USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 560 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 NoAdj-H: A 108 ASNHD21 : A 108 ASN ND2 : A 2 CACA :(H bumps) USER MOD Set 1.1: A 141 SER OG : rot 40:sc= -1.09! USER MOD Set 1.2: A 157 MET CE :methyl -118:sc= -4.16! (180deg=-8.04!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= -0.0889 X(o=-0.089,f=0) USER MOD Single : A 101 CYS SG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 THR OG1 : rot -66:sc= 1.12 USER MOD Single : A 128 HIS : no HD1:sc= -0.203 X(o=-0.2,f=-0.54) USER MOD Single : A 138 MET CE :methyl -109:sc= -1.72 (180deg=-3.24!) USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 144 ASN :FLIP amide:sc= -1.95 F(o=-4.3!,f=-2) USER MOD Single : A 145 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 156 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 158 MET CE :methyl -179:sc= 0 (180deg=-0.00163) USER MOD Single : A 162 GLN : amide:sc= -0.0601 K(o=-0.06,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 88 64.311 14.853 -16.705 1.00 0.00 N ATOM 2 CA GLU A 88 63.109 14.049 -17.078 1.00 0.00 C ATOM 3 C GLU A 88 61.893 14.504 -16.267 1.00 0.00 C ATOM 4 O GLU A 88 61.228 13.713 -15.630 1.00 0.00 O ATOM 5 CB GLU A 88 63.466 12.600 -16.737 1.00 0.00 C ATOM 6 CG GLU A 88 64.026 11.906 -17.979 1.00 0.00 C ATOM 7 CD GLU A 88 63.615 10.433 -17.972 1.00 0.00 C ATOM 8 OE1 GLU A 88 63.351 9.917 -16.899 1.00 0.00 O ATOM 9 OE2 GLU A 88 63.570 9.844 -19.041 1.00 0.00 O ATOM 0 HA GLU A 88 62.853 14.166 -18.131 1.00 0.00 H new ATOM 0 HB2 GLU A 88 64.200 12.575 -15.932 1.00 0.00 H new ATOM 0 HB3 GLU A 88 62.582 12.071 -16.379 1.00 0.00 H new ATOM 0 HG2 GLU A 88 63.653 12.394 -18.880 1.00 0.00 H new ATOM 0 HG3 GLU A 88 65.113 11.991 -17.997 1.00 0.00 H new ATOM 16 N ASP A 89 61.595 15.775 -16.287 1.00 0.00 N ATOM 17 CA ASP A 89 60.421 16.276 -15.517 1.00 0.00 C ATOM 18 C ASP A 89 60.651 16.087 -14.015 1.00 0.00 C ATOM 19 O ASP A 89 61.339 15.179 -13.592 1.00 0.00 O ATOM 20 CB ASP A 89 59.246 15.419 -15.990 1.00 0.00 C ATOM 21 CG ASP A 89 58.152 16.322 -16.567 1.00 0.00 C ATOM 22 OD1 ASP A 89 58.359 16.854 -17.645 1.00 0.00 O ATOM 23 OD2 ASP A 89 57.128 16.466 -15.919 1.00 0.00 O ATOM 0 H ASP A 89 62.113 16.487 -16.802 1.00 0.00 H new ATOM 0 HA ASP A 89 60.244 17.339 -15.679 1.00 0.00 H new ATOM 0 HB2 ASP A 89 59.582 14.709 -16.746 1.00 0.00 H new ATOM 0 HB3 ASP A 89 58.850 14.836 -15.158 1.00 0.00 H new ATOM 28 N ALA A 90 60.077 16.936 -13.206 1.00 0.00 N ATOM 29 CA ALA A 90 60.260 16.801 -11.733 1.00 0.00 C ATOM 30 C ALA A 90 59.016 16.169 -11.103 1.00 0.00 C ATOM 31 O ALA A 90 57.915 16.320 -11.595 1.00 0.00 O ATOM 32 CB ALA A 90 60.453 18.229 -11.223 1.00 0.00 C ATOM 0 H ALA A 90 59.490 17.716 -13.501 1.00 0.00 H new ATOM 0 HA ALA A 90 61.105 16.162 -11.479 1.00 0.00 H new ATOM 0 HB1 ALA A 90 60.595 18.213 -10.142 1.00 0.00 H new ATOM 0 HB2 ALA A 90 61.330 18.669 -11.698 1.00 0.00 H new ATOM 0 HB3 ALA A 90 59.572 18.824 -11.465 1.00 0.00 H new ATOM 38 N LYS A 91 59.182 15.461 -10.021 1.00 0.00 N ATOM 39 CA LYS A 91 58.009 14.820 -9.364 1.00 0.00 C ATOM 40 C LYS A 91 57.343 15.800 -8.395 1.00 0.00 C ATOM 41 O LYS A 91 56.161 15.715 -8.127 1.00 0.00 O ATOM 42 CB LYS A 91 58.586 13.626 -8.603 1.00 0.00 C ATOM 43 CG LYS A 91 58.628 12.405 -9.524 1.00 0.00 C ATOM 44 CD LYS A 91 57.255 11.729 -9.535 1.00 0.00 C ATOM 45 CE LYS A 91 56.912 11.291 -10.960 1.00 0.00 C ATOM 46 NZ LYS A 91 56.831 9.806 -10.897 1.00 0.00 N ATOM 0 H LYS A 91 60.079 15.298 -9.563 1.00 0.00 H new ATOM 0 HA LYS A 91 57.248 14.518 -10.083 1.00 0.00 H new ATOM 0 HB2 LYS A 91 59.589 13.860 -8.245 1.00 0.00 H new ATOM 0 HB3 LYS A 91 57.976 13.412 -7.725 1.00 0.00 H new ATOM 0 HG2 LYS A 91 58.905 12.707 -10.534 1.00 0.00 H new ATOM 0 HG3 LYS A 91 59.388 11.703 -9.181 1.00 0.00 H new ATOM 0 HD2 LYS A 91 57.258 10.866 -8.869 1.00 0.00 H new ATOM 0 HD3 LYS A 91 56.496 12.417 -9.162 1.00 0.00 H new ATOM 0 HE2 LYS A 91 55.968 11.724 -11.290 1.00 0.00 H new ATOM 0 HE3 LYS A 91 57.675 11.615 -11.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 56.599 9.431 -11.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 57.746 9.421 -10.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 56.091 9.527 -10.221 1.00 0.00 H new ATOM 60 N GLY A 92 58.091 16.729 -7.868 1.00 0.00 N ATOM 61 CA GLY A 92 57.496 17.710 -6.918 1.00 0.00 C ATOM 62 C GLY A 92 57.297 17.043 -5.556 1.00 0.00 C ATOM 63 O GLY A 92 58.214 16.479 -4.991 1.00 0.00 O ATOM 0 H GLY A 92 59.087 16.851 -8.053 1.00 0.00 H new ATOM 0 HA2 GLY A 92 58.148 18.578 -6.818 1.00 0.00 H new ATOM 0 HA3 GLY A 92 56.542 18.071 -7.301 1.00 0.00 H new ATOM 67 N LYS A 93 56.107 17.100 -5.025 1.00 0.00 N ATOM 68 CA LYS A 93 55.849 16.468 -3.699 1.00 0.00 C ATOM 69 C LYS A 93 57.010 16.754 -2.743 1.00 0.00 C ATOM 70 O LYS A 93 57.765 17.687 -2.930 1.00 0.00 O ATOM 71 CB LYS A 93 55.747 14.969 -3.990 1.00 0.00 C ATOM 72 CG LYS A 93 54.286 14.528 -3.891 1.00 0.00 C ATOM 73 CD LYS A 93 54.102 13.200 -4.627 1.00 0.00 C ATOM 74 CE LYS A 93 52.797 13.236 -5.427 1.00 0.00 C ATOM 75 NZ LYS A 93 52.937 12.152 -6.440 1.00 0.00 N ATOM 0 H LYS A 93 55.301 17.557 -5.452 1.00 0.00 H new ATOM 0 HA LYS A 93 54.946 16.853 -3.224 1.00 0.00 H new ATOM 0 HB2 LYS A 93 56.136 14.754 -4.985 1.00 0.00 H new ATOM 0 HB3 LYS A 93 56.356 14.408 -3.281 1.00 0.00 H new ATOM 0 HG2 LYS A 93 53.998 14.419 -2.845 1.00 0.00 H new ATOM 0 HG3 LYS A 93 53.636 15.288 -4.323 1.00 0.00 H new ATOM 0 HD2 LYS A 93 54.945 13.022 -5.294 1.00 0.00 H new ATOM 0 HD3 LYS A 93 54.081 12.376 -3.913 1.00 0.00 H new ATOM 0 HE2 LYS A 93 51.934 13.066 -4.783 1.00 0.00 H new ATOM 0 HE3 LYS A 93 52.653 14.206 -5.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 52.080 12.114 -7.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 53.762 12.345 -7.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 53.066 11.240 -5.957 1.00 0.00 H new ATOM 89 N SER A 94 57.160 15.959 -1.720 1.00 0.00 N ATOM 90 CA SER A 94 58.274 16.189 -0.756 1.00 0.00 C ATOM 91 C SER A 94 58.312 15.071 0.288 1.00 0.00 C ATOM 92 O SER A 94 57.345 14.361 0.486 1.00 0.00 O ATOM 93 CB SER A 94 57.955 17.530 -0.097 1.00 0.00 C ATOM 94 OG SER A 94 59.081 18.391 -0.216 1.00 0.00 O ATOM 0 H SER A 94 56.561 15.161 -1.509 1.00 0.00 H new ATOM 0 HA SER A 94 59.248 16.197 -1.245 1.00 0.00 H new ATOM 0 HB2 SER A 94 57.084 17.983 -0.571 1.00 0.00 H new ATOM 0 HB3 SER A 94 57.705 17.382 0.954 1.00 0.00 H new ATOM 0 HG SER A 94 58.879 19.253 0.204 1.00 0.00 H new ATOM 100 N GLU A 95 59.420 14.908 0.958 1.00 0.00 N ATOM 101 CA GLU A 95 59.518 13.834 1.989 1.00 0.00 C ATOM 102 C GLU A 95 58.338 13.922 2.960 1.00 0.00 C ATOM 103 O GLU A 95 57.728 12.929 3.301 1.00 0.00 O ATOM 104 CB GLU A 95 60.835 14.103 2.719 1.00 0.00 C ATOM 105 CG GLU A 95 61.476 12.775 3.125 1.00 0.00 C ATOM 106 CD GLU A 95 62.390 12.283 2.002 1.00 0.00 C ATOM 107 OE1 GLU A 95 62.139 12.639 0.862 1.00 0.00 O ATOM 108 OE2 GLU A 95 63.326 11.561 2.301 1.00 0.00 O ATOM 0 H GLU A 95 60.262 15.471 0.837 1.00 0.00 H new ATOM 0 HA GLU A 95 59.492 12.837 1.549 1.00 0.00 H new ATOM 0 HB2 GLU A 95 61.512 14.663 2.074 1.00 0.00 H new ATOM 0 HB3 GLU A 95 60.655 14.716 3.602 1.00 0.00 H new ATOM 0 HG2 GLU A 95 62.048 12.902 4.044 1.00 0.00 H new ATOM 0 HG3 GLU A 95 60.703 12.034 3.330 1.00 0.00 H new ATOM 115 N GLU A 96 58.018 15.105 3.409 1.00 0.00 N ATOM 116 CA GLU A 96 56.880 15.267 4.361 1.00 0.00 C ATOM 117 C GLU A 96 55.712 14.361 3.960 1.00 0.00 C ATOM 118 O GLU A 96 55.334 13.462 4.685 1.00 0.00 O ATOM 119 CB GLU A 96 56.479 16.738 4.248 1.00 0.00 C ATOM 120 CG GLU A 96 56.010 17.246 5.612 1.00 0.00 C ATOM 121 CD GLU A 96 57.106 17.011 6.652 1.00 0.00 C ATOM 122 OE1 GLU A 96 58.217 16.704 6.254 1.00 0.00 O ATOM 123 OE2 GLU A 96 56.815 17.142 7.830 1.00 0.00 O ATOM 0 H GLU A 96 58.497 15.970 3.157 1.00 0.00 H new ATOM 0 HA GLU A 96 57.155 14.993 5.380 1.00 0.00 H new ATOM 0 HB2 GLU A 96 57.325 17.330 3.899 1.00 0.00 H new ATOM 0 HB3 GLU A 96 55.683 16.853 3.512 1.00 0.00 H new ATOM 0 HG2 GLU A 96 55.772 18.308 5.553 1.00 0.00 H new ATOM 0 HG3 GLU A 96 55.097 16.731 5.909 1.00 0.00 H new ATOM 130 N GLU A 97 55.136 14.592 2.812 1.00 0.00 N ATOM 131 CA GLU A 97 53.992 13.744 2.368 1.00 0.00 C ATOM 132 C GLU A 97 54.348 12.260 2.503 