USER MOD reduce.3.24.130724 H: found=0, std=0, add=975, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 975 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 -144:sc= -0.752! USER MOD Set 1.2: A 96 TYR OH : rot 89:sc= -0.793! USER MOD Set 2.1: A 66 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 74 ASN : amide:sc= -1.02 K(o=-1,f=-6.7!) USER MOD Set 3.1: A 9 THR OG1 : rot 100:sc= -0.399 USER MOD Set 3.2: A 51 LYS NZ :NH3+ 177:sc= -1.09 (180deg=-1.11) USER MOD Set 4.1: A 32 ASN : amide:sc= -8.02! C(o=-8.1!,f=-20!) USER MOD Set 4.2: A 34 GLN : amide:sc= -0.0383 K(o=-8.1,f=-9.5!) USER MOD Single : A 1 GLU N :NH3+ -130:sc= 0.0186 (180deg=-3.54!) USER MOD Single : A 2 LYS NZ :NH3+ -165:sc= -0.0146 (180deg=-0.264) USER MOD Single : A 4 LYS NZ :NH3+ -156:sc= 0.25 (180deg=0.124) USER MOD Single : A 10 THR OG1 : rot -28:sc= 0.428 USER MOD Single : A 11 SER OG : rot -18:sc= -2.59! USER MOD Single : A 13 SER OG : rot 96:sc= 0.279 USER MOD Single : A 14 THR OG1 : rot 5:sc= 0.843! USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc=-0.00725 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 26 SER OG : rot 80:sc= 0.395 USER MOD Single : A 27 ASN : amide:sc= -0.188 K(o=-0.19,f=-1.9!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot -114:sc= 0.494 USER MOD Single : A 30 SER OG : rot 90:sc= 0.75 USER MOD Single : A 31 ASN : amide:sc= -1.73! C(o=-1.7!,f=-5!) USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -134:sc= 0 (180deg=-0.553) USER MOD Single : A 43 HIS : no HD1:sc= -0.0299 X(o=-0.03,f=-0.18) USER MOD Single : A 45 ASN : amide:sc=-0.00535 K(o=-0.0054,f=-1.8!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 56 TYR OH : rot -116:sc= 0.0796 USER MOD Single : A 57 SER OG : rot -84:sc= 1.18 USER MOD Single : A 61 HIS : no HD1:sc= -0.631 K(o=-0.63,f=0.016) USER MOD Single : A 69 ASN : amide:sc= -0.119 K(o=-0.12,f=-2.2!) USER MOD Single : A 71 SER OG : rot -170:sc= -0.95 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.0671 K(o=-0.067,f=-1.9!) USER MOD Single : A 79 ASN : amide:sc= -2.35! C(o=-2.3!,f=-11!) USER MOD Single : A 80 LYS NZ :NH3+ -147:sc= -1.57 (180deg=-2.99!) USER MOD Single : A 82 LYS NZ :NH3+ 162:sc= -0.0482 (180deg=-0.44) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -7.28! C(o=-7.3!,f=-1.5!) USER MOD Single : A 88 MET CE :methyl 152:sc= -0.0614 (180deg=-0.55) USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -0.182 K(o=-0.18,f=-3.1!) USER MOD Single : A 93 ASN : amide:sc= -2.3! C(o=-2.3!,f=-5.5!) USER MOD Single : A 97 SER OG : rot 30:sc= -3.05! 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= -0.0112 K(o=-0.011,f=-1.8!) USER MOD Single : A 108 LYS NZ :NH3+ -178:sc= -1.4 (180deg=-1.51) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ -125:sc= -0.576 (180deg=-1.52) USER MOD Single : A 117 ASN : amide:sc= -0.078 K(o=-0.078,f=-1.2!) USER MOD Single : A 119 LYS NZ :NH3+ -166:sc=-0.00681 (180deg=-0.198) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 THR OG1 : rot 24:sc= 0.00731 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 115.323 15.770 -4.648 1.00 0.00 N ATOM 2 CA GLU A 1 116.539 14.958 -4.355 1.00 0.00 C ATOM 3 C GLU A 1 116.140 13.493 -4.154 1.00 0.00 C ATOM 4 O GLU A 1 115.042 13.192 -3.731 1.00 0.00 O ATOM 5 CB GLU A 1 117.206 15.479 -3.080 1.00 0.00 C ATOM 6 CG GLU A 1 117.748 16.888 -3.326 1.00 0.00 C ATOM 7 CD GLU A 1 116.616 17.906 -3.174 1.00 0.00 C ATOM 8 OE1 GLU A 1 115.485 17.482 -2.999 1.00 0.00 O ATOM 9 OE2 GLU A 1 116.900 19.090 -3.227 1.00 0.00 O ATOM 0 H1 GLU A 1 115.489 16.351 -5.495 1.00 0.00 H new ATOM 0 H2 GLU A 1 114.515 15.137 -4.815 1.00 0.00 H new ATOM 0 H3 GLU A 1 115.116 16.389 -3.839 1.00 0.00 H new ATOM 0 HA GLU A 1 117.235 15.036 -5.190 1.00 0.00 H new ATOM 0 HB2 GLU A 1 116.487 15.492 -2.261 1.00 0.00 H new ATOM 0 HB3 GLU A 1 118.016 14.813 -2.783 1.00 0.00 H new ATOM 0 HG2 GLU A 1 118.548 17.110 -2.619 1.00 0.00 H new ATOM 0 HG3 GLU A 1 118.178 16.954 -4.325 1.00 0.00 H new ATOM 18 N LYS A 2 117.021 12.582 -4.457 1.00 0.00 N ATOM 19 CA LYS A 2 116.692 11.139 -4.281 1.00 0.00 C ATOM 20 C LYS A 2 116.744 10.788 -2.792 1.00 0.00 C ATOM 21 O LYS A 2 117.409 11.444 -2.014 1.00 0.00 O ATOM 22 CB LYS A 2 117.703 10.286 -5.051 1.00 0.00 C ATOM 23 CG LYS A 2 117.669 10.664 -6.535 1.00 0.00 C ATOM 24 CD LYS A 2 116.476 9.987 -7.216 1.00 0.00 C ATOM 25 CE LYS A 2 116.512 10.276 -8.717 1.00 0.00 C ATOM 26 NZ LYS A 2 116.285 11.732 -8.949 1.00 0.00 N ATOM 0 H LYS A 2 117.955 12.773 -4.819 1.00 0.00 H new ATOM 0 HA LYS A 2 115.692 10.941 -4.665 1.00 0.00 H new ATOM 0 HB2 LYS A 2 118.704 10.439 -4.649 1.00 0.00 H new ATOM 0 HB3 LYS A 2 117.469 9.228 -4.929 1.00 0.00 H new ATOM 0 HG2 LYS A 2 117.595 11.746 -6.642 1.00 0.00 H new ATOM 0 HG3 LYS A 2 118.597 10.359 -7.019 1.00 0.00 H new ATOM 0 HD2 LYS A 2 116.507 8.912 -7.041 1.00 0.00 H new ATOM 0 HD3 LYS A 2 115.543 10.353 -6.787 1.00 0.00 H new ATOM 0 HE2 LYS A 2 117.474 9.976 -9.133 1.00 0.00 H new ATOM 0 HE3 LYS A 2 115.747 9.692 -9.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 116.057 11.892 -9.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 115.495 12.059 -8.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 117.145 12.261 -8.701 1.00 0.00 H new ATOM 40 N VAL A 3 116.036 9.771 -2.386 1.00 0.00 N ATOM 41 CA VAL A 3 116.029 9.386 -0.945 1.00 0.00 C ATOM 42 C VAL A 3 117.039 8.262 -0.704 1.00 0.00 C ATOM 43 O VAL A 3 117.080 7.288 -1.427 1.00 0.00 O ATOM 44 CB VAL A 3 114.632 8.892 -0.564 1.00 0.00 C ATOM 45 CG1 VAL A 3 114.642 8.379 0.879 1.00 0.00 C ATOM 46 CG2 VAL A 3 113.631 10.041 -0.691 1.00 0.00 C ATOM 0 H VAL A 3 115.459 9.187 -2.992 1.00 0.00 H new ATOM 0 HA VAL A 3 116.298 10.251 -0.339 1.00 0.00 H new ATOM 0 HB VAL A 3 114.342 8.082 -1.233 1.00 0.00 H new ATOM 0 HG11 VAL A 3 113.646 8.028 1.147 1.00 0.00 H new ATOM 0 HG12 VAL A 3 115.352 7.557 0.968 1.00 0.00 H new ATOM 0 HG13 VAL A 3 114.935 9.186 1.550 1.00 0.00 H new ATOM 0 HG21 VAL A 3 112.636 9.688 -0.419 1.00 0.00 H new ATOM 0 HG22 VAL A 3 113.923 10.853 -0.025 1.00 0.00 H new ATOM 0 HG23 VAL A 3 113.620 10.402 -1.719 1.00 0.00 H new ATOM 56 N LYS A 4 117.848 8.381 0.316 1.00 0.00 N ATOM 57 CA LYS A 4 118.835 7.302 0.597 1.00 0.00 C ATOM 58 C LYS A 4 118.083 6.066 1.090 1.00 0.00 C ATOM 59 O LYS A 4 117.364 6.117 2.069 1.00 0.00 O ATOM 60 CB LYS A 4 119.818 7.758 1.678 1.00 0.00 C ATOM 61 CG LYS A 4 120.590 8.989 1.196 1.00 0.00 C ATOM 62 CD LYS A 4 121.492 8.604 0.021 1.00 0.00 C ATOM 63 CE LYS A 4 122.605 9.642 -0.131 1.00 0.00 C ATOM 64 NZ LYS A 4 123.734 9.295 0.777 1.00 0.00 N ATOM 0 H LYS A 4 117.867 9.172 0.960 1.00 0.00 H new ATOM 0 HA LYS A 4 119.390 7.071 -0.312 1.00 0.00 H new ATOM 0 HB2 LYS A 4 119.279 7.993 2.596 1.00 0.00 H new ATOM 0 HB3 LYS A 4 120.513 6.952 1.913 1.00 0.00 H new ATOM 0 HG2 LYS A 4 119.894 9.771 0.892 1.00 0.00 H new ATOM 0 HG3 LYS A 4 121.190 9.396 2.010 1.00 0.00 H new ATOM 0 HD2 LYS A 4 121.922 7.616 0.188 1.00 0.00 H new ATOM 0 HD3 LYS A 4 120.907 8.546 -0.897 1.00 0.00 H new ATOM 0 HE2 LYS A 4 122.951 9.672 -1.164 1.00 0.00 H new ATOM 0 HE3 LYS A 4 122.225 10.636 0.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 124.283 10.152 0.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 123.359 8.895 1.