USER MOD reduce.3.24.130724 H: found=0, std=0, add=459, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 460 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 109 ASN : amide:sc= 0.0126 X(o=0.026,f=0) USER MOD Set 1.2: A 112 LYS NZ :NH3+ -144:sc= 0.013 (180deg=0) USER MOD Set 2.1: A 73 ASN : amide:sc= 0.112 X(o=0.38,f=0.086) USER MOD Set 2.2: A 75 SER OG : rot 106:sc= 0.18 USER MOD Set 2.3: A 76 THR OG1 : rot 180:sc= 0.0918 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 70 TYR OH : rot 130:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.845 X(o=-0.85,f=-0.95) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 MET CE :methyl 180:sc= -0.0488 (180deg=-0.0488) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 GLN : amide:sc=-0.00661 X(o=-0.0066,f=-0.0078) USER MOD Single : A 110 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0489) USER MOD ----------------------------------------------------------------- ATOM 27 N ILE A 60 -4.174 -9.428 -0.349 1.00 0.00 N ATOM 28 CA ILE A 60 -5.159 -8.820 -1.210 1.00 0.00 C ATOM 29 C ILE A 60 -6.003 -7.841 -0.460 1.00 0.00 C ATOM 30 O ILE A 60 -6.003 -6.649 -0.766 1.00 0.00 O ATOM 31 CB ILE A 60 -6.117 -9.716 -1.986 1.00 0.00 C ATOM 32 CG1 ILE A 60 -6.047 -11.218 -1.638 1.00 0.00 C ATOM 33 CG2 ILE A 60 -5.855 -9.440 -3.477 1.00 0.00 C ATOM 34 CD1 ILE A 60 -6.499 -11.496 -0.210 1.00 0.00 C ATOM 0 HA ILE A 60 -4.509 -8.369 -1.960 1.00 0.00 H new ATOM 0 HB ILE A 60 -7.139 -9.467 -1.702 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -6.672 -11.780 -2.332 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -5.025 -11.573 -1.770 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -6.517 -10.058 -4.083 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -6.044 -8.388 -3.691 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -4.818 -9.678 -3.714 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -6.433 -12.565 -0.009 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -5.858 -10.956 0.486 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -7.530 -11.166 -0.084 1.00 0.00 H new ATOM 46 N ALA A 61 -6.769 -8.341 0.528 1.00 0.00 N ATOM 47 CA ALA A 61 -7.765 -7.577 1.210 1.00 0.00 C ATOM 48 C ALA A 61 -7.154 -7.088 2.471 1.00 0.00 C ATOM 49 O ALA A 61 -7.805 -6.402 3.253 1.00 0.00 O ATOM 50 CB ALA A 61 -8.983 -8.429 1.595 1.00 0.00 C ATOM 0 H ALA A 61 -6.692 -9.302 0.860 1.00 0.00 H new ATOM 0 HA ALA A 61 -8.098 -6.774 0.552 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -9.714 -7.807 2.111 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -9.434 -8.847 0.695 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -8.667 -9.239 2.253 1.00 0.00 H new ATOM 56 N ARG A 62 -5.874 -7.441 2.689 1.00 0.00 N ATOM 57 CA ARG A 62 -5.127 -6.956 3.808 1.00 0.00 C ATOM 58 C ARG A 62 -4.660 -5.577 3.477 1.00 0.00 C ATOM 59 O ARG A 62 -4.492 -4.745 4.364 1.00 0.00 O ATOM 60 CB ARG A 62 -3.892 -7.810 4.145 1.00 0.00 C ATOM 61 CG ARG A 62 -3.690 -9.043 3.251 1.00 0.00 C ATOM 62 CD ARG A 62 -2.554 -9.935 3.762 1.00 0.00 C ATOM 63 NE ARG A 62 -2.972 -10.499 5.073 1.00 0.00 N ATOM 64 CZ ARG A 62 -2.189 -11.407 5.723 1.00 0.00 C ATOM 65 NH1 ARG A 62 -0.972 -11.757 5.212 1.00 0.00 N ATOM 66 NH2 ARG A 62 -2.629 -11.968 6.886 1.00 0.00 N ATOM 0 H ARG A 62 -5.351 -8.071 2.081 1.00 0.00 H new ATOM 0 HA ARG A 62 -5.784 -6.989 4.677 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -3.005 -7.181 4.076 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -3.969 -8.140 5.181 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.615 -9.619 3.211 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.470 -8.722 2.233 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -2.347 -10.735 3.051 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -1.635 -9.359 3.870 1.00 0.00 H new ATOM 0 HE ARG A 62 -3.854 -10.203 5.491 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -0.645 -11.339 4.341 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -0.390 -12.436 5.701 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -3.539 -11.708 7.265 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -2.048 -12.648 7.376 1.00 0.00 H new ATOM 80 N ILE A 63 -4.444 -5.316 2.172 1.00 0.00 N ATOM 81 CA ILE A 63 -4.056 -4.079 1.611 1.00 0.00 C ATOM 82 C ILE A 63 -5.231 -3.175 1.642 1.00 0.00 C ATOM 83 O ILE A 63 -5.095 -2.000 1.963 1.00 0.00 O ATOM 84 CB ILE A 63 -3.693 -4.275 0.161 1.00 0.00 C ATOM 85 CG1 ILE A 63 -2.934 -5.600 -0.031 1.00 0.00 C ATOM 86 CG2 ILE A 63 -2.820 -3.082 -0.210 1.00 0.00 C ATOM 87 CD1 ILE A 63 -2.575 -5.927 -1.480 1.00 0.00 C ATOM 0 H ILE A 63 -4.554 -6.040 1.462 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.211 -3.674 2.167 1.00 0.00 H new ATOM 0 HB ILE A 63 -4.577 -4.330 -0.475 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.017 -5.566 0.557 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.540 -6.412 0.371 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.520 -3.162 -1.255 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.383 -2.160 -0.063 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.932 -3.070 0.423 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.043 -6.878 -1.517 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.486 -5.998 -2.074 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.939 -5.139 -1.884 1.00 0.00 H new ATOM 99 N ASN A 64 -6.418 -3.721 1.303 1.00 0.00 N ATOM 100 CA ASN A 64 -7.641 -2.971 1.267 1.00 0.00 C ATOM 101 C ASN A 64 -7.981 -2.544 2.656 1.00 0.00 C ATOM 102 O ASN A 64 -8.445 -1.428 2.886 1.00 0.00 O ATOM 103 CB ASN A 64 -8.801 -3.828 0.740 1.00 0.00 C ATOM 104 CG ASN A 64 -9.817 -2.939 0.026 1.00 0.00 C ATOM 105 OD1 ASN A 64 -10.418 -2.029 0.608 1.00 0.00 O ATOM 106 ND2 ASN A 64 -10.002 -3.234 -1.298 1.00 0.00 N ATOM 0 H ASN A 64 -6.530 -4.703 1.049 1.00 0.00 H new ATOM 0 HA ASN A 64 -7.500 -2.115 0.607 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.423 -4.587 0.055 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -9.281 -4.354 1.565 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -10.663 -2.691 -1.854 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -9.479 -3.997 -1.728 1.00 0.00 H new ATOM 113 N ALA A 65 -7.725 -3.453 3.615 1.00 0.00 N ATOM 114 CA ALA A 65 -8.002 -3.226 5.001 1.00 0.00 C ATOM 115 C ALA A 65 -7.025 -2.250 5.565 1.00 0.00 C ATOM 116 O ALA A 65 -7.337 -1.563 6.536 1.00 0.00 O ATOM 117 CB ALA A 65 -7.881 -4.494 5.858 1.00 0.00 C ATOM 0 H ALA A 65 -7.316 -4.367 3.423 1.00 0.00 H new ATOM 0 HA ALA A 65 -9.028 -2.861 5.036 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -8.103 -4.253 6.898 