1.00 0.00 C ATOM 133 O GLU A 97 53.671 11.509 3.176 1.00 0.00 O ATOM 134 CB GLU A 97 53.770 14.113 0.901 1.00 0.00 C ATOM 135 CG GLU A 97 52.332 14.596 0.707 1.00 0.00 C ATOM 136 CD GLU A 97 52.139 15.931 1.428 1.00 0.00 C ATOM 137 OE1 GLU A 97 53.098 16.679 1.516 1.00 0.00 O ATOM 138 OE2 GLU A 97 51.033 16.183 1.879 1.00 0.00 O ATOM 0 H GLU A 97 55.407 15.330 2.163 1.00 0.00 H new ATOM 0 HA GLU A 97 53.098 13.910 2.969 1.00 0.00 H new ATOM 0 HB2 GLU A 97 54.470 14.893 0.601 1.00 0.00 H new ATOM 0 HB3 GLU A 97 53.964 13.249 0.265 1.00 0.00 H new ATOM 0 HG2 GLU A 97 52.116 14.710 -0.355 1.00 0.00 H new ATOM 0 HG3 GLU A 97 51.633 13.856 1.097 1.00 0.00 H new ATOM 145 N LEU A 98 55.406 11.834 1.869 1.00 0.00 N ATOM 146 CA LEU A 98 55.803 10.399 1.964 1.00 0.00 C ATOM 147 C LEU A 98 55.843 9.960 3.431 1.00 0.00 C ATOM 148 O LEU A 98 55.338 8.916 3.790 1.00 0.00 O ATOM 149 CB LEU A 98 57.200 10.331 1.346 1.00 0.00 C ATOM 150 CG LEU A 98 57.086 9.947 -0.130 1.00 0.00 C ATOM 151 CD1 LEU A 98 57.146 11.209 -0.994 1.00 0.00 C ATOM 152 CD2 LEU A 98 58.244 9.018 -0.505 1.00 0.00 C ATOM 0 H LEU A 98 56.012 12.415 1.290 1.00 0.00 H new ATOM 0 HA LEU A 98 55.100 9.741 1.453 1.00 0.00 H new ATOM 0 HB2 LEU A 98 57.700 11.294 1.445 1.00 0.00 H new ATOM 0 HB3 LEU A 98 57.809 9.600 1.877 1.00 0.00 H new ATOM 0 HG LEU A 98 56.138 9.436 -0.300 1.00 0.00 H new ATOM 0 HD11 LEU A 98 57.065 10.934 -2.046 1.00 0.00 H new ATOM 0 HD12 LEU A 98 56.323 11.872 -0.727 1.00 0.00 H new ATOM 0 HD13 LEU A 98 58.093 11.721 -0.825 1.00 0.00 H new ATOM 0 HD21 LEU A 98 58.164 8.743 -1.557 1.00 0.00 H new ATOM 0 HD22 LEU A 98 59.191 9.530 -0.335 1.00 0.00 H new ATOM 0 HD23 LEU A 98 58.202 8.118 0.109 1.00 0.00 H new ATOM 164 N ALA A 99 56.443 10.750 4.279 1.00 0.00 N ATOM 165 CA ALA A 99 56.518 10.378 5.723 1.00 0.00 C ATOM 166 C ALA A 99 55.166 9.840 6.203 1.00 0.00 C ATOM 167 O ALA A 99 55.064 8.726 6.678 1.00 0.00 O ATOM 168 CB ALA A 99 56.864 11.678 6.449 1.00 0.00 C ATOM 0 H ALA A 99 56.885 11.637 4.036 1.00 0.00 H new ATOM 0 HA ALA A 99 57.255 9.597 5.910 1.00 0.00 H new ATOM 0 HB1 ALA A 99 56.937 11.488 7.520 1.00 0.00 H new ATOM 0 HB2 ALA A 99 57.817 12.057 6.081 1.00 0.00 H new ATOM 0 HB3 ALA A 99 56.084 12.417 6.264 1.00 0.00 H new ATOM 174 N ASN A 100 54.130 10.625 6.089 1.00 0.00 N ATOM 175 CA ASN A 100 52.787 10.161 6.543 1.00 0.00 C ATOM 176 C ASN A 100 52.437 8.822 5.888 1.00 0.00 C ATOM 177 O ASN A 100 52.078 7.870 6.553 1.00 0.00 O ATOM 178 CB ASN A 100 51.815 11.251 6.087 1.00 0.00 C ATOM 179 CG ASN A 100 51.812 12.391 7.104 1.00 0.00 C ATOM 180 OD1 ASN A 100 50.926 12.480 7.932 1.00 0.00 O ATOM 181 ND2 ASN A 100 52.771 13.276 7.079 1.00 0.00 N ATOM 0 H ASN A 100 54.155 11.568 5.701 1.00 0.00 H new ATOM 0 HA ASN A 100 52.749 10.005 7.621 1.00 0.00 H new ATOM 0 HB2 ASN A 100 52.107 11.626 5.106 1.00 0.00 H new ATOM 0 HB3 ASN A 100 50.811 10.838 5.985 1.00 0.00 H new ATOM 0 HD21 ASN A 100 52.777 14.041 7.754 1.00 0.00 H new ATOM 0 HD22 ASN A 100 53.515 13.202 6.385 1.00 0.00 H new ATOM 188 N CYS A 101 52.536 8.742 4.590 1.00 0.00 N ATOM 189 CA CYS A 101 52.205 7.466 3.893 1.00 0.00 C ATOM 190 C CYS A 101 52.807 6.275 4.645 1.00 0.00 C ATOM 191 O CYS A 101 52.276 5.183 4.624 1.00 0.00 O ATOM 192 CB CYS A 101 52.837 7.598 2.508 1.00 0.00 C ATOM 193 SG CYS A 101 51.563 8.052 1.304 1.00 0.00 S ATOM 0 H CYS A 101 52.832 9.505 3.981 1.00 0.00 H new ATOM 0 HA CYS A 101 51.130 7.294 3.839 1.00 0.00 H new ATOM 0 HB2 CYS A 101 53.622 8.354 2.525 1.00 0.00 H new ATOM 0 HB3 CYS A 101 53.306 6.658 2.220 1.00 0.00 H new ATOM 0 HG CYS A 101 52.100 8.167 0.126 1.00 0.00 H new ATOM 199 N PHE A 102 53.915 6.476 5.306 1.00 0.00 N ATOM 200 CA PHE A 102 54.551 5.353 6.053 1.00 0.00 C ATOM 201 C PHE A 102 53.490 4.541 6.803 1.00 0.00 C ATOM 202 O PHE A 102 53.332 3.356 6.586 1.00 0.00 O ATOM 203 CB PHE A 102 55.506 6.020 7.042 1.00 0.00 C ATOM 204 CG PHE A 102 56.002 4.989 8.029 1.00 0.00 C ATOM 205 CD1 PHE A 102 55.265 4.720 9.189 1.00 0.00 C ATOM 206 CD2 PHE A 102 57.196 4.303 7.782 1.00 0.00 C ATOM 207 CE1 PHE A 102 55.724 3.762 10.103 1.00 0.00 C ATOM 208 CE2 PHE A 102 57.654 3.345 8.695 1.00 0.00 C ATOM 209 CZ PHE A 102 56.918 3.075 9.855 1.00 0.00 C ATOM 0 H PHE A 102 54.407 7.368 5.361 1.00 0.00 H new ATOM 0 HA PHE A 102 55.068 4.662 5.387 1.00 0.00 H new ATOM 0 HB2 PHE A 102 56.347 6.465 6.510 1.00 0.00 H new ATOM 0 HB3 PHE A 102 54.998 6.828 7.567 1.00 0.00 H new ATOM 0 HD1 PHE A 102 54.344 5.250 9.379 1.00 0.00 H new ATOM 0 HD2 PHE A 102 57.764 4.512 6.888 1.00 0.00 H new ATOM 0 HE1 PHE A 102 55.157 3.554 10.998 1.00 0.00 H new ATOM 0 HE2 PHE A 102 58.575 2.814 8.504 1.00 0.00 H new ATOM 0 HZ PHE A 102 57.272 2.336 10.559 1.00 0.00 H new ATOM 219 N ARG A 103 52.767 5.169 7.691 1.00 0.00 N ATOM 220 CA ARG A 103 51.722 4.432 8.461 1.00 0.00 C ATOM 221 C ARG A 103 50.713 3.783 7.510 1.00 0.00 C ATOM 222 O ARG A 103 50.231 2.695 7.754 1.00 0.00 O ATOM 223 CB ARG A 103 51.040 5.497 9.322 1.00 0.00 C ATOM 224 CG ARG A 103 50.807 4.942 10.730 1.00 0.00 C ATOM 225 CD ARG A 103 49.772 3.817 10.670 1.00 0.00 C ATOM 226 NE ARG A 103 49.522 3.446 12.090 1.00 0.00 N ATOM 227 CZ ARG A 103 48.689 4.147 12.809 1.00 0.00 C ATOM 228 NH1 ARG A 103 47.406 3.921 12.728 1.00 0.00 N ATOM 229 NH2 ARG A 103 49.139 5.075 13.610 1.00 0.00 N ATOM 0 H ARG A 103 52.854 6.160 7.917 1.00 0.00 H new ATOM 0 HA ARG A 103 52.146 3.629 9.063 1.00 0.00 H new ATOM 0 HB2 ARG A 103 51.660 6.392 9.370 1.00 0.00 H new ATOM 0 HB3 ARG A 103 50.091 5.790 8.873 1.00 0.00 H new ATOM 0 HG2 ARG A 103 51.743 4.568 11.144 1.00 0.00 H new ATOM 0 HG3 ARG A 103 50.460 5.735 11.392 1.00 0.00 H new ATOM 0 HD2 ARG A 103 48.856 4.149 10.182 1.00 0.00 H new ATOM 0 HD3 ARG A 103 50.146 2.967 10.100 1.00 0.00 H new ATOM 0 HE ARG A 103 50.001 2.645 12.500 1.00 0.00 H new ATOM 0 HH11 ARG A 103 47.054 3.196 12.102 1.00 0.00 H new ATOM 0 HH12 ARG A 103 46.755 4.469 13.290 1.00 0.00 H new ATOM 0 HH21 ARG A 103 50.142 5.252 13.673 1.00 0.00 H new ATOM 0 HH22 ARG A 103 48.488 5.623 14.172 1.00 0.00 H new ATOM 243 N ILE A 104 50.389 4.436 6.428 1.00 0.00 N ATOM 244 CA ILE A 104 49.412 3.847 5.470 1.00 0.00 C ATOM 245 C ILE A 104 49.906 2.478 4.996 1.00 0.00 C ATOM 246 O ILE A 104 49.127 1.602 4.677 1.00 0.00 O ATOM 247 CB ILE A 104 49.354 4.833 4.305 1.00 0.00 C ATOM 248 CG1 ILE A 104 48.891 6.199 4.817 1.00 0.00 C ATOM 249 CG2 ILE A 104 48.366 4.322 3.256 1.00 0.00 C ATOM 250 CD1 ILE A 104 47.536 6.053 5.508 1.00 0.00 C ATOM 0 H ILE A 104 50.758 5.350 6.166 1.00 0.00 H new ATOM 0 HA ILE A 104 48.430 3.694 5.918 1.00 0.00 H new ATOM 0 HB ILE A 104 50.344 4.928 3.858 1.00 0.00 H new ATOM 0 HG12 ILE A 104 49.624 6.606 5.514 1.00 0.00 H new ATOM 0 HG13 ILE A 104 48.814 6.903 3.988 1.00 0.00 H new ATOM 0 HG21 ILE A 104 48.323 5.025 2.424 1.00 0.00 H new ATOM 0 HG22 ILE A 104 48.693 3.348 2.892 1.00 0.00 H new ATOM 0 HG23 ILE A 104 47.376 4.229 3.703 1.00 0.00 H new ATOM 0 HD11 ILE A 104 47.207 7.026 5.872 1.00 0.00 H new ATOM 0 HD12 ILE A 104 46.805 5.665 4.798 1.00 0.00 H new ATOM 0 HD13 ILE A 104 47.628 5.363 6.347 1.00 0.00 H new ATOM 262 N PHE A 105 51.196 2.287 4.953 1.00 0.00 N ATOM 263 CA PHE A 105 51.742 0.974 4.506 1.00 0.00 C ATOM 264 C PHE A 105 51.632 -0.049 5.637 1.00 0.00 C ATOM 265 O PHE A 105 51.076 -1.117 5.472 1.00 0.00 O ATOM 266 CB PHE A 105 53.209 1.245 4.175 1.00 0.00 C ATOM 267 CG PHE A 105 53.358 1.508 2.697 1.00 0.00 C ATOM 268 CD1 PHE A 105 52.292 2.055 1.971 1.00 0.00 C ATOM 269 CD2 PHE A 105 54.560 1.203 2.051 1.00 0.00 C ATOM 270 CE1 PHE A 105 52.432 2.298 0.599 1.00 0.00 C ATOM 271 CE2 PHE A 105 54.700 1.445 0.680 1.00 0.00 C ATOM 272 CZ PHE A 105 53.636 1.992 -0.046 1.00 0.00 C ATOM 0 H PHE A 105 51.896 2.984 5.208 1.00 0.00 H new ATOM 0 HA PHE A 105 51.200 0.570 3.651 1.00 0.00 H new ATOM 0 HB2 PHE A 105 53.568 2.102 4.744 1.00 0.00 H new ATOM 0 HB3 PHE A 105 53.821 0.391 4.465 1.00 0.00 H new ATOM 0 HD1 PHE A 105 51.363 2.289 2.469 1.00 0.00 H new ATOM 0 HD2 PHE A 105 55.381 0.780 2.611 1.00 0.00 H new ATOM 0 HE1 PHE A 105 51.611 2.721 0.039 1.00 0.00 H new ATOM 0 HE2 PHE A 105 55.629 1.210 0.182 1.00 0.00 H new ATOM 0 HZ PHE A 105 53.744 2.178 -1.104 1.00 0.00 H new ATOM 282 N ASP A 106 52.160 0.272 6.788 1.00 0.00 N ATOM 283 CA ASP A 106 52.086 -0.678 