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 124.349 8.596 0.314 1.00 0.00 H new ATOM 78 N GLY A 5 118.234 4.961 0.419 1.00 0.00 N ATOM 79 CA GLY A 5 117.516 3.732 0.855 1.00 0.00 C ATOM 80 C GLY A 5 117.820 2.590 -0.109 1.00 0.00 C ATOM 81 O GLY A 5 118.496 2.768 -1.104 1.00 0.00 O ATOM 0 H GLY A 5 118.820 4.855 -0.409 1.00 0.00 H new ATOM 0 HA2 GLY A 5 117.822 3.459 1.865 1.00 0.00 H new ATOM 0 HA3 GLY A 5 116.442 3.918 0.887 1.00 0.00 H new ATOM 85 N CYS A 6 117.321 1.418 0.175 1.00 0.00 N ATOM 86 CA CYS A 6 117.576 0.256 -0.725 1.00 0.00 C ATOM 87 C CYS A 6 116.252 -0.222 -1.320 1.00 0.00 C ATOM 88 O CYS A 6 115.286 -0.465 -0.615 1.00 0.00 O ATOM 89 CB CYS A 6 118.206 -0.874 0.089 1.00 0.00 C ATOM 90 SG CYS A 6 119.124 -1.981 -1.010 1.00 0.00 S ATOM 0 H CYS A 6 116.747 1.214 0.993 1.00 0.00 H new ATOM 0 HA CYS A 6 118.250 0.550 -1.530 1.00 0.00 H new ATOM 0 HB2 CYS A 6 118.874 -0.461 0.845 1.00 0.00 H new ATOM 0 HB3 CYS A 6 117.431 -1.430 0.617 1.00 0.00 H new ATOM 95 N ASP A 7 116.203 -0.357 -2.616 1.00 0.00 N ATOM 96 CA ASP A 7 114.948 -0.826 -3.272 1.00 0.00 C ATOM 97 C ASP A 7 115.103 -2.294 -3.673 1.00 0.00 C ATOM 98 O ASP A 7 115.863 -2.626 -4.561 1.00 0.00 O ATOM 99 CB ASP A 7 114.677 0.018 -4.517 1.00 0.00 C ATOM 100 CG ASP A 7 113.264 -0.265 -5.030 1.00 0.00 C ATOM 101 OD1 ASP A 7 112.637 -1.174 -4.511 1.00 0.00 O ATOM 102 OD2 ASP A 7 112.834 0.430 -5.935 1.00 0.00 O ATOM 0 H ASP A 7 116.978 -0.163 -3.251 1.00 0.00 H new ATOM 0 HA ASP A 7 114.114 -0.725 -2.578 1.00 0.00 H new ATOM 0 HB2 ASP A 7 114.784 1.077 -4.281 1.00 0.00 H new ATOM 0 HB3 ASP A 7 115.409 -0.212 -5.291 1.00 0.00 H new ATOM 107 N PHE A 8 114.389 -3.177 -3.029 1.00 0.00 N ATOM 108 CA PHE A 8 114.496 -4.622 -3.380 1.00 0.00 C ATOM 109 C PHE A 8 113.440 -4.953 -4.434 1.00 0.00 C ATOM 110 O PHE A 8 113.322 -6.078 -4.882 1.00 0.00 O ATOM 111 CB PHE A 8 114.249 -5.473 -2.132 1.00 0.00 C ATOM 112 CG PHE A 8 115.434 -5.374 -1.201 1.00 0.00 C ATOM 113 CD1 PHE A 8 116.559 -6.180 -1.410 1.00 0.00 C ATOM 114 CD2 PHE A 8 115.405 -4.478 -0.125 1.00 0.00 C ATOM 115 CE1 PHE A 8 117.656 -6.090 -0.544 1.00 0.00 C ATOM 116 CE2 PHE A 8 116.501 -4.390 0.742 1.00 0.00 C ATOM 117 CZ PHE A 8 117.626 -5.196 0.532 1.00 0.00 C ATOM 0 H PHE A 8 113.737 -2.960 -2.275 1.00 0.00 H new ATOM 0 HA PHE A 8 115.492 -4.834 -3.769 1.00 0.00 H new ATOM 0 HB2 PHE A 8 113.346 -5.135 -1.623 1.00 0.00 H new ATOM 0 HB3 PHE A 8 114.084 -6.512 -2.416 1.00 0.00 H new ATOM 0 HD1 PHE A 8 116.581 -6.872 -2.239 1.00 0.00 H new ATOM 0 HD2 PHE A 8 114.538 -3.855 0.036 1.00 0.00 H new ATOM 0 HE1 PHE A 8 118.525 -6.710 -0.707 1.00 0.00 H new ATOM 0 HE2 PHE A 8 116.478 -3.700 1.573 1.00 0.00 H new ATOM 0 HZ PHE A 8 118.471 -5.128 1.201 1.00 0.00 H new ATOM 127 N THR A 9 112.656 -3.982 -4.815 1.00 0.00 N ATOM 128 CA THR A 9 111.585 -4.233 -5.821 1.00 0.00 C ATOM 129 C THR A 9 111.992 -3.682 -7.192 1.00 0.00 C ATOM 130 O THR A 9 111.410 -4.029 -8.200 1.00 0.00 O ATOM 131 CB THR A 9 110.302 -3.538 -5.360 1.00 0.00 C ATOM 132 OG1 THR A 9 109.949 -4.008 -4.067 1.00 0.00 O ATOM 133 CG2 THR A 9 109.170 -3.842 -6.343 1.00 0.00 C ATOM 0 H THR A 9 112.711 -3.023 -4.472 1.00 0.00 H new ATOM 0 HA THR A 9 111.426 -5.308 -5.910 1.00 0.00 H new ATOM 0 HB THR A 9 110.466 -2.461 -5.323 1.00 0.00 H new ATOM 0 HG1 THR A 9 110.236 -3.357 -3.393 1.00 0.00 H new ATOM 0 HG21 THR A 9 108.258 -3.346 -6.012 1.00 0.00 H new ATOM 0 HG22 THR A 9 109.442 -3.479 -7.334 1.00 0.00 H new ATOM 0 HG23 THR A 9 109.003 -4.918 -6.384 1.00 0.00 H new ATOM 141 N THR A 10 112.974 -2.822 -7.247 1.00 0.00 N ATOM 142 CA THR A 10 113.380 -2.260 -8.566 1.00 0.00 C ATOM 143 C THR A 10 114.831 -1.778 -8.513 1.00 0.00 C ATOM 144 O THR A 10 115.201 -0.973 -7.681 1.00 0.00 O ATOM 145 CB THR A 10 112.466 -1.082 -8.914 1.00 0.00 C ATOM 146 OG1 THR A 10 111.109 -1.477 -8.766 1.00 0.00 O ATOM 147 CG2 THR A 10 112.716 -0.643 -10.358 1.00 0.00 C ATOM 0 H THR A 10 113.507 -2.488 -6.444 1.00 0.00 H new ATOM 0 HA THR A 10 113.293 -3.036 -9.326 1.00 0.00 H new ATOM 0 HB THR A 10 112.679 -0.249 -8.243 1.00 0.00 H new ATOM 0 HG1 THR A 10 111.031 -2.442 -8.915 1.00 0.00 H new ATOM 0 HG21 THR A 10 112.064 0.195 -10.602 1.00 0.00 H new ATOM 0 HG22 THR A 10 113.756 -0.338 -10.471 1.00 0.00 H new ATOM 0 HG23 THR A 10 112.507 -1.473 -11.032 1.00 0.00 H new ATOM 155 N SER A 11 115.657 -2.258 -9.404 1.00 0.00 N ATOM 156 CA SER A 11 117.080 -1.817 -9.410 1.00 0.00 C ATOM 157 C SER A 11 117.138 -0.331 -9.757 1.00 0.00 C ATOM 158 O SER A 11 118.051 0.375 -9.372 1.00 0.00 O ATOM 159 CB SER A 11 117.861 -2.616 -10.454 1.00 0.00 C ATOM 160 OG SER A 11 117.264 -2.430 -11.729 1.00 0.00 O ATOM 0 H SER A 11 115.408 -2.934 -10.126 1.00 0.00 H new ATOM 0 HA SER A 11 117.521 -1.985 -8.427 1.00 0.00 H new ATOM 0 HB2 SER A 11 118.901 -2.290 -10.475 1.00 0.00 H new ATOM 0 HB3 SER A 11 117.864 -3.674 -10.192 1.00 0.00 H new ATOM 0 HG SER A 11 116.354 -2.083 -11.617 1.00 0.00 H new ATOM 166 N GLU A 12 116.155 0.151 -10.471 1.00 0.00 N ATOM 167 CA GLU A 12 116.129 1.595 -10.839 1.00 0.00 C ATOM 168 C GLU A 12 114.947 2.261 -10.135 1.00 0.00 C ATOM 169 O GLU A 12 113.946 2.582 -10.746 1.00 0.00 O ATOM 170 CB GLU A 12 115.956 1.728 -12.353 1.00 0.00 C ATOM 171 CG GLU A 12 117.149 1.087 -13.066 1.00 0.00 C ATOM 172 CD GLU A 12 116.895 -0.411 -13.237 1.00 0.00 C ATOM 173 OE1 GLU A 12 115.893 -0.886 -12.726 1.00 0.00 O ATOM 174 OE2 GLU A 12 117.704 -1.060 -13.880 1.00 0.00 O ATOM 0 H GLU A 12 115.367 -0.396 -10.816 1.00 0.00 H new ATOM 0 HA GLU A 12 117.061 2.073 -10.536 1.00 0.00 H new ATOM 0 HB2 GLU A 12 115.030 1.246 -12.667 1.00 0.00 H new ATOM 0 HB3 GLU A 12 115.877 2.780 -12.629 1.00 0.00 H new ATOM 0 HG2 GLU A 12 117.299 1.555 -14.039 1.00 0.00 H new ATOM 0 HG3 GLU A 12 118.060 1.249 -12.490 1.00 0.00 H new ATOM 181 N SER A 13 115.045 2.459 -8.851 1.00 0.00 N ATOM 182 CA SER A 13 113.921 3.087 -8.105 1.00 0.00 C ATOM 183 C SER A 13 113.755 4.546 -8.524 1.00 0.00 C ATOM 184 O SER A 13 114.702 5.215 -8.890 1.00 0.00 O ATOM 185 CB SER A 13 114.212 3.029 -6.603 1.00 0.00 C ATOM 186 OG SER A 13 113.066 3.473 -5.887 1.00 0.00 O ATOM 0 H SER A 13 115.857 2.212 -8.285 1.00 0.00 H new ATOM 0 HA SER A 13 113.003 2.544 -8.330 1.00 0.00 H new ATOM 0 HB2 SER A 13 114.467 2.011 -6.309 1.00 0.00 H new ATOM 0 HB3 SER A 13 115.071 3.655 -6.362 1.00 0.00 H new ATOM 0 HG SER A 13 112.530 2.699 -5.615 1.00 0.00 H new ATOM 192 N THR A 14 112.555 5.046 -8.452 1.00 0.00 N ATOM 193 CA THR A 14 112.310 6.466 -8.822 1.00 0.00 C ATOM 194 C THR A 14 112.237 7.293 -7.538 1.00 0.00 C ATOM 195 O THR A 14 112.040 8.491 -7.567 1.00 0.00 O ATOM 196 CB THR A 14 110.981 6.580 -9.576 1.00 0.00 C ATOM 197 OG1 THR A 14 110.512 7.919 -9.510 1.00 0.00 O ATOM 198 CG2 THR A 14 109.951 5.644 -8.941 1.00 0.00 C ATOM 0 H THR A 14 111.729 4.529 -8.151 1.00 0.00 H new ATOM 0 HA THR A 14 113.114 6.830 -9.461 1.00 0.00 H new ATOM 0 HB THR A 14 111.130 6.300 -10.619 1.00 0.00 H new ATOM 0 HG1 THR A 14 111.180 8.478 -9.061 1.00 0.00 H new ATOM 0 HG21 THR A 14 109.006 5.725 -9.478 1.00 0.00 H new ATOM 0 HG22 THR A 14 110.311 4.617 -8.994 1.00 0.00 H new ATOM 0 HG23 THR A 14 109.801 5.922 -7.898 1.00 0.00 H new ATOM 206 N ILE A 15 112.405 6.650 -6.411 1.00 0.00 N ATOM 207 CA ILE A 15 112.358 7.380 -5.111 1.00 0.00 C ATOM 208 C ILE A 15 113.640 7.121 -4.312 1.00 0.00 C ATOM 209 O ILE A 15 114.043 7.930 -3.499 1.00 0.00 O ATOM 210 CB ILE A 15 111.144 6.905 -4.312 1.00 0.00 C ATOM 211 CG1 ILE A 15 111.156 5.378 -4.230 1.00 0.00 C ATOM 212 CG2 ILE A 15 109.862 7.366 -5.010 1.00 0.00 C ATOM 213 CD1 ILE A 15 110.105 4.913 -3.220 1.00 0.00 C ATOM 0 H ILE A 15 112.573 5.647 -6.336 1.00 0.00 H new ATOM 0 HA ILE A 15 112.276 8.450 -5.301 1.00 0.00 H new ATOM 0 HB ILE A 15 111.183 7.325 -3.307 1.00 0.00 H new ATOM 0 HG12 ILE A 15 110.949 4.949 -5.210 1.00 0.00 H new ATOM 0 HG13 ILE A 15 112.144 5.027 -3.931 1.00 0.00 H new ATOM 0 HG21 ILE A 15 108.996 7.028 -4.441 1.00 0.00 H new ATOM 0 HG22 ILE A 15 109.853 8.454 -5.072 1.00 0.00 H new ATOM 0 HG23 ILE A 15 109.823 6.945 -6.015 1.00 0.00 H new ATOM 0 HD11 ILE A 15 110.113 3.825 -3.161 1.00 0.00 H new ATOM 0 HD12 ILE A 15 110.333 5.331 -2.239 1.00 0.00 H new ATOM 0 HD13 ILE A 15 109.119 5.252 -3.539 1.00 0.00 H new ATOM 225 N PHE A 16 114.280 5.997 -4.521 1.00 0.00 N ATOM 226 CA PHE A 16 115.527 5.691 -3.752 1.00 0.00 C ATOM 227 C PHE A 16 116.739 5.748 -4.683 1.00 0.00 C ATOM 228 O PHE A 16 116.721 5.223 -5.777 1.00 0.00 O ATOM 229 CB PHE A 16 115.425 4.294 -3.132 1.00 0.00 C ATOM 230 CG PHE A 16 114.492 4.332 -1.944 1.00 0.00 C ATOM 231 CD1 PHE A 16 114.876 4.993 -0.771 1.00 0.00 C ATOM 232 CD2 PHE A 16 113.240 3.710 -2.017 1.00 0.00 C ATOM 233 CE1 PHE A 16 114.010 5.028 0.329 1.00 0.00 C ATOM 234 CE2 PHE A 16 112.375 3.748 -0.917 1.00 0.00 C ATOM 235 CZ PHE A 16 112.760 4.406 0.256 1.00 0.00 C ATOM 0 H PHE A 16 113.995 5.280 -5.188 1.00 0.00 H new ATOM 0 HA PHE A 16 115.645 6.431 -2.960 1.00 0.00 H new ATOM 0 HB2 PHE A 16 115.058 3.583 -3.872 1.00 0.00 H new ATOM 0 HB3 PHE A 16 116.412 3.950 -2.821 1.00 0.00 H new ATOM 0 HD1 PHE A 16 115.840 5.476 -0.714 1.00 0.00 H new ATOM 0 HD2 PHE A 16 112.942 3.201 -2.922 1.00 0.00 H new ATOM 0 HE1 PHE A 16 114.308 5.536 1.234 1.00 0.00 H new ATOM 0 HE2 PHE A 16 111.409 3.269 -0.974 1.00 0.00 H new ATOM 0 HZ PHE A 16 112.092 4.433 1.104 1.00 0.00 H new ATOM 245 N SER A 17 117.785 6.402 -4.254 1.00 0.00 N ATOM 246 CA SER A 17 119.005 6.524 -5.105 