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.587 -5.244 5.500 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -6.867 -4.887 5.786 1.00 0.00 H new ATOM 123 N ALA A 66 -5.811 -2.167 4.983 1.00 0.00 N ATOM 124 CA ALA A 66 -4.827 -1.287 5.537 1.00 0.00 C ATOM 125 C ALA A 66 -5.140 0.137 5.187 1.00 0.00 C ATOM 126 O ALA A 66 -4.932 1.035 6.002 1.00 0.00 O ATOM 127 CB ALA A 66 -3.417 -1.582 5.011 1.00 0.00 C ATOM 0 H ALA A 66 -5.518 -2.690 4.158 1.00 0.00 H new ATOM 0 HA ALA A 66 -4.853 -1.447 6.615 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -2.708 -0.887 5.461 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -3.138 -2.604 5.270 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -3.401 -1.465 3.927 1.00 0.00 H new ATOM 133 N VAL A 67 -5.618 0.373 3.948 1.00 0.00 N ATOM 134 CA VAL A 67 -5.613 1.688 3.382 1.00 0.00 C ATOM 135 C VAL A 67 -6.915 2.394 3.578 1.00 0.00 C ATOM 136 O VAL A 67 -7.076 3.525 3.122 1.00 0.00 O ATOM 137 CB VAL A 67 -5.306 1.683 1.907 1.00 0.00 C ATOM 138 CG1 VAL A 67 -3.899 1.108 1.686 1.00 0.00 C ATOM 139 CG2 VAL A 67 -6.378 0.908 1.127 1.00 0.00 C ATOM 0 H VAL A 67 -6.007 -0.347 3.340 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.823 2.217 3.915 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.323 2.704 1.526 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.672 1.102 0.620 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.168 1.724 2.210 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.858 0.089 2.071 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.134 0.919 0.065 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.412 -0.122 1.481 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.350 1.377 1.281 1.00 0.00 H new ATOM 149 N ARG A 68 -7.880 1.749 4.266 1.00 0.00 N ATOM 150 CA ARG A 68 -9.205 2.288 4.408 1.00 0.00 C ATOM 151 C ARG A 68 -9.216 3.407 5.405 1.00 0.00 C ATOM 152 O ARG A 68 -10.179 4.168 5.476 1.00 0.00 O ATOM 153 CB ARG A 68 -10.221 1.218 4.848 1.00 0.00 C ATOM 154 CG ARG A 68 -9.953 0.639 6.242 1.00 0.00 C ATOM 155 CD ARG A 68 -10.719 -0.664 6.477 1.00 0.00 C ATOM 156 NE ARG A 68 -10.313 -1.218 7.805 1.00 0.00 N ATOM 157 CZ ARG A 68 -10.933 -0.853 8.968 1.00 0.00 C ATOM 158 NH1 ARG A 68 -11.976 0.026 8.962 1.00 0.00 N ATOM 159 NH2 ARG A 68 -10.499 -1.377 10.153 1.00 0.00 N ATOM 0 H ARG A 68 -7.743 0.849 4.727 1.00 0.00 H new ATOM 0 HA ARG A 68 -9.498 2.660 3.426 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -11.220 1.653 4.832 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -10.215 0.406 4.121 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -8.885 0.458 6.360 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -10.239 1.369 6.999 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -11.793 -0.481 6.455 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -10.501 -1.380 5.685 1.00 0.00 H new ATOM 0 HE ARG A 68 -9.548 -1.891 7.845 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -12.305 0.422 8.081 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -12.427 0.288 9.838 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -9.719 -2.034 10.165 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -10.955 -1.111 11.026 1.00 0.00 H new ATOM 173 N ALA A 69 -8.121 3.540 6.180 1.00 0.00 N ATOM 174 CA ALA A 69 -7.961 4.594 7.133 1.00 0.00 C ATOM 175 C ALA A 69 -7.733 5.884 6.409 1.00 0.00 C ATOM 176 O ALA A 69 -8.146 6.941 6.882 1.00 0.00 O ATOM 177 CB ALA A 69 -6.734 4.374 8.029 1.00 0.00 C ATOM 0 H ALA A 69 -7.329 2.898 6.142 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.864 4.614 7.743 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -6.649 5.197 8.738 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -6.844 3.436 8.573 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -5.836 4.332 7.413 1.00 0.00 H new ATOM 183 N TYR A 70 -7.057 5.816 5.244 1.00 0.00 N ATOM 184 CA TYR A 70 -6.642 6.996 4.545 1.00 0.00 C ATOM 185 C TYR A 70 -7.813 7.541 3.796 1.00 0.00 C ATOM 186 O TYR A 70 -8.064 8.744 3.833 1.00 0.00 O ATOM 187 CB TYR A 70 -5.510 6.727 3.533 1.00 0.00 C ATOM 188 CG TYR A 70 -4.397 5.980 4.201 1.00 0.00 C ATOM 189 CD1 TYR A 70 -3.870 6.376 5.419 1.00 0.00 C ATOM 190 CD2 TYR A 70 -3.881 4.852 3.588 1.00 0.00 C ATOM 191 CE1 TYR A 70 -2.896 5.619 6.040 1.00 0.00 C ATOM 192 CE2 TYR A 70 -2.897 4.104 4.202 1.00 0.00 C ATOM 193 CZ TYR A 70 -2.422 4.473 5.440 1.00 0.00 C ATOM 194 OH TYR A 70 -1.453 3.684 6.093 1.00 0.00 O ATOM 0 H TYR A 70 -6.798 4.942 4.786 1.00 0.00 H new ATOM 0 HA TYR A 70 -6.265 7.698 5.288 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -5.893 6.151 2.691 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -5.138 7.669 3.131 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -4.223 7.283 5.887 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -4.252 4.554 2.619 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -2.505 5.926 6.999 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -2.499 3.228 3.711 1.00 0.00 H new ATOM 0 HH TYR A 70 -1.743 2.748 6.098 1.00 0.00 H new ATOM 204 N GLY A 71 -8.556 6.655 3.105 1.00 0.00 N ATOM 205 CA GLY A 71 -9.659 7.070 2.284 1.00 0.00 C ATOM 206 C GLY A 71 -9.500 6.344 0.995 1.00 0.00 C ATOM 207 O GLY A 71 -10.398 6.330 0.154 1.00 0.00 O ATOM 0 H GLY A 71 -8.394 5.648 3.114 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -10.611 6.826 2.755 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -9.647 8.149 2.129 1.00 0.00 H new ATOM 211 N LEU A 72 -8.321 5.716 0.832 1.00 0.00 N ATOM 212 CA LEU A 72 -8.015 4.913 -0.312 1.00 0.00 C ATOM 213 C LEU A 72 -8.724 3.634 -0.132 1.00 0.00 C ATOM 214 O LEU A 72 -9.060 3.241 0.983 1.00 0.00 O ATOM 215 CB LEU A 72 -6.512 4.630 -0.425 1.00 0.00 C ATOM 216 CG LEU A 72 -5.672 5.914 -0.588 1.00 0.00 C ATOM 217 CD1 LEU A 72 -4.174 5.606 -0.485 1.00 0.00 C ATOM 218 CD2 LEU A 72 -5.985 6.631 -1.910 1.00 0.00 C ATOM 0 H LEU A 72 -7.562 5.768 1.512 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.319 5.438 -1.218 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.180 4.095 0.465 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.334 3.974 -1.277 1.00 0.00 H new ATOM 0 HG LEU A 72 -5.944 6.585 0.227 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.604 6.528 -0.603 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.959 5.169 0.490 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.893 4.902 -1.268 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.375 7.530 -1.989 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.763 5.967 -2.745 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.040 6.905 -1.934 1.00 0.00 H new ATOM 230 N ASN A 73 -9.012 