7.934 1.00 0.00 C ATOM 284 C ASP A 106 50.635 -0.824 8.399 1.00 0.00 C ATOM 285 O ASP A 106 50.184 -0.126 9.285 1.00 0.00 O ATOM 286 CB ASP A 106 52.942 -0.043 9.030 1.00 0.00 C ATOM 287 CG ASP A 106 53.449 -1.132 9.976 1.00 0.00 C ATOM 288 OD1 ASP A 106 54.465 -1.732 9.667 1.00 0.00 O ATOM 289 OD2 ASP A 106 52.812 -1.349 10.995 1.00 0.00 O ATOM 0 H ASP A 106 52.639 1.151 6.983 1.00 0.00 H new ATOM 0 HA ASP A 106 52.439 -1.675 7.672 1.00 0.00 H new ATOM 0 HB2 ASP A 106 53.784 0.489 8.586 1.00 0.00 H new ATOM 0 HB3 ASP A 106 52.357 0.691 9.584 1.00 0.00 H new ATOM 294 N LYS A 107 49.899 -1.720 7.803 1.00 0.00 N ATOM 295 CA LYS A 107 48.476 -1.905 8.206 1.00 0.00 C ATOM 296 C LYS A 107 48.378 -2.852 9.407 1.00 0.00 C ATOM 297 O LYS A 107 47.309 -3.095 9.931 1.00 0.00 O ATOM 298 CB LYS A 107 47.796 -2.515 6.979 1.00 0.00 C ATOM 299 CG LYS A 107 47.357 -1.396 6.032 1.00 0.00 C ATOM 300 CD LYS A 107 47.217 -1.948 4.612 1.00 0.00 C ATOM 301 CE LYS A 107 46.571 -0.888 3.715 1.00 0.00 C ATOM 302 NZ LYS A 107 47.175 -1.098 2.368 1.00 0.00 N ATOM 0 H LYS A 107 50.221 -2.333 7.054 1.00 0.00 H new ATOM 0 HA LYS A 107 48.008 -0.969 8.509 1.00 0.00 H new ATOM 0 HB2 LYS A 107 48.482 -3.191 6.468 1.00 0.00 H new ATOM 0 HB3 LYS A 107 46.933 -3.107 7.284 1.00 0.00 H new ATOM 0 HG2 LYS A 107 46.408 -0.976 6.365 1.00 0.00 H new ATOM 0 HG3 LYS A 107 48.086 -0.586 6.048 1.00 0.00 H new ATOM 0 HD2 LYS A 107 48.196 -2.225 4.220 1.00 0.00 H new ATOM 0 HD3 LYS A 107 46.609 -2.853 4.620 1.00 0.00 H new ATOM 0 HE2 LYS A 107 45.488 -1.005 3.684 1.00 0.00 H new ATOM 0 HE3 LYS A 107 46.772 0.117 4.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 46.780 -0.407 1.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 48.206 -0.973 2.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 46.961 -2.061 2.038 1.00 0.00 H new ATOM 316 N ASN A 108 49.485 -3.384 9.851 1.00 0.00 N ATOM 317 CA ASN A 108 49.450 -4.309 11.020 1.00 0.00 C ATOM 318 C ASN A 108 50.514 -3.904 12.045 1.00 0.00 C ATOM 319 O ASN A 108 51.522 -3.317 11.706 1.00 0.00 O ATOM 320 CB ASN A 108 49.748 -5.697 10.442 1.00 0.00 C ATOM 321 CG ASN A 108 51.250 -5.841 10.179 1.00 0.00 C ATOM 322 OD1 ASN A 108 51.945 -6.513 10.915 1.00 0.00 O ATOM 323 ND2 ASN A 108 51.781 -5.234 9.154 1.00 0.00 N ATOM 0 H ASN A 108 50.410 -3.218 9.455 1.00 0.00 H new ATOM 0 HA ASN A 108 48.491 -4.287 11.537 1.00 0.00 H new ATOM 0 HB2 ASN A 108 49.416 -6.469 11.137 1.00 0.00 H new ATOM 0 HB3 ASN A 108 49.192 -5.842 9.516 1.00 0.00 H new ATOM 0 HD22 ASN A 108 51.197 -4.670 8.537 1.00 0.00 H new ATOM 330 N ALA A 109 50.299 -4.213 13.294 1.00 0.00 N ATOM 331 CA ALA A 109 51.301 -3.842 14.333 1.00 0.00 C ATOM 332 C ALA A 109 52.692 -4.326 13.920 1.00 0.00 C ATOM 333 O ALA A 109 53.097 -5.427 14.235 1.00 0.00 O ATOM 334 CB ALA A 109 50.843 -4.551 15.605 1.00 0.00 C ATOM 0 H ALA A 109 49.475 -4.705 13.640 1.00 0.00 H new ATOM 0 HA ALA A 109 51.367 -2.763 14.473 1.00 0.00 H new ATOM 0 HB1 ALA A 109 51.534 -4.324 16.417 1.00 0.00 H new ATOM 0 HB2 ALA A 109 49.844 -4.208 15.873 1.00 0.00 H new ATOM 0 HB3 ALA A 109 50.824 -5.627 15.435 1.00 0.00 H new ATOM 340 N ASP A 110 53.423 -3.511 13.217 1.00 0.00 N ATOM 341 CA ASP A 110 54.788 -3.919 12.778 1.00 0.00 C ATOM 342 C ASP A 110 55.746 -2.726 12.845 1.00 0.00 C ATOM 343 O ASP A 110 56.914 -2.872 13.143 1.00 0.00 O ATOM 344 CB ASP A 110 54.612 -4.386 11.333 1.00 0.00 C ATOM 345 CG ASP A 110 55.967 -4.809 10.764 1.00 0.00 C ATOM 346 OD1 ASP A 110 56.937 -4.769 11.502 1.00 0.00 O ATOM 347 OD2 ASP A 110 56.012 -5.166 9.598 1.00 0.00 O ATOM 0 H ASP A 110 53.135 -2.577 12.925 1.00 0.00 H new ATOM 0 HA ASP A 110 55.211 -4.699 13.411 1.00 0.00 H new ATOM 0 HB2 ASP A 110 53.912 -5.221 11.292 1.00 0.00 H new ATOM 0 HB3 ASP A 110 54.187 -3.584 10.730 1.00 0.00 H new ATOM 352 N GLY A 111 55.259 -1.547 12.567 1.00 0.00 N ATOM 353 CA GLY A 111 56.140 -0.346 12.611 1.00 0.00 C ATOM 354 C GLY A 111 57.238 -0.473 11.550 1.00 0.00 C ATOM 355 O GLY A 111 58.178 0.297 11.521 1.00 0.00 O ATOM 0 H GLY A 111 54.289 -1.364 12.311 1.00 0.00 H new ATOM 0 HA2 GLY A 111 55.552 0.555 12.434 1.00 0.00 H new ATOM 0 HA3 GLY A 111 56.586 -0.246 13.600 1.00 0.00 H new ATOM 359 N PHE A 112 57.127 -1.439 10.677 1.00 0.00 N ATOM 360 CA PHE A 112 58.164 -1.615 9.619 1.00 0.00 C ATOM 361 C PHE A 112 57.553 -2.300 8.394 1.00 0.00 C ATOM 362 O PHE A 112 56.664 -3.121 8.511 1.00 0.00 O ATOM 363 CB PHE A 112 59.231 -2.505 10.254 1.00 0.00 C ATOM 364 CG PHE A 112 60.070 -1.690 11.207 1.00 0.00 C ATOM 365 CD1 PHE A 112 60.765 -0.564 10.746 1.00 0.00 C ATOM 366 CD2 PHE A 112 60.155 -2.061 12.554 1.00 0.00 C ATOM 367 CE1 PHE A 112 61.543 0.190 11.634 1.00 0.00 C ATOM 368 CE2 PHE A 112 60.932 -1.307 13.441 1.00 0.00 C ATOM 369 CZ PHE A 112 61.627 -0.182 12.980 1.00 0.00 C ATOM 0 H PHE A 112 56.363 -2.114 10.651 1.00 0.00 H new ATOM 0 HA PHE A 112 58.576 -0.664 9.281 1.00 0.00 H new ATOM 0 HB2 PHE A 112 58.760 -3.332 10.785 1.00 0.00 H new ATOM 0 HB3 PHE A 112 59.862 -2.941 9.480 1.00 0.00 H new ATOM 0 HD1 PHE A 112 60.701 -0.278 9.707 1.00 0.00 H new ATOM 0 HD2 PHE A 112 59.621 -2.930 12.909 1.00 0.00 H new ATOM 0 HE1 PHE A 112 62.078 1.059 11.279 1.00 0.00 H new ATOM 0 HE2 PHE A 112 60.996 -1.593 14.481 1.00 0.00 H new ATOM 0 HZ PHE A 112 62.228 0.399 13.664 1.00 0.00 H new ATOM 379 N ILE A 113 58.021 -1.973 7.221 1.00 0.00 N ATOM 380 CA ILE A 113 57.461 -2.612 5.994 1.00 0.00 C ATOM 381 C ILE A 113 58.255 -3.873 5.641 1.00 0.00 C ATOM 382 O ILE A 113 59.419 -3.810 5.299 1.00 0.00 O ATOM 383 CB ILE A 113 57.610 -1.558 4.896 1.00 0.00 C ATOM 384 CG1 ILE A 113 56.965 -0.250 5.357 1.00 0.00 C ATOM 385 CG2 ILE A 113 56.917 -2.044 3.622 1.00 0.00 C ATOM 386 CD1 ILE A 113 57.501 0.911 4.517 1.00 0.00 C ATOM 0 H ILE A 113 58.764 -1.294 7.058 1.00 0.00 H new ATOM 0 HA ILE A 113 56.424 -2.920 6.126 1.00 0.00 H new ATOM 0 HB ILE A 113 58.668 -1.393 4.693 1.00 0.00 H new ATOM 0 HG12 ILE A 113 55.881 -0.313 5.259 1.00 0.00 H new ATOM 0 HG13 ILE A 113 57.180 -0.079 6.412 1.00 0.00 H new ATOM 0 HG21 ILE A 113 57.024 -1.292 2.840 1.00 0.00 H new ATOM 0 HG22 ILE A 113 57.374 -2.977 3.293 1.00 0.00 H new ATOM 0 HG23 ILE A 113 55.859 -2.210 3.824 1.00 0.00 H new ATOM 0 HD11 ILE A 113 57.040 1.842 4.847 1.00 0.00 H new ATOM 0 HD12 ILE A 113 58.582 0.979 4.638 1.00 0.00 H new ATOM 0 HD13 ILE A 113 57.263 0.741 3.467 1.00 0.00 H new ATOM 398 N ASP A 114 57.633 -5.018 5.719 1.00 0.00 N ATOM 399 CA ASP A 114 58.349 -6.282 5.386 1.00 0.00 C ATOM 400 C ASP A 114 58.014 -6.718 3.957 1.00 0.00 C ATOM 401 O ASP A 114 57.257 -6.069 3.262 1.00 0.00 O ATOM 402 CB ASP A 114 57.833 -7.309 6.395 1.00 0.00 C ATOM 403 CG ASP A 114 56.303 -7.330 6.366 1.00 0.00 C ATOM 404 OD1 ASP A 114 55.755 -7.733 5.353 1.00 0.00 O ATOM 405 OD2 ASP A 114 55.706 -6.943 7.356 1.00 0.00 O ATOM 0 H ASP A 114 56.659 -5.133 5.999 1.00 0.00 H new ATOM 0 HA ASP A 114 59.432 -6.169 5.438 1.00 0.00 H new ATOM 0 HB2 ASP A 114 58.225 -8.298 6.156 1.00 0.00 H new ATOM 0 HB3 ASP A 114 58.185 -7.059 7.396 1.00 0.00 H new ATOM 410 N ILE A 115 58.568 -7.813 3.513 1.00 0.00 N ATOM 411 CA ILE A 115 58.277 -8.288 2.129 1.00 0.00 C ATOM 412 C ILE A 115 56.809 -8.709 2.018 1.00 0.00 C ATOM 413 O ILE A 115 56.133 -8.392 1.060 1.00 0.00 O ATOM 414 CB ILE A 115 59.204 -9.487 1.915 1.00 0.00 C ATOM 415 CG1 ILE A 115 59.261 -9.826 0.425 1.00 0.00 C ATOM 416 CG2 ILE A 115 58.673 -10.694 2.690 1.00 0.00 C ATOM 417 CD1 ILE A 115 60.651 -9.495 -0.122 1.00 0.00 C ATOM 0 H ILE A 115 59.209 -8.399 4.048 1.00 0.00 H new ATOM 0 HA ILE A 115 58.442 -7.513 1.380 1.00 0.00 H new ATOM 0 HB ILE A 115 60.203 -9.239 2.273 1.00 0.00 H new ATOM 0 HG12 ILE A 115 59.041 -10.883 0.273 1.00 0.00 H new ATOM 0 HG13 ILE A 115 58.502 -9.262 -0.116 1.00 0.00 H new ATOM 0 HG21 ILE A 115 59.335 -11.546 2.535 1.00 0.00 H new ATOM 0 HG22 ILE A 115 58.632 -10.455 3.753 1.00 0.00 H new ATOM 0 HG23 ILE A 115 57.673 -10.943 2.335 1.00 0.00 H new ATOM 0 HD11 ILE A 115 60.691 -9.737 -1.184 1.00 0.00 H new ATOM 0 HD12 ILE A 115 60.853 -8.433 0.016 1.00 0.00 H new ATOM 0 HD13 ILE A 115 61.401 -10.079 0.412 1.00 0.00 H new ATOM 429 N GLU A 116 56.309 -9.417 2.994 1.00 0.00 N ATOM 430 CA GLU A 116 54.883 -9.851 2.946 1.00 0.00 C ATOM 431 C GLU A 116 53.984 -8.648 2.650 1.00 0.00 C ATOM 432 