1.00 0.00 C ATOM 247 C SER A 17 119.691 5.166 -5.272 1.00 0.00 C ATOM 248 O SER A 17 120.496 4.988 -6.165 1.00 0.00 O ATOM 249 CB SER A 17 119.980 7.498 -4.448 1.00 0.00 C ATOM 250 OG SER A 17 120.959 7.897 -5.399 1.00 0.00 O ATOM 0 H SER A 17 117.847 6.860 -3.345 1.00 0.00 H new ATOM 0 HA SER A 17 118.708 6.889 -6.088 1.00 0.00 H new ATOM 0 HB2 SER A 17 119.444 8.370 -4.073 1.00 0.00 H new ATOM 0 HB3 SER A 17 120.460 7.027 -3.591 1.00 0.00 H new ATOM 0 HG SER A 17 121.585 8.524 -4.980 1.00 0.00 H new ATOM 256 N LYS A 18 119.405 4.214 -4.423 1.00 0.00 N ATOM 257 CA LYS A 18 120.080 2.885 -4.551 1.00 0.00 C ATOM 258 C LYS A 18 119.046 1.761 -4.647 1.00 0.00 C ATOM 259 O LYS A 18 118.072 1.725 -3.923 1.00 0.00 O ATOM 260 CB LYS A 18 120.967 2.651 -3.327 1.00 0.00 C ATOM 261 CG LYS A 18 122.039 3.740 -3.248 1.00 0.00 C ATOM 262 CD LYS A 18 122.996 3.604 -4.434 1.00 0.00 C ATOM 263 CE LYS A 18 124.324 4.281 -4.101 1.00 0.00 C ATOM 264 NZ LYS A 18 125.189 3.330 -3.350 1.00 0.00 N ATOM 0 H LYS A 18 118.741 4.295 -3.653 1.00 0.00 H new ATOM 0 HA LYS A 18 120.683 2.884 -5.459 1.00 0.00 H new ATOM 0 HB2 LYS A 18 120.361 2.658 -2.421 1.00 0.00 H new ATOM 0 HB3 LYS A 18 121.437 1.669 -3.389 1.00 0.00 H new ATOM 0 HG2 LYS A 18 121.572 4.725 -3.255 1.00 0.00 H new ATOM 0 HG3 LYS A 18 122.590 3.655 -2.311 1.00 0.00 H new ATOM 0 HD2 LYS A 18 123.160 2.551 -4.663 1.00 0.00 H new ATOM 0 HD3 LYS A 18 122.557 4.058 -5.322 1.00 0.00 H new ATOM 0 HE2 LYS A 18 124.823 4.598 -5.017 1.00 0.00 H new ATOM 0 HE3 LYS A 18 124.149 5.178 -3.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 126.094 3.789 -3.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 124.712 3.048 -2.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 125.366 2.487 -3.933 1.00 0.00 H new ATOM 278 N GLY A 19 119.264 0.829 -5.536 1.00 0.00 N ATOM 279 CA GLY A 19 118.304 -0.304 -5.680 1.00 0.00 C ATOM 280 C GLY A 19 119.067 -1.571 -6.078 1.00 0.00 C ATOM 281 O GLY A 19 120.164 -1.509 -6.597 1.00 0.00 O ATOM 0 H GLY A 19 120.064 0.803 -6.168 1.00 0.00 H new ATOM 0 HA2 GLY A 19 117.773 -0.466 -4.742 1.00 0.00 H new ATOM 0 HA3 GLY A 19 117.554 -0.066 -6.434 1.00 0.00 H new ATOM 285 N TYR A 20 118.491 -2.721 -5.841 1.00 0.00 N ATOM 286 CA TYR A 20 119.175 -4.000 -6.203 1.00 0.00 C ATOM 287 C TYR A 20 118.354 -4.739 -7.260 1.00 0.00 C ATOM 288 O TYR A 20 117.145 -4.631 -7.308 1.00 0.00 O ATOM 289 CB TYR A 20 119.299 -4.881 -4.958 1.00 0.00 C ATOM 290 CG TYR A 20 120.470 -4.425 -4.121 1.00 0.00 C ATOM 291 CD1 TYR A 20 120.417 -3.199 -3.450 1.00 0.00 C ATOM 292 CD2 TYR A 20 121.607 -5.237 -4.011 1.00 0.00 C ATOM 293 CE1 TYR A 20 121.501 -2.783 -2.667 1.00 0.00 C ATOM 294 CE2 TYR A 20 122.690 -4.820 -3.229 1.00 0.00 C ATOM 295 CZ TYR A 20 122.637 -3.593 -2.558 1.00 0.00 C ATOM 296 OH TYR A 20 123.705 -3.182 -1.786 1.00 0.00 O ATOM 0 H TYR A 20 117.573 -2.830 -5.411 1.00 0.00 H new ATOM 0 HA TYR A 20 120.166 -3.779 -6.598 1.00 0.00 H new ATOM 0 HB2 TYR A 20 118.381 -4.830 -4.373 1.00 0.00 H new ATOM 0 HB3 TYR A 20 119.433 -5.922 -5.251 1.00 0.00 H new ATOM 0 HD1 TYR A 20 119.541 -2.574 -3.536 1.00 0.00 H new ATOM 0 HD2 TYR A 20 121.647 -6.184 -4.529 1.00 0.00 H new ATOM 0 HE1 TYR A 20 121.460 -1.837 -2.147 1.00 0.00 H new ATOM 0 HE2 TYR A 20 123.567 -5.445 -3.143 1.00 0.00 H new ATOM 0 HH TYR A 20 124.411 -3.861 -1.817 1.00 0.00 H new ATOM 306 N SER A 21 119.001 -5.499 -8.099 1.00 0.00 N ATOM 307 CA SER A 21 118.259 -6.258 -9.145 1.00 0.00 C ATOM 308 C SER A 21 117.978 -7.673 -8.630 1.00 0.00 C ATOM 309 O SER A 21 118.667 -8.172 -7.759 1.00 0.00 O ATOM 310 CB SER A 21 119.106 -6.337 -10.414 1.00 0.00 C ATOM 311 OG SER A 21 118.425 -7.117 -11.388 1.00 0.00 O ATOM 0 H SER A 21 120.013 -5.628 -8.106 1.00 0.00 H new ATOM 0 HA SER A 21 117.319 -5.754 -9.369 1.00 0.00 H new ATOM 0 HB2 SER A 21 119.295 -5.336 -10.801 1.00 0.00 H new ATOM 0 HB3 SER A 21 120.076 -6.781 -10.190 1.00 0.00 H new ATOM 0 HG SER A 21 118.966 -7.167 -12.203 1.00 0.00 H new ATOM 317 N ILE A 22 116.977 -8.325 -9.158 1.00 0.00 N ATOM 318 CA ILE A 22 116.661 -9.704 -8.685 1.00 0.00 C ATOM 319 C ILE A 22 117.884 -10.603 -8.889 1.00 0.00 C ATOM 320 O ILE A 22 118.017 -11.637 -8.266 1.00 0.00 O ATOM 321 CB ILE A 22 115.472 -10.259 -9.475 1.00 0.00 C ATOM 322 CG1 ILE A 22 115.802 -10.268 -10.971 1.00 0.00 C ATOM 323 CG2 ILE A 22 114.243 -9.382 -9.234 1.00 0.00 C ATOM 324 CD1 ILE A 22 114.681 -10.978 -11.733 1.00 0.00 C ATOM 0 H ILE A 22 116.367 -7.965 -9.892 1.00 0.00 H new ATOM 0 HA ILE A 22 116.404 -9.677 -7.626 1.00 0.00 H new ATOM 0 HB ILE A 22 115.266 -11.277 -9.143 1.00 0.00 H new ATOM 0 HG12 ILE A 22 115.915 -9.247 -11.336 1.00 0.00 H new ATOM 0 HG13 ILE A 22 116.751 -10.775 -11.142 1.00 0.00 H new ATOM 0 HG21 ILE A 22 113.398 -9.778 -9.797 1.00 0.00 H new ATOM 0 HG22 ILE A 22 114.002 -9.378 -8.171 1.00 0.00 H new ATOM 0 HG23 ILE A 22 114.452 -8.364 -9.562 1.00 0.00 H new ATOM 0 HD11 ILE A 22 114.913 -10.986 -12.798 1.00 0.00 H new ATOM 0 HD12 ILE A 22 114.590 -12.003 -11.374 1.00 0.00 H new ATOM 0 HD13 ILE A 22 113.741 -10.451 -11.571 1.00 0.00 H new ATOM 336 N ASN A 23 118.781 -10.217 -9.754 1.00 0.00 N ATOM 337 CA ASN A 23 119.996 -11.051 -9.983 1.00 0.00 C ATOM 338 C ASN A 23 120.880 -11.005 -8.735 1.00 0.00 C ATOM 339 O ASN A 23 121.423 -12.006 -8.308 1.00 0.00 O ATOM 340 CB ASN A 23 120.772 -10.505 -11.183 1.00 0.00 C ATOM 341 CG ASN A 23 122.032 -11.343 -11.398 1.00 0.00 C ATOM 342 OD1 ASN A 23 121.971 -12.556 -11.432 1.00 0.00 O ATOM 343 ND2 ASN A 23 123.182 -10.744 -11.548 1.00 0.00 N ATOM 0 H ASN A 23 118.726 -9.364 -10.310 1.00 0.00 H new ATOM 0 HA ASN A 23 119.702 -12.081 -10.184 1.00 0.00 H new ATOM 0 HB2 ASN A 23 120.148 -10.532 -12.076 1.00 0.00 H new ATOM 0 HB3 ASN A 23 121.040 -9.462 -11.013 1.00 0.00 H new ATOM 0 HD21 ASN A 23 124.028 -11.294 -11.694 1.00 0.00 H new ATOM 0 HD22 ASN A 23 123.234 -9.726 -11.520 1.00 0.00 H new ATOM 350 N GLU A 24 121.057 -9.842 -8.160 1.00 0.00 N ATOM 351 CA GLU A 24 121.930 -9.727 -6.958 1.00 0.00 C ATOM 352 C GLU A 24 121.523 -10.766 -5.912 1.00 0.00 C ATOM 353 O GLU A 24 122.350 -11.492 -5.399 1.00 0.00 O ATOM 354 CB GLU A 24 121.781 -8.324 -6.360 1.00 0.00 C ATOM 355 CG GLU A 24 122.320 -7.284 -7.346 1.00 0.00 C ATOM 356 CD GLU A 24 123.821 -7.501 -7.547 1.00 0.00 C ATOM 357 OE1 GLU A 24 124.426 -8.137 -6.700 1.00 0.00 O ATOM 358 OE2 GLU A 24 124.339 -7.027 -8.545 1.00 0.00 O ATOM 0 H GLU A 24 120.633 -8.968 -8.473 1.00 0.00 H new ATOM 0 HA GLU A 24 122.966 -9.901 -7.250 1.00 0.00 H new ATOM 0 HB2 GLU A 24 120.733 -8.121 -6.139 1.00 0.00 H new ATOM 0 HB3 GLU A 24 122.323 -8.261 -5.417 1.00 0.00 H new ATOM 0 HG2 GLU A 24 121.799 -7.367 -8.300 1.00 0.00 H new ATOM 0 HG3 GLU A 24 122.135 -6.279 -6.968 1.00 0.00 H new ATOM 365 N ILE A 25 120.261 -10.853 -5.593 1.00 0.00 N ATOM 366 CA ILE A 25 119.828 -11.856 -4.580 1.00 0.00 C ATOM 367 C ILE A 25 120.121 -13.268 -5.096 1.00 0.00 C ATOM 368 O ILE A 25 120.623 -14.110 -4.373 1.00 0.00 O ATOM 369 CB ILE A 25 118.328 -11.692 -4.301 1.00 0.00 C ATOM 370 CG1 ILE A 25 117.554 -11.658 -5.620 1.00 0.00 C ATOM 371 CG2 ILE A 25 118.089 -10.387 -3.540 1.00 0.00 C ATOM 372 CD1 ILE A 25 116.054 -11.621 -5.331 1.00 0.00 C ATOM 0 H ILE A 25 119.516 -10.278 -5.986 1.00 0.00 H new ATOM 0 HA ILE A 25 120.378 -11.698 -3.652 1.00 0.00 H new ATOM 0 HB ILE A 25 117.982 -12.534 -3.702 1.00 0.00 H new ATOM 0 HG12 ILE A 25 117.845 -10.783 -6.202 1.00 0.00 H new ATOM 0 HG13 ILE A 25 117.798 -12.535 -6.220 1.00 0.00 H new ATOM 0 HG21 ILE A 25 117.023 -10.271 -3.342 1.00 0.00 H new ATOM 0 HG22 ILE A 25 118.633 -10.412 -2.596 1.00 0.00 H new ATOM 0 HG23 ILE A 25 118.440 -9.547 -4.139 1.00 0.00 H new ATOM 0 HD11 ILE A 25 115.503 -11.597 -6.271 1.00 0.00 H new ATOM 0 HD12 ILE A 25 115.770 -12.509 -4.767 1.00 0.00 H new ATOM 0 HD13 ILE A 25 115.818 -10.730 -4.749 1.00 0.00 H new ATOM 384 N SER A 26 119.826 -13.530 -6.339 1.00 0.00 N ATOM 385 CA SER A 26 120.097 -14.886 -6.896 1.00 0.00 C ATOM 386 C SER A 26 121.594 -15.185 -6.787 1.00 0.00 C ATOM 387 O SER A 26 121.994 -16.254 -6.385 1.00 0.00 O ATOM 388 CB SER A 26 119.675 -14.925 -8.365 1.00 0.00 C ATOM 389 OG SER A 26 118.283 -14.653 -8.461 1.00 0.00 O ATOM 0 H SER A 26 119.410 -12.866 -6.992 1.00 0.00 H new ATOM 0 HA SER A 26 119.533 -15.632 -6.337 1.00 0.00 H new ATOM 0 HB2 SER A 26 120.241 -14.190 -8.938 1.00 