USER MOD reduce.3.24.130724 H: found=0, std=0, add=230, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 231 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 Single : A 128 GLN : amide:sc= -0.277 X(o=-0.28,f=-0.035) USER MOD Single : A 130 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 140 CYS SG : rot 180:sc= 0 USER MOD Single : A 142 THR OG1 : rot 71:sc= 0.134 USER MOD Single : A 143 SER OG : rot -105:sc= 0.864 USER MOD Single : A 144 THR OG1 : rot 180:sc= 0 USER MOD Single : A 149 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 125 2.242 -12.130 -10.166 1.00 0.00 N ATOM 2 CA LEU A 125 1.305 -13.157 -9.727 1.00 0.00 C ATOM 3 C LEU A 125 1.953 -14.058 -8.679 1.00 0.00 C ATOM 4 O LEU A 125 1.404 -14.262 -7.596 1.00 0.00 O ATOM 5 CB LEU A 125 0.859 -14.005 -10.924 1.00 0.00 C ATOM 6 CG LEU A 125 -0.541 -13.578 -11.380 1.00 0.00 C ATOM 7 CD1 LEU A 125 -1.578 -13.952 -10.316 1.00 0.00 C ATOM 8 CD2 LEU A 125 -0.566 -12.064 -11.606 1.00 0.00 C ATOM 0 HA LEU A 125 0.438 -12.667 -9.285 1.00 0.00 H new ATOM 0 HB2 LEU A 125 1.568 -13.891 -11.744 1.00 0.00 H new ATOM 0 HB3 LEU A 125 0.855 -15.060 -10.651 1.00 0.00 H new ATOM 0 HG LEU A 125 -0.783 -14.092 -12.310 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -2.569 -13.644 -10.650 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -1.566 -15.031 -10.160 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -1.337 -13.447 -9.380 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -1.562 -11.761 -11.930 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -0.316 -11.553 -10.676 1.00 0.00 H new ATOM 0 HD23 LEU A 125 0.162 -11.799 -12.373 1.00 0.00 H new ATOM 20 N PHE A 126 3.124 -14.593 -9.009 1.00 0.00 N ATOM 21 CA PHE A 126 3.837 -15.471 -8.088 1.00 0.00 C ATOM 22 C PHE A 126 2.968 -16.663 -7.702 1.00 0.00 C ATOM 23 O PHE A 126 2.575 -16.811 -6.545 1.00 0.00 O ATOM 24 CB PHE A 126 4.233 -14.696 -6.830 1.00 0.00 C ATOM 25 CG PHE A 126 4.936 -13.419 -7.224 1.00 0.00 C ATOM 26 CD1 PHE A 126 6.247 -13.463 -7.711 1.00 0.00 C ATOM 27 CD2 PHE A 126 4.276 -12.190 -7.101 1.00 0.00 C ATOM 28 CE1 PHE A 126 6.899 -12.279 -8.077 1.00 0.00 C ATOM 29 CE2 PHE A 126 4.928 -11.006 -7.466 1.00 0.00 C ATOM 30 CZ PHE A 126 6.239 -11.051 -7.955 1.00 0.00 C ATOM 0 H PHE A 126 3.596 -14.436 -9.899 1.00 0.00 H new ATOM 0 HA PHE A 126 4.734 -15.838 -8.586 1.00 0.00 H new ATOM 0 HB2 PHE A 126 3.347 -14.468 -6.237 1.00 0.00 H new ATOM 0 HB3 PHE A 126 4.886 -15.305 -6.206 1.00 0.00 H new ATOM 0 HD1 PHE A 126 6.756 -14.411 -7.805 1.00 0.00 H new ATOM 0 HD2 PHE A 126 3.264 -12.156 -6.725 1.00 0.00 H new ATOM 0 HE1 PHE A 126 7.911 -12.314 -8.453 1.00 0.00 H new ATOM 0 HE2 PHE A 126 4.420 -10.058 -7.370 1.00 0.00 H new ATOM 0 HZ PHE A 126 6.741 -10.138 -8.238 1.00 0.00 H new ATOM 40 N PRO A 127 2.666 -17.509 -8.649 1.00 0.00 N ATOM 41 CA PRO A 127 1.826 -18.718 -8.415 1.00 0.00 C ATOM 42 C PRO A 127 2.252 -19.482 -7.163 1.00 0.00 C ATOM 43 O PRO A 127 3.389 -19.362 -6.709 1.00 0.00 O ATOM 44 CB PRO A 127 2.046 -19.560 -9.672 1.00 0.00 C ATOM 45 CG PRO A 127 2.413 -18.586 -10.743 1.00 0.00 C ATOM 46 CD PRO A 127 3.097 -17.404 -10.053 1.00 0.00 C ATOM 0 HA PRO A 127 0.780 -18.464 -8.246 1.00 0.00 H new ATOM 0 HB2 PRO A 127 2.838 -20.293 -9.520 1.00 0.00 H new ATOM 0 HB3 PRO A 127 1.145 -20.114 -9.937 1.00 0.00 H new ATOM 0 HG2 PRO A 127 3.080 -19.047 -11.472 1.00 0.00 H new ATOM 0 HG3 PRO A 127 1.527 -18.256 -11.286 1.00 0.00 H new ATOM 0 HD2 PRO A 127 4.182 -17.464 -10.142 1.00 0.00 H new ATOM 0 HD3 PRO A 127 2.792 -16.455 -10.494 1.00 0.00 H new ATOM 54 N GLN A 128 1.330 -20.265 -6.612 1.00 0.00 N ATOM 55 CA GLN A 128 1.619 -21.044 -5.414 1.00 0.00 C ATOM 56 C GLN A 128 2.279 -22.370 -5.777 1.00 0.00 C ATOM 57 O GLN A 128 2.922 -23.004 -4.940 1.00 0.00 O ATOM 58 CB GLN A 128 0.327 -21.311 -4.640 1.00 0.00 C ATOM 59 CG GLN A 128 -0.663 -22.054 -5.538 1.00 0.00 C ATOM 60 CD GLN A 128 -1.969 -21.274 -5.632 1.00 0.00 C ATOM 61 OE1 GLN A 128 -3.045 -21.836 -5.427 1.00 0.00 O ATOM 62 NE2 GLN A 128 -1.939 -20.004 -5.929 1.00 0.00 N ATOM 0 H GLN A 128 0.383 -20.376 -6.973 1.00 0.00 H new ATOM 0 HA GLN A 128 2.305 -20.471 -4.791 1.00 0.00 H new ATOM 0 HB2 GLN A 128 0.540 -21.902 -3.749 1.00 0.00 H new ATOM 0 HB3 GLN A 128 -0.108 -20.370 -4.302 1.00 0.00 H new ATOM 0 HG2 GLN A 128 -0.236 -22.186 -6.532 1.00 0.00 H new ATOM 0 HG3 GLN A 128 -0.853 -23.050 -5.138 1.00 0.00 H new ATOM 0 HE21 GLN A 128 -1.046 -19.541 -6.098 1.00 0.00 H new ATOM 0 HE22 GLN A 128 -2.808 -19.474 -5.992 1.00 0.00 H new ATOM 71 N ILE A 129 2.115 -22.786 -7.030 1.00 0.00 N ATOM 72 CA ILE A 129 2.698 -24.040 -7.490 1.00 0.00 C ATOM 73 C ILE A 129 4.222 -24.001 -7.343 1.00 0.00 C ATOM 74 O ILE A 129 4.743 -23.408 -6.400 1.00 0.00 O ATOM 75 CB ILE A 129 2.296 -24.290 -8.952 1.00 0.00 C ATOM 76 CG1 ILE A 129 2.568 -25.753 -9.326 1.00 0.00 C ATOM 77 CG2 ILE A 129 3.088 -23.368 -9.884 1.00 0.00 C ATOM 78 CD1 ILE A 129 1.239 -26.492 -9.486 1.00 0.00 C ATOM 0 H ILE A 129 1.587 -22.277 -7.739 1.00 0.00 H new ATOM 0 HA ILE A 129 2.320 -24.859 -6.878 1.00 0.00 H new ATOM 0 HB ILE A 129 1.232 -24.080 -9.062 1.00 0.00 H new ATOM 0 HG12 ILE A 129 3.138 -25.803 -10.254 1.00 0.00 H new ATOM 0 HG13 ILE A 129 3.172 -26.231 -8.555 1.00 0.00 H new ATOM 0 HG21 ILE A 129 2.794 -23.555 -10.917 1.00 0.00 H new ATOM 0 HG22 ILE A 129 2.880 -22.329 -9.630 1.00 0.00 H new ATOM 0 HG23 ILE A 129 4.154 -23.563 -9.769 1.00 0.00 H new ATOM 0 HD11 ILE A 129 1.430 -27.532 -9.752 1.00 0.00 H new ATOM 0 HD12 ILE A 129 0.686 -26.453 -8.548 1.00 0.00 H new ATOM 0 HD13 ILE A 129 0.652 -26.019 -10.273 1.00 0.00 H new ATOM 90 N ASN A 130 4.932 -24.633 -8.273 1.00 0.00 N ATOM 91 CA ASN A 130 6.389 -24.655 -8.220 1.00 0.00 C ATOM 92 C ASN A 130 6.956 -23.264 -8.491 1.00 0.00 C ATOM 93 O ASN A 130 8.054 -22.934 -8.044 1.00 0.00 O ATOM 94 CB ASN A 130 6.937 -25.643 -9.251 1.00 0.00 C ATOM 95 CG ASN A 130 8.209 -26.296 -8.720 1.00 0.00 C ATOM 96 OD1 ASN A 130 8.145 -27.152 -7.837 1.00 0.00 O ATOM 97 ND2 ASN A 130 9.366 -25.935 -9.201 1.00 0.00 N ATOM 0 H ASN A 130 4.527 -25.132 -9.065 1.00 0.00 H new ATOM 0 HA ASN A 130 6.692 -24.970 -7.222 1.00 0.00 H new ATOM 0 HB2 ASN A 130 6.190 -26.406 -9.469 1.00 0.00 H new ATOM 0 HB3 ASN A 130 7.147 -25.126 -10.187 1.00 0.00 H new ATOM 0 HD21 ASN A 130 10.222 -26.362 -8.846 1.00 0.00 H new ATOM 0 HD22 ASN A 130 9.415 -25.226 -9.932 1.00 0.00 H new ATOM 104 N PHE A 131 6.199 -22.456 -9.224 1.00 0.00 N ATOM 105 CA PHE A 131 6.636 -21.102 -9.548 1.00 0.00 C ATOM 106 C PHE A 131 6.836 -20.286 -8.276 1.00 0.00 C ATOM 107 O PHE A 131 7.531 -19.270 -8.280 1.00 0.00 O ATOM 108 CB PHE A 131 5.598 -20.417 -10.439 1.00 0.00 C ATOM 109 CG PHE A 131 6.282 -19.828 -11.649 1.00 0.00 C ATOM 110 CD1 PHE A 131 7.071 -18.678 -11.516 1.00 0.00 C ATOM 111 CD2 PHE A 131 6.128 -20.429 -12.903 1.00 0.00 C ATOM 112 CE1 PHE A 131 7.707 -18.132 -12.638 1.00 0.00 C ATOM 113 CE2 PHE A 131 6.763 -19.882 -14.025 1.00 0.00 C ATOM 114 CZ PHE A 131 7.552 -18.734 -13.892 1.00 0.00 C ATOM 0 H PHE A 131 5.287 -22.711 -9.603 1.00 0.00 H new ATOM 0 HA PHE A 131 7.586 -21.164 -10.080 1.00 0.00 H new ATOM 0 HB2 PHE A 131 4.840 -21.136 -10.751 1.00 0.00 H new ATOM 0 HB3 PHE A 131 5.085 -19.634 -9.881 1.00 0.00 H new ATOM 0 HD1 PHE A 131 7.189 -18.213 -10.549 1.00 0.00 H new ATOM 0 HD2 PHE A 131 5.519 -21.315 -13.006 1.00 0.00 H new ATOM 0 HE1 PHE A 131 8.317 -17.247 -12.536 1.00 0.00 H new ATOM 0 HE2 PHE A 131 6.644 -20.346 -14.993 1.00 0.00 H new ATOM 0 HZ PHE A 131 8.042 -18.312 -14.757 1.00 0.00 H new ATOM 124 N LEU A 132 6.223 -20.740 -7.187 1.00 0.00 N ATOM 125 CA LEU A 132 6.338 -20.046 -5.910 1.00 0.00 C ATOM 126 C LEU A 132 7.794 -20.020 -5.452 1.00 0.00 C ATOM 127 O LEU A 132 8.175 -19.209 -4.608 1.00 0.00 O ATOM 128 CB LEU A 132 5.399 -20.710 -4.872 1.00 0.00 C ATOM 129 CG LEU A 132 6.124 -21.683 -3.908 1.00 0.00 C ATOM 130 CD1 LEU A 132 7.004 -22.678 -4.673 1.00 0.00 C ATOM 131 CD2 LEU A 132 6.975 -20.918 -2.881 1.00 0.00 C ATOM 0 H LEU A 132 5.645 -21.580 -7.163 1.00 0.00 H new ATOM 0 HA LEU A 132 6.024 -19.008 -6.020 1.00 0.00 H new ATOM 0 HB2 LEU A 132 4.910 -19.931 -4.287 1.00 0.00 H new ATOM 0 HB3 LEU A 132 4.615 -21.253 -5.400 1.00 0.00 H new ATOM 0 HG LEU A 132 5.352 -22.240 -3.378 1.00 0.00 H new ATOM 0 HD11 LEU A 132 7.498 -23.345 -3.966 1.00 0.00 H new ATOM 0 HD12 LEU A 132 6.385 -23.263 -5.353 1.00 0.00 H new ATOM 0 HD13 LEU A 132 7.756 -22.134 -5.244 1.00 0.00 H new ATOM 0 HD21 LEU A 132 7.471 -21.628 -2.219 1.00 0.00 H new ATOM 0 HD22 LEU A 132 7.725 -20.322 -3.401 1.00 0.00 H new ATOM 0 HD23 LEU A 132 6.333 -20.261 -2.294 1.00 0.00 H new ATOM 143 N GLY A 133 8.607 -20.905 -6.022 1.00 0.00 N ATOM 144 CA GLY A 133 10.022 -20.973 -5.669 1.00 0.00 C ATOM 145 C GLY A 133 10.608 -19.577 -5.485 1.00 0.00 C ATOM 146 O GLY A 133 11.559 -19.388 -4.727 1.00 0.00 O ATOM 0 H GLY A 133 8.313 -21.581 -6.726 1.00 0.00 H new ATOM 0 HA2 GLY A 133 10.144 -21.546 -4.750 1.00 0.00 H new ATOM 0 HA3 GLY A 133 10.570 -21.501 -6.449 1.00 0.00 H new ATOM 150 N SER A 134 10.033 -18.601 -6.182 1.00 0.00 N ATOM 151 CA SER A 134 10.508 -17.226 -6.085 1.00 0.00 C ATOM 152 C SER A 134 10.236 -16.666 -4.692 1.00 0.00 C ATOM 153 O SER A 134 11.102 -16.032 -4.088 1.00 0.00 O ATOM 154 CB SER A 134 9.810 -16.358 -7.131 1.00 0.00 C ATOM 155 OG SER A 134 10.644 -15.255 -7.457 1.00 0.00 O ATOM 0 H SER A 134 9.244 -18.735 -6.815 1.00 0.00 H new ATOM 0 HA SER A 134 11.583 -17.217 -6.266 1.00 0.00 H new ATOM 0 HB2 SER A 134 9.598 -16.945 -8.025 1.00 0.00 H new ATOM 0 HB3 SER A 134 8.853 -16.004 -6.747 1.00 0.00 H new ATOM 0 HG SER A 134 10.200 -14.697 -8.129 1.00 0.00 H new ATOM 161 N LEU A 135 9.029 -16.904 -4.190 1.00 0.00 N ATOM 162 CA LEU A 135 8.652 -16.420 -2.867 1.00 0.00 C ATOM 163 C LEU A 135 9.473 -17.116 -1.786 1.00 0.00 C ATOM 164 O LEU A 135 9.585 -16.624 -0.664 1.00 0.00 O ATOM 165 CB LEU A 135 7.163 -16.674 -2.622 1.00 0.00 C ATOM 166 CG LEU A 135 6.426 -15.338 -2.517 1.00 0.00 C ATOM 167 CD1 LEU A 135 4.919 -15.591 -2.442 1.00 0.00 C ATOM 168 CD2 LEU A 135 6.882 -14.602 -1.255 1.00 0.00 C ATOM 0 H LEU A 135 8.299 -17.426 -4.675 1.00 0.00 H new ATOM 0 HA LEU A 135 8.850 -15.349 -2.824 1.00 0.00 H new ATOM 0 HB2 LEU A 135 6.746 -17.268 -3.435 1.00 0.00 H new ATOM 0 HB3 LEU A 135 7.028 -17.249 -1.706 1.00 0.00 H new ATOM 0 HG LEU A 135 6.649 -14.730 -3.394 1.00 0.00 H new ATOM 0 HD11 LEU A 135 4.394 -14.639 -2.367 1.00 0.00 H new ATOM 0 HD12 LEU A 135 4.593 -16.116 -3.340 1.00 0.00 H new ATOM 0 HD13 LEU A 135 4.695 -16.199 -1.565 1.00 0.00 H new ATOM 0 HD21 LEU A 135 6.357 -13.650 -1.180 1.00 0.00 H new ATOM 0 HD22 LEU A 135 6.658 -15.210 -0.378 1.00 0.00 H new ATOM 0 HD23 LEU A 135 7.956 -14.421 -1.307 1.00 0.00 H new ATOM 180 N LEU A 136 10.046 -18.264 -2.132 1.00 0.00 N ATOM 181 CA LEU A 136 10.855 -19.021 -1.183 1.00 0.00 C ATOM 182 C LEU A 136 12.087 -18.221 -0.772 1.00 0.00 C ATOM 183 O LEU A 136 12.699 -18.493 0.259 1.00 0.00 O ATOM 184 CB LEU A 136 11.290 -20.347 -1.808 1.00 0.00 C ATOM 185 CG LEU A 136 11.637 -21.343 -0.700 1.00 0.00 C ATOM 186 CD1 LEU A 136 10.402 -22.178 -0.359 1.00 0.00 C ATOM 187 CD2 LEU A 136 12.759 -22.267 -1.180 1.00 0.00 C ATOM 0 H LEU A 136 9.966 -18.689 -3.056 1.00 0.00 H new ATOM 0 HA LEU A 136 10.252 -19.219 -0.297 1.00 0.00 H new ATOM 0 HB2 LEU A 136 10.491 -20.746 -2.433 1.00 0.00 H new ATOM 0 HB3 LEU A 136 12.153 -20.191 -2.455 1.00 0.00 H new ATOM 0 HG LEU A 136 11.965 -20.801 0.187 1.00 0.00 H new ATOM 0 HD11 LEU A 136 10.649 -22.888 0.430 1.00 0.00 H new ATOM 0 HD12 LEU A 136 9.601 -21.521 -0.019 1.00 0.00 H new ATOM 0 HD13 LEU A 136 10.074 -22.721 -1.245 1.00 0.00 H new ATOM 0 HD21 LEU A 136 13.008 -22.977 -0.392 1.00 0.00 H new ATOM 0 HD22 LEU A 136 12.430 -22.809 -2.066 1.00 0.00 H new ATOM 0 HD23 LEU A 136 13.640 -21.673 -1.424 1.00 0.00 H new ATOM 199 N ILE A 137 12.443 -17.233 -1.587 1.00 0.00 N ATOM 200 CA ILE A 137 13.605 -16.401 -1.297 1.00 0.00 C ATOM 201 C ILE A 137 13.356 -15.552 -0.054 1.00 0.00 C ATOM 202 O ILE A 137 14.296 -15.083 0.587 1.00 0.00 O ATOM 203 CB ILE A 137 13.902 -15.488 -2.488 1.00 0.00 C ATOM 204 CG1 ILE A 137 15.241 -14.780 -2.264 1.00 0.00 C ATOM 205 CG2 ILE A 137 12.792 -14.445 -2.624 1.00 0.00 C ATOM 206 CD1 ILE A 137 15.598 -13.959 -3.504 1.00 0.00 C ATOM 0 H ILE A 137 11.949 -16.991 -2.446 1.00 0.00 H new ATOM 0 HA ILE A 137 14.460 -17.052 -1.115 1.00 0.00 H new ATOM 0 HB ILE A 137 13.952 -16.085 -3.399 1.00 0.00 H new ATOM 0 HG12 ILE A 137 15.180 -14.131 -1.390 1.00 0.00 H new ATOM 0 HG13 ILE A 137 16.023 -15.513 -2.062 1.00 0.00 H new ATOM 0 HG21 ILE A 137 13.005 -13.795 -3.473 1.00 0.00 H new ATOM 0 HG22 ILE A 137 11.838 -14.948 -2.782 1.00 0.00 H new ATOM 0 HG23 ILE A 137 12.741 -13.847 -1.714 1.00 0.00 H new ATOM 0 HD11 ILE A 137 16.551 -13.455 -3.345 1.00 0.00 H new ATOM 0 HD12 ILE A 137 15.677 -14.620 -4.367 1.00 0.00 H new ATOM 0 HD13 ILE A 137 14.821 -13.217 -3.685 1.00 0.00 H new ATOM 218 N ALA A 138 12.084 -15.361 0.282 