O GLU A 116 53.094 -8.712 1.826 1.00 0.00 O ATOM 433 CB GLU A 116 54.590 -10.414 4.336 1.00 0.00 C ATOM 434 CG GLU A 116 54.556 -11.942 4.273 1.00 0.00 C ATOM 435 CD GLU A 116 53.143 -12.406 3.914 1.00 0.00 C ATOM 436 OE1 GLU A 116 52.214 -11.978 4.579 1.00 0.00 O ATOM 437 OE2 GLU A 116 53.015 -13.182 2.982 1.00 0.00 O ATOM 0 H GLU A 116 56.826 -9.714 3.822 1.00 0.00 H new ATOM 0 HA GLU A 116 54.698 -10.589 2.166 1.00 0.00 H new ATOM 0 HB2 GLU A 116 55.354 -10.086 5.041 1.00 0.00 H new ATOM 0 HB3 GLU A 116 53.636 -10.033 4.700 1.00 0.00 H new ATOM 0 HG2 GLU A 116 55.268 -12.302 3.531 1.00 0.00 H new ATOM 0 HG3 GLU A 116 54.856 -12.363 5.233 1.00 0.00 H new ATOM 444 N GLU A 117 54.214 -7.549 3.316 1.00 0.00 N ATOM 445 CA GLU A 117 53.378 -6.339 3.072 1.00 0.00 C ATOM 446 C GLU A 117 53.595 -5.832 1.644 1.00 0.00 C ATOM 447 O GLU A 117 52.674 -5.394 0.984 1.00 0.00 O ATOM 448 CB GLU A 117 53.868 -5.305 4.088 1.00 0.00 C ATOM 449 CG GLU A 117 53.017 -5.388 5.356 1.00 0.00 C ATOM 450 CD GLU A 117 53.123 -4.073 6.132 1.00 0.00 C ATOM 451 OE1 GLU A 117 54.190 -3.481 6.114 1.00 0.00 O ATOM 452 OE2 GLU A 117 52.135 -3.681 6.732 1.00 0.00 O ATOM 0 H GLU A 117 54.945 -7.437 4.019 1.00 0.00 H new ATOM 0 HA GLU A 117 52.313 -6.542 3.182 1.00 0.00 H new ATOM 0 HB2 GLU A 117 54.916 -5.485 4.329 1.00 0.00 H new ATOM 0 HB3 GLU A 117 53.806 -4.304 3.662 1.00 0.00 H new ATOM 0 HG2 GLU A 117 51.977 -5.586 5.096 1.00 0.00 H new ATOM 0 HG3 GLU A 117 53.353 -6.217 5.978 1.00 0.00 H new ATOM 459 N LEU A 118 54.808 -5.889 1.163 1.00 0.00 N ATOM 460 CA LEU A 118 55.087 -5.410 -0.221 1.00 0.00 C ATOM 461 C LEU A 118 54.232 -6.183 -1.228 1.00 0.00 C ATOM 462 O LEU A 118 53.740 -5.632 -2.193 1.00 0.00 O ATOM 463 CB LEU A 118 56.572 -5.700 -0.451 1.00 0.00 C ATOM 464 CG LEU A 118 57.309 -4.390 -0.727 1.00 0.00 C ATOM 465 CD1 LEU A 118 57.308 -3.528 0.537 1.00 0.00 C ATOM 466 CD2 LEU A 118 58.754 -4.695 -1.132 1.00 0.00 C ATOM 0 H LEU A 118 55.618 -6.247 1.669 1.00 0.00 H new ATOM 0 HA LEU A 118 54.853 -4.353 -0.346 1.00 0.00 H new ATOM 0 HB2 LEU A 118 56.997 -6.192 0.424 1.00 0.00 H new ATOM 0 HB3 LEU A 118 56.694 -6.383 -1.292 1.00 0.00 H new ATOM 0 HG LEU A 118 56.808 -3.854 -1.534 1.00 0.00 H new ATOM 0 HD11 LEU A 118 57.834 -2.594 0.341 1.00 0.00 H new ATOM 0 HD12 LEU A 118 56.280 -3.312 0.829 1.00 0.00 H new ATOM 0 HD13 LEU A 118 57.809 -4.064 1.343 1.00 0.00 H new ATOM 0 HD21 LEU A 118 59.281 -3.762 -1.329 1.00 0.00 H new ATOM 0 HD22 LEU A 118 59.253 -5.230 -0.324 1.00 0.00 H new ATOM 0 HD23 LEU A 118 58.758 -5.311 -2.031 1.00 0.00 H new ATOM 478 N GLY A 119 54.053 -7.458 -1.011 1.00 0.00 N ATOM 479 CA GLY A 119 53.234 -8.270 -1.954 1.00 0.00 C ATOM 480 C GLY A 119 51.919 -7.546 -2.255 1.00 0.00 C ATOM 481 O GLY A 119 51.774 -6.900 -3.274 1.00 0.00 O ATOM 0 H GLY A 119 54.440 -7.973 -0.220 1.00 0.00 H new ATOM 0 HA2 GLY A 119 53.787 -8.438 -2.878 1.00 0.00 H new ATOM 0 HA3 GLY A 119 53.030 -9.250 -1.522 1.00 0.00 H new ATOM 485 N GLU A 120 50.961 -7.652 -1.378 1.00 0.00 N ATOM 486 CA GLU A 120 49.651 -6.976 -1.611 1.00 0.00 C ATOM 487 C GLU A 120 49.861 -5.553 -2.140 1.00 0.00 C ATOM 488 O GLU A 120 49.330 -5.181 -3.167 1.00 0.00 O ATOM 489 CB GLU A 120 48.959 -6.952 -0.244 1.00 0.00 C ATOM 490 CG GLU A 120 49.941 -6.502 0.846 1.00 0.00 C ATOM 491 CD GLU A 120 49.619 -5.065 1.261 1.00 0.00 C ATOM 492 OE1 GLU A 120 49.117 -4.326 0.429 1.00 0.00 O ATOM 493 OE2 GLU A 120 49.880 -4.727 2.403 1.00 0.00 O ATOM 0 H GLU A 120 51.027 -8.179 -0.507 1.00 0.00 H new ATOM 0 HA GLU A 120 49.053 -7.498 -2.358 1.00 0.00 H new ATOM 0 HB2 GLU A 120 48.105 -6.276 -0.274 1.00 0.00 H new ATOM 0 HB3 GLU A 120 48.573 -7.944 -0.007 1.00 0.00 H new ATOM 0 HG2 GLU A 120 49.872 -7.165 1.708 1.00 0.00 H new ATOM 0 HG3 GLU A 120 50.965 -6.564 0.477 1.00 0.00 H new ATOM 500 N ILE A 121 50.625 -4.754 -1.448 1.00 0.00 N ATOM 501 CA ILE A 121 50.861 -3.356 -1.916 1.00 0.00 C ATOM 502 C ILE A 121 51.091 -3.333 -3.432 1.00 0.00 C ATOM 503 O ILE A 121 50.344 -2.727 -4.174 1.00 0.00 O ATOM 504 CB ILE A 121 52.114 -2.892 -1.170 1.00 0.00 C ATOM 505 CG1 ILE A 121 51.746 -2.548 0.276 1.00 0.00 C ATOM 506 CG2 ILE A 121 52.691 -1.652 -1.857 1.00 0.00 C ATOM 507 CD1 ILE A 121 52.970 -1.974 0.996 1.00 0.00 C ATOM 0 H ILE A 121 51.096 -5.007 -0.579 1.00 0.00 H new ATOM 0 HA ILE A 121 50.009 -2.706 -1.719 1.00 0.00 H new ATOM 0 HB ILE A 121 52.857 -3.689 -1.179 1.00 0.00 H new ATOM 0 HG12 ILE A 121 50.930 -1.825 0.292 1.00 0.00 H new ATOM 0 HG13 ILE A 121 51.392 -3.440 0.794 1.00 0.00 H new ATOM 0 HG21 ILE A 121 53.583 -1.323 -1.324 1.00 0.00 H new ATOM 0 HG22 ILE A 121 52.952 -1.895 -2.887 1.00 0.00 H new ATOM 0 HG23 ILE A 121 51.949 -0.854 -1.850 1.00 0.00 H new ATOM 0 HD11 ILE A 121 52.706 -1.730 2.025 1.00 0.00 H new ATOM 0 HD12 ILE A 121 53.773 -2.711 0.993 1.00 0.00 H new ATOM 0 HD13 ILE A 121 53.304 -1.072 0.483 1.00 0.00 H new ATOM 519 N LEU A 122 52.121 -3.987 -3.895 1.00 0.00 N ATOM 520 CA LEU A 122 52.398 -4.000 -5.362 1.00 0.00 C ATOM 521 C LEU A 122 51.294 -4.760 -6.103 1.00 0.00 C ATOM 522 O LEU A 122 50.805 -4.322 -7.126 1.00 0.00 O ATOM 523 CB LEU A 122 53.737 -4.724 -5.505 1.00 0.00 C ATOM 524 CG LEU A 122 54.864 -3.819 -5.003 1.00 0.00 C ATOM 525 CD1 LEU A 122 56.149 -4.635 -4.856 1.00 0.00 C ATOM 526 CD2 LEU A 122 55.091 -2.686 -6.006 1.00 0.00 C ATOM 0 H LEU A 122 52.782 -4.512 -3.323 1.00 0.00 H new ATOM 0 HA LEU A 122 52.430 -2.996 -5.785 1.00 0.00 H new ATOM 0 HB2 LEU A 122 53.722 -5.654 -4.936 1.00 0.00 H new ATOM 0 HB3 LEU A 122 53.908 -4.991 -6.548 1.00 0.00 H new ATOM 0 HG LEU A 122 54.589 -3.400 -4.035 1.00 0.00 H new ATOM 0 HD11 LEU A 122 56.951 -3.989 -4.498 1.00 0.00 H new ATOM 0 HD12 LEU A 122 55.988 -5.443 -4.142 1.00 0.00 H new ATOM 0 HD13 LEU A 122 56.426 -5.056 -5.823 1.00 0.00 H new ATOM 0 HD21 LEU A 122 55.894 -2.040 -5.650 1.00 0.00 H new ATOM 0 HD22 LEU A 122 55.366 -3.106 -6.974 1.00 0.00 H new ATOM 0 HD23 LEU A 122 54.176 -2.103 -6.110 1.00 0.00 H new ATOM 538 N ARG A 123 50.898 -5.896 -5.596 1.00 0.00 N ATOM 539 CA ARG A 123 49.828 -6.685 -6.272 1.00 0.00 C ATOM 540 C ARG A 123 48.599 -5.806 -6.528 1.00 0.00 C ATOM 541 O ARG A 123 47.974 -5.883 -7.568 1.00 0.00 O ATOM 542 CB ARG A 123 49.487 -7.809 -5.295 1.00 0.00 C ATOM 543 CG ARG A 123 50.141 -9.109 -5.766 1.00 0.00 C ATOM 544 CD ARG A 123 49.055 -10.129 -6.116 1.00 0.00 C ATOM 545 NE ARG A 123 48.450 -9.627 -7.380 1.00 0.00 N ATOM 546 CZ ARG A 123 47.763 -10.434 -8.139 1.00 0.00 C ATOM 547 NH1 ARG A 123 46.478 -10.571 -7.952 1.00 0.00 N ATOM 548 NH2 ARG A 123 48.360 -11.107 -9.086 1.00 0.00 N ATOM 0 H ARG A 123 51.269 -6.312 -4.742 1.00 0.00 H new ATOM 0 HA ARG A 123 50.150 -7.069 -7.240 1.00 0.00 H new ATOM 0 HB2 ARG A 123 49.837 -7.555 -4.295 1.00 0.00 H new ATOM 0 HB3 ARG A 123 48.406 -7.935 -5.232 1.00 0.00 H new ATOM 0 HG2 ARG A 123 50.769 -8.918 -6.636 1.00 0.00 H new ATOM 0 HG3 ARG A 123 50.790 -9.506 -4.985 1.00 0.00 H new ATOM 0 HD2 ARG A 123 49.477 -11.125 -6.249 1.00 0.00 H new ATOM 0 HD3 ARG A 123 48.310 -10.201 -5.323 1.00 0.00 H new ATOM 0 HE ARG A 123 48.573 -8.652 -7.652 1.00 0.00 H new ATOM 0 HH11 ARG A 123 46.012 -10.046 -7.212 1.00 0.00 H new ATOM 0 HH12 ARG A 123 45.941 -11.202 -8.546 1.00 0.00 H new ATOM 0 HH21 ARG A 123 49.364 -11.001 -9.232 1.00 0.00 H new ATOM 0 HH22 ARG A 123 47.822 -11.738 -9.680 1.00 0.00 H new ATOM 562 N ALA A 124 48.246 -4.974 -5.587 1.00 0.00 N ATOM 563 CA ALA A 124 47.056 -4.094 -5.773 1.00 0.00 C ATOM 564 C ALA A 124 47.116 -3.397 -7.138 1.00 0.00 C ATOM 565 O ALA A 124 46.112 -3.222 -7.800 1.00 0.00 O ATOM 566 CB ALA A 124 47.141 -3.069 -4.642 1.00 0.00 C ATOM 0 H ALA A 124 48.730 -4.865 -4.696 1.00 0.00 H new ATOM 0 HA ALA A 124 46.121 -4.654 -5.746 1.00 0.00 H new ATOM 0 HB1 ALA A 124 46.297 -2.382 -4.709 1.00 0.00 H new ATOM 0 HB2 ALA A 124 47.114 -3.584 -3.682 1.00 0.00 H new ATOM 0 HB3 ALA A 124 48.072 -2.509 -4.728 1.00 0.00 H new ATOM 572 N THR A 125 48.283 -2.996 -7.562 1.00 0.00 N ATOM 573 CA THR A 125 48.400 -2.309 -8.882 1.00 0.00 C ATOM 574 C THR A 125 48.268 -3.322 -10.023 1.00 0.00 C ATOM 575 O THR A 125 47.905 -4.463 -9.816 1.00 0.00 O ATOM 576 CB THR A 125 49.797 -1.685 -8.883 1.00 0.00 C ATOM 577 OG1 THR A 125 50.765 -2.699 -9.112 1.00 0.00 O ATOM 578 CG2 THR A 125 50.063 -1.014 -7.535 1.00 0.00 C ATOM 0 H THR A 125 49.160 -3.113 -7.054 1.00 0.00 H new ATOM 0 HA THR A 125 47.618 -1.563 -9.027 1.00 0.00 H new ATOM 0 HB THR A 125 49.860 -0.937 -9.673 1.00 0.00 H new ATOM 0 HG1 THR A 125 50.778 -3.316 -8.351 1.00 0.00 H new ATOM 0 HG21 THR A 125 51.059 -0.571 -7.539 1.00 0.00 H new ATOM 0 HG22 THR A 125 49.320 -0.235 -7.363 1.00 0.00 H new ATOM 0 HG23 THR A 125 50.000 -1.757 -6.740 1.00 0.00 H new ATOM 586 N GLY A 126 48.560 -2.913 -11.229 1.00 0.00 N ATOM 587 CA GLY A 126 48.454 -3.849 -12.384 1.00 0.00 C ATOM 588 C GLY A 126 49.851 -4.144 -12.932 1.00 0.00 C ATOM 589 O GLY A 126 50.129 -3.934 -14.096 1.00 0.00 O ATOM 0 H GLY A 126 48.868 -1.969 -11.464 1.00 0.00 H new ATOM 0 HA2 GLY A 126 47.971 -4.775 -12.072 1.00 0.00 H new ATOM 0 HA3 GLY A 126 47.831 -3.412 -13.164 1.00 0.00 H new ATOM 593 N GLU A 127 50.732 -4.630 -12.103 1.00 0.00 N ATOM 594 CA GLU A 127 52.110 -4.939 -12.578 1.00 0.00 C ATOM 595 C GLU A 127 52.388 -6.440 -12.454 1.00 0.00 C ATOM 596 O GLU A 127 53.378 -6.940 -12.952 1.00 0.00 O ATOM 597 CB GLU A 127 53.034 -4.146 -11.653 1.00 0.00 C ATOM 598 CG GLU A 127 53.186 -2.719 -12.181 1.00 0.00 C ATOM 599 CD GLU A 127 54.256 -2.689 -13.274 1.00 0.00 C ATOM 600 OE1 GLU A 127 54.336 -3.649 -14.023 1.00 0.00 O ATOM 601 OE2 GLU A 127 54.976 -1.707 -13.345 1.00 0.00 O ATOM 0 H GLU A 127 50.558 -4.827 -11.117 1.00 0.00 H new ATOM 0 HA GLU A 127 52.255 -4.674 -13.625 1.00 0.00 H new ATOM 0 HB2 GLU A 127 52.626 -4.129 -10.642 1.00 0.00 H new ATOM 0 HB3 GLU A 127 54.009 -4.629 -11.595 1.00 0.00 H new ATOM 0 HG2 GLU A 127 52.235 -2.364 -12.579 1.00 0.00 H new ATOM 0 HG3 GLU A 127 53.462 -2.047 -11.368 1.00 0.00 H new ATOM 608 N HIS A 128 51.526 -7.162 -11.792 1.00 0.00 N ATOM 609 CA HIS A 128 51.748 -8.627 -11.636 1.00 0.00 C ATOM 610 C HIS A 128 53.178 -8.888 -11.157 1.00 0.00 C ATOM 611 O HIS A 128 53.998 -9.423 -11.878 1.00 0.00 O ATOM 612 CB HIS A 128 51.535 -9.211 -13.033 1.00 0.00 C ATOM 613 CG HIS A 128 50.098 -9.628 -13.191 1.00 0.00 C ATOM 614 ND1 HIS A 128 49.398 -10.268 -12.179 1.00 0.00 N ATOM 615 CD2 HIS A 128 49.216 -9.505 -14.235 1.00 0.00 C ATOM 616 CE1 HIS A 128 48.155 -10.505 -12.634 1.00 0.00 C ATOM 617 NE2 HIS A 128 47.990 -10.060 -13.881 1.00 0.00 N ATOM 0 H HIS A 128 50.679 -6.801 -11.353 1.00 0.00 H new ATOM 0 HA HIS A 128 51.077 -9.075 -10.903 1.00 0.00 H new ATOM 0 HB2 HIS A 128 51.795 -8.472 -13.791 1.00 0.00 H new ATOM 0 HB3 HIS A 128 52.192 -10.068 -13.184 1.00 0.00 H new ATOM 0 HD2 HIS A 128 49.439 -9.047 -15.187 1.00 0.00 H new ATOM 0 HE1 HIS A 128 47.384 -10.996 -12.060 1.00 0.00 H new ATOM 0 HE2 HIS A 128 47.147 -10.115 -14.452 1.00 0.00 H new ATOM 625 N VAL A 129 53.488 -8.507 -9.948 1.00 0.00 N ATOM 626 CA VAL A 129 54.867 -8.726 -9.428 1.00 0.00 C ATOM 627 C VAL A 129 54.975 -10.089 -8.742 1.00 0.00 C ATOM 628 O VAL A 129 54.024 -10.588 -8.173 1.00 0.00 O ATOM 629 CB VAL A 129 55.088 -7.600 -8.418 1.00 0.00 C ATOM 630 CG1 VAL A 129 56.573 -7.522 -8.056 1.00 0.00 C ATOM 631 CG2 VAL A 129 54.643 -6.272 -9.033 1.00 0.00 C ATOM 0 H VAL A 129 52.846 -8.054 -9.298 1.00 0.00 H new ATOM 0 HA VAL A 129 55.611 -8.718 -10.224 1.00 0.00 H new ATOM 0 HB VAL A 129 54.506 -7.799 -7.518 1.00 0.00 H new ATOM 0 HG11 VAL A 129 56.730 -6.719 -7.336 1.00 0.00 H new ATOM 0 HG12 VAL A 129 56.891 -8.469 -7.619 1.00 0.00 H new ATOM 0 HG13 VAL A 129 57.157 -7.323 -8.955 1.00 0.00 H new ATOM 0 HG21 VAL A 129 54.800 -5.468 -8.314 1.00 0.00 H new ATOM 0 HG22 VAL A 129 55.226 -6.074 -9.932 1.00 0.00 H new ATOM 0 HG23 VAL A 129 53.585 -6.327 -9.291 1.00 0.00 H new ATOM 641 N ILE A 130 56.131 -10.691 -8.788 1.00 0.00 N ATOM 642 CA ILE A 130 56.311 -12.019 -8.137 1.00 0.00 C ATOM 643 C ILE A 130 57.362 -11.919 -7.028 1.00 0.00 C ATOM 644 O ILE A 130 58.213 -11.051 -7.043 1.00 0.00 O ATOM 645 CB ILE A 130 56.791 -12.946 -9.253 1.00 0.00 C ATOM 646 CG1 ILE A 130 57.952 -12.285 -10.000 1.00 0.00 C ATOM 647 CG2 ILE A 130 55.641 -13.205 -10.228 1.00 0.00 C ATOM 648 CD1 ILE A 130 58.630 -13.316 -10.904 1.00 0.00 C ATOM 0 H ILE A 130 56.961 -10.319 -9.250 1.00 0.00 H new ATOM 0 HA ILE A 130 55.394 -12.384 -7.675 1.00 0.00 H new ATOM 0 HB ILE A 130 57.125 -13.891 -8.824 1.00 0.00 H new ATOM 0 HG12 ILE A 130 57.586 -11.448 -10.595 1.00 0.00 H new ATOM 0 HG13 ILE A 130 58.672 -11.880 -9.289 1.00 0.00 H new ATOM 0 HG21 ILE A 130 55.982 -13.866 -11.025 1.00 0.00 H new ATOM 0 HG22 ILE A 130 54.812 -13.674 -9.697 1.00 0.00 H new ATOM 0 HG23 ILE A 130 55.309 -12.260 -10.658 1.00 0.00 H new ATOM 0 HD11 ILE A 130 59.457 -12.846 -11.436 1.00 0.00 H new ATOM 0 HD12 ILE A 130 59.010 -14.138 -10.297 1.00 0.00 H new ATOM 0 HD13 ILE A 130 57.907 -13.700 -11.624 1.00 0.00 H new ATOM 660 N GLU A 131 57.304 -12.796 -6.063 1.00 0.00 N ATOM 661 CA GLU A 131 58.293 -12.754 -4.945 1.00 0.00 C ATOM 662 C GLU A 131 59.697 -12.429 -5.469 1.00 0.00 C ATOM 663 O GLU A 131 60.372 -11.558 -4.957 1.00 0.00 O ATOM 664 CB GLU A 131 58.260 -14.159 -4.341 1.00 0.00 C ATOM 665 CG GLU A 131 57.237 -14.202 -3.204 1.00 0.00 C ATOM 666 CD GLU A 131 57.892 -14.788 -1.951 1.00 0.00 C ATOM 667 OE1 GLU A 131 58.095 -15.991 -1.920 1.00 0.00 O ATOM 668 OE2 GLU A 131 58.179 -14.024 -1.045 1.00 0.00 O ATOM 0 H GLU A 131 56.612 -13.543 -5.999 1.00 0.00 H new ATOM 0 HA GLU A 131 58.050 -11.982 -4.215 1.00 0.00 H new ATOM 0 HB2 GLU A 131 57.999 -14.890 -5.107 1.00 0.00 H new ATOM 0 HB3 GLU A 131 59.247 -14.429 -3.966 1.00 0.00 H new ATOM 0 HG2 GLU A 131 56.865 -13.199 -2.997 1.00 0.00 H new ATOM 0 HG3 GLU A 131 56.378 -14.807 -3.495 1.00 0.00 H new ATOM 675 N GLU A 132 60.146 -13.128 -6.476 1.00 0.00 N ATOM 676 CA GLU A 132 61.511 -12.866 -7.021 1.00 0.00 C ATOM 677 C GLU A 132 61.703 -11.376 -7.325 1.00 0.00 C ATOM 678 O GLU A 132 62.788 -10.844 -7.196 1.00 0.00 O ATOM 679 CB GLU A 132 61.590 -13.687 -8.307 1.00 0.00 C ATOM 680 CG GLU A 132 62.720 -14.711 -8.187 1.00 0.00 C ATOM 681 CD GLU A 132 62.201 -15.964 -7.480 1.00 0.00 C ATOM 682 OE1 GLU A 132 61.021 -16.245 -7.607 1.00 0.00 O ATOM 683 OE2 GLU A 132 62.993 -16.622 -6.825 1.00 0.00 O ATOM 0 H GLU A 132 59.627 -13.870 -6.946 1.00 0.00 H new ATOM 0 HA GLU A 132 62.289 -13.140 -6.309 1.00 0.00 H new ATOM 0 HB2 GLU A 132 60.642 -14.194 -8.486 1.00 0.00 H new ATOM 0 HB3 GLU A 132 61.767 -13.032 -9.160 1.00 0.00 H new ATOM 0 HG2 GLU A 132 63.098 -14.969 -9.176 1.00 0.00 H new ATOM 0 HG3 GLU A 132 63.554 -14.285 -7.629 1.00 0.00 H new ATOM 690 N ASP A 133 60.663 -10.697 -7.724 1.00 0.00 N ATOM 691 CA ASP A 133 60.801 -9.244 -8.031 1.00 0.00 C ATOM 692 C ASP A 133 60.652 -8.433 -6.746 1.00 0.00 C ATOM 693 O ASP A 133 61.439 -7.554 -6.456 1.00 0.00 O ATOM 694 CB ASP A 133 59.668 -8.931 -9.009 1.00 0.00 C ATOM 695 CG ASP A 133 60.257 -8.471 -10.345 1.00 0.00 C ATOM 696 OD1 ASP A 133 61.456 -8.613 -10.523 1.00 0.00 O ATOM 697 OD2 ASP A 133 59.499 -7.986 -11.169 1.00 0.00 O ATOM 0 H ASP A 133 59.727 -11.083 -7.851 1.00 0.00 H new ATOM 0 HA ASP A 133 61.773 -8.995 -8.457 1.00 0.00 H new ATOM 0 HB2 ASP A 133 59.048 -9.815 -9.158 1.00 0.00 H new ATOM 0 HB3 ASP A 133 59.023 -8.155 -8.598 1.00 0.00 H new ATOM 702 N ILE A 134 59.650 -8.729 -5.967 1.00 0.00 N ATOM 703 CA ILE A 134 59.455 -7.987 -4.693 1.00 0.00 C ATOM 704 C ILE A 134 60.699 -8.132 -3.816 1.00 0.00 C ATOM 705 O ILE A 134 61.105 -7.212 -3.136 1.00 0.00 O ATOM 706 CB ILE A 134 58.254 -8.657 -4.035 1.00 0.00 C ATOM 707 CG1 ILE A 134 57.057 -8.589 -4.985 1.00 0.00 C ATOM 708 CG2 ILE A 134 57.919 -7.932 -2.731 1.00 0.00 C ATOM 709 CD1 ILE A 134 55.790 -8.992 -4.235 1.00 0.00 C ATOM 0 H ILE A 134 58.958 -9.453 -6.158 1.00 0.00 H new ATOM 0 HA ILE A 134 59.293 -6.920 -4.846 1.00 0.00 H new ATOM 0 HB ILE A 134 58.487 -9.699 -3.818 1.00 0.00 H new ATOM 0 HG12 ILE A 134 56.952 -7.580 -5.383 1.00 0.00 H new ATOM 0 HG13 ILE A 134 57.216 -9.252 -5.835 1.00 0.00 H new ATOM 0 HG21 ILE A 134 57.060 -8.410 -2.259 1.00 0.00 H new ATOM 0 HG22 ILE A 134 58.775 -7.979 -2.058 1.00 0.00 H new ATOM 0 HG23 ILE A 134 57.682 -6.890 -2.945 1.00 0.00 H new ATOM 0 HD11 ILE A 134 54.936 -8.944 -4.911 1.00 0.00 H new ATOM 0 HD12 ILE A 134 55.898 -10.009 -3.859 1.00 0.00 H new ATOM 0 HD13 ILE A 134 55.630 -8.311 -3.399 1.00 0.00 H new ATOM 721 N GLU A 135 61.307 -9.286 -3.833 1.00 0.00 N ATOM 722 CA GLU A 135 62.529 -9.498 -3.005 1.00 0.00 C ATOM 723 C GLU A 135 63.598 -8.467 -3.376 1.00 0.00 C ATOM 724 O GLU A 135 64.192 -7.838 -2.522 1.00 0.00 O ATOM 725 CB GLU A 135 63.002 -10.911 -3.350 1.00 0.00 C ATOM 726 CG GLU A 135 62.511 -11.887 -2.279 1.00 0.00 C ATOM 727 CD GLU A 135 63.352 -13.164 -2.328 1.00 0.00 C ATOM 728 OE1 GLU A 135 63.501 -13.710 -3.409 1.00 0.00 O ATOM 729 OE2 GLU A 135 63.833 -13.574 -1.285 1.00 0.00 O ATOM 0 H GLU A 135 61.011 -10.092 -4.384 1.00 0.00 H new ATOM 0 HA GLU A 135 62.333 -9.385 -1.939 1.00 0.00 H new ATOM 0 HB2 GLU A 135 62.621 -11.205 -4.328 1.00 0.00 H new ATOM 0 HB3 GLU A 135 64.090 -10.938 -3.411 1.00 0.00 H new ATOM 0 HG2 GLU A 135 62.584 -11.428 -1.293 1.00 0.00 H new ATOM 0 HG3 GLU A 135 61.460 -12.125 -2.443 1.00 0.00 H new ATOM 736 N ASP A 136 63.848 -8.288 -4.643 1.00 0.00 N ATOM 737 CA ASP A 136 64.876 -7.296 -5.067 1.00 0.00 C ATOM 738 C ASP A 136 64.566 -5.924 -4.460 1.00 0.00 C ATOM 739 O ASP A 136 65.442 -5.240 -3.970 1.00 0.00 O ATOM 740 CB ASP A 136 64.776 -7.249 -6.593 1.00 0.00 C ATOM 741 CG ASP A 136 66.148 -6.923 -7.185 1.00 0.00 C ATOM 742 OD1 ASP A 136 67.130 -7.094 -6.481 1.00 0.00 O ATOM 743 OD2 ASP A 136 66.195 -6.509 -8.332 1.00 0.00 O ATOM 0 H ASP A 136 63.385 -8.786 -5.404 1.00 0.00 H new ATOM 0 HA ASP A 136 65.878 -7.569 -4.736 1.00 0.00 H new ATOM 0 HB2 ASP A 136 64.422 -8.207 -6.974 1.00 0.00 H new ATOM 0 HB3 ASP A 136 64.049 -6.496 -6.897 1.00 0.00 H new ATOM 748 N LEU A 137 63.325 -5.519 -4.486 1.00 0.00 N ATOM 749 CA LEU A 137 62.961 -4.193 -3.907 1.00 0.00 C ATOM 750 C LEU A 137 63.464 -4.092 -2.464 1.00 0.00 C ATOM 751 O LEU A 137 64.017 -3.090 -2.057 1.00 0.00 O ATOM 752 CB LEU A 137 61.432 -4.152 -3.940 1.00 0.00 C ATOM 753 CG LEU A 137 60.965 -3.508 -5.246 1.00 0.00 C ATOM 754 CD1 LEU A 137 60.507 -4.598 -6.218 1.00 0.00 C ATOM 755 CD2 LEU A 137 59.796 -2.561 -4.958 1.00 0.00 C ATOM 0 H LEU A 137 62.548 -6.048 -4.882 1.00 0.00 H new ATOM 0 HA LEU A 137 63.405 -3.366 -4.461 1.00 0.00 H new ATOM 0 HB2 LEU A 137 61.029 -5.161 -3.856 1.00 0.00 H new ATOM 0 HB3 LEU A 137 61.055 -3.586 -3.088 1.00 0.00 H new ATOM 0 HG LEU A 137 61.789 -2.948 -5.689 1.00 0.00 H new ATOM 0 HD11 LEU A 137 60.174 -4.139 -7.149 1.00 0.00 H new ATOM 0 HD12 LEU A 137 61.337 -5.274 -6.423 1.00 0.00 H new ATOM 0 HD13 LEU A 137 59.684 -5.158 -5.775 1.00 0.00 H new ATOM 0 HD21 LEU A 137 59.462 -2.101 -5.888 1.00 0.00 H new ATOM 0 HD22 LEU A 137 58.973 -3.123 -4.515 1.00 0.00 H new ATOM 0 HD23 LEU A 137 60.119 -1.784 -4.265 1.00 0.00 H new ATOM 767 N MET A 138 63.275 -5.125 -1.690 1.00 0.00 N ATOM 768 CA MET A 138 63.737 -5.096 -0.273 1.00 0.00 C ATOM 769 C MET A 138 65.265 -4.999 -0.215 1.00 0.00 C ATOM 770 O MET A 138 65.821 -4.274 0.585 1.00 0.00 O ATOM 771 CB MET A 138 63.260 -6.424 0.319 1.00 0.00 C ATOM 772 CG MET A 138 63.531 -6.442 1.824 1.00 0.00 C ATOM 773 SD MET A 138 62.098 -7.133 2.687 1.00 0.00 S ATOM 774 CE MET A 138 61.014 -5.694 2.518 1.00 0.00 C ATOM 0 H MET A 138 62.819 -5.991 -1.979 1.00 0.00 H new ATOM 0 HA MET A 138 63.346 -4.238 0.274 1.00 0.00 H new ATOM 0 HB2 MET A 138 62.195 -6.556 0.130 1.00 0.00 H new ATOM 0 HB3 MET A 138 63.775 -7.255 -0.163 1.00 0.00 H new ATOM 0 HG2 MET A 138 64.419 -7.037 2.037 1.00 0.00 H new ATOM 0 HG3 MET A 138 63.731 -5.432 2.180 1.00 0.00 H new ATOM 0 HE1 MET A 138 60.891 -5.215 3.489 1.00 0.00 H new ATOM 0 HE2 MET A 138 61.456 -4.986 1.817 1.00 0.00 H new ATOM 0 HE3 MET A 138 60.041 -6.013 2.145 1.00 0.00 H new ATOM 784 N LYS A 139 65.944 -5.729 -1.056 1.00 0.00 N ATOM 785 CA LYS A 139 67.434 -5.685 -1.051 1.00 0.00 C ATOM 786 C LYS A 139 67.932 -4.248 -1.229 1.00 0.00 C ATOM 787 O LYS A 139 68.680 -3.734 -0.422 1.00 0.00 O ATOM 788 CB LYS A 139 67.854 -6.547 -2.244 1.00 0.00 C ATOM 789 CG LYS A 139 69.309 -6.985 -2.072 1.00 0.00 C ATOM 790 CD LYS A 139 69.556 -8.263 -2.875 1.00 0.00 C ATOM 791 CE LYS A 139 69.833 -9.423 -1.916 1.00 0.00 C ATOM 792 NZ LYS A 139 69.183 -10.605 -2.547 1.00 0.00 N ATOM 0 H LYS A 139 65.531 -6.355 -1.747 1.00 0.00 H new ATOM 0 HA LYS A 139 67.852 -6.046 -0.111 1.00 0.00 H new ATOM 0 HB2 LYS A 139 67.207 -7.421 -2.320 1.00 0.00 H new ATOM 0 HB3 LYS A 139 67.740 -5.984 -3.171 1.00 0.00 H new ATOM 0 HG2 LYS A 139 69.980 -6.195 -2.410 1.00 0.00 H new ATOM 0 HG3 LYS A 139 69.526 -7.158 -1.018 1.00 0.00 H new ATOM 0 HD2 LYS A 139 68.688 -8.489 -3.495 1.00 0.00 H new ATOM 0 HD3 LYS A 139 70.402 -8.124 -3.549 1.00 0.00 H new ATOM 0 HE2 LYS A 139 70.904 -9.582 -1.788 1.00 0.00 H new ATOM 0 HE3 LYS A 139 69.419 -9.226 -0.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 69.329 -11.442 -1.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 68.164 -10.427 -2.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 69.602 -10.773 -3.484 1.00 0.00 H new ATOM 806 N ASP A 140 67.525 -3.599 -2.285 1.00 0.00 N ATOM 807 CA ASP A 140 67.976 -2.197 -2.526 1.00 0.00 C ATOM 808 C ASP A 140 67.604 -1.298 -1.342 1.00 0.00 C ATOM 809 O ASP A 140 68.154 -0.229 -1.169 1.00 0.00 O ATOM 810 CB ASP A 140 67.235 -1.759 -3.788 1.00 0.00 C ATOM 811 CG ASP A 140 67.781 -0.410 -4.258 1.00 0.00 C ATOM 812 OD1 ASP A 140 68.986 -0.302 -4.411 1.00 0.00 O ATOM 813 OD2 ASP A 140 66.984 0.492 -4.458 1.00 0.00 O ATOM 0 H ASP A 140 66.898 -3.979 -2.994 1.00 0.00 H new ATOM 0 HA ASP A 140 69.058 -2.128 -2.639 1.00 0.00 H new ATOM 0 HB2 ASP A 140 67.358 -2.506 -4.572 1.00 0.00 H new ATOM 0 HB3 ASP A 140 66.167 -1.681 -3.587 1.00 0.00 H new ATOM 818 N SER A 141 66.671 -1.715 -0.529 1.00 0.00 N ATOM 819 CA SER A 141 66.270 -0.873 0.634 1.00 0.00 C ATOM 820 C SER A 141 66.885 -1.410 1.930 1.00 0.00 C ATOM 821 O SER A 141 67.646 -0.733 2.592 1.00 0.00 O ATOM 822 CB SER A 141 64.749 -0.976 0.688 1.00 0.00 C ATOM 823 OG SER A 141 64.208 0.267 1.117 1.00 0.00 O ATOM 0 H SER A 141 66.171 -2.599 -0.620 1.00 0.00 H new ATOM 0 HA SER A 141 66.612 0.156 0.528 1.00 0.00 H new ATOM 0 HB2 SER A 141 64.356 -1.237 -0.295 1.00 0.00 H new ATOM 0 HB3 SER A 141 64.451 -1.771 1.372 1.00 0.00 H new ATOM 0 HG SER A 141 64.706 1.001 0.702 1.00 0.00 H new ATOM 829 N ASP A 142 66.551 -2.619 2.300 1.00 0.00 N ATOM 830 CA ASP A 142 67.104 -3.204 3.558 1.00 0.00 C ATOM 831 C ASP A 142 68.576 -2.823 3.735 1.00 0.00 C ATOM 832 O ASP A 142 69.465 -3.490 3.242 1.00 0.00 O ATOM 833 CB ASP A 142 66.961 -4.718 3.384 1.00 0.00 C ATOM 834 CG ASP A 142 67.279 -5.416 4.707 1.00 0.00 C ATOM 835 OD1 ASP A 142 67.660 -4.728 5.640 1.00 0.00 O ATOM 836 OD2 ASP A 142 67.136 -6.626 4.765 1.00 0.00 O ATOM 0 H ASP A 142 65.917 -3.228 1.783 1.00 0.00 H new ATOM 0 HA ASP A 142 66.581 -2.838 4.441 1.00 0.00 H new ATOM 0 HB2 ASP A 142 65.948 -4.964 3.065 1.00 0.00 H new ATOM 0 HB3 ASP A 142 67.635 -5.070 2.603 1.00 0.00 H new ATOM 841 N LYS A 143 68.839 -1.756 4.438 1.00 0.00 N ATOM 842 CA LYS A 143 70.253 -1.334 4.650 1.00 0.00 C ATOM 843 C LYS A 143 70.792 -1.932 5.952 1.00 0.00 C ATOM 844 O LYS A 143 71.957 -1.800 6.271 1.00 0.00 O ATOM 845 CB LYS A 143 70.200 0.191 4.742 1.00 0.00 C ATOM 846 CG LYS A 143 71.386 0.789 3.982 1.00 0.00 C ATOM 847 CD LYS A 143 71.003 0.996 2.516 1.00 0.00 C ATOM 848 CE LYS A 143 72.251 0.869 1.639 1.00 0.00 C ATOM 849 NZ LYS A 143 72.288 -0.563 1.228 1.00 0.00 N ATOM 0 H LYS A 143 68.137 -1.158 4.875 1.00 0.00 H new ATOM 0 HA LYS A 143 70.911 -1.672 3.849 1.00 0.00 H new ATOM 0 HB2 LYS A 143 69.263 0.559 4.323 1.00 0.00 H new ATOM 0 HB3 LYS A 143 70.228 0.504 5.786 1.00 0.00 H new ATOM 0 HG2 LYS A 143 71.677 1.739 4.430 1.00 0.00 H new ATOM 0 HG3 LYS A 143 72.248 0.126 4.053 1.00 0.00 H new ATOM 0 HD2 LYS A 143 70.258 0.259 2.216 1.00 0.00 H new ATOM 0 HD3 LYS A 143 70.550 1.979 2.383 1.00 0.00 H new ATOM 0 HE2 LYS A 143 72.193 1.527 0.772 1.00 0.00 H new ATOM 0 HE3 LYS A 143 73.150 1.145 2.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 143 73.117 -0.729 0.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 143 72.350 -1.165 2.