USER MOD reduce.3.24.130724 H: found=0, std=0, add=860, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 862 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 94 THR OG1 : rot -145:sc= -1.69! USER MOD Set 1.2: A 96 TYR OH : rot 97:sc= 0.269 USER MOD Set 2.1: A 66 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 74 ASN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Set 3.1: A 18 LYS NZ :NH3+ -152:sc= -3.51! (180deg=-3.65!) USER MOD Set 3.2: A 20 TYR OH : rot 180:sc= 0.583 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 177:sc= -0.166 (180deg=-0.185) USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.0174 USER MOD Single : A 10 THR OG1 : rot -22:sc= 0.71 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 99:sc= 0.71 USER MOD Single : A 14 THR OG1 : rot 6:sc= 0.821! USER MOD Single : A 17 SER OG : rot 180:sc= -0.951 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 151:sc= 0.365 (180deg=-0.218) USER MOD Single : A 43 HIS : no HD1:sc=-0.00298 X(o=-0.003,f=-0.038) USER MOD Single : A 45 ASN : amide:sc= -0.0427 K(o=-0.043,f=-1.6!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.061) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HE2:sc= 0.11 K(o=0.11,f=-4.6!) USER MOD Single : A 69 ASN : amide:sc= -0.19 K(o=-0.19,f=-2!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.0953 K(o=-0.095,f=-2.3!) USER MOD Single : A 79 ASN : amide:sc= -2.25! C(o=-2.3!,f=-11!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -162:sc= -0.0263 (180deg=-0.365) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -2.49 K(o=-2.5,f=-4.5!) USER MOD Single : A 88 MET CE :methyl 150:sc= -0.142 (180deg=-0.924) USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -0.21 K(o=-0.21,f=-3.1!) USER MOD Single : A 93 ASN : amide:sc= -2.4! C(o=-2.4!,f=-5.7!) USER MOD Single : A 97 SER OG : rot 39:sc= -0.883 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -0.0137 K(o=-0.014,f=-1.2) USER MOD Single : A 108 LYS NZ :NH3+ 171:sc= -2.5 (180deg=-2.88) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 179:sc= -4.76! (180deg=-4.88!) USER MOD Single : A 117 ASN : amide:sc= -0.0683 K(o=-0.068,f=-1.3!) USER MOD Single : A 119 LYS NZ :NH3+ -164:sc= -0.075 (180deg=-0.52) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 THR OG1 : rot 22:sc=-0.00322 USER MOD ----------------------------------------------------------------- ATOM 18 N LYS A 2 116.992 12.270 -5.061 1.00 0.00 N ATOM 19 CA LYS A 2 116.566 10.874 -4.759 1.00 0.00 C ATOM 20 C LYS A 2 116.656 10.630 -3.249 1.00 0.00 C ATOM 21 O LYS A 2 117.369 11.312 -2.542 1.00 0.00 O ATOM 22 CB LYS A 2 117.468 9.888 -5.503 1.00 0.00 C ATOM 23 CG LYS A 2 117.212 10.002 -7.009 1.00 0.00 C ATOM 24 CD LYS A 2 118.104 9.009 -7.759 1.00 0.00 C ATOM 25 CE LYS A 2 117.826 9.104 -9.262 1.00 0.00 C ATOM 26 NZ LYS A 2 118.699 8.142 -9.991 1.00 0.00 N ATOM 0 HA LYS A 2 115.536 10.728 -5.086 1.00 0.00 H new ATOM 0 HB2 LYS A 2 118.515 10.099 -5.284 1.00 0.00 H new ATOM 0 HB3 LYS A 2 117.270 8.871 -5.165 1.00 0.00 H new ATOM 0 HG2 LYS A 2 116.163 9.800 -7.226 1.00 0.00 H new ATOM 0 HG3 LYS A 2 117.417 11.018 -7.347 1.00 0.00 H new ATOM 0 HD2 LYS A 2 119.154 9.224 -7.559 1.00 0.00 H new ATOM 0 HD3 LYS A 2 117.913 7.995 -7.407 1.00 0.00 H new ATOM 0 HE2 LYS A 2 116.777 8.884 -9.463 1.00 0.00 H new ATOM 0 HE3 LYS A 2 118.012 10.119 -9.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 118.510 8.207 -11.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 119.697 8.371 -9.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 118.500 7.175 -9.663 1.00 0.00 H new ATOM 40 N VAL A 3 115.925 9.671 -2.750 1.00 0.00 N ATOM 41 CA VAL A 3 115.951 9.391 -1.285 1.00 0.00 C ATOM 42 C VAL A 3 116.951 8.274 -0.982 1.00 0.00 C ATOM 43 O VAL A 3 116.989 7.263 -1.655 1.00 0.00 O ATOM 44 CB VAL A 3 114.559 8.946 -0.835 1.00 0.00 C ATOM 45 CG1 VAL A 3 114.607 8.518 0.634 1.00 0.00 C ATOM 46 CG2 VAL A 3 113.570 10.103 -1.002 1.00 0.00 C ATOM 0 H VAL A 3 115.309 9.067 -3.295 1.00 0.00 H new ATOM 0 HA VAL A 3 116.248 10.295 -0.754 1.00 0.00 H new ATOM 0 HB VAL A 3 114.234 8.104 -1.446 1.00 0.00 H new ATOM 0 HG11 VAL A 3 113.614 8.201 0.953 1.00 0.00 H new ATOM 0 HG12 VAL A 3 115.307 7.690 0.749 1.00 0.00 H new ATOM 0 HG13 VAL A 3 114.934 9.358 1.247 1.00 0.00 H new ATOM 0 HG21 VAL A 3 112.579 9.783 -0.681 1.00 0.00 H new ATOM 0 HG22 VAL A 3 113.893 10.949 -0.395 1.00 0.00 H new ATOM 0 HG23 VAL A 3 113.533 10.402 -2.050 1.00 0.00 H new ATOM 56 N LYS A 4 117.762 8.441 0.028 1.00 0.00 N ATOM 57 CA LYS A 4 118.742 7.372 0.361 1.00 0.00 C ATOM 58 C LYS A 4 117.979 6.160 0.897 1.00 0.00 C ATOM 59 O LYS A 4 117.236 6.251 1.861 1.00 0.00 O ATOM 60 CB LYS A 4 119.717 7.872 1.431 1.00 0.00 C ATOM 61 CG LYS A 4 120.488 9.090 0.913 1.00 0.00 C ATOM 62 CD LYS A 4 121.383 8.676 -0.259 1.00 0.00 C ATOM 63 CE LYS A 4 122.479 9.722 -0.459 1.00 0.00 C ATOM 64 NZ LYS A 4 121.864 11.011 -0.885 1.00 0.00 N ATOM 0 H LYS A 4 117.788 9.264 0.631 1.00 0.00 H new ATOM 0 HA LYS A 4 119.305 7.099 -0.531 1.00 0.00 H new ATOM 0 HB2 LYS A 4 119.171 8.136 2.337 1.00 0.00 H new ATOM 0 HB3 LYS A 4 120.414 7.078 1.699 1.00 0.00 H new ATOM 0 HG2 LYS A 4 119.791 9.865 0.594 1.00 0.00 H new ATOM 0 HG3 LYS A 4 121.094 9.516 1.713 1.00 0.00 H new ATOM 0 HD2 LYS A 4 121.828 7.700 -0.063 1.00 0.00 H new ATOM 0 HD3 LYS A 4 120.789 8.579 -1.167 1.00 0.00 H new ATOM 0 HE2 LYS A 4 123.037 9.861 0.467 1.00 0.00 H new ATOM 0 HE3 LYS A 4 123.190 9.380 -1.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 122.604 11.737 -0.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 121.394 10.884 -1.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 121.165 11.313 -0.177 1.00 0.00 H new ATOM 78 N GLY A 5 118.150 5.025 0.280 1.00 0.00 N ATOM 79 CA GLY A 5 117.426 3.817 0.755 1.00 0.00 C ATOM 80 C GLY A 5 117.741 2.637 -0.159 1.00 0.00 C ATOM 81 O GLY A 5 118.477 2.762 -1.117 1.00 0.00 O ATOM 0 H GLY A 5 118.756 4.883 -0.528 1.00 0.00 H new ATOM 0 HA2 GLY A 5 117.719 3.585 1.779 1.00 0.00 H new ATOM 0 HA3 GLY A 5 116.352 4.005 0.765 1.00 0.00 H new ATOM 85 N CYS A 6 117.184 1.492 0.129 1.00 0.00 N ATOM 86 CA CYS A 6 117.442 0.292 -0.719 1.00 0.00 C ATOM 87 C CYS A 6 116.123 -0.199 -1.315 1.00 0.00 C ATOM 88 O CYS A 6 115.144 -0.381 -0.618 1.00 0.00 O ATOM 89 CB CYS A 6 118.059 -0.808 0.145 1.00 0.00 C ATOM 90 SG CYS A 6 118.967 -1.969 -0.906 1.00 0.00 S ATOM 0 H CYS A 6 116.558 1.335 0.919 1.00 0.00 H new ATOM 0 HA CYS A 6 118.128 0.549 -1.526 1.00 0.00 H new ATOM 0 HB2 CYS A 6 118.730 -0.370 0.884 1.00 0.00 H new ATOM 0 HB3 CYS A 6 117.278 -1.334 0.695 1.00 0.00 H new ATOM 95 N ASP A 7 116.096 -0.417 -2.601 1.00 0.00 N ATOM 96 CA ASP A 7 114.847 -0.904 -3.254 1.00 0.00 C ATOM 97 C ASP A 7 115.010 -2.380 -3.621 1.00 0.00 C ATOM 98 O ASP A 7 115.745 -2.726 -4.524 1.00 0.00 O ATOM 99 CB ASP A 7 114.585 -0.088 -4.521 1.00 0.00 C ATOM 100 CG ASP A 7 113.156 -0.338 -5.004 1.00 0.00 C ATOM 101 OD1 ASP A 7 112.607 -1.371 -4.658 1.00 0.00 O ATOM 102 OD2 ASP A 7 112.633 0.507 -5.710 1.00 0.00 O ATOM 0 H ASP A 7 116.887 -0.279 -3.230 1.00 0.00 H new ATOM 0 HA ASP A 7 114.007 -0.790 -2.569 1.00 0.00 H new ATOM 0 HB2 ASP A 7 114.731 0.973 -4.319 1.00 0.00 H new ATOM 0 HB3 ASP A 7 115.297 -0.366 -5.299 1.00 0.00 H new ATOM 107 N PHE A 8 114.324 -3.252 -2.932 1.00 0.00 N ATOM 108 CA PHE A 8 114.433 -4.703 -3.248 1.00 0.00 C ATOM 109 C PHE A 8 113.380 -5.063 -4.297 1.00 0.00 C ATOM 110 O PHE A 8 113.233 -6.205 -4.684 1.00 0.00 O ATOM 111 CB PHE A 8 114.189 -5.525 -1.979 1.00 0.00 C ATOM 112 CG PHE A 8 115.302 -5.281 -0.989 1.00 0.00 C ATOM 113 CD1 PHE A 8 116.486 -6.024 -1.066 1.00 0.00 C ATOM 114 CD2 PHE A 8 115.148 -4.313 0.012 1.00 0.00 C ATOM 115 CE1 PHE A 8 117.513 -5.799 -0.144 1.00 0.00 C ATOM 116 CE2 PHE A 8 116.176 -4.090 0.935 1.00 0.00 C ATOM 117 CZ PHE A 8 117.359 -4.832 0.857 1.00 0.00 C ATOM 0 H PHE A 8 113.693 -3.021 -2.164 1.00 0.00 H new ATOM 0 HA PHE A 8 115.429 -4.922 -3.632 1.00 0.00 H new ATOM 0 HB2 PHE A 8 113.231 -5.252 -1.537 1.00 0.00 H new ATOM 0 HB3 PHE A 8 114.136 -6.585 -2.226 1.00 0.00 H new ATOM 0 HD1 PHE A 8 116.606 -6.771 -1.837 1.00 0.00 H new ATOM 0 HD2 PHE A 8 114.235 -3.739 0.071 1.00 0.00 H new ATOM 0 HE1 PHE A 8 118.426 -6.372 -0.204 1.00 0.00 H new ATOM 0 HE2 PHE A 8 116.056 -3.345 1.708 1.00 0.00 H new ATOM 0 HZ PHE A 8 118.153 -4.659 1.568 1.00 0.00 H new ATOM 127 N THR A 9 112.628 -4.092 -4.738 1.00 0.00 N ATOM 128 CA THR A 9 111.561 -4.367 -5.743 1.00 0.00 C ATOM 129 C THR A 9 112.005 -3.910 -7.136 1.00 0.00 C ATOM 130 O THR A 9 111.426 -4.295 -8.132 1.00 0.00 O ATOM 131 CB THR A 9 110.295 -3.608 -5.341 1.00 0.00 C ATOM 132 OG1 THR A 9 110.007 -3.863 -3.974 1.00 0.00 O ATOM 133 CG2 THR A 9 109.122 -4.071 -6.205 1.00 0.00 C ATOM 0 H THR A 9 112.706 -3.118 -4.445 1.00 0.00 H new ATOM 0 HA THR A 9 111.366 -5.439 -5.773 1.00 0.00 H new ATOM 0 HB THR A 9 110.451 -2.539 -5.488 1.00 0.00 H new ATOM 0 HG1 THR A 9 109.197 -3.376 -3.714 1.00 0.00 H new ATOM 0 HG21 THR A 9 108.221 -3.529 -5.917 1.00 0.00 H new ATOM 0 HG22 THR A 9 109.343 -3.875 -7.254 1.00 0.00 H new ATOM 0 HG23 THR A 9 108.964 -5.140 -6.061 1.00 0.00 H new ATOM 141 N THR A 10 113.011 -3.082 -7.225 1.00 0.00 N ATOM 142 CA THR A 10 113.454 -2.609 -8.568 1.00 0.00 C ATOM 143 C THR A 10 114.913 -2.150 -8.517 1.00 0.00 C ATOM 144 O THR A 10 115.284 -1.315 -7.714 1.00 0.00 O ATOM 145 CB THR A 10 112.569 -1.437 -9.005 1.00 0.00 C ATOM 146 OG1 THR A 10 111.208 -1.846 -9.002 1.00 0.00 O ATOM 147 CG2 THR A 10 112.965 -0.988 -10.413 1.00 0.00 C ATOM 0 H THR A 10 113.541 -2.716 -6.434 1.00 0.00 H new ATOM 0 HA THR A 10 113.368 -3.430 -9.280 1.00 0.00 H new ATOM 0 HB THR A 10 112.702 -0.606 -8.312 1.00 0.00 H new ATOM 0 HG1 THR A 10 111.160 -2.822 -9.070 1.00 0.00 H new ATOM 0 HG21 THR A 10 112.333 -0.154 -10.720 1.00 0.00 H new ATOM 0 HG22 THR A 10 114.008 -0.672 -10.414 1.00 0.00 H new ATOM 0 HG23 THR A 10 112.836 -1.817 -11.109 1.00 0.00 H new ATOM 155 N SER A 11 115.741 -2.684 -9.374 1.00 0.00 N ATOM 156 CA SER A 11 117.171 -2.268 -9.375 1.00 0.00 C ATOM 157 C SER A 11 117.257 -0.791 -9.751 1.00 0.00 C ATOM 158 O SER A 11 118.164 -0.087 -9.350 1.00 0.00 O ATOM 159 CB SER A 11 117.945 -3.098 -10.403 1.00 0.00 C ATOM 160 OG SER A 11 119.320 -3.132 -10.041 1.00 0.00 O ATOM 0 H SER A 11 115.490 -3.387 -10.070 1.00 0.00 H new ATOM 0 HA SER A 11 117.601 -2.426 -8.386 1.00 0.00 H new ATOM 0 HB2 SER A 11 117.544 -4.110 -10.446 1.00 0.00 H new ATOM 0 HB3 SER A 11 117.829 -2.666 -11.397 1.00 0.00 H new ATOM 0 HG SER A 11 119.818 -3.664 -10.696 1.00 0.00 H new ATOM 166 N GLU A 12 116.309 -0.316 -10.514 1.00 0.00 N ATOM 167 CA GLU A 12 116.315 1.119 -10.920 1.00 0.00 C ATOM 168 C GLU A 12 115.130 1.826 -10.261 1.00 0.00 C ATOM 169 O GLU A 12 114.145 2.137 -10.901 1.00 0.00 O ATOM 170 CB GLU A 12 116.179 1.212 -12.441 1.00 0.00 C ATOM 171 CG GLU A 12 117.414 0.603 -13.107 1.00 0.00 C ATOM 172 CD GLU A 12 118.648 1.430 -12.747 1.00 0.00 C ATOM 173 OE1 GLU A 12 118.476 2.569 -12.341 1.00 0.00 O ATOM 174 OE2 GLU A 12 119.745 0.913 -12.884 1.00 0.00 O ATOM 0 H GLU A 12 115.527 -0.863 -10.875 1.00 0.00 H new ATOM 0 HA GLU A 12 117.247 1.590 -10.608 1.00 0.00 H new ATOM 0 HB2 GLU A 12 115.281 0.687 -12.768 1.00 0.00 H new ATOM 0 HB3 GLU A 12 116.067 2.253 -12.743 1.00 0.00 H new ATOM 0 HG2 GLU A 12 117.546 -0.428 -12.779 1.00 0.00 H new ATOM 0 HG3 GLU A 12 117.282 0.579 -14.189 1.00 0.00 H new ATOM 181 N SER A 13 115.215 2.070 -8.985 1.00 0.00 N ATOM 182 CA SER A 13 114.088 2.743 -8.281 1.00 0.00 C ATOM 183 C SER A 13 113.960 4.191 -8.753 1.00 0.00 C ATOM 184 O SER A 13 114.927 4.829 -9.119 1.00 0.00 O ATOM 185 CB SER A 13 114.346 2.728 -6.775 1.00 0.00 C ATOM 186 OG SER A 13 113.250 3.336 -6.104 1.00 0.00 O ATOM 0 H SER A 13 116.015 1.833 -8.398 1.00 0.00 H new ATOM 0 HA SER A 13 113.164 2.210 -8.505 1.00 0.00 H new ATOM 0 HB2 SER A 13 114.477 1.703 -6.427 1.00 0.00 H new ATOM 0 HB3 SER A 13 115.268 3.262 -6.547 1.00 0.00 H new ATOM 0 HG SER A 13 112.654 2.641 -5.755 1.00 0.00 H new ATOM 192 N THR A 14 112.769 4.716 -8.726 1.00 0.00 N ATOM 193 CA THR A 14 112.560 6.129 -9.147 1.00 0.00 C ATOM 194 C THR A 14 112.479 7.001 -7.897 1.00 0.00 C ATOM 195 O THR A 14 112.320 8.203 -7.972 1.00 0.00 O ATOM 196 CB THR A 14 111.252 6.242 -9.933 1.00 0.00 C ATOM 197 OG1 THR A 14 110.805 7.591 -9.914 1.00 0.00 O ATOM 198 CG2 THR A 14 110.192 5.342 -9.294 1.00 0.00 C ATOM 0 H THR A 14 111.926 4.225 -8.429 1.00 0.00 H new ATOM 0 HA THR A 14 113.385 6.456 -9.779 1.00 0.00 H new ATOM 0 HB THR A 14 111.418 5.929 -10.964 1.00 0.00 H new ATOM 0 HG1 THR A 14 111.485 8.155 -9.490 1.00 0.00 H new ATOM 0 HG21 THR A 14 109.260 