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 -143:sc= 0.475 USER MOD Set 1.2: A 127 THR OG1 : rot 180:sc= -1.63! USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 94:sc= 1.91 USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.77! USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 104 HIS : no HD1:sc= -0.0141 X(o=-0.014,f=0) 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= -5.78! K(o=-5.8!,f=-3.5) USER MOD Single : A 113 ASN : amide:sc= -0.544 K(o=-0.54,f=-3.8!) USER MOD Single : A 114 SER OG : rot 140:sc= -1.29 USER MOD Single : A 126 THR OG1 : rot 180:sc= 0 USER MOD Single : A 130 THR OG1 : rot 180:sc= -1.81! USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 SER OG : rot 180:sc= -0.0321 USER MOD Single : A 136 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 33 N LEU A 86 -8.554 6.102 -9.274 1.00 0.00 N ATOM 34 CA LEU A 86 -7.074 6.276 -9.329 1.00 0.00 C ATOM 35 C LEU A 86 -6.563 6.768 -7.973 1.00 0.00 C ATOM 36 O LEU A 86 -7.265 7.437 -7.239 1.00 0.00 O ATOM 37 CB LEU A 86 -6.721 7.300 -10.410 1.00 0.00 C ATOM 38 CG LEU A 86 -5.940 6.611 -11.530 1.00 0.00 C ATOM 39 CD1 LEU A 86 -4.738 5.876 -10.937 1.00 0.00 C ATOM 40 CD2 LEU A 86 -6.852 5.608 -12.242 1.00 0.00 C ATOM 0 HA LEU A 86 -6.606 5.320 -9.566 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.630 7.750 -10.810 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.127 8.107 -9.981 1.00 0.00 H new ATOM 0 HG LEU A 86 -5.592 7.358 -12.244 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -4.182 5.385 -11.735 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.090 6.590 -10.429 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -5.084 5.128 -10.223 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -6.298 5.116 -13.041 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -7.199 4.861 -11.528 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -7.709 6.132 -12.665 1.00 0.00 H new ATOM 52 N PHE A 87 -5.345 6.442 -7.633 1.00 0.00 N ATOM 53 CA PHE A 87 -4.789 6.889 -6.325 1.00 0.00 C ATOM 54 C PHE A 87 -3.414 7.526 -6.539 1.00 0.00 C ATOM 55 O PHE A 87 -2.816 7.398 -7.589 1.00 0.00 O ATOM 56 CB PHE A 87 -4.640 5.684 -5.392 1.00 0.00 C ATOM 57 CG PHE A 87 -5.987 5.309 -4.825 1.00 0.00 C ATOM 58 CD1 PHE A 87 -6.877 4.538 -5.584 1.00 0.00 C ATOM 59 CD2 PHE A 87 -6.346 5.726 -3.538 1.00 0.00 C ATOM 60 CE1 PHE A 87 -8.125 4.186 -5.056 1.00 0.00 C ATOM 61 CE2 PHE A 87 -7.594 5.376 -3.010 1.00 0.00 C ATOM 62 CZ PHE A 87 -8.483 4.605 -3.769 1.00 0.00 C ATOM 0 H PHE A 87 -4.711 5.885 -8.206 1.00 0.00 H new ATOM 0 HA PHE A 87 -5.466 7.619 -5.881 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -4.217 4.840 -5.937 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -3.948 5.921 -4.584 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -6.600 4.215 -6.577 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -5.659 6.318 -2.952 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -8.811 3.592 -5.641 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -7.871 5.700 -2.018 1.00 0.00 H new ATOM 0 HZ PHE A 87 -9.445 4.333 -3.361 1.00 0.00 H new ATOM 72 N VAL A 88 -2.908 8.203 -5.545 1.00 0.00 N ATOM 73 CA VAL A 88 -1.567 8.841 -5.679 1.00 0.00 C ATOM 74 C VAL A 88 -0.758 8.568 -4.410 1.00 0.00 C ATOM 75 O VAL A 88 -1.306 8.405 -3.339 1.00 0.00 O ATOM 76 CB VAL A 88 -1.725 10.351 -5.862 1.00 0.00 C ATOM 77 CG1 VAL A 88 -0.511 10.905 -6.609 1.00 0.00 C ATOM 78 CG2 VAL A 88 -2.993 10.641 -6.668 1.00 0.00 C ATOM 0 H VAL A 88 -3.366 8.342 -4.644 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.053 8.428 -6.547 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.800 10.827 -4.884 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.624 11.981 -6.739 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.393 10.702 -6.035 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.436 10.427 -7.586 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.104 11.718 -6.797 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.920 10.164 -7.645 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.860 10.248 -6.136 1.00 0.00 H new ATOM 88 N ALA A 89 0.540 8.516 -4.518 1.00 0.00 N ATOM 89 CA ALA A 89 1.376 8.252 -3.311 1.00 0.00 C ATOM 90 C ALA A 89 1.567 9.553 -2.531 1.00 0.00 C ATOM 91 O ALA A 89 2.235 10.464 -2.978 1.00 0.00 O ATOM 92 CB ALA A 89 2.737 7.704 -3.739 1.00 0.00 C ATOM 0 H ALA A 89 1.058 8.644 -5.387 1.00 0.00 H new ATOM 0 HA ALA A 89 0.878 7.519 -2.677 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.346 7.512 -2.856 1.00 0.00 H new ATOM 0 HB2 ALA A 89 2.598 6.775 -4.293 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.239 8.433 -4.374 1.00 0.00 H new ATOM 98 N LEU A 90 0.984 9.647 -1.368 1.00 0.00 N ATOM 99 CA LEU A 90 1.126 10.891 -0.559 1.00 0.00 C ATOM 100 C LEU A 90 2.509 10.921 0.094 1.00 0.00 C ATOM 101 O LEU A 90 2.943 11.938 0.602 1.00 0.00 O ATOM 102 CB LEU A 90 0.051 10.919 0.531 1.00 0.00 C ATOM 103 CG LEU A 90 -1.284 10.449 -0.049 1.00 0.00 C ATOM 104 CD1 LEU A 90 -1.848 9.322 0.820 1.00 0.00 C ATOM 105 CD2 LEU A 90 -2.271 11.617 -0.068 1.00 0.00 C ATOM 0 H LEU A 90 0.415 8.916 -0.942 1.00 0.00 H new ATOM 0 HA LEU A 90 1.010 11.759 -1.208 1.00 0.00 H new ATOM 0 HB2 LEU A 90 0.344 10.276 1.361 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -0.050 11.928 0.930 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.131 10.085 -1.065 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.799 8.986 0.408 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -1.145 8.489 0.837 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -2.001 9.687 1.835 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.223 11.283 -0.481 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -2.424 11.980 0.948 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -1.871 12.422 -0.684 1.00 0.00 H new ATOM 117 N TYR A 91 3.207 9.818 0.089 1.00 0.00 N ATOM 118 CA TYR A 91 4.558 9.793 0.715 1.00 0.00 C ATOM 119 C TYR A 91 5.458 8.817 -0.044 1.00 0.00 C ATOM 120 O TYR A 91 4.992 7.906 -0.700 1.00 0.00 O ATOM 121 CB TYR A 91 4.434 9.346 2.173 1.00 0.00 C