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 143 71.423 -0.795 0.700 1.00 0.00 H new ATOM 863 N ASN A 144 69.954 -2.589 6.707 1.00 0.00 N ATOM 864 CA ASN A 144 70.421 -3.195 7.988 1.00 0.00 C ATOM 865 C ASN A 144 70.039 -4.678 8.041 1.00 0.00 C ATOM 866 O ASN A 144 69.964 -5.272 9.099 1.00 0.00 O ATOM 867 CB ASN A 144 69.696 -2.415 9.085 1.00 0.00 C ATOM 868 CG ASN A 144 69.753 -0.918 8.775 1.00 0.00 C ATOM 869 OD1 ASN A 144 69.008 -0.433 7.818 1.00 0.00 O flip ATOM 870 ND2 ASN A 144 70.482 -0.180 9.409 1.00 0.00 N flip ATOM 0 H ASN A 144 68.967 -2.733 6.493 1.00 0.00 H new ATOM 0 HA ASN A 144 71.504 -3.141 8.099 1.00 0.00 H new ATOM 0 HB2 ASN A 144 68.659 -2.743 9.153 1.00 0.00 H new ATOM 0 HB3 ASN A 144 70.158 -2.614 10.052 1.00 0.00 H new ATOM 0 HD21 ASN A 144 71.064 -0.557 10.157 1.00 0.00 H new ATOM 0 HD22 ASN A 144 70.511 0.817 9.193 1.00 0.00 H new ATOM 877 N ASN A 145 69.802 -5.281 6.909 1.00 0.00 N ATOM 878 CA ASN A 145 69.429 -6.724 6.893 1.00 0.00 C ATOM 879 C ASN A 145 68.334 -7.003 7.927 1.00 0.00 C ATOM 880 O ASN A 145 68.412 -7.946 8.688 1.00 0.00 O ATOM 881 CB ASN A 145 70.715 -7.463 7.260 1.00 0.00 C ATOM 882 CG ASN A 145 71.531 -7.728 5.993 1.00 0.00 C ATOM 883 OD1 ASN A 145 71.165 -8.557 5.184 1.00 0.00 O ATOM 884 ND2 ASN A 145 72.628 -7.055 5.786 1.00 0.00 N ATOM 0 H ASN A 145 69.851 -4.836 5.992 1.00 0.00 H new ATOM 0 HA ASN A 145 69.036 -7.039 5.927 1.00 0.00 H new ATOM 0 HB2 ASN A 145 71.299 -6.871 7.964 1.00 0.00 H new ATOM 0 HB3 ASN A 145 70.477 -8.404 7.756 1.00 0.00 H new ATOM 0 HD21 ASN A 145 73.179 -7.224 4.945 1.00 0.00 H new ATOM 0 HD22 ASN A 145 72.935 -6.359 6.465 1.00 0.00 H new ATOM 891 N ASP A 146 67.313 -6.191 7.958 1.00 0.00 N ATOM 892 CA ASP A 146 66.214 -6.413 8.940 1.00 0.00 C ATOM 893 C ASP A 146 64.980 -6.980 8.234 1.00 0.00 C ATOM 894 O ASP A 146 63.894 -6.993 8.776 1.00 0.00 O ATOM 895 CB ASP A 146 65.911 -5.029 9.515 1.00 0.00 C ATOM 896 CG ASP A 146 65.558 -4.071 8.377 1.00 0.00 C ATOM 897 OD1 ASP A 146 65.110 -4.546 7.346 1.00 0.00 O ATOM 898 OD2 ASP A 146 65.742 -2.879 8.554 1.00 0.00 O ATOM 0 H ASP A 146 67.192 -5.384 7.346 1.00 0.00 H new ATOM 0 HA ASP A 146 66.492 -7.126 9.716 1.00 0.00 H new ATOM 0 HB2 ASP A 146 65.084 -5.090 10.223 1.00 0.00 H new ATOM 0 HB3 ASP A 146 66.774 -4.655 10.065 1.00 0.00 H new ATOM 903 N GLY A 147 65.140 -7.447 7.024 1.00 0.00 N ATOM 904 CA GLY A 147 63.975 -8.008 6.286 1.00 0.00 C ATOM 905 C GLY A 147 62.785 -7.058 6.418 1.00 0.00 C ATOM 906 O GLY A 147 61.643 -7.475 6.422 1.00 0.00 O ATOM 0 H GLY A 147 66.025 -7.464 6.517 1.00 0.00 H new ATOM 0 HA2 GLY A 147 64.229 -8.147 5.235 1.00 0.00 H new ATOM 0 HA3 GLY A 147 63.717 -8.989 6.684 1.00 0.00 H new ATOM 910 N ARG A 148 63.042 -5.783 6.530 1.00 0.00 N ATOM 911 CA ARG A 148 61.924 -4.806 6.666 1.00 0.00 C ATOM 912 C ARG A 148 62.380 -3.410 6.230 1.00 0.00 C ATOM 913 O ARG A 148 63.391 -2.907 6.680 1.00 0.00 O ATOM 914 CB ARG A 148 61.572 -4.813 8.154 1.00 0.00 C ATOM 915 CG ARG A 148 60.721 -6.044 8.475 1.00 0.00 C ATOM 916 CD ARG A 148 60.049 -5.856 9.838 1.00 0.00 C ATOM 917 NE ARG A 148 60.338 -7.110 10.587 1.00 0.00 N ATOM 918 CZ ARG A 148 60.460 -7.081 11.887 1.00 0.00 C ATOM 919 NH1 ARG A 148 59.541 -6.508 12.616 1.00 0.00 N ATOM 920 NH2 ARG A 148 61.502 -7.622 12.457 1.00 0.00 N ATOM 0 H ARG A 148 63.977 -5.376 6.533 1.00 0.00 H new ATOM 0 HA ARG A 148 61.070 -5.069 6.042 1.00 0.00 H new ATOM 0 HB2 ARG A 148 62.482 -4.822 8.753 1.00 0.00 H new ATOM 0 HB3 ARG A 148 61.028 -3.905 8.414 1.00 0.00 H new ATOM 0 HG2 ARG A 148 59.966 -6.190 7.702 1.00 0.00 H new ATOM 0 HG3 ARG A 148 61.344 -6.938 8.485 1.00 0.00 H new ATOM 0 HD2 ARG A 148 60.448 -4.985 10.358 1.00 0.00 H new ATOM 0 HD3 ARG A 148 58.976 -5.699 9.730 1.00 0.00 H new ATOM 0 HE ARG A 148 60.441 -7.992 10.085 1.00 0.00 H new ATOM 0 HH11 ARG A 148 58.728 -6.083 12.170 1.00 0.00 H new ATOM 0 HH12 ARG A 148 59.636 -6.485 13.631 1.00 0.00 H new ATOM 0 HH21 ARG A 148 62.221 -8.067 11.887 1.00 0.00 H new ATOM 0 HH22 ARG A 148 61.597 -7.599 13.472 1.00 0.00 H new ATOM 934 N ILE A 149 61.640 -2.780 5.360 1.00 0.00 N ATOM 935 CA ILE A 149 62.024 -1.415 4.896 1.00 0.00 C ATOM 936 C ILE A 149 61.525 -0.368 5.901 1.00 0.00 C ATOM 937 O ILE A 149 60.350 -0.295 6.203 1.00 0.00 O ATOM 938 CB ILE A 149 61.329 -1.255 3.537 1.00 0.00 C ATOM 939 CG1 ILE A 149 62.211 -1.861 2.441 1.00 0.00 C ATOM 940 CG2 ILE A 149 61.098 0.228 3.230 1.00 0.00 C ATOM 941 CD1 ILE A 149 61.330 -2.423 1.323 1.00 0.00 C ATOM 0 H ILE A 149 60.784 -3.152 4.949 1.00 0.00 H new ATOM 0 HA ILE A 149 63.103 -1.281 4.812 1.00 0.00 H new ATOM 0 HB ILE A 149 60.368 -1.768 3.570 1.00 0.00 H new ATOM 0 HG12 ILE A 149 62.883 -1.102 2.041 1.00 0.00 H new ATOM 0 HG13 ILE A 149 62.835 -2.652 2.858 1.00 0.00 H new ATOM 0 HG21 ILE A 149 60.604 0.327 2.263 1.00 0.00 H new ATOM 0 HG22 ILE A 149 60.469 0.666 4.005 1.00 0.00 H new ATOM 0 HG23 ILE A 149 62.056 0.747 3.203 1.00 0.00 H new ATOM 0 HD11 ILE A 149 61.960 -2.853 0.545 1.00 0.00 H new ATOM 0 HD12 ILE A 149 60.676 -3.195 1.728 1.00 0.00 H new ATOM 0 HD13 ILE A 149 60.726 -1.621 0.898 1.00 0.00 H new ATOM 953 N ASP A 150 62.409 0.440 6.420 1.00 0.00 N ATOM 954 CA ASP A 150 61.984 1.477 7.405 1.00 0.00 C ATOM 955 C ASP A 150 61.764 2.820 6.703 1.00 0.00 C ATOM 956 O ASP A 150 61.708 2.897 5.491 1.00 0.00 O ATOM 957 CB ASP A 150 63.140 1.576 8.402 1.00 0.00 C ATOM 958 CG ASP A 150 64.388 2.104 7.691 1.00 0.00 C ATOM 959 OD1 ASP A 150 64.570 1.774 6.531 1.00 0.00 O ATOM 960 OD2 ASP A 150 65.141 2.831 8.320 1.00 0.00 O ATOM 0 H ASP A 150 63.406 0.428 6.205 1.00 0.00 H new ATOM 0 HA ASP A 150 61.045 1.219 7.894 1.00 0.00 H new ATOM 0 HB2 ASP A 150 62.869 2.239 9.223 1.00 0.00 H new ATOM 0 HB3 ASP A 150 63.343 0.597 8.837 1.00 0.00 H new ATOM 965 N PHE A 151 61.637 3.879 7.456 1.00 0.00 N ATOM 966 CA PHE A 151 61.419 5.216 6.832 1.00 0.00 C ATOM 967 C PHE A 151 62.650 5.627 6.016 1.00 0.00 C ATOM 968 O PHE A 151 62.539 6.131 4.916 1.00 0.00 O ATOM 969 CB PHE A 151 61.196 6.170 8.010 1.00 0.00 C ATOM 970 CG PHE A 151 62.522 6.530 8.643 1.00 0.00 C ATOM 971 CD1 PHE A 151 63.045 5.739 9.674 1.00 0.00 C ATOM 972 CD2 PHE A 151 63.227 7.655 8.198 1.00 0.00 C ATOM 973 CE1 PHE A 151 64.271 6.073 10.259 1.00 0.00 C ATOM 974 CE2 PHE A 151 64.454 7.989 8.783 1.00 0.00 C ATOM 975 CZ PHE A 151 64.977 7.198 9.813 1.00 0.00 C ATOM 0 H PHE A 151 61.675 3.876 8.475 1.00 0.00 H new ATOM 0 HA PHE A 151 60.574 5.222 6.143 1.00 0.00 H new ATOM 0 HB2 PHE A 151 60.691 7.073 7.667 1.00 0.00 H new ATOM 0 HB3 PHE A 151 60.546 5.702 8.749 1.00 0.00 H new ATOM 0 HD1 PHE A 151 62.502 4.871 10.017 1.00 0.00 H new ATOM 0 HD2 PHE A 151 62.824 8.265 7.403 1.00 0.00 H new ATOM 0 HE1 PHE A 151 64.673 5.464 11.055 1.00 0.00 H new ATOM 0 HE2 PHE A 151 64.997 8.857 8.440 1.00 0.00 H new ATOM 0 HZ PHE A 151 65.924 7.455 10.264 1.00 0.00 H new ATOM 985 N ASP A 152 63.822 5.416 6.550 1.00 0.00 N ATOM 986 CA ASP A 152 65.060 5.794 5.810 1.00 0.00 C ATOM 987 C ASP A 152 65.190 4.962 4.532 1.00 0.00 C ATOM 988 O ASP A 152 65.258 5.491 3.440 1.00 0.00 O ATOM 989 CB ASP A 152 66.205 5.481 6.773 1.00 0.00 C ATOM 990 CG ASP A 152 66.977 6.765 7.091 1.00 0.00 C ATOM 991 OD1 ASP A 152 66.729 7.761 6.432 1.00 0.00 O ATOM 992 OD2 ASP A 152 67.804 6.728 7.986 1.00 0.00 O ATOM 0 H ASP A 152 63.976 4.998 7.468 1.00 0.00 H new ATOM 0 HA ASP A 152 65.056 6.841 5.506 1.00 0.00 H new ATOM 0 HB2 ASP A 152 65.812 5.045 7.691 1.00 0.00 H new ATOM 0 HB3 ASP A 152 66.874 4.743 6.330 1.00 0.00 H new ATOM 997 N GLU A 153 65.228 3.663 4.657 1.00 0.00 N ATOM 998 CA GLU A 153 65.355 2.802 3.446 1.00 0.00 C ATOM 999 C GLU A 153 64.151 3.008 2.523 1.00 0.00 C ATOM 1000 O GLU A 153 64.288 3.109 1.319 1.00 0.00 O ATOM 1001 CB GLU A 153 65.387 1.368 3.981 1.00 0.00 C ATOM 1002 CG GLU A 153 66.565 1.212 4.944 1.00 0.00 C ATOM 1003 CD GLU A 153 66.341 -0.016 5.829 1.00 0.00 C ATOM 1004 OE1 GLU A 153 65.782 -0.982 5.338 1.00 0.00 O ATOM 1005 OE2 GLU A 153 66.735 0.031 6.983 1.00 0.00 O ATOM 0 H GLU A 153 65.177 3.161 5.544 1.00 0.00 H new ATOM 0 HA GLU A 153 66.245 3.037 2.862 1.00 0.00 H new ATOM 0 HB2 GLU A 153 64.452 1.138 4.492 1.00 0.00 H new ATOM 0 HB3 GLU A 153 65.481 0.662 3.156 1.00 0.00 H new ATOM 0 HG2 GLU A 153 67.494 1.106 4.384 1.00 0.00 H new ATOM 0 HG3 GLU A 153 66.665 2.105 5.561 1.00 0.00 H new ATOM 1012 N PHE A 154 62.971 3.075 3.076 1.00 0.00 N ATOM 1013 CA PHE A 154 61.759 3.279 2.230 1.00 0.00 C ATOM 1014 C PHE A 154 61.909 4.554 1.396 1.00 0.00 C ATOM 1015 O PHE A 154 61.974 4.510 0.184 1.00 0.00 O ATOM 1016 CB PHE A 154 60.605 3.422 3.222 1.00 0.00 C ATOM 1017 CG PHE A 154 59.324 3.679 2.469 1.00 0.00 C ATOM 1018 CD1 PHE A 154 59.020 