3.000 -1.276 1.00 0.00 N ATOM 231 CA ASN A 73 -9.776 1.799 -1.308 1.00 0.00 C ATOM 232 C ASN A 73 -8.959 0.747 -1.962 1.00 0.00 C ATOM 233 O ASN A 73 -9.491 -0.283 -2.368 1.00 0.00 O ATOM 234 CB ASN A 73 -11.150 1.940 -2.005 1.00 0.00 C ATOM 235 CG ASN A 73 -11.024 2.134 -3.521 1.00 0.00 C ATOM 236 OD1 ASN A 73 -11.426 1.249 -4.287 1.00 0.00 O ATOM 237 ND2 ASN A 73 -10.488 3.314 -3.954 1.00 0.00 N ATOM 0 H ASN A 73 -8.710 3.326 -2.194 1.00 0.00 H new ATOM 0 HA ASN A 73 -10.012 1.531 -0.278 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -11.748 1.051 -1.804 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -11.685 2.788 -1.577 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -10.404 3.500 -4.953 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -10.172 4.009 -3.278 1.00 0.00 H new ATOM 244 N TYR A 74 -7.634 1.011 -2.052 1.00 0.00 N ATOM 245 CA TYR A 74 -6.625 0.126 -2.576 1.00 0.00 C ATOM 246 C TYR A 74 -6.510 0.298 -4.054 1.00 0.00 C ATOM 247 O TYR A 74 -5.474 -0.039 -4.616 1.00 0.00 O ATOM 248 CB TYR A 74 -6.667 -1.348 -2.065 1.00 0.00 C ATOM 249 CG TYR A 74 -6.631 -2.427 -3.108 1.00 0.00 C ATOM 250 CD1 TYR A 74 -7.688 -2.646 -3.975 1.00 0.00 C ATOM 251 CD2 TYR A 74 -5.568 -3.313 -3.127 1.00 0.00 C ATOM 252 CE1 TYR A 74 -7.673 -3.710 -4.855 1.00 0.00 C ATOM 253 CE2 TYR A 74 -5.555 -4.386 -3.993 1.00 0.00 C ATOM 254 CZ TYR A 74 -6.607 -4.585 -4.860 1.00 0.00 C ATOM 255 OH TYR A 74 -6.594 -5.683 -5.745 1.00 0.00 O ATOM 0 H TYR A 74 -7.243 1.900 -1.739 1.00 0.00 H new ATOM 0 HA TYR A 74 -5.677 0.440 -2.140 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.823 -1.498 -1.391 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -7.574 -1.477 -1.474 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.535 -1.976 -3.963 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -4.737 -3.162 -2.454 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.496 -3.857 -5.539 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -4.720 -5.071 -3.992 1.00 0.00 H new ATOM 0 HH TYR A 74 -5.769 -6.196 -5.617 1.00 0.00 H new ATOM 265 N SER A 75 -7.561 0.834 -4.709 1.00 0.00 N ATOM 266 CA SER A 75 -7.588 0.964 -6.141 1.00 0.00 C ATOM 267 C SER A 75 -6.862 2.196 -6.558 1.00 0.00 C ATOM 268 O SER A 75 -6.191 2.216 -7.587 1.00 0.00 O ATOM 269 CB SER A 75 -9.007 1.044 -6.717 1.00 0.00 C ATOM 270 OG SER A 75 -9.710 -0.153 -6.428 1.00 0.00 O ATOM 0 H SER A 75 -8.400 1.181 -4.243 1.00 0.00 H new ATOM 0 HA SER A 75 -7.110 0.064 -6.529 1.00 0.00 H new ATOM 0 HB2 SER A 75 -9.534 1.898 -6.292 1.00 0.00 H new ATOM 0 HB3 SER A 75 -8.964 1.200 -7.795 1.00 0.00 H new ATOM 0 HG SER A 75 -10.370 0.017 -5.724 1.00 0.00 H new ATOM 276 N THR A 76 -7.007 3.271 -5.764 1.00 0.00 N ATOM 277 CA THR A 76 -6.416 4.536 -6.088 1.00 0.00 C ATOM 278 C THR A 76 -5.011 4.522 -5.572 1.00 0.00 C ATOM 279 O THR A 76 -4.110 5.173 -6.116 1.00 0.00 O ATOM 280 CB THR A 76 -7.185 5.666 -5.471 1.00 0.00 C ATOM 281 OG1 THR A 76 -7.706 5.249 -4.219 1.00 0.00 O ATOM 282 CG2 THR A 76 -8.354 6.015 -6.408 1.00 0.00 C ATOM 0 H THR A 76 -7.536 3.266 -4.892 1.00 0.00 H new ATOM 0 HA THR A 76 -6.431 4.688 -7.167 1.00 0.00 H new ATOM 0 HB THR A 76 -6.538 6.531 -5.325 1.00 0.00 H new ATOM 0 HG1 THR A 76 -8.208 5.986 -3.812 1.00 0.00 H new ATOM 0 HG21 THR A 76 -8.930 6.836 -5.981 1.00 0.00 H new ATOM 0 HG22 THR A 76 -7.964 6.313 -7.381 1.00 0.00 H new ATOM 0 HG23 THR A 76 -8.998 5.143 -6.527 1.00 0.00 H new ATOM 290 N PHE A 77 -4.799 3.704 -4.522 1.00 0.00 N ATOM 291 CA PHE A 77 -3.498 3.427 -3.997 1.00 0.00 C ATOM 292 C PHE A 77 -2.735 2.783 -5.098 1.00 0.00 C ATOM 293 O PHE A 77 -1.579 3.128 -5.329 1.00 0.00 O ATOM 294 CB PHE A 77 -3.578 2.418 -2.834 1.00 0.00 C ATOM 295 CG PHE A 77 -2.354 2.356 -1.968 1.00 0.00 C ATOM 296 CD1 PHE A 77 -1.630 3.476 -1.589 1.00 0.00 C ATOM 297 CD2 PHE A 77 -2.004 1.133 -1.427 1.00 0.00 C ATOM 298 CE1 PHE A 77 -0.589 3.375 -0.686 1.00 0.00 C ATOM 299 CE2 PHE A 77 -0.976 1.036 -0.508 1.00 0.00 C ATOM 300 CZ PHE A 77 -0.258 2.153 -0.144 1.00 0.00 C ATOM 0 H PHE A 77 -5.551 3.225 -4.027 1.00 0.00 H new ATOM 0 HA PHE A 77 -3.037 4.346 -3.634 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -4.435 2.672 -2.210 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -3.766 1.426 -3.245 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.883 4.440 -2.005 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -2.539 0.244 -1.726 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -0.033 4.257 -0.404 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -0.734 0.078 -0.073 1.00 0.00 H new ATOM 0 HZ PHE A 77 0.557 2.072 0.560 1.00 0.00 H new ATOM 310 N ILE A 78 -3.417 1.853 -5.808 1.00 0.00 N ATOM 311 CA ILE A 78 -2.861 1.024 -6.840 1.00 0.00 C ATOM 312 C ILE A 78 -2.318 1.853 -7.967 1.00 0.00 C ATOM 313 O ILE A 78 -1.275 1.519 -8.530 1.00 0.00 O ATOM 314 CB ILE A 78 -3.839 -0.035 -7.322 1.00 0.00 C ATOM 315 CG1 ILE A 78 -3.292 -1.386 -6.835 1.00 0.00 C ATOM 316 CG2 ILE A 78 -4.064 -0.045 -8.851 1.00 0.00 C ATOM 317 CD1 ILE A 78 -4.329 -2.507 -6.804 1.00 0.00 C ATOM 0 H ILE A 78 -4.409 1.673 -5.651 1.00 0.00 H new ATOM 0 HA ILE A 78 -2.023 0.481 -6.402 1.00 0.00 H new ATOM 0 HB ILE A 78 -4.825 0.183 -6.912 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.468 -1.686 -7.482 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.881 -1.259 -5.834 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -4.775 -0.830 -9.109 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -4.459 0.921 -9.167 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.117 -0.233 -9.357 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -3.861 -3.425 -6.449 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -5.143 -2.231 -6.133 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -4.724 -2.665 -7.808 1.00 0.00 H new ATOM 329 N ASN A 79 -3.011 2.962 -8.307 1.00 0.00 N ATOM 330 CA ASN A 79 -2.589 3.781 -9.411 1.00 0.00 C ATOM 331 C ASN A 79 -1.345 4.491 -9.056 1.00 0.00 C ATOM 332 O ASN A 79 -0.393 4.541 -9.827 1.00 0.00 O ATOM 333 CB ASN A 79 -3.622 4.816 -9.932 1.00 0.00 C ATOM 334 CG ASN A 79 -3.892 6.137 -9.181 1.00 0.00 C ATOM 335 OD1 ASN A 79 -3.055 7.043 -9.107 1.00 0.00 O ATOM 336 ND2 ASN A 79 -5.168 6.272 -8.715 1.00 0.00 N ATOM 0 H ASN A 79 -3.850 3.288 -7.827 1.00 0.00 H new ATOM 0 HA ASN A 79 -2.448 3.076 -10.231 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -3.319 5.084 -10.944 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -4.577 4.297 -10.012 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -5.464 7.148 -8.285 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -5.826 5.497 -8.797 1.00 