1.00 0.00 N ATOM 219 CA ALA A 138 11.723 -14.570 1.452 1.00 0.00 C ATOM 220 C ALA A 138 12.386 -15.133 2.705 1.00 0.00 C ATOM 221 O ALA A 138 12.587 -14.417 3.687 1.00 0.00 O ATOM 222 CB ALA A 138 10.204 -14.569 1.633 1.00 0.00 C ATOM 0 H ALA A 138 11.291 -15.740 -0.236 1.00 0.00 H new ATOM 0 HA ALA A 138 12.071 -13.549 1.298 1.00 0.00 H new ATOM 0 HB1 ALA A 138 9.942 -13.976 2.509 1.00 0.00 H new ATOM 0 HB2 ALA A 138 9.733 -14.139 0.750 1.00 0.00 H new ATOM 0 HB3 ALA A 138 9.853 -15.592 1.769 1.00 0.00 H new ATOM 228 N GLY A 139 12.725 -16.417 2.663 1.00 0.00 N ATOM 229 CA GLY A 139 13.365 -17.067 3.800 1.00 0.00 C ATOM 230 C GLY A 139 14.409 -16.153 4.432 1.00 0.00 C ATOM 231 O GLY A 139 14.661 -16.220 5.635 1.00 0.00 O ATOM 0 H GLY A 139 12.568 -17.025 1.859 1.00 0.00 H new ATOM 0 HA2 GLY A 139 12.613 -17.334 4.542 1.00 0.00 H new ATOM 0 HA3 GLY A 139 13.836 -17.995 3.476 1.00 0.00 H new ATOM 235 N CYS A 140 15.016 -15.301 3.612 1.00 0.00 N ATOM 236 CA CYS A 140 16.032 -14.376 4.103 1.00 0.00 C ATOM 237 C CYS A 140 15.418 -13.368 5.068 1.00 0.00 C ATOM 238 O CYS A 140 15.854 -13.244 6.212 1.00 0.00 O ATOM 239 CB CYS A 140 16.675 -13.637 2.929 1.00 0.00 C ATOM 240 SG CYS A 140 17.704 -14.785 1.982 1.00 0.00 S ATOM 0 H CYS A 140 14.824 -15.232 2.613 1.00 0.00 H new ATOM 0 HA CYS A 140 16.794 -14.949 4.632 1.00 0.00 H new ATOM 0 HB2 CYS A 140 15.904 -13.210 2.288 1.00 0.00 H new ATOM 0 HB3 CYS A 140 17.280 -12.808 3.295 1.00 0.00 H new ATOM 0 HG CYS A 140 18.249 -14.157 0.983 1.00 0.00 H new ATOM 246 N ILE A 141 14.402 -12.651 4.598 1.00 0.00 N ATOM 247 CA ILE A 141 13.733 -11.657 5.429 1.00 0.00 C ATOM 248 C ILE A 141 13.048 -12.327 6.616 1.00 0.00 C ATOM 249 O ILE A 141 12.908 -11.730 7.684 1.00 0.00 O ATOM 250 CB ILE A 141 12.699 -10.892 4.596 1.00 0.00 C ATOM 251 CG1 ILE A 141 13.397 -9.755 3.836 1.00 0.00 C ATOM 252 CG2 ILE A 141 11.615 -10.315 5.512 1.00 0.00 C ATOM 253 CD1 ILE A 141 13.452 -8.494 4.705 1.00 0.00 C ATOM 0 H ILE A 141 14.026 -12.739 3.654 1.00 0.00 H new ATOM 0 HA ILE A 141 14.480 -10.959 5.806 1.00 0.00 H new ATOM 0 HB ILE A 141 12.234 -11.573 3.883 1.00 0.00 H new ATOM 0 HG12 ILE A 141 14.406 -10.059 3.559 1.00 0.00 H new ATOM 0 HG13 ILE A 141 12.862 -9.544 2.910 1.00 0.00 H new ATOM 0 HG21 ILE A 141 10.883 -9.773 4.913 1.00 0.00 H new ATOM 0 HG22 ILE A 141 11.118 -11.126 6.044 1.00 0.00 H new ATOM 0 HG23 ILE A 141 12.071 -9.635 6.232 1.00 0.00 H new ATOM 0 HD11 ILE A 141 13.949 -7.695 4.155 1.00 0.00 H new ATOM 0 HD12 ILE A 141 12.439 -8.183 4.960 1.00 0.00 H new ATOM 0 HD13 ILE A 141 14.007 -8.706 5.619 1.00 0.00 H new ATOM 265 N THR A 142 12.624 -13.571 6.420 1.00 0.00 N ATOM 266 CA THR A 142 11.953 -14.314 7.481 1.00 0.00 C ATOM 267 C THR A 142 12.876 -14.482 8.684 1.00 0.00 C ATOM 268 O THR A 142 12.419 -14.738 9.798 1.00 0.00 O ATOM 269 CB THR A 142 11.528 -15.692 6.966 1.00 0.00 C ATOM 270 OG1 THR A 142 10.616 -15.531 5.888 1.00 0.00 O ATOM 271 CG2 THR A 142 10.856 -16.476 8.093 1.00 0.00 C ATOM 0 H THR A 142 12.732 -14.083 5.544 1.00 0.00 H new ATOM 0 HA THR A 142 11.071 -13.753 7.789 1.00 0.00 H new ATOM 0 HB THR A 142 12.406 -16.238 6.622 1.00 0.00 H new ATOM 0 HG1 THR A 142 11.095 -15.195 5.102 1.00 0.00 H new ATOM 0 HG21 THR A 142 