USER MOD reduce.3.24.130724 H: found=0, std=0, add=96, rem=0, adj=0 USER MOD reduce.3.24.130724 removed 97 hydrogens (0 hets) ATOM 59 N VAL A 123 10.578 3.190 -1.098 1.00 0.12 N ATOM 60 CA VAL A 123 9.876 2.230 -1.945 1.00 0.08 C ATOM 61 C VAL A 123 9.430 1.022 -1.120 1.00 0.05 C ATOM 62 O VAL A 123 8.377 0.442 -1.362 1.00 0.05 O ATOM 63 CB VAL A 123 10.745 1.766 -3.141 1.00 0.13 C ATOM 64 CG1 VAL A 123 12.042 1.130 -2.674 1.00 0.16 C ATOM 65 CG2 VAL A 123 9.967 0.800 -4.017 1.00 0.14 C ATOM 0 HA VAL A 123 8.999 2.735 -2.351 1.00 0.08 H new ATOM 0 HB VAL A 123 11.001 2.648 -3.728 1.00 0.13 H new ATOM 0 HG11 VAL A 123 12.626 0.817 -3.539 1.00 0.16 H new ATOM 0 HG12 VAL A 123 12.614 1.854 -2.093 1.00 0.16 H new ATOM 0 HG13 VAL A 123 11.819 0.262 -2.053 1.00 0.16 H new ATOM 0 HG21 VAL A 123 10.591 0.483 -4.853 1.00 0.14 H new ATOM 0 HG22 VAL A 123 9.677 -0.071 -3.430 1.00 0.14 H new ATOM 0 HG23 VAL A 123 9.073 1.294 -4.398 1.00 0.14 H new ATOM 75 N GLU A 124 10.238 0.681 -0.128 1.00 0.07 N ATOM 76 CA GLU A 124 9.934 -0.392 0.806 1.00 0.08 C ATOM 77 C GLU A 124 8.606 -0.148 1.522 1.00 0.05 C ATOM 78 O GLU A 124 7.836 -1.081 1.749 1.00 0.09 O ATOM 79 CB GLU A 124 11.068 -0.518 1.829 1.00 0.14 C ATOM 80 CG GLU A 124 12.381 -0.981 1.225 1.00 1.00 C ATOM 81 CD GLU A 124 12.284 -2.341 0.566 1.00 1.33 C ATOM 82 OE1 GLU A 124 11.989 -2.401 -0.647 1.00 2.28 O ATOM 83 OE2 GLU A 124 12.529 -3.357 1.252 1.00 1.43 O ATOM 0 H GLU A 124 11.129 1.144 0.053 1.00 0.07 H new ATOM 0 HA GLU A 124 9.843 -1.321 0.243 1.00 0.08 H new ATOM 0 HB2 GLU A 124 11.220 0.447 2.312 1.00 0.14 H new ATOM 0 HB3 GLU A 124 10.768 -1.220 2.607 1.00 0.14 H new ATOM 0 HG2 GLU A 124 12.713 -0.250 0.488 1.00 1.00 H new ATOM 0 HG3 GLU A 124 13.141 -1.015 2.005 1.00 1.00 H new ATOM 90 N LEU A 125 8.333 1.101 1.876 1.00 0.03 N ATOM 91 CA LEU A 125 7.088 1.430 2.562 1.00 0.05 C ATOM 92 C LEU A 125 5.983 1.785 1.563 1.00 0.05 C ATOM 93 O LEU A 125 4.800 1.687 1.878 1.00 0.09 O ATOM 94 CB LEU A 125 7.308 2.565 3.576 1.00 0.07 C ATOM 95 CG LEU A 125 7.494 3.969 2.995 1.00 0.06 C ATOM 96 CD1 LEU A 125 6.153 4.672 2.851 1.00 0.13 C ATOM 97 CD2 LEU A 125 8.431 4.784 3.869 1.00 0.09 C ATOM 0 H LEU A 125 8.948 1.896 1.703 1.00 0.03 H new ATOM 0 HA LEU A 125 6.762 0.547 3.111 1.00 0.05 H new ATOM 0 HB2 LEU A 125 6.456 2.586 4.255 1.00 0.07 H new ATOM 0 HB3 LEU A 125 8.187 2.323 4.174 1.00 0.07 H new ATOM 0 HG LEU A 125 7.939 3.875 2.004 1.00 0.06 H new ATOM 0 HD11 LEU A 125 6.307 5.668 2.436 1.00 0.13 H new ATOM 0 HD12 LEU A 125 5.510 4.097 2.184 1.00 0.13 H new ATOM 0 HD13 LEU A 125 5.679 4.755 3.829 1.00 0.13 H new ATOM 0 HD21 LEU A 125 