0.00 H new ATOM 343 N GLY A 80 -1.370 5.053 -7.845 1.00 0.00 N ATOM 344 CA GLY A 80 -0.294 5.873 -7.349 1.00 0.00 C ATOM 345 C GLY A 80 0.943 5.083 -7.044 1.00 0.00 C ATOM 346 O GLY A 80 2.009 5.671 -6.880 1.00 0.00 O ATOM 0 H GLY A 80 -2.144 4.944 -7.190 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -0.058 6.640 -8.087 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -0.622 6.389 -6.447 1.00 0.00 H new ATOM 350 N LEU A 81 0.841 3.739 -6.941 1.00 0.00 N ATOM 351 CA LEU A 81 2.024 2.913 -6.834 1.00 0.00 C ATOM 352 C LEU A 81 2.869 3.005 -8.060 1.00 0.00 C ATOM 353 O LEU A 81 4.088 2.911 -7.972 1.00 0.00 O ATOM 354 CB LEU A 81 1.829 1.398 -6.734 1.00 0.00 C ATOM 355 CG LEU A 81 0.736 0.909 -5.783 1.00 0.00 C ATOM 356 CD1 LEU A 81 0.514 -0.603 -5.965 1.00 0.00 C ATOM 357 CD2 LEU A 81 0.999 1.302 -4.319 1.00 0.00 C ATOM 0 H LEU A 81 -0.041 3.227 -6.931 1.00 0.00 H new ATOM 0 HA LEU A 81 2.445 3.310 -5.910 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.609 1.016 -7.731 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.774 0.953 -6.424 1.00 0.00 H new ATOM 0 HG LEU A 81 -0.191 1.418 -6.047 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.266 -0.941 -5.283 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.211 -0.805 -6.992 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.440 -1.135 -5.749 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.190 0.928 -3.691 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.944 0.869 -3.990 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.049 2.388 -4.237 1.00 0.00 H new ATOM 369 N LYS A 82 2.227 3.132 -9.239 1.00 0.00 N ATOM 370 CA LYS A 82 2.897 3.150 -10.508 1.00 0.00 C ATOM 371 C LYS A 82 3.643 4.440 -10.600 1.00 0.00 C ATOM 372 O LYS A 82 4.767 4.486 -11.098 1.00 0.00 O ATOM 373 CB LYS A 82 1.890 3.097 -11.673 1.00 0.00 C ATOM 374 CG LYS A 82 2.518 2.924 -13.063 1.00 0.00 C ATOM 375 CD LYS A 82 1.506 3.095 -14.208 1.00 0.00 C ATOM 376 CE LYS A 82 0.387 2.050 -14.221 1.00 0.00 C ATOM 377 NZ LYS A 82 -0.510 2.287 -15.374 1.00 0.00 N ATOM 0 H LYS A 82 1.214 3.225 -9.312 1.00 0.00 H new ATOM 0 HA LYS A 82 3.555 2.284 -10.579 1.00 0.00 H new ATOM 0 HB2 LYS A 82 1.197 2.274 -11.498 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.302 4.015 -11.668 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.322 3.650 -13.185 1.00 0.00 H new ATOM 0 HG3 LYS A 82 2.970 1.934 -13.130 1.00 0.00 H new ATOM 0 HD2 LYS A 82 1.060 4.087 -14.138 1.00 0.00 H new ATOM 0 HD3 LYS A 82 2.039 3.052 -15.158 1.00 0.00 H new ATOM 0 HE2 LYS A 82 0.813 1.049 -14.281 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -0.180 2.100 -13.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -1.267 1.574 -15.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -0.928 3.236 -15.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 0.034 2.217 -16.257 1.00 0.00 H new ATOM 391 N LYS A 83 3.010 5.516 -10.087 1.00 0.00 N ATOM 392 CA LYS A 83 3.566 6.836 -10.079 1.00 0.00 C ATOM 393 C LYS A 83 4.778 6.861 -9.195 1.00 0.00 C ATOM 394 O LYS A 83 5.733 7.581 -9.485 1.00 0.00 O ATOM 395 CB LYS A 83 2.577 7.896 -9.546 1.00 0.00 C ATOM 396 CG LYS A 83 1.606 8.465 -10.598 1.00 0.00 C ATOM 397 CD LYS A 83 0.529 7.485 -11.082 1.00 0.00 C ATOM 398 CE LYS A 83 -0.540 8.150 -11.953 1.00 0.00 C ATOM 399 NZ LYS A 83 -1.557 7.154 -12.354 1.00 0.00 N ATOM 0 H LYS A 83 2.083 5.464 -9.665 1.00 0.00 H new ATOM 0 HA LYS A 83 3.812 7.079 -11.113 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.995 7.454 -8.737 1.00 0.00 H new ATOM 0 HB3 LYS A 83 3.147 8.720 -9.116 1.00 0.00 H new ATOM 0 HG2 LYS A 83 1.115 9.344 -10.180 1.00 0.00 H new ATOM 0 HG3 LYS A 83 2.183 8.802 -11.459 1.00 0.00 H new ATOM 0 HD2 LYS A 83 1.004 6.683 -11.648 1.00 0.00 H new ATOM 0 HD3 LYS A 83 0.050 7.025 -10.218 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -1.013 8.964 -11.404 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -0.079 8.588 -12.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -2.279 7.614 -12.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -1.102 6.391 -12.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -2.007 6.756 -11.505 1.00 0.00 H new ATOM 413 N ALA A 84 4.771 6.069 -8.102 1.00 0.00 N ATOM 414 CA ALA A 84 5.874 6.016 -7.185 1.00 0.00 C ATOM 415 C ALA A 84 7.005 5.261 -7.811 1.00 0.00 C ATOM 416 O ALA A 84 8.095 5.806 -7.980 1.00 0.00 O ATOM 417 CB ALA A 84 5.506 5.335 -5.857 1.00 0.00 C ATOM 0 H ALA A 84 3.992 5.459 -7.852 1.00 0.00 H new ATOM 0 HA ALA A 84 6.159 7.045 -6.967 1.00 0.00 H new ATOM 0 HB1 ALA A 84 6.377 5.322 -5.201 1.00 0.00 H new ATOM 0 HB2 ALA A 84 4.698 5.887 -5.377 1.00 0.00 H new ATOM 0 HB3 ALA A 84 5.182 4.312 -6.050 1.00 0.00 H new ATOM 423 N GLY A 85 6.757 3.986 -8.170 1.00 0.00 N ATOM 424 CA GLY A 85 7.740 3.123 -8.762 1.00 0.00 C ATOM 425 C GLY A 85 7.984 2.012 -7.802 1.00 0.00 C ATOM 426 O GLY A 85 9.101 1.505 -7.691 1.00 0.00 O ATOM 0 H GLY A 85 5.847 3.541 -8.046 1.00 0.00 H new ATOM 0 HA2 GLY A 85 7.387 2.735 -9.717 1.00 0.00 H new ATOM 0 HA3 GLY A 85 8.662 3.669 -8.961 1.00 0.00 H new ATOM 430 N ILE A 86 6.920 1.622 -7.083 1.00 0.00 N ATOM 431 CA ILE A 86 6.943 0.604 -6.090 1.00 0.00 C ATOM 432 C ILE A 86 6.249 -0.525 -6.785 1.00 0.00 C ATOM 433 O ILE A 86 6.903 -1.488 -7.183 1.00 0.00 O ATOM 434 CB ILE A 86 6.243 1.087 -4.831 1.00 0.00 C ATOM 435 CG1 ILE A 86 7.088 2.227 -4.215 1.00 0.00 C ATOM 436 CG2 ILE A 86 6.031 -0.078 -3.848 1.00 0.00 C ATOM 437 CD1 ILE A 86 6.466 2.842 -2.962 1.00 0.00 C ATOM 0 H ILE A 86 5.997 2.040 -7.203 1.00 0.00 H new ATOM 0 HA ILE A 86 7.932 0.310 -5.739 1.00 0.00 H new ATOM 0 HB ILE A 86 5.252 1.473 -5.069 1.00 0.00 H new ATOM 0 HG12 ILE A 86 8.077 1.842 -3.968 1.00 0.00 H new ATOM 0 HG13 ILE A 86 7.228 3.008 -4.962 1.00 0.00 H new ATOM 0 HG21 ILE A 86 5.528 0.288 -2.953 1.00 0.00 H new ATOM 0 HG22 ILE A 86 5.418 -0.845 -4.320 1.00 0.00 H new ATOM 0 HG23 ILE A 86 6.997 -0.503 -3.574 1.00 0.00 H new ATOM 0 HD11 ILE A 86 7.113 3.634 -2.586 1.00 0.00 H new ATOM 0 HD12 ILE A 86 5.489 3.258 -3.208 1.00 0.00 H new ATOM 0 HD13 ILE A 86 6.351 2.073 -2.198 1.00 0.00 H new ATOM 449 N GLU A 87 4.917 -0.375 -6.981 1.00 0.00 N ATOM 450 CA GLU A 87 4.044 -1.280 -7.688 1.00 0.00 C ATOM 451 C GLU A 87 4.258 -2.680 -7.215 1.00 0.00 C ATOM 452 O GLU A 87 4.623 -3.575 -7.977 1.00 0.00 O ATOM 453 CB GLU A 87 4.131 -1.125 -9.217 1.00 0.00 C ATOM 454 CG GLU A 87 2.902 -1.670 -9.951 1.00 0.00 C ATOM 455 CD GLU A 87 2.977 -1.214 -11.400 1.00 0.00 C ATOM 456 OE1 GLU A 87 3.960 -1.590 -12.093 1.00 0.00 O ATOM 457 OE2 GLU A 87 2.051 -0.477 -11.833 1.00 0.00 O ATOM 0 H GLU A 87 4.415 0.436 -6.620 