2.924 1.331 1.00 0.00 C ATOM 1019 CD2 PHE A 154 58.441 4.671 2.908 1.00 0.00 C ATOM 1020 CE1 PHE A 154 57.832 3.161 0.631 1.00 0.00 C ATOM 1021 CE2 PHE A 154 57.252 4.909 2.208 1.00 0.00 C ATOM 1022 CZ PHE A 154 56.948 4.154 1.069 1.00 0.00 C ATOM 0 H PHE A 154 62.793 2.997 4.077 1.00 0.00 H new ATOM 0 HA PHE A 154 61.598 2.458 1.532 1.00 0.00 H new ATOM 0 HB2 PHE A 154 60.512 2.516 3.821 1.00 0.00 H new ATOM 0 HB3 PHE A 154 60.804 4.242 3.912 1.00 0.00 H new ATOM 0 HD1 PHE A 154 59.702 2.158 0.993 1.00 0.00 H new ATOM 0 HD2 PHE A 154 58.676 5.253 3.787 1.00 0.00 H new ATOM 0 HE1 PHE A 154 57.597 2.578 -0.247 1.00 0.00 H new ATOM 0 HE2 PHE A 154 56.570 5.675 2.547 1.00 0.00 H new ATOM 0 HZ PHE A 154 56.031 4.338 0.528 1.00 0.00 H new ATOM 1032 N LEU A 155 61.965 5.687 2.038 1.00 0.00 N ATOM 1033 CA LEU A 155 62.114 6.964 1.284 1.00 0.00 C ATOM 1034 C LEU A 155 63.185 6.811 0.202 1.00 0.00 C ATOM 1035 O LEU A 155 62.983 7.166 -0.941 1.00 0.00 O ATOM 1036 CB LEU A 155 62.549 7.992 2.328 1.00 0.00 C ATOM 1037 CG LEU A 155 61.360 8.343 3.224 1.00 0.00 C ATOM 1038 CD1 LEU A 155 61.764 9.449 4.201 1.00 0.00 C ATOM 1039 CD2 LEU A 155 60.199 8.832 2.356 1.00 0.00 C ATOM 0 H LEU A 155 61.914 5.785 3.052 1.00 0.00 H new ATOM 0 HA LEU A 155 61.193 7.260 0.782 1.00 0.00 H new ATOM 0 HB2 LEU A 155 63.366 7.592 2.929 1.00 0.00 H new ATOM 0 HB3 LEU A 155 62.925 8.889 1.836 1.00 0.00 H new ATOM 0 HG LEU A 155 61.053 7.459 3.783 1.00 0.00 H new ATOM 0 HD11 LEU A 155 60.916 9.698 4.839 1.00 0.00 H new ATOM 0 HD12 LEU A 155 62.594 9.104 4.818 1.00 0.00 H new ATOM 0 HD13 LEU A 155 62.071 10.334 3.643 1.00 0.00 H new ATOM 0 HD21 LEU A 155 59.350 9.083 2.992 1.00 0.00 H new ATOM 0 HD22 LEU A 155 60.509 9.716 1.799 1.00 0.00 H new ATOM 0 HD23 LEU A 155 59.910 8.046 1.658 1.00 0.00 H new ATOM 1051 N LYS A 156 64.326 6.284 0.557 1.00 0.00 N ATOM 1052 CA LYS A 156 65.410 6.106 -0.449 1.00 0.00 C ATOM 1053 C LYS A 156 64.852 5.478 -1.728 1.00 0.00 C ATOM 1054 O LYS A 156 65.131 5.925 -2.823 1.00 0.00 O ATOM 1055 CB LYS A 156 66.417 5.168 0.217 1.00 0.00 C ATOM 1056 CG LYS A 156 67.837 5.610 -0.139 1.00 0.00 C ATOM 1057 CD LYS A 156 68.797 4.432 0.034 1.00 0.00 C ATOM 1058 CE LYS A 156 70.198 4.958 0.349 1.00 0.00 C ATOM 1059 NZ LYS A 156 70.221 5.120 1.829 1.00 0.00 N ATOM 0 H LYS A 156 64.553 5.969 1.500 1.00 0.00 H new ATOM 0 HA LYS A 156 65.865 7.054 -0.737 1.00 0.00 H new ATOM 0 HB2 LYS A 156 66.281 5.180 1.298 1.00 0.00 H new ATOM 0 HB3 LYS A 156 66.250 4.143 -0.114 1.00 0.00 H new ATOM 0 HG2 LYS A 156 67.870 5.971 -1.167 1.00 0.00 H new ATOM 0 HG3 LYS A 156 68.142 6.438 0.500 1.00 0.00 H new ATOM 0 HD2 LYS A 156 68.451 3.783 0.838 1.00 0.00 H new ATOM 0 HD3 LYS A 156 68.819 3.830 -0.875 1.00 0.00 H new ATOM 0 HE2 LYS A 156 70.966 4.260 0.016 1.00 0.00 H new ATOM 0 HE3 LYS A 156 70.387 5.906 -0.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 156 71.151 5.478 2.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 156 69.483 5.794 2.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 156 70.044 4.200 2.282 1.00 0.00 H new ATOM 1073 N MET A 157 64.064 4.444 -1.601 1.00 0.00 N ATOM 1074 CA MET A 157 63.492 3.794 -2.815 1.00 0.00 C ATOM 1075 C MET A 157 62.427 4.703 -3.443 1.00 0.00 C ATOM 1076 O MET A 157 62.483 5.019 -4.616 1.00 0.00 O ATOM 1077 CB MET A 157 62.913 2.455 -2.311 1.00 0.00 C ATOM 1078 CG MET A 157 61.376 2.465 -2.296 1.00 0.00 C ATOM 1079 SD MET A 157 60.769 0.760 -2.217 1.00 0.00 S ATOM 1080 CE MET A 157 60.951 0.530 -0.432 1.00 0.00 C ATOM 0 H MET A 157 63.793 4.023 -0.713 1.00 0.00 H new ATOM 0 HA MET A 157 64.228 3.621 -3.600 1.00 0.00 H new ATOM 0 HB2 MET A 157 63.265 1.644 -2.949 1.00 0.00 H new ATOM 0 HB3 MET A 157 63.285 2.254 -1.306 1.00 0.00 H new ATOM 0 HG2 MET A 157 61.013 3.033 -1.440 1.00 0.00 H new ATOM 0 HG3 MET A 157 60.995 2.958 -3.190 1.00 0.00 H new ATOM 0 HE1 MET A 157 61.663 -0.273 -0.239 1.00 0.00 H new ATOM 0 HE2 MET A 157 61.314 1.454 0.019 1.00 0.00 H new ATOM 0 HE3 MET A 157 59.985 0.270 0.002 1.00 0.00 H new ATOM 1090 N MET A 158 61.462 5.130 -2.675 1.00 0.00 N ATOM 1091 CA MET A 158 60.406 6.020 -3.239 1.00 0.00 C ATOM 1092 C MET A 158 61.048 7.115 -4.094 1.00 0.00 C ATOM 1093 O MET A 158 60.516 7.515 -5.111 1.00 0.00 O ATOM 1094 CB MET A 158 59.702 6.627 -2.025 1.00 0.00 C ATOM 1095 CG MET A 158 58.516 5.745 -1.630 1.00 0.00 C ATOM 1096 SD MET A 158 57.310 5.716 -2.980 1.00 0.00 S ATOM 1097 CE MET A 158 56.768 4.003 -2.763 1.00 0.00 C ATOM 0 H MET A 158 61.359 4.903 -1.686 1.00 0.00 H new ATOM 0 HA MET A 158 59.709 5.481 -3.880 1.00 0.00 H new ATOM 0 HB2 MET A 158 60.399 6.712 -1.192 1.00 0.00 H new ATOM 0 HB3 MET A 158 59.358 7.635 -2.257 1.00 0.00 H new ATOM 0 HG2 MET A 158 58.858 4.733 -1.412 1.00 0.00 H new ATOM 0 HG3 MET A 158 58.051 6.127 -0.721 1.00 0.00 H new ATOM 0 HE1 MET A 158 56.021 3.759 -3.518 1.00 0.00 H new ATOM 0 HE2 MET A 158 57.623 3.335 -2.869 1.00 0.00 H new ATOM 0 HE3 MET A 158 56.333 3.882 -1.771 1.00 0.00 H new ATOM 1107 N GLU A 159 62.192 7.600 -3.689 1.00 0.00 N ATOM 1108 CA GLU A 159 62.873 8.665 -4.481 1.00 0.00 C ATOM 1109 C GLU A 159 63.256 8.127 -5.862 1.00 0.00 C ATOM 1110 O GLU A 159 63.116 8.800 -6.863 1.00 0.00 O ATOM 1111 CB GLU A 159 64.125 9.018 -3.675 1.00 0.00 C ATOM 1112 CG GLU A 159 64.433 10.509 -3.837 1.00 0.00 C ATOM 1113 CD GLU A 159 63.464 11.327 -2.982 1.00 0.00 C ATOM 1114 OE1 GLU A 159 62.346 11.535 -3.423 1.00 0.00 O ATOM 1115 OE2 GLU A 159 63.857 11.732 -1.900 1.00 0.00 O ATOM 0 H GLU A 159 62.683 7.305 -2.845 1.00 0.00 H new ATOM 0 HA GLU A 159 62.236 9.534 -4.643 1.00 0.00 H new ATOM 0 HB2 GLU A 159 63.972 8.780 -2.622 1.00 0.00 H new ATOM 0 HB3 GLU A 159 64.971 8.422 -4.017 1.00 0.00 H new ATOM 0 HG2 GLU A 159 65.461 10.713 -3.537 1.00 0.00 H new ATOM 0 HG3 GLU A 159 64.343 10.798 -4.884 1.00 0.00 H new ATOM 1122 N GLY A 160 63.733 6.913 -5.922 1.00 0.00 N ATOM 1123 CA GLY A 160 64.120 6.326 -7.237 1.00 0.00 C ATOM 1124 C GLY A 160 63.226 5.122 -7.537 1.00 0.00 C ATOM 1125 O GLY A 160 63.688 4.004 -7.644 1.00 0.00 O ATOM 0 H GLY A 160 63.871 6.302 -5.117 1.00 0.00 H new ATOM 0 HA2 GLY A 160 64.020 7.073 -8.025 1.00 0.00 H new ATOM 0 HA3 GLY A 160 65.166 6.021 -7.218 1.00 0.00 H new ATOM 1129 N VAL A 161 61.946 5.342 -7.671 1.00 0.00 N ATOM 1130 CA VAL A 161 61.019 4.211 -7.962 1.00 0.00 C ATOM 1131 C VAL A 161 61.560 3.359 -9.113 1.00 0.00 C ATOM 1132 O VAL A 161 62.138 3.866 -10.054 1.00 0.00 O ATOM 1133 CB VAL A 161 59.699 4.873 -8.359 1.00 0.00 C ATOM 1134 CG1 VAL A 161 58.714 3.803 -8.834 1.00 0.00 C ATOM 1135 CG2 VAL A 161 59.113 5.603 -7.149 1.00 0.00 C ATOM 0 H VAL A 161 61.502 6.257 -7.591 1.00 0.00 H new ATOM 0 HA VAL A 161 60.902 3.546 -7.107 1.00 0.00 H new ATOM 0 HB VAL A 161 59.877 5.586 -9.164 1.00 0.00 H new ATOM 0 HG11 VAL A 161 57.773 4.275 -9.117 1.00 0.00 H new ATOM 0 HG12 VAL A 161 59.131 3.281 -9.695 1.00 0.00 H new ATOM 0 HG13 VAL A 161 58.535 3.090 -8.029 1.00 0.00 H new ATOM 0 HG21 VAL A 161 58.172 6.076 -7.430 1.00 0.00 H new ATOM 0 HG22 VAL A 161 58.935 4.889 -6.345 1.00 0.00 H new ATOM 0 HG23 VAL A 161 59.814 6.365 -6.809 1.00 0.00 H new ATOM 1145 N GLN A 162 61.377 2.069 -9.044 1.00 0.00 N ATOM 1146 CA GLN A 162 61.879 1.184 -10.133 1.00 0.00 C ATOM 1147 C GLN A 162 63.380 1.400 -10.342 1.00 0.00 C ATOM 1148 O GLN A 162 63.739 1.985 -11.351 1.00 0.00 O ATOM 1149 CB GLN A 162 61.096 1.606 -11.377 1.00 0.00 C ATOM 1150 CG GLN A 162 60.249 0.431 -11.870 1.00 0.00 C ATOM 1151 CD GLN A 162 58.802 0.889 -12.069 1.00 0.00 C ATOM 1152 OE1 GLN A 162 58.214 1.482 -11.187 1.00 0.00 O ATOM 1153 NE2 GLN A 162 58.202 0.636 -13.199 1.00 0.00 N ATOM 1154 OXT GLN A 162 64.143 0.977 -9.490 1.00 0.00 O ATOM 0 H GLN A 162 60.901 1.589 -8.280 1.00 0.00 H new ATOM 0 HA GLN A 162 61.741 0.127 -9.904 1.00 0.00 H new ATOM 0 HB2 GLN A 162 60.456 2.457 -11.145 1.00 0.00 H new ATOM 0 HB3 GLN A 162 61.783 1.927 -12.160 1.00 0.00 H new ATOM 0 HG2 GLN A 162 60.652 0.047 -12.807 1.00 0.00 H new ATOM 0 HG3 GLN A 162 60.287 -0.385 -11.149 1.00 0.00 H new ATOM 0 HE21 GLN A 162 58.697 0.138 -13.939 1.00 0.00 H new ATOM 0 HE22 GLN A 162 57.238 0.936 -13.343 1.00 0.00 H new TER 1163 GLN A 162 HETATM 1164 CA CA A 2 53.777 -3.797 8.644 1.00 0.00 CA HETATM 1165 CA CA A 3 66.179 -2.567 6.636 1.00 0.00 CA