0.00 H new ATOM 0 HB3 SER A 26 119.897 -15.903 -8.793 1.00 0.00 H new ATOM 0 HG SER A 26 118.134 -13.686 -8.402 1.00 0.00 H new ATOM 395 N ASN A 27 122.426 -14.235 -7.126 1.00 0.00 N ATOM 396 CA ASN A 27 123.900 -14.458 -7.024 1.00 0.00 C ATOM 397 C ASN A 27 124.327 -14.284 -5.563 1.00 0.00 C ATOM 398 O ASN A 27 124.837 -15.194 -4.941 1.00 0.00 O ATOM 399 CB ASN A 27 124.633 -13.445 -7.905 1.00 0.00 C ATOM 400 CG ASN A 27 125.991 -14.013 -8.311 1.00 0.00 C ATOM 401 OD1 ASN A 27 126.131 -15.206 -8.498 1.00 0.00 O ATOM 402 ND2 ASN A 27 127.005 -13.207 -8.453 1.00 0.00 N ATOM 0 H ASN A 27 122.149 -13.315 -7.469 1.00 0.00 H new ATOM 0 HA ASN A 27 124.149 -15.464 -7.361 1.00 0.00 H new ATOM 0 HB2 ASN A 27 124.040 -13.222 -8.792 1.00 0.00 H new ATOM 0 HB3 ASN A 27 124.765 -12.507 -7.366 1.00 0.00 H new ATOM 0 HD21 ASN A 27 127.917 -13.577 -8.721 1.00 0.00 H new ATOM 0 HD22 ASN A 27 126.887 -12.206 -8.296 1.00 0.00 H new ATOM 409 N LYS A 28 124.130 -13.109 -5.025 1.00 0.00 N ATOM 410 CA LYS A 28 124.528 -12.860 -3.608 1.00 0.00 C ATOM 411 C LYS A 28 124.088 -14.042 -2.747 1.00 0.00 C ATOM 412 O LYS A 28 124.504 -14.188 -1.617 1.00 0.00 O ATOM 413 CB LYS A 28 123.851 -11.585 -3.108 1.00 0.00 C ATOM 414 CG LYS A 28 124.544 -11.098 -1.834 1.00 0.00 C ATOM 415 CD LYS A 28 125.736 -10.214 -2.206 1.00 0.00 C ATOM 416 CE LYS A 28 126.358 -9.631 -0.936 1.00 0.00 C ATOM 417 NZ LYS A 28 127.516 -8.766 -1.301 1.00 0.00 N ATOM 0 H LYS A 28 123.711 -12.312 -5.505 1.00 0.00 H new ATOM 0 HA LYS A 28 125.610 -12.745 -3.545 1.00 0.00 H new ATOM 0 HB2 LYS A 28 123.896 -10.813 -3.876 1.00 0.00 H new ATOM 0 HB3 LYS A 28 122.796 -11.776 -2.910 1.00 0.00 H new ATOM 0 HG2 LYS A 28 123.841 -10.538 -1.217 1.00 0.00 H new ATOM 0 HG3 LYS A 28 124.880 -11.949 -1.242 1.00 0.00 H new ATOM 0 HD2 LYS A 28 126.478 -10.797 -2.752 1.00 0.00 H new ATOM 0 HD3 LYS A 28 125.413 -9.410 -2.867 1.00 0.00 H new ATOM 0 HE2 LYS A 28 125.616 -9.051 -0.388 1.00 0.00 H new ATOM 0 HE3 LYS A 28 126.685 -10.435 -0.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 127.939 -8.370 -0.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 128.227 -9.333 -1.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 127.191 -7.992 -1.914 1.00 0.00 H new ATOM 431 N SER A 29 123.255 -14.899 -3.275 1.00 0.00 N ATOM 432 CA SER A 29 122.797 -16.081 -2.491 1.00 0.00 C ATOM 433 C SER A 29 123.416 -17.354 -3.079 1.00 0.00 C ATOM 434 O SER A 29 123.793 -18.260 -2.363 1.00 0.00 O ATOM 435 CB SER A 29 121.271 -16.179 -2.571 1.00 0.00 C ATOM 436 OG SER A 29 120.878 -16.356 -3.926 1.00 0.00 O ATOM 0 H SER A 29 122.872 -14.830 -4.218 1.00 0.00 H new ATOM 0 HA SER A 29 123.106 -15.971 -1.451 1.00 0.00 H new ATOM 0 HB2 SER A 29 120.917 -17.014 -1.967 1.00 0.00 H new ATOM 0 HB3 SER A 29 120.816 -15.276 -2.164 1.00 0.00 H new ATOM 0 HG SER A 29 120.383 -15.566 -4.229 1.00 0.00 H new ATOM 442 N SER A 30 123.518 -17.423 -4.375 1.00 0.00 N ATOM 443 CA SER A 30 124.109 -18.635 -5.010 1.00 0.00 C ATOM 444 C SER A 30 125.549 -18.826 -4.519 1.00 0.00 C ATOM 445 O SER A 30 125.956 -19.920 -4.175 1.00 0.00 O ATOM 446 CB SER A 30 124.110 -18.466 -6.529 1.00 0.00 C ATOM 447 OG SER A 30 122.770 -18.335 -6.987 1.00 0.00 O ATOM 0 H SER A 30 123.219 -16.694 -5.023 1.00 0.00 H new ATOM 0 HA SER A 30 123.515 -19.508 -4.739 1.00 0.00 H new ATOM 0 HB2 SER A 30 124.690 -17.586 -6.808 1.00 0.00 H new ATOM 0 HB3 SER A 30 124.586 -19.325 -7.002 1.00 0.00 H new ATOM 0 HG SER A 30 122.515 -17.389 -6.986 1.00 0.00 H new ATOM 453 N ASN A 31 126.319 -17.774 -4.481 1.00 0.00 N ATOM 454 CA ASN A 31 127.731 -17.897 -4.009 1.00 0.00 C ATOM 455 C ASN A 31 127.775 -17.757 -2.484 1.00 0.00 C ATOM 456 O ASN A 31 128.218 -18.645 -1.782 1.00 0.00 O ATOM 457 CB ASN A 31 128.580 -16.797 -4.647 1.00 0.00 C ATOM 458 CG ASN A 31 130.001 -16.860 -4.086 1.00 0.00 C ATOM 459 OD1 ASN A 31 130.266 -17.586 -3.148 1.00 0.00 O ATOM 460 ND2 ASN A 31 130.934 -16.123 -4.623 1.00 0.00 N ATOM 0 H ASN A 31 126.034 -16.834 -4.756 1.00 0.00 H new ATOM 0 HA ASN A 31 128.125 -18.872 -4.295 1.00 0.00 H new ATOM 0 HB2 ASN A 31 128.599 -16.920 -5.730 1.00 0.00 H new ATOM 0 HB3 ASN A 31 128.141 -15.820 -4.445 1.00 0.00 H new ATOM 0 HD21 ASN A 31 131.885 -16.156 -4.256 1.00 0.00 H new ATOM 0 HD22 ASN A 31 130.713 -15.513 -5.410 1.00 0.00 H new ATOM 467 N ASN A 32 127.315 -16.648 -1.970 1.00 0.00 N ATOM 468 CA ASN A 32 127.332 -16.451 -0.490 1.00 0.00 C ATOM 469 C ASN A 32 125.907 -16.545 0.055 1.00 0.00 C ATOM 470 O ASN A 32 125.179 -15.575 0.076 1.00 0.00 O ATOM 471 CB ASN A 32 127.919 -15.075 -0.163 1.00 0.00 C ATOM 472 CG ASN A 32 127.212 -14.007 -0.996 1.00 0.00 C ATOM 473 OD1 ASN A 32 126.746 -14.280 -2.084 1.00 0.00 O ATOM 474 ND2 ASN A 32 127.113 -12.792 -0.530 1.00 0.00 N ATOM 0 H ASN A 32 126.929 -15.872 -2.508 1.00 0.00 H new ATOM 0 HA ASN A 32 127.946 -17.224 -0.028 1.00 0.00 H new ATOM 0 HB2 ASN A 32 127.800 -14.860 0.899 1.00 0.00 H new ATOM 0 HB3 ASN A 32 128.989 -15.065 -0.372 1.00 0.00 H new ATOM 0 HD21 ASN A 32 126.644 -12.072 -1.079 1.00 0.00 H new ATOM 0 HD22 ASN A 32 127.504 -12.563 0.384 1.00 0.00 H new ATOM 481 N GLN A 33 125.504 -17.702 0.500 1.00 0.00 N ATOM 482 CA GLN A 33 124.125 -17.848 1.044 1.00 0.00 C ATOM 483 C GLN A 33 124.036 -17.145 2.400 1.00 0.00 C ATOM 484 O GLN A 33 124.347 -17.713 3.429 1.00 0.00 O ATOM 485 CB GLN A 33 123.796 -19.333 1.216 1.00 0.00 C ATOM 486 CG GLN A 33 125.027 -20.077 1.744 1.00 0.00 C ATOM 487 CD GLN A 33 124.640 -21.514 2.095 1.00 0.00 C ATOM 488 OE1 GLN A 33 123.503 -21.907 1.928 1.00 0.00 O ATOM 489 NE2 GLN A 33 125.546 -22.321 2.578 1.00 0.00 N ATOM 0 H GLN A 33 126.068 -18.552 0.511 1.00 0.00 H new ATOM 0 HA GLN A 33 123.413 -17.398 0.353 1.00 0.00 H new ATOM 0 HB2 GLN A 33 122.962 -19.453 1.908 1.00 0.00 H new ATOM 0 HB3 GLN A 33 123.483 -19.759 0.263 1.00 0.00 H new ATOM 0 HG2 GLN A 33 125.817 -20.075 0.993 1.00 0.00 H new ATOM 0 HG3 GLN A 33 125.422 -19.570 2.624 1.00 0.00 H new ATOM 0 HE21 GLN A 33 126.501 -21.991 2.718 1.00 0.00 H new ATOM 0 HE22 GLN A 33 125.299 -23.282 2.815 1.00 0.00 H new ATOM 498 N GLN A 34 123.616 -15.908 2.416 1.00 0.00 N ATOM 499 CA GLN A 34 123.510 -15.173 3.706 1.00 0.00 C ATOM 500 C GLN A 34 122.400 -14.124 3.607 1.00 0.00 C ATOM 501 O GLN A 34 121.595 -14.140 2.699 1.00 0.00 O ATOM 502 CB GLN A 34 124.840 -14.481 4.010 1.00 0.00 C ATOM 503 CG GLN A 34 125.125 -13.424 2.942 1.00 0.00 C ATOM 504 CD GLN A 34 126.497 -12.797 3.199 1.00 0.00 C ATOM 505 OE1 GLN A 34 127.286 -13.327 3.955 1.00 0.00 O ATOM 506 NE2 GLN A 34 126.815 -11.683 2.599 1.00 0.00 N ATOM 0 H GLN A 34 123.342 -15.376 1.590 1.00 0.00 H new ATOM 0 HA GLN A 34 123.275 -15.876 4.505 1.00 0.00 H new ATOM 0 HB2 GLN A 34 124.803 -14.016 4.995 1.00 0.00 H new ATOM 0 HB3 GLN A 34 125.646 -15.215 4.034 1.00 0.00 H new ATOM 0 HG2 GLN A 34 125.100 -13.877 1.951 1.00 0.00 H new ATOM 0 HG3 GLN A 34 124.353 -12.655 2.961 1.00 0.00 H new ATOM 0 HE21 GLN A 34 126.152 -11.238 1.964 1.00 0.00 H new ATOM 0 HE22 GLN A 34 127.727 -11.257 2.765 1.00 0.00 H new ATOM 515 N ASP A 35 122.345 -13.216 4.545 1.00 0.00 N ATOM 516 CA ASP A 35 121.287 -12.171 4.510 1.00 0.00 C ATOM 517 C ASP A 35 121.722 -11.029 3.587 1.00 0.00 C ATOM 518 O ASP A 35 122.873 -10.640 3.573 1.00 0.00 O ATOM 519 CB ASP A 35 121.073 -11.618 5.922 1.00 0.00 C ATOM 520 CG ASP A 35 120.958 -12.773 6.919 1.00 0.00 C ATOM 521 OD1 ASP A 35 121.513 -13.824 6.646 1.00 0.00 O ATOM 522 OD2 ASP A 35 120.311 -12.590 7.937 1.00 0.00 O ATOM 0 H ASP A 35 122.989 -13.155 5.334 1.00 0.00 H new ATOM 0 HA ASP A 35 120.360 -12.609 4.139 1.00 0.00 H new ATOM 0 HB2 ASP A 35 121.904 -10.969 6.198 1.00 0.00 H new ATOM 0 HB3 ASP A 35 120.169 -11.009 5.951 1.00 0.00 H new ATOM 527 N ILE A 36 120.812 -10.482 2.830 1.00 0.00 N ATOM 528 CA ILE A 36 121.188 -9.359 1.923 1.00 0.00 C ATOM 529 C ILE A 36 121.243 -8.077 2.746 1.00 0.00 C ATOM 530 O ILE A 36 120.280 -7.696 3.376 1.00 0.00 O ATOM 531 CB ILE A 36 120.141 -9.212 0.817 1.00 0.00 C ATOM 532 CG1 ILE A 36 119.805 -10.593 0.246 1.00 0.00 C ATOM 533 CG2 ILE A 36 120.699 -8.322 -0.294 1.00 0.00 C ATOM 534 CD1 ILE A 36 121.076 -11.262 -0.280 1.00 0.00 C ATOM 0 H ILE A 36 119.831 -10.760 2.799 1.00 0.00 H new ATOM 0 HA ILE A 36 122.157 -9.557 1.465 1.00 0.00 H new ATOM 0 HB ILE A 36 119.238 -8.760 1.227 1.00 0.00 H new ATOM 0 HG12 ILE A 36 119.349 -11.214 1.017 