1.00 0.00 H new ATOM 0 HA GLU A 87 3.015 -1.012 -7.450 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.254 -0.070 -9.462 1.00 0.00 H new ATOM 0 HB3 GLU A 87 5.020 -1.642 -9.578 1.00 0.00 H new ATOM 0 HG2 GLU A 87 2.877 -2.758 -9.895 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.987 -1.306 -9.484 1.00 0.00 H new ATOM 464 N LEU A 88 4.077 -2.852 -5.892 1.00 0.00 N ATOM 465 CA LEU A 88 4.581 -3.989 -5.196 1.00 0.00 C ATOM 466 C LEU A 88 3.426 -4.636 -4.490 1.00 0.00 C ATOM 467 O LEU A 88 3.527 -5.771 -4.026 1.00 0.00 O ATOM 468 CB LEU A 88 5.663 -3.505 -4.209 1.00 0.00 C ATOM 469 CG LEU A 88 6.554 -4.589 -3.569 1.00 0.00 C ATOM 470 CD1 LEU A 88 7.442 -5.285 -4.615 1.00 0.00 C ATOM 471 CD2 LEU A 88 7.417 -3.990 -2.444 1.00 0.00 C ATOM 0 H LEU A 88 3.574 -2.191 -5.300 1.00 0.00 H new ATOM 0 HA LEU A 88 5.035 -4.720 -5.865 1.00 0.00 H new ATOM 0 HB2 LEU A 88 6.309 -2.799 -4.732 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.170 -2.953 -3.408 1.00 0.00 H new ATOM 0 HG LEU A 88 5.894 -5.343 -3.140 1.00 0.00 H new ATOM 0 HD11 LEU A 88 8.055 -6.042 -4.126 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.813 -5.759 -5.369 1.00 0.00 H new ATOM 0 HD13 LEU A 88 8.088 -4.548 -5.092 1.00 0.00 H new ATOM 0 HD21 LEU A 88 8.038 -4.772 -2.006 1.00 0.00 H new ATOM 0 HD22 LEU A 88 8.055 -3.206 -2.853 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.770 -3.567 -1.675 1.00 0.00 H new ATOM 483 N ASP A 89 2.276 -3.926 -4.427 1.00 0.00 N ATOM 484 CA ASP A 89 1.086 -4.422 -3.777 1.00 0.00 C ATOM 485 C ASP A 89 0.387 -5.292 -4.766 1.00 0.00 C ATOM 486 O ASP A 89 0.962 -5.683 -5.782 1.00 0.00 O ATOM 487 CB ASP A 89 0.005 -3.381 -3.371 1.00 0.00 C ATOM 488 CG ASP A 89 0.476 -2.032 -2.824 1.00 0.00 C ATOM 489 OD1 ASP A 89 1.601 -1.559 -3.118 1.00 0.00 O ATOM 490 OD2 ASP A 89 -0.351 -1.441 -2.082 1.00 0.00 O ATOM 0 H ASP A 89 2.168 -2.996 -4.831 1.00 0.00 H new ATOM 0 HA ASP A 89 1.452 -4.884 -2.860 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -0.617 -3.188 -4.245 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -0.636 -3.841 -2.619 1.00 0.00 H new ATOM 495 N ARG A 90 -0.885 -5.620 -4.428 1.00 0.00 N ATOM 496 CA ARG A 90 -1.795 -6.484 -5.128 1.00 0.00 C ATOM 497 C ARG A 90 -1.569 -7.853 -4.582 1.00 0.00 C ATOM 498 O ARG A 90 -2.485 -8.673 -4.565 1.00 0.00 O ATOM 499 CB ARG A 90 -1.708 -6.488 -6.670 1.00 0.00 C ATOM 500 CG ARG A 90 -2.945 -7.077 -7.364 1.00 0.00 C ATOM 501 CD ARG A 90 -2.816 -7.090 -8.888 1.00 0.00 C ATOM 502 NE ARG A 90 -1.705 -8.020 -9.241 1.00 0.00 N ATOM 503 CZ ARG A 90 -1.238 -8.108 -10.520 1.00 0.00 C ATOM 504 NH1 ARG A 90 -1.795 -7.354 -11.512 1.00 0.00 N ATOM 505 NH2 ARG A 90 -0.206 -8.955 -10.808 1.00 0.00 N ATOM 0 H ARG A 90 -1.311 -5.241 -3.583 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.801 -6.102 -4.955 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -1.561 -5.466 -7.018 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -0.829 -7.057 -6.973 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -3.106 -8.095 -7.008 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -3.825 -6.498 -7.083 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -3.749 -7.416 -9.348 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -2.609 -6.088 -9.263 1.00 0.00 H new ATOM 0 HE ARG A 90 -1.287 -8.600 -8.514 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -2.565 -6.720 -11.299 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -1.441 -7.425 -12.466 1.00 0.00 H new ATOM 0 HH21 ARG A 90 0.213 -9.519 -10.068 1.00 0.00 H new ATOM 0 HH22 ARG A 90 0.146 -9.024 -11.763 1.00 0.00 H new ATOM 519 N LYS A 91 -0.334 -8.110 -4.095 1.00 0.00 N ATOM 520 CA LYS A 91 0.073 -9.348 -3.565 1.00 0.00 C ATOM 521 C LYS A 91 1.477 -9.093 -3.147 1.00 0.00 C ATOM 522 O LYS A 91 2.335 -8.770 -3.967 1.00 0.00 O ATOM 523 CB LYS A 91 0.028 -10.523 -4.576 1.00 0.00 C ATOM 524 CG LYS A 91 -0.410 -11.850 -3.943 1.00 0.00 C ATOM 525 CD LYS A 91 -0.831 -12.925 -4.953 1.00 0.00 C ATOM 526 CE LYS A 91 -2.202 -12.641 -5.577 1.00 0.00 C ATOM 527 NZ LYS A 91 -2.632 -13.779 -6.418 1.00 0.00 N ATOM 0 H LYS A 91 0.405 -7.407 -4.078 1.00 0.00 H new ATOM 0 HA LYS A 91 -0.597 -9.662 -2.765 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -0.657 -10.271 -5.386 1.00 0.00 H new ATOM 0 HB3 LYS A 91 1.015 -10.649 -5.021 1.00 0.00 H new ATOM 0 HG2 LYS A 91 0.410 -12.238 -3.338 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -1.243 -11.658 -3.266 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -0.083 -12.990 -5.743 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -0.855 -13.895 -4.457 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -2.936 -12.463 -4.791 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -2.154 -11.734 -6.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -3.562 -13.571 -6.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -1.939 -13.930 -7.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -2.697 -14.637 -5.834 1.00 0.00 H new ATOM 541 N ILE A 92 1.703 -9.250 -1.826 1.00 0.00 N ATOM 542 CA ILE A 92 2.963 -9.468 -1.194 1.00 0.00 C ATOM 543 C ILE A 92 3.662 -8.158 -1.083 1.00 0.00 C ATOM 544 O ILE A 92 4.507 -7.775 -1.893 1.00 0.00 O ATOM 545 CB ILE A 92 3.767 -10.564 -1.835 1.00 0.00 C ATOM 546 CG1 ILE A 92 2.873 -11.808 -2.070 1.00 0.00 C ATOM 547 CG2 ILE A 92 5.051 -10.820 -1.020 1.00 0.00 C ATOM 548 CD1 ILE A 92 3.461 -13.155 -1.652 1.00 0.00 C ATOM 0 H ILE A 92 0.939 -9.221 -1.151 1.00 0.00 H new ATOM 0 HA ILE A 92 2.809 -9.853 -0.186 1.00 0.00 H new ATOM 0 HB ILE A 92 4.112 -10.269 -2.826 1.00 0.00 H new ATOM 0 HG12 ILE A 92 1.936 -11.662 -1.532 1.00 0.00 H new ATOM 0 HG13 ILE A 92 2.627 -11.857 -3.131 1.00 0.00 H new ATOM 0 HG21 ILE A 92 5.628 -11.616 -1.491 1.00 0.00 H new ATOM 0 HG22 ILE A 92 5.649 -9.909 -0.987 1.00 0.00 H new ATOM 0 HG23 ILE A 92 4.785 -11.117 -0.005 1.00 0.00 H new ATOM 0 HD11 ILE A 92 2.744 -13.947 -1.866 1.00 0.00 H new ATOM 0 HD12 ILE A 92 4.381 -13.339 -2.208 1.00 0.00 H new ATOM 0 HD13 ILE A 92 3.679 -13.141 -0.584 1.00 0.00 H new ATOM 560 N LEU A 93 3.248 -7.461 -0.017 1.00 0.00 N ATOM 561 CA LEU A 93 3.669 -6.165 0.398 1.00 0.00 C ATOM 562 C LEU A 93 2.638 -5.911 1.393 1.00 0.00 C ATOM 563 O LEU A 93 2.826 -5.235 2.395 1.00 0.00 O ATOM 564 CB LEU A 93 3.394 -5.127 -0.637 1.00 0.00 C ATOM 565 CG LEU A 93 3.011 -3.694 -0.187 1.00 0.00 C ATOM 566 CD1 LEU A 93 3.701 -2.680 -1.101 1.00 0.00 C ATOM 567 CD2 LEU A 93 1.496 -3.422 -0.070 1.00 0.00 C ATOM 0 H LEU A 93 2.548 -7.846 0.617 1.00 0.00 H new ATOM 0 HA LEU A 93 4.725 -6.130 0.666 1.00 0.00 H new ATOM 0 HB2 LEU A 93 4.281 -5.048 -1.266 1.00 0.00 