5.423 -9.854 1.00 0.00 H new ATOM 0 HG22 THR A 14 110.536 4.308 -9.309 1.00 0.00 H new ATOM 0 HG23 THR A 14 110.024 5.654 -8.263 1.00 0.00 H new ATOM 206 N ILE A 15 112.598 6.394 -6.745 1.00 0.00 N ATOM 207 CA ILE A 15 112.539 7.166 -5.470 1.00 0.00 C ATOM 208 C ILE A 15 113.788 6.896 -4.627 1.00 0.00 C ATOM 209 O ILE A 15 114.134 7.677 -3.764 1.00 0.00 O ATOM 210 CB ILE A 15 111.287 6.761 -4.693 1.00 0.00 C ATOM 211 CG1 ILE A 15 111.206 5.236 -4.624 1.00 0.00 C ATOM 212 CG2 ILE A 15 110.046 7.304 -5.402 1.00 0.00 C ATOM 213 CD1 ILE A 15 110.096 4.826 -3.654 1.00 0.00 C ATOM 0 H ILE A 15 112.734 5.389 -6.633 1.00 0.00 H new ATOM 0 HA ILE A 15 112.499 8.231 -5.697 1.00 0.00 H new ATOM 0 HB ILE A 15 111.336 7.172 -3.684 1.00 0.00 H new ATOM 0 HG12 ILE A 15 111.007 4.827 -5.615 1.00 0.00 H new ATOM 0 HG13 ILE A 15 112.161 4.825 -4.295 1.00 0.00 H new ATOM 0 HG21 ILE A 15 109.154 7.014 -4.847 1.00 0.00 H new ATOM 0 HG22 ILE A 15 110.104 8.391 -5.455 1.00 0.00 H new ATOM 0 HG23 ILE A 15 109.995 6.894 -6.411 1.00 0.00 H new ATOM 0 HD11 ILE A 15 110.039 3.739 -3.605 1.00 0.00 H new ATOM 0 HD12 ILE A 15 110.314 5.223 -2.663 1.00 0.00 H new ATOM 0 HD13 ILE A 15 109.143 5.224 -4.002 1.00 0.00 H new ATOM 225 N PHE A 16 114.459 5.791 -4.855 1.00 0.00 N ATOM 226 CA PHE A 16 115.677 5.472 -4.047 1.00 0.00 C ATOM 227 C PHE A 16 116.921 5.492 -4.938 1.00 0.00 C ATOM 228 O PHE A 16 116.893 5.078 -6.079 1.00 0.00 O ATOM 229 CB PHE A 16 115.530 4.084 -3.416 1.00 0.00 C ATOM 230 CG PHE A 16 114.515 4.138 -2.299 1.00 0.00 C ATOM 231 CD1 PHE A 16 114.807 4.825 -1.115 1.00 0.00 C ATOM 232 CD2 PHE A 16 113.276 3.506 -2.451 1.00 0.00 C ATOM 233 CE1 PHE A 16 113.862 4.873 -0.081 1.00 0.00 C ATOM 234 CE2 PHE A 16 112.333 3.558 -1.418 1.00 0.00 C ATOM 235 CZ PHE A 16 112.626 4.239 -0.234 1.00 0.00 C ATOM 0 H PHE A 16 114.216 5.099 -5.564 1.00 0.00 H new ATOM 0 HA PHE A 16 115.784 6.222 -3.263 1.00 0.00 H new ATOM 0 HB2 PHE A 16 115.217 3.362 -4.170 1.00 0.00 H new ATOM 0 HB3 PHE A 16 116.492 3.745 -3.031 1.00 0.00 H new ATOM 0 HD1 PHE A 16 115.761 5.318 -0.998 1.00 0.00 H new ATOM 0 HD2 PHE A 16 113.047 2.978 -3.365 1.00 0.00 H new ATOM 0 HE1 PHE A 16 114.089 5.400 0.834 1.00 0.00 H new ATOM 0 HE2 PHE A 16 111.377 3.070 -1.537 1.00 0.00 H new ATOM 0 HZ PHE A 16 111.898 4.276 0.563 1.00 0.00 H new ATOM 245 N SER A 17 118.009 5.994 -4.420 1.00 0.00 N ATOM 246 CA SER A 17 119.264 6.070 -5.224 1.00 0.00 C ATOM 247 C SER A 17 119.912 4.690 -5.356 1.00 0.00 C ATOM 248 O SER A 17 120.739 4.475 -6.220 1.00 0.00 O ATOM 249 CB SER A 17 120.248 7.018 -4.538 1.00 0.00 C ATOM 250 OG SER A 17 119.895 8.360 -4.838 1.00 0.00 O ATOM 0 H SER A 17 118.084 6.357 -3.470 1.00 0.00 H new ATOM 0 HA SER A 17 119.014 6.437 -6.219 1.00 0.00 H new ATOM 0 HB2 SER A 17 120.233 6.858 -3.460 1.00 0.00 H new ATOM 0 HB3 SER A 17 121.264 6.813 -4.876 1.00 0.00 H new ATOM 0 HG SER A 17 120.523 8.970 -4.398 1.00 0.00 H new ATOM 256 N LYS A 18 119.565 3.756 -4.507 1.00 0.00 N ATOM 257 CA LYS A 18 120.196 2.399 -4.596 1.00 0.00 C ATOM 258 C LYS A 18 119.124 1.307 -4.606 1.00 0.00 C ATOM 259 O LYS A 18 118.141 1.371 -3.897 1.00 0.00 O ATOM 260 CB LYS A 18 121.120 2.194 -3.396 1.00 0.00 C ATOM 261 CG LYS A 18 122.019 0.982 -3.648 1.00 0.00 C ATOM 262 CD LYS A 18 123.034 0.855 -2.511 1.00 0.00 C ATOM 263 CE LYS A 18 123.956 -0.336 -2.777 1.00 0.00 C ATOM 264 NZ LYS A 18 123.180 -1.601 -2.651 1.00 0.00 N ATOM 0 H LYS A 18 118.878 3.870 -3.761 1.00 0.00 H new ATOM 0 HA LYS A 18 120.767 2.336 -5.522 1.00 0.00 H new ATOM 0 HB2 LYS A 18 121.728 3.084 -3.235 1.00 0.00 H new ATOM 0 HB3 LYS A 18 120.531 2.042 -2.491 1.00 0.00 H new ATOM 0 HG2 LYS A 18 121.416 0.076 -3.715 1.00 0.00 H new ATOM 0 HG3 LYS A 18 122.536 1.091 -4.601 1.00 0.00 H new ATOM 0 HD2 LYS A 18 123.620 1.770 -2.429 1.00 0.00 H new ATOM 0 HD3 LYS A 18 122.516 0.722 -1.561 1.00 0.00 H new ATOM 0 HE2 LYS A 18 124.388 -0.260 -3.775 1.00 0.00 H new ATOM 0 HE3 LYS A 18 124.785 -0.333 -2.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 123.816 -2.371 -2.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 122.432 -1.480 -1.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 122.749 -1.837 -3.568 1.00 0.00 H new ATOM 278 N GLY A 19 119.316 0.294 -5.407 1.00 0.00 N ATOM 279 CA GLY A 19 118.318 -0.812 -5.466 1.00 0.00 C ATOM 280 C GLY A 19 119.000 -2.089 -5.964 1.00 0.00 C ATOM 281 O GLY A 19 120.092 -2.053 -6.492 1.00 0.00 O ATOM 0 H GLY A 19 120.121 0.185 -6.023 1.00 0.00 H new ATOM 0 HA2 GLY A 19 117.886 -0.979 -4.479 1.00 0.00 H new ATOM 0 HA3 GLY A 19 117.498 -0.541 -6.132 1.00 0.00 H new ATOM 285 N TYR A 20 118.362 -3.218 -5.792 1.00 0.00 N ATOM 286 CA TYR A 20 118.965 -4.508 -6.247 1.00 0.00 C ATOM 287 C TYR A 20 118.071 -5.150 -7.310 1.00 0.00 C ATOM 288 O TYR A 20 116.882 -4.907 -7.365 1.00 0.00 O ATOM 289 CB TYR A 20 119.087 -5.463 -5.058 1.00 0.00 C ATOM 290 CG TYR A 20 120.273 -5.076 -4.207 1.00 0.00 C ATOM 291 CD1 TYR A 20 120.204 -3.953 -3.374 1.00 0.00 C ATOM 292 CD2 TYR A 20 121.440 -5.847 -4.246 1.00 0.00 C ATOM 293 CE1 TYR A 20 121.303 -3.602 -2.582 1.00 0.00 C ATOM 294 CE2 TYR A 20 122.540 -5.495 -3.454 1.00 0.00 C ATOM 295 CZ TYR A 20 122.471 -4.372 -2.622 1.00 0.00 C ATOM 296 OH TYR A 20 123.554 -4.026 -1.839 1.00 0.00 O ATOM 0 H TYR A 20 117.445 -3.303 -5.354 1.00 0.00 H new ATOM 0 HA TYR A 20 119.951 -4.312 -6.667 1.00 0.00 H new ATOM 0 HB2 TYR A 20 118.175 -5.433 -4.461 1.00 0.00 H new ATOM 0 HB3 TYR A 20 119.202 -6.487 -5.413 1.00 0.00 H new ATOM 0 HD1 TYR A 20 119.303 -3.358 -3.343 1.00 0.00 H new ATOM 0 HD2 TYR A 20 121.492 -6.714 -4.887 1.00 0.00 H new ATOM 0 HE1 TYR A 20 121.250 -2.736 -1.939 1.00 0.00 H new ATOM 0 HE2 TYR A 20 123.441 -6.090 -3.485 1.00 0.00 H new ATOM 0 HH TYR A 20 124.282 -4.666 -1.986 1.00 0.00 H new ATOM 527 N ILE A 36 120.790 -10.238 2.348 1.00 0.00 N ATOM 528 CA ILE A 36 121.127 -9.037 1.536 1.00 0.00 C ATOM 529 C ILE A 36 121.207 -7.830 2.464 1.00 0.00 C ATOM 530 O ILE A 36 120.249 -7.488 3.123 1.00 0.00 O ATOM 531 CB ILE A 36 120.037 -8.800 0.487 1.00 0.00 C ATOM 532 CG1 ILE A 36 119.695 -10.125 -0.204 1.00 0.00 C ATOM 533 CG2 ILE A 36 120.539 -7.796 -0.554 1.00 0.00 C ATOM 534 CD1 ILE A 36 120.956 -10.732 -0.826 1.00 0.00 C ATOM 0 HA ILE A 36 122.081 -9.187 1.031 1.00 0.00 H new ATOM 0 HB ILE A 36 119.146 -8.404 0.973 1.00 0.00 H new ATOM 0 HG12 ILE A 36 119.264 -10.820 0.517 1.00 0.00 H new ATOM 0 HG13 ILE A 36 118.943 -9.959 -0.975 1.00 0.00 H new ATOM 0 HG21 ILE A 36 119.763 -7.627 -1.301 1.00 0.00 H new ATOM 0 HG22 ILE A 36 120.781 -6.853 -0.063 1.00 0.00 H new ATOM 0 HG23 ILE A 36 121.431 -8.191 -1.040 1.00 0.00 H new ATOM 0 HD11 ILE A 36 120.704 -11.673 -1.315 1.00 0.00 H new ATOM 0 HD12 ILE A 36 121.368 -10.041 -1.561 1.00 0.00 H new ATOM 0 HD13 ILE A 36 121.695 -10.915 -0.046 1.00 0.00 H new ATOM 546 N VAL A 37 122.342 -7.185 2.526 1.00 0.00 N ATOM 547 CA VAL A 37 122.477 -6.002 3.427 1.00 0.00 C ATOM 548 C VAL A 37 122.718 -4.739 2.604 1.00 0.00 C ATOM 549 O VAL A 37 123.652 -4.655 1.832 1.00 0.00 O ATOM 550 CB VAL A 37 123.662 -6.218 4.369 1.00 0.00 C ATOM 551 CG1 VAL A 37 123.975 -4.910 5.098 1.00 0.00 C ATOM 552 CG2 VAL A 37 123.309 -7.299 5.392 1.00 0.00 C ATOM 0 H VAL A 37 123.179 -7.425 1.994 1.00 0.00 H new ATOM 0 HA VAL A 37 121.558 -5.886 4.001 1.00 0.00 H new ATOM 0 HB VAL A 37 124.533 -6.533 3.794 1.00 0.00 H new ATOM 0 HG11 VAL A 37 124.820 -5.061 5.770 1.00 0.00 H new ATOM 0 HG12 VAL A 37 124.225 -4.138 4.370 1.00 0.00 H new ATOM 0 HG13 VAL A 37 123.104 -4.597 5.674 1.00 0.00 H new ATOM 0 HG21 VAL A 37 124.153 -7.454 6.064 1.00 0.00 H new ATOM 0 HG22 VAL A 37 122.439 -6.984 5.969 1.00 0.00 H new ATOM 0 HG23 VAL A 37 123.083 -8.231 4.873 1.00 0.00 H new ATOM 562 N CYS A 38 121.893 -3.744 2.784 1.00 0.00 N ATOM 563 CA CYS A 38 122.091 -2.475 2.033 1.00 0.00 C ATOM 564 C CYS A 38 122.719 -1.452 2.979 1.00 0.00 C ATOM 565 O CYS A 38 122.048 -0.873 3.810 1.00 0.00 O ATOM 566 CB CYS A 38 120.740 -1.944 1.549 1.00 0.00 C ATOM 567 SG CYS A 38 119.988 -3.126 0.400 1.00 0.00 S ATOM 0 H CYS A 38 121.093 -3.756 3.417 1.00 0.00 H new ATOM 0 HA CYS A 38 122.736 -2.649 1.172 1.00 0.00 H new ATOM 0 HB2 CYS A 38 120.078 -1.779 2.399 1.00 0.00 H new ATOM 0 HB3 CYS A 38 120.873 -0.980 1.057 1.00 0.00 H new ATOM 572 N THR A 39 123.999 -1.227 2.869 1.00 0.00 N ATOM 573 CA THR A 39 124.658 -0.250 3.775 1.00 0.00 C ATOM 574 C THR A 39 124.749 1.109 3.087 1.00 0.00 C ATOM 575 O THR A 39 125.346 1.248 2.037 1.00 0.00 O ATOM 576 CB THR A 39 126.067 -0.745 4.119 1.00 0.00 C ATOM 577 OG1 THR A 39 125.978 -1.978 4.819 1.00 0.00 O ATOM 578 CG2 THR A 39 126.776 0.291 4.993 1.00 0.00 C ATOM 0 H THR A 39 124.615 -1.677 2.192 1.00 0.00 H new ATOM 0 HA THR A 39 124.072 -0.152 4.689 1.00 0.00 H new ATOM 0 HB THR A 39 126.635 -0.890 3.200 1.00 0.00 H new ATOM 0 HG1 THR A 39 126.879 -2.296 5.038 1.00 0.00 H new ATOM 0 HG21 THR A 39 127.778 -0.063 5.237 1.00 0.00 H new ATOM 0 HG22 THR A 39 126.846 1.236 4.453 1.00 0.00 H new ATOM 0 HG23 THR A 39 126.210 0.440 5.913 1.00 0.00 H new ATOM 586 N VAL A 40 124.168 2.115 3.681 1.00 0.00 N ATOM 587 CA VAL A 40 124.229 3.476 3.072 1.00 0.00 C ATOM 588 C VAL A 40 124.411 4.516 4.180 1.00 0.00 C ATOM 589 O VAL A 40 124.025 4.303 5.312 1.00 0.00 O ATOM 590 CB VAL A 40 122.931 3.756 2.312 1.00 0.00 C ATOM 591 CG1 VAL A 40 122.825 2.811 1.113 1.00 0.00 C ATOM 592 CG2 VAL A 40 121.737 3.531 3.243 1.00 0.00 C ATOM 0 H VAL A 40 123.654 2.055 4.560 1.00 0.00 H new ATOM 0 HA VAL A 40 125.069 3.530 2.379 1.00 0.00 H new ATOM 0 HB VAL A 40 122.932 4.788 1.962 1.00 0.00 H new ATOM 0 HG11 VAL A 40 121.900 3.011 0.572 1.00 0.00 H new ATOM 0 HG12 VAL A 40 123.675 2.969 0.449 1.00 0.00 H new ATOM 0 HG13 VAL A 40 122.825 1.779 1.462 1.00 0.00 H new ATOM 0 HG21 VAL A 40 120.812 3.730 2.703 1.00 0.00 H new ATOM 0 HG22 VAL A 40 121.738 2.499 3.593 1.00 0.00 H new ATOM 0 HG23 VAL A 40 121.810 4.204 4.098 1.00 0.00 H new ATOM 602 N LYS A 41 124.989 5.643 3.868 1.00 0.00 N ATOM 603 CA LYS A 41 125.184 6.689 4.912 1.00 0.00 C ATOM 604 C LYS A 41 124.068 7.724 4.806 1.00 0.00 C ATOM 605 O LYS A 41 123.731 8.183 3.733 1.00 0.00 O ATOM 606 CB LYS A 41 126.538 7.371 4.707 1.00 0.00 C ATOM 607 CG LYS A 41 127.667 6.365 4.971 1.00 0.00 C ATOM 608 CD LYS A 41 128.014 5.629 3.674 1.00 0.00 C ATOM 609 CE LYS A 41 129.240 4.746 3.904 1.00 0.00 C ATOM 610 NZ LYS A 41 128.906 3.678 4.888 1.00 0.00 N ATOM 0 H LYS A 41 125.334 5.885 2.939 1.00 0.00 H new ATOM 0 HA LYS A 41 125.159 6.228 5.899 1.00 0.00 H new ATOM 0 HB2 LYS A 41 126.612 7.757 3.690 1.00 0.00 H new ATOM 0 HB3 LYS A 41 126.633 8.224 5.379 1.00 0.00 H new ATOM 0 HG2 LYS A 41 128.547 6.883 5.354 1.00 0.00 H new ATOM 0 HG3 LYS A 41 127.360 5.651 5.735 1.00 0.00 H new ATOM 0 HD2 LYS A 41 127.169 5.021 3.351 1.00 0.00 H new ATOM 0 HD3 LYS A 41 128.213 6.346 2.878 1.00 0.00 H new ATOM 0 HE2 LYS A 41 129.562 4.300 2.963 1.00 0.00 H new ATOM 0 HE3 LYS A 41 130.071 5.348 4.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 129.488 2.837 4.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 129.097 4.021 5.