1.00 0.00 H new ATOM 0 HG13 ILE A 36 119.075 -10.496 -0.558 1.00 0.00 H new ATOM 0 HG21 ILE A 36 119.955 -8.216 -1.083 1.00 0.00 H new ATOM 0 HG22 ILE A 36 120.939 -7.340 0.113 1.00 0.00 H new ATOM 0 HG23 ILE A 36 121.601 -8.775 -0.705 1.00 0.00 H new ATOM 0 HD11 ILE A 36 120.830 -12.244 -0.685 1.00 0.00 H new ATOM 0 HD12 ILE A 36 121.514 -10.645 -1.065 1.00 0.00 H new ATOM 0 HD13 ILE A 36 121.792 -11.374 0.534 1.00 0.00 H new ATOM 546 N VAL A 37 122.365 -7.412 2.762 1.00 0.00 N ATOM 547 CA VAL A 37 122.480 -6.162 3.569 1.00 0.00 C ATOM 548 C VAL A 37 122.714 -4.958 2.663 1.00 0.00 C ATOM 549 O VAL A 37 123.629 -4.940 1.861 1.00 0.00 O ATOM 550 CB VAL A 37 123.657 -6.293 4.538 1.00 0.00 C ATOM 551 CG1 VAL A 37 123.794 -5.006 5.354 1.00 0.00 C ATOM 552 CG2 VAL A 37 123.413 -7.470 5.487 1.00 0.00 C ATOM 0 H VAL A 37 123.207 -7.679 2.252 1.00 0.00 H new ATOM 0 HA VAL A 37 121.551 -6.015 4.120 1.00 0.00 H new ATOM 0 HB VAL A 37 124.572 -6.466 3.971 1.00 0.00 H new ATOM 0 HG11 VAL A 37 124.633 -5.100 6.044 1.00 0.00 H new ATOM 0 HG12 VAL A 37 123.970 -4.166 4.682 1.00 0.00 H new ATOM 0 HG13 VAL A 37 122.877 -4.834 5.918 1.00 0.00 H new ATOM 0 HG21 VAL A 37 124.252 -7.562 6.176 1.00 0.00 H new ATOM 0 HG22 VAL A 37 122.497 -7.298 6.052 1.00 0.00 H new ATOM 0 HG23 VAL A 37 123.316 -8.389 4.909 1.00 0.00 H new ATOM 562 N CYS A 38 121.920 -3.937 2.812 1.00 0.00 N ATOM 563 CA CYS A 38 122.124 -2.713 1.988 1.00 0.00 C ATOM 564 C CYS A 38 122.815 -1.665 2.856 1.00 0.00 C ATOM 565 O CYS A 38 122.195 -1.020 3.677 1.00 0.00 O ATOM 566 CB CYS A 38 120.774 -2.168 1.522 1.00 0.00 C ATOM 567 SG CYS A 38 120.084 -3.245 0.242 1.00 0.00 S ATOM 0 H CYS A 38 121.139 -3.896 3.467 1.00 0.00 H new ATOM 0 HA CYS A 38 122.731 -2.950 1.114 1.00 0.00 H new ATOM 0 HB2 CYS A 38 120.087 -2.105 2.366 1.00 0.00 H new ATOM 0 HB3 CYS A 38 120.895 -1.157 1.133 1.00 0.00 H new ATOM 572 N THR A 39 124.099 -1.488 2.697 1.00 0.00 N ATOM 573 CA THR A 39 124.817 -0.493 3.535 1.00 0.00 C ATOM 574 C THR A 39 124.859 0.855 2.818 1.00 0.00 C ATOM 575 O THR A 39 125.417 0.984 1.745 1.00 0.00 O ATOM 576 CB THR A 39 126.250 -0.979 3.785 1.00 0.00 C ATOM 577 OG1 THR A 39 126.216 -2.218 4.484 1.00 0.00 O ATOM 578 CG2 THR A 39 127.009 0.056 4.618 1.00 0.00 C ATOM 0 H THR A 39 124.678 -1.990 2.024 1.00 0.00 H new ATOM 0 HA THR A 39 124.295 -0.380 4.485 1.00 0.00 H new ATOM 0 HB THR A 39 126.756 -1.113 2.829 1.00 0.00 H new ATOM 0 HG1 THR A 39 127.132 -2.530 4.642 1.00 0.00 H new ATOM 0 HG21 THR A 39 128.027 -0.293 4.793 1.00 0.00 H new ATOM 0 HG22 THR A 39 127.038 1.004 4.081 1.00 0.00 H new ATOM 0 HG23 THR A 39 126.504 0.195 5.574 1.00 0.00 H new ATOM 586 N VAL A 40 124.291 1.863 3.419 1.00 0.00 N ATOM 587 CA VAL A 40 124.310 3.216 2.788 1.00 0.00 C ATOM 588 C VAL A 40 124.643 4.259 3.854 1.00 0.00 C ATOM 589 O VAL A 40 124.419 4.048 5.031 1.00 0.00 O ATOM 590 CB VAL A 40 122.937 3.520 2.179 1.00 0.00 C ATOM 591 CG1 VAL A 40 122.684 2.588 0.993 1.00 0.00 C ATOM 592 CG2 VAL A 40 121.850 3.303 3.235 1.00 0.00 C ATOM 0 H VAL A 40 123.814 1.810 4.319 1.00 0.00 H new ATOM 0 HA VAL A 40 125.063 3.244 2.000 1.00 0.00 H new ATOM 0 HB VAL A 40 122.915 4.555 1.839 1.00 0.00 H new ATOM 0 HG11 VAL A 40 121.707 2.806 0.561 1.00 0.00 H new ATOM 0 HG12 VAL A 40 123.456 2.741 0.239 1.00 0.00 H new ATOM 0 HG13 VAL A 40 122.708 1.552 1.332 1.00 0.00 H new ATOM 0 HG21 VAL A 40 120.873 3.519 2.802 1.00 0.00 H new ATOM 0 HG22 VAL A 40 121.875 2.268 3.575 1.00 0.00 H new ATOM 0 HG23 VAL A 40 122.027 3.967 4.081 1.00 0.00 H new ATOM 602 N LYS A 41 125.172 5.384 3.458 1.00 0.00 N ATOM 603 CA LYS A 41 125.511 6.435 4.460 1.00 0.00 C ATOM 604 C LYS A 41 124.403 7.488 4.490 1.00 0.00 C ATOM 605 O LYS A 41 124.091 8.107 3.492 1.00 0.00 O ATOM 606 CB LYS A 41 126.840 7.095 4.074 1.00 0.00 C ATOM 607 CG LYS A 41 127.999 6.316 4.698 1.00 0.00 C ATOM 608 CD LYS A 41 128.085 4.931 4.057 1.00 0.00 C ATOM 609 CE LYS A 41 129.256 4.159 4.665 1.00 0.00 C ATOM 610 NZ LYS A 41 129.316 2.795 4.067 1.00 0.00 N ATOM 0 H LYS A 41 125.384 5.621 2.489 1.00 0.00 H new ATOM 0 HA LYS A 41 125.604 5.982 5.447 1.00 0.00 H new ATOM 0 HB2 LYS A 41 126.945 7.117 2.989 1.00 0.00 H new ATOM 0 HB3 LYS A 41 126.857 8.129 4.417 1.00 0.00 H new ATOM 0 HG2 LYS A 41 128.935 6.855 4.551 1.00 0.00 H new ATOM 0 HG3 LYS A 41 127.851 6.222 5.774 1.00 0.00 H new ATOM 0 HD2 LYS A 41 127.154 4.386 4.217 1.00 0.00 H new ATOM 0 HD3 LYS A 41 128.218 5.025 2.979 1.00 0.00 H new ATOM 0 HE2 LYS A 41 130.190 4.690 4.481 1.00 0.00 H new ATOM 0 HE3 LYS A 41 129.137 4.089 5.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 129.450 2.091 4.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 128.428 2.598 3.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 130.112 2.743 3.400 1.00 0.00 H new ATOM 624 N ALA A 42 123.806 7.695 5.630 1.00 0.00 N ATOM 625 CA ALA A 42 122.716 8.707 5.729 1.00 0.00 C ATOM 626 C ALA A 42 123.296 10.040 6.205 1.00 0.00 C ATOM 627 O ALA A 42 124.396 10.102 6.717 1.00 0.00 O ATOM 628 CB ALA A 42 121.660 8.223 6.722 1.00 0.00 C ATOM 0 H ALA A 42 124.025 7.207 6.499 1.00 0.00 H new ATOM 0 HA ALA A 42 122.257 8.843 4.750 1.00 0.00 H new ATOM 0 HB1 ALA A 42 120.863 8.963 6.795 1.00 0.00 H new ATOM 0 HB2 ALA A 42 121.245 7.275 6.379 1.00 0.00 H new ATOM 0 HB3 ALA A 42 122.118 8.085 7.702 1.00 0.00 H new ATOM 634 N HIS A 43 122.566 11.111 6.037 1.00 0.00 N ATOM 635 CA HIS A 43 123.079 12.442 6.476 1.00 0.00 C ATOM 636 C HIS A 43 121.963 13.216 7.186 1.00 0.00 C ATOM 637 O HIS A 43 120.792 12.970 6.978 1.00 0.00 O ATOM 638 CB HIS A 43 123.551 13.233 5.254 1.00 0.00 C ATOM 639 CG HIS A 43 124.495 14.317 5.692 1.00 0.00 C ATOM 640 ND1 HIS A 43 125.730 14.036 6.260 1.00 0.00 N ATOM 641 CD2 HIS A 43 124.405 15.686 5.649 1.00 0.00 C ATOM 642 CE1 HIS A 43 126.328 15.210 6.534 1.00 0.00 C ATOM 643 NE2 HIS A 43 125.562 16.243 6.181 1.00 0.00 N ATOM 0 H HIS A 43 121.637 11.122 5.615 1.00 0.00 H new ATOM 0 HA HIS A 43 123.913 12.300 7.163 1.00 0.00 H new ATOM 0 HB2 HIS A 43 124.047 12.568 4.547 1.00 0.00 H new ATOM 0 HB3 HIS A 43 122.696 13.668 4.737 1.00 0.00 H new ATOM 0 HD2 HIS A 43 123.565 16.244 5.262 1.00 0.00 H new ATOM 0 HE1 HIS A 43 127.306 15.304 6.983 1.00 0.00 H new ATOM 0 HE2 HIS A 43 125.780 17.235 6.281 1.00 0.00 H new ATOM 652 N ALA A 44 122.321 14.136 8.035 1.00 0.00 N ATOM 653 CA ALA A 44 121.289 14.919 8.776 1.00 0.00 C ATOM 654 C ALA A 44 120.326 15.575 7.782 1.00 0.00 C ATOM 655 O ALA A 44 119.190 15.860 8.101 1.00 0.00 O ATOM 656 CB ALA A 44 121.983 16.005 9.610 1.00 0.00 C ATOM 0 H ALA A 44 123.287 14.382 8.250 1.00 0.00 H new ATOM 0 HA ALA A 44 120.728 14.253 9.432 1.00 0.00 H new ATOM 0 HB1 ALA A 44 121.234 16.580 10.154 1.00 0.00 H new ATOM 0 HB2 ALA A 44 122.667 15.538 10.319 1.00 0.00 H new ATOM 0 HB3 ALA A 44 122.542 16.669 8.950 1.00 0.00 H new ATOM 662 N ASN A 45 120.775 15.832 6.587 1.00 0.00 N ATOM 663 CA ASN A 45 119.885 16.481 5.581 1.00 0.00 C ATOM 664 C ASN A 45 119.357 15.427 4.606 1.00 0.00 C ATOM 665 O ASN A 45 118.343 15.614 3.965 1.00 0.00 O ATOM 666 CB ASN A 45 120.680 17.533 4.803 1.00 0.00 C ATOM 667 CG ASN A 45 121.009 18.713 5.721 1.00 0.00 C ATOM 668 OD1 ASN A 45 120.399 18.880 6.758 1.00 0.00 O ATOM 669 ND2 ASN A 45 121.955 19.546 5.381 1.00 0.00 N ATOM 0 H ASN A 45 121.719 15.622 6.261 1.00 0.00 H new ATOM 0 HA ASN A 45 119.048 16.956 6.093 1.00 0.00 H new ATOM 0 HB2 ASN A 45 121.599 17.095 4.415 1.00 0.00 H new ATOM 0 HB3 ASN A 45 120.103 17.877 3.944 1.00 0.00 H new ATOM 0 HD21 ASN A 45 122.181 20.336 5.986 1.00 0.00 H new ATOM 0 HD22 ASN A 45 122.468 19.407 4.511 1.00 0.00 H new ATOM 676 N ASP A 46 120.045 14.326 4.484 1.00 0.00 N ATOM 677 CA ASP A 46 119.597 13.264 3.541 1.00 0.00 C ATOM 678 C ASP A 46 118.396 12.517 4.128 1.00 0.00 C ATOM 679 O ASP A 46 118.371 12.186 5.296 1.00 0.00 O ATOM 680 CB ASP A 46 120.742 12.276 3.315 1.00 0.00 C ATOM 681 CG ASP A 46 121.760 12.880 2.344 1.00 0.00 C ATOM 682 OD1 ASP A 46 121.417 13.842 1.678 1.00 0.00 O ATOM 683 OD2 ASP A 46 122.867 12.370 2.287 1.00 0.00 O ATOM 0 H ASP A 46 120.900 14.116 4.998 1.00 0.00 H new ATOM 0 HA ASP A 46 119.308 13.722 2.595 1.00 0.00 H new ATOM 0 HB2 ASP A 46 121.225 12.041 4.263 1.00 0.00 H new ATOM 0 HB3 ASP A 46 120.354 11.340 2.914 1.00 0.00 H new ATOM 688 N LEU A 47 117.406 12.235 3.321 1.00 0.00 N ATOM 689 CA LEU A 47 116.220 