10.554 -17.456 7.724 1.00 0.00 H new ATOM 0 HG22 THR A 142 11.557 -16.599 8.919 1.00 0.00 H new ATOM 0 HG23 THR A 142 9.977 -15.933 8.440 1.00 0.00 H new ATOM 279 N SER A 143 14.176 -14.337 8.451 1.00 0.00 N ATOM 280 CA SER A 143 15.154 -14.475 9.523 1.00 0.00 C ATOM 281 C SER A 143 14.659 -13.789 10.792 1.00 0.00 C ATOM 282 O SER A 143 13.803 -12.905 10.737 1.00 0.00 O ATOM 283 CB SER A 143 16.487 -13.860 9.096 1.00 0.00 C ATOM 284 OG SER A 143 16.247 -12.608 8.469 1.00 0.00 O ATOM 0 H SER A 143 14.575 -14.125 7.536 1.00 0.00 H new ATOM 0 HA SER A 143 15.293 -15.537 9.728 1.00 0.00 H new ATOM 0 HB2 SER A 143 17.134 -13.727 9.963 1.00 0.00 H new ATOM 0 HB3 SER A 143 17.006 -14.529 8.410 1.00 0.00 H new ATOM 0 HG SER A 143 16.371 -12.698 7.501 1.00 0.00 H new ATOM 290 N THR A 144 15.202 -14.201 11.932 1.00 0.00 N ATOM 291 CA THR A 144 14.808 -13.617 13.210 1.00 0.00 C ATOM 292 C THR A 144 14.767 -12.096 13.114 1.00 0.00 C ATOM 293 O THR A 144 15.799 -11.446 12.951 1.00 0.00 O ATOM 294 CB THR A 144 15.794 -14.037 14.302 1.00 0.00 C ATOM 295 OG1 THR A 144 15.864 -13.018 15.290 1.00 0.00 O ATOM 296 CG2 THR A 144 17.177 -14.252 13.688 1.00 0.00 C ATOM 0 H THR A 144 15.911 -14.931 11.999 1.00 0.00 H new ATOM 0 HA THR A 144 13.812 -13.980 13.463 1.00 0.00 H new ATOM 0 HB THR A 144 15.456 -14.966 14.761 1.00 0.00 H new ATOM 0 HG1 THR A 144 16.494 -13.285 15.992 1.00 0.00 H new ATOM 0 HG21 THR A 144 17.878 -14.551 14.467 1.00 0.00 H new ATOM 0 HG22 THR A 144 17.121 -15.034 12.930 1.00 0.00 H new ATOM 0 HG23 THR A 144 17.519 -13.325 13.228 1.00 0.00 H new ATOM 304 N ASP A 145 13.566 -11.534 13.218 1.00 0.00 N ATOM 305 CA ASP A 145 13.399 -10.087 13.144 1.00 0.00 C ATOM 306 C ASP A 145 11.924 -9.696 13.259 1.00 0.00 C ATOM 307 O ASP A 145 11.573 -8.829 14.059 1.00 0.00 O ATOM 308 CB ASP A 145 13.976 -9.546 11.831 1.00 0.00 C ATOM 309 CG ASP A 145 15.139 -8.604 12.123 1.00 0.00 C ATOM 310 OD1 ASP A 145 16.167 -9.083 12.572 1.00 0.00 O ATOM 311 OD2 ASP A 145 14.985 -7.416 11.890 1.00 0.00 O1- ATOM 0 H ASP A 145 12.700 -12.055 13.353 1.00 0.00 H new ATOM 0 HA ASP A 145 13.941 -9.647 13.981 1.00 0.00 H new ATOM 0 HB2 ASP A 145 14.314 -10.372 11.205 1.00 0.00 H new ATOM 0 HB3 ASP A 145 13.202 -9.019 11.273 1.00 0.00 H new ATOM 316 N PRO A 146 11.057 -10.307 12.484 1.00 0.00 N ATOM 317 CA PRO A 146 9.603 -9.997 12.520 1.00 0.00 C ATOM 318 C PRO A 146 8.881 -10.743 13.640 1.00 0.00 C ATOM 319 O PRO A 146 9.479 -11.554 14.345 1.00 0.00 O ATOM 320 CB PRO A 146 9.114 -10.458 11.150 1.00 0.00 C ATOM 321 CG PRO A 146 10.028 -11.572 10.755 1.00 0.00 C ATOM 322 CD PRO A 146 11.356 -11.357 11.493 1.00 0.00 C ATOM 0 HA PRO A 146 9.408 -8.943 12.719 1.00 0.00 H new ATOM 0 HB2 PRO A 146 8.079 -10.797 11.196 1.00 0.00 H new ATOM 0 HB3 PRO A 146 9.151 -9.644 10.426 1.00 0.00 H new ATOM 0 HG2 PRO A 146 9.594 -12.537 11.018 1.00 0.00 H new ATOM 0 HG3 PRO A 146 10.184 -11.577 9.676 1.00 0.00 H new ATOM 0 HD2 PRO A 146 11.696 -12.274 11.975 1.00 0.00 H new ATOM 0 HD3 PRO A 146 12.145 -11.045 10.809 1.00 0.00 H new ATOM 330 N VAL A 147 7.591 -10.462 13.795 1.00 0.00 N ATOM 331 CA VAL A 147 6.796 -11.112 14.830 1.00 0.00 C ATOM 332 C VAL A 147 7.121 -12.600 14.901 1.00 0.00 C ATOM 333 O VAL A 147 6.941 -13.332 13.927 1.00 0.00 O ATOM 334 CB VAL A 147 5.307 -10.927 14.536 1.00 0.00 C ATOM 335 CG1 VAL A 147 4.976 -9.434 14.487 1.00 0.00 C ATOM 336 CG2 VAL A 147 4.969 -11.567 13.188 1.00 0.00 C ATOM 0 H VAL A 147 7.077 -9.793 13.221 1.00 0.00 H new ATOM 0 HA VAL A 147 7.037 -10.653 15.789 1.00 0.00 H new ATOM 0 HB VAL A 147 4.722 -11.403 15.322 1.00 0.00 H new ATOM 0 HG11 VAL A 147 3.914 -9.303 14.277 1.00 0.00 H new ATOM 0 HG12 VAL A 147 5.215 -8.977 15.447 1.00 0.00 H new ATOM 0 HG13 VAL A 147 5.562 -8.957 13.702 1.00 0.00 H new ATOM 0 HG21 VAL A 147 3.907 -11.435 12.979 1.00 0.00 H new ATOM 0 HG22 VAL A 147 5.556 -11.091 12.402 1.00 0.00 H new ATOM 0 HG23 VAL A 147 5.203 -12.631 13.222 1.00 0.00 H new ATOM 346 N LEU A 148 7.600 -13.041 16.059 1.00 0.00 N ATOM 347 CA LEU A 148 7.946 -14.446 16.246 1.00 0.00 C ATOM 348 C LEU A 148 6.689 -15.310 16.253 1.00 0.00 C ATOM 349 O LEU A 148 6.754 -16.519 16.033 1.00 0.00 O ATOM 350 CB LEU A 148 8.700 -14.627 17.569 1.00 0.00 C ATOM 351 CG LEU A 148 10.203 -14.769 17.304 1.00 0.00 C ATOM 352 CD1 LEU A 148 10.488 -16.092 16.588 1.00 0.00 C ATOM 353 CD2 LEU A 148 10.682 -13.604 16.434 1.00 0.00 C ATOM 0 H LEU A 148 7.757 -12.452 16.877 1.00 0.00 H new ATOM 0 HA LEU A 148 8.584 -14.758 15.419 1.00 0.00 H new ATOM 0 HB2 LEU A 148 8.517 -13.773 18.221 1.00 0.00 H new ATOM 0 HB3 LEU A 148 8.330 -15.510 18.090 1.00 0.00 H new ATOM 0 HG LEU A 148 10.734 -14.757 18.256 1.00 0.00 H new ATOM 0 HD11 LEU A 148 11.559 -16.183 16.404 1.00 0.00 H new ATOM 0 HD12 LEU A 148 10.155 -16.922 17.211 1.00 0.00 H new ATOM 0 HD13 LEU A 148 9.954 -16.114 15.638 1.00 0.00 H new ATOM 0 HD21 LEU A 148 11.751 -13.706 16.246 1.00 0.00 H new ATOM 0 HD22 LEU A 148 10.144 -13.613 15.486 1.00 0.00 H new ATOM 0 HD23 LEU A 148 10.492 -12.663 16.950 1.00 0.00 H new ATOM 365 N SER A 149 5.546 -14.681 16.507 1.00 0.00 N ATOM 366 CA SER A 149 4.280 -15.403 16.540 1.00 0.00 C ATOM 367 C SER A 149 4.055 -16.150 15.230 1.00 0.00 C ATOM 368 O SER A 149 3.324 -17.140 15.185 1.00 0.00 O ATOM 369 CB SER A 149 3.128 -14.426 16.776 1.00 0.00 C ATOM 370 OG SER A 149 2.282 -14.936 17.798 1.00 0.00 O ATOM 0 H SER A 149 5.470 -13.681 16.692 1.00 0.00 H new ATOM 0 HA SER A 149 4.317 -16.125 17.355 1.00 0.00 H new ATOM 0 HB2 SER A 149 3.517 -13.449 17.064 1.00 0.00 H new ATOM 0 HB3 SER A 149 2.561 -14.285 15.856 1.00 0.00 H new ATOM 0 HG SER A 149 1.543 -14.311 17.953 1.00 0.00 H new ATOM 376 N ALA A 150 4.689 -15.670 14.164 1.00 0.00 N ATOM 377 CA ALA A 150 4.552 -16.302 12.857 1.00 0.00 C ATOM 378 C ALA A 150 5.171 -17.696 12.867 1.00 0.00 C ATOM 379 O ALA A 150 4.805 -18.553 12.063 1.00 0.00 O ATOM 380 CB ALA A 150 5.235 -15.445 11.789 1.00 0.00 C ATOM 0 H ALA A 150 5.298 -14.852 14.179 1.00 0.00 H new ATOM 0 HA ALA A 150 3.490 -16.391 12.627 1.00 0.00 H new ATOM 0 HB1 ALA A 150 5.128 -15.924 10.816 1.00 0.00 H new ATOM 0 HB2 ALA A 150 4.770 -14.459 11.762 1.00 0.00 H new ATOM 0 HB3 ALA A 150 6.293 -15.341 12.028 1.00 0.00 H new ATOM 386 N LEU A 151 6.111 -17.913 13.781 1.00 0.00 N ATOM 387 CA LEU A 151 6.775 -19.208 13.886 1.00 0.00 C ATOM 388 C LEU A 151 5.808 -20.262 14.418 1.00 0.00 C ATOM 389 O LEU A 151 5.895 -21.436 14.059 1.00 0.00 O ATOM 390 CB LEU A 151 7.985 -19.098 