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 127.900 3.429 4.802 1.00 0.00 H new ATOM 624 N ALA A 42 123.485 8.092 5.914 1.00 0.00 N ATOM 625 CA ALA A 42 122.384 9.095 5.879 1.00 0.00 C ATOM 626 C ALA A 42 122.935 10.476 6.238 1.00 0.00 C ATOM 627 O ALA A 42 123.991 10.599 6.825 1.00 0.00 O ATOM 628 CB ALA A 42 121.307 8.698 6.885 1.00 0.00 C ATOM 0 H ALA A 42 123.724 7.741 6.842 1.00 0.00 H new ATOM 0 HA ALA A 42 121.954 9.128 4.878 1.00 0.00 H new ATOM 0 HB1 ALA A 42 120.500 9.430 6.862 1.00 0.00 H new ATOM 0 HB2 ALA A 42 120.913 7.715 6.627 1.00 0.00 H new ATOM 0 HB3 ALA A 42 121.738 8.665 7.886 1.00 0.00 H new ATOM 634 N HIS A 43 122.227 11.517 5.888 1.00 0.00 N ATOM 635 CA HIS A 43 122.713 12.892 6.206 1.00 0.00 C ATOM 636 C HIS A 43 121.556 13.727 6.761 1.00 0.00 C ATOM 637 O HIS A 43 120.403 13.497 6.454 1.00 0.00 O ATOM 638 CB HIS A 43 123.253 13.550 4.934 1.00 0.00 C ATOM 639 CG HIS A 43 124.164 14.687 5.304 1.00 0.00 C ATOM 640 ND1 HIS A 43 125.436 14.477 5.817 1.00 0.00 N ATOM 641 CD2 HIS A 43 124.003 16.049 5.242 1.00 0.00 C ATOM 642 CE1 HIS A 43 125.987 15.685 6.040 1.00 0.00 C ATOM 643 NE2 HIS A 43 125.155 16.673 5.707 1.00 0.00 N ATOM 0 H HIS A 43 121.334 11.475 5.396 1.00 0.00 H new ATOM 0 HA HIS A 43 123.508 12.833 6.950 1.00 0.00 H new ATOM 0 HB2 HIS A 43 123.794 12.817 4.335 1.00 0.00 H new ATOM 0 HB3 HIS A 43 122.428 13.916 4.323 1.00 0.00 H new ATOM 0 HD2 HIS A 43 123.118 16.557 4.887 1.00 0.00 H new ATOM 0 HE1 HIS A 43 126.979 15.835 6.439 1.00 0.00 H new ATOM 0 HE2 HIS A 43 125.328 17.676 5.779 1.00 0.00 H new ATOM 652 N ALA A 44 121.857 14.693 7.584 1.00 0.00 N ATOM 653 CA ALA A 44 120.782 15.543 8.175 1.00 0.00 C ATOM 654 C ALA A 44 119.882 16.085 7.059 1.00 0.00 C ATOM 655 O ALA A 44 118.735 16.417 7.283 1.00 0.00 O ATOM 656 CB ALA A 44 121.426 16.713 8.936 1.00 0.00 C ATOM 0 H ALA A 44 122.805 14.932 7.875 1.00 0.00 H new ATOM 0 HA ALA A 44 120.180 14.948 8.861 1.00 0.00 H new ATOM 0 HB1 ALA A 44 120.646 17.338 9.370 1.00 0.00 H new ATOM 0 HB2 ALA A 44 122.063 16.324 9.730 1.00 0.00 H new ATOM 0 HB3 ALA A 44 122.026 17.308 8.248 1.00 0.00 H new ATOM 662 N ASN A 45 120.397 16.194 5.869 1.00 0.00 N ATOM 663 CA ASN A 45 119.575 16.724 4.746 1.00 0.00 C ATOM 664 C ASN A 45 119.084 15.569 3.873 1.00 0.00 C ATOM 665 O ASN A 45 118.067 15.662 3.216 1.00 0.00 O ATOM 666 CB ASN A 45 120.423 17.675 3.900 1.00 0.00 C ATOM 667 CG ASN A 45 119.530 18.402 2.892 1.00 0.00 C ATOM 668 OD1 ASN A 45 118.351 18.577 3.123 1.00 0.00 O ATOM 669 ND2 ASN A 45 120.049 18.840 1.777 1.00 0.00 N ATOM 0 H ASN A 45 121.354 15.939 5.624 1.00 0.00 H new ATOM 0 HA ASN A 45 118.716 17.259 5.151 1.00 0.00 H new ATOM 0 HB2 ASN A 45 120.927 18.398 4.542 1.00 0.00 H new ATOM 0 HB3 ASN A 45 121.200 17.118 3.377 1.00 0.00 H new ATOM 0 HD21 ASN A 45 119.464 19.329 1.100 1.00 0.00 H new ATOM 0 HD22 ASN A 45 121.040 18.693 1.583 1.00 0.00 H new ATOM 676 N ASP A 46 119.810 14.486 3.848 1.00 0.00 N ATOM 677 CA ASP A 46 119.401 13.331 3.001 1.00 0.00 C ATOM 678 C ASP A 46 118.203 12.619 3.631 1.00 0.00 C ATOM 679 O ASP A 46 118.181 12.350 4.814 1.00 0.00 O ATOM 680 CB ASP A 46 120.567 12.348 2.896 1.00 0.00 C ATOM 681 CG ASP A 46 121.599 12.877 1.895 1.00 0.00 C ATOM 682 OD1 ASP A 46 121.259 13.772 1.140 1.00 0.00 O ATOM 683 OD2 ASP A 46 122.713 12.378 1.905 1.00 0.00 O ATOM 0 H ASP A 46 120.671 14.351 4.379 1.00 0.00 H new ATOM 0 HA ASP A 46 119.125 13.693 2.011 1.00 0.00 H new ATOM 0 HB2 ASP A 46 121.030 12.212 3.873 1.00 0.00 H new ATOM 0 HB3 ASP A 46 120.204 11.371 2.577 1.00 0.00 H new ATOM 688 N LEU A 47 117.209 12.298 2.845 1.00 0.00 N ATOM 689 CA LEU A 47 116.022 11.588 3.400 1.00 0.00 C ATOM 690 C LEU A 47 116.363 10.105 3.537 1.00 0.00 C ATOM 691 O LEU A 47 117.130 9.574 2.758 1.00 0.00 O ATOM 692 CB LEU A 47 114.834 11.745 2.450 1.00 0.00 C ATOM 693 CG LEU A 47 114.455 13.221 2.327 1.00 0.00 C ATOM 694 CD1 LEU A 47 113.340 13.373 1.290 1.00 0.00 C ATOM 695 CD2 LEU A 47 113.970 13.743 3.683 1.00 0.00 C ATOM 0 H LEU A 47 117.169 12.497 1.845 1.00 0.00 H new ATOM 0 HA LEU A 47 115.761 12.009 4.371 1.00 0.00 H new ATOM 0 HB2 LEU A 47 115.087 11.343 1.469 1.00 0.00 H new ATOM 0 HB3 LEU A 47 113.984 11.172 2.820 1.00 0.00 H new ATOM 0 HG LEU A 47 115.326 13.795 2.012 1.00 0.00 H new ATOM 0 HD11 LEU A 47 113.068 14.425 1.200 1.00 0.00 H new ATOM 0 HD12 LEU A 47 113.688 13.005 0.325 1.00 0.00 H new ATOM 0 HD13 LEU A 47 112.469 12.798 1.605 1.00 0.00 H new ATOM 0 HD21 LEU A 47 113.701 14.795 3.593 1.00 0.00 H new ATOM 0 HD22 LEU A 47 113.099 13.171 4.002 1.00 0.00 H new ATOM 0 HD23 LEU A 47 114.765 13.634 4.420 1.00 0.00 H new ATOM 707 N ILE A 48 115.807 9.428 4.511 1.00 0.00 N ATOM 708 CA ILE A 48 116.115 7.976 4.678 1.00 0.00 C ATOM 709 C ILE A 48 114.827 7.152 4.571 1.00 0.00 C ATOM 710 O ILE A 48 113.778 7.544 5.045 1.00 0.00 O ATOM 711 CB ILE A 48 116.744 7.745 6.054 1.00 0.00 C ATOM 712 CG1 ILE A 48 115.900 8.437 7.130 1.00 0.00 C ATOM 713 CG2 ILE A 48 118.158 8.327 6.071 1.00 0.00 C ATOM 714 CD1 ILE A 48 116.199 7.813 8.493 1.00 0.00 C ATOM 0 H ILE A 48 115.157 9.816 5.194 1.00 0.00 H new ATOM 0 HA ILE A 48 116.808 7.667 3.896 1.00 0.00 H new ATOM 0 HB ILE A 48 116.784 6.675 6.256 1.00 0.00 H new ATOM 0 HG12 ILE A 48 116.121 9.504 7.150 1.00 0.00 H new ATOM 0 HG13 ILE A 48 114.840 8.336 6.897 1.00 0.00 H new ATOM 0 HG21 ILE A 48 118.607 8.163 7.051 1.00 0.00 H new ATOM 0 HG22 ILE A 48 118.763 7.837 5.308 1.00 0.00 H new ATOM 0 HG23 ILE A 48 118.114 9.397 5.867 1.00 0.00 H new ATOM 0 HD11 ILE A 48 115.599 8.305 9.258 1.00 0.00 H new ATOM 0 HD12 ILE A 48 115.955 6.751 8.468 1.00 0.00 H new ATOM 0 HD13 ILE A 48 117.257 7.937 8.726 1.00 0.00 H new ATOM 726 N GLY A 49 114.910 6.012 3.947 1.00 0.00 N ATOM 727 CA GLY A 49 113.696 5.150 3.801 1.00 0.00 C ATOM 728 C GLY A 49 114.046 3.917 2.968 1.00 0.00 C ATOM 729 O GLY A 49 115.190 3.689 2.639 1.00 0.00 O ATOM 0 H GLY A 49 115.762 5.636 3.531 1.00 0.00 H new ATOM 0 HA2 GLY A 49 113.331 4.848 4.783 1.00 0.00 H new ATOM 0 HA3 GLY A 49 112.894 5.711 3.321 1.00 0.00 H new ATOM 733 N PHE A 50 113.074 3.115 2.623 1.00 0.00 N ATOM 734 CA PHE A 50 113.369 1.902 1.805 1.00 0.00 C ATOM 735 C PHE A 50 112.061 1.247 1.360 1.00 0.00 C ATOM 736 O PHE A 50 110.989 1.640 1.774 1.00 0.00 O ATOM 737 CB PHE A 50 114.186 0.906 2.630 1.00 0.00 C ATOM 738 CG PHE A 50 113.347 0.376 3.766 1.00 0.00 C ATOM 739 CD1 PHE A 50 113.346 1.033 5.002 1.00 0.00 C ATOM 740 CD2 PHE A 50 112.573 -0.776 3.585 1.00 0.00 C ATOM 741 CE1 PHE A 50 112.569 0.540 6.057 1.00 0.00 C ATOM 742 CE2 PHE A 50 111.797 -1.271 4.640 1.00 0.00 C ATOM 743 CZ PHE A 50 111.795 -0.614 5.876 1.00 0.00 C ATOM 0 H PHE A 50 112.093 3.246 2.871 1.00 0.00 H new ATOM 0 HA PHE A 50 113.942 2.196 0.926 1.00 0.00 H new ATOM 0 HB2 PHE A 50 114.520 0.083 1.998 1.00 0.00 H new ATOM 0 HB3 PHE A 50 115.080 1.391 3.021 1.00 0.00 H new ATOM 0 HD1 PHE A 50 113.945 1.921 5.142 1.00 0.00 H new ATOM 0 HD2 PHE A 50 112.574 -1.283 2.631 1.00 0.00 H new ATOM 0 HE1 PHE A 50 112.566 1.049 7.010 1.00 0.00 H new ATOM 0 HE2 PHE A 50 111.200 -2.160 4.500 1.00 0.00 H new ATOM 0 HZ PHE A 50 111.197 -0.996 6.690 1.00 0.00 H new ATOM 753 N LYS A 51 112.140 0.250 0.518 1.00 0.00 N ATOM 754 CA LYS A 51 110.899 -0.430 0.046 1.00 0.00 C ATOM 755 C LYS A 51 111.172 -1.915 -0.173 1.00 0.00 C ATOM 756 O LYS A 51 112.240 -2.301 -0.607 1.00 0.00 O ATOM 757 CB LYS A 51 110.445 0.205 -1.268 1.00 0.00 C ATOM 758 CG LYS A 51 109.218 -0.535 -1.813 1.00 0.00 C ATOM 759 CD LYS A 51 108.796 0.081 -3.148 1.00 0.00 C ATOM 760 CE LYS A 51 108.034 1.385 -2.900 1.00 0.00 C ATOM 761 NZ LYS A 51 107.441 1.862 -4.179 1.00 0.00 N ATOM 0 H LYS A 51 113.010 -0.122 0.137 1.00 0.00 H new ATOM 0 HA LYS A 51 110.118 -0.318 0.798 1.00 0.00 H new ATOM 0 HB2 LYS A 51 110.205 1.256 -1.109 1.00 0.00 H new ATOM 0 HB3 LYS A 51 111.255 0.170 -1.997 1.00 0.00 H new ATOM 0 HG2 LYS A 51 109.448 -1.592 -1.946 1.00 0.00 H new ATOM 0 HG3 LYS A 51 108.398 -0.475 -1.098 1.00 0.00 H new ATOM 0 HD2 LYS A 51 109.675 0.274 -3.764 1.00 0.00 H new ATOM 0 HD3 LYS A 51 108.168 -0.619 -3.699 1.00 0.00 H new ATOM 0 HE2 LYS A 51 107.250 1.226 -2.160 1.00 0.00 H new ATOM 0 HE3 LYS A 51 108.707 2.141 -2.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 106.923 2.748 -4.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 108.198 2.029 -4.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 106.787 1.143 -4.548 1.00 0.00 H new ATOM 775 N CYS A 52 110.205 -2.751 0.106 1.00 0.00 N ATOM 776 CA CYS A 52 110.374 -4.216 -0.100 1.00 0.00 C ATOM 777 C CYS A 52 109.252 -4.698 -1.027 1.00 0.00 C ATOM 778 O CYS A 52 108.187 -4.114 -1.064 1.00 0.00 O ATOM 779 CB CYS A 52 110.265 -4.929 1.254 1.00 0.00 C ATOM 780 SG CYS A 52 111.730 -4.569 2.255 1.00 0.00 S ATOM 0 H CYS A 52 109.294 -2.474 0.473 1.00 0.00 H new ATOM 0 HA CYS A 52 111.346 -4.433 -0.542 1.00 0.00 H new ATOM 0 HB2 CYS A 52 109.366 -4.601 1.777 1.00 0.00 H new ATOM 0 HB3 CYS A 52 110.172 -6.004 1.103 1.00 0.00 H new ATOM 785 N PRO A 53 109.474 -5.751 -1.773 1.00 0.00 N ATOM 786 CA PRO A 53 108.446 -6.298 -2.705 1.00 0.00 C ATOM 787 C PRO A 53 107.100 -6.529 -2.005 1.00 0.00 C ATOM 788 O PRO A 53 107.039 -6.818 -0.828 1.00 0.00 O ATOM 789 CB PRO A 53 109.047 -7.628 -3.199 1.00 0.00 C ATOM 790 CG PRO A 53 110.241 -7.887 -2.333 1.00 0.00 C ATOM 791 CD PRO A 53 110.712 -6.534 -1.825 1.00 0.00 C ATOM 0 HA PRO A 53 108.230 -5.606 -3.519 1.00 0.00 H new ATOM 0 HB2 PRO A 53 108.322 -8.438 -3.117 1.00 0.00 H new ATOM 0 HB3 PRO A 53 109.333 -7.561 -4.249 1.00 0.00 H new ATOM 0 HG2 PRO A 53 109.982 -8.544 -1.503 1.00 0.00 H new ATOM 0 HG3 PRO A 53 111.029 -8.384 -2.899 1.00 0.00 H new ATOM 0 HD2 PRO A 53 111.181 -6.612 -0.844 1.00 0.00 H new ATOM 0 HD3 PRO A 53 111.446 -6.085 -2.494 1.00 0.00 H new ATOM 799 N SER A 54 106.023 -6.382 -2.726 1.00 0.00 N ATOM 800 CA SER A 54 104.674 -6.570 -2.116 1.00 0.00 C ATOM 801 C SER A 54 104.417 -8.051 -1.819 1.00 0.00 C ATOM 802 O SER A 54 103.481 -8.395 -1.125 1.00 0.00 O ATOM 803 CB SER A 54 103.609 -6.056 -3.084 1.00 0.00 C ATOM 804 OG SER A 54 103.573 -4.635 -3.032 1.00 0.00 O ATOM 0 H SER A 54 106.018 -6.139 -3.717 1.00 0.00 H new ATOM 0 HA SER A 54 104.631 -6.013 -1.180 1.00 0.00 H new ATOM 0 HB2 SER A 54 103.832 -6.389 -4.098 1.00 0.00 H new ATOM 0 HB3 SER A 54 102.634 -6.466 -2.821 1.00 0.00 H new ATOM 0 HG SER A 54 102.892 -4.302 -3.653 1.00 0.00 H new ATOM 810 N ASN A 55 105.224 -8.931 -2.343 1.00 0.00 N ATOM 811 CA ASN A 55 104.998 -10.384 -2.087 1.00 0.00 C ATOM 812 C ASN A 55 105.793 -10.832 -0.858 1.00 0.00 C ATOM 813 O ASN A 55 105.777 -11.988 -0.493 1.00 0.00 O ATOM 814 CB ASN A 55 105.460 -11.189 -3.304 1.00 0.00 C ATOM 815 CG ASN A 55 104.615 -10.810 -4.520 1.00 0.00 C ATOM 816 OD1 ASN A 55 103.403 -10.885 -4.480 1.00 0.00 O ATOM 817 ND2 ASN A 55 105.207 -10.398 -5.607 1.00 0.00 N ATOM 0 H ASN A 55 106.026 -8.711 -2.934 1.00 0.00 H new ATOM 0 HA ASN A 55 103.936 -10.553 -1.908 1.00 0.00 H new ATOM 0 HB2 ASN A 55 106.513 -10.992 -3.505 1.00 0.00 H new ATOM 0 HB3 ASN A 55 105.368 -12.256 -3.103 1.00 0.00 H new ATOM 0 HD21 ASN A 55 104.652 -10.139 -6.423 1.00 0.00 H new ATOM 0 HD22 ASN A 55 106.224 -10.335 -5.641 1.00 0.00 H new ATOM 824 N TYR A 56 106.485 -9.929 -0.218 1.00 0.00 N ATOM 825 CA TYR A 56 107.282 -10.300 0.994 1.00 0.00 C ATOM 826 C TYR A 56 106.649 -9.702 2.250 1.00 0.00 C ATOM 827 O TYR A 56 105.814 -8.822 2.176 1.00 0.00 O ATOM 828 CB TYR A 56 108.711 -9.788 0.831 1.00 0.00 C ATOM 829 CG TYR A 56 109.490 -10.752 -0.035 1.00 0.00 C ATOM 830 CD1 TYR A 56 109.177 -10.893 -1.393 1.00 0.00 C ATOM 831 CD2 TYR A 56 110.538 -11.497 0.519 1.00 0.00 C ATOM 832 CE1 TYR A 56 109.908 -11.777 -2.193 1.00 0.00 C ATOM 833 CE2 TYR A 56 111.269 -12.383 -0.280 1.00 0.00 C ATOM 834 CZ TYR A 56 110.954 -12.523 -1.637 1.00 0.00 C ATOM 835 OH TYR A 56 111.675 -13.394 -2.426 1.00 0.00 O ATOM 0 H TYR A 56 106.535 -8.945 -0.481 1.00 0.00 H new ATOM 0 HA TYR A 56 107.294 -11.385 1.099 1.00 0.00 H new ATOM 0 HB2 TYR A 56 108.705 -8.797 0.378 1.00 0.00 H new ATOM 0 HB3 TYR A 56 109.188 -9.690 1.806 1.00 0.00 H new ATOM 0 HD1 TYR A 56 108.370 -10.318 -1.823 1.00 0.00 H new ATOM 0 HD2 TYR A 56 110.783 -11.388 1.565 1.00 0.00 H new ATOM 0 HE1 TYR A 56 109.666 -11.884 -3.240 1.00 0.00 H new ATOM 0 HE2 TYR A 56 112.076 -12.958 0.150 1.00 0.00 H new ATOM 0 HH TYR A 56 112.365 -13.831 -1.885 1.00 0.00 H new ATOM 845 N SER A 57 107.045 -10.169 3.409 1.00 0.00 N ATOM 846 CA SER A 57 106.470 -9.622 4.672 1.00 0.00 C ATOM 847 C SER A 57 107.483 -8.669 5.309 1.00 0.00 C ATOM 848 O SER A 57 108.671 -8.925 5.309 1.00 0.00 O ATOM 849 CB SER A 57 106.174 -10.771 5.634 1.00 0.00 C ATOM 850 OG SER A 57 105.695 -10.242 6.863 1.00 0.00 O ATOM 0 H SER A 57 107.741 -10.904 3.532 1.00 0.00 H new ATOM 0 HA SER A 57 105.546 -9.085 4.456 1.00 0.00 H new ATOM 0 HB2 SER A 57 105.433 -11.442 5.200 1.00 0.00 H new ATOM 0 HB3 SER A 57 107.076 -11.359 5.805 1.00 0.00 H new ATOM 0 HG SER A 57 105.502 -10.977 7.482 1.00 0.00 H new ATOM 856 N VAL A 58 107.032 -7.565 5.846 1.00 0.00 N ATOM 857 CA VAL A 58 107.987 -6.603 6.466 1.00 0.00 C ATOM 858 C VAL A 58 108.034 -6.808 7.983 1.00 0.00 C ATOM 859 O VAL A 58 107.029 -6.767 8.666 1.00 0.00 O ATOM 860 CB VAL A 58 107.548 -5.167 6.151 1.00 0.00 C ATOM 861 CG1 VAL A 58 107.116 -5.075 4.687 1.00 0.00 C ATOM 862 CG2 VAL A 58 106.377 -4.770 7.054 1.00 0.00 C ATOM 0 H VAL A 58 106.050 -7.290 5.881 1.00 0.00 H new ATOM 0 HA VAL A 58 108.982 -6.777 6.056 1.00 0.00 H new ATOM 0 HB VAL A 58 108.384 -4.490 6.329 1.00 0.00 H new ATOM 0 HG11 VAL A 58 106.804 -4.055 4.463 1.00 0.00 H new ATOM 0 HG12 VAL A 58 107.952 -5.348 4.043 1.00 0.00 H new ATOM 0 HG13 VAL A 58 106.284 -5.756 4.510 1.00 0.00 H new ATOM 0 HG21 VAL A 58 106.071 -3.749 6.825 1.00 0.00 H new ATOM 0 HG22 VAL A 58 105.540 -5.447 6.883 1.00 0.00 H new ATOM 0 HG23 VAL A 58 106.686 -4.831 8.098 1.00 0.00 H new ATOM 872 N GLU A 59 109.210 -7.009 8.509 1.00 0.00 N ATOM 873 CA GLU A 59 109.368 -7.199 9.978 1.00 0.00 C ATOM 874 C GLU A 59 110.511 -6.294 10.453 1.00 0.00 C ATOM 875 O GLU A 59 111.580 -6.303 9.876 1.00 0.00 O ATOM 876 CB GLU A 59 109.726 -8.656 10.282 1.00 0.00 C ATOM 877 CG GLU A 59 108.458 -9.513 