATOM 387 O LYS A 108 0.619 5.028 -10.194 1.00 0.00 O ATOM 388 CB LYS A 108 -0.960 7.841 -10.234 1.00 0.00 C ATOM 389 CG LYS A 108 -0.099 8.221 -11.440 1.00 0.00 C ATOM 390 CD LYS A 108 0.759 9.439 -11.092 1.00 0.00 C ATOM 391 CE LYS A 108 0.591 10.510 -12.171 1.00 0.00 C ATOM 392 NZ LYS A 108 -0.548 11.402 -11.814 1.00 0.00 N ATOM 0 H LYS A 108 1.741 7.405 -10.219 1.00 0.00 H new ATOM 0 HA LYS A 108 -0.487 7.296 -8.204 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -1.796 7.220 -10.554 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -1.384 8.737 -9.781 1.00 0.00 H new ATOM 0 HG2 LYS A 108 0.538 7.383 -11.724 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -0.734 8.443 -12.298 1.00 0.00 H new ATOM 0 HD2 LYS A 108 0.466 9.838 -10.121 1.00 0.00 H new ATOM 0 HD3 LYS A 108 1.807 9.148 -11.014 1.00 0.00 H new ATOM 0 HE2 LYS A 108 1.507 11.093 -12.265 1.00 0.00 H new ATOM 0 HE3 LYS A 108 0.410 10.041 -13.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -0.662 12.130 -12.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -1.421 10.840 -11.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -0.358 11.859 -10.899 1.00 0.00 H new ATOM 406 N PHE A 109 -1.163 4.918 -8.914 1.00 0.00 N ATOM 407 CA PHE A 109 -1.293 3.450 -9.143 1.00 0.00 C ATOM 408 C PHE A 109 -2.756 3.103 -9.422 1.00 0.00 C ATOM 409 O PHE A 109 -3.624 3.954 -9.393 1.00 0.00 O ATOM 410 CB PHE A 109 -0.828 2.693 -7.897 1.00 0.00 C ATOM 411 CG PHE A 109 0.609 3.039 -7.593 1.00 0.00 C ATOM 412 CD1 PHE A 109 0.912 4.198 -6.870 1.00 0.00 C ATOM 413 CD2 PHE A 109 1.638 2.198 -8.032 1.00 0.00 C ATOM 414 CE1 PHE A 109 2.246 4.515 -6.583 1.00 0.00 C ATOM 415 CE2 PHE A 109 2.971 2.515 -7.747 1.00 0.00 C ATOM 416 CZ PHE A 109 3.275 3.674 -7.022 1.00 0.00 C ATOM 0 H PHE A 109 -1.872 5.327 -8.305 1.00 0.00 H new ATOM 0 HA PHE A 109 -0.678 3.164 -9.997 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -1.461 2.950 -7.047 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -0.927 1.619 -8.055 1.00 0.00 H new ATOM 0 HD1 PHE A 109 0.118 4.848 -6.533 1.00 0.00 H new ATOM 0 HD2 PHE A 109 1.403 1.304 -8.591 1.00 0.00 H new ATOM 0 HE1 PHE A 109 2.480 5.408 -6.023 1.00 0.00 H new ATOM 0 HE2 PHE A 109 3.765 1.866 -8.086 1.00 0.00 H new ATOM 0 HZ PHE A 109 4.304 3.919 -6.802 1.00 0.00 H new ATOM 426 N GLN A 110 -3.038 1.857 -9.689 1.00 0.00 N ATOM 427 CA GLN A 110 -4.444 1.452 -9.968 1.00 0.00 C ATOM 428 C GLN A 110 -4.905 0.448 -8.909 1.00 0.00 C ATOM 429 O GLN A 110 -4.597 -0.725 -8.977 1.00 0.00 O ATOM 430 CB GLN A 110 -4.523 0.805 -11.352 1.00 0.00 C ATOM 431 CG GLN A 110 -3.838 1.707 -12.379 1.00 0.00 C ATOM 432 CD GLN A 110 -4.546 1.573 -13.729 1.00 0.00 C ATOM 433 OE1 GLN A 110 -5.692 1.952 -13.868 1.00 0.00 O ATOM 434 NE2 GLN A 110 -3.908 1.044 -14.736 1.00 0.00 N ATOM 0 H GLN A 110 -2.354 1.101 -9.726 1.00 0.00 H new ATOM 0 HA GLN A 110 -5.088 2.331 -9.940 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -4.043 -0.174 -11.335 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -5.564 0.645 -11.631 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -3.865 2.744 -12.044 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -2.788 1.431 -12.478 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -2.946 0.726 -14.620 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -4.371 0.949 -15.640 1.00 0.00 H new ATOM 443 N ILE A 111 -5.643 0.897 -7.929 1.00 0.00 N ATOM 444 CA ILE A 111 -6.123 -0.037 -6.872 1.00 0.00 C ATOM 445 C ILE A 111 -7.187 -0.966 -7.457 1.00 0.00 C