8.553 5.780 3.442 1.00 0.09 H new ATOM 0 HD22 LEU A 125 8.012 4.868 4.872 1.00 0.09 H new ATOM 0 HD23 LEU A 125 9.401 4.290 3.921 1.00 0.09 H new ATOM 109 N GLU A 126 6.366 2.195 0.361 1.00 0.04 N ATOM 110 CA GLU A 126 5.396 2.528 -0.680 1.00 0.05 C ATOM 111 C GLU A 126 4.813 1.266 -1.275 1.00 0.04 C ATOM 112 O GLU A 126 3.615 1.182 -1.548 1.00 0.05 O ATOM 113 CB GLU A 126 6.060 3.342 -1.781 1.00 0.06 C ATOM 114 CG GLU A 126 6.504 4.710 -1.321 1.00 0.13 C ATOM 115 CD GLU A 126 5.443 5.774 -1.519 1.00 0.47 C ATOM 116 OE1 GLU A 126 4.520 5.863 -0.680 1.00 0.74 O ATOM 117 OE2 GLU A 126 5.515 6.522 -2.512 1.00 0.81 O ATOM 0 H GLU A 126 7.340 2.306 0.080 1.00 0.04 H new ATOM 0 HA GLU A 126 4.598 3.117 -0.228 1.00 0.05 H new ATOM 0 HB2 GLU A 126 6.923 2.794 -2.159 1.00 0.06 H new ATOM 0 HB3 GLU A 126 5.364 3.453 -2.612 1.00 0.06 H new ATOM 0 HG2 GLU A 126 6.771 4.663 -0.265 1.00 0.13 H new ATOM 0 HG3 GLU A 126 7.404 4.996 -1.865 1.00 0.13 H new ATOM 124 N ARG A 127 5.681 0.293 -1.473 1.00 0.03 N ATOM 125 CA ARG A 127 5.284 -0.995 -2.020 1.00 0.04 C ATOM 126 C ARG A 127 4.202 -1.636 -1.152 1.00 0.03 C ATOM 127 O ARG A 127 3.257 -2.233 -1.667 1.00 0.05 O ATOM 128 CB ARG A 127 6.494 -1.932 -2.142 1.00 0.04 C ATOM 129 CG ARG A 127 7.009 -2.456 -0.813 1.00 0.06 C ATOM 130 CD ARG A 127 8.052 -3.541 -1.007 1.00 0.12 C ATOM 131 NE ARG A 127 8.405 -4.189 0.253 1.00 1.21 N ATOM 132 CZ ARG A 127 9.435 -5.017 0.401 1.00 1.61 C ATOM 133 NH1 ARG A 127 10.230 -5.285 -0.628 1.00 1.38 N ATOM 134 NH2 ARG A 127 9.667 -5.581 1.578 1.00 2.65 N ATOM 0 H ARG A 127 6.676 0.369 -1.262 1.00 0.03 H new ATOM 0 HA ARG A 127 4.877 -0.829 -3.017 1.00 0.04 H new ATOM 0 HB2 ARG A 127 6.223 -2.778 -2.773 1.00 0.04 H new ATOM 0 HB3 ARG A 127 7.301 -1.402 -2.649 1.00 0.04 H new ATOM 0 HG2 ARG A 127 7.439 -1.635 -0.240 1.00 0.06 H new ATOM 0 HG3 ARG A 127 6.177 -2.850 -0.230 1.00 0.06 H new ATOM 0 HD2 ARG A 127 7.674 -4.287 -1.705 1.00 0.12 H new ATOM 0 HD3 ARG A 127 8.946 -3.109 -1.456 1.00 0.12 H new ATOM 0 HE ARG A 127 7.826 -3.995 1.070 1.00 1.21 H new ATOM 0 HH11 ARG A 127 10.052 -4.855 -1.536 1.00 1.38 H new ATOM 0 HH12 ARG A 127 11.019 -5.921 -0.511 1.00 1.38 H new ATOM 0 HH21 ARG A 127 9.056 -5.380 2.369 1.00 2.65 H new ATOM 0 HH22 ARG A 127 10.457 -6.216 1.692 1.00 2.65 H new ATOM 148 N GLU A 128 4.331 -1.489 0.166 1.00 0.03 N ATOM 149 CA GLU A 128 3.340 -2.028 1.078 1.00 0.03 C ATOM 150 C GLU A 128 2.090 -1.162 1.072 1.00 0.04 C ATOM 151 O GLU A 128 0.982 -1.685 1.088 1.00 0.07 O ATOM 152 CB GLU A 128 3.894 -2.170 2.496 1.00 0.07 C ATOM 153 CG GLU A 128 4.424 -0.888 3.086 1.00 0.09 C ATOM 154 CD GLU A 128 4.654 -0.986 4.578 1.00 0.24 C ATOM 155 OE1 GLU A 128 5.711 -1.501 4.992 1.00 0.39 O ATOM 156 OE2 GLU A 128 3.770 -0.554 5.345 1.00 0.42 O ATOM 0 H GLU A 128 5.107 -1.005 0.617 1.00 0.03 H new ATOM 0 HA GLU A 128 3.077 -3.027 0.731 1.00 0.03 H new ATOM 0 HB2 GLU A 128 3.107 -2.556 3.144 1.00 0.07 H new ATOM 0 HB3 GLU A 128 4.694 -2.911 2.489 1.00 0.07 H new ATOM 0 HG2 GLU A 128 5.361 -0.626 2.594 1.00 0.09 H new ATOM 0 HG3 GLU A 128 3.720 -0.081 2.883 1.00 0.09 H new ATOM 163 N LEU A 129 2.266 0.161 1.028 1.00 0.03 N ATOM 164 CA LEU A 129 1.132 1.073 0.900 1.00 0.05 C ATOM 165 C LEU A 129 0.271 0.668 -0.286 1.00 0.06 C ATOM 166 O LEU A 129 -0.935 0.464 -0.153 1.00 0.09 O ATOM 167 CB LEU A 129 1.611 2.513 0.715 1.00 0.06 C ATOM 168 CG LEU A 129 2.257 3.154 1.940 1.00 0.09 C ATOM 169 CD1 LEU A 129 2.850 4.497 1.572 1.00 0.11 C ATOM 170 CD2 LEU A 129 1.242 3.309 3.059 1.00 0.14 C ATOM 0 H LEU A 129 3.176 0.619 1.079 1.00 0.03 H new ATOM 0 HA LEU A 129 0.543 1.015 1.815 1.00 0.05 H new ATOM 0 HB2 LEU A 129 2.328 2.536 -0.106 1.00 0.06 H new ATOM 0 HB3 LEU A 129 0.761 3.124 0.413 1.00 0.06 H new ATOM 0 HG LEU A 129 3.057 2.503 2.293 1.00 0.09 H new ATOM 0 HD11 LEU A 129 3.308 4.946 2.453 1.00 0.11 H new ATOM 0 HD12 LEU A 129 3.606 4.361 0.799 1.00 0.11 H new ATOM 0 HD13 LEU A 129 2.063 5.152 1.199 1.00 0.11 H new ATOM 0 HD21 LEU A 129 1.721 3.768 3.924 1.00 0.14 H new ATOM 0 HD22 LEU A 129 0.421 3.942 2.721 1.00 0.14 H new ATOM 0 HD23 LEU A 129 0.854 2.329 3.337 1.00 0.14 H new ATOM 182 N ALA A 130 0.915 0.514 -1.435 1.00 0.07 N ATOM 183 CA ALA A 130 0.239 0.117 -2.661 1.00 0.11 C ATOM 184 C ALA A 130 -0.398 -1.266 -2.529 1.00 0.14 C ATOM 185 O ALA A 130 -1.327 -1.602 -3.260 1.00 0.19 O ATOM 186 CB ALA A 130 1.219 0.128 -3.821 1.00 0.13 C ATOM 0 H ALA A 130 1.919 0.661 -1.543 1.00 0.07 H new ATOM 0 HA ALA A 130 -0.558 0.836 -2.851 1.00 0.11 H new ATOM 0 HB1 ALA A 130 0.705 -0.170 -4.735 1.00 0.13 H new ATOM 0 HB2 ALA A 130 1.625 1.132 -3.945 1.00 0.13 H new ATOM 0 HB3 ALA A 130 2.031 -0.570 -3.618 1.00 0.13 H new ATOM 192 N GLU A 131 0.101 -2.056 -1.590 1.00 0.14 N ATOM 193 CA GLU A 131 -0.392 -3.405 -1.367 1.00 0.18 C ATOM 194 C GLU A 131 -1.731 -3.356 -0.624 1.00 0.22 C ATOM 195 O GLU A 131 -2.692 -4.026 -1.011 1.00 0.26 O ATOM 196 CB GLU A 131 0.681 -4.203 -0.603 1.00 0.17 C ATOM 197 CG GLU A 131 0.217 -4.865 0.685 1.00 0.23 C ATOM 198 CD GLU A 131 -0.479 -6.192 0.456 1.00 0.35 C ATOM 199 OE1 GLU A 131 0.172 -7.126 -0.057 1.00 0.55 O ATOM 200 OE2 GLU A 131 -1.670 -6.312 0.804 1.00 0.56 O ATOM 0 H GLU A 131 0.857 -1.780 -0.963 1.00 0.14 H new ATOM 0 HA GLU A 131 -0.577 -3.911 -2.314 1.00 