10.290 1.00 0.00 C ATOM 878 CD GLU A 59 108.812 -10.955 9.917 1.00 0.00 C ATOM 879 OE1 GLU A 59 109.480 -11.139 8.913 1.00 0.00 O ATOM 880 OE2 GLU A 59 108.412 -11.850 10.643 1.00 0.00 O ATOM 0 H GLU A 59 110.079 -7.050 7.977 1.00 0.00 H new ATOM 0 HA GLU A 59 108.437 -6.950 10.487 1.00 0.00 H new ATOM 0 HB2 GLU A 59 110.425 -9.032 9.534 1.00 0.00 H new ATOM 0 HB3 GLU A 59 110.227 -8.723 11.248 1.00 0.00 H new ATOM 0 HG2 GLU A 59 107.994 -9.485 11.276 1.00 0.00 H new ATOM 0 HG3 GLU A 59 107.731 -9.112 9.584 1.00 0.00 H new ATOM 887 N PRO A 60 110.311 -5.511 11.482 1.00 0.00 N ATOM 888 CA PRO A 60 111.372 -4.601 11.988 1.00 0.00 C ATOM 889 C PRO A 60 112.413 -5.342 12.827 1.00 0.00 C ATOM 890 O PRO A 60 112.131 -5.809 13.907 1.00 0.00 O ATOM 891 CB PRO A 60 110.597 -3.615 12.862 1.00 0.00 C ATOM 892 CG PRO A 60 109.420 -4.383 13.362 1.00 0.00 C ATOM 893 CD PRO A 60 109.073 -5.394 12.271 1.00 0.00 C ATOM 0 HA PRO A 60 111.932 -4.132 11.179 1.00 0.00 H new ATOM 0 HB2 PRO A 60 111.211 -3.252 13.687 1.00 0.00 H new ATOM 0 HB3 PRO A 60 110.284 -2.742 12.289 1.00 0.00 H new ATOM 0 HG2 PRO A 60 109.655 -4.888 14.299 1.00 0.00 H new ATOM 0 HG3 PRO A 60 108.578 -3.719 13.559 1.00 0.00 H new ATOM 0 HD2 PRO A 60 108.779 -6.354 12.696 1.00 0.00 H new ATOM 0 HD3 PRO A 60 108.241 -5.049 11.658 1.00 0.00 H new ATOM 901 N HIS A 61 113.621 -5.428 12.348 1.00 0.00 N ATOM 902 CA HIS A 61 114.683 -6.116 13.133 1.00 0.00 C ATOM 903 C HIS A 61 115.397 -5.068 13.984 1.00 0.00 C ATOM 904 O HIS A 61 115.918 -5.351 15.043 1.00 0.00 O ATOM 905 CB HIS A 61 115.675 -6.788 12.186 1.00 0.00 C ATOM 906 CG HIS A 61 116.439 -7.847 12.932 1.00 0.00 C ATOM 907 ND1 HIS A 61 117.077 -7.587 14.137 1.00 0.00 N ATOM 908 CD2 HIS A 61 116.679 -9.172 12.658 1.00 0.00 C ATOM 909 CE1 HIS A 61 117.663 -8.730 14.541 1.00 0.00 C ATOM 910 NE2 HIS A 61 117.450 -9.722 13.676 1.00 0.00 N ATOM 0 H HIS A 61 113.919 -5.052 11.448 1.00 0.00 H new ATOM 0 HA HIS A 61 114.246 -6.883 13.772 1.00 0.00 H new ATOM 0 HB2 HIS A 61 115.146 -7.232 11.343 1.00 0.00 H new ATOM 0 HB3 HIS A 61 116.363 -6.048 11.777 1.00 0.00 H new ATOM 0 HD1 HIS A 61 117.098 -6.693 14.627 1.00 0.00 H new ATOM 0 HD2 HIS A 61 116.324 -9.703 11.787 1.00 0.00 H new ATOM 0 HE1 HIS A 61 118.234 -8.831 15.452 1.00 0.00 H new ATOM 919 N ASP A 62 115.410 -3.852 13.519 1.00 0.00 N ATOM 920 CA ASP A 62 116.069 -2.752 14.275 1.00 0.00 C ATOM 921 C ASP A 62 115.638 -1.420 13.657 1.00 0.00 C ATOM 922 O ASP A 62 116.418 -0.500 13.531 1.00 0.00 O ATOM 923 CB ASP A 62 117.589 -2.900 14.188 1.00 0.00 C ATOM 924 CG ASP A 62 118.258 -1.800 15.016 1.00 0.00 C ATOM 925 OD1 ASP A 62 117.558 -1.150 15.775 1.00 0.00 O ATOM 926 OD2 ASP A 62 119.457 -1.630 14.880 1.00 0.00 O ATOM 0 H ASP A 62 114.986 -3.569 12.635 1.00 0.00 H new ATOM 0 HA ASP A 62 115.777 -2.790 15.325 1.00 0.00 H new ATOM 0 HB2 ASP A 62 117.891 -3.881 14.555 1.00 0.00 H new ATOM 0 HB3 ASP A 62 117.912 -2.835 13.149 1.00 0.00 H new ATOM 931 N CYS A 63 114.394 -1.323 13.259 1.00 0.00 N ATOM 932 CA CYS A 63 113.895 -0.064 12.631 1.00 0.00 C ATOM 933 C CYS A 63 113.982 1.085 13.636 1.00 0.00 C ATOM 934 O CYS A 63 114.763 1.039 14.566 1.00 0.00 O ATOM 935 CB CYS A 63 112.447 -0.259 12.169 1.00 0.00 C ATOM 936 SG CYS A 63 112.401 -1.527 10.877 1.00 0.00 S ATOM 0 H CYS A 63 113.700 -2.066 13.343 1.00 0.00 H new ATOM 0 HA CYS A 63 114.512 0.180 11.766 1.00 0.00 H new ATOM 0 HB2 CYS A 63 111.821 -0.557 13.010 1.00 0.00 H new ATOM 0 HB3 CYS A 63 112.044 0.680 11.789 1.00 0.00 H new ATOM 941 N PHE A 64 113.209 2.130 13.447 1.00 0.00 N ATOM 942 CA PHE A 64 113.282 3.288 14.388 1.00 0.00 C ATOM 943 C PHE A 64 112.004 3.414 15.231 1.00 0.00 C ATOM 944 O PHE A 64 112.073 3.567 16.435 1.00 0.00 O ATOM 945 CB PHE A 64 113.504 4.577 13.596 1.00 0.00 C ATOM 946 CG PHE A 64 112.679 4.557 12.332 1.00 0.00 C ATOM 947 CD1 PHE A 64 113.128 3.842 11.214 1.00 0.00 C ATOM 948 CD2 PHE A 64 111.468 5.255 12.276 1.00 0.00 C ATOM 949 CE1 PHE A 64 112.365 3.826 10.041 1.00 0.00 C ATOM 950 CE2 PHE A 64 110.706 5.240 11.102 1.00 0.00 C ATOM 951 CZ PHE A 64 111.153 4.525 9.986 1.00 0.00 C ATOM 0 H PHE A 64 112.536 2.228 12.687 1.00 0.00 H new ATOM 0 HA PHE A 64 114.117 3.118 15.068 1.00 0.00 H new ATOM 0 HB2 PHE A 64 113.230 5.439 14.205 1.00 0.00 H new ATOM 0 HB3 PHE A 64 114.560 4.684 13.349 1.00 0.00 H new ATOM 0 HD1 PHE A 64 114.063 3.303 11.257 1.00 0.00 H new ATOM 0 HD2 PHE A 64 111.121 5.805 13.138 1.00 0.00 H new ATOM 0 HE1 PHE A 64 112.711 3.275 9.179 1.00 0.00 H new ATOM 0 HE2 PHE A 64 109.772 5.781 11.058 1.00 0.00 H new ATOM 0 HZ PHE A 64 110.563 4.512 9.081 1.00 0.00 H new ATOM 961 N VAL A 65 110.838 3.378 14.634 1.00 0.00 N ATOM 962 CA VAL A 65 109.599 3.528 15.456 1.00 0.00 C ATOM 963 C VAL A 65 109.549 2.414 16.502 1.00 0.00 C ATOM 964 O VAL A 65 109.337 2.657 17.673 1.00 0.00 O ATOM 965 CB VAL A 65 108.360 3.429 14.557 1.00 0.00 C ATOM 966 CG1 VAL A 65 107.106 3.311 15.427 1.00 0.00 C ATOM 967 CG2 VAL A 65 108.251 4.684 13.687 1.00 0.00 C ATOM 0 H VAL A 65 110.692 3.254 13.632 1.00 0.00 H new ATOM 0 HA VAL A 65 109.611 4.501 15.948 1.00 0.00 H new ATOM 0 HB VAL A 65 108.450 2.550 13.919 1.00 0.00 H new ATOM 0 HG11 VAL A 65 106.225 3.241 14.788 1.00 0.00 H new ATOM 0 HG12 VAL A 65 107.176 2.418 16.048 1.00 0.00 H new ATOM 0 HG13 VAL A 65 107.022 4.191 16.065 1.00 0.00 H new ATOM 0 HG21 VAL A 65 107.370 4.610 13.050 1.00 0.00 H new ATOM 0 HG22 VAL A 65 108.164 5.563 14.326 1.00 0.00 H new ATOM 0 HG23 VAL A 65 109.142 4.774 13.065 1.00 0.00 H new ATOM 977 N SER A 66 109.764 1.200 16.089 1.00 0.00 N ATOM 978 CA SER A 66 109.754 0.065 17.053 1.00 0.00 C ATOM 979 C SER A 66 110.551 -1.086 16.444 1.00 0.00 C ATOM 980 O SER A 66 110.317 -1.473 15.316 1.00 0.00 O ATOM 981 CB SER A 66 108.316 -0.383 17.312 1.00 0.00 C ATOM 982 OG SER A 66 108.311 -1.393 18.312 1.00 0.00 O ATOM 0 H SER A 66 109.948 0.941 15.120 1.00 0.00 H new ATOM 0 HA SER A 66 110.199 0.372 17.999 1.00 0.00 H new ATOM 0 HB2 SER A 66 107.711 0.465 17.633 1.00 0.00 H new ATOM 0 HB3 SER A 66 107.870 -0.763 16.393 1.00 0.00 H new ATOM 0 HG SER A 66 107.390 -1.681 18.481 1.00 0.00 H new ATOM 988 N ALA A 67 111.493 -1.634 17.163 1.00 0.00 N ATOM 989 CA ALA A 67 112.297 -2.749 16.587 1.00 0.00 C ATOM 990 C ALA A 67 113.229 -3.340 17.646 1.00 0.00 C ATOM 991 O ALA A 67 113.241 -2.927 18.787 1.00 0.00 O ATOM 992 CB ALA A 67 113.137 -2.207 15.433 1.00 0.00 C ATOM 0 H ALA A 67 111.739 -1.361 18.115 1.00 0.00 H new ATOM 0 HA ALA A 67 111.622 -3.529 16.235 1.00 0.00 H new ATOM 0 HB1 ALA A 67 113.730 -3.015 15.004 1.00 0.00 H new ATOM 0 HB2 ALA A 67 112.480 -1.793 14.668 1.00 0.00 H new ATOM 0 HB3 ALA A 67 113.802 -1.426 15.802 1.00 0.00 H new ATOM 998 N PHE A 68 114.006 -4.314 17.262 1.00 0.00 N ATOM 999 CA PHE A 68 114.943 -4.955 18.230 1.00 0.00 C ATOM 1000 C PHE A 68 116.301 -4.252 18.131 1.00 0.00 C ATOM 1001 O PHE A 68 116.875 -4.144 17.068 1.00 0.00 O ATOM 1002 CB PHE A 68 115.115 -6.437 17.882 1.00 0.00 C ATOM 1003 CG PHE A 68 113.760 -7.078 17.677 1.00 0.00 C ATOM 1004 CD1 PHE A 68 113.033 -6.818 16.508 1.00 0.00 C ATOM 1005 CD2 PHE A 68 113.237 -7.944 18.646 1.00 0.00 C ATOM 1006 CE1 PHE A 68 111.785 -7.421 16.311 1.00 0.00 C ATOM 1007 CE2 PHE A 68 111.986 -8.545 18.445 1.00 0.00 C ATOM 1008 CZ PHE A 68 111.263 -8.281 17.273 1.00 0.00 C ATOM 0 H PHE A 68 114.033 -4.696 16.317 1.00 0.00 H new ATOM 0 HA PHE A 68 114.545 -4.870 19.241 1.00 0.00 H new ATOM 0 HB2 PHE A 68 115.716 -6.540 16.979 1.00 0.00 H new ATOM 0 HB3 PHE A 68 115.651 -6.948 18.682 1.00 0.00 H new ATOM 0 HD1 PHE A 68 113.435 -6.152 15.759 1.00 0.00 H new ATOM 0 HD2 PHE A 68 113.797 -8.149 19.547 1.00 0.00 H new ATOM 0 HE1 PHE A 68 111.225 -7.218 15.410 1.00 0.00 H new ATOM 0 HE2 PHE A 68 111.580 -9.211 19.192 1.00 0.00 H new ATOM 0 HZ PHE A 68 110.300 -8.745 17.117 1.00 0.00 H new ATOM 1018 N ASN A 69 116.811 -3.756 19.226 1.00 0.00 N ATOM 1019 CA ASN A 69 118.121 -3.045 19.178 1.00 0.00 C ATOM 1020 C ASN A 69 119.242 -4.042 18.889 1.00 0.00 C ATOM 1021 O ASN A 69 119.004 -5.205 18.640 1.00 0.00 O ATOM 1022 CB ASN A 69 118.383 -2.364 20.524 1.00 0.00 C ATOM 1023 CG ASN A 69 117.436 -1.173 20.688 1.00 0.00 C ATOM 1024 OD1 ASN A 69 116.886 -0.682 19.722 1.00 0.00 O ATOM 1025 ND2 ASN A 69 117.221 -0.687 21.879 1.00 0.00 N ATOM 0 H ASN A 69 116.379 -3.812 20.148 1.00 0.00 H new ATOM 0 HA ASN A 69 118.092 -2.295 18.387 1.00 0.00 H new ATOM 0 HB2 ASN A 69 118.235 -3.074 21.338 1.00 0.00 H new ATOM 0 HB3 ASN A 69 119.419 -2.029 20.578 1.00 0.00 H new ATOM 0 HD21 ASN A 69 116.591 0.106 22.000 1.00 0.00 H new ATOM 0 HD22 ASN A 69 117.683 -1.100 22.689 1.00 0.00 H new ATOM 1032 N LEU A 70 120.466 -3.591 18.916 1.00 0.00 N ATOM 1033 CA LEU A 70 121.606 -4.508 18.640 1.00 0.00 C ATOM 1034 C LEU A 70 121.641 -5.595 19.716 1.00 0.00 C ATOM 1035 O LEU A 70 122.168 -6.670 19.512 1.00 0.00 O ATOM 1036 CB LEU A 70 122.918 -3.720 18.657 1.00 0.00 C ATOM 1037 CG LEU A 70 122.808 -2.517 17.715 1.00 0.00 C ATOM 1038 CD1 LEU A 70 124.127 -1.743 17.714 1.00 0.00 C ATOM 1039 CD2 LEU A 70 122.503 -3.001 16.296 1.00 0.00 C ATOM 0 H LEU A 70 120.725 -2.625 19.118 1.00 0.00 H new ATOM 0 HA LEU A 70 121.481 -4.966 17.659 1.00 0.00 H new ATOM 0 HB2 LEU A 70 123.138 -3.382 19.670 1.00 0.00 H new ATOM 0 HB3 LEU A 70 123.743 -4.362 18.349 1.00 0.00 H new ATOM 0 HG LEU A 70 122.004 -1.866 18.058 1.00 0.00 H new ATOM 0 HD11 LEU A 70 124.046 -0.888 17.043 1.00 0.00 H new ATOM 0 HD12 LEU A 70 124.344 -1.393 18.723 1.00 0.00 H new ATOM 0 HD13 LEU A 70 124.932 -2.396 17.375 1.00 0.00 H new ATOM 0 HD21 LEU A 70 122.425 -2.143 15.628 1.00 0.00 H new ATOM 0 HD22 LEU A 70 123.305 -3.655 15.955 1.00 0.00 H new ATOM 0 HD23 LEU A 70 121.561 -3.550 16.293 1.00 0.00 H new ATOM 1051 N SER A 71 121.069 -5.325 20.859 1.00 0.00 N ATOM 1052 CA SER A 71 121.052 -6.343 21.946 1.00 0.00 C ATOM 1053 C SER A 71 119.899 -7.316 21.691 1.00 0.00 C ATOM 1054 O SER A 71 119.744 -8.307 22.377 1.00 0.00 O ATOM 1055 CB SER A 71 120.842 -5.650 23.292 1.00 0.00 C ATOM 1056 OG SER A 71 121.682 -4.505 23.367 1.00 0.00 O ATOM 0 H SER A 71 120.612 -4.442 21.086 1.00 0.00 H new ATOM 0 HA SER A 71 121.999 -6.882 21.963 1.00 0.00 H new ATOM 0 HB2 SER A 71 119.798 -5.357 23.404 1.00 0.00 H new ATOM 0 HB3 SER A 71 121.070 -6.337 24.107 1.00 0.00 H new ATOM 0 HG SER A 71 121.548 -4.057 24.228 1.00 0.00 H new ATOM 1062 N GLY A 72 119.090 -7.036 20.705 1.00 0.00 N ATOM 1063 CA GLY A 72 117.945 -7.934 20.393 1.00 0.00 C ATOM 1064 C GLY A 72 116.776 -7.613 21.326 1.00 0.00 C ATOM 1065 O GLY A 72 115.884 -8.414 21.517 1.00 0.00 O ATOM 0 H GLY A 72 119.175 -6.219 20.100 1.00 0.00 H new ATOM 0 HA2 GLY A 72 117.641 -7.806 19.354 1.00 0.00 H new ATOM 0 HA3 GLY A 72 118.243 -8.976 20.511 1.00 0.00 H new ATOM 1069 N LYS A 73 116.776 -6.445 21.910 1.00 0.00 N ATOM 1070 CA LYS A 73 115.663 -6.069 22.831 1.00 0.00 C ATOM 1071 C LYS A 73 114.697 -5.136 22.095 1.00 0.00 C ATOM 1072 O LYS A 73 115.109 -4.260 21.361 1.00 0.00 O ATOM 1073 CB LYS A 73 116.240 -5.350 24.054 1.00 0.00 C ATOM 1074 CG LYS A 73 117.104 -6.324 24.862 1.00 0.00 C ATOM 1075 CD LYS A 73 117.708 -5.598 26.067 1.00 0.00 C ATOM 1076 CE LYS A 73 118.577 -6.570 26.868 1.00 0.00 C ATOM 1077 NZ LYS A 73 119.190 -5.853 28.023 1.00 0.00 N ATOM 0 H LYS A 73 117.498 -5.735 21.790 1.00 0.00 H new ATOM 0 HA LYS A 73 115.131 -6.964 23.155 1.00 0.00 H new ATOM 0 HB2 LYS A 73 116.837 -4.495 23.738 1.00 0.00 H new ATOM 0 HB3 LYS A 73 115.433 -4.963 24.675 1.00 0.00 H new ATOM 0 HG2 LYS A 73 116.501 -7.168 25.198 1.00 0.00 H new ATOM 0 HG3 LYS A 73 117.897 -6.729 24.234 1.00 0.00 H new ATOM 0 HD2 LYS A 73 118.306 -4.751 25.732 1.00 0.00 H new ATOM 0 HD3 LYS A 73 116.915 -5.198 26.699 1.00 0.00 H new ATOM 0 HE2 LYS A 73 117.974 -7.405 27.223 1.00 0.00 H new ATOM 0 HE3 LYS A 73 119.356 -6.988 26.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 119.781 -6.513 28.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 119.778 -5.070 27.