ATOM 446 O ILE A 111 -8.305 -0.563 -7.713 1.00 0.00 O ATOM 447 CB ILE A 111 -6.724 0.760 -5.711 1.00 0.00 C ATOM 448 CG1 ILE A 111 -5.714 1.800 -5.216 1.00 0.00 C ATOM 449 CG2 ILE A 111 -7.073 -0.191 -4.566 1.00 0.00 C ATOM 450 CD1 ILE A 111 -4.329 1.160 -5.097 1.00 0.00 C ATOM 0 H ILE A 111 -5.933 1.868 -7.816 1.00 0.00 H new ATOM 0 HA ILE A 111 -5.283 -0.628 -6.506 1.00 0.00 H new ATOM 0 HB ILE A 111 -7.625 1.268 -6.054 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -5.677 2.643 -5.906 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -6.027 2.194 -4.249 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -7.501 0.376 -3.739 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -7.797 -0.928 -4.913 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -6.170 -0.700 -4.228 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -3.614 1.903 -4.745 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -4.370 0.332 -4.389 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -4.015 0.788 -6.072 1.00 0.00 H new ATOM 462 N LEU A 112 -6.848 -2.206 -7.677 1.00 0.00 N ATOM 463 CA LEU A 112 -7.839 -3.162 -8.249 1.00 0.00 C ATOM 464 C LEU A 112 -8.412 -4.035 -7.131 1.00 0.00 C ATOM 465 O LEU A 112 -9.477 -4.606 -7.262 1.00 0.00 O ATOM 466 CB LEU A 112 -7.147 -4.049 -9.286 1.00 0.00 C ATOM 467 CG LEU A 112 -5.941 -4.734 -8.643 1.00 0.00 C ATOM 468 CD1 LEU A 112 -5.943 -6.221 -9.004 1.00 0.00 C ATOM 469 CD2 LEU A 112 -4.653 -4.087 -9.161 1.00 0.00 C ATOM 0 H LEU A 112 -5.927 -2.600 -7.485 1.00 0.00 H new ATOM 0 HA LEU A 112 -8.648 -2.607 -8.725 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.844 -4.796 -9.665 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.827 -3.450 -10.138 1.00 0.00 H new ATOM 0 HG LEU A 112 -5.996 -4.624 -7.560 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -5.083 -6.708 -8.545 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -6.860 -6.683 -8.638 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -5.888 -6.333 -10.087 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -3.792 -4.574 -8.704 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -4.600 -4.198 -10.244 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -4.649 -3.028 -8.904 1.00 0.00 H new ATOM 481 N ASN A 113 -7.715 -4.145 -6.033 1.00 0.00 N ATOM 482 CA ASN A 113 -8.222 -4.983 -4.910 1.00 0.00 C ATOM 483 C ASN A 113 -7.738 -4.402 -3.581 1.00 0.00 C ATOM 484 O ASN A 113 -6.660 -4.709 -3.114 1.00 0.00 O ATOM 485 CB ASN A 113 -7.697 -6.412 -5.062 1.00 0.00 C ATOM 486 CG ASN A 113 -8.815 -7.318 -5.582 1.00 0.00 C ATOM 487 OD1 ASN A 113 -9.968 -6.932 -5.595 1.00 0.00 O ATOM 488 ND2 ASN A 113 -8.523 -8.514 -6.012 1.00 0.00 N ATOM 0 H ASN A 113 -6.817 -3.691 -5.865 1.00 0.00 H new ATOM 0 HA ASN A 113 -9.312 -4.992 -4.928 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -6.852 -6.428 -5.751 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -7.333 -6.780 -4.103 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -9.262 -9.126 -6.359 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -7.556 -8.838 -6.001 1.00 0.00 H new ATOM 495 N SER A 114 -8.527 -3.563 -2.968 1.00 0.00 N ATOM 496 CA SER A 114 -8.111 -2.965 -1.669 1.00 0.00 C ATOM 497 C SER A 114 -8.920 -3.596 -0.534 1.00 0.00 C ATOM 498 O SER A 114 -9.227 -2.959 0.452 1.00 0.00 O ATOM 499 CB SER A 114 -8.366 -1.457 -1.698 1.00 0.00 C ATOM 500 OG SER A 114 -9.515 -1.191 -2.492 1.00 0.00 O ATOM 0 H SER A 114 -9.441 -3.266 -3.310 1.00 0.00 H new ATOM 0 HA SER A 114 -7.050 -3.152 -1.506 