11.491 3.831 1.00 0.00 C ATOM 690 C LEU A 47 116.560 10.002 3.869 1.00 0.00 C ATOM 691 O LEU A 47 117.317 9.516 3.051 1.00 0.00 O ATOM 692 CB LEU A 47 115.023 11.719 2.904 1.00 0.00 C ATOM 693 CG LEU A 47 114.655 13.204 2.888 1.00 0.00 C ATOM 694 CD1 LEU A 47 113.501 13.427 1.908 1.00 0.00 C ATOM 695 CD2 LEU A 47 114.221 13.640 4.291 1.00 0.00 C ATOM 0 H LEU A 47 117.369 12.488 2.334 1.00 0.00 H new ATOM 0 HA LEU A 47 115.964 11.844 4.830 1.00 0.00 H new ATOM 0 HB2 LEU A 47 115.264 11.384 1.895 1.00 0.00 H new ATOM 0 HB3 LEU A 47 114.172 11.128 3.242 1.00 0.00 H new ATOM 0 HG LEU A 47 115.520 13.790 2.578 1.00 0.00 H new ATOM 0 HD11 LEU A 47 113.235 14.484 1.893 1.00 0.00 H new ATOM 0 HD12 LEU A 47 113.807 13.116 0.909 1.00 0.00 H new ATOM 0 HD13 LEU A 47 112.638 12.840 2.223 1.00 0.00 H new ATOM 0 HD21 LEU A 47 113.959 14.698 4.278 1.00 0.00 H new ATOM 0 HD22 LEU A 47 113.355 13.055 4.602 1.00 0.00 H new ATOM 0 HD23 LEU A 47 115.040 13.477 4.992 1.00 0.00 H new ATOM 707 N ILE A 48 116.018 9.270 4.808 1.00 0.00 N ATOM 708 CA ILE A 48 116.326 7.809 4.884 1.00 0.00 C ATOM 709 C ILE A 48 115.035 6.988 4.791 1.00 0.00 C ATOM 710 O ILE A 48 113.999 7.377 5.291 1.00 0.00 O ATOM 711 CB ILE A 48 117.019 7.514 6.214 1.00 0.00 C ATOM 712 CG1 ILE A 48 116.131 7.976 7.373 1.00 0.00 C ATOM 713 CG2 ILE A 48 118.356 8.253 6.275 1.00 0.00 C ATOM 714 CD1 ILE A 48 116.733 7.512 8.703 1.00 0.00 C ATOM 0 H ILE A 48 115.378 9.618 5.522 1.00 0.00 H new ATOM 0 HA ILE A 48 116.977 7.537 4.053 1.00 0.00 H new ATOM 0 HB ILE A 48 117.193 6.441 6.295 1.00 0.00 H new ATOM 0 HG12 ILE A 48 116.040 9.062 7.363 1.00 0.00 H new ATOM 0 HG13 ILE A 48 115.126 7.571 7.257 1.00 0.00 H new ATOM 0 HG21 ILE A 48 118.847 8.040 7.225 1.00 0.00 H new ATOM 0 HG22 ILE A 48 118.993 7.921 5.455 1.00 0.00 H new ATOM 0 HG23 ILE A 48 118.183 9.326 6.189 1.00 0.00 H new ATOM 0 HD11 ILE A 48 116.098 7.843 9.525 1.00 0.00 H new ATOM 0 HD12 ILE A 48 116.801 6.424 8.712 1.00 0.00 H new ATOM 0 HD13 ILE A 48 117.729 7.938 8.820 1.00 0.00 H new ATOM 726 N GLY A 49 115.101 5.854 4.152 1.00 0.00 N ATOM 727 CA GLY A 49 113.889 4.996 4.017 1.00 0.00 C ATOM 728 C GLY A 49 114.232 3.759 3.183 1.00 0.00 C ATOM 729 O GLY A 49 115.376 3.528 2.845 1.00 0.00 O ATOM 0 H GLY A 49 115.945 5.482 3.716 1.00 0.00 H new ATOM 0 HA2 GLY A 49 113.531 4.696 5.002 1.00 0.00 H new ATOM 0 HA3 GLY A 49 113.084 5.557 3.542 1.00 0.00 H new ATOM 733 N PHE A 50 113.255 2.961 2.844 1.00 0.00 N ATOM 734 CA PHE A 50 113.540 1.746 2.025 1.00 0.00 C ATOM 735 C PHE A 50 112.225 1.125 1.547 1.00 0.00 C ATOM 736 O PHE A 50 111.154 1.488 1.995 1.00 0.00 O ATOM 737 CB PHE A 50 114.317 0.728 2.863 1.00 0.00 C ATOM 738 CG PHE A 50 113.442 0.213 3.979 1.00 0.00 C ATOM 739 CD1 PHE A 50 112.643 -0.918 3.776 1.00 0.00 C ATOM 740 CD2 PHE A 50 113.432 0.865 5.218 1.00 0.00 C ATOM 741 CE1 PHE A 50 111.833 -1.399 4.812 1.00 0.00 C ATOM 742 CE2 PHE A 50 112.622 0.385 6.254 1.00 0.00 C ATOM 743 CZ PHE A 50 111.823 -0.747 6.050 1.00 0.00 C ATOM 0 H PHE A 50 112.276 3.096 3.097 1.00 0.00 H new ATOM 0 HA PHE A 50 114.139 2.030 1.159 1.00 0.00 H new ATOM 0 HB2 PHE A 50 114.646 -0.100 2.234 1.00 0.00 H new ATOM 0 HB3 PHE A 50 115.214 1.191 3.275 1.00 0.00 H new ATOM 0 HD1 PHE A 50 112.651 -1.420 2.820 1.00 0.00 H new ATOM 0 HD2 PHE A 50 114.049 1.738 5.374 1.00 0.00 H new ATOM 0 HE1 PHE A 50 111.217 -2.272 4.656 1.00 0.00 H new ATOM 0 HE2 PHE A 50 112.613 0.887 7.210 1.00 0.00 H new ATOM 0 HZ PHE A 50 111.198 -1.117 6.849 1.00 0.00 H new ATOM 753 N LYS A 51 112.299 0.189 0.637 1.00 0.00 N ATOM 754 CA LYS A 51 111.050 -0.456 0.129 1.00 0.00 C ATOM 755 C LYS A 51 111.308 -1.942 -0.132 1.00 0.00 C ATOM 756 O LYS A 51 112.364 -2.331 -0.592 1.00 0.00 O ATOM 757 CB LYS A 51 110.618 0.226 -1.169 1.00 0.00 C ATOM 758 CG LYS A 51 109.375 -0.467 -1.728 1.00 0.00 C ATOM 759 CD LYS A 51 108.911 0.263 -2.990 1.00 0.00 C ATOM 760 CE LYS A 51 107.650 -0.409 -3.536 1.00 0.00 C ATOM 761 NZ LYS A 51 107.994 -1.763 -4.055 1.00 0.00 N ATOM 0 H LYS A 51 113.166 -0.156 0.225 1.00 0.00 H new ATOM 0 HA LYS A 51 110.260 -0.354 0.873 1.00 0.00 H new ATOM 0 HB2 LYS A 51 110.407 1.279 -0.984 1.00 0.00 H new ATOM 0 HB3 LYS A 51 111.427 0.186 -1.898 1.00 0.00 H new ATOM 0 HG2 LYS A 51 109.598 -1.509 -1.958 1.00 0.00 H new ATOM 0 HG3 LYS A 51 108.580 -0.469 -0.982 1.00 0.00 H new ATOM 0 HD2 LYS A 51 108.709 1.310 -2.763 1.00 0.00 H new ATOM 0 HD3 LYS A 51 109.699 0.247 -3.743 1.00 0.00 H new ATOM 0 HE2 LYS A 51 106.898 -0.489 -2.751 1.00 0.00 H new ATOM 0 HE3 LYS A 51 107.217 0.198 -4.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 107.129 -2.240 -4.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 108.658 -1.672 -4.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 108.435 -2.323 -3.298 1.00 0.00 H new ATOM 775 N CYS A 52 110.340 -2.778 0.152 1.00 0.00 N ATOM 776 CA CYS A 52 110.502 -4.241 -0.080 1.00 0.00 C ATOM 777 C CYS A 52 109.367 -4.722 -0.997 1.00 0.00 C ATOM 778 O CYS A 52 108.291 -4.155 -1.001 1.00 0.00 O ATOM 779 CB CYS A 52 110.409 -4.974 1.263 1.00 0.00 C ATOM 780 SG CYS A 52 111.925 -4.705 2.217 1.00 0.00 S ATOM 0 H CYS A 52 109.437 -2.503 0.538 1.00 0.00 H new ATOM 0 HA CYS A 52 111.468 -4.444 -0.543 1.00 0.00 H new ATOM 0 HB2 CYS A 52 109.547 -4.615 1.825 1.00 0.00 H new ATOM 0 HB3 CYS A 52 110.258 -6.041 1.096 1.00 0.00 H new ATOM 785 N PRO A 53 109.587 -5.765 -1.758 1.00 0.00 N ATOM 786 CA PRO A 53 108.550 -6.317 -2.679 1.00 0.00 C ATOM 787 C PRO A 53 107.221 -6.575 -1.956 1.00 0.00 C ATOM 788 O PRO A 53 107.186 -6.830 -0.771 1.00 0.00 O ATOM 789 CB PRO A 53 109.157 -7.635 -3.197 1.00 0.00 C ATOM 790 CG PRO A 53 110.372 -7.886 -2.358 1.00 0.00 C ATOM 791 CD PRO A 53 110.836 -6.531 -1.841 1.00 0.00 C ATOM 0 HA PRO A 53 108.312 -5.619 -3.482 1.00 0.00 H new ATOM 0 HB2 PRO A 53 108.444 -8.455 -3.107 1.00 0.00 H new ATOM 0 HB3 PRO A 53 109.420 -7.556 -4.252 1.00 0.00 H new ATOM 0 HG2 PRO A 53 110.139 -8.556 -1.531 1.00 0.00 H new ATOM 0 HG3 PRO A 53 111.155 -8.365 -2.945 1.00 0.00 H new ATOM 0 HD2 PRO A 53 111.324 -6.615 -0.870 1.00 0.00 H new ATOM 0 HD3 PRO A 53 111.552 -6.064 -2.518 1.00 0.00 H new ATOM 799 N SER A 54 106.129 -6.488 -2.667 1.00 0.00 N ATOM 800 CA SER A 54 104.796 -6.702 -2.033 1.00 0.00 C ATOM 801 C SER A 54 104.594 -8.179 -1.681 1.00 0.00 C ATOM 802 O SER A 54 103.684 -8.532 -0.958 1.00 0.00 O ATOM 803 CB SER A 54 103.702 -6.263 -3.005 1.00 0.00 C ATOM 804 OG SER A 54 104.042 -4.997 -3.553 1.00 0.00 O ATOM 0 H SER A 54 106.103 -6.277 -3.665 1.00 0.00 H new ATOM 0 HA SER A 54 104.746 -6.114 -1.117 1.00 0.00 H new ATOM 0 HB2 SER A 54 103.590 -6.999 -3.801 1.00 0.00 H new ATOM 0 HB3 SER A 54 102.744 -6.203 -2.489 1.00 0.00 H new ATOM 0 HG SER A 54 103.343 -4.713 -4.178 1.00 0.00 H new ATOM 810 N ASN A 55 105.421 -9.049 -2.188 1.00 0.00 N ATOM 811 CA ASN A 55 105.251 -10.499 -1.882 1.00 0.00 C ATOM 812 C ASN A 55 106.065 -10.877 -0.640 1.00 0.00 C ATOM 813 O ASN A 55 106.043 -12.004 -0.207 1.00 0.00 O ATOM 814 CB ASN A 55 105.740 -11.329 -3.071 1.00 0.00 C ATOM 815 CG ASN A 55 104.843 -11.071 -4.282 1.00 0.00 C ATOM 816 OD1 ASN A 55 103.638 -11.203 -4.200 1.00 0.00 O ATOM 817 ND2 ASN A 55 105.383 -10.702 -5.410 1.00 0.00 N ATOM 0 H ASN A 55 106.205 -8.822 -2.799 1.00 0.00 H new ATOM 0 HA ASN A 55 104.196 -10.699 -1.694 1.00 0.00 H new ATOM 0 HB2 ASN A 55 106.772 -11.070 -3.308 1.00 0.00 H new ATOM 0 HB3 ASN A 55 105.728 -12.389 -2.817 1.00 0.00 H new ATOM 0 HD21 ASN A 55 104.794 -10.524 -6.223 1.00 0.00 H new ATOM 0 HD22 ASN A 55 106.395 -10.591 -5.479 1.00 0.00 H new ATOM 824 N TYR A 56 106.771 -9.939 -0.067 1.00 0.00 N ATOM 825 CA TYR A 56 107.585 -10.243 1.152 1.00 0.00 C ATOM 826 C TYR A 56 106.936 -9.615 2.388 1.00 0.00 C ATOM 827 O TYR A 56 106.108 -8.731 2.288 1.00 0.00 O ATOM 828 CB TYR A 56 108.993 -9.696 0.960 1.00 0.00 C ATOM 829 CG TYR A 56 109.799 -10.670 0.130 1.00 0.00 C ATOM 830 CD1 TYR A 56 109.472 -10.887 -1.214 1.00 0.00 C ATOM 831 CD2 TYR A 56 110.882 -11.344 0.704 1.00 0.00 C ATOM 832 CE1 TYR A 56 110.229 -11.778 -1.983 1.00 0.00 C ATOM 833 CE2 TYR A 56 111.640 -12.236 -0.064 1.00 0.00 C ATOM 834 CZ TYR A 56 111.313 -12.453 -1.408 1.00 0.00 C ATOM 835 OH TYR A 56 112.056 -13.334 -2.165 1.00 0.00 O ATOM 0 H TYR A 56 106.821 -8.973 -0.389 1.00 0.00 H new ATOM 0 HA TYR A 56 107.633 -11.322 1.300 1.00 0.00 H new ATOM 0 HB2 TYR A 