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 118.439 -5.475 28.635 1.00 0.00 H new ATOM 1091 N ASN A 74 113.415 -5.318 22.280 1.00 0.00 N ATOM 1092 CA ASN A 74 112.430 -4.445 21.576 1.00 0.00 C ATOM 1093 C ASN A 74 112.255 -3.131 22.342 1.00 0.00 C ATOM 1094 O ASN A 74 111.699 -3.100 23.422 1.00 0.00 O ATOM 1095 CB ASN A 74 111.082 -5.165 21.485 1.00 0.00 C ATOM 1096 CG ASN A 74 110.114 -4.330 20.645 1.00 0.00 C ATOM 1097 OD1 ASN A 74 110.513 -3.699 19.686 1.00 0.00 O ATOM 1098 ND2 ASN A 74 108.849 -4.298 20.965 1.00 0.00 N ATOM 0 H ASN A 74 113.009 -6.031 22.886 1.00 0.00 H new ATOM 0 HA ASN A 74 112.798 -4.229 20.573 1.00 0.00 H new ATOM 0 HB2 ASN A 74 111.213 -6.150 21.037 1.00 0.00 H new ATOM 0 HB3 ASN A 74 110.673 -5.321 22.483 1.00 0.00 H new ATOM 0 HD21 ASN A 74 108.197 -3.744 20.410 1.00 0.00 H new ATOM 0 HD22 ASN A 74 108.513 -4.827 21.770 1.00 0.00 H new ATOM 1105 N GLU A 75 112.730 -2.047 21.787 1.00 0.00 N ATOM 1106 CA GLU A 75 112.594 -0.732 22.478 1.00 0.00 C ATOM 1107 C GLU A 75 112.430 0.389 21.445 1.00 0.00 C ATOM 1108 O GLU A 75 113.045 0.375 20.396 1.00 0.00 O ATOM 1109 CB GLU A 75 113.855 -0.462 23.312 1.00 0.00 C ATOM 1110 CG GLU A 75 113.926 -1.450 24.480 1.00 0.00 C ATOM 1111 CD GLU A 75 115.200 -1.197 25.290 1.00 0.00 C ATOM 1112 OE1 GLU A 75 115.924 -0.276 24.948 1.00 0.00 O ATOM 1113 OE2 GLU A 75 115.428 -1.929 26.238 1.00 0.00 O ATOM 0 H GLU A 75 113.206 -2.016 20.885 1.00 0.00 H new ATOM 0 HA GLU A 75 111.717 -0.760 23.125 1.00 0.00 H new ATOM 0 HB2 GLU A 75 114.743 -0.559 22.687 1.00 0.00 H new ATOM 0 HB3 GLU A 75 113.841 0.561 23.689 1.00 0.00 H new ATOM 0 HG2 GLU A 75 113.049 -1.338 25.118 1.00 0.00 H new ATOM 0 HG3 GLU A 75 113.919 -2.473 24.105 1.00 0.00 H new ATOM 1120 N ASN A 76 111.604 1.357 21.733 1.00 0.00 N ATOM 1121 CA ASN A 76 111.396 2.467 20.756 1.00 0.00 C ATOM 1122 C ASN A 76 112.730 3.171 20.498 1.00 0.00 C ATOM 1123 O ASN A 76 113.552 3.303 21.381 1.00 0.00 O ATOM 1124 CB ASN A 76 110.394 3.472 21.337 1.00 0.00 C ATOM 1125 CG ASN A 76 109.001 2.836 21.411 1.00 0.00 C ATOM 1126 OD1 ASN A 76 108.820 1.821 22.054 1.00 0.00 O ATOM 1127 ND2 ASN A 76 108.004 3.397 20.782 1.00 0.00 N ATOM 0 H ASN A 76 111.066 1.429 22.597 1.00 0.00 H new ATOM 0 HA ASN A 76 111.009 2.064 19.820 1.00 0.00 H new ATOM 0 HB2 ASN A 76 110.714 3.785 22.331 1.00 0.00 H new ATOM 0 HB3 ASN A 76 110.362 4.367 20.716 1.00 0.00 H new ATOM 0 HD21 ASN A 76 107.073 2.983 20.830 1.00 0.00 H new ATOM 0 HD22 ASN A 76 108.156 4.249 20.242 1.00 0.00 H new ATOM 1134 N LEU A 77 112.960 3.609 19.287 1.00 0.00 N ATOM 1135 CA LEU A 77 114.249 4.291 18.965 1.00 0.00 C ATOM 1136 C LEU A 77 114.061 5.811 19.031 1.00 0.00 C ATOM 1137 O LEU A 77 114.933 6.571 18.654 1.00 0.00 O ATOM 1138 CB LEU A 77 114.693 3.895 17.553 1.00 0.00 C ATOM 1139 CG LEU A 77 116.198 4.138 17.385 1.00 0.00 C ATOM 1140 CD1 LEU A 77 116.985 3.223 18.339 1.00 0.00 C ATOM 1141 CD2 LEU A 77 116.604 3.835 15.940 1.00 0.00 C ATOM 0 H LEU A 77 112.310 3.524 18.506 1.00 0.00 H new ATOM 0 HA LEU A 77 115.008 3.990 19.687 1.00 0.00 H new ATOM 0 HB2 LEU A 77 114.464 2.845 17.373 1.00 0.00 H new ATOM 0 HB3 LEU A 77 114.139 4.473 16.814 1.00 0.00 H new ATOM 0 HG LEU A 77 116.422 5.179 17.619 1.00 0.00 H new ATOM 0 HD11 LEU A 77 118.053 3.400 18.215 1.00 0.00 H new ATOM 0 HD12 LEU A 77 116.699 3.438 19.368 1.00 0.00 H new ATOM 0 HD13 LEU A 77 116.761 2.181 18.111 1.00 0.00 H new ATOM 0 HD21 LEU A 77 117.673 4.007 15.819 1.00 0.00 H new ATOM 0 HD22 LEU A 77 116.375 2.795 15.708 1.00 0.00 H new ATOM 0 HD23 LEU A 77 116.052 4.487 15.263 1.00 0.00 H new ATOM 1153 N GLU A 78 112.928 6.260 19.493 1.00 0.00 N ATOM 1154 CA GLU A 78 112.687 7.732 19.571 1.00 0.00 C ATOM 1155 C GLU A 78 113.573 8.353 20.656 1.00 0.00 C ATOM 1156 O GLU A 78 114.098 9.437 20.495 1.00 0.00 O ATOM 1157 CB GLU A 78 111.213 8.002 19.883 1.00 0.00 C ATOM 1158 CG GLU A 78 110.875 7.500 21.287 1.00 0.00 C ATOM 1159 CD GLU A 78 109.384 7.716 21.557 1.00 0.00 C ATOM 1160 OE1 GLU A 78 108.743 8.360 20.744 1.00 0.00 O ATOM 1161 OE2 GLU A 78 108.911 7.237 22.574 1.00 0.00 O ATOM 0 H GLU A 78 112.159 5.675 19.820 1.00 0.00 H new ATOM 0 HA GLU A 78 112.937 8.183 18.611 1.00 0.00 H new ATOM 0 HB2 GLU A 78 111.007 9.070 19.810 1.00 0.00 H new ATOM 0 HB3 GLU A 78 110.580 7.505 19.148 1.00 0.00 H new ATOM 0 HG2 GLU A 78 111.123 6.442 21.377 1.00 0.00 H new ATOM 0 HG3 GLU A 78 111.471 8.031 22.029 1.00 0.00 H new ATOM 1168 N ASN A 79 113.748 7.676 21.757 1.00 0.00 N ATOM 1169 CA ASN A 79 114.606 8.235 22.840 1.00 0.00 C ATOM 1170 C ASN A 79 116.037 8.394 22.318 1.00 0.00 C ATOM 1171 O ASN A 79 116.751 9.302 22.696 1.00 0.00 O ATOM 1172 CB ASN A 79 114.602 7.283 24.038 1.00 0.00 C ATOM 1173 CG ASN A 79 115.261 5.961 23.641 1.00 0.00 C ATOM 1174 OD1 ASN A 79 115.372 5.651 22.472 1.00 0.00 O ATOM 1175 ND2 ASN A 79 115.710 5.163 24.571 1.00 0.00 N ATOM 0 H ASN A 79 113.336 6.764 21.954 1.00 0.00 H new ATOM 0 HA ASN A 79 114.219 9.206 23.149 1.00 0.00 H new ATOM 0 HB2 ASN A 79 115.138 7.732 24.875 1.00 0.00 H new ATOM 0 HB3 ASN A 79 113.580 7.106 24.372 1.00 0.00 H new ATOM 0 HD21 ASN A 79 116.153 4.281 24.316 1.00 0.00 H new ATOM 0 HD22 ASN A 79 115.618 5.422 25.553 1.00 0.00 H new ATOM 1182 N LYS A 80 116.455 7.521 21.442 1.00 0.00 N ATOM 1183 CA LYS A 80 117.830 7.627 20.878 1.00 0.00 C ATOM 1184 C LYS A 80 117.903 8.818 19.919 1.00 0.00 C ATOM 1185 O LYS A 80 118.778 9.655 20.013 1.00 0.00 O ATOM 1186 CB LYS A 80 118.163 6.341 20.121 1.00 0.00 C ATOM 1187 CG LYS A 80 119.559 6.445 19.497 1.00 0.00 C ATOM 1188 CD LYS A 80 119.881 5.159 18.732 1.00 0.00 C ATOM 1189 CE LYS A 80 120.240 4.042 19.716 1.00 0.00 C ATOM 1190 NZ LYS A 80 120.838 2.899 18.976 1.00 0.00 N ATOM 0 H LYS A 80 115.902 6.738 21.092 1.00 0.00 H new ATOM 0 HA LYS A 80 118.546 7.773 21.687 1.00 0.00 H new ATOM 0 HB2 LYS A 80 118.122 5.489 20.800 1.00 0.00 H new ATOM 0 HB3 LYS A 80 117.420 6.165 19.343 1.00 0.00 H new ATOM 0 HG2 LYS A 80 119.604 7.301 18.823 1.00 0.00 H new ATOM 0 HG3 LYS A 80 120.304 6.613 20.275 1.00 0.00 H new ATOM 0 HD2 LYS A 80 119.024 4.861 18.127 1.00 0.00 H new ATOM 0 HD3 LYS A 80 120.710 5.332 18.046 1.00 0.00 H new ATOM 0 HE2 LYS A 80 120.943 4.413 20.462 1.00 0.00 H new ATOM 0 HE3 LYS A 80 119.349 3.715 20.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 121.081 2.141 19.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 120.154 2.540 18.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 121.698 3.216 18.484 1.00 0.00 H new ATOM 1204 N LEU A 81 116.984 8.893 18.994 1.00 0.00 N ATOM 1205 CA LEU A 81 116.989 10.020 18.019 1.00 0.00 C ATOM 1206 C LEU A 81 115.549 10.470 17.764 1.00 0.00 C ATOM 1207 O LEU A 81 114.690 9.671 17.449 1.00 0.00 O ATOM 1208 CB LEU A 81 117.617 9.548 16.706 1.00 0.00 C ATOM 1209 CG LEU A 81 117.788 10.735 15.753 1.00 0.00 C ATOM 1210 CD1 LEU A 81 118.762 11.753 16.362 1.00 0.00 C ATOM 1211 CD2 LEU A 81 118.346 10.233 14.420 1.00 0.00 C ATOM 0 H LEU A 81 116.228 8.220 18.872 1.00 0.00 H new ATOM 0 HA LEU A 81 117.566 10.853 18.420 1.00 0.00 H new ATOM 0 HB2 LEU A 81 118.584 9.085 16.901 1.00 0.00 H new ATOM 0 HB3 LEU A 81 116.987 8.788 16.244 1.00 0.00 H new ATOM 0 HG LEU A 81 116.822 11.214 15.592 1.00 0.00 H new ATOM 0 HD11 LEU A 81 118.881 12.596 15.681 1.00 0.00 H new ATOM 0 HD12 LEU A 81 118.368 12.109 17.314 1.00 0.00 H new ATOM 0 HD13 LEU A 81 119.730 11.279 16.524 1.00 0.00 H new ATOM 0 HD21 LEU A 81 118.470 11.074 13.738 1.00 0.00 H new ATOM 0 HD22 LEU A 81 119.312 9.756 14.586 1.00 0.00 H new ATOM 0 HD23 LEU A 81 117.655 9.511 13.985 1.00 0.00 H new ATOM 1223 N LYS A 82 115.273 11.738 17.893 1.00 0.00 N ATOM 1224 CA LYS A 82 113.884 12.222 17.651 1.00 0.00 C ATOM 1225 C LYS A 82 113.655 12.386 16.145 1.00 0.00 C ATOM 1226 O LYS A 82 113.858 13.445 15.586 1.00 0.00 O ATOM 1227 CB LYS A 82 113.680 13.568 18.350 1.00 0.00 C ATOM 1228 CG LYS A 82 112.224 14.012 18.189 1.00 0.00 C ATOM 1229 CD LYS A 82 111.999 15.319 18.953 1.00 0.00 C ATOM 1230 CE LYS A 82 110.535 15.742 18.819 1.00 0.00 C ATOM 1231 NZ LYS A 82 110.243 16.088 17.399 1.00 0.00 N ATOM 0 H LYS A 82 115.946 12.458 18.155 1.00 0.00 H new ATOM 0 HA LYS A 82 113.174 11.498 18.049 1.00 0.00 H new ATOM 0 HB2 LYS A 82 113.930 13.482 19.407 1.00 0.00 H new ATOM 0 HB3 LYS A 82 114.349 14.316 17.924 1.00 0.00 H new ATOM 0 HG2 LYS A 82 111.990 14.151 17.134 1.00 0.00 H new ATOM 0 HG3 LYS A 82 111.554 13.239 18.565 1.00 0.00 H new ATOM 0 HD2 LYS A 82 112.256 15.187 20.004 1.00 0.00 H new ATOM 0 HD3 LYS A 82 112.651 16.099 18.561 1.00 0.00 H new ATOM 0 HE2 LYS A 82 109.881 14.935 19.149 1.00 0.00 H new ATOM 0 HE3 LYS A 82 110.333 16.599 19.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 109.371 16.653 17.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 111.034 16.638 17.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 110.120 15.215 16.847 1.00 0.00 H new ATOM 1245 N LEU A 83 113.237 11.339 15.484 1.00 0.00 N ATOM 1246 CA LEU A 83 112.998 11.424 14.015 1.00 0.00 C ATOM 1247 C LEU A 83 111.747 12.258 13.738 1.00 0.00 C ATOM 1248 O LEU A 83 110.850 12.341 14.554 1.00 0.00 O ATOM 1249 CB LEU A 83 112.803 10.018 13.445 1.00 0.00 C ATOM 1250 CG LEU A 83 114.103 9.221 13.578 1.00 0.00 C ATOM 1251 CD1 LEU A 83 113.869 7.790 13.090 1.00 0.00 C ATOM 1252 CD2 LEU A 83 115.200 9.877 12.733 1.00 0.00 C ATOM 0 H LEU A 83 113.051 10.427 15.900 1.00 0.00 H new ATOM 0 HA LEU A 83 113.859 11.896 13.542 1.00 0.00 H new ATOM 0 HB2 LEU A 83 111.998 9.509 13.975 1.00 0.00 H new ATOM 0 HB3 LEU A 83 112.508 10.078 12.397 1.00 0.00 H new ATOM 0 HG LEU A 83 114.415 9.206 14.622 1.00 0.00 H new ATOM 0 HD11 LEU A 83 114.792 7.218 13.183 1.00 0.00 H new ATOM 0 HD12 LEU A 83 113.091 7.323 13.693 1.00 0.00 H new ATOM 0 HD13 LEU A 83 113.557 7.808 12.046 1.00 0.00 H new ATOM 0 HD21 LEU A 83 116.124 9.307 12.830 1.00 0.00 H new ATOM 0 HD22 LEU A 83 114.892 9.894 11.687 1.00 0.00 H new ATOM 0 HD23 LEU A 83 115.365 10.897 13.079 1.00 0.00 H new ATOM 1264 N THR A 84 111.686 12.879 12.587 1.00 0.00 N ATOM 1265 CA THR A 84 110.491 13.715 12.250 1.00 0.00 C ATOM 1266 C THR A 84 109.947 13.293 10.884 1.00 0.00 C ATOM 1267 O THR A 84 110.619 12.623 10.125 1.00 0.00 O ATOM 1268 CB THR A 84 110.900 15.189 12.193 1.00 0.00 C ATOM 1269 OG1 THR A 84 111.781 15.391 11.097 1.00 0.00 O ATOM 1270 CG2 THR A 84 111.604 15.578 13.494 1.00 0.00 C ATOM 0 H THR A 84 112.408 12.844 11.868 1.00 0.00 H new ATOM 0 HA THR A 84 109.724 13.576 13.012 1.00 0.00 H new ATOM 0 HB THR A 84 110.012 15.808 12.066 1.00 0.00 H new ATOM 0 HG1 THR A 84 112.043 16.335 11.057 1.00 0.00 H new ATOM 0 HG21 THR A 84 111.894 16.628 13.451 1.00 0.00 H new ATOM 0 HG22 THR A 84 110.927 15.423 14.334 1.00 0.00 H new ATOM 0 HG23 THR A 84 112.493 14.961 13.625 1.00 0.00 H new ATOM 1278 N ASN A 85 108.737 13.675 10.563 1.00 0.00 N ATOM 1279 CA ASN A 85 108.162 13.297 9.244 1.00 0.00 C ATOM 1280 C ASN A 85 108.210 11.778 9.070 1.00 0.00 C ATOM 1281 O ASN A 85 108.710 11.272 8.086 1.00 0.00 O ATOM 1282 CB ASN A 85 108.959 13.969 8.125 1.00 0.00 C ATOM 1283 CG ASN A 85 108.692 15.477 8.141 1.00 0.00 C ATOM 1284 OD1 ASN A 85 108.575 16.074 9.192 1.00 0.00 O ATOM 1285 ND2 ASN A 85 108.590 16.119 7.009 1.00 0.00 N ATOM 0 H ASN A 85 108.125 14.232 11.159 1.00 0.00 H new ATOM 0 HA ASN A 85 107.124 13.628 9.199 1.00 0.00 H new ATOM 0 HB2 ASN A 85 110.024 13.776 8.256 1.00 0.00 H new ATOM 0 HB3 ASN A 85 108.676 13.549 7.160 1.00 0.00 H new ATOM 0 HD21 ASN A 85 108.412 17.123 7.007 1.00 0.00 H new ATOM 0 HD22 ASN A 85 108.689 15.616 6.127 1.00 0.00 H new ATOM 1292 N ILE A 86 107.699 11.048 10.023 1.00 0.00 N ATOM 1293 CA ILE A 86 107.722 9.563 9.923 1.00 0.00 C ATOM 1294 C ILE A 86 106.581 9.081 9.020 1.00 0.00 C ATOM 1295 O ILE A 86 105.435 9.433 9.210 1.00 0.00 O ATOM 1296 CB ILE A 86 107.565 8.967 11.324 1.00 0.00 C ATOM 1297 CG1 ILE A 86 108.792 9.328 12.166 1.00 0.00 C ATOM 1298 CG2 ILE A 86 107.438 7.446 11.227 1.00 0.00 C ATOM 1299 CD1 ILE A 86 108.532 8.976 13.631 1.00 0.00 C ATOM 0 H ILE A 86 107.265 11.418 10.869 1.00 0.00 H new ATOM 0 HA ILE A 86 108.669 9.240 9.491 1.00 0.00 H new ATOM 0 HB ILE A 86 106.668 9.371 11.793 1.00 0.00 H new ATOM 0 HG12 ILE A 86 109.667 8.789 11.802 1.00 0.00 H new ATOM 0 HG13 ILE A 86 109.011 10.392 12.071 1.00 0.00 H new ATOM 0 HG21 ILE A 86 107.326 7.026 12.227 1.00 0.00 H new ATOM 0 HG22 ILE A 86 106.565 7.191 10.627 1.00 0.00 H new ATOM 0 HG23 ILE A 86 108.332 7.035 10.759 1.00 0.00 H new ATOM 0 HD11 ILE A 86 109.407 9.234 14.228 1.00 0.00 H new ATOM 0 HD12 ILE A 86 107.669 9.535 13.992 1.00 0.00 H new ATOM 0 HD13 ILE A 86 108.335 7.908 13.719 1.00 0.00 H new ATOM 1311 N ILE A 87 106.895 8.267 8.043 1.00 0.00 N ATOM 1312 CA ILE A 87 105.839 7.745 7.120 1.00 0.00 C ATOM 1313 C ILE A 87 105.866 6.215 7.141 1.00 0.00 C ATOM 1314 O ILE A 87 106.879 5.612 6.853 1.00 0.00 O ATOM 1315 CB ILE A 87 106.127 8.224 5.694 1.00 0.00 C ATOM 1316 CG1 ILE A 87 106.131 9.757 5.651 1.00 0.00 C ATOM 1317 CG2 ILE A 87 105.057 7.686 4.742 1.00 0.00 C ATOM 1318 CD1 ILE A 87 104.795 10.303 6.166 1.00 0.00 C ATOM 0 H ILE A 87 107.840 7.940 7.844 1.00 0.00 H new ATOM 0 HA ILE A 87 104.863 8.107 7.442 1.00 0.00 H new ATOM 0 HB ILE A 87 107.104 7.854 5.384 1.00 0.00 H new ATOM 0 HG12 ILE A 87 106.949 10.143 6.259 1.00 0.00 H new ATOM 0 HG13 ILE A 87 106.303 