ATOM 122 CG TYR A 91 3.341 10.138 2.847 1.00 0.00 C ATOM 123 CD1 TYR A 91 3.523 11.501 3.106 1.00 0.00 C ATOM 124 CD2 TYR A 91 2.144 9.511 3.212 1.00 0.00 C ATOM 125 CE1 TYR A 91 2.508 12.238 3.729 1.00 0.00 C ATOM 126 CE2 TYR A 91 1.130 10.246 3.835 1.00 0.00 C ATOM 127 CZ TYR A 91 1.311 11.609 4.094 1.00 0.00 C ATOM 128 OH TYR A 91 0.311 12.334 4.708 1.00 0.00 O ATOM 0 H TYR A 91 2.900 8.936 -0.321 1.00 0.00 H new ATOM 0 HA TYR A 91 4.995 10.791 0.675 1.00 0.00 H new ATOM 0 HB2 TYR A 91 4.209 8.281 2.221 1.00 0.00 H new ATOM 0 HB3 TYR A 91 5.380 9.495 2.693 1.00 0.00 H new ATOM 0 HD1 TYR A 91 4.447 11.985 2.825 1.00 0.00 H new ATOM 0 HD2 TYR A 91 2.003 8.459 3.012 1.00 0.00 H new ATOM 0 HE1 TYR A 91 2.648 13.290 3.928 1.00 0.00 H new ATOM 0 HE2 TYR A 91 0.207 9.761 4.116 1.00 0.00 H new ATOM 0 HH TYR A 91 -0.452 11.747 4.893 1.00 0.00 H new ATOM 138 N ASP A 92 6.747 9.000 0.042 1.00 0.00 N ATOM 139 CA ASP A 92 7.681 8.086 -0.671 1.00 0.00 C ATOM 140 C ASP A 92 7.668 6.715 0.005 1.00 0.00 C ATOM 141 O ASP A 92 7.749 6.608 1.213 1.00 0.00 O ATOM 142 CB ASP A 92 9.095 8.667 -0.618 1.00 0.00 C ATOM 143 CG ASP A 92 10.098 7.611 -1.083 1.00 0.00 C ATOM 144 OD1 ASP A 92 9.666 6.613 -1.634 1.00 0.00 O ATOM 145 OD2 ASP A 92 11.284 7.817 -0.879 1.00 0.00 O ATOM 0 H ASP A 92 7.194 9.745 0.577 1.00 0.00 H new ATOM 0 HA ASP A 92 7.368 7.981 -1.710 1.00 0.00 H new ATOM 0 HB2 ASP A 92 9.161 9.551 -1.253 1.00 0.00 H new ATOM 0 HB3 ASP A 92 9.331 8.986 0.397 1.00 0.00 H new ATOM 150 N TYR A 93 7.571 5.665 -0.762 1.00 0.00 N ATOM 151 CA TYR A 93 7.557 4.303 -0.158 1.00 0.00 C ATOM 152 C TYR A 93 8.727 3.490 -0.715 1.00 0.00 C ATOM 153 O TYR A 93 8.974 3.476 -1.904 1.00 0.00 O ATOM 154 CB TYR A 93 6.240 3.605 -0.500 1.00 0.00 C ATOM 155 CG TYR A 93 6.277 2.186 0.015 1.00 0.00 C ATOM 156 CD1 TYR A 93 6.360 1.943 1.391 1.00 0.00 C ATOM 157 CD2 TYR A 93 6.229 1.113 -0.884 1.00 0.00 C ATOM 158 CE1 TYR A 93 6.396 0.628 1.870 1.00 0.00 C ATOM 159 CE2 TYR A 93 6.264 -0.202 -0.405 1.00 0.00 C ATOM 160 CZ TYR A 93 6.348 -0.444 0.972 1.00 0.00 C ATOM 161 OH TYR A 93 6.384 -1.741 1.444 1.00 0.00 O ATOM 0 H TYR A 93 7.501 5.691 -1.779 1.00 0.00 H new ATOM 0 HA TYR A 93 7.652 4.383 0.925 1.00 0.00 H new ATOM 0 HB2 TYR A 93 5.404 4.144 -0.055 1.00 0.00 H new ATOM 0 HB3 TYR A 93 6.083 3.608 -1.579 1.00 0.00 H new ATOM 0 HD1 TYR A 93 6.396 2.771 2.084 1.00 0.00 H new ATOM 0 HD2 TYR A 93 6.165 1.300 -1.946 1.00 0.00 H new ATOM 0 HE1 TYR A 93 6.461 0.441 2.932 1.00 0.00 H new ATOM 0 HE2 TYR A 93 6.226 -1.030 -1.097 1.00 0.00 H new ATOM 0 HH TYR A 93 5.469 -2.073 1.559 1.00 0.00 H new ATOM 171 N GLU A 94 9.447 2.810 0.132 1.00 0.00 N ATOM 172 CA GLU A 94 10.598 1.997 -0.353 1.00 0.00 C ATOM 173 C GLU A 94 10.241 0.514 -0.250 1.00 0.00 C ATOM 174 O GLU A 94 10.138 -0.035 0.829 1.00 0.00 O ATOM 175 CB GLU A 94 11.830 2.289 0.505 1.00 0.00 C ATOM 176 CG GLU A 94 12.117 3.791 0.493 1.00 0.00 C ATOM 177 CD GLU A 94 13.628 4.025 0.498 1.00 0.00 C ATOM 178 OE1 GLU A 94 14.297 3.465 -0.356 1.00 0.00 O ATOM 179 OE2 GLU A 94 14.092 4.759 1.355 1.00 0.00 O ATOM 0 H GLU A 94 9.289 2.781 1.139 1.00 0.00 H new ATOM 0 HA GLU A 94 10.816 2.251 -1.390 1.00 0.00 H new ATOM 0 HB2 GLU A 94 11.663 1.948 1.527 1.00 0.00 H new ATOM 0 HB3 GLU A 94 12.691 1.741 0.122 1.00 0.00 H new ATOM 0 HG2 GLU A 94 11.671 4.250 -0.389 1.00 0.00 H new ATOM 0 HG3 GLU A 94 11.663 4.265 1.363 1.00 0.00 H new ATOM 186 N ALA A 95 10.045 -0.136 -1.363 1.00 0.00 N ATOM 187 CA ALA A 95 9.686 -1.581 -1.327 1.00 0.00 C ATOM 188 C ALA A 95 10.563 -2.303 -0.304 1.00 0.00 C ATOM 189 O ALA A 95 11.759 -2.432 -0.475 1.00 0.00 O ATOM 190 CB ALA A 95 9.902 -2.196 -2.710 1.00 0.00 C ATOM 0 H ALA A 95 10.118 0.271 -2.296 1.00 0.00 H new ATOM 0 HA ALA A 95 8.639 -1.686 -1.043 1.00 0.00 H new ATOM 0 HB1 ALA A 95 9.639 -3.253 -2.683 1.00 0.00 H new ATOM 0 HB2 ALA A 95 9.273 -1.684 -3.438 1.00 0.00 H new ATOM 0 HB3 ALA A 95 10.948 -2.089 -2.996 1.00 0.00 H new ATOM 196 N ARG A 96 9.975 -2.781 0.758 1.00 0.00 N ATOM 197 CA ARG A 96 10.769 -3.501 1.791 1.00 0.00 C ATOM 198 C ARG A 96 10.997 -4.943 1.335 1.00 0.00 C ATOM 199 O ARG A 96 11.848 -5.641 1.846 1.00 0.00 O ATOM 200 CB ARG A 96 10.000 -3.498 3.114 1.00 0.00 C ATOM 201 CG ARG A 96 10.989 -3.506 4.281 1.00 0.00 C ATOM 202 CD ARG A 96 10.862 -2.200 5.066 1.00 0.00 C ATOM 203 NE ARG A 96 9.427 -1.944 5.379 1.00 0.00 N ATOM 204 CZ ARG A 96 9.104 -1.051 6.274 1.00 0.00 C ATOM 205 NH1 ARG A 96 9.656 0.131 6.244 1.00 0.00 N ATOM 206 NH2 ARG A 96 8.231 -1.341 7.199 1.00 0.00 N ATOM 0 H ARG A 96 8.977 -2.703 0.955 1.00 0.00 H new ATOM 0 HA ARG A 96 11.730 -3.006 1.929 1.00 0.00 H new ATOM 0 HB2 ARG A 96 9.360 -2.618 3.172 1.00 0.00 H new ATOM 0 HB3 ARG A 96 9.349 -4.370 3.170 1.00 0.00 H new ATOM 0 HG2 ARG A 96 10.791 -4.356 4.934 1.00 0.00 H new ATOM 0 HG3 ARG A 96 12.007 -3.621 3.908 1.00 0.00 H new ATOM 0 HD2 ARG A 96 11.441 -2.260 5.988 1.00 0.00 H new ATOM 0 HD3 ARG A 96 11.271 -1.373 4.485 1.00 0.00 H new ATOM 0 HE ARG A 96 8.698 -2.467 4.894 1.00 0.00 H new ATOM 0 HH11 ARG A 96 10.340 0.356 5.521 1.00 0.00 H new ATOM 0 HH12 ARG A 96 9.404 0.829 6.943 1.00 0.00 H new ATOM 0 HH21 ARG A 96 7.801 -2.266 7.223 1.00 0.00 H new ATOM 0 HH22 ARG A 96 7.978 -0.643 7.899 1.00 0.00 H new ATOM 220 N THR A 97 10.237 -5.391 0.373 1.00 0.00 N ATOM 221 CA THR A 97 10.403 -6.786 -0.124 1.00 0.00 C ATOM 222 C THR A 97 9.859 -6.881 -1.551 1.00 0.00 C ATOM 223 O THR A 97 9.333 -5.927 -2.090 1.00 0.00 O ATOM 224 CB THR A 97 9.631 -7.749 0.783 1.00 0.00 C ATOM 225 OG1 THR A 97 9.214 -8.877 0.025 1.00 0.00 O ATOM 226 CG2 THR A 97 8.406 -7.041 1.364 1.00 0.00 C ATOM 0 H THR A 97 9.507 -4.850 -0.091 1.00 0.00 H new ATOM 0 HA THR A 97 11.460 -7.053 -0.116 1.00 0.00 H new ATOM 0 HB THR A 97 10.277 -8.075 1.598 1.00 0.00 H new ATOM 0 HG1 THR A 97 8.721 -9.496 0.603 1.00 0.00 H new ATOM 0 HG21 THR A 97 7.860 -7.729 2.009 1.00 0.00 H new ATOM 0 HG22 THR A 97 8.727 -6.177 1.946 1.00 0.00 H new ATOM 0 HG23 THR A 97 7.757 -6.712 0.552 1.00 0.00 H new ATOM 234 N GLU A 98 9.980 -8.024 -2.168 1.00 0.00 N ATOM 235 CA GLU A 98 