56 108.954 -8.725 0.466 1.00 0.00 H new ATOM 0 HB3 TYR A 56 109.471 -9.543 1.928 1.00 0.00 H new ATOM 0 HD1 TYR A 56 108.636 -10.367 -1.657 1.00 0.00 H new ATOM 0 HD2 TYR A 56 111.134 -11.176 1.741 1.00 0.00 H new ATOM 0 HE1 TYR A 56 109.977 -11.945 -3.020 1.00 0.00 H new ATOM 0 HE2 TYR A 56 112.476 -12.756 0.380 1.00 0.00 H new ATOM 0 HH TYR A 56 111.962 -14.239 -1.800 1.00 0.00 H new ATOM 845 N SER A 57 107.310 -10.067 3.556 1.00 0.00 N ATOM 846 CA SER A 57 106.721 -9.499 4.803 1.00 0.00 C ATOM 847 C SER A 57 107.726 -8.543 5.448 1.00 0.00 C ATOM 848 O SER A 57 108.893 -8.850 5.565 1.00 0.00 O ATOM 849 CB SER A 57 106.403 -10.634 5.777 1.00 0.00 C ATOM 850 OG SER A 57 105.489 -10.170 6.760 1.00 0.00 O ATOM 0 H SER A 57 107.999 -10.806 3.700 1.00 0.00 H new ATOM 0 HA SER A 57 105.806 -8.959 4.562 1.00 0.00 H new ATOM 0 HB2 SER A 57 105.977 -11.481 5.239 1.00 0.00 H new ATOM 0 HB3 SER A 57 107.318 -10.987 6.253 1.00 0.00 H new ATOM 0 HG SER A 57 105.981 -9.719 7.477 1.00 0.00 H new ATOM 856 N VAL A 58 107.289 -7.384 5.861 1.00 0.00 N ATOM 857 CA VAL A 58 108.236 -6.419 6.485 1.00 0.00 C ATOM 858 C VAL A 58 108.291 -6.630 8.002 1.00 0.00 C ATOM 859 O VAL A 58 107.330 -6.416 8.712 1.00 0.00 O ATOM 860 CB VAL A 58 107.789 -4.986 6.179 1.00 0.00 C ATOM 861 CG1 VAL A 58 107.436 -4.865 4.696 1.00 0.00 C ATOM 862 CG2 VAL A 58 106.561 -4.636 7.024 1.00 0.00 C ATOM 0 H VAL A 58 106.322 -7.066 5.793 1.00 0.00 H new ATOM 0 HA VAL A 58 109.231 -6.586 6.071 1.00 0.00 H new ATOM 0 HB VAL A 58 108.601 -4.299 6.418 1.00 0.00 H new ATOM 0 HG11 VAL A 58 107.118 -3.845 4.480 1.00 0.00 H new ATOM 0 HG12 VAL A 58 108.311 -5.108 4.093 1.00 0.00 H new ATOM 0 HG13 VAL A 58 106.627 -5.555 4.457 1.00 0.00 H new ATOM 0 HG21 VAL A 58 106.246 -3.616 6.803 1.00 0.00 H new ATOM 0 HG22 VAL A 58 105.750 -5.325 6.789 1.00 0.00 H new ATOM 0 HG23 VAL A 58 106.812 -4.718 8.082 1.00 0.00 H new ATOM 872 N GLU A 59 109.431 -7.033 8.495 1.00 0.00 N ATOM 873 CA GLU A 59 109.597 -7.250 9.960 1.00 0.00 C ATOM 874 C GLU A 59 110.730 -6.339 10.448 1.00 0.00 C ATOM 875 O GLU A 59 111.815 -6.364 9.897 1.00 0.00 O ATOM 876 CB GLU A 59 109.978 -8.708 10.232 1.00 0.00 C ATOM 877 CG GLU A 59 108.725 -9.586 10.228 1.00 0.00 C ATOM 878 CD GLU A 59 108.055 -9.524 8.854 1.00 0.00 C ATOM 879 OE1 GLU A 59 108.759 -9.305 7.883 1.00 0.00 O ATOM 880 OE2 GLU A 59 106.848 -9.696 8.799 1.00 0.00 O ATOM 0 H GLU A 59 110.264 -7.223 7.938 1.00 0.00 H new ATOM 0 HA GLU A 59 108.665 -7.024 10.478 1.00 0.00 H new ATOM 0 HB2 GLU A 59 110.679 -9.057 9.474 1.00 0.00 H new ATOM 0 HB3 GLU A 59 110.484 -8.787 11.194 1.00 0.00 H new ATOM 0 HG2 GLU A 59 108.990 -10.616 10.468 1.00 0.00 H new ATOM 0 HG3 GLU A 59 108.030 -9.248 10.997 1.00 0.00 H new ATOM 887 N PRO A 60 110.499 -5.533 11.452 1.00 0.00 N ATOM 888 CA PRO A 60 111.544 -4.611 11.967 1.00 0.00 C ATOM 889 C PRO A 60 112.565 -5.328 12.849 1.00 0.00 C ATOM 890 O PRO A 60 112.253 -5.773 13.929 1.00 0.00 O ATOM 891 CB PRO A 60 110.745 -3.607 12.796 1.00 0.00 C ATOM 892 CG PRO A 60 109.557 -4.366 13.282 1.00 0.00 C ATOM 893 CD PRO A 60 109.238 -5.403 12.205 1.00 0.00 C ATOM 0 HA PRO A 60 112.125 -4.161 11.162 1.00 0.00 H new ATOM 0 HB2 PRO A 60 111.336 -3.223 13.628 1.00 0.00 H new ATOM 0 HB3 PRO A 60 110.446 -2.748 12.195 1.00 0.00 H new ATOM 0 HG2 PRO A 60 109.768 -4.849 14.236 1.00 0.00 H new ATOM 0 HG3 PRO A 60 108.710 -3.700 13.443 1.00 0.00 H new ATOM 0 HD2 PRO A 60 108.935 -6.354 12.643 1.00 0.00 H new ATOM 0 HD3 PRO A 60 108.421 -5.073 11.563 1.00 0.00 H new ATOM 901 N HIS A 61 113.785 -5.428 12.403 1.00 0.00 N ATOM 902 CA HIS A 61 114.823 -6.100 13.229 1.00 0.00 C ATOM 903 C HIS A 61 115.553 -5.025 14.037 1.00 0.00 C ATOM 904 O HIS A 61 116.100 -5.277 15.088 1.00 0.00 O ATOM 905 CB HIS A 61 115.811 -6.837 12.324 1.00 0.00 C ATOM 906 CG HIS A 61 116.500 -7.920 13.110 1.00 0.00 C ATOM 907 ND1 HIS A 61 116.413 -9.259 12.752 1.00 0.00 N ATOM 908 CD2 HIS A 61 117.286 -7.884 14.235 1.00 0.00 C ATOM 909 CE1 HIS A 61 117.129 -9.965 13.646 1.00 0.00 C ATOM 910 NE2 HIS A 61 117.679 -9.172 14.568 1.00 0.00 N ATOM 0 H HIS A 61 114.108 -5.073 11.503 1.00 0.00 H new ATOM 0 HA HIS A 61 114.363 -6.827 13.898 1.00 0.00 H new ATOM 0 HB2 HIS A 61 115.287 -7.269 11.471 1.00 0.00 H new ATOM 0 HB3 HIS A 61 116.546 -6.138 11.925 1.00 0.00 H new ATOM 0 HD2 HIS A 61 117.557 -6.990 14.777 1.00 0.00 H new ATOM 0 HE1 HIS A 61 117.244 -11.039 13.621 1.00 0.00 H new ATOM 0 HE2 HIS A 61 118.266 -9.454 15.353 1.00 0.00 H new ATOM 919 N ASP A 62 115.548 -3.821 13.539 1.00 0.00 N ATOM 920 CA ASP A 62 116.219 -2.698 14.249 1.00 0.00 C ATOM 921 C ASP A 62 115.797 -1.387 13.583 1.00 0.00 C ATOM 922 O ASP A 62 116.588 -0.488 13.406 1.00 0.00 O ATOM 923 CB ASP A 62 117.739 -2.865 14.159 1.00 0.00 C ATOM 924 CG ASP A 62 118.424 -1.758 14.963 1.00 0.00 C ATOM 925 OD1 ASP A 62 117.727 -0.862 15.410 1.00 0.00 O ATOM 926 OD2 ASP A 62 119.632 -1.825 15.120 1.00 0.00 O ATOM 0 H ASP A 62 115.102 -3.564 12.659 1.00 0.00 H new ATOM 0 HA ASP A 62 115.931 -2.691 15.300 1.00 0.00 H new ATOM 0 HB2 ASP A 62 118.031 -3.842 14.544 1.00 0.00 H new ATOM 0 HB3 ASP A 62 118.059 -2.824 13.118 1.00 0.00 H new ATOM 931 N CYS A 63 114.550 -1.285 13.207 1.00 0.00 N ATOM 932 CA CYS A 63 114.057 -0.046 12.539 1.00 0.00 C ATOM 933 C CYS A 63 114.131 1.132 13.515 1.00 0.00 C ATOM 934 O CYS A 63 114.948 1.142 14.415 1.00 0.00 O ATOM 935 CB CYS A 63 112.612 -0.257 12.083 1.00 0.00 C ATOM 936 SG CYS A 63 112.565 -1.564 10.830 1.00 0.00 S ATOM 0 H CYS A 63 113.847 -2.013 13.335 1.00 0.00 H new ATOM 0 HA CYS A 63 114.680 0.174 11.672 1.00 0.00 H new ATOM 0 HB2 CYS A 63 111.986 -0.529 12.933 1.00 0.00 H new ATOM 0 HB3 CYS A 63 112.209 0.669 11.674 1.00 0.00 H new ATOM 941 N PHE A 64 113.305 2.136 13.336 1.00 0.00 N ATOM 942 CA PHE A 64 113.358 3.316 14.257 1.00 0.00 C ATOM 943 C PHE A 64 112.102 3.393 15.141 1.00 0.00 C ATOM 944 O PHE A 64 112.199 3.371 16.352 1.00 0.00 O ATOM 945 CB PHE A 64 113.499 4.599 13.434 1.00 0.00 C ATOM 946 CG PHE A 64 112.608 4.536 12.219 1.00 0.00 C ATOM 947 CD1 PHE A 64 113.013 3.815 11.089 1.00 0.00 C ATOM 948 CD2 PHE A 64 111.378 5.203 12.220 1.00 0.00 C ATOM 949 CE1 PHE A 64 112.187 3.760 9.960 1.00 0.00 C ATOM 950 CE2 PHE A 64 110.551 5.149 11.090 1.00 0.00 C ATOM 951 CZ PHE A 64 110.956 4.428 9.961 1.00 0.00 C ATOM 0 H PHE A 64 112.602 2.190 12.599 1.00 0.00 H new ATOM 0 HA PHE A 64 114.221 3.202 14.913 1.00 0.00 H new ATOM 0 HB2 PHE A 64 113.234 5.463 14.044 1.00 0.00 H new ATOM 0 HB3 PHE A 64 114.537 4.731 13.127 1.00 0.00 H new ATOM 0 HD1 PHE A 64 113.963 3.301 11.088 1.00 0.00 H new ATOM 0 HD2 PHE A 64 111.066 5.759 13.092 1.00 0.00 H new ATOM 0 HE1 PHE A 64 112.499 3.203 9.089 1.00 0.00 H new ATOM 0 HE2 PHE A 64 109.601 5.664 11.090 1.00 0.00 H new ATOM 0 HZ PHE A 64 110.319 4.387 9.090 1.00 0.00 H new ATOM 961 N VAL A 65 110.931 3.491 14.567 1.00 0.00 N ATOM 962 CA VAL A 65 109.706 3.582 15.425 1.00 0.00 C ATOM 963 C VAL A 65 109.798 2.526 16.527 1.00 0.00 C ATOM 964 O VAL A 65 110.062 2.834 17.672 1.00 0.00 O ATOM 965 CB VAL A 65 108.449 3.335 14.584 1.00 0.00 C ATOM 966 CG1 VAL A 65 107.269 3.024 15.509 1.00 0.00 C ATOM 967 CG2 VAL A 65 108.128 4.585 13.762 1.00 0.00 C ATOM 0 H VAL A 65 110.768 3.512 13.560 1.00 0.00 H new ATOM 0 HA VAL A 65 109.643 4.578 15.863 1.00 0.00 H new ATOM 0 HB VAL A 65 108.623 2.492 13.915 1.00 0.00 H new ATOM 0 HG11 VAL A 65 106.375 2.848 14.911 1.00 0.00 H new ATOM 0 HG12 VAL A 65 107.493 2.134 16.098 1.00 0.00 H new ATOM 0 HG13 VAL A 65 107.099 3.868 16.178 1.00 0.00 H new ATOM 0 HG21 VAL A 65 107.234 4.408 13.164 1.00 0.00 H new ATOM 0 HG22 VAL A 65 107.955 5.427 14.432 1.00 0.00 H new ATOM 0 HG23 VAL A 65 108.966 4.812 13.103 1.00 0.00 H new ATOM 977 N SER A 66 109.605 1.283 16.179 1.00 0.00 N ATOM 978 CA SER A 66 109.697 0.193 17.191 1.00 0.00 C ATOM 979 C SER A 66 110.484 -0.962 16.576 1.00 0.00 C ATOM 980 O SER A 66 110.236 -1.358 15.455 1.00 0.00 O ATOM 981 CB SER A 66 108.293 -0.283 17.571 1.00 0.00 C ATOM 982 OG SER A 66 108.391 -1.262 18.596 1.00 0.00 O ATOM 0 H SER A 66 109.386 0.974 15.232 1.00 0.00 H new ATOM 0 HA SER A 66 110.197 0.555 18.089 1.00 0.00 H new ATOM 0 HB2 SER A 66 107.691 0.559 17.913 1.00 0.00 H new ATOM 0 HB3 SER A 66 107.790 -0.701 16.699 1.00 0.00 H new ATOM 0 HG SER A 66 107.493 -1.568 18.843 1.00 0.00 H new ATOM 988 N ALA A 