10.099 4.631 1.00 0.00 H new ATOM 0 HG21 ILE A 87 105.266 8.029 3.729 1.00 0.00 H new ATOM 0 HG22 ILE A 87 105.064 6.596 4.765 1.00 0.00 H new ATOM 0 HG23 ILE A 87 104.077 8.049 5.053 1.00 0.00 H new ATOM 0 HD11 ILE A 87 104.809 11.392 6.131 1.00 0.00 H new ATOM 0 HD12 ILE A 87 103.984 9.930 5.540 1.00 0.00 H new ATOM 0 HD13 ILE A 87 104.640 9.975 7.194 1.00 0.00 H new ATOM 1330 N MET A 88 104.767 5.578 7.477 1.00 0.00 N ATOM 1331 CA MET A 88 104.750 4.082 7.509 1.00 0.00 C ATOM 1332 C MET A 88 103.639 3.556 6.594 1.00 0.00 C ATOM 1333 O MET A 88 102.472 3.602 6.931 1.00 0.00 O ATOM 1334 CB MET A 88 104.496 3.605 8.941 1.00 0.00 C ATOM 1335 CG MET A 88 105.542 4.217 9.877 1.00 0.00 C ATOM 1336 SD MET A 88 105.243 3.650 11.570 1.00 0.00 S ATOM 1337 CE MET A 88 105.754 1.929 11.339 1.00 0.00 C ATOM 0 H MET A 88 103.887 6.028 7.729 1.00 0.00 H new ATOM 0 HA MET A 88 105.712 3.705 7.162 1.00 0.00 H new ATOM 0 HB2 MET A 88 103.494 3.894 9.259 1.00 0.00 H new ATOM 0 HB3 MET A 88 104.544 2.517 8.987 1.00 0.00 H new ATOM 0 HG2 MET A 88 106.544 3.930 9.558 1.00 0.00 H new ATOM 0 HG3 MET A 88 105.493 5.305 9.833 1.00 0.00 H new ATOM 0 HE1 MET A 88 106.157 1.540 12.274 1.00 0.00 H new ATOM 0 HE2 MET A 88 104.894 1.331 11.038 1.00 0.00 H new ATOM 0 HE3 MET A 88 106.520 1.878 10.565 1.00 0.00 H new ATOM 1347 N ASP A 89 103.996 3.043 5.443 1.00 0.00 N ATOM 1348 CA ASP A 89 102.968 2.493 4.504 1.00 0.00 C ATOM 1349 C ASP A 89 103.159 0.976 4.387 1.00 0.00 C ATOM 1350 O ASP A 89 104.039 0.500 3.694 1.00 0.00 O ATOM 1351 CB ASP A 89 103.140 3.138 3.129 1.00 0.00 C ATOM 1352 CG ASP A 89 102.667 4.591 3.181 1.00 0.00 C ATOM 1353 OD1 ASP A 89 101.981 4.938 4.129 1.00 0.00 O ATOM 1354 OD2 ASP A 89 102.998 5.335 2.272 1.00 0.00 O ATOM 0 H ASP A 89 104.959 2.981 5.111 1.00 0.00 H new ATOM 0 HA ASP A 89 101.968 2.709 4.881 1.00 0.00 H new ATOM 0 HB2 ASP A 89 104.186 3.096 2.825 1.00 0.00 H new ATOM 0 HB3 ASP A 89 102.569 2.586 2.383 1.00 0.00 H new ATOM 1359 N HIS A 90 102.343 0.209 5.057 1.00 0.00 N ATOM 1360 CA HIS A 90 102.481 -1.274 4.987 1.00 0.00 C ATOM 1361 C HIS A 90 102.000 -1.798 3.630 1.00 0.00 C ATOM 1362 O HIS A 90 102.546 -2.741 3.093 1.00 0.00 O ATOM 1363 CB HIS A 90 101.656 -1.913 6.103 1.00 0.00 C ATOM 1364 CG HIS A 90 102.233 -1.523 7.435 1.00 0.00 C ATOM 1365 ND1 HIS A 90 103.488 -1.947 7.851 1.00 0.00 N ATOM 1366 CD2 HIS A 90 101.740 -0.750 8.458 1.00 0.00 C ATOM 1367 CE1 HIS A 90 103.706 -1.430 9.075 1.00 0.00 C ATOM 1368 NE2 HIS A 90 102.672 -0.695 9.489 1.00 0.00 N ATOM 0 H HIS A 90 101.585 0.546 5.651 1.00 0.00 H new ATOM 0 HA HIS A 90 103.533 -1.534 5.107 1.00 0.00 H new ATOM 0 HB2 HIS A 90 100.618 -1.588 6.035 1.00 0.00 H new ATOM 0 HB3 HIS A 90 101.658 -2.998 5.997 1.00 0.00 H new ATOM 0 HD2 HIS A 90 100.777 -0.261 8.461 1.00 0.00 H new ATOM 0 HE1 HIS A 90 104.606 -1.590 9.650 1.00 0.00 H new ATOM 0 HE2 HIS A 90 102.584 -0.198 10.375 1.00 0.00 H new ATOM 1377 N TYR A 91 100.977 -1.209 3.072 1.00 0.00 N ATOM 1378 CA TYR A 91 100.470 -1.699 1.756 1.00 0.00 C ATOM 1379 C TYR A 91 101.576 -1.588 0.706 1.00 0.00 C ATOM 1380 O TYR A 91 101.823 -2.510 -0.046 1.00 0.00 O ATOM 1381 CB TYR A 91 99.263 -0.865 1.320 1.00 0.00 C ATOM 1382 CG TYR A 91 98.821 -1.311 -0.052 1.00 0.00 C ATOM 1383 CD1 TYR A 91 98.163 -2.535 -0.214 1.00 0.00 C ATOM 1384 CD2 TYR A 91 99.071 -0.498 -1.165 1.00 0.00 C ATOM 1385 CE1 TYR A 91 97.755 -2.948 -1.489 1.00 0.00 C ATOM 1386 CE2 TYR A 91 98.664 -0.911 -2.439 1.00 0.00 C ATOM 1387 CZ TYR A 91 98.006 -2.136 -2.601 1.00 0.00 C ATOM 1388 OH TYR A 91 97.605 -2.543 -3.857 1.00 0.00 O ATOM 0 H TYR A 91 100.473 -0.415 3.466 1.00 0.00 H new ATOM 0 HA TYR A 91 100.168 -2.742 1.855 1.00 0.00 H new ATOM 0 HB2 TYR A 91 98.448 -0.983 2.034 1.00 0.00 H new ATOM 0 HB3 TYR A 91 99.523 0.193 1.305 1.00 0.00 H new ATOM 0 HD1 TYR A 91 97.970 -3.162 0.644 1.00 0.00 H new ATOM 0 HD2 TYR A 91 99.578 0.448 -1.040 1.00 0.00 H new ATOM 0 HE1 TYR A 91 97.247 -3.893 -1.614 1.00 0.00 H new ATOM 0 HE2 TYR A 91 98.858 -0.285 -3.297 1.00 0.00 H new ATOM 0 HH TYR A 91 97.855 -1.863 -4.517 1.00 0.00 H new ATOM 1398 N ASN A 92 102.252 -0.472 0.652 1.00 0.00 N ATOM 1399 CA ASN A 92 103.346 -0.318 -0.347 1.00 0.00 C ATOM 1400 C ASN A 92 104.659 -0.799 0.273 1.00 0.00 C ATOM 1401 O ASN A 92 105.678 -0.874 -0.385 1.00 0.00 O ATOM 1402 CB ASN A 92 103.472 1.153 -0.748 1.00 0.00 C ATOM 1403 CG ASN A 92 102.290 1.544 -1.637 1.00 0.00 C ATOM 1404 OD1 ASN A 92 101.643 0.693 -2.216 1.00 0.00 O ATOM 1405 ND2 ASN A 92 101.979 2.804 -1.771 1.00 0.00 N ATOM 0 H ASN A 92 102.094 0.336 1.254 1.00 0.00 H new ATOM 0 HA ASN A 92 103.121 -0.910 -1.234 1.00 0.00 H new ATOM 0 HB2 ASN A 92 103.495 1.782 0.142 1.00 0.00 H new ATOM 0 HB3 ASN A 92 104.410 1.317 -1.279 1.00 0.00 H new ATOM 0 HD21 ASN A 92 101.193 3.075 -2.362 1.00 0.00 H new ATOM 0 HD22 ASN A 92 102.522 3.518 -1.285 1.00 0.00 H new ATOM 1412 N ASN A 93 104.632 -1.143 1.532 1.00 0.00 N ATOM 1413 CA ASN A 93 105.865 -1.644 2.200 1.00 0.00 C ATOM 1414 C ASN A 93 107.004 -0.637 2.033 1.00 0.00 C ATOM 1415 O ASN A 93 108.108 -0.997 1.674 1.00 0.00 O ATOM 1416 CB ASN A 93 106.273 -2.985 1.577 1.00 0.00 C ATOM 1417 CG ASN A 93 105.264 -4.063 1.976 1.00 0.00 C ATOM 1418 OD1 ASN A 93 104.535 -3.903 2.935 1.00 0.00 O ATOM 1419 ND2 ASN A 93 105.190 -5.165 1.278 1.00 0.00 N ATOM 0 H ASN A 93 103.805 -1.098 2.128 1.00 0.00 H new ATOM 0 HA ASN A 93 105.664 -1.777 3.263 1.00 0.00 H new ATOM 0 HB2 ASN A 93 106.315 -2.896 0.491 1.00 0.00 H new ATOM 0 HB3 ASN A 93 107.272 -3.265 1.913 1.00 0.00 H new ATOM 0 HD21 ASN A 93 104.521 -5.890 1.538 1.00 0.00 H new ATOM 0 HD22 ASN A 93 105.801 -5.301 0.473 1.00 0.00 H new ATOM 1426 N THR A 94 106.750 0.624 2.288 1.00 0.00 N ATOM 1427 CA THR A 94 107.824 1.652 2.143 1.00 0.00 C ATOM 1428 C THR A 94 107.849 2.537 3.392 1.00 0.00 C ATOM 1429 O THR A 94 106.820 2.951 3.890 1.00 0.00 O ATOM 1430 CB THR A 94 107.552 2.513 0.908 1.00 0.00 C ATOM 1431 OG1 THR A 94 108.453 3.610 0.893 1.00 0.00 O ATOM 1432 CG2 THR A 94 106.115 3.032 0.949 1.00 0.00 C ATOM 0 H THR A 94 105.845 0.984 2.590 1.00 0.00 H new ATOM 0 HA THR A 94 108.788 1.156 2.027 1.00 0.00 H new ATOM 0 HB THR A 94 107.691 1.913 0.009 1.00 0.00 H new ATOM 0 HG1 THR A 94 108.005 4.396 0.518 1.00 0.00 H new ATOM 0 HG21 THR A 94 105.924 3.645 0.068 1.00 0.00 H new ATOM 0 HG22 THR A 94 105.424 2.189 0.961 1.00 0.00 H new ATOM 0 HG23 THR A 94 105.971 3.633 1.847 1.00 0.00 H new ATOM 1440 N PHE A 95 109.018 2.820 3.908 1.00 0.00 N ATOM 1441 CA PHE A 95 109.109 3.670 5.137 1.00 0.00 C ATOM 1442 C PHE A 95 110.059 4.846 4.890 1.00 0.00 C ATOM 1443 O PHE A 95 111.098 4.694 4.279 1.00 0.00 O ATOM 1444 CB PHE A 95 109.651 2.819 6.288 1.00 0.00 C ATOM 1445 CG PHE A 95 108.736 1.637 6.514 1.00 0.00 C ATOM 1446 CD1 PHE A 95 108.885 0.480 5.740 1.00 0.00 C ATOM 1447 CD2 PHE A 95 107.743 1.699 7.496 1.00 0.00 C ATOM 1448 CE1 PHE A 95 108.038 -0.615 5.949 1.00 0.00 C ATOM 1449 CE2 PHE A 95 106.896 0.603 7.707 1.00 0.00 C ATOM 1450 CZ PHE A 95 107.043 -0.554 6.932 1.00 0.00 C ATOM 0 H PHE A 95 109.912 2.501 3.534 1.00 0.00 H new ATOM 0 HA PHE A 95 108.120 4.055 5.386 1.00 0.00 H new ATOM 0 HB2 PHE A 95 110.659 2.474 6.056 1.00 0.00 H new ATOM 0 HB3 PHE A 95 109.720 3.418 7.196 1.00 0.00 H new ATOM 0 HD1 PHE A 95 109.653 0.432 4.982 1.00 0.00 H new ATOM 0 HD2 PHE A 95 107.629 2.592 8.092 1.00 0.00 H new ATOM 0 HE1 PHE A 95 108.152 -1.507 5.351 1.00 0.00 H new ATOM 0 HE2 PHE A 95 106.130 0.651 8.467 1.00 0.00 H new ATOM 0 HZ PHE A 95 106.389 -1.399 7.092 1.00 0.00 H new ATOM 1460 N TYR A 96 109.713 6.017 5.366 1.00 0.00 N ATOM 1461 CA TYR A 96 110.596 7.206 5.164 1.00 0.00 C ATOM 1462 C TYR A 96 110.690 7.994 6.474 1.00 0.00 C ATOM 1463 O TYR A 96 109.748 8.053 7.241 1.00 0.00 O ATOM 1464 CB TYR A 96 110.000 8.126 4.093 1.00 0.00 C ATOM 1465 CG TYR A 96 109.764 7.365 2.812 1.00 0.00 C ATOM 1466 CD1 TYR A 96 110.793 7.231 1.873 1.00 0.00 C ATOM 1467 CD2 TYR A 96 108.506 6.805 2.557 1.00 0.00 C ATOM 1468 CE1 TYR A 96 110.564 6.536 0.679 1.00 0.00 C ATOM 1469 CE2 TYR A 96 108.277 6.112 1.363 1.00 0.00 C ATOM 1470 CZ TYR A 96 109.306 5.977 0.425 1.00 0.00 C ATOM 1471 OH TYR A 96 109.079 5.293 -0.753 1.00 0.00 O ATOM 0 H TYR A 96 108.855 6.200 5.887 1.00 0.00 H new ATOM 0 HA TYR A 96 111.582 6.863 4.851 1.00 0.00 H new ATOM 0 HB2 TYR A 96 109.061 8.548 4.450 1.00 0.00 H new ATOM 0 HB3 TYR A 96 110.675 8.962 3.907 1.00 0.00 H new ATOM 0 HD1 TYR A 96 111.763 7.663 2.069 1.00 0.00 H new ATOM 0 HD2 TYR A 96 107.712 6.908 3.282 1.00 0.00 H new ATOM 0 HE1 TYR A 96 111.358 6.431 -0.046 1.00 0.00 H new ATOM 0 HE2 TYR A 96 107.306 5.682 1.166 1.00 0.00 H new ATOM 0 HH TYR A 96 109.179 4.331 -0.597 1.00 0.00 H new ATOM 1481 N SER A 97 111.810 8.612 6.734 1.00 0.00 N ATOM 1482 CA SER A 97 111.957 9.405 7.986 1.00 0.00 C ATOM 1483 C SER A 97 112.990 10.515 7.761 1.00 0.00 C ATOM 1484 O SER A 97 113.886 10.387 6.949 1.00 0.00 O ATOM 1485 CB SER A 97 112.428 8.494 9.124 1.00 0.00 C ATOM 1486 OG SER A 97 112.702 9.283 10.274 1.00 0.00 O ATOM 0 H SER A 97 112.632 8.601 6.130 1.00 0.00 H new ATOM 0 HA SER A 97 110.996 9.844 8.252 1.00 0.00 H new ATOM 0 HB2 SER A 97 111.663 7.752 9.352 1.00 0.00 H new ATOM 0 HB3 SER A 97 113.322 7.948 8.822 1.00 0.00 H new ATOM 0 HG SER A 97 112.030 9.992 10.352 1.00 0.00 H new ATOM 1492 N ARG A 98 112.875 11.602 8.479 1.00 0.00 N ATOM 1493 CA ARG A 98 113.851 12.722 8.321 1.00 0.00 C ATOM 1494 C ARG A 98 114.778 12.780 9.539 1.00 0.00 C ATOM 1495 O ARG A 98 114.358 12.600 10.671 1.00 0.00 O ATOM 1496 CB ARG A 98 113.102 14.052 8.185 1.00 0.00 C ATOM 1497 CG ARG A 98 112.654 14.260 6.736 1.00 0.00 C ATOM 1498 CD ARG A 98 111.793 15.523 6.638 1.00 0.00 C ATOM 1499 NE ARG A 98 111.999 16.157 5.295 1.00 0.00 N ATOM 1500 CZ ARG A 98 113.166 16.614 4.939 1.00 0.00 C ATOM 1501 NH1 ARG A 98 114.142 16.667 5.803 1.00 0.00 N ATOM 1502 NH2 ARG A 98 113.347 17.054 3.723 1.00 0.00 N ATOM 0 H ARG A 98 112.144 11.763 9.171 1.00 0.00 H new ATOM 0 HA ARG A 98 114.444 12.549 7.423 1.00 0.00 H new ATOM 0 HB2 ARG A 98 112.235 14.059 8.846 1.00 0.00 H new ATOM 0 HB3 ARG A 98 113.747 14.874 8.496 1.00 0.00 H new ATOM 0 HG2 ARG A 98 113.524 14.350 6.086 1.00 0.00 H new ATOM 0 HG3 ARG A 98 112.087 13.394 6.393 1.00 0.00 H new ATOM 0 HD2 ARG A 98 110.741 15.272 6.778 1.00 0.00 H new ATOM 0 HD3 ARG A 98 112.062 16.223 7.429 1.00 0.00 H new ATOM 0 HE ARG A 98 111.213 16.232 4.650 1.00 0.00 H new ATOM 0 HH11 ARG A 98 113.993 16.350 6.761 1.00 0.00 H new ATOM 0 HH12 ARG A 98 115.054 17.025 5.521 1.00 0.00 H new ATOM 0 HH21 ARG A 98 112.576 17.039 3.055 1.00 0.00 H new ATOM 0 HH22 ARG A 98 114.259 17.412 3.441 1.00 0.00 H new ATOM 1516 N LEU A 99 116.038 13.023 9.301 1.00 0.00 N ATOM 1517 CA LEU A 99 117.016 13.091 10.423 1.00 0.00 C ATOM 1518 C LEU A 99 117.201 14.550 10.866 1.00 0.00 C ATOM 1519 O LEU A 99 117.254 15.440 10.041 1.00 0.00 O ATOM 1520 CB LEU A 99 118.374 12.554 9.963 1.00 0.00 C ATOM 1521 CG LEU A 99 118.222 11.141 9.405 1.00 0.00 C ATOM 1522 CD1 LEU A 99 119.608 10.558 9.130 1.00 0.00 C ATOM 1523 CD2 LEU A 99 117.497 10.258 10.422 1.00 0.00 C ATOM 0 H LEU A 99 116.433 13.178 8.374 1.00 0.00 H new ATOM 0 HA LEU A 99 116.636 12.492 11.251 1.00 0.00 H new ATOM 0 HB2 LEU A 99 118.793 13.211 9.201 1.00 0.00 H new ATOM 0 HB3 LEU A 99 119.073 12.549 10.799 1.00 0.00 H new ATOM 0 HG LEU A 99 117.644 11.177 8.482 1.00 0.00 H new ATOM 0 HD11 LEU A 99 119.506 9.549 8.731 1.00 0.00 H new ATOM 0 HD12 LEU A 99 120.129 11.184 8.405 1.00 0.00 H new ATOM 0 HD13 LEU A 99 120.180 10.525 10.058 1.00 0.00 H new ATOM 0 HD21 LEU A 99 117.391 9.251 10.019 1.00 0.00 H new ATOM 0 HD22 LEU A 99 118.073 10.220 11.347 1.00 0.00 H new ATOM 0 HD23 LEU A 99 116.510 10.673 10.626 1.00 0.00 H new ATOM 1535 N PRO A 100 117.331 14.807 12.149 1.00 0.00 N ATOM 1536 CA PRO A 100 117.549 16.188 12.656 1.00 0.00 C ATOM 1537 C PRO A 100 118.619 16.915 11.837 1.00 0.00 C ATOM 1538 O PRO A 100 119.176 16.366 10.908 1.00 0.00 O ATOM 1539 CB PRO A 100 118.028 15.977 14.093 1.00 0.00 C ATOM 1540 CG PRO A 100 117.446 14.672 14.516 1.00 0.00 C ATOM 1541 CD PRO A 100 117.281 13.828 13.250 1.00 0.00 C ATOM 0 HA PRO A 100 116.651 16.802 12.590 1.00 0.00 H new ATOM 0 HB2 PRO A 100 119.117 15.957 14.145 1.00 0.00 H new ATOM 0 HB3 PRO A 100 117.692 16.786 14.742 1.00 0.00 H new ATOM 0 HG2 PRO A 100 118.099 14.172 15.231 1.00 0.00 H new ATOM 0 HG3 PRO A 100 116.486 14.819 15.010 1.00 0.00 H new ATOM 0 HD2 PRO A 100 118.075 13.087 13.160 1.00 0.00 H new ATOM 0 HD3 PRO A 100 116.337 13.284 13.255 1.00 0.00 H new ATOM 1549 N SER A 101 118.909 18.140 12.165 1.00 0.00 N ATOM 1550 CA SER A 101 