1.00 0.00 H new ATOM 0 HB2 SER A 114 -8.515 -1.082 -0.685 1.00 0.00 H new ATOM 0 HB3 SER A 114 -7.499 -0.938 -2.106 1.00 0.00 H new ATOM 0 HG SER A 114 -9.683 -0.226 -2.512 1.00 0.00 H new ATOM 539 N ASP A 118 -4.063 -4.004 5.096 1.00 0.00 N ATOM 540 CA ASP A 118 -3.410 -2.688 4.852 1.00 0.00 C ATOM 541 C ASP A 118 -2.525 -2.791 3.608 1.00 0.00 C ATOM 542 O ASP A 118 -1.674 -1.959 3.367 1.00 0.00 O ATOM 543 CB ASP A 118 -2.551 -2.310 6.062 1.00 0.00 C ATOM 544 CG ASP A 118 -3.194 -1.132 6.795 1.00 0.00 C ATOM 545 OD1 ASP A 118 -4.345 -0.843 6.516 1.00 0.00 O ATOM 546 OD2 ASP A 118 -2.524 -0.538 7.623 1.00 0.00 O ATOM 0 HA ASP A 118 -4.171 -1.923 4.699 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -2.456 -3.162 6.735 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -1.544 -2.045 5.738 1.00 0.00 H new ATOM 551 N TRP A 119 -2.722 -3.811 2.818 1.00 0.00 N ATOM 552 CA TRP A 119 -1.896 -3.975 1.590 1.00 0.00 C ATOM 553 C TRP A 119 -2.814 -4.097 0.371 1.00 0.00 C ATOM 554 O TRP A 119 -3.400 -5.132 0.126 1.00 0.00 O ATOM 555 CB TRP A 119 -1.045 -5.240 1.715 1.00 0.00 C ATOM 556 CG TRP A 119 -0.060 -5.071 2.829 1.00 0.00 C ATOM 557 CD1 TRP A 119 -0.168 -5.635 4.054 1.00 0.00 C ATOM 558 CD2 TRP A 119 1.176 -4.299 2.840 1.00 0.00 C ATOM 559 NE1 TRP A 119 0.922 -5.257 4.817 1.00 0.00 N ATOM 560 CE2 TRP A 119 1.779 -4.434 4.113 1.00 0.00 C ATOM 561 CE3 TRP A 119 1.826 -3.503 1.880 1.00 0.00 C ATOM 562 CZ2 TRP A 119 2.984 -3.801 4.423 1.00 0.00 C ATOM 563 CZ3 TRP A 119 3.039 -2.865 2.188 1.00 0.00 C ATOM 564 CH2 TRP A 119 3.616 -3.014 3.457 1.00 0.00 C ATOM 0 H TRP A 119 -3.420 -4.538 2.971 1.00 0.00 H new ATOM 0 HA TRP A 119 -1.245 -3.109 1.470 1.00 0.00 H new ATOM 0 HB2 TRP A 119 -1.683 -6.103 1.907 1.00 0.00 H new ATOM 0 HB3 TRP A 119 -0.522 -5.433 0.779 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -0.973 -6.275 4.382 1.00 0.00 H new ATOM 0 HE1 TRP A 119 1.074 -5.550 5.782 1.00 0.00 H new ATOM 0 HE3 TRP A 119 1.390 -3.381 0.900 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 3.424 -3.919 5.402 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 3.530 -2.256 1.443 1.00 0.00 H new ATOM 0 HH2 TRP A 119 4.549 -2.521 3.688 1.00 0.00 H new ATOM 575 N TRP A 120 -2.942 -3.048 -0.395 1.00 0.00 N ATOM 576 CA TRP A 120 -3.822 -3.106 -1.597 1.00 0.00 C ATOM 577 C TRP A 120 -2.985 -3.449 -2.831 1.00 0.00 C ATOM 578 O TRP A 120 -1.818 -3.120 -2.911 1.00 0.00 O ATOM 579 CB TRP A 120 -4.486 -1.746 -1.814 1.00 0.00 C ATOM 580 CG TRP A 120 -5.371 -1.420 -0.655 1.00 0.00 C ATOM 581 CD1 TRP A 120 -5.654 -2.254 0.371 1.00 0.00 C ATOM 582 CD2 TRP A 120 -6.094 -0.184 -0.390 1.00 0.00 C ATOM 583 NE1 TRP A 120 -6.504 -1.607 1.250 1.00 0.00 N ATOM 584 CE2 TRP A 120 -6.804 -0.327 0.825 1.00 0.00 C ATOM 585 CE3 TRP A 120 -6.198 1.036 -1.080 1.00 0.00 C ATOM 586 CZ2 TRP A 120 -7.592 0.705 1.336 1.00 0.00 C ATOM 587 CZ3 TRP A 120 -6.989 2.078 -0.569 1.00 0.00 C ATOM 588 CH2 TRP A 120 -7.686 1.912 0.637 1.00 0.00 C ATOM 0 H TRP A 120 -2.476 -2.154 -0.241 1.00 0.00 H new ATOM 0 HA TRP A 120 -4.584 -3.870 -1.443 1.00 0.00 H new ATOM 0 HB2 TRP A 120 -3.725 -0.974 -1.929 1.00 0.00 H new ATOM 0 HB3 TRP A 120 -5.069 -1.759 -2.735 1.00 0.00 H new ATOM 0 HD1 TRP A 120 -5.278 -3.260 0.485 1.00 0.00 H new ATOM 0 HE1 TRP A 120 -6.865 -2.024 2.108 1.00 0.00 H new ATOM 0 HE3 TRP A 120 -5.666 1.173 -2.010 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 -8.126 0.572 2.265 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 -7.061 3.012 -1.107 1.00 