9.471 -8.176 -3.559 1.00 0.00 C ATOM 236 C GLU A 98 7.943 -8.279 -3.540 1.00 0.00 C ATOM 237 O GLU A 98 7.309 -8.410 -4.568 1.00 0.00 O ATOM 238 CB GLU A 98 10.057 -9.446 -4.179 1.00 0.00 C ATOM 239 CG GLU A 98 9.572 -10.666 -3.395 1.00 0.00 C ATOM 240 CD GLU A 98 8.437 -11.350 -4.161 1.00 0.00 C ATOM 241 OE1 GLU A 98 7.918 -10.739 -5.080 1.00 0.00 O ATOM 242 OE2 GLU A 98 8.108 -12.472 -3.814 1.00 0.00 O ATOM 0 H GLU A 98 10.409 -8.859 -1.769 1.00 0.00 H new ATOM 0 HA GLU A 98 9.768 -7.309 -4.149 1.00 0.00 H new ATOM 0 HB2 GLU A 98 9.754 -9.527 -5.223 1.00 0.00 H new ATOM 0 HB3 GLU A 98 11.146 -9.401 -4.166 1.00 0.00 H new ATOM 0 HG2 GLU A 98 10.395 -11.365 -3.244 1.00 0.00 H new ATOM 0 HG3 GLU A 98 9.226 -10.362 -2.407 1.00 0.00 H new ATOM 249 N ASP A 99 7.346 -8.222 -2.381 1.00 0.00 N ATOM 250 CA ASP A 99 5.861 -8.317 -2.306 1.00 0.00 C ATOM 251 C ASP A 99 5.252 -6.916 -2.393 1.00 0.00 C ATOM 252 O ASP A 99 4.073 -6.757 -2.638 1.00 0.00 O ATOM 253 CB ASP A 99 5.454 -8.965 -0.980 1.00 0.00 C ATOM 254 CG ASP A 99 5.758 -10.462 -1.028 1.00 0.00 C ATOM 255 OD1 ASP A 99 6.885 -10.809 -1.343 1.00 0.00 O ATOM 256 OD2 ASP A 99 4.860 -11.238 -0.747 1.00 0.00 O ATOM 0 H ASP A 99 7.821 -8.114 -1.485 1.00 0.00 H new ATOM 0 HA ASP A 99 5.497 -8.924 -3.135 1.00 0.00 H new ATOM 0 HB2 ASP A 99 5.994 -8.500 -0.155 1.00 0.00 H new ATOM 0 HB3 ASP A 99 4.392 -8.805 -0.796 1.00 0.00 H new ATOM 261 N ASP A 100 6.044 -5.899 -2.188 1.00 0.00 N ATOM 262 CA ASP A 100 5.506 -4.512 -2.256 1.00 0.00 C ATOM 263 C ASP A 100 6.155 -3.765 -3.423 1.00 0.00 C ATOM 264 O ASP A 100 7.012 -4.286 -4.109 1.00 0.00 O ATOM 265 CB ASP A 100 5.816 -3.781 -0.948 1.00 0.00 C ATOM 266 CG ASP A 100 5.138 -4.505 0.216 1.00 0.00 C ATOM 267 OD1 ASP A 100 3.919 -4.561 0.222 1.00 0.00 O ATOM 268 OD2 ASP A 100 5.847 -4.991 1.082 1.00 0.00 O ATOM 0 H ASP A 100 7.039 -5.969 -1.977 1.00 0.00 H new ATOM 0 HA ASP A 100 4.427 -4.550 -2.406 1.00 0.00 H new ATOM 0 HB2 ASP A 100 6.893 -3.742 -0.788 1.00 0.00 H new ATOM 0 HB3 ASP A 100 5.465 -2.751 -1.003 1.00 0.00 H new ATOM 273 N LEU A 101 5.750 -2.545 -3.657 1.00 0.00 N ATOM 274 CA LEU A 101 6.340 -1.764 -4.780 1.00 0.00 C ATOM 275 C LEU A 101 7.104 -0.561 -4.221 1.00 0.00 C ATOM 276 O LEU A 101 7.038 -0.266 -3.045 1.00 0.00 O ATOM 277 CB LEU A 101 5.220 -1.277 -5.700 1.00 0.00 C ATOM 278 CG LEU A 101 4.401 -2.478 -6.175 1.00 0.00 C ATOM 279 CD1 LEU A 101 2.910 -2.196 -5.973 1.00 0.00 C ATOM 280 CD2 LEU A 101 4.677 -2.729 -7.658 1.00 0.00 C ATOM 0 H LEU A 101 5.035 -2.056 -3.118 1.00 0.00 H new ATOM 0 HA LEU A 101 7.026 -2.396 -5.344 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.580 -0.571 -5.171 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.640 -0.747 -6.555 1.00 0.00 H new ATOM 0 HG LEU A 101 4.683 -3.359 -5.598 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.328 -3.053 -6.312 1.00 0.00 H new ATOM 0 HD12 LEU A 101 2.713 -2.019 -4.916 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.625 -1.314 -6.547 1.00 0.00 H new ATOM 0 HD21 LEU A 101 4.093 -3.585 -7.997 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.397 -1.847 -8.235 1.00 0.00 H new ATOM 0 HD23 LEU A 101 5.738 -2.934 -7.801 1.00 0.00 H new ATOM 292 N SER A 102 7.830 0.134 -5.054 1.00 0.00 N ATOM 293 CA SER A 102 8.596 1.315 -4.565 1.00 0.00 C ATOM 294 C SER A 102 8.287 2.529 -5.444 1.00 0.00 C ATOM 295 O SER A 102 8.045 2.405 -6.628 1.00 0.00 O ATOM 296 CB SER A 102 10.094 1.010 -4.627 1.00 0.00 C ATOM 297 OG SER A 102 10.558 1.206 -5.956 1.00 0.00 O ATOM 0 H SER A 102 7.926 -0.065 -6.050 1.00 0.00 H new ATOM 0 HA SER A 102 8.309 1.532 -3.536 1.00 0.00 H new ATOM 0 HB2 SER A 102 10.638 1.659 -3.940 1.00 0.00 H new ATOM 0 HB3 SER A 102 10.281 -0.016 -4.312 1.00 0.00 H new ATOM 0 HG SER A 102 11.518 1.013 -5.999 1.00 0.00 H new ATOM 303 N PHE A 103 8.293 3.702 -4.873 1.00 0.00 N ATOM 304 CA PHE A 103 8.001 4.923 -5.674 1.00 0.00 C ATOM 305 C PHE A 103 8.206 6.167 -4.806 1.00 0.00 C ATOM 306 O PHE A 103 8.663 6.083 -3.683 1.00 0.00 O ATOM 307 CB PHE A 103 6.553 4.878 -6.167 1.00 0.00 C ATOM 308 CG PHE A 103 5.637 4.525 -5.019 1.00 0.00 C ATOM 309 CD1 PHE A 103 5.105 5.537 -4.213 1.00 0.00 C ATOM 310 CD2 PHE A 103 5.316 3.185 -4.764 1.00 0.00 C ATOM 311 CE1 PHE A 103 4.252 5.212 -3.152 1.00 0.00 C ATOM 312 CE2 PHE A 103 4.464 2.860 -3.702 1.00 0.00 C ATOM 313 CZ PHE A 103 3.932 3.874 -2.895 1.00 0.00 C ATOM 0 H PHE A 103 8.488 3.867 -3.885 1.00 0.00 H new ATOM 0 HA PHE A 103 8.675 4.963 -6.530 1.00 0.00 H new ATOM 0 HB2 PHE A 103 6.271 5.844 -6.587 1.00 0.00 H new ATOM 0 HB3 PHE A 103 6.453 4.142 -6.965 1.00 0.00 H new ATOM 0 HD1 PHE A 103 5.353 6.570 -4.410 1.00 0.00 H new ATOM 0 HD2 PHE A 103 5.726 2.403 -5.387 1.00 0.00 H new ATOM 0 HE1 PHE A 103 3.841 5.994 -2.531 1.00 0.00 H new ATOM 0 HE2 PHE A 103 4.217 1.827 -3.505 1.00 0.00 H new ATOM 0 HZ PHE A 103 3.275 3.623 -2.075 1.00 0.00 H new ATOM 323 N HIS A 104 7.872 7.320 -5.317 1.00 0.00 N ATOM 324 CA HIS A 104 8.049 8.568 -4.521 1.00 0.00 C ATOM 325 C HIS A 104 6.709 9.301 -4.414 1.00 0.00 C ATOM 326 O HIS A 104 5.793 9.054 -5.173 1.00 0.00 O ATOM 327 CB HIS A 104 9.073 9.473 -5.210 1.00 0.00 C ATOM 328 CG HIS A 104 10.451 8.891 -5.047 1.00 0.00 C ATOM 329 ND1 HIS A 104 11.113 8.255 -6.085 1.00 0.00 N ATOM 330 CD2 HIS A 104 11.306 8.845 -3.973 1.00 0.00 C ATOM 331 CE1 HIS A 104 12.312 7.857 -5.618 1.00 0.00 C ATOM 332 NE2 HIS A 104 12.480 8.192 -4.336 1.00 0.00 N ATOM 0 H HIS A 104 7.484 7.452 -6.251 1.00 0.00 H new ATOM 0 HA HIS A 104 8.404 8.314 -3.522 1.00 0.00 H new ATOM 0 HB2 HIS A 104 8.832 9.572 -6.268 1.00 0.00 H new ATOM 0 HB3 HIS A 104 9.037 10.474 -4.780 1.00 0.00 H new ATOM 0 HD2 HIS A 104 11.099 9.254 -2.995 1.00 0.00 H new ATOM 0 HE1 HIS A 104 13.048 7.331 -6.208 1.00 0.00 H new ATOM 0 HE2 HIS A 104 13.294 8.009 -3.749 1.00 0.00 H new ATOM 340 N LYS A 105 6.588 10.202 -3.477 1.00 0.00 N ATOM 341 CA LYS A 105 5.310 10.950 -3.323 1.00 0.00 C ATOM 342 C LYS A 105 4.963 11.638 -4.645 1.00 0.00 C ATOM 343 O LYS A 105 5.632 12.557 -5.073 1.00 0.00 O ATOM 344 CB LYS A 105 5.465 11.998 -2.214 1.00 0.00 C ATOM 345 CG LYS A 105 4.333 13.026 -2.305 1.00 0.00 C ATOM 346 CD LYS A 105 4.805 14.231 -3.121 1.00 0.00 C ATOM 347 CE LYS A 105 4.252 15.517 -2.505 1.00 0.00 C ATOM 348 NZ LYS A 105 4.858 16.693 -3.189 1.00 0.00 N ATOM 0 H LYS A 105 7.320 10.452 -2.812 1.00 0.00 H new ATOM 0 HA LYS A 105 4.509 10.261 -3.056 1.00 0.00 H new ATOM 0 HB2 LYS A 105 5.449 11.512 -1.238 1.00 0.00 H new ATOM 0 HB3 LYS A 105 6.430 12.497 -2.306 1.00 0.00 H new ATOM 0 HG2 LYS A 105 3.456 12.577 -2.772 1.00 0.00 H new ATOM 0 HG3 LYS A 105 4.034 13.344 -1.306 1.00 0.00 H new ATOM 0 HD2 LYS A 105 5.894 14.265 -3.141 1.00 0.00 H new ATOM 0 HD3 LYS A 105 4.470 14.137 -4.154 1.00 0.00 H new ATOM 0 HE2 LYS A 105 3.167 15.544 -2.605 1.00 0.00 H new ATOM 0 HE3 LYS A 105 4.475 15.548 -1.