119.942 18.885 11.394 1.00 0.00 C ATOM 1551 C SER A 101 121.332 18.589 11.960 1.00 0.00 C ATOM 1552 O SER A 101 122.334 18.892 11.346 1.00 0.00 O ATOM 1553 CB SER A 101 119.664 20.383 11.487 1.00 0.00 C ATOM 1554 OG SER A 101 118.428 20.672 10.849 1.00 0.00 O ATOM 0 H SER A 101 118.478 18.658 12.931 1.00 0.00 H new ATOM 0 HA SER A 101 119.906 18.569 10.351 1.00 0.00 H new ATOM 0 HB2 SER A 101 119.629 20.694 12.531 1.00 0.00 H new ATOM 0 HB3 SER A 101 120.470 20.944 11.014 1.00 0.00 H new ATOM 0 HG SER A 101 118.246 21.633 10.909 1.00 0.00 H new ATOM 1560 N LEU A 102 121.402 18.014 13.132 1.00 0.00 N ATOM 1561 CA LEU A 102 122.732 17.715 13.750 1.00 0.00 C ATOM 1562 C LEU A 102 122.872 16.213 14.018 1.00 0.00 C ATOM 1563 O LEU A 102 122.013 15.594 14.614 1.00 0.00 O ATOM 1564 CB LEU A 102 122.844 18.480 15.070 1.00 0.00 C ATOM 1565 CG LEU A 102 124.186 18.174 15.737 1.00 0.00 C ATOM 1566 CD1 LEU A 102 125.330 18.555 14.794 1.00 0.00 C ATOM 1567 CD2 LEU A 102 124.301 18.984 17.030 1.00 0.00 C ATOM 0 H LEU A 102 120.595 17.737 13.691 1.00 0.00 H new ATOM 0 HA LEU A 102 123.524 18.022 13.067 1.00 0.00 H new ATOM 0 HB2 LEU A 102 122.754 19.551 14.888 1.00 0.00 H new ATOM 0 HB3 LEU A 102 122.026 18.199 15.733 1.00 0.00 H new ATOM 0 HG LEU A 102 124.246 17.109 15.962 1.00 0.00 H new ATOM 0 HD11 LEU A 102 126.284 18.336 15.273 1.00 0.00 H new ATOM 0 HD12 LEU A 102 125.247 17.982 13.871 1.00 0.00 H new ATOM 0 HD13 LEU A 102 125.275 19.619 14.566 1.00 0.00 H new ATOM 0 HD21 LEU A 102 125.256 18.770 17.510 1.00 0.00 H new ATOM 0 HD22 LEU A 102 124.241 20.048 16.800 1.00 0.00 H new ATOM 0 HD23 LEU A 102 123.488 18.712 17.703 1.00 0.00 H new ATOM 1579 N ILE A 103 123.965 15.628 13.596 1.00 0.00 N ATOM 1580 CA ILE A 103 124.185 14.173 13.841 1.00 0.00 C ATOM 1581 C ILE A 103 125.690 13.920 13.954 1.00 0.00 C ATOM 1582 O ILE A 103 126.393 13.881 12.964 1.00 0.00 O ATOM 1583 CB ILE A 103 123.622 13.351 12.677 1.00 0.00 C ATOM 1584 CG1 ILE A 103 122.271 13.925 12.250 1.00 0.00 C ATOM 1585 CG2 ILE A 103 123.436 11.898 13.121 1.00 0.00 C ATOM 1586 CD1 ILE A 103 121.693 13.080 11.117 1.00 0.00 C ATOM 0 H ILE A 103 124.716 16.099 13.091 1.00 0.00 H new ATOM 0 HA ILE A 103 123.679 13.877 14.760 1.00 0.00 H new ATOM 0 HB ILE A 103 124.317 13.392 11.838 1.00 0.00 H new ATOM 0 HG12 ILE A 103 121.585 13.935 13.097 1.00 0.00 H new ATOM 0 HG13 ILE A 103 122.390 14.958 11.923 1.00 0.00 H new ATOM 0 HG21 ILE A 103 123.035 11.313 12.293 1.00 0.00 H new ATOM 0 HG22 ILE A 103 124.398 11.485 13.426 1.00 0.00 H new ATOM 0 HG23 ILE A 103 122.742 11.860 13.961 1.00 0.00 H new ATOM 0 HD11 ILE A 103 120.730 13.489 10.813 1.00 0.00 H new ATOM 0 HD12 ILE A 103 122.377 13.092 10.268 1.00 0.00 H new ATOM 0 HD13 ILE A 103 121.559 12.054 11.460 1.00 0.00 H new ATOM 1598 N SER A 104 126.195 13.757 15.150 1.00 0.00 N ATOM 1599 CA SER A 104 127.660 13.516 15.323 1.00 0.00 C ATOM 1600 C SER A 104 127.889 12.120 15.907 1.00 0.00 C ATOM 1601 O SER A 104 129.010 11.709 16.129 1.00 0.00 O ATOM 1602 CB SER A 104 128.235 14.565 16.274 1.00 0.00 C ATOM 1603 OG SER A 104 127.598 14.452 17.541 1.00 0.00 O ATOM 0 H SER A 104 125.656 13.780 16.015 1.00 0.00 H new ATOM 0 HA SER A 104 128.155 13.586 14.355 1.00 0.00 H new ATOM 0 HB2 SER A 104 129.311 14.424 16.381 1.00 0.00 H new ATOM 0 HB3 SER A 104 128.083 15.564 15.866 1.00 0.00 H new ATOM 0 HG SER A 104 127.966 15.123 18.153 1.00 0.00 H new ATOM 1609 N ASP A 105 126.839 11.393 16.167 1.00 0.00 N ATOM 1610 CA ASP A 105 127.001 10.028 16.745 1.00 0.00 C ATOM 1611 C ASP A 105 127.179 9.001 15.625 1.00 0.00 C ATOM 1612 O ASP A 105 126.792 9.223 14.497 1.00 0.00 O ATOM 1613 CB ASP A 105 125.763 9.676 17.570 1.00 0.00 C ATOM 1614 CG ASP A 105 125.947 8.298 18.209 1.00 0.00 C ATOM 1615 OD1 ASP A 105 127.065 7.812 18.209 1.00 0.00 O ATOM 1616 OD2 ASP A 105 124.964 7.750 18.680 1.00 0.00 O ATOM 0 H ASP A 105 125.875 11.684 16.005 1.00 0.00 H new ATOM 0 HA ASP A 105 127.884 10.013 17.384 1.00 0.00 H new ATOM 0 HB2 ASP A 105 125.603 10.428 18.343 1.00 0.00 H new ATOM 0 HB3 ASP A 105 124.877 9.678 16.935 1.00 0.00 H new ATOM 1621 N ASN A 106 127.758 7.873 15.937 1.00 0.00 N ATOM 1622 CA ASN A 106 127.962 6.812 14.906 1.00 0.00 C ATOM 1623 C ASN A 106 126.863 5.757 15.050 1.00 0.00 C ATOM 1624 O ASN A 106 127.080 4.585 14.819 1.00 0.00 O ATOM 1625 CB ASN A 106 129.325 6.147 15.113 1.00 0.00 C ATOM 1626 CG ASN A 106 130.442 7.151 14.824 1.00 0.00 C ATOM 1627 OD1 ASN A 106 130.298 8.013 13.980 1.00 0.00 O ATOM 1628 ND2 ASN A 106 131.558 7.074 15.496 1.00 0.00 N ATOM 0 H ASN A 106 128.101 7.638 16.868 1.00 0.00 H new ATOM 0 HA ASN A 106 127.923 7.259 13.912 1.00 0.00 H new ATOM 0 HB2 ASN A 106 129.409 5.780 16.136 1.00 0.00 H new ATOM 0 HB3 ASN A 106 129.422 5.283 14.456 1.00 0.00 H new ATOM 0 HD21 ASN A 106 132.310 7.738 15.313 1.00 0.00 H new ATOM 0 HD22 ASN A 106 131.678 6.350 16.204 1.00 0.00 H new ATOM 1635 N TRP A 107 125.692 6.158 15.459 1.00 0.00 N ATOM 1636 CA TRP A 107 124.589 5.172 15.651 1.00 0.00 C ATOM 1637 C TRP A 107 124.175 4.563 14.310 1.00 0.00 C ATOM 1638 O TRP A 107 124.392 5.131 13.256 1.00 0.00 O ATOM 1639 CB TRP A 107 123.382 5.866 16.290 1.00 0.00 C ATOM 1640 CG TRP A 107 122.788 6.850 15.329 1.00 0.00 C ATOM 1641 CD1 TRP A 107 123.390 7.985 14.906 1.00 0.00 C ATOM 1642 CD2 TRP A 107 121.486 6.816 14.678 1.00 0.00 C ATOM 1643 NE1 TRP A 107 122.548 8.645 14.036 1.00 0.00 N ATOM 1644 CE2 TRP A 107 121.359 7.966 13.861 1.00 0.00 C ATOM 1645 CE3 TRP A 107 120.413 5.908 14.714 1.00 0.00 C ATOM 1646 CZ2 TRP A 107 120.211 8.206 13.109 1.00 0.00 C ATOM 1647 CZ3 TRP A 107 119.255 6.148 13.959 1.00 0.00 C ATOM 1648 CH2 TRP A 107 119.154 7.292 13.160 1.00 0.00 C ATOM 0 H TRP A 107 125.450 7.126 15.669 1.00 0.00 H new ATOM 0 HA TRP A 107 124.944 4.376 16.305 1.00 0.00 H new ATOM 0 HB2 TRP A 107 122.634 5.125 16.573 1.00 0.00 H new ATOM 0 HB3 TRP A 107 123.687 6.376 17.204 1.00 0.00 H new ATOM 0 HD1 TRP A 107 124.373 8.321 15.202 1.00 0.00 H new ATOM 0 HE1 TRP A 107 122.776 9.527 13.578 1.00 0.00 H new ATOM 0 HE3 TRP A 107 120.481 5.021 15.326 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 120.138 9.090 12.492 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 118.436 5.445 13.995 1.00 0.00 H new ATOM 0 HH2 TRP A 107 118.259 7.469 12.582 1.00 0.00 H new ATOM 1659 N LYS A 108 123.581 3.401 14.354 1.00 0.00 N ATOM 1660 CA LYS A 108 123.141 2.720 13.106 1.00 0.00 C ATOM 1661 C LYS A 108 121.859 1.938 13.390 1.00 0.00 C ATOM 1662 O LYS A 108 121.575 1.591 14.520 1.00 0.00 O ATOM 1663 CB LYS A 108 124.238 1.757 12.638 1.00 0.00 C ATOM 1664 CG LYS A 108 124.581 0.784 13.768 1.00 0.00 C ATOM 1665 CD LYS A 108 125.750 -0.104 13.339 1.00 0.00 C ATOM 1666 CE LYS A 108 126.131 -1.042 14.488 1.00 0.00 C ATOM 1667 NZ LYS A 108 124.978 -1.926 14.812 1.00 0.00 N ATOM 0 H LYS A 108 123.380 2.890 15.213 1.00 0.00 H new ATOM 0 HA LYS A 108 122.954 3.459 12.327 1.00 0.00 H new ATOM 0 HB2 LYS A 108 123.902 1.206 11.759 1.00 0.00 H new ATOM 0 HB3 LYS A 108 125.126 2.316 12.344 1.00 0.00 H new ATOM 0 HG2 LYS A 108 124.842 1.336 14.671 1.00 0.00 H new ATOM 0 HG3 LYS A 108 123.713 0.170 14.009 1.00 0.00 H new ATOM 0 HD2 LYS A 108 125.475 -0.684 12.458 1.00 0.00 H new ATOM 0 HD3 LYS A 108 126.605 0.512 13.060 1.00 0.00 H new ATOM 0 HE2 LYS A 108 126.996 -1.643 14.209 1.00 0.00 H new ATOM 0 HE3 LYS A 108 126.416 -0.462 15.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 125.282 -2.661 15.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 124.217 -1.361 15.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 124.629 -2.375 13.941 1.00 0.00 H new ATOM 1681 N PHE A 109 121.086 1.644 12.378 1.00 0.00 N ATOM 1682 CA PHE A 109 119.830 0.869 12.611 1.00 0.00 C ATOM 1683 C PHE A 109 119.448 0.151 11.314 1.00 0.00 C ATOM 1684 O PHE A 109 119.952 0.469 10.254 1.00 0.00 O ATOM 1685 CB PHE A 109 118.708 1.816 13.046 1.00 0.00 C ATOM 1686 CG PHE A 109 118.269 2.671 11.883 1.00 0.00 C ATOM 1687 CD1 PHE A 109 117.244 2.225 11.039 1.00 0.00 C ATOM 1688 CD2 PHE A 109 118.875 3.911 11.653 1.00 0.00 C ATOM 1689 CE1 PHE A 109 116.826 3.019 9.967 1.00 0.00 C ATOM 1690 CE2 PHE A 109 118.458 4.705 10.579 1.00 0.00 C ATOM 1691 CZ PHE A 109 117.432 4.259 9.736 1.00 0.00 C ATOM 0 H PHE A 109 121.267 1.904 11.408 1.00 0.00 H new ATOM 0 HA PHE A 109 119.986 0.135 13.401 1.00 0.00 H new ATOM 0 HB2 PHE A 109 117.863 1.241 13.424 1.00 0.00 H new ATOM 0 HB3 PHE A 109 119.053 2.450 13.863 1.00 0.00 H new ATOM 0 HD1 PHE A 109 116.777 1.268 11.216 1.00 0.00 H new ATOM 0 HD2 PHE A 109 119.665 4.255 12.304 1.00 0.00 H new ATOM 0 HE1 PHE A 109 116.035 2.675 9.317 1.00 0.00 H new ATOM 0 HE2 PHE A 109 118.927 5.661 10.400 1.00 0.00 H new ATOM 0 HZ PHE A 109 117.109 4.872 8.908 1.00 0.00 H new ATOM 1701 N PHE A 110 118.583 -0.828 11.378 1.00 0.00 N ATOM 1702 CA PHE A 110 118.218 -1.555 10.129 1.00 0.00 C ATOM 1703 C PHE A 110 116.816 -2.173 10.216 1.00 0.00 C ATOM 1704 O PHE A 110 116.254 -2.348 11.277 1.00 0.00 O ATOM 1705 CB PHE A 110 119.247 -2.665 9.888 1.00 0.00 C ATOM 1706 CG PHE A 110 119.508 -3.407 11.177 1.00 0.00 C ATOM 1707 CD1 PHE A 110 120.485 -2.940 12.064 1.00 0.00 C ATOM 1708 CD2 PHE A 110 118.776 -4.558 11.484 1.00 0.00 C ATOM 1709 CE1 PHE A 110 120.732 -3.627 13.257 1.00 0.00 C ATOM 1710 CE2 PHE A 110 119.023 -5.246 12.680 1.00 0.00 C ATOM 1711 CZ PHE A 110 120.002 -4.780 13.565 1.00 0.00 C ATOM 0 H PHE A 110 118.120 -1.151 12.228 1.00 0.00 H new ATOM 0 HA PHE A 110 118.215 -0.841 9.305 1.00 0.00 H new ATOM 0 HB2 PHE A 110 118.880 -3.355 9.128 1.00 0.00 H new ATOM 0 HB3 PHE A 110 120.175 -2.237 9.509 1.00 0.00 H new ATOM 0 HD1 PHE A 110 121.048 -2.049 11.827 1.00 0.00 H new ATOM 0 HD2 PHE A 110 118.021 -4.917 10.800 1.00 0.00 H new ATOM 0 HE1 PHE A 110 121.487 -3.267 13.941 1.00 0.00 H new ATOM 0 HE2 PHE A 110 118.458 -6.135 12.918 1.00 0.00 H new ATOM 0 HZ PHE A 110 120.194 -5.311 14.486 1.00 0.00 H new ATOM 1721 N CYS A 111 116.272 -2.526 9.081 1.00 0.00 N ATOM 1722 CA CYS A 111 114.923 -3.168 9.028 1.00 0.00 C ATOM 1723 C CYS A 111 115.050 -4.455 8.211 1.00 0.00 C ATOM 1724 O CYS A 111 115.987 -4.613 7.455 1.00 0.00 O ATOM 1725 CB CYS A 111 113.918 -2.231 8.353 1.00 0.00 C ATOM 1726 SG CYS A 111 113.602 -0.802 9.421 1.00 0.00 S ATOM 0 H CYS A 111 116.714 -2.394 8.171 1.00 0.00 H new ATOM 0 HA CYS A 111 114.570 -3.383 10.037 1.00 0.00 H new ATOM 0 HB2 CYS A 111 114.306 -1.899 7.390 1.00 0.00 H new ATOM 0 HB3 CYS A 111 112.987 -2.762 8.155 1.00 0.00 H new ATOM 1731 N VAL A 112 114.145 -5.387 8.364 1.00 0.00 N ATOM 1732 CA VAL A 112 114.267 -6.670 7.600 1.00 0.00 C ATOM 1733 C VAL A 112 112.960 -7.038 6.891 1.00 0.00 C ATOM 1734 O VAL A 112 111.874 -6.857 7.406 1.00 0.00 O ATOM 1735 CB VAL A 112 114.648 -7.793 8.563 1.00 0.00 C ATOM 1736 CG1 VAL A 112 114.475 -9.144 7.864 1.00 0.00 C ATOM 1737 CG2 VAL A 112 116.107 -7.625 8.987 1.00 0.00 C ATOM 0 H VAL A 112 113.333 -5.319 8.978 1.00 0.00 H new ATOM 0 HA VAL A 112 115.036 -6.536 6.839 1.00 0.00 H new ATOM 0 HB VAL A 112 114.005 -7.752 9.442 1.00 0.00 H new ATOM 0 HG11 VAL A 112 114.747 -9.946 8.550 1.00 0.00 H new ATOM 0 HG12 VAL A 112 113.436 -9.265 7.558 1.00 0.00 H new ATOM 0 HG13 VAL A 112 115.119 -9.184 6.986 1.00 0.00 H new ATOM 0 HG21 VAL A 112 116.381 -8.426 9.674 1.00 0.00 H new ATOM 0 HG22 VAL A 112 116.749 -7.667 8.107 1.00 0.00 H new ATOM 0 HG23 VAL A 112 116.233 -6.662 9.483 1.00 0.00 H new ATOM 1747 N CYS A 113 113.079 -7.599 5.712 1.00 0.00 N ATOM 1748 CA CYS A 113 111.888 -8.053 4.938 1.00 0.00 C ATOM 1749 C CYS A 113 112.108 -9.534 4.614 1.00 0.00 C ATOM 1750 O CYS A 113 113.181 -9.917 4.191 1.00 0.00 O ATOM 1751 CB CYS A 113 111.776 -7.256 3.636 1.00 0.00 C ATOM 1752 SG CYS A 113 111.390 -5.527 4.003 1.00 0.00 S ATOM 0 H CYS A 113 113.972 -7.763 5.247 1.00 0.00 H new ATOM 0 HA CYS A 113 110.972 -7.904 5.510 1.00 0.00 H new ATOM 0 HB2 CYS A 113 112.711 -7.319 3.080 1.00 0.00 H new ATOM 0 HB3 CYS A 113 110.999 -7.685 3.003 1.00 0.00 H new ATOM 1757 N SER A 114 111.136 -10.387 4.819 1.00 0.00 N ATOM 1758 CA SER A 114 111.379 -11.829 4.526 1.00 0.00 C ATOM 1759 C SER A 114 110.088 -12.651 4.619 1.00 0.00 C ATOM 1760 O SER A 114 109.025 -12.150 4.932 1.00 0.00 O ATOM 1761 CB SER A 114 112.378 -12.376 5.543 1.00 0.00 C ATOM 1762 OG SER A 114 111.770 -12.394 6.828 1.00 0.00 O ATOM 0 H SER A 114 110.206 -10.154 5.168 1.00 0.00 H new ATOM 0 HA SER A 114 111.765 -11.909 3.510 1.00 0.00 H new ATOM 0 HB2 SER A 114 112.690 -13.381 5.260 1.00 0.00 H new ATOM 0 HB3 SER A 114 113.275 -11.757 5.560 1.00 0.00 H new ATOM 0 HG SER A 114 112.406 -12.746 7.486 1.00 0.00 H new ATOM 1768 N LYS A 115 110.207 -13.927 4.359 1.00 0.00 N ATOM 1769 CA LYS A 115 109.046 -14.857 4.442 1.00 0.00 C ATOM 1770 C LYS A 115 109.584 -16.254 4.753 1.00 0.00 C ATOM 1771 O LYS A 115 110.766 -16.507 4.638 1.00 0.00 O ATOM 1772 CB LYS A 115 108.281 -14.902 3.116 1.00 0.00 C ATOM 1773 CG LYS A 115 107.407 -13.654 2.965 1.00 0.00 C ATOM 1774 CD LYS A 115 106.346 -13.912 1.890 1.00 0.00 C ATOM 1775 CE LYS A 115 107.017 -14.420 0.611 1.00 0.00 C ATOM 1776 NZ LYS A 115 107.151 -15.903 0.678 1.00 0.00 N ATOM 0 H LYS A 115 111.083 -14.372 4.086 1.00 0.00 H new ATOM 0 HA LYS A 115 108.363 -14.512 5.218 1.00 0.00 H new ATOM 0 HB2 LYS A 115 108.983 -14.965 2.285 1.00 0.00 H new ATOM 0 HB3 LYS A 115 107.660 -15.797 3.077 1.00 0.00 H new ATOM 0 HG2 LYS A 115 106.929 -13.412 3.914 1.00 0.00 H new ATOM 0 HG3 LYS A 115 108.021 -12.796 2.690 1.00 0.00 H new ATOM 0 HD2 LYS A 115 105.623 -14.645 2.248 1.00 0.00 H new ATOM 0 HD3 LYS A 115 105.794 -12.995 1.683 1.00 0.00 H new ATOM 0 HE2 LYS A 115 106.426 -14.136 -0.260 1.00 0.00 H new ATOM 0 HE3 LYS A 115 107.998 -13.960 0.