0.00 H new ATOM 0 HH2 TRP A 120 -8.294 2.716 1.025 1.00 0.00 H new ATOM 599 N GLU A 121 -3.576 -4.092 -3.800 1.00 0.00 N ATOM 600 CA GLU A 121 -2.817 -4.438 -5.035 1.00 0.00 C ATOM 601 C GLU A 121 -2.965 -3.291 -6.037 1.00 0.00 C ATOM 602 O GLU A 121 -3.982 -3.152 -6.687 1.00 0.00 O ATOM 603 CB GLU A 121 -3.378 -5.726 -5.651 1.00 0.00 C ATOM 604 CG GLU A 121 -4.018 -6.590 -4.559 1.00 0.00 C ATOM 605 CD GLU A 121 -4.260 -8.000 -5.101 1.00 0.00 C ATOM 606 OE1 GLU A 121 -3.370 -8.824 -4.969 1.00 0.00 O ATOM 607 OE2 GLU A 121 -5.331 -8.232 -5.637 1.00 0.00 O ATOM 0 H GLU A 121 -4.551 -4.393 -3.790 1.00 0.00 H new ATOM 0 HA GLU A 121 -1.766 -4.592 -4.789 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -4.117 -5.483 -6.414 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -2.580 -6.281 -6.145 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -3.368 -6.631 -3.685 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -4.960 -6.147 -4.235 1.00 0.00 H new ATOM 614 N ALA A 122 -1.967 -2.460 -6.156 1.00 0.00 N ATOM 615 CA ALA A 122 -2.067 -1.317 -7.105 1.00 0.00 C ATOM 616 C ALA A 122 -1.110 -1.523 -8.279 1.00 0.00 C ATOM 617 O ALA A 122 -0.005 -2.002 -8.117 1.00 0.00 O ATOM 618 CB ALA A 122 -1.702 -0.022 -6.378 1.00 0.00 C ATOM 0 H ALA A 122 -1.090 -2.523 -5.639 1.00 0.00 H new ATOM 0 HA ALA A 122 -3.088 -1.256 -7.483 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -1.774 0.817 -7.070 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -2.389 0.134 -5.546 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -0.683 -0.093 -5.999 1.00 0.00 H new ATOM 624 N ARG A 123 -1.526 -1.156 -9.460 1.00 0.00 N ATOM 625 CA ARG A 123 -0.642 -1.321 -10.647 1.00 0.00 C ATOM 626 C ARG A 123 -0.053 0.041 -11.023 1.00 0.00 C ATOM 627 O ARG A 123 -0.763 0.954 -11.395 1.00 0.00 O ATOM 628 CB ARG A 123 -1.460 -1.866 -11.819 1.00 0.00 C ATOM 629 CG ARG A 123 -0.774 -3.111 -12.385 1.00 0.00 C ATOM 630 CD ARG A 123 -0.180 -2.788 -13.756 1.00 0.00 C ATOM 631 NE ARG A 123 -0.242 -4.000 -14.622 1.00 0.00 N ATOM 632 CZ ARG A 123 -1.337 -4.280 -15.274 1.00 0.00 C ATOM 633 NH1 ARG A 123 -1.600 -3.673 -16.399 1.00 0.00 N ATOM 634 NH2 ARG A 123 -2.169 -5.167 -14.801 1.00 0.00 N ATOM 0 H ARG A 123 -2.441 -0.749 -9.654 1.00 0.00 H new ATOM 0 HA ARG A 123 0.163 -2.018 -10.415 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -2.469 -2.112 -11.489 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -1.555 -1.106 -12.594 1.00 0.00 H new ATOM 0 HG2 ARG A 123 0.011 -3.447 -11.707 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -1.492 -3.927 -12.471 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -0.730 -1.969 -14.219 1.00 0.00 H new ATOM 0 HD3 ARG A 123 0.853 -2.457 -13.648 1.00 0.00 H new ATOM 0 HE ARG A 123 0.571 -4.610 -14.705 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -0.950 -2.980 -16.769 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -2.456 -3.892 -16.909 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -1.963 -5.641 -13.922 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -3.025 -5.386 -15.311 1.00 0.00 H new ATOM 648 N SER A 124 1.240 0.188 -10.920 1.00 0.00 N ATOM 649 CA SER A 124 1.871 1.493 -11.265 1.00 0.00 C ATOM 650 C SER A 124 1.641 1.801 -12.746 1.00 0.00 C ATOM 651 O SER A 124 1.850 0.967 -13.605 1.00 0.00 O ATOM 652 CB SER A 124 3.374 1.420 -10.987 1.00 0.00 C ATOM 653 OG SER A 124 4.052 2.337 -11.836 1.00 0.00 O ATOM 0 H SER A 124 1.886 -0.539 -10.612 1.00 0.00 H new ATOM 0 HA SER A 124 1.425 2.282 -10.659 1.00 