0.18 H new ATOM 0 HB2 GLU A 131 1.074 -4.974 -1.265 1.00 0.17 H new ATOM 0 HB3 GLU A 131 1.508 -3.533 -0.368 1.00 0.17 H new ATOM 0 HG2 GLU A 131 1.077 -5.021 1.336 1.00 0.23 H new ATOM 0 HG3 GLU A 131 -0.462 -4.191 1.208 1.00 0.23 H new ATOM 207 N LEU A 132 -1.803 -2.530 0.418 1.00 0.21 N ATOM 208 CA LEU A 132 -3.049 -2.342 1.155 1.00 0.25 C ATOM 209 C LEU A 132 -4.055 -1.626 0.272 1.00 0.29 C ATOM 210 O LEU A 132 -5.251 -1.923 0.286 1.00 0.35 O ATOM 211 CB LEU A 132 -2.827 -1.526 2.425 1.00 0.25 C ATOM 212 CG LEU A 132 -1.637 -1.955 3.268 1.00 0.23 C ATOM 213 CD1 LEU A 132 -0.648 -0.817 3.333 1.00 0.19 C ATOM 214 CD2 LEU A 132 -2.079 -2.371 4.661 1.00 0.32 C ATOM 0 H LEU A 132 -1.017 -1.983 0.769 1.00 0.21 H new ATOM 0 HA LEU A 132 -3.426 -3.325 1.440 1.00 0.25 H new ATOM 0 HB2 LEU A 132 -2.698 -0.480 2.148 1.00 0.25 H new ATOM 0 HB3 LEU A 132 -3.727 -1.585 3.038 1.00 0.25 H new ATOM 0 HG LEU A 132 -1.162 -2.821 2.808 1.00 0.23 H new ATOM 0 HD11 LEU A 132 0.210 -1.115 3.936 1.00 0.19 H new ATOM 0 HD12 LEU A 132 -0.315 -0.567 2.326 1.00 0.19 H new ATOM 0 HD13 LEU A 132 -1.124 0.053 3.784 1.00 0.19 H new ATOM 0 HD21 LEU A 132 -1.209 -2.673 5.244 1.00 0.32 H new ATOM 0 HD22 LEU A 132 -2.571 -1.532 5.152 1.00 0.32 H new ATOM 0 HD23 LEU A 132 -2.775 -3.207 4.588 1.00 0.32 H new ATOM 226 N ARG A 133 -3.547 -0.675 -0.498 1.00 0.28 N ATOM 227 CA ARG A 133 -4.350 0.059 -1.456 1.00 0.34 C ATOM 228 C ARG A 133 -4.923 -0.881 -2.510 1.00 0.40 C ATOM 229 O ARG A 133 -6.050 -0.706 -2.965 1.00 0.47 O ATOM 230 CB ARG A 133 -3.503 1.142 -2.121 1.00 0.31 C ATOM 231 CG ARG A 133 -3.043 2.235 -1.173 1.00 0.29 C ATOM 232 CD ARG A 133 -2.458 3.417 -1.934 1.00 1.03 C ATOM 233 NE ARG A 133 -1.831 4.403 -1.052 1.00 1.74 N ATOM 234 CZ ARG A 133 -2.438 5.509 -0.613 1.00 2.61 C ATOM 235 NH1 ARG A 133 -3.710 5.738 -0.914 1.00 3.04 N ATOM 236 NH2 ARG A 133 -1.773 6.383 0.133 1.00 3.48 N ATOM 0 H ARG A 133 -2.567 -0.393 -0.474 1.00 0.28 H new ATOM 0 HA ARG A 133 -5.180 0.528 -0.928 1.00 0.34 H new ATOM 0 HB2 ARG A 133 -2.628 0.677 -2.575 1.00 0.31 H new ATOM 0 HB3 ARG A 133 -4.079 1.594 -2.929 1.00 0.31 H new ATOM 0 HG2 ARG A 133 -3.884 2.571 -0.566 1.00 0.29 H new ATOM 0 HG3 ARG A 133 -2.295 1.835 -0.488 1.00 0.29 H new ATOM 0 HD2 ARG A 133 -1.720 3.054 -2.649 1.00 1.03 H new ATOM 0 HD3 ARG A 133 -3.248 3.900 -2.509 1.00 1.03 H new ATOM 0 HE ARG A 133 -0.870 4.235 -0.754 1.00 1.74 H new ATOM 0 HH11 ARG A 133 -4.228 5.068 -1.483 1.00 3.04 H new ATOM 0 HH12 ARG A 133 -4.170 6.584 -0.577 1.00 3.04 H new ATOM 0 HH21 ARG A 133 -0.796 6.211 0.372 1.00 3.48 H new ATOM 0 HH22 ARG A 133 -2.239 7.227 0.467 1.00 3.48 H new