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 107.591 -16.252 -0.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 107.745 -16.161 1.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 106.210 -16.332 0.787 1.00 0.00 H new ATOM 1790 N ASP A 116 108.740 -17.167 5.139 1.00 0.00 N ATOM 1791 CA ASP A 116 109.232 -18.540 5.443 1.00 0.00 C ATOM 1792 C ASP A 116 109.917 -19.119 4.198 1.00 0.00 C ATOM 1793 O ASP A 116 109.585 -18.774 3.081 1.00 0.00 O ATOM 1794 CB ASP A 116 108.054 -19.431 5.844 1.00 0.00 C ATOM 1795 CG ASP A 116 107.624 -19.091 7.274 1.00 0.00 C ATOM 1796 OD1 ASP A 116 108.391 -18.439 7.963 1.00 0.00 O ATOM 1797 OD2 ASP A 116 106.536 -19.489 7.655 1.00 0.00 O ATOM 0 H ASP A 116 107.737 -17.025 5.257 1.00 0.00 H new ATOM 0 HA ASP A 116 109.946 -18.499 6.266 1.00 0.00 H new ATOM 0 HB2 ASP A 116 107.221 -19.283 5.157 1.00 0.00 H new ATOM 0 HB3 ASP A 116 108.339 -20.481 5.778 1.00 0.00 H new ATOM 1802 N ASN A 117 110.864 -19.999 4.381 1.00 0.00 N ATOM 1803 CA ASN A 117 111.561 -20.602 3.203 1.00 0.00 C ATOM 1804 C ASN A 117 111.906 -19.505 2.191 1.00 0.00 C ATOM 1805 O ASN A 117 111.457 -19.537 1.064 1.00 0.00 O ATOM 1806 CB ASN A 117 110.646 -21.632 2.538 1.00 0.00 C ATOM 1807 CG ASN A 117 111.464 -22.512 1.592 1.00 0.00 C ATOM 1808 OD1 ASN A 117 112.598 -22.841 1.880 1.00 0.00 O ATOM 1809 ND2 ASN A 117 110.935 -22.909 0.467 1.00 0.00 N ATOM 0 H ASN A 117 111.186 -20.327 5.291 1.00 0.00 H new ATOM 0 HA ASN A 117 112.477 -21.089 3.539 1.00 0.00 H new ATOM 0 HB2 ASN A 117 110.163 -22.248 3.297 1.00 0.00 H new ATOM 0 HB3 ASN A 117 109.854 -21.126 1.986 1.00 0.00 H new ATOM 0 HD21 ASN A 117 111.473 -23.496 -0.171 1.00 0.00 H new ATOM 0 HD22 ASN A 117 109.983 -22.633 0.225 1.00 0.00 H new ATOM 1816 N GLU A 118 112.708 -18.542 2.576 1.00 0.00 N ATOM 1817 CA GLU A 118 113.073 -17.449 1.624 1.00 0.00 C ATOM 1818 C GLU A 118 114.287 -16.673 2.147 1.00 0.00 C ATOM 1819 O GLU A 118 114.448 -16.483 3.336 1.00 0.00 O ATOM 1820 CB GLU A 118 111.895 -16.476 1.485 1.00 0.00 C ATOM 1821 CG GLU A 118 110.813 -17.064 0.573 1.00 0.00 C ATOM 1822 CD GLU A 118 109.944 -15.937 0.019 1.00 0.00 C ATOM 1823 OE1 GLU A 118 110.213 -14.793 0.344 1.00 0.00 O ATOM 1824 OE2 GLU A 118 109.026 -16.238 -0.724 1.00 0.00 O ATOM 0 H GLU A 118 113.124 -18.466 3.504 1.00 0.00 H new ATOM 0 HA GLU A 118 113.312 -17.894 0.658 1.00 0.00 H new ATOM 0 HB2 GLU A 118 111.474 -16.264 2.468 1.00 0.00 H new ATOM 0 HB3 GLU A 118 112.246 -15.528 1.077 1.00 0.00 H new ATOM 0 HG2 GLU A 118 111.274 -17.618 -0.245 1.00 0.00 H new ATOM 0 HG3 GLU A 118 110.198 -17.771 1.130 1.00 0.00 H new ATOM 1831 N LYS A 119 115.139 -16.213 1.264 1.00 0.00 N ATOM 1832 CA LYS A 119 116.339 -15.443 1.708 1.00 0.00 C ATOM 1833 C LYS A 119 115.876 -14.190 2.459 1.00 0.00 C ATOM 1834 O LYS A 119 114.843 -13.624 2.158 1.00 0.00 O ATOM 1835 CB LYS A 119 117.160 -15.027 0.483 1.00 0.00 C ATOM 1836 CG LYS A 119 117.678 -16.275 -0.240 1.00 0.00 C ATOM 1837 CD LYS A 119 118.471 -15.855 -1.480 1.00 0.00 C ATOM 1838 CE LYS A 119 118.854 -17.096 -2.289 1.00 0.00 C ATOM 1839 NZ LYS A 119 119.629 -18.033 -1.430 1.00 0.00 N ATOM 0 H LYS A 119 115.054 -16.338 0.255 1.00 0.00 H new ATOM 0 HA LYS A 119 116.954 -16.061 2.362 1.00 0.00 H new ATOM 0 HB2 LYS A 119 116.546 -14.432 -0.193 1.00 0.00 H new ATOM 0 HB3 LYS A 119 117.997 -14.399 0.790 1.00 0.00 H new ATOM 0 HG2 LYS A 119 118.310 -16.859 0.428 1.00 0.00 H new ATOM 0 HG3 LYS A 119 116.843 -16.914 -0.528 1.00 0.00 H new ATOM 0 HD2 LYS A 119 117.875 -15.178 -2.093 1.00 0.00 H new ATOM 0 HD3 LYS A 119 119.368 -15.311 -1.184 1.00 0.00 H new ATOM 0 HE2 LYS A 119 117.957 -17.589 -2.665 1.00 0.00 H new ATOM 0 HE3 LYS A 119 119.447 -16.808 -3.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 120.115 -18.731 -2.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 120.332 -17.499 -0.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 118.982 -18.524 -0.781 1.00 0.00 H new ATOM 1853 N LYS A 120 116.622 -13.758 3.446 1.00 0.00 N ATOM 1854 CA LYS A 120 116.201 -12.549 4.220 1.00 0.00 C ATOM 1855 C LYS A 120 116.849 -11.291 3.638 1.00 0.00 C ATOM 1856 O LYS A 120 117.994 -11.299 3.228 1.00 0.00 O ATOM 1857 CB LYS A 120 116.609 -12.716 5.686 1.00 0.00 C ATOM 1858 CG LYS A 120 118.129 -12.850 5.789 1.00 0.00 C ATOM 1859 CD LYS A 120 118.493 -13.582 7.085 1.00 0.00 C ATOM 1860 CE LYS A 120 118.409 -15.098 6.864 1.00 0.00 C ATOM 1861 NZ LYS A 120 118.997 -15.805 8.038 1.00 0.00 N ATOM 0 H LYS A 120 117.497 -14.186 3.747 1.00 0.00 H new ATOM 0 HA LYS A 120 115.118 -12.443 4.153 1.00 0.00 H new ATOM 0 HB2 LYS A 120 116.270 -11.858 6.267 1.00 0.00 H new ATOM 0 HB3 LYS A 120 116.128 -13.598 6.109 1.00 0.00 H new ATOM 0 HG2 LYS A 120 118.515 -13.398 4.929 1.00 0.00 H new ATOM 0 HG3 LYS A 120 118.593 -11.864 5.774 1.00 0.00 H new ATOM 0 HD2 LYS A 120 119.499 -13.306 7.400 1.00 0.00 H new ATOM 0 HD3 LYS A 120 117.816 -13.283 7.885 1.00 0.00 H new ATOM 0 HE2 LYS A 120 117.370 -15.399 6.727 1.00 0.00 H new ATOM 0 HE3 LYS A 120 118.943 -15.374 5.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 118.940 -16.833 7.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 119.993 -15.526 8.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 118.469 -15.550 8.897 1.00 0.00 H new ATOM 1875 N LEU A 121 116.120 -10.202 3.602 1.00 0.00 N ATOM 1876 CA LEU A 121 116.684 -8.934 3.053 1.00 0.00 C ATOM 1877 C LEU A 121 116.915 -7.953 4.207 1.00 0.00 C ATOM 1878 O LEU A 121 115.993 -7.607 4.920 1.00 0.00 O ATOM 1879 CB LEU A 121 115.685 -8.324 2.065 1.00 0.00 C ATOM 1880 CG LEU A 121 115.267 -9.375 1.035 1.00 0.00 C ATOM 1881 CD1 LEU A 121 114.249 -8.770 0.067 1.00 0.00 C ATOM 1882 CD2 LEU A 121 116.495 -9.842 0.254 1.00 0.00 C ATOM 0 H LEU A 121 115.156 -10.139 3.931 1.00 0.00 H new ATOM 0 HA LEU A 121 117.626 -9.136 2.543 1.00 0.00 H new ATOM 0 HB2 LEU A 121 114.809 -7.957 2.600 1.00 0.00 H new ATOM 0 HB3 LEU A 121 116.134 -7.467 1.562 1.00 0.00 H new ATOM 0 HG LEU A 121 114.818 -10.224 1.549 1.00 0.00 H new ATOM 0 HD11 LEU A 121 113.953 -9.521 -0.666 1.00 0.00 H new ATOM 0 HD12 LEU A 121 113.371 -8.439 0.622 1.00 0.00 H new ATOM 0 HD13 LEU A 121 114.696 -7.919 -0.446 1.00 0.00 H new ATOM 0 HD21 LEU A 121 116.196 -10.591 -0.480 1.00 0.00 H new ATOM 0 HD22 LEU A 121 116.946 -8.992 -0.258 1.00 0.00 H new ATOM 0 HD23 LEU A 121 117.220 -10.277 0.942 1.00 0.00 H new ATOM 1894 N VAL A 122 118.130 -7.508 4.409 1.00 0.00 N ATOM 1895 CA VAL A 122 118.402 -6.563 5.537 1.00 0.00 C ATOM 1896 C VAL A 122 118.702 -5.157 5.002 1.00 0.00 C ATOM 1897 O VAL A 122 119.524 -4.966 4.132 1.00 0.00 O ATOM 1898 CB VAL A 122 119.614 -7.060 6.334 1.00 0.00 C ATOM 1899 CG1 VAL A 122 120.058 -5.972 7.317 1.00 0.00 C ATOM 1900 CG2 VAL A 122 119.243 -8.335 7.110 1.00 0.00 C ATOM 0 H VAL A 122 118.943 -7.756 3.845 1.00 0.00 H new ATOM 0 HA VAL A 122 117.520 -6.520 6.176 1.00 0.00 H new ATOM 0 HB VAL A 122 120.429 -7.285 5.646 1.00 0.00 H new ATOM 0 HG11 VAL A 122 120.920 -6.324 7.884 1.00 0.00 H new ATOM 0 HG12 VAL A 122 120.330 -5.072 6.765 1.00 0.00 H new ATOM 0 HG13 VAL A 122 119.241 -5.745 8.002 1.00 0.00 H new ATOM 0 HG21 VAL A 122 120.109 -8.683 7.674 1.00 0.00 H new ATOM 0 HG22 VAL A 122 118.426 -8.118 7.797 1.00 0.00 H new ATOM 0 HG23 VAL A 122 118.932 -9.110 6.409 1.00 0.00 H new ATOM 1910 N PHE A 123 118.043 -4.172 5.544 1.00 0.00 N ATOM 1911 CA PHE A 123 118.281 -2.763 5.116 1.00 0.00 C ATOM 1912 C PHE A 123 118.972 -2.038 6.271 1.00 0.00 C ATOM 1913 O PHE A 123 118.462 -2.014 7.366 1.00 0.00 O ATOM 1914 CB PHE A 123 116.934 -2.102 4.805 1.00 0.00 C ATOM 1915 CG PHE A 123 117.073 -0.599 4.836 1.00 0.00 C ATOM 1916 CD1 PHE A 123 117.819 0.056 3.853 1.00 0.00 C ATOM 1917 CD2 PHE A 123 116.443 0.140 5.844 1.00 0.00 C ATOM 1918 CE1 PHE A 123 117.940 1.449 3.878 1.00 0.00 C ATOM 1919 CE2 PHE A 123 116.563 1.534 5.870 1.00 0.00 C ATOM 1920 CZ PHE A 123 117.311 2.189 4.886 1.00 0.00 C ATOM 0 H PHE A 123 117.340 -4.283 6.275 1.00 0.00 H new ATOM 0 HA PHE A 123 118.905 -2.722 4.223 1.00 0.00 H new ATOM 0 HB2 PHE A 123 116.581 -2.422 3.825 1.00 0.00 H new ATOM 0 HB3 PHE A 123 116.187 -2.421 5.532 1.00 0.00 H new ATOM 0 HD1 PHE A 123 118.303 -0.514 3.073 1.00 0.00 H new ATOM 0 HD2 PHE A 123 115.864 -0.366 6.602 1.00 0.00 H new ATOM 0 HE1 PHE A 123 118.519 1.954 3.119 1.00 0.00 H new ATOM 0 HE2 PHE A 123 116.078 2.104 6.649 1.00 0.00 H new ATOM 0 HZ PHE A 123 117.403 3.265 4.904 1.00 0.00 H new ATOM 1930 N THR A 124 120.137 -1.471 6.054 1.00 0.00 N ATOM 1931 CA THR A 124 120.840 -0.786 7.188 1.00 0.00 C ATOM 1932 C THR A 124 121.465 0.550 6.766 1.00 0.00 C ATOM 1933 O THR A 124 121.999 0.705 5.679 1.00 0.00 O ATOM 1934 CB THR A 124 121.938 -1.711 7.720 1.00 0.00 C ATOM 1935 OG1 THR A 124 122.359 -1.256 8.998 1.00 0.00 O ATOM 1936 CG2 THR A 124 123.127 -1.704 6.759 1.00 0.00 C ATOM 0 H THR A 124 120.624 -1.452 5.158 1.00 0.00 H new ATOM 0 HA THR A 124 120.100 -0.572 7.959 1.00 0.00 H new ATOM 0 HB THR A 124 121.548 -2.725 7.803 1.00 0.00 H new ATOM 0 HG1 THR A 124 121.658 -0.697 9.394 1.00 0.00 H new ATOM 0 HG21 THR A 124 123.907 -2.363 7.140 1.00 0.00 H new ATOM 0 HG22 THR A 124 122.804 -2.053 5.778 1.00 0.00 H new ATOM 0 HG23 THR A 124 123.519 -0.691 6.672 1.00 0.00 H new ATOM 1944 N VAL A 125 121.435 1.507 7.659 1.00 0.00 N ATOM 1945 CA VAL A 125 122.051 2.833 7.381 1.00 0.00 C ATOM 1946 C VAL A 125 122.850 3.255 8.619 1.00 0.00 C ATOM 1947 O VAL A 125 122.613 2.768 9.714 1.00 0.00 O ATOM 1948 CB VAL A 125 120.958 3.866 7.081 1.00 0.00 C ATOM 1949 CG1 VAL A 125 119.927 3.259 6.127 1.00 0.00 C ATOM 1950 CG2 VAL A 125 120.265 4.276 8.383 1.00 0.00 C ATOM 0 H VAL A 125 121.004 1.421 8.579 1.00 0.00 H new ATOM 0 HA VAL A 125 122.708 2.770 6.514 1.00 0.00 H new ATOM 0 HB VAL A 125 121.410 4.743 6.619 1.00 0.00 H new ATOM 0 HG11 VAL A 125 119.151 3.994 5.915 1.00 0.00 H new ATOM 0 HG12 VAL A 125 120.417 2.970 5.197 1.00 0.00 H new ATOM 0 HG13 VAL A 125 119.478 2.380 6.589 1.00 0.00 H new ATOM 0 HG21 VAL A 125 119.489 5.010 8.167 1.00 0.00 H new ATOM 0 HG22 VAL A 125 119.815 3.399 8.848 1.00 0.00 H new ATOM 0 HG23 VAL A 125 120.997 4.712 9.063 1.00 0.00 H new ATOM 1960 N GLU A 126 123.796 4.147 8.467 1.00 0.00 N ATOM 1961 CA GLU A 126 124.605 4.579 9.647 1.00 0.00 C ATOM 1962 C GLU A 126 124.793 6.098 9.634 1.00 0.00 C ATOM 1963 O GLU A 126 124.760 6.734 8.599 1.00 0.00 O ATOM 1964 CB GLU A 126 125.977 3.900 9.594 1.00 0.00 C ATOM 1965 CG GLU A 126 126.726 4.356 8.340 1.00 0.00 C ATOM 1966 CD GLU A 126 128.073 3.638 8.257 1.00 0.00 C ATOM 1967 OE1 GLU A 126 128.113 2.457 8.560 1.00 0.00 O ATOM 1968 OE2 GLU A 126 129.043 4.281 7.894 1.00 0.00 O ATOM 0 H GLU A 126 124.042 4.592 7.583 1.00 0.00 H new ATOM 0 HA GLU A 126 124.082 4.294 10.560 1.00 0.00 H new ATOM 0 HB2 GLU A 126 126.553 4.150 10.485 1.00 0.00 H new ATOM 0 HB3 GLU A 126 125.858 2.817 9.585 1.00 0.00 H new ATOM 0 HG2 GLU A 126 126.133 4.141 7.451 1.00 0.00 H new ATOM 0 HG3 GLU A 126 126.879 5.435 8.368 1.00 0.00 H new ATOM 1975 N ALA A 127 124.993 6.683 10.786 1.00 0.00 N ATOM 1976 CA ALA A 127 125.186 8.158 10.853 1.00 0.00 C ATOM 1977 C ALA A 127 125.839 8.524 12.188 1.00 0.00 C ATOM 1978 O ALA A 127 126.513 9.541 12.236 1.00 0.00 O ATOM 1979 CB ALA A 127 123.830 8.858 10.741 1.00 0.00 C ATOM 1980 OXT ALA A 127 125.650 7.783 13.141 1.00 0.00 O ATOM 0 H ALA A 127 125.031 6.200 11.684 1.00 0.00 H new ATOM 0 HA ALA A 127 125.828 8.478 10.032 1.00 0.00 H new ATOM 0 HB1 ALA A 127 123.973 9.938 10.790 1.00 0.00 H new ATOM 0 HB2 ALA A 127 123.363 8.597 9.791 1.00 0.00 H new ATOM 0 HB3 ALA A 127 123.187 8.539 11.561 1.00 0.00 H new