H new ATOM 0 HB3 LEU A 93 2.588 -5.499 -1.269 1.00 0.00 H new ATOM 0 HG LEU A 93 3.368 -3.586 0.837 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.435 -1.670 -0.790 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.782 -2.808 -1.036 1.00 0.00 H new ATOM 0 HD13 LEU A 93 3.378 -2.839 -2.130 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.335 -2.393 0.251 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.022 -3.578 -1.039 1.00 0.00 H new ATOM 0 HD23 LEU A 93 1.060 -4.102 0.661 1.00 0.00 H new ATOM 579 N ALA A 94 1.480 -6.479 1.051 1.00 0.00 N ATOM 580 CA ALA A 94 0.368 -6.703 1.900 1.00 0.00 C ATOM 581 C ALA A 94 0.764 -7.495 3.087 1.00 0.00 C ATOM 582 O ALA A 94 0.116 -7.405 4.126 1.00 0.00 O ATOM 583 CB ALA A 94 -0.576 -7.643 1.191 1.00 0.00 C ATOM 0 H ALA A 94 1.309 -6.808 0.101 1.00 0.00 H new ATOM 0 HA ALA A 94 -0.048 -5.730 2.160 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -1.443 -7.833 1.823 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -0.902 -7.192 0.254 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -0.065 -8.583 0.983 1.00 0.00 H new ATOM 589 N ASP A 95 1.839 -8.302 2.943 1.00 0.00 N ATOM 590 CA ASP A 95 2.436 -8.945 4.047 1.00 0.00 C ATOM 591 C ASP A 95 2.884 -7.860 4.939 1.00 0.00 C ATOM 592 O ASP A 95 2.470 -7.781 6.083 1.00 0.00 O ATOM 593 CB ASP A 95 3.605 -9.880 3.662 1.00 0.00 C ATOM 594 CG ASP A 95 4.910 -9.264 3.148 1.00 0.00 C ATOM 595 OD1 ASP A 95 4.949 -8.822 1.973 1.00 0.00 O ATOM 596 OD2 ASP A 95 5.895 -9.256 3.935 1.00 0.00 O ATOM 0 H ASP A 95 2.286 -8.500 2.048 1.00 0.00 H new ATOM 0 HA ASP A 95 1.717 -9.608 4.529 1.00 0.00 H new ATOM 0 HB2 ASP A 95 3.848 -10.481 4.538 1.00 0.00 H new ATOM 0 HB3 ASP A 95 3.240 -10.565 2.896 1.00 0.00 H new ATOM 601 N MET A 96 3.694 -6.950 4.403 1.00 0.00 N ATOM 602 CA MET A 96 4.256 -5.890 5.195 1.00 0.00 C ATOM 603 C MET A 96 3.180 -4.937 5.681 1.00 0.00 C ATOM 604 O MET A 96 3.395 -4.211 6.642 1.00 0.00 O ATOM 605 CB MET A 96 5.401 -5.176 4.442 1.00 0.00 C ATOM 606 CG MET A 96 5.400 -3.652 4.390 1.00 0.00 C ATOM 607 SD MET A 96 6.795 -3.040 3.405 1.00 0.00 S ATOM 608 CE MET A 96 5.931 -3.029 1.824 1.00 0.00 C ATOM 0 H MET A 96 3.969 -6.936 3.421 1.00 0.00 H new ATOM 0 HA MET A 96 4.702 -6.329 6.087 1.00 0.00 H new ATOM 0 HB2 MET A 96 6.342 -5.491 4.893 1.00 0.00 H new ATOM 0 HB3 MET A 96 5.401 -5.542 3.415 1.00 0.00 H new ATOM 0 HG2 MET A 96 4.463 -3.299 3.960 1.00 0.00 H new ATOM 0 HG3 MET A 96 5.458 -3.249 5.401 1.00 0.00 H new ATOM 0 HE1 MET A 96 6.606 -2.679 1.043 1.00 0.00 H new ATOM 0 HE2 MET A 96 5.594 -4.038 1.587 1.00 0.00 H new ATOM 0 HE3 MET A 96 5.070 -2.364 1.885 1.00 0.00 H new ATOM 618 N ALA A 97 1.969 -4.933 5.081 1.00 0.00 N ATOM 619 CA ALA A 97 0.905 -4.065 5.503 1.00 0.00 C ATOM 620 C ALA A 97 0.483 -4.387 6.900 1.00 0.00 C ATOM 621 O ALA A 97 0.212 -3.484 7.690 1.00 0.00 O ATOM 622 CB ALA A 97 -0.338 -4.136 4.605 1.00 0.00 C ATOM 0 H ALA A 97 1.726 -5.538 4.296 1.00 0.00 H new ATOM 0 HA ALA A 97 1.314 -3.057 5.438 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -1.100 -3.455 4.984 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -0.069 -3.850 3.588 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -0.729 -5.153 4.605 1.00 0.00 H new ATOM 628 N VAL A 98 0.437 -5.691 7.231 1.00 0.00 N ATOM 629 CA VAL A 98 -0.007 -6.127 8.523 1.00 0.00 C ATOM 630 C VAL A 98 1.211 -6.308 9.372 1.00 0.00 C ATOM 631 O VAL A 98 1.256 -5.890 10.528 1.00 0.00 O ATOM 632 CB VAL A 98 -0.720 -7.464 8.498 1.00 0.00 C ATOM 633 CG1 VAL A 98 -1.645 -7.539 9.727 1.00 0.00 C ATOM 634 CG2 VAL A 98 -1.480 -7.657 7.173 1.00 0.00 C ATOM 0 H VAL A 98 0.708 -6.447 6.602 1.00 0.00 H new ATOM 0 HA VAL A 98 -0.706 -5.379 8.897 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.000 -8.281 8.551 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.169 -8.495 9.730 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -1.050 -7.449 10.636 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -2.371 -6.727 9.686 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -1.983 -8.624 7.180 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.219 -6.864 7.059 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -0.776 -7.620 6.341 1.00 0.00 H new ATOM 644 N ARG A 99 2.221 -6.981 8.789 1.00 0.00 N ATOM 645 CA ARG A 99 3.295 -7.588 9.512 1.00 0.00 C ATOM 646 C ARG A 99 4.394 -6.600 9.807 1.00 0.00 C ATOM 647 O ARG A 99 4.993 -6.668 10.879 1.00 0.00 O ATOM 648 CB ARG A 99 3.904 -8.799 8.758 1.00 0.00 C ATOM 649 CG ARG A 99 3.014 -10.067 8.707 1.00 0.00 C ATOM 650 CD ARG A 99 2.079 -10.294 7.497 1.00 0.00 C ATOM 651 NE ARG A 99 1.521 -11.674 7.627 1.00 0.00 N ATOM 652 CZ ARG A 99 0.466 -11.965 8.445 1.00 0.00 C ATOM 653 NH1 ARG A 99 -0.199 -10.981 9.115 1.00 0.00 N ATOM 654 NH2 ARG A 99 0.069 -13.264 8.589 1.00 0.00 N ATOM 0 H ARG A 99 2.291 -7.106 7.779 1.00 0.00 H new ATOM 0 HA ARG A 99 2.859 -7.940 10.447 1.00 0.00 H new ATOM 0 HB2 ARG A 99 4.130 -8.493 7.736 1.00 0.00 H new ATOM 0 HB3 ARG A 99 4.852 -9.060 9.229 1.00 0.00 H new ATOM 0 HG2 ARG A 99 3.674 -10.932 8.776 1.00 0.00 H new ATOM 0 HG3 ARG A 99 2.394 -10.067 9.603 1.00 0.00 H new ATOM 0 HD2 ARG A 99 1.279 -9.554 7.484 1.00 0.00 H new ATOM 0 HD3 ARG A 99 2.627 -10.187 6.561 1.00 0.00 H new ATOM 0 HE ARG A 99 1.944 -12.427 7.085 1.00 0.00 H new ATOM 0 HH11 ARG A 99 0.089 -10.008 9.010 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -0.984 -11.218 9.721 1.00 0.00 H new ATOM 0 HH21 ARG A 99 0.559 -14.005 8.088 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -0.717 -13.493 9.197 1.00 0.00 H new ATOM 668 N ASP A 100 4.688 -5.665 8.872 1.00 0.00 N ATOM 669 CA ASP A 100 5.722 -4.669 9.024 1.00 0.00 C ATOM 670 C ASP A 100 5.163 -3.286 8.804 1.00 0.00 C ATOM 671 O ASP A 100 5.426 -2.700 7.761 1.00 0.00 O ATOM 672 CB ASP A 100 6.827 -4.874 7.974 1.00 0.00 C ATOM 673 CG ASP A 100 8.132 -4.192 8.374 1.00 0.00 C ATOM 674 OD1 ASP A 100 8.183 -3.552 9.457 1.00 0.00 O ATOM 675 OD2 ASP A 100 9.107 -4.305 7.583 1.00 0.00 O ATOM 0 H ASP A 100 4.192 -5.599 7.983 1.00 0.00 H new ATOM 0 HA ASP A 100 6.120 -4.771 10.034 1.00 0.00 H new ATOM 0 HB2 ASP A 100 7.003 -5.941 7.837 1.00 0.00 H new ATOM 0 HB3 ASP A 100 6.492 -4.481 7.014 1.00 0.00 H new ATOM 680 N PRO A 101 4.410 -2.697 9.694 1.00 0.00 N ATOM 681 CA PRO A 101 3.693 -1.475 9.437 1.00 0.00 C ATOM 682 C PRO A 101 4.638 -0.305 9.432 1.00 0.00 C ATOM 683 O PRO A 101 4.200 0.792 9.098 1.00 0.00 O ATOM 684 CB PRO A 101 2.683 -1.368 10.584 1.00 0.00 C ATOM 685 CG PRO A 101 3.246 -2.265 11.691 1.00 0.00 C ATOM 686 CD PRO A 101 4.016 -3.332 10.922 1.00 0.00 C ATOM 0 HA PRO A 101 3.201 -1.474 8.464 1.00 0.00 H new ATOM 0 HB2 PRO A 101 2.580 -0.338 10.925 1.00 0.00 H new ATOM 0 HB3 PRO A 101 1.693 -1.701 10.271 1.00 0.00 H new ATOM 0 HG2 PRO A 101 3.896 -1.709 12.367 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.452 -2.701 12.298 1.00 0.00 H new ATOM 0 HD2 PRO A 101 4.884 -3.674 11.485 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.394 -4.207 10.732 1.00 0.00 H new ATOM 694 N GLN A 102 5.924 -0.513 9.780 1.00 0.00 N ATOM 695 CA GLN A 102 6.929 0.500 9.694 1.00 0.00 C ATOM 696 C GLN A 102 7.206 0.762 8.247 1.00 0.00 C ATOM 697 O GLN A 102 7.296 1.917 7.833 1.00 0.00 O ATOM 698 CB GLN A 102 8.251 0.048 10.349 1.00 0.00 C ATOM 699 CG GLN A 102 9.355 1.112 10.335 1.00 0.00 C ATOM 700 CD GLN A 102 10.617 0.498 10.939 1.00 0.00 C ATOM 701 OE1 GLN A 102 11.577 0.194 10.221 1.00 0.00 O ATOM 702 NE2 GLN A 102 10.601 0.315 12.294 1.00 0.00 N ATOM 0 H GLN A 102 6.271 -1.407 10.129 1.00 0.00 H new ATOM 0 HA GLN A 102 6.565 1.387 10.212 1.00 0.00 H new ATOM 0 HB2 GLN A 102 8.052 -0.240 11.381 1.00 0.00 H new ATOM 0 HB3 GLN A 102 8.613 -0.842 9.834 1.00 0.00 H new ATOM 0 HG2 GLN A 102 9.546 1.448 9.316 1.00 0.00 H new ATOM 0 HG3 GLN A 102 9.047 1.987 10.907 1.00 0.00 H new ATOM 0 HE21 GLN A 102 9.780 0.585 12.835 1.00 0.00 H new ATOM 0 HE22 GLN A 102 11.410 -0.092 12.763 1.00 0.00 H new ATOM 711 N ALA A 103 7.357 -0.313 7.443 1.00 0.00 N ATOM 712 CA ALA A 103 7.823 -0.180 6.102 1.00 0.00 C ATOM 713 C ALA A 103 6.618 -0.057 5.236 1.00 0.00 C ATOM 714 O ALA A 103 6.681 0.560 4.171 1.00 0.00 O ATOM 715 CB ALA A 103 8.684 -1.372 5.676 1.00 0.00 C ATOM 0 H ALA A 103 7.155 -1.271 7.727 1.00 0.00 H new ATOM 0 HA ALA A 103 8.462 0.699 6.012 1.00 0.00 H new ATOM 0 HB1 ALA A 103 9.018 -1.231 4.648 1.00 0.00 H new ATOM 0 HB2 ALA A 103 9.551 -1.448 6.332 1.00 0.00 H new ATOM 0 HB3 ALA A 103 8.097 -2.288 5.744 1.00 0.00 H new ATOM 721 N PHE A 104 5.471 -0.612 5.690 1.00 0.00 N ATOM 722 CA PHE A 104 4.226 -0.243 5.064 1.00 0.00 C ATOM 723 C PHE A 104 4.010 1.244 5.077 1.00 0.00 C ATOM 724 O PHE A 104 3.578 1.797 4.072 1.00 0.00 O ATOM 725 CB PHE A 104 2.987 -0.842 5.734 1.00 0.00 C ATOM 726 CG PHE A 104 1.778 -0.560 4.902 1.00 0.00 C ATOM 727 CD1 PHE A 104 1.683 -1.021 3.599 1.00 0.00 C ATOM 728 CD2 PHE A 104 0.716 0.141 5.445 1.00 0.00 C ATOM 729 CE1 PHE A 104 0.555 -0.766 2.846 1.00 0.00 C ATOM 730 CE2 PHE A 104 -0.414 0.393 4.693 1.00 0.00 C ATOM 731 CZ PHE A 104 -0.494 -0.058 3.392 1.00 0.00 C ATOM 0 H PHE A 104 5.401 -1.285 6.454 1.00 0.00 H new ATOM 0 HA PHE A 104 4.329 -0.636 4.053 1.00 0.00 H new ATOM 0 HB2 PHE A 104 3.113 -1.918 5.857 1.00 0.00 H new ATOM 0 HB3 PHE A 104 2.861 -0.420 6.731 1.00 0.00 H new ATOM 0 HD1 PHE A 104 2.498 -1.584 3.169 1.00 0.00 H new ATOM 0 HD2 PHE A 104 0.771 0.494 6.464 1.00 0.00 H new ATOM 0 HE1 PHE A 104 0.494 -1.121 1.828 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -1.237 0.944 5.124 1.00 0.00 H new ATOM 0 HZ PHE A 104 -1.376 0.143 2.803 1.00 0.00 H new ATOM 741 N GLU A 105 4.310 1.936 6.200 1.00 0.00 N ATOM 742 CA GLU A 105 4.115 3.361 6.282 1.00 0.00 C ATOM 743 C GLU A 105 5.070 4.127 5.411 1.00 0.00 C ATOM 744 O GLU A 105 4.803 5.283 5.094 1.00 0.00 O ATOM 745 CB GLU A 105 4.272 3.916 7.708 1.00 0.00 C ATOM 746 CG GLU A 105 3.001 3.736 8.546 1.00 0.00 C ATOM 747 CD GLU A 105 3.269 4.191 9.975 1.00 0.00 C ATOM 748 OE1 GLU A 105 4.410 4.642 10.259 1.00 0.00 O ATOM 749 OE2 GLU A 105 2.328 4.087 10.808 1.00 0.00 O ATOM 0 H GLU A 105 4.686 1.512 7.048 1.00 0.00 H new ATOM 0 HA GLU A 105 3.089 3.500 5.941 1.00 0.00 H new ATOM 0 HB2 GLU A 105 5.104 3.413 8.201 1.00 0.00 H new ATOM 0 HB3 GLU A 105 4.524 4.975 7.657 1.00 0.00 H new ATOM 0 HG2 GLU A 105 2.183 4.314 8.116 1.00 0.00 H new ATOM 0 HG3 GLU A 105 2.691 2.691 8.537 1.00 0.00 H new ATOM 756 N GLN A 106 6.193 3.511 4.990 1.00 0.00 N ATOM 757 CA GLN A 106 7.117 4.148 4.091 1.00 0.00 C ATOM 758 C GLN A 106 6.569 4.118 2.700 1.00 0.00 C ATOM 759 O GLN A 106 6.731 5.075 1.946 1.00 0.00 O ATOM 760 CB GLN A 106 8.470 3.428 4.022 1.00 0.00 C ATOM 761 CG GLN A 106 9.333 3.672 5.263 1.00 0.00 C ATOM 762 CD GLN A 106 10.596 2.822 5.150 1.00 0.00 C ATOM 763 OE1 GLN A 106 11.344 2.912 4.169 1.00 0.00 O ATOM 764 NE2 GLN A 106 10.826 1.976 6.200 1.00 0.00 N ATOM 0 H GLN A 106 6.464 2.569 5.272 1.00 0.00 H new ATOM 0 HA GLN A 106 7.255 5.160 4.471 1.00 0.00 H new ATOM 0 HB2 GLN A 106 8.302 2.357 3.906 1.00 0.00 H new ATOM 0 HB3 GLN A 106 9.011 3.763 3.137 1.00 0.00 H new ATOM 0 HG2 GLN A 106 9.593 4.728 5.342 1.00 0.00 H new ATOM 0 HG3 GLN A 106 8.781 3.411 6.166 1.00 0.00 H new ATOM 0 HE21 GLN A 106 10.173 1.945 6.983 1.00 0.00 H new ATOM 0 HE22 GLN A 106 11.651 1.376 6.200 1.00 0.00 H new ATOM 773 N VAL A 107 5.905 3.005 2.336 1.00 0.00 N ATOM 774 CA VAL A 107 5.321 2.840 1.027 1.00 0.00 C ATOM 775 C VAL A 107 4.211 3.828 0.895 1.00 0.00 C ATOM 776 O VAL A 107 4.071 4.479 -0.137 1.00 0.00 O ATOM 777 CB VAL A 107 4.771 1.443 0.793 1.00 0.00 C ATOM 778 CG1 VAL A 107 3.866 1.407 -0.457 1.00 0.00 C ATOM 779 CG2 VAL A 107 5.969 0.488 0.651 1.00 0.00 C ATOM 0 H VAL A 107 5.768 2.205 2.954 1.00 0.00 H new ATOM 0 HA VAL A 107 6.104 2.999 0.285 1.00 0.00 H new ATOM 0 HB VAL A 107 4.149 1.134 1.633 1.00 0.00 H new ATOM 0 HG11 VAL A 107 3.486 0.396 -0.602 1.00 0.00 H new ATOM 0 HG12 VAL A 107 3.030 2.093 -0.321 1.00 0.00 H new ATOM 0 HG13 VAL A 107 4.442 1.707 -1.332 1.00 0.00 H new ATOM 0 HG21 VAL A 107 5.608 -0.526 0.482 1.00 0.00 H new ATOM 0 HG22 VAL A 107 6.585 0.800 -0.193 1.00 0.00 H new ATOM 0 HG23 VAL A 107 6.565 0.513 1.564 1.00 0.00 H new ATOM 789 N VAL A 108 3.411 3.961 1.964 1.00 0.00 N ATOM 790 CA VAL A 108 2.278 4.832 2.034 1.00 0.00 C ATOM 791 C VAL A 108 2.720 6.251 1.903 1.00 0.00 C ATOM 792 O VAL A 108 2.044 7.039 1.252 1.00 0.00 O ATOM 793 CB VAL A 108 1.582 4.630 3.360 1.00 0.00 C ATOM 794 CG1 VAL A 108 0.682 5.814 3.742 1.00 0.00 C ATOM 795 CG2 VAL A 108 0.789 3.321 3.261 1.00 0.00 C ATOM 0 H VAL A 108 3.560 3.435 2.825 1.00 0.00 H new ATOM 0 HA VAL A 108 1.589 4.603 1.221 1.00 0.00 H new ATOM 0 HB VAL A 108 2.322 4.571 4.158 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.207 5.615 4.703 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.284 6.720 3.815 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.085 5.949 2.979 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.270 3.138 4.202 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.061 3.397 2.454 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.472 2.496 3.057 1.00 0.00 H new ATOM 805 N ASN A 109 3.868 6.600 2.515 1.00 0.00 N ATOM 806 CA ASN A 109 4.399 7.938 2.502 1.00 0.00 C ATOM 807 