14.822 1.00 0.00 C ATOM 391 CG LEU A 151 8.783 -20.409 14.811 1.00 0.00 C ATOM 392 CD1 LEU A 151 9.376 -20.658 13.420 1.00 0.00 C ATOM 393 CD2 LEU A 151 9.918 -20.315 15.833 1.00 0.00 C ATOM 0 H LEU A 151 6.428 -17.216 14.454 1.00 0.00 H new ATOM 0 HA LEU A 151 7.110 -19.509 12.893 1.00 0.00 H new ATOM 0 HB2 LEU A 151 8.623 -18.272 14.508 1.00 0.00 H new ATOM 0 HB3 LEU A 151 7.651 -18.875 15.835 1.00 0.00 H new ATOM 0 HG LEU A 151 8.117 -21.233 15.066 1.00 0.00 H new ATOM 0 HD11 LEU A 151 9.939 -21.591 13.426 1.00 0.00 H new ATOM 0 HD12 LEU A 151 8.571 -20.725 12.688 1.00 0.00 H new ATOM 0 HD13 LEU A 151 10.040 -19.835 13.155 1.00 0.00 H new ATOM 0 HD21 LEU A 151 10.488 -21.244 15.830 1.00 0.00 H new ATOM 0 HD22 LEU A 151 10.575 -19.485 15.572 1.00 0.00 H new ATOM 0 HD23 LEU A 151 9.501 -20.149 16.826 1.00 0.00 H new ATOM 405 N ILE A 152 4.887 -19.833 15.274 1.00 0.00 N ATOM 406 CA ILE A 152 3.907 -20.749 15.850 1.00 0.00 C ATOM 407 C ILE A 152 2.891 -21.177 14.796 1.00 0.00 C ATOM 408 O ILE A 152 2.863 -22.336 14.382 1.00 0.00 O ATOM 409 CB ILE A 152 3.184 -20.075 17.015 1.00 0.00 C ATOM 410 CG1 ILE A 152 4.201 -19.689 18.092 1.00 0.00 C ATOM 411 CG2 ILE A 152 2.157 -21.042 17.608 1.00 0.00 C ATOM 412 CD1 ILE A 152 3.521 -18.819 19.149 1.00 0.00 C ATOM 0 H ILE A 152 4.798 -18.865 15.583 1.00 0.00 H new ATOM 0 HA ILE A 152 4.432 -21.633 16.212 1.00 0.00 H new ATOM 0 HB ILE A 152 2.675 -19.180 16.657 1.00 0.00 H new ATOM 0 HG12 ILE A 152 4.614 -20.585 18.555 1.00 0.00 H new ATOM 0 HG13 ILE A 152 5.035 -19.149 17.643 1.00 0.00 H new ATOM 0 HG21 ILE A 152 1.642 -20.561 18.439 1.00 0.00 H new ATOM 0 HG22 ILE A 152 1.432 -21.318 16.842 1.00 0.00 H new ATOM 0 HG23 ILE A 152 2.665 -21.938 17.966 1.00 0.00 H new ATOM 0 HD11 ILE A 152 4.246 -18.545 19.916 1.00 0.00 H new ATOM 0 HD12 ILE A 152 3.129 -17.916 18.680 1.00 0.00 H new ATOM 0 HD13 ILE A 152 2.702 -19.375 19.606 1.00 0.00 H new ATOM 424 N VAL A 153 2.059 -20.234 14.366 1.00 0.00 N ATOM 425 CA VAL A 153 1.044 -20.527 13.360 1.00 0.00 C ATOM 426 C VAL A 153 1.684 -21.127 12.112 1.00 0.00 C ATOM 427 O VAL A 153 2.470 -20.470 11.429 1.00 0.00 O ATOM 428 CB VAL A 153 0.296 -19.246 12.986 1.00 0.00 C ATOM 429 CG1 VAL A 153 -0.584 -19.507 11.762 1.00 0.00 C ATOM 430 CG2 VAL A 153 -0.583 -18.810 14.160 1.00 0.00 C ATOM 0 H VAL A 153 2.067 -19.268 14.695 1.00 0.00 H new ATOM 0 HA VAL A 153 0.343 -21.249 13.778 1.00 0.00 H new ATOM 0 HB VAL A 153 1.015 -18.460 12.756 1.00 0.00 H new ATOM 0 HG11 VAL A 153 -1.117 -18.594 11.496 1.00 0.00 H new ATOM 0 HG12 VAL A 153 0.040 -19.820 10.925 1.00 0.00 H new ATOM 0 HG13 VAL A 153 -1.303 -20.293 11.992 1.00 0.00 H new ATOM 0 HG21 VAL A 153 -1.117 -17.897 13.895 1.00 0.00 H new ATOM 0 HG22 VAL A 153 -1.301 -19.597 14.389 1.00 0.00 H new ATOM 0 HG23 VAL A 153 0.042 -18.624 15.033 1.00 0.00 H new ATOM 440 N GLY A 154 1.343 -22.378 11.821 1.00 0.00 N ATOM 441 CA GLY A 154 1.891 -23.056 10.653 1.00 0.00 C ATOM 442 C GLY A 154 1.195 -24.393 10.422 1.00 0.00 C ATOM 443 O GLY A 154 1.672 -25.229 9.657 1.00 0.00 O ATOM 0 H GLY A 154 0.695 -22.939 12.373 1.00 0.00 H new ATOM 0 HA2 GLY A 154 1.774 -22.424 9.773 1.00 0.00 H new ATOM 0 HA3 GLY A 154 2.960 -23.217 10.790 1.00 0.00 H new TER 447 GLY A 154