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 4.483 17.569 -2.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 5.891 16.668 -3.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 4.623 16.664 -4.202 1.00 0.00 H new ATOM 362 N GLY A 106 3.920 11.199 -5.295 1.00 0.00 N ATOM 363 CA GLY A 106 3.530 11.824 -6.590 1.00 0.00 C ATOM 364 C GLY A 106 3.364 10.736 -7.654 1.00 0.00 C ATOM 365 O GLY A 106 3.041 11.013 -8.792 1.00 0.00 O ATOM 0 H GLY A 106 3.321 10.434 -4.985 1.00 0.00 H new ATOM 0 HA2 GLY A 106 2.598 12.378 -6.473 1.00 0.00 H new ATOM 0 HA3 GLY A 106 4.289 12.541 -6.903 1.00 0.00 H new ATOM 369 N GLU A 107 3.583 9.500 -7.293 1.00 0.00 N ATOM 370 CA GLU A 107 3.440 8.397 -8.286 1.00 0.00 C ATOM 371 C GLU A 107 1.965 8.005 -8.412 1.00 0.00 C ATOM 372 O GLU A 107 1.213 8.069 -7.459 1.00 0.00 O ATOM 373 CB GLU A 107 4.248 7.184 -7.820 1.00 0.00 C ATOM 374 CG GLU A 107 4.998 6.583 -9.011 1.00 0.00 C ATOM 375 CD GLU A 107 6.156 7.503 -9.402 1.00 0.00 C ATOM 376 OE1 GLU A 107 5.889 8.635 -9.768 1.00 0.00 O ATOM 377 OE2 GLU A 107 7.291 7.059 -9.331 1.00 0.00 O ATOM 0 H GLU A 107 3.854 9.207 -6.354 1.00 0.00 H new ATOM 0 HA GLU A 107 3.810 8.734 -9.254 1.00 0.00 H new ATOM 0 HB2 GLU A 107 4.954 7.480 -7.044 1.00 0.00 H new ATOM 0 HB3 GLU A 107 3.585 6.439 -7.380 1.00 0.00 H new ATOM 0 HG2 GLU A 107 5.376 5.594 -8.754 1.00 0.00 H new ATOM 0 HG3 GLU A 107 4.320 6.456 -9.855 1.00 0.00 H new ATOM 384 N LYS A 108 1.548 7.596 -9.579 1.00 0.00 N ATOM 385 CA LYS A 108 0.122 7.198 -9.764 1.00 0.00 C ATOM 386 C LYS A 108 -0.018 5.689 -9.540 1.00 0.00 C ATOM 387 O LYS A 108 0.903 4.931 -9.770 1.00 0.00 O ATOM 388 CB LYS A 108 -0.324 7.546 -11.187 1.00 0.00 C ATOM 389 CG LYS A 108 0.205 8.931 -11.566 1.00 0.00 C ATOM 390 CD LYS A 108 -0.412 9.985 -10.645 1.00 0.00 C ATOM 391 CE LYS A 108 -1.322 10.907 -11.460 1.00 0.00 C ATOM 392 NZ LYS A 108 -2.601 11.120 -10.725 1.00 0.00 N ATOM 0 H LYS A 108 2.132 7.520 -10.412 1.00 0.00 H new ATOM 0 HA LYS A 108 -0.501 7.732 -9.047 1.00 0.00 H new ATOM 0 HB2 LYS A 108 0.048 6.799 -11.888 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -1.412 7.531 -11.252 1.00 0.00 H new ATOM 0 HG2 LYS A 108 1.292 8.952 -11.483 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -0.039 9.153 -12.605 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -0.983 9.501 -9.853 1.00 0.00 H new ATOM 0 HD3 LYS A 108 0.374 10.566 -10.162 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -0.827 11.862 -11.634 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -1.521 10.468 -12.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -3.219 11.747 -11.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -3.075 10.206 -10.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -2.403 11.557 -9.802 1.00 0.00 H new ATOM 406 N PHE A 109 -1.163 5.249 -9.093 1.00 0.00 N ATOM 407 CA PHE A 109 -1.357 3.789 -8.854 1.00 0.00 C ATOM 408 C PHE A 109 -2.824 3.418 -9.082 1.00 0.00 C ATOM 409 O PHE A 109 -3.724 4.130 -8.683 1.00 0.00 O ATOM 410 CB PHE A 109 -0.970 3.450 -7.413 1.00 0.00 C ATOM 411 CG PHE A 109 0.529 3.543 -7.253 1.00 0.00 C ATOM 412 CD1 PHE A 109 1.362 2.648 -7.934 1.00 0.00 C ATOM 413 CD2 PHE A 109 1.084 4.524 -6.422 1.00 0.00 C ATOM 414 CE1 PHE A 109 2.751 2.734 -7.784 1.00 0.00 C ATOM 415 CE2 PHE A 109 2.473 4.610 -6.273 1.00 0.00 C ATOM 416 CZ PHE A 109 3.307 3.715 -6.954 1.00 0.00 C ATOM 0 H PHE A 109 -1.971 5.835 -8.883 1.00 0.00 H new ATOM 0 HA PHE A 109 -0.728 3.227 -9.545 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -1.462 4.136 -6.723 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -1.311 2.446 -7.161 1.00 0.00 H new ATOM 0 HD1 PHE A 109 0.933 1.892 -8.575 1.00 0.00 H new ATOM 0 HD2 PHE A 109 0.441 5.214 -5.896 1.00 0.00 H new ATOM 0 HE1 PHE A 109 3.394 2.043 -8.309 1.00 0.00 H new ATOM 0 HE2 PHE A 109 2.902 5.367 -5.633 1.00 0.00 H new ATOM 0 HZ PHE A 109 4.379 3.781 -6.839 1.00 0.00 H new ATOM 426 N GLN A 110 -3.072 2.304 -9.714 1.00 0.00 N ATOM 427 CA GLN A 110 -4.479 1.881 -9.962 1.00 0.00 C ATOM 428 C GLN A 110 -4.862 0.791 -8.958 1.00 0.00 C ATOM 429 O GLN A 110 -4.499 -0.359 -9.107 1.00 0.00 O ATOM 430 CB GLN A 110 -4.603 1.331 -11.385 1.00 0.00 C ATOM 431 CG GLN A 110 -4.225 2.423 -12.388 1.00 0.00 C ATOM 432 CD GLN A 110 -5.278 2.485 -13.496 1.00 0.00 C ATOM 433 OE1 GLN A 110 -6.422 2.805 -13.246 1.00 0.00 O ATOM 434 NE2 GLN A 110 -4.934 2.191 -14.721 1.00 0.00 N ATOM 0 H GLN A 110 -2.359 1.667 -10.070 1.00 0.00 H new ATOM 0 HA GLN A 110 -5.145 2.736 -9.845 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -3.952 0.466 -11.510 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -5.623 0.991 -11.568 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -4.155 3.387 -11.883 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -3.244 2.215 -12.815 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -3.973 1.922 -14.930 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -5.627 2.230 -15.469 1.00 0.00 H new ATOM 443 N ILE A 111 -5.587 1.143 -7.931 1.00 0.00 N ATOM 444 CA ILE A 111 -5.984 0.125 -6.918 1.00 0.00 C ATOM 445 C ILE A 111 -6.967 -0.867 -7.541 1.00 0.00 C ATOM 446 O ILE A 111 -8.088 -0.526 -7.863 1.00 0.00 O ATOM 447 CB ILE A 111 -6.651 0.815 -5.725 1.00 0.00 C ATOM 448 CG1 ILE A 111 -5.638 1.726 -5.029 1.00 0.00 C ATOM 449 CG2 ILE A 111 -7.142 -0.243 -4.734 1.00 0.00 C ATOM 450 CD1 ILE A 111 -4.388 0.920 -4.672 1.00 0.00 C ATOM 0 H ILE A 111 -5.921 2.090 -7.750 1.00 0.00 H new ATOM 0 HA ILE A 111 -5.094 -0.407 -6.580 1.00 0.00 H new ATOM 0 HB ILE A 111 -7.495 1.409 -6.076 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -5.373 2.558 -5.681 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -6.077 2.154 -4.128 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -7.617 0.247 -3.884 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -7.863 -0.896 -5.226 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -6.296 -0.835 -4.385 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -3.666 1.569 -4.176 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -4.660 0.103 -4.004 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -3.946 0.513 -5.581 1.00 0.00 H new ATOM 462 N LEU A 112 -6.562 -2.097 -7.700 1.00 0.00 N ATOM 463 CA LEU A 112 -7.480 -3.112 -8.287 1.00 0.00 C ATOM 464 C LEU A 112 -8.170 -3.865 -7.151 1.00 0.00 C ATOM 465 O LEU A 112 -9.340 -4.184 -7.219 1.00 0.00 O ATOM 466 CB LEU A 112 -6.681 -4.101 -9.141 1.00 0.00 C ATOM 467 CG LEU A 112 -5.512 -3.377 -9.806 1.00 0.00 C ATOM 468 CD1 LEU A 112 -4.645 -4.390 -10.557 1.00 0.00 C ATOM 469 CD2 LEU A 112 -6.050 -2.337 -10.793 1.00 0.00 C ATOM 0 H LEU A 112 -5.636 -2.442 -7.449 1.00 0.00 H new ATOM 0 HA LEU A 112 -8.222 -2.618 -8.914 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -6.311 -4.917 -8.520 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -7.325 -4.545 -9.900 1.00 0.00 H new ATOM 0 HG LEU A 112 -4.913 -2.879 -9.044 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -3.811 -3.874 -11.032 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -4.261 -5.131 -9.856 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -5.245 -4.888 -11.319 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -5.216 -1.820 -11.268 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -6.650 -2.835 -11.555 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -6.668 -1.615 -10.260 1.00 0.00 H new ATOM 481 N ASN A 113 -7.447 -4.145 -6.103 1.00 0.00 N ATOM 482 CA ASN A 113 -8.045 -4.873 -4.949 1.00 0.00 C ATOM 483 C ASN A 113 -7.657 -4.163 -3.650 1.00 0.00 C ATOM 484 O ASN A 113 -6.508 -3.836 -3.430 1.00 0.00 O ATOM 485 CB ASN A 113 -7.521 -6.311 -4.925 1.00 0.00 C ATOM 486 CG ASN A 113 -8.681 -7.282 -5.147 1.00 0.00 C ATOM 487 OD1 ASN A 113 -9.831 -6.890 -5.126 1.00 0.00 O ATOM 488 ND2 ASN A 113 -8.427 -8.544 -5.360 1.00 0.00 N ATOM 0 H ASN A 113 -6.463 -3.900 -5.996 1.00 0.00 H new ATOM 0 HA ASN A 113 -9.131 -4.887 -5.047 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -6.766 -6.447 -5.699 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -7.038 -6.517 -3.970 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -9.193 -9.200 -5.509 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -7.462 -8.874 -5.378 1.00 0.00 H new ATOM 495 N SER A 114 -8.607 -3.920 -2.790 1.00 0.00 N ATOM 496 CA SER A 114 -8.294 -3.230 -1.505 1.00 0.00 C ATOM 497 C SER A 114 -9.461 -3.427 -0.532 1.00 0.00 C ATOM 498 O SER A 114 -10.366 -2.618 -0.463 1.00 0.00 O ATOM 499 CB SER A 114 -8.094 -1.737 -1.768 1.00 0.00 C ATOM 500 OG SER A 114 -8.926 -1.335 -2.848 1.00 0.00 O ATOM 0 H SER A 114 -9.587 -4.169 -2.921 1.00 0.00 H new ATOM 0 HA SER A 114 -7.384 -3.647 -1.074 1.00 0.00 H new ATOM 0 HB2 SER A 114 -8.336 -1.163 -0.874 1.00 0.00 H new ATOM 0 HB3 SER A 114 -7.049 -1.534 -2.004 1.00 0.00 H new ATOM 0 HG SER A 114 -9.312 -0.455 -2.654 1.00 0.00 H new ATOM 539 N ASP A 118 -3.857 -3.411 5.116 1.00 0.00 N ATOM 540 CA ASP A 118 -2.568 -2.677 5.247 1.00 0.00 C ATOM 541 C ASP A 118 -1.843 -2.678 3.900 1.00 0.00 C ATOM 542 O ASP A 118 -1.192 -1.719 3.532 1.00 0.00 O ATOM 543 CB ASP A 118 -1.691 -3.368 6.294 1.00 0.00 C ATOM 544 CG ASP A 118 -1.709 -2.558 7.592 1.00 0.00 C ATOM 545 OD1 ASP A 118 -2.753 -2.019 7.917 1.00 0.00 O ATOM 546 OD2 ASP A 118 -0.677 -2.493 8.239 1.00 0.00 O ATOM 0 HA ASP A 118 -2.765 -1.650 5.556 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -2.055 -4.379 6.479 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -0.670 -3.460 5.925 1.00 0.00 H new ATOM 551 N TRP A 119 -1.945 -3.750 3.163 1.00 0.00 N ATOM 552 CA TRP A 119 -1.256 -3.814 1.844 1.00 0.00 C ATOM 553 C TRP A 119 -2.281 -4.015 0.727 1.00 0.00 C ATOM 554 O TRP A 119 -2.847 -5.079 0.574 1.00 0.00 O ATOM 555 CB TRP A 119 -0.274 -4.988 1.841 1.00 0.00 C ATOM 556 CG TRP A 119 0.795 -4.750 2.857 1.00 0.00 C ATOM 557 CD1 TRP A 119 0.907 -5.408 4.035 1.00 0.00 C ATOM 558 CD2 TRP A 119 1.903 -3.806 2.809 1.00 0.00 C ATOM 559 NE1 TRP A 119 2.013 -4.926 4.712 1.00 0.00 N ATOM 560 CE2 TRP A 119 2.660 -3.937 3.997 1.00 0.00 C ATOM 561 CE3 TRP A 119 2.321 -2.858 1.858 1.00 0.00 C ATOM 562 CZ2 TRP A 119 3.791 -3.155 4.234 1.00 0.00 C ATOM 563 CZ3 TRP A 119 3.458 -2.069 2.093 1.00 0.00 C ATOM 564 CH2 TRP A 119 4.192 -2.217 3.278 1.00 0.00 C ATOM 0 H TRP A 119 -2.475 -4.583 3.417 1.00 0.00 H new ATOM 0 HA TRP A 119 -0.720 -2.880 1.677 1.00 0.00 H new ATOM 0 HB2 TRP A 119 -0.801 -5.916 2.063 1.00 0.00 H new ATOM 0 HB3 TRP A 119 0.169 -5.102 0.852 1.00 0.00 H new ATOM 0 HD1 TRP A 119 0.242 -6.182 4.388 1.00 0.00 H new ATOM 0 HE1 TRP A 119 2.314 -5.260 5.627 1.00 0.00 H new ATOM 0 HE3 TRP A 119 1.764 -2.736 0.941 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 4.352 -3.273 5.149 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 3.769 -1.343 1.356 1.00 0.00 H new ATOM 0 HH2 TRP A 119 5.066 -1.607 3.452 1.00 0.00 H new ATOM 575 N TRP A 120 -2.514 -3.005 -0.067 1.00 0.00 N ATOM 576 CA TRP A 120 -3.488 -3.148 -1.185 1.00 0.00 C ATOM 577 C TRP A 120 -2.731 -3.556 -2.449 1.00 0.00 C ATOM 578 O TRP A 120 -1.530 -3.403 -2.536 1.00 0.00 O ATOM 579 CB TRP A 120 -4.189 -1.812 -1.441 1.00 0.00 C ATOM 580 CG TRP A 120 -5.236 -1.572 -0.404 1.00 0.00 C ATOM 581 CD1 TRP A 120 -5.612 -2.453 0.549 1.00 0.00 C ATOM 582 CD2 TRP A 120 -6.050 -0.382 -0.207 1.00 0.00 C ATOM 583 NE1 TRP A 120 -6.606 -1.878 1.321 1.00 0.00 N ATOM 584 CE2 TRP A 120 -6.910 -0.600 0.894 1.00 0.00 C ATOM 585 CE3 TRP A 120 -6.123 0.855 -0.874 1.00 0.00 C ATOM 586 CZ2 TRP A 120 -7.811 0.376 1.320 1.00 0.00 C ATOM 587 CZ3 TRP A 120 -7.028 1.839 -0.449 1.00 0.00 C ATOM 588 CH2 TRP A 120 -7.871 1.600 0.647 1.00 0.00 C ATOM 0 H TRP A 120 -2.072 -2.089 0.011 1.00 0.00 H new ATOM 0 HA TRP A 120 -4.230 -3.902 -0.923 1.00 0.00 H new ATOM 0 HB2 TRP A 120 -3.460 -1.002 -1.426 1.00 0.00 H new ATOM 0 HB3 TRP A 120 -4.642 -1.815 -2.432 1.00 0.00 H new ATOM 0 HD1 TRP A 120 -5.204 -3.443 0.686 1.00 0.00 H new ATOM 0 HE1 TRP A 120 -7.059 -2.341 2.109 1.00 0.00 H new ATOM 0 HE3 TRP A 120 -5.478 1.048 -1.719 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 -8.458 0.187 2.164 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 -7.076 2.785 -0.968 1.00 0.00 H new ATOM 0 HH2 TRP A 120 -8.566 2.361 0.970 1.00 0.00 H new ATOM 599 N GLU A 121 -3.418 -4.062 -3.433 1.00 0.00 N ATOM 600 CA GLU A 121 -2.725 -4.464 -4.691 1.00 0.00 C ATOM 601 C GLU A 121 -3.043 -3.445 -5.786 1.00 0.00 C ATOM 602 O GLU A 121 -4.146 -3.388 -6.293 1.00 0.00 O ATOM 603 CB GLU A 121 -3.196 -5.855 -5.129 1.00 0.00 C ATOM 604 CG GLU A 121 -4.615 -6.114 -4.619 1.00 0.00 C ATOM 605 CD GLU A 121 -4.562 -6.510 -3.143 1.00 0.00 C ATOM 606 OE1 GLU A 121 -3.505 -6.928 -2.700 1.00 0.00 O ATOM 607 OE2 GLU A 121 -5.578 -6.388 -2.479 1.00 0.00 O ATOM 0 H GLU A 121 -4.426 -4.215 -3.423 1.00 0.00 H new ATOM 0 HA GLU A 121 -1.649 -4.495 -4.517 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -3.173 -5.930 -6.216 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -2.518 -6.616 -4.742 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -5.227 -5.221 -4.745 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -5.084 -6.906 -5.203 1.00 0.00 H new ATOM 614 N ALA A 122 -2.086 -2.638 -6.153 1.00 0.00 N ATOM 615 CA ALA A 122 -2.333 -1.620 -7.213 1.00 0.00 C ATOM 616 C ALA A 122 -1.411 -1.889 -8.403 1.00 0.00 C ATOM 617 O ALA A 122 -0.454 -2.630 -8.305 1.00 0.00 O ATOM 618 CB ALA A 122 -2.048 -0.224 -6.653 1.00 0.00 C ATOM 0 H ALA A 122 -1.143 -2.639 -5.764 1.00 0.00 H new ATOM 0 HA ALA A 122 -3.372 -1.678 -7.538 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -2.228 0.522 -7.427 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -2.704 -0.032 -5.804 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -1.009 -0.167 -6.329 1.00 0.00 H new ATOM 624 N ARG A 123 -1.689 -1.289 -9.528 1.00 0.00 N ATOM 625 CA ARG A 123 -0.826 -1.510 -10.722 1.00 0.00 C ATOM 626 C ARG A 123 -0.095 -0.211 -11.068 1.00 0.00 C ATOM 627 O ARG A 123 -0.705 0.811 -11.315 1.00 0.00 O ATOM 628 CB ARG A 123 -1.693 -1.938 -11.906 1.00 0.00 C ATOM 629 CG ARG A 123 -1.013 -3.090 -12.648 1.00 0.00 C ATOM 630 CD ARG A 123 -1.720 -3.325 -13.983 1.00 0.00 C ATOM 631 NE ARG A 123 -0.842 -4.136 -14.874 1.00 0.00 N ATOM 632 CZ ARG A 123 -0.979 -4.063 -16.169 1.00 0.00 C ATOM 633 NH1 ARG A 123 -0.415 -3.090 -16.830 1.00 0.00 N ATOM 634 NH2 ARG A 123 -1.678 -4.964 -16.803 1.00 0.00 N ATOM 0 H ARG A 123 -2.476 -0.656 -9.672 1.00 0.00 H new ATOM 0 HA ARG A 123 -0.098 -2.291 -10.505 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -2.678 -2.248 -11.556 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -1.845 -1.096 -12.582 1.00 0.00 H new ATOM 0 HG2 ARG A 123 0.038 -2.857 -12.817 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -1.046 -3.996 -12.043 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -2.666 -3.841 -13.820 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -1.954 -2.371 -14.456 1.00 0.00 H new ATOM 0 HE ARG A 123 -0.133 -4.749 -14.470 1.00 0.00 H new ATOM 0 HH11 ARG A 123 0.133 -2.387 -16.334 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -0.522 -3.032 -17.843 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -2.117 -5.726 -16.286 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -1.785 -4.907 -17.816 1.00 0.00 H new ATOM 648 N SER A 124 1.210 -0.241 -11.090 1.00 0.00 N ATOM 649 CA SER A 124 1.978 0.992 -11.420 1.00 0.00 C ATOM 650 C SER A 124 1.782 1.336 -12.897 1.00 0.00 C ATOM 651 O SER A 124 2.142 0.576 -13.773 1.00 0.00 O ATOM 652 CB SER A 124 3.463 0.755 -11.147 1.00 0.00 C ATOM 653 OG SER A 124 4.108 2.004 -10.936 1.00 0.00 O ATOM 0 H SER A 124 1.777 -1.066 -10.894 1.00 0.00 H new ATOM 0 HA SER A 124 1.621 1.817 -10.804 1.00 0.00 H new ATOM 0 HB2 SER A 124 3.586 0.117 -10.272 1.00 0.00 H new ATOM 0 HB3 SER A 124 3.920 0.234 -11.988 1.00 0.00 H new ATOM 0 HG SER A 124 5.006 1.979 -11.329 1.00 0.00 H new ATOM 659 N LEU A 125 1.214 2.476 -13.181 1.00 0.00 N ATOM 660 CA LEU A 125 0.998 2.867 -14.603 1.00 0.00 C ATOM 661 C LEU A 125 2.319 3.354 -15.200 1.00 0.00 C ATOM 662 O LEU A 125 2.508 3.350 -16.400 1.00 0.00 O ATOM 663 CB LEU A 125 -0.038 3.990 -14.672 1.00 0.00 C ATOM 664 CG LEU A 125 -1.439 3.399 -14.508 1.00 0.00 C ATOM 665 CD1 LEU A 125 -2.432 4.518 -14.186 1.00 0.00 C ATOM 666 CD2 LEU A 125 -1.855 2.710 -15.809 1.00 0.00 C ATOM 0 H LEU A 125 0.890 3.153 -12.490 1.00 0.00 H new ATOM 0 HA LEU A 125 0.637 2.007 -15.167 1.00 0.00 H new ATOM 0 HB2 LEU A 125 0.153 4.724 -13.889 1.00 0.00 H new ATOM 0 HB3 LEU A 125 0.039 4.513 -15.625 1.00 0.00 H new ATOM 0 HG LEU A 125 -1.434 2.673 -13.695 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -3.430 4.096 -14.069 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -2.136 5.012 -13.260 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -2.438 5.244 -14.999 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -2.853 2.288 -15.694 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -1.860 3.438 -16.621 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -1.149 1.913 -16.041 1.00 0.00 H new ATOM 678 N THR A 126 3.236 3.772 -14.371 1.00 0.00 N ATOM 679 CA THR A 126 4.545 4.259 -14.889 1.00 0.00 C ATOM 680 C THR A 126 5.422 3.062 -15.261 1.00 0.00 C ATOM 681 O THR A 126 5.914 2.960 -16.367 1.00 0.00 O ATOM 682 CB THR A 126 5.244 5.086 -13.808 1.00 0.00 C ATOM 683 OG1 THR A 126 4.299 5.946 -13.189 1.00 0.00 O ATOM 684 CG2 THR A 126 6.360 5.920 -14.441 1.00 0.00 C ATOM 0 H THR A 126 3.135 3.797 -13.356 1.00 0.00 H new ATOM 0 HA THR A 126 4.380 4.878 -15.771 1.00 0.00 H new ATOM 0 HB THR