C ASN A 109 4.729 8.341 1.097 1.00 0.00 C ATOM 808 O ASN A 109 4.426 9.457 0.674 1.00 0.00 O ATOM 809 CB ASN A 109 5.688 8.049 3.342 1.00 0.00 C ATOM 810 CG ASN A 109 6.217 9.482 3.303 1.00 0.00 C ATOM 811 OD1 ASN A 109 5.568 10.418 3.783 1.00 0.00 O ATOM 812 ND2 ASN A 109 7.444 9.633 2.719 1.00 0.00 N ATOM 0 H ASN A 109 4.445 5.938 3.033 1.00 0.00 H new ATOM 0 HA ASN A 109 3.637 8.591 2.928 1.00 0.00 H new ATOM 0 HB2 ASN A 109 5.487 7.755 4.372 1.00 0.00 H new ATOM 0 HB3 ASN A 109 6.443 7.364 2.957 1.00 0.00 H new ATOM 0 HD21 ASN A 109 7.872 10.557 2.662 1.00 0.00 H new ATOM 0 HD22 ASN A 109 7.932 8.821 2.340 1.00 0.00 H new ATOM 819 N LYS A 110 5.361 7.423 0.342 1.00 0.00 N ATOM 820 CA LYS A 110 5.825 7.697 -0.987 1.00 0.00 C ATOM 821 C LYS A 110 4.685 7.796 -1.952 1.00 0.00 C ATOM 822 O LYS A 110 4.774 8.545 -2.917 1.00 0.00 O ATOM 823 CB LYS A 110 6.741 6.576 -1.502 1.00 0.00 C ATOM 824 CG LYS A 110 8.082 6.520 -0.760 1.00 0.00 C ATOM 825 CD LYS A 110 8.828 5.198 -0.979 1.00 0.00 C ATOM 826 CE LYS A 110 10.107 5.082 -0.145 1.00 0.00 C ATOM 827 NZ LYS A 110 11.086 6.110 -0.557 1.00 0.00 N ATOM 0 H LYS A 110 5.554 6.473 0.659 1.00 0.00 H new ATOM 0 HA LYS A 110 6.366 8.642 -0.928 1.00 0.00 H new ATOM 0 HB2 LYS A 110 6.231 5.618 -1.396 1.00 0.00 H new ATOM 0 HB3 LYS A 110 6.925 6.723 -2.566 1.00 0.00 H new ATOM 0 HG2 LYS A 110 8.711 7.346 -1.093 1.00 0.00 H new ATOM 0 HG3 LYS A 110 7.908 6.661 0.307 1.00 0.00 H new ATOM 0 HD2 LYS A 110 8.165 4.369 -0.733 1.00 0.00 H new ATOM 0 HD3 LYS A 110 9.080 5.101 -2.035 1.00 0.00 H new ATOM 0 HE2 LYS A 110 9.871 5.199 0.913 1.00 0.00 H new ATOM 0 HE3 LYS A 110 10.540 4.089 -0.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 11.978 5.966 -0.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 11.260 6.034 -1.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 10.710 7.055 -0.339 1.00 0.00 H new ATOM 841 N VAL A 111 3.601 7.026 -1.724 1.00 0.00 N ATOM 842 CA VAL A 111 2.469 6.953 -2.611 1.00 0.00 C ATOM 843 C VAL A 111 1.489 8.014 -2.245 1.00 0.00 C ATOM 844 O VAL A 111 0.591 8.320 -3.015 1.00 0.00 O ATOM 845 CB VAL A 111 1.855 5.560 -2.589 1.00 0.00 C ATOM 846 CG1 VAL A 111 0.537 5.476 -3.381 1.00 0.00 C ATOM 847 CG2 VAL A 111 2.881 4.595 -3.205 1.00 0.00 C ATOM 0 H VAL A 111 3.507 6.435 -0.898 1.00 0.00 H new ATOM 0 HA VAL A 111 2.791 7.131 -3.637 1.00 0.00 H new ATOM 0 HB VAL A 111 1.617 5.302 -1.557 1.00 0.00 H new ATOM 0 HG11 VAL A 111 0.146 4.460 -3.330 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -0.190 6.166 -2.953 1.00 0.00 H new ATOM 0 HG13 VAL A 111 0.720 5.742 -4.422 1.00 0.00 H new ATOM 0 HG21 VAL A 111 2.474 3.584 -3.206 1.00 0.00 H new ATOM 0 HG22 VAL A 111 3.098 4.900 -4.229 1.00 0.00 H new ATOM 0 HG23 VAL A 111 3.799 4.616 -2.618 1.00 0.00 H new ATOM 857 N LYS A 112 1.650 8.661 -1.087 1.00 0.00 N ATOM 858 CA LYS A 112 0.783 9.742 -0.726 1.00 0.00 C ATOM 859 C LYS A 112 1.240 10.945 -1.488 1.00 0.00 C ATOM 860 O LYS A 112 0.455 11.834 -1.796 1.00 0.00 O ATOM 861 CB LYS A 112 0.807 9.942 0.812 1.00 0.00 C ATOM 862 CG LYS A 112 0.398 11.312 1.376 1.00 0.00 C ATOM 863 CD LYS A 112 1.576 12.273 1.615 1.00 0.00 C ATOM 864 CE LYS A 112 2.507 11.868 2.762 1.00 0.00 C ATOM 865 NZ LYS A 112 3.590 12.866 2.902 1.00 0.00 N ATOM 0 H LYS A 112 2.372 8.443 -0.401 1.00 0.00 H new ATOM 0 HA LYS A 112 -0.257 9.542 -0.984 1.00 0.00 H new ATOM 0 HB2 LYS A 112 0.152 9.191 1.255 1.00 0.00 H new ATOM 0 HB3 LYS A 112 1.818 9.728 1.159 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -0.305 11.781 0.687 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -0.131 11.162 2.317 1.00 0.00 H new ATOM 0 HD2 LYS A 112 2.161 12.345 0.698 1.00 0.00 H new ATOM 0 HD3 LYS A 112 1.180 13.268 1.820 1.00 0.00 H new ATOM 0 HE2 LYS A 112 1.943 11.796 3.692 1.00 0.00 H new ATOM 0 HE3 LYS A 112 2.930 10.882 2.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 4.473 12.385 3.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 3.725 13.361 1.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 3.334 13.555 3.638 1.00 0.00 H new ATOM 879 N GLU A 113 2.528 10.973 -1.844 1.00 0.00 N ATOM 880 CA GLU A 113 3.127 12.059 -2.551 1.00 0.00 C ATOM 881 C GLU A 113 3.018 11.829 -4.011 1.00 0.00 C ATOM 882 O GLU A 113 2.817 12.749 -4.800 1.00 0.00 O ATOM 883 CB GLU A 113 4.609 12.023 -2.222 1.00 0.00 C ATOM 884 CG GLU A 113 5.478 13.001 -3.009 1.00 0.00 C ATOM 885 CD GLU A 113 6.895 12.913 -2.465 1.00 0.00 C ATOM 886 OE1 GLU A 113 7.496 11.809 -2.553 1.00 0.00 O ATOM 887 OE2 GLU A 113 7.395 13.949 -1.953 1.00 0.00 O ATOM 0 H GLU A 113 3.178 10.216 -1.635 1.00 0.00 H new ATOM 0 HA GLU A 113 2.645 12.998 -2.278 1.00 0.00 H new ATOM 0 HB2 GLU A 113 4.733 12.228 -1.159 1.00 0.00 H new ATOM 0 HB3 GLU A 113 4.978 11.013 -2.397 1.00 0.00 H new ATOM 0 HG2 GLU A 113 5.462 12.756 -4.071 1.00 0.00 H new ATOM 0 HG3 GLU A 113 5.094 14.016 -2.910 1.00 0.00 H new ATOM 894 N ALA A 114 3.190 10.557 -4.379 1.00 0.00 N ATOM 895 CA ALA A 114 3.175 10.134 -5.754 1.00 0.00 C ATOM 896 C ALA A 114 1.777 10.161 -6.286 1.00 0.00 C ATOM 897 O ALA A 114 1.564 10.410 -7.472 1.00 0.00 O ATOM 898 CB ALA A 114 3.700 8.711 -5.957 1.00 0.00 C ATOM 0 H ALA A 114 3.344 9.798 -3.716 1.00 0.00 H new ATOM 0 HA ALA A 114 3.829 10.829 -6.280 1.00 0.00 H new ATOM 0 HB1 ALA A 114 3.661 8.456 -7.016 1.00 0.00 H new ATOM 0 HB2 ALA A 114 4.730 8.650 -5.607 1.00 0.00 H new ATOM 0 HB3 ALA A 114 3.083 8.012 -5.393 1.00 0.00 H new ATOM 904 N LEU A 115 0.786 9.934 -5.400 1.00 0.00 N ATOM 905 CA LEU A 115 -0.604 10.086 -5.740 1.00 0.00 C ATOM 906 C LEU A 115 -0.809 11.551 -5.767 1.00 0.00 C ATOM 907 O LEU A 115 -1.506 12.077 -6.633 1.00 0.00 O ATOM 908 CB LEU A 115 -1.549 9.419 -4.732 1.00 0.00 C ATOM 909 CG LEU A 115 -3.025 9.709 -5.021 1.00 0.00 C ATOM 910 CD1 LEU A 115 -3.519 9.166 -6.376 1.00 0.00 C ATOM 911 CD2 LEU A 115 -3.920 9.187 -3.887 1.00 0.00 C ATOM 0 H LEU A 115 0.948 9.642 -4.436 1.00 0.00 H new ATOM 0 HA LEU A 115 -0.833 9.599 -6.688 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -1.386 8.341 -4.746 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -1.305 9.766 -3.728 1.00 0.00 H new ATOM 0 HG LEU A 115 -3.099 10.795 -5.080 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -4.573 9.413 -6.504 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -2.940 9.617 -7.182 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -3.394 8.083 -6.402 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -4.963 9.406 -4.117 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -3.789 8.110 -3.786 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -3.644 9.675 -2.952 1.00 0.00 H new