0.00 H new ATOM 0 HB2 SER A 124 3.575 1.657 -9.942 1.00 0.00 H new ATOM 0 HB3 SER A 124 3.739 0.408 -11.160 1.00 0.00 H new ATOM 0 HG SER A 124 4.928 1.972 -12.079 1.00 0.00 H new ATOM 659 N LEU A 125 1.217 2.997 -13.052 1.00 0.00 N ATOM 660 CA LEU A 125 0.980 3.361 -14.477 1.00 0.00 C ATOM 661 C LEU A 125 2.307 3.763 -15.123 1.00 0.00 C ATOM 662 O LEU A 125 2.467 3.705 -16.326 1.00 0.00 O ATOM 663 CB LEU A 125 0.000 4.534 -14.549 1.00 0.00 C ATOM 664 CG LEU A 125 -1.395 4.059 -14.138 1.00 0.00 C ATOM 665 CD1 LEU A 125 -2.060 5.124 -13.265 1.00 0.00 C ATOM 666 CD2 LEU A 125 -2.244 3.826 -15.389 1.00 0.00 C ATOM 0 H LEU A 125 1.025 3.737 -12.377 1.00 0.00 H new ATOM 0 HA LEU A 125 0.560 2.506 -15.007 1.00 0.00 H new ATOM 0 HB2 LEU A 125 0.330 5.338 -13.892 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -0.025 4.939 -15.561 1.00 0.00 H new ATOM 0 HG LEU A 125 -1.310 3.129 -13.577 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -3.054 4.786 -12.972 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -1.456 5.292 -12.373 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -2.144 6.054 -13.827 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -3.238 3.488 -15.096 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -2.328 4.757 -15.950 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -1.772 3.067 -16.013 1.00 0.00 H new ATOM 678 N THR A 126 3.265 4.166 -14.331 1.00 0.00 N ATOM 679 CA THR A 126 4.583 4.566 -14.897 1.00 0.00 C ATOM 680 C THR A 126 5.288 3.328 -15.452 1.00 0.00 C ATOM 681 O THR A 126 5.704 3.297 -16.593 1.00 0.00 O ATOM 682 CB THR A 126 5.443 5.193 -13.796 1.00 0.00 C ATOM 683 OG1 THR A 126 4.647 6.084 -13.026 1.00 0.00 O ATOM 684 CG2 THR A 126 6.607 5.961 -14.426 1.00 0.00 C ATOM 0 H THR A 126 3.190 4.235 -13.316 1.00 0.00 H new ATOM 0 HA THR A 126 4.434 5.292 -15.696 1.00 0.00 H new ATOM 0 HB THR A 126 5.838 4.407 -13.152 1.00 0.00 H new ATOM 0 HG1 THR A 126 5.195 6.485 -12.320 1.00 0.00 H new ATOM 0 HG21 THR A 126 7.217 6.406 -13.640 1.00 0.00 H new ATOM 0 HG22 THR A 126 7.217 5.277 -15.016 1.00 0.00 H new ATOM 0 HG23 THR A 126 6.217 6.748 -15.072 1.00 0.00 H new ATOM 692 N THR A 127 5.422 2.305 -14.654 1.00 0.00 N ATOM 693 CA THR A 127 6.095 1.066 -15.134 1.00 0.00 C ATOM 694 C THR A 127 5.070 0.167 -15.828 1.00 0.00 C ATOM 695 O THR A 127 5.164 -0.100 -17.009 1.00 0.00 O ATOM 696 CB THR A 127 6.702 0.321 -13.942 1.00 0.00 C ATOM 697 OG1 THR A 127 6.289 0.949 -12.735 1.00 0.00 O ATOM 698 CG2 THR A 127 8.226 0.353 -14.042 1.00 0.00 C ATOM 0 H THR A 127 5.094 2.274 -13.689 1.00 0.00 H new ATOM 0 HA THR A 127 6.884 1.330 -15.838 1.00 0.00 H new ATOM 0 HB THR A 127 6.363 -0.715 -13.947 1.00 0.00 H new ATOM 0 HG1 THR A 127 6.675 0.473 -11.970 1.00 0.00 H new ATOM 0 HG21 THR A 127 8.658 -0.177 -13.193 1.00 0.00 H new ATOM 0 HG22 THR A 127 8.540 -0.128 -14.968 1.00 0.00 H new ATOM 0 HG23 THR A 127 8.569 1.387 -14.036 1.00 0.00 H new ATOM 706 N GLY A 128 4.089 -0.300 -15.105 1.00 0.00 N ATOM 707 CA GLY A 128 3.058 -1.178 -15.727 1.00 0.00 C ATOM 708 C GLY A 128 2.946 -2.484 -14.937 1.00 0.00 C ATOM 709 O GLY A 128 2.168 -3.355 -15.270 1.00 0.00 O ATOM 0 H GLY A 128 3.957 -0.112 -14.111 1.00 0.00 H new ATOM 0 HA2 GLY A 128 2.095 -0.668 -15.743 1.00 0.00 H new ATOM 0 HA3 GLY A 128 3.324 -1.390 -16.763 1.00 0.00 H new ATOM 713 N GLU A 129 3.715 -2.630 -13.892 1.00 0.00 N ATOM 714 CA GLU A 129 3.645 -3.882 -13.089 1.00 0.00 C ATOM 715 C GLU A 129 2.686 -3.682 -11.913 1.00 0.00 C ATOM 716 O GLU A 129 2.294 -2.576 -11.600 1.00 0.00 O ATOM 717 CB GLU A 129 5.038 -4.229 -12.560 1.00 0.00 C ATOM 718 CG GLU A 129 5.622 -3.019 -11.830 1.00 0.00 C ATOM 719 CD GLU A 129 6.671 -3.487 -10.820 1.00 0.00 C ATOM 720 OE1 GLU A 129 6.958 -4.673 -10.802 1.00 0.00 O ATOM 721 OE2 GLU A 129 7.169 -2.653 -10.082 1.00 0.00 O ATOM 0 H GLU A 129 4.387 -1.938 -13.561 1.00 0.00 H new ATOM 0 HA GLU A 129 3.283 -4.696 -13.717 1.00 0.00 H new ATOM 0 HB2 GLU A 129 4.980 -5.082 -11.884 1.00 0.00 H new ATOM 0 HB3 GLU A 129 5.690 -4.519 -13.384 1.00 0.00 H new ATOM 0 HG2 GLU A 129 6.073 -2.332 -12.546 1.00 0.00 H new ATOM 0 HG3 GLU A 129 4.829 -2.472 -11.319 1.00 0.00 H new ATOM 728 N THR A 130 2.304 -4.746 -11.259 1.00 0.00 N ATOM 729 CA THR A 130 1.369 -4.616 -10.106 1.00 0.00 C ATOM 730 C THR A 130 2.038 -5.157 -8.841 1.00 0.00 C ATOM 731 O THR A 130 2.859 -6.050 -8.894 1.00 0.00 O ATOM 732 CB THR A 130 0.095 -5.415 -10.391 1.00 0.00 C ATOM 733 OG1 THR A 130 -0.055 -5.576 -11.795 1.00 0.00 O ATOM 734 CG2 THR A 130 -1.116 -4.669 -9.829 1.00 0.00 C ATOM 0 H THR A 130 2.599 -5.699 -11.474 1.00 0.00 H new ATOM 0 HA THR A 130 1.116 -3.566 -9.961 1.00 0.00 H new ATOM 0 HB THR A 130 0.166 -6.394 -9.917 1.00 0.00 H new ATOM 0 HG1 THR A 130 -0.869 -6.089 -11.980 1.00 0.00 H new ATOM 0 HG21 THR A 130 -2.022 -5.240 -10.033 1.00 0.00 H new ATOM 0 HG22 THR A 130 -1.000 -4.546 -8.752 1.00 0.00 H new ATOM 0 HG23 THR A 130 -1.191 -3.689 -10.300 1.00 0.00 H new ATOM 742 N GLY A 131 1.691 -4.624 -7.701 1.00 0.00 N ATOM 743 CA GLY A 131 2.308 -5.110 -6.434 1.00 0.00 C ATOM 744 C GLY A 131 1.409 -4.744 -5.251 1.00 0.00 C ATOM 745 O GLY A 131 0.249 -4.416 -5.419 1.00 0.00 O ATOM 0 H GLY A 131 1.008 -3.874 -7.592 1.00 0.00 H new ATOM 0 HA2 GLY A 131 2.448 -6.190 -6.477 1.00 0.00 H new ATOM 0 HA3 GLY A 131 3.295 -4.666 -6.305 1.00 0.00 H new ATOM 749 N TYR A 132 1.930 -4.803 -4.055 1.00 0.00 N ATOM 750 CA TYR A 132 1.096 -4.468 -2.865 1.00 0.00 C ATOM 751 C TYR A 132 1.610 -3.187 -2.202 1.00 0.00 C ATOM 752 O TYR A 132 2.569 -3.206 -1.456 1.00 0.00 O ATOM 753 CB TYR A 132 1.167 -5.615 -1.856 1.00 0.00 C ATOM 754 CG TYR A 132 0.407 -6.806 -2.388 1.00 0.00 C ATOM 755 CD1 TYR A 132 -0.974 -6.902 -2.182 1.00 0.00 C ATOM 756 CD2 TYR A 132 1.084 -7.815 -3.083 1.00 0.00 C ATOM 757 CE1 TYR A 132 -1.679 -8.008 -2.674 1.00 0.00 C ATOM 758 CE2 TYR A 132 0.380 -8.921 -3.574 1.00 0.00 C ATOM 759 CZ TYR A 132 -1.002 -9.018 -3.369 1.00 0.00 C ATOM 760 OH TYR A 132 -1.697 -10.109 -3.852 1.00 0.00 O ATOM 0 H TYR A 132 2.894 -5.068 -3.851 1.00 0.00 H new ATOM 0 HA TYR A 132 0.066 -4.317 -3.188 1.00 0.00 H new ATOM 0 HB2 TYR A 132 2.206 -5.887 -1.672 1.00 0.00 H new ATOM 0 HB3 TYR A 132 0.746 -5.299 -0.901 1.00 0.00 H new ATOM 0 HD1 TYR A 132 -1.496 -6.124 -1.644 1.00 0.00 H new ATOM 0 HD2 TYR A 132 2.150 -7.740 -3.241 1.00 0.00 H new ATOM 0 HE1 TYR A 132 -2.745 -8.082 -2.517 1.00 0.00 H new ATOM 0 HE2 TYR A 132 0.902 -9.699 -4.111 1.00 0.00 H new ATOM 0 HH TYR A 132 -2.600 -9.832 -4.114 1.00 0.00 H new ATOM 770 N ILE A 133 0.969 -2.077 -2.451 1.00 0.00 N ATOM 771 CA ILE A 133 1.411 -0.803 -1.815 1.00 0.00 C ATOM 772 C ILE A 133 0.552 -0.553 -0.571 1.00 0.00 C ATOM 773 O ILE A 133 -0.575 -1.002 -0.501 1.00 0.00 O ATOM 774 CB ILE A 133 1.235 0.358 -2.798 1.00 0.00 C ATOM 775 CG1 ILE A 133 -0.238 0.471 -3.196 1.00 0.00 C ATOM 776 CG2 ILE A 133 2.081 0.110 -4.048 1.00 0.00 C ATOM 777 CD1 ILE A 133 -0.445 1.730 -4.038 1.00 0.00 C ATOM 0 H ILE A 133 0.160 -1.997 -3.066 1.00 0.00 H new ATOM 0 HA ILE A 133 2.463 -0.875 -1.537 1.00 0.00 H new ATOM 0 HB ILE A 133 1.557 1.284 -2.322 1.00 0.00 H new ATOM 0 HG12 ILE A 133 -0.542 -0.411 -3.761 1.00 0.00 H new ATOM 0 HG13 ILE A 133 -0.864 0.510 -2.305 1.00 0.00 H new ATOM 0 HG21 ILE A 133 1.953 0.939 -4.745 1.00 0.00 H new ATOM 0 HG22 ILE A 133 3.131 0.032 -3.767 1.00 0.00 H new ATOM 0 HG23 ILE A 133 1.763 -0.817 -4.525 1.00 0.00 H new ATOM 0 HD11 ILE A 133 -1.495 1.810 -4.321 1.00 0.00 H new ATOM 0 HD12 ILE A 133 -0.158 2.607 -3.458 1.00 0.00 H new ATOM 0 HD13 ILE A 133 0.170 1.672 -4.936 1.00 0.00 H new ATOM 789 N PRO A 134 1.111 0.153 0.378 1.00 0.00 N ATOM 790 CA PRO A 134 0.405 0.466 1.632 1.00 0.00 C ATOM 791 C PRO A 134 -0.868 1.263 1.329 1.00 0.00 C ATOM 792 O PRO A 134 -0.845 2.238 0.603 1.00 0.00 O ATOM 793 CB PRO A 134 1.401 1.303 2.445 1.00 0.00 C ATOM 794 CG PRO A 134 2.695 1.448 1.599 1.00 0.00 C ATOM 795 CD PRO A 134 2.477 0.692 0.279 1.00 0.00 C ATOM 0 HA PRO A 134 0.094 -0.426 2.175 1.00 0.00 H new ATOM 0 HB2 PRO A 134 0.981 2.283 2.673 1.00 0.00 H new ATOM 0 HB3 PRO A 134 1.619 0.820 3.398 1.00 0.00 H new ATOM 0 HG2 PRO A 134 2.911 2.499 1.407 1.00 0.00 H new ATOM 0 HG3 PRO A 134 3.551 1.040 2.136 1.00 0.00 H new ATOM 0 HD2 PRO A 134 2.579 1.356 -0.579 1.00 0.00 H new ATOM 0 HD3 PRO A 134 3.209 -0.106 0.154 1.00 0.00 H new ATOM 803 N SER A 135 -1.980 0.850 1.872 1.00 0.00 N ATOM 804 CA SER A 135 -3.257 1.573 1.610 1.00 0.00 C ATOM 805 C SER A 135 -3.208 2.966 2.244 1.00 0.00 C ATOM 806 O SER A 135 -3.695 3.930 1.685 1.00 0.00 O ATOM 807 CB SER A 135 -4.419 0.782 2.212 1.00 0.00 C ATOM 808 OG SER A 135 -4.321 0.809 3.630 1.00 0.00 O ATOM 0 H SER A 135 -2.060 0.041 2.488 1.00 0.00 H new ATOM 0 HA SER A 135 -3.398 1.674 0.534 1.00 0.00 H new ATOM 0 HB2 SER A 135 -5.369 1.210 1.893 1.00 0.00 H new ATOM 0 HB3 SER A 135 -4.397 -0.247 1.854 1.00 0.00 H new ATOM 0 HG SER A 135 -5.065 0.304 4.019 1.00 0.00 H new ATOM 814 N ASN A 136 -2.632 3.079 3.410 1.00 0.00 N ATOM 815 CA ASN A 136 -2.562 4.408 4.082 1.00 0.00 C ATOM 816 C ASN A 136 -1.515 5.288 3.396 1.00 0.00 C ATOM 817 O ASN A 136 -1.289 6.415 3.789 1.00 0.00 O ATOM 818 CB ASN A 136 -2.177 4.215 5.550 1.00 0.00 C ATOM 819 CG ASN A 136 -2.605 5.441 6.357 1.00 0.00 C ATOM 820 OD1 ASN A 136 -2.873 6.486 5.798 1.00 0.00 O ATOM 821 ND2 ASN A 136 -2.681 5.358 7.657 1.00 0.00 N ATOM 0 H ASN A 136 -2.207 2.309 3.926 1.00 0.00 H new ATOM 0 HA ASN A 136 -3.536 4.893 4.016 1.00 0.00 H new ATOM 0 HB2 ASN A 136 -2.656 3.320 5.947 1.00 0.00 H new ATOM 0 HB3 ASN A 136 -1.101 4.067 5.638 1.00 0.00 H new ATOM 0 HD21 ASN A 136 -2.965 6.170 8.204 1.00 0.00 H new ATOM 0 HD22 ASN A 136 -2.456 4.481 8.126 1.00 0.00 H new ATOM 828 N TYR A 137 -0.873 4.791 2.375 1.00 0.00 N ATOM 829 CA TYR A 137 0.157 5.612 1.677 1.00 0.00 C ATOM 830 C TYR A 137 -0.386 6.080 0.327 1.00 0.00 C ATOM 831 O TYR A 137 0.333 6.627 -0.482 1.00 0.00 O ATOM 832 CB TYR A 137 1.416 4.775 1.451 1.00 0.00 C ATOM 833 CG TYR A 137 2.444 5.120 2.502 1.00 0.00 C ATOM 834 CD1 TYR A 137 2.036 5.442 3.802 1.00 0.00 C ATOM 835 CD2 TYR A 137 3.806 5.119 2.176 1.00 0.00 C ATOM 836 CE1 TYR A 137 2.989 5.763 4.776 1.00 0.00 C ATOM 837 CE2 TYR A 137 4.759 5.440 3.150 1.00 0.00 C ATOM 838 CZ TYR A 137 4.351 5.763 4.451 1.00 0.00 C ATOM 839 OH TYR A 137 5.289 6.080 5.411 1.00 0.00 O ATOM 0 H TYR A 137 -1.016 3.855 1.995 1.00 0.00 H new ATOM 0 HA TYR A 137 0.400 6.478 2.292 1.00 0.00 H new ATOM 0 HB2 TYR A 137 1.173 3.713 1.499 1.00 0.00 H new ATOM 0 HB3 TYR A 137 1.819 4.966 0.456 1.00 0.00 H new ATOM 