A 126 5.674 4.419 -13.060 1.00 0.00 H new ATOM 0 HG1 THR A 126 4.744 6.476 -12.495 1.00 0.00 H new ATOM 0 HG21 THR A 126 6.857 6.508 -13.670 1.00 0.00 H new ATOM 0 HG22 THR A 126 7.085 5.258 -14.915 1.00 0.00 H new ATOM 0 HG23 THR A 126 5.935 6.588 -15.190 1.00 0.00 H new ATOM 692 N THR A 127 5.621 2.154 -14.345 1.00 0.00 N ATOM 693 CA THR A 127 6.466 0.963 -14.644 1.00 0.00 C ATOM 694 C THR A 127 5.628 -0.079 -15.387 1.00 0.00 C ATOM 695 O THR A 127 6.021 -0.587 -16.417 1.00 0.00 O ATOM 696 CB THR A 127 6.979 0.360 -13.332 1.00 0.00 C ATOM 697 OG1 THR A 127 5.996 0.530 -12.320 1.00 0.00 O ATOM 698 CG2 THR A 127 8.271 1.063 -12.913 1.00 0.00 C ATOM 0 H THR A 127 5.235 2.185 -13.402 1.00 0.00 H new ATOM 0 HA THR A 127 7.312 1.262 -15.263 1.00 0.00 H new ATOM 0 HB THR A 127 7.177 -0.702 -13.474 1.00 0.00 H new ATOM 0 HG1 THR A 127 6.321 0.144 -11.480 1.00 0.00 H new ATOM 0 HG21 THR A 127 8.633 0.632 -11.980 1.00 0.00 H new ATOM 0 HG22 THR A 127 9.025 0.933 -13.690 1.00 0.00 H new ATOM 0 HG23 THR A 127 8.077 2.126 -12.771 1.00 0.00 H new ATOM 706 N GLY A 128 4.475 -0.403 -14.868 1.00 0.00 N ATOM 707 CA GLY A 128 3.613 -1.413 -15.541 1.00 0.00 C ATOM 708 C GLY A 128 3.629 -2.715 -14.736 1.00 0.00 C ATOM 709 O GLY A 128 3.084 -3.719 -15.151 1.00 0.00 O ATOM 0 H GLY A 128 4.094 -0.011 -14.007 1.00 0.00 H new ATOM 0 HA2 GLY A 128 2.593 -1.038 -15.626 1.00 0.00 H new ATOM 0 HA3 GLY A 128 3.971 -1.595 -16.554 1.00 0.00 H new ATOM 713 N GLU A 129 4.251 -2.706 -13.589 1.00 0.00 N ATOM 714 CA GLU A 129 4.302 -3.943 -12.760 1.00 0.00 C ATOM 715 C GLU A 129 3.260 -3.853 -11.642 1.00 0.00 C ATOM 716 O GLU A 129 2.966 -2.787 -11.138 1.00 0.00 O ATOM 717 CB GLU A 129 5.697 -4.087 -12.148 1.00 0.00 C ATOM 718 CG GLU A 129 6.589 -4.897 -13.092 1.00 0.00 C ATOM 719 CD GLU A 129 7.639 -5.655 -12.278 1.00 0.00 C ATOM 720 OE1 GLU A 129 7.250 -6.423 -11.415 1.00 0.00 O ATOM 721 OE2 GLU A 129 8.816 -5.454 -12.534 1.00 0.00 O ATOM 0 H GLU A 129 4.726 -1.896 -13.190 1.00 0.00 H new ATOM 0 HA GLU A 129 4.087 -4.809 -13.386 1.00 0.00 H new ATOM 0 HB2 GLU A 129 6.133 -3.103 -11.974 1.00 0.00 H new ATOM 0 HB3 GLU A 129 5.631 -4.582 -11.179 1.00 0.00 H new ATOM 0 HG2 GLU A 129 5.985 -5.598 -13.668 1.00 0.00 H new ATOM 0 HG3 GLU A 129 7.077 -4.234 -13.807 1.00 0.00 H new ATOM 728 N THR A 130 2.702 -4.966 -11.249 1.00 0.00 N ATOM 729 CA THR A 130 1.681 -4.950 -10.162 1.00 0.00 C ATOM 730 C THR A 130 2.339 -5.364 -8.844 1.00 0.00 C ATOM 731 O THR A 130 3.177 -6.242 -8.809 1.00 0.00 O ATOM 732 CB THR A 130 0.559 -5.933 -10.502 1.00 0.00 C ATOM 733 OG1 THR A 130 0.141 -5.727 -11.844 1.00 0.00 O ATOM 734 CG2 THR A 130 -0.623 -5.711 -9.557 1.00 0.00 C ATOM 0 H THR A 130 2.909 -5.887 -11.634 1.00 0.00 H new ATOM 0 HA THR A 130 1.267 -3.946 -10.065 1.00 0.00 H new ATOM 0 HB THR A 130 0.924 -6.954 -10.388 1.00 0.00 H new ATOM 0 HG1 THR A 130 -0.577 -6.357 -12.064 1.00 0.00 H new ATOM 0 HG21 THR A 130 -1.421 -6.412 -9.801 1.00 0.00 H new ATOM 0 HG22 THR A 130 -0.301 -5.871 -8.528 1.00 0.00 H new ATOM 0 HG23 THR A 130 -0.990 -4.691 -9.667 1.00 0.00 H new ATOM 742 N GLY A 131 1.966 -4.744 -7.758 1.00 0.00 N ATOM 743 CA GLY A 131 2.577 -5.112 -6.449 1.00 0.00 C ATOM 744 C GLY A 131 1.665 -4.657 -5.309 1.00 0.00 C ATOM 745 O GLY A 131 0.572 -4.175 -5.531 1.00 0.00 O ATOM 0 H GLY A 131 1.268 -4.002 -7.720 1.00 0.00 H new ATOM 0 HA2 GLY A 131 2.729 -6.190 -6.398 1.00 0.00 H new ATOM 0 HA3 GLY A 131 3.558 -4.647 -6.351 1.00 0.00 H new ATOM 749 N TYR A 132 2.106 -4.809 -4.089 1.00 0.00 N ATOM 750 CA TYR A 132 1.259 -4.390 -2.937 1.00 0.00 C ATOM 751 C TYR A 132 1.841 -3.128 -2.294 1.00 0.00 C ATOM 752 O TYR A 132 2.941 -3.134 -1.778 1.00 0.00 O ATOM 753 CB TYR A 132 1.217 -5.515 -1.899 1.00 0.00 C ATOM 754 CG TYR A 132 0.685 -6.780 -2.532 1.00 0.00 C ATOM 755 CD1 TYR A 132 -0.106 -6.712 -3.687 1.00 0.00 C ATOM 756 CD2 TYR A 132 0.982 -8.023 -1.960 1.00 0.00 C ATOM 757 CE1 TYR A 132 -0.597 -7.889 -4.268 1.00 0.00 C ATOM 758 CE2 TYR A 132 0.491 -9.197 -2.541 1.00 0.00 C ATOM 759 CZ TYR A 132 -0.299 -9.131 -3.695 1.00 0.00 C ATOM 760 OH TYR A 132 -0.785 -10.290 -4.267 1.00 0.00 O ATOM 0 H TYR A 132 3.013 -5.204 -3.842 1.00 0.00 H new ATOM 0 HA TYR A 132 0.250 -4.180 -3.293 1.00 0.00 H new ATOM 0 HB2 TYR A 132 2.216 -5.690 -1.499 1.00 0.00 H new ATOM 0 HB3 TYR A 132 0.585 -5.224 -1.060 1.00 0.00 H new ATOM 0 HD1 TYR A 132 -0.337 -5.754 -4.129 1.00 0.00 H new ATOM 0 HD2 TYR A 132 1.591 -8.075 -1.069 1.00 0.00 H new ATOM 0 HE1 TYR A 132 -1.206 -7.838 -5.159 1.00 0.00 H new ATOM 0 HE2 TYR A 132 0.722 -10.155 -2.099 1.00 0.00 H new ATOM 0 HH TYR A 132 -0.484 -11.063 -3.745 1.00 0.00 H new ATOM 770 N ILE A 133 1.105 -2.049 -2.313 1.00 0.00 N ATOM 771 CA ILE A 133 1.607 -0.789 -1.695 1.00 0.00 C ATOM 772 C ILE A 133 0.758 -0.464 -0.462 1.00 0.00 C ATOM 773 O ILE A 133 -0.355 -0.934 -0.342 1.00 0.00 O ATOM 774 CB ILE A 133 1.498 0.357 -2.705 1.00 0.00 C ATOM 775 CG1 ILE A 133 0.035 0.538 -3.118 1.00 0.00 C ATOM 776 CG2 ILE A 133 2.336 0.032 -3.942 1.00 0.00 C ATOM 777 CD1 ILE A 133 -0.052 1.563 -4.250 1.00 0.00 C ATOM 0 H ILE A 133 0.177 -1.986 -2.731 1.00 0.00 H new ATOM 0 HA ILE A 133 2.650 -0.914 -1.403 1.00 0.00 H new ATOM 0 HB ILE A 133 1.865 1.276 -2.248 1.00 0.00 H new ATOM 0 HG12 ILE A 133 -0.383 -0.415 -3.443 1.00 0.00 H new ATOM 0 HG13 ILE A 133 -0.556 0.871 -2.265 1.00 0.00 H new ATOM 0 HG21 ILE A 133 2.257 0.849 -4.660 1.00 0.00 H new ATOM 0 HG22 ILE A 133 3.379 -0.097 -3.652 1.00 0.00 H new ATOM 0 HG23 ILE A 133 1.970 -0.888 -4.398 1.00 0.00 H new ATOM 0 HD11 ILE A 133 -1.093 1.692 -4.545 1.00 0.00 H new ATOM 0 HD12 ILE A 133 0.350 2.517 -3.909 1.00 0.00 H new ATOM 0 HD13 ILE A 133 0.526 1.211 -5.105 1.00 0.00 H new ATOM 789 N PRO A 134 1.307 0.335 0.418 1.00 0.00 N ATOM 790 CA PRO A 134 0.604 0.737 1.650 1.00 0.00 C ATOM 791 C PRO A 134 -0.695 1.466 1.297 1.00 0.00 C ATOM 792 O PRO A 134 -0.687 2.489 0.640 1.00 0.00 O ATOM 793 CB PRO A 134 1.580 1.676 2.372 1.00 0.00 C ATOM 794 CG PRO A 134 2.860 1.784 1.503 1.00 0.00 C ATOM 795 CD PRO A 134 2.658 0.900 0.260 1.00 0.00 C ATOM 0 HA PRO A 134 0.328 -0.114 2.272 1.00 0.00 H new ATOM 0 HB2 PRO A 134 1.130 2.659 2.515 1.00 0.00 H new ATOM 0 HB3 PRO A 134 1.821 1.289 3.362 1.00 0.00 H new ATOM 0 HG2 PRO A 134 3.038 2.819 1.211 1.00 0.00 H new ATOM 0 HG3 PRO A 134 3.734 1.457 2.067 1.00 0.00 H new ATOM 0 HD2 PRO A 134 2.739 1.483 -0.658 1.00 0.00 H new ATOM 0 HD3 PRO A 134 3.412 0.115 0.206 1.00 0.00 H new ATOM 803 N SER A 135 -1.813 0.942 1.720 1.00 0.00 N ATOM 804 CA SER A 135 -3.114 1.598 1.404 1.00 0.00 C ATOM 805 C SER A 135 -3.127 3.020 1.971 1.00 0.00 C ATOM 806 O SER A 135 -3.668 3.930 1.375 1.00 0.00 O ATOM 807 CB SER A 135 -4.256 0.791 2.023 1.00 0.00 C ATOM 808 OG SER A 135 -4.176 0.871 3.440 1.00 0.00 O ATOM 0 H SER A 135 -1.882 0.087 2.272 1.00 0.00 H new ATOM 0 HA SER A 135 -3.243 1.641 0.322 1.00 0.00 H new ATOM 0 HB2 SER A 135 -5.216 1.176 1.680 1.00 0.00 H new ATOM 0 HB3 SER A 135 -4.197 -0.249 1.702 1.00 0.00 H new ATOM 0 HG SER A 135 -4.908 0.356 3.839 1.00 0.00 H new ATOM 814 N ASN A 136 -2.539 3.219 3.119 1.00 0.00 N ATOM 815 CA ASN A 136 -2.524 4.584 3.719 1.00 0.00 C ATOM 816 C ASN A 136 -1.543 5.472 2.950 1.00 0.00 C ATOM 817 O ASN A 136 -1.606 6.684 3.014 1.00 0.00 O ATOM 818 CB ASN A 136 -2.091 4.496 5.184 1.00 0.00 C ATOM 819 CG ASN A 136 -3.231 4.978 6.084 1.00 0.00 C ATOM 820 OD1 ASN A 136 -4.194 4.269 6.298 1.00 0.00 O ATOM 821 ND2 ASN A 136 -3.162 6.164 6.623 1.00 0.00 N ATOM 0 H ASN A 136 -2.069 2.498 3.666 1.00 0.00 H new ATOM 0 HA ASN A 136 -3.524 5.014 3.661 1.00 0.00 H new ATOM 0 HB2 ASN A 136 -1.825 3.469 5.434 1.00 0.00 H new ATOM 0 HB3 ASN A 136 -1.202 5.104 5.348 1.00 0.00 H new ATOM 0 HD21 ASN A 136 -3.916 6.496 7.224 1.00 0.00 H new ATOM 0 HD22 ASN A 136 -2.354 6.760 6.444 1.00 0.00 H new ATOM 828 N TYR A 137 -0.633 4.880 2.225 1.00 0.00 N ATOM 829 CA TYR A 137 0.351 5.692 1.457 1.00 0.00 C ATOM 830 C TYR A 137 -0.271 6.137 0.130 1.00 0.00 C ATOM 831 O TYR A 137 0.376 6.759 -0.689 1.00 0.00 O ATOM 832 CB TYR A 137 1.597 4.851 1.176 1.00 0.00 C ATOM 833 CG TYR A 137 2.477 4.828 2.403 1.00 0.00 C ATOM 834 CD1 TYR A 137 1.926 4.520 3.652 1.00 0.00 C ATOM 835 CD2 TYR A 137 3.842 5.114 2.290 1.00 0.00 C ATOM 836 CE1 TYR A 137 2.740 4.499 4.790 1.00 0.00 C ATOM 837 CE2 TYR A 137 4.657 5.094 3.429 1.00 0.00 C ATOM 838 CZ TYR A 137 4.106 4.787 4.679 1.00 0.00 C ATOM 839 OH TYR A 137 4.908 4.768 5.803 1.00 0.00 O ATOM 0 H TYR A 137 -0.529 3.870 2.132 1.00 0.00 H new ATOM 0 HA TYR A 137 0.626 6.571 2.040 1.00 0.00 H new ATOM 0 HB2 TYR A 137 1.309 3.836 0.903 1.00 0.00 H new ATOM 0 HB3 TYR A 137 2.145 5.266 0.330 1.00 0.00 H new ATOM 0 HD1 TYR A 137 0.872 4.298 3.738 1.00 0.00 H new ATOM 0 HD2 TYR A 137 4.267 5.350 1.325 1.00 0.00 H new ATOM 0 HE1 TYR A 137 2.315 4.261 5.754 1.00 0.00 H new ATOM 0 HE2 TYR A 137 5.711 5.315 3.343 1.00 0.00 H new ATOM 0 HH TYR A 137 5.829 4.989 5.551 1.00 0.00 H new ATOM 849 N VAL A 138 -1.518 5.825 -0.089 1.00 0.00 N ATOM 850 CA VAL A 138 -2.171 6.234 -1.365 1.00 0.00 C ATOM 851 C VAL A 138 -3.513 6.904 -1.062 1.00 0.00 C ATOM 852 O VAL A 138 -4.154 6.613 -0.073 1.00 0.00 O ATOM 853 CB VAL A 138 -2.405 5.001 -2.238 1.00 0.00 C ATOM 854 CG1 VAL A 138 -1.086 4.578 -2.888 1.00 0.00 C ATOM 855 CG2 VAL A 138 -2.938 3.859 -1.372 1.00 0.00 C ATOM 0 H VAL A 138 -2.112 5.306 0.558 1.00 0.00 H new ATOM 0 HA VAL A 138 -1.525 6.936 -1.892 1.00 0.00 H new ATOM 0 HB VAL A 138 -3.132 5.237 -3.015 1.00 0.00 H new ATOM 0 HG11 VAL A 138 -1.253 3.699 -3.510 1.00 0.00 H new ATOM 0 HG12 VAL A 138 -0.707 5.393 -3.505 1.00 0.00 H new ATOM 0 HG13 VAL A 138 -0.358 4.341 -2.112 1.00 0.00 H new ATOM 0 HG21 VAL A 138 -3.105 2.979 -1.993 1.00 0.00 H new ATOM 0 HG22 VAL A 138 -2.211 3.622 -0.595 1.00 0.00 H new ATOM 0 HG23 VAL A 138 -3.878 4.161 -0.910 1.00 0.00 H new ATOM 865 N ALA A 139 -3.945 7.797 -1.911 1.00 0.00 N ATOM 866 CA ALA A 139 -5.246 8.482 -1.676 1.00 0.00 C ATOM 867 C ALA A 139 -5.949 8.709 -3.019 1.00 0.00 C ATOM 868 O ALA A 139 -5.302 8.908 -4.028 1.00 0.00 O ATOM 869 CB ALA A 139 -5.000 9.828 -0.991 1.00 0.00 C ATOM 0 H ALA A 139 -3.452 8.081 -2.757 1.00 0.00 H new ATOM 0 HA ALA A 139 -5.874 7.863 -1.036 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -5.953 10.329 -0.820 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -4.499 9.664 -0.037 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -4.372 10.451 -1.628 1.00 0.00 H new ATOM 875 N PRO A 140 -7.257 8.667 -2.990 1.00 0.00 N ATOM 876 CA PRO A 140 -8.075 8.860 -4.201 1.00 0.00 C ATOM 877 C PRO A 140 -7.822 10.246 -4.803 1.00 0.00 C ATOM 878 O PRO A 140 -8.340 11.241 -4.335 1.00 0.00 O ATOM 879 CB PRO A 140 -9.528 8.735 -3.718 1.00 0.00 C ATOM 880 CG PRO A 140 -9.496 8.463 -2.193 1.00 0.00 C ATOM 881 CD PRO A 140 -8.023 8.428 -1.754 1.00 0.00 C ATOM 0 HA PRO A 140 -7.838 8.135 -4.979 1.00 0.00 H new ATOM 0 HB2 PRO A 140 -10.082 9.649 -3.932 1.00 0.00 H new ATOM 0 HB3 PRO A 140 -10.036 7.925 -4.240 1.00 0.00 H new ATOM 0 HG2 PRO A 140 -10.037 9.241 -1.655 1.00 0.00 H new ATOM 0 HG3 PRO A 140 -9.986 7.517 -1.963 1.00 0.00 H new ATOM 0 HD2 PRO A 140 -7.815 9.192 -1.005 1.00 0.00 H new ATOM 0 HD3 PRO A 140 -7.766 7.467 -1.308 1.00 0.00 H new ATOM 889 N VAL A 141 -7.031 10.315 -5.840 1.00 0.00 N ATOM 890 CA VAL A 141 -6.744 11.634 -6.476 1.00 0.00 C ATOM 891 C VAL A 141 -8.040 12.439 -6.591 1.00 0.00 C ATOM 892 O VAL A 141 -9.096 11.828 -6.600 1.00 0.00 O ATOM 893 CB VAL A 141 -6.160 11.407 -7.872 1.00 0.00 C ATOM 894 CG1 VAL A 141 -7.121 10.547 -8.694 1.00 0.00 C ATOM 895 CG2 VAL A 141 -5.963 12.756 -8.568 1.00 0.00 C ATOM 896 OXT VAL A 141 -7.954 13.654 -6.666 1.00 0.00 O ATOM 0 H VAL A 141 -6.571 9.515 -6.274 1.00 0.00 H new ATOM 0 HA VAL A 141 -6.028 12.185 -5.865 1.00 0.00 H new ATOM 0 HB VAL A 141 -5.200 10.898 -7.785 1.00 0.00 H new ATOM 0 HG11 VAL A 141 -6.705 10.385 -9.688 1.00 0.00 H new ATOM 0 HG12 VAL A 141 -7.263 9.586 -8.200 1.00 0.00 H new ATOM 0 HG13 VAL A 141 -8.081 11.056 -8.781 1.00 0.00 H new ATOM 0 HG21 VAL A 141 -5.547 12.595 -9.563 1.00 0.00 H new ATOM 0 HG22 VAL A 141 -6.923 13.265 -8.654 1.00 0.00 H new ATOM 0 HG23 VAL A 141 -5.278 13.370 -7.983 1.00 0.00 H new