0 HD1 TYR A 137 0.986 5.443 4.054 1.00 0.00 H new ATOM 0 HD2 TYR A 137 4.121 4.871 1.173 1.00 0.00 H new ATOM 0 HE1 TYR A 137 2.673 6.011 5.779 1.00 0.00 H new ATOM 0 HE2 TYR A 137 5.809 5.439 2.898 1.00 0.00 H new ATOM 0 HH TYR A 137 6.186 6.031 5.020 1.00 0.00 H new ATOM 849 N VAL A 138 -1.648 5.870 0.075 1.00 0.00 N ATOM 850 CA VAL A 138 -2.224 6.305 -1.228 1.00 0.00 C ATOM 851 C VAL A 138 -3.568 6.996 -0.993 1.00 0.00 C ATOM 852 O VAL A 138 -4.261 6.719 -0.033 1.00 0.00 O ATOM 853 CB VAL A 138 -2.430 5.085 -2.126 1.00 0.00 C ATOM 854 CG1 VAL A 138 -1.080 4.623 -2.676 1.00 0.00 C ATOM 855 CG2 VAL A 138 -3.063 3.955 -1.312 1.00 0.00 C ATOM 0 H VAL A 138 -2.303 5.418 0.712 1.00 0.00 H new ATOM 0 HA VAL A 138 -1.539 7.002 -1.710 1.00 0.00 H new ATOM 0 HB VAL A 138 -3.088 5.350 -2.954 1.00 0.00 H new ATOM 0 HG11 VAL A 138 -1.226 3.753 -3.316 1.00 0.00 H new ATOM 0 HG12 VAL A 138 -0.628 5.428 -3.255 1.00 0.00 H new ATOM 0 HG13 VAL A 138 -0.422 4.358 -1.849 1.00 0.00 H new ATOM 0 HG21 VAL A 138 -3.210 3.085 -1.951 1.00 0.00 H new ATOM 0 HG22 VAL A 138 -2.405 3.690 -0.484 1.00 0.00 H new ATOM 0 HG23 VAL A 138 -4.025 4.284 -0.920 1.00 0.00 H new ATOM 865 N ALA A 139 -3.942 7.893 -1.863 1.00 0.00 N ATOM 866 CA ALA A 139 -5.240 8.602 -1.695 1.00 0.00 C ATOM 867 C ALA A 139 -5.892 8.795 -3.067 1.00 0.00 C ATOM 868 O ALA A 139 -5.208 8.968 -4.056 1.00 0.00 O ATOM 869 CB ALA A 139 -4.998 9.967 -1.050 1.00 0.00 C ATOM 0 H ALA A 139 -3.403 8.166 -2.685 1.00 0.00 H new ATOM 0 HA ALA A 139 -5.897 8.012 -1.057 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -5.949 10.485 -0.927 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -4.531 9.831 -0.075 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -4.342 10.559 -1.687 1.00 0.00 H new ATOM 875 N PRO A 140 -7.200 8.760 -3.087 1.00 0.00 N ATOM 876 CA PRO A 140 -7.969 8.931 -4.331 1.00 0.00 C ATOM 877 C PRO A 140 -7.692 10.312 -4.933 1.00 0.00 C ATOM 878 O PRO A 140 -7.696 11.312 -4.243 1.00 0.00 O ATOM 879 CB PRO A 140 -9.439 8.812 -3.904 1.00 0.00 C ATOM 880 CG PRO A 140 -9.468 8.570 -2.373 1.00 0.00 C ATOM 881 CD PRO A 140 -8.014 8.547 -1.876 1.00 0.00 C ATOM 0 HA PRO A 140 -7.705 8.195 -5.090 1.00 0.00 H new ATOM 0 HB2 PRO A 140 -9.986 9.720 -4.158 1.00 0.00 H new ATOM 0 HB3 PRO A 140 -9.925 7.990 -4.430 1.00 0.00 H new ATOM 0 HG2 PRO A 140 -10.031 9.357 -1.872 1.00 0.00 H new ATOM 0 HG3 PRO A 140 -9.965 7.627 -2.144 1.00 0.00 H new ATOM 0 HD2 PRO A 140 -7.836 9.328 -1.137 1.00 0.00 H new ATOM 0 HD3 PRO A 140 -7.774 7.597 -1.400 1.00 0.00 H new ATOM 889 N VAL A 141 -7.453 10.376 -6.214 1.00 0.00 N ATOM 890 CA VAL A 141 -7.176 11.693 -6.856 1.00 0.00 C ATOM 891 C VAL A 141 -8.426 12.572 -6.778 1.00 0.00 C ATOM 892 O VAL A 141 -9.514 12.034 -6.901 1.00 0.00 O ATOM 893 CB VAL A 141 -6.799 11.475 -8.321 1.00 0.00 C ATOM 894 CG1 VAL A 141 -6.466 12.818 -8.972 1.00 0.00 C ATOM 895 CG2 VAL A 141 -5.579 10.556 -8.399 1.00 0.00 C ATOM 896 OXT VAL A 141 -8.275 13.769 -6.595 1.00 0.00 O ATOM 0 H VAL A 141 -7.437 9.574 -6.844 1.00 0.00 H new ATOM 0 HA VAL A 141 -6.353 12.184 -6.337 1.00 0.00 H new ATOM 0 HB VAL A 141 -7.637 11.017 -8.846 1.00 0.00 H new ATOM 0 HG11 VAL A 141 -6.198 12.659 -10.016 1.00 0.00 H new ATOM 0 HG12 VAL A 141 -7.334 13.475 -8.916 1.00 0.00 H new ATOM 0 HG13 VAL A 141 -5.628 13.279 -8.448 1.00 0.00 H new ATOM 0 HG21 VAL A 141 -5.308 10.399 -9.443 1.00 0.00 H new ATOM 0 HG22 VAL A 141 -4.743 11.016 -7.872 1.00 0.00 H new ATOM 0 HG23 VAL A 141 -5.816 9.597 -7.937 1.00 0.00 H new