67 111.441 -1.501 17.281 1.00 0.00 N ATOM 989 CA ALA A 67 112.237 -2.616 16.695 1.00 0.00 C ATOM 990 C ALA A 67 113.196 -3.200 17.744 1.00 0.00 C ATOM 991 O ALA A 67 113.218 -2.779 18.881 1.00 0.00 O ATOM 992 CB ALA A 67 113.052 -2.077 15.519 1.00 0.00 C ATOM 0 H ALA A 67 111.704 -1.222 18.226 1.00 0.00 H new ATOM 0 HA ALA A 67 111.559 -3.401 16.361 1.00 0.00 H new ATOM 0 HB1 ALA A 67 113.639 -2.885 15.082 1.00 0.00 H new ATOM 0 HB2 ALA A 67 112.378 -1.670 14.765 1.00 0.00 H new ATOM 0 HB3 ALA A 67 113.721 -1.291 15.870 1.00 0.00 H new ATOM 998 N PHE A 68 113.975 -4.171 17.352 1.00 0.00 N ATOM 999 CA PHE A 68 114.931 -4.799 18.307 1.00 0.00 C ATOM 1000 C PHE A 68 116.279 -4.085 18.182 1.00 0.00 C ATOM 1001 O PHE A 68 116.838 -3.987 17.108 1.00 0.00 O ATOM 1002 CB PHE A 68 115.106 -6.279 17.965 1.00 0.00 C ATOM 1003 CG PHE A 68 113.755 -6.926 17.751 1.00 0.00 C ATOM 1004 CD1 PHE A 68 113.039 -6.677 16.575 1.00 0.00 C ATOM 1005 CD2 PHE A 68 113.225 -7.784 18.723 1.00 0.00 C ATOM 1006 CE1 PHE A 68 111.794 -7.285 16.368 1.00 0.00 C ATOM 1007 CE2 PHE A 68 111.979 -8.390 18.517 1.00 0.00 C ATOM 1008 CZ PHE A 68 111.264 -8.139 17.337 1.00 0.00 C ATOM 0 H PHE A 68 113.990 -4.557 16.408 1.00 0.00 H new ATOM 0 HA PHE A 68 114.551 -4.713 19.325 1.00 0.00 H new ATOM 0 HB2 PHE A 68 115.714 -6.383 17.067 1.00 0.00 H new ATOM 0 HB3 PHE A 68 115.637 -6.786 18.770 1.00 0.00 H new ATOM 0 HD1 PHE A 68 113.447 -6.015 15.826 1.00 0.00 H new ATOM 0 HD2 PHE A 68 113.777 -7.978 19.631 1.00 0.00 H new ATOM 0 HE1 PHE A 68 111.244 -7.093 15.459 1.00 0.00 H new ATOM 0 HE2 PHE A 68 111.569 -9.050 19.267 1.00 0.00 H new ATOM 0 HZ PHE A 68 110.303 -8.606 17.178 1.00 0.00 H new ATOM 1018 N ASN A 69 116.799 -3.569 19.261 1.00 0.00 N ATOM 1019 CA ASN A 69 118.103 -2.849 19.186 1.00 0.00 C ATOM 1020 C ASN A 69 119.231 -3.844 18.909 1.00 0.00 C ATOM 1021 O ASN A 69 119.001 -5.014 18.693 1.00 0.00 O ATOM 1022 CB ASN A 69 118.371 -2.133 20.510 1.00 0.00 C ATOM 1023 CG ASN A 69 117.430 -0.933 20.642 1.00 0.00 C ATOM 1024 OD1 ASN A 69 116.876 -0.470 19.664 1.00 0.00 O ATOM 1025 ND2 ASN A 69 117.225 -0.407 21.818 1.00 0.00 N ATOM 0 H ASN A 69 116.379 -3.614 20.190 1.00 0.00 H new ATOM 0 HA ASN A 69 118.061 -2.118 18.378 1.00 0.00 H new ATOM 0 HB2 ASN A 69 118.221 -2.819 21.343 1.00 0.00 H new ATOM 0 HB3 ASN A 69 119.408 -1.801 20.553 1.00 0.00 H new ATOM 0 HD21 ASN A 69 116.600 0.393 21.917 1.00 0.00 H new ATOM 0 HD22 ASN A 69 117.690 -0.796 22.639 1.00 0.00 H new ATOM 1032 N LEU A 70 120.451 -3.383 18.913 1.00 0.00 N ATOM 1033 CA LEU A 70 121.596 -4.297 18.649 1.00 0.00 C ATOM 1034 C LEU A 70 121.640 -5.365 19.743 1.00 0.00 C ATOM 1035 O LEU A 70 122.165 -6.445 19.552 1.00 0.00 O ATOM 1036 CB LEU A 70 122.904 -3.499 18.653 1.00 0.00 C ATOM 1037 CG LEU A 70 122.787 -2.318 17.686 1.00 0.00 C ATOM 1038 CD1 LEU A 70 124.090 -1.516 17.696 1.00 0.00 C ATOM 1039 CD2 LEU A 70 122.522 -2.835 16.271 1.00 0.00 C ATOM 0 H LEU A 70 120.704 -2.411 19.088 1.00 0.00 H new ATOM 0 HA LEU A 70 121.473 -4.772 17.676 1.00 0.00 H new ATOM 0 HB2 LEU A 70 123.119 -3.139 19.659 1.00 0.00 H new ATOM 0 HB3 LEU A 70 123.735 -4.141 18.360 1.00 0.00 H new ATOM 0 HG LEU A 70 121.962 -1.678 18.000 1.00 0.00 H new ATOM 0 HD11 LEU A 70 124.005 -0.676 17.007 1.00 0.00 H new ATOM 0 HD12 LEU A 70 124.280 -1.143 18.702 1.00 0.00 H new ATOM 0 HD13 LEU A 70 124.915 -2.158 17.386 1.00 0.00 H new ATOM 0 HD21 LEU A 70 122.439 -1.992 15.585 1.00 0.00 H new ATOM 0 HD22 LEU A 70 123.345 -3.478 15.958 1.00 0.00 H new ATOM 0 HD23 LEU A 70 121.593 -3.404 16.260 1.00 0.00 H new ATOM 1051 N SER A 71 121.081 -5.076 20.888 1.00 0.00 N ATOM 1052 CA SER A 71 121.074 -6.078 21.991 1.00 0.00 C ATOM 1053 C SER A 71 119.924 -7.059 21.759 1.00 0.00 C ATOM 1054 O SER A 71 119.788 -8.049 22.450 1.00 0.00 O ATOM 1055 CB SER A 71 120.868 -5.363 23.327 1.00 0.00 C ATOM 1056 OG SER A 71 119.581 -4.757 23.342 1.00 0.00 O ATOM 0 H SER A 71 120.629 -4.188 21.106 1.00 0.00 H new ATOM 0 HA SER A 71 122.023 -6.614 22.011 1.00 0.00 H new ATOM 0 HB2 SER A 71 120.958 -6.072 24.150 1.00 0.00 H new ATOM 0 HB3 SER A 71 121.640 -4.607 23.471 1.00 0.00 H new ATOM 0 HG SER A 71 119.505 -4.170 24.123 1.00 0.00 H new ATOM 1062 N GLY A 72 119.098 -6.788 20.784 1.00 0.00 N ATOM 1063 CA GLY A 72 117.955 -7.695 20.491 1.00 0.00 C ATOM 1064 C GLY A 72 116.785 -7.355 21.416 1.00 0.00 C ATOM 1065 O GLY A 72 115.855 -8.123 21.562 1.00 0.00 O ATOM 0 H GLY A 72 119.168 -5.972 20.176 1.00 0.00 H new ATOM 0 HA2 GLY A 72 117.651 -7.590 19.449 1.00 0.00 H new ATOM 0 HA3 GLY A 72 118.255 -8.733 20.633 1.00 0.00 H new ATOM 1069 N LYS A 73 116.825 -6.209 22.040 1.00 0.00 N ATOM 1070 CA LYS A 73 115.712 -5.818 22.954 1.00 0.00 C ATOM 1071 C LYS A 73 114.720 -4.938 22.189 1.00 0.00 C ATOM 1072 O LYS A 73 115.107 -4.085 21.417 1.00 0.00 O ATOM 1073 CB LYS A 73 116.288 -5.035 24.140 1.00 0.00 C ATOM 1074 CG LYS A 73 117.370 -5.867 24.835 1.00 0.00 C ATOM 1075 CD LYS A 73 116.717 -6.978 25.665 1.00 0.00 C ATOM 1076 CE LYS A 73 117.796 -7.752 26.423 1.00 0.00 C ATOM 1077 NZ LYS A 73 117.155 -8.810 27.252 1.00 0.00 N ATOM 0 H LYS A 73 117.579 -5.527 21.957 1.00 0.00 H new ATOM 0 HA LYS A 73 115.200 -6.708 23.320 1.00 0.00 H new ATOM 0 HB2 LYS A 73 116.709 -4.091 23.794 1.00 0.00 H new ATOM 0 HB3 LYS A 73 115.494 -4.791 24.846 1.00 0.00 H new ATOM 0 HG2 LYS A 73 118.041 -6.301 24.093 1.00 0.00 H new ATOM 0 HG3 LYS A 73 117.976 -5.228 25.478 1.00 0.00 H new ATOM 0 HD2 LYS A 73 116.002 -6.549 26.367 1.00 0.00 H new ATOM 0 HD3 LYS A 73 116.160 -7.653 25.015 1.00 0.00 H new ATOM 0 HE2 LYS A 73 118.499 -8.201 25.721 1.00 0.00 H new ATOM 0 HE3 LYS A 73 118.368 -7.074 27.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 117.887 -9.338 27.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 116.501 -8.370 27.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 116.628 -9.462 26.636 1.00 0.00 H new ATOM 1091 N ASN A 74 113.445 -5.145 22.387 1.00 0.00 N ATOM 1092 CA ASN A 74 112.437 -4.328 21.651 1.00 0.00 C ATOM 1093 C ASN A 74 112.238 -2.982 22.350 1.00 0.00 C ATOM 1094 O ASN A 74 111.652 -2.903 23.412 1.00 0.00 O ATOM 1095 CB ASN A 74 111.105 -5.083 21.608 1.00 0.00 C ATOM 1096 CG ASN A 74 110.099 -4.295 20.765 1.00 0.00 C ATOM 1097 OD1 ASN A 74 110.289 -3.123 20.513 1.00 0.00 O ATOM 1098 ND2 ASN A 74 109.029 -4.894 20.314 1.00 0.00 N ATOM 0 H ASN A 74 113.059 -5.842 23.024 1.00 0.00 H new ATOM 0 HA ASN A 74 112.793 -4.151 20.636 1.00 0.00 H new ATOM 0 HB2 ASN A 74 111.251 -6.077 21.184 1.00 0.00 H new ATOM 0 HB3 ASN A 74 110.720 -5.221 22.618 1.00 0.00 H new ATOM 0 HD21 ASN A 74 108.354 -4.377 19.751 1.00 0.00 H new ATOM 0 HD22 ASN A 74 108.869 -5.879 20.525 1.00 0.00 H new ATOM 1105 N GLU A 75 112.718 -1.921 21.756 1.00 0.00 N ATOM 1106 CA GLU A 75 112.559 -0.577 22.377 1.00 0.00 C ATOM 1107 C GLU A 75 112.371 0.484 21.291 1.00 0.00 C ATOM 1108 O GLU A 75 112.944 0.406 20.220 1.00 0.00 O ATOM 1109 CB GLU A 75 113.819 -0.238 23.184 1.00 0.00 C ATOM 1110 CG GLU A 75 113.950 -1.197 24.370 1.00 0.00 C ATOM 1111 CD GLU A 75 112.759 -1.010 25.312 1.00 0.00 C ATOM 1112 OE1 GLU A 75 112.134 0.037 25.244 1.00 0.00 O ATOM 1113 OE2 GLU A 75 112.491 -1.916 26.082 1.00 0.00 O ATOM 0 H GLU A 75 113.214 -1.930 20.865 1.00 0.00 H new ATOM 0 HA GLU A 75 111.686 -0.590 23.029 1.00 0.00 H new ATOM 0 HB2 GLU A 75 114.700 -0.311 22.547 1.00 0.00 H new ATOM 0 HB3 GLU A 75 113.768 0.791 23.541 1.00 0.00 H new ATOM 0 HG2 GLU A 75 113.989 -2.227 24.016 1.00 0.00 H new ATOM 0 HG3 GLU A 75 114.882 -1.008 24.903 1.00 0.00 H new ATOM 1120 N ASN A 76 111.551 1.471 21.544 1.00 0.00 N ATOM 1121 CA ASN A 76 111.319 2.526 20.518 1.00 0.00 C ATOM 1122 C ASN A 76 112.616 3.293 20.273 1.00 0.00 C ATOM 1123 O ASN A 76 113.439 3.420 21.153 1.00 0.00 O ATOM 1124 CB ASN A 76 110.234 3.494 21.018 1.00 0.00 C ATOM 1125 CG ASN A 76 108.842 2.921 20.720 1.00 0.00 C ATOM 1126 OD1 ASN A 76 108.719 1.809 20.250 1.00 0.00 O ATOM 1127 ND2 ASN A 76 107.783 3.645 20.967 1.00 0.00 N ATOM 0 H ASN A 76 111.034 1.590 22.415 1.00 0.00 H new ATOM 0 HA ASN A 76 110.992 2.063 19.587 1.00 0.00 H new ATOM 0 HB2 ASN A 76 110.347 3.658 22.090 1.00 0.00 H new ATOM 0 HB3 ASN A 76 110.349 4.464 20.533 1.00 0.00 H new ATOM 0 HD21 ASN A 76 106.854 3.275 20.765 1.00 0.00 H new ATOM 0 HD22 ASN A 76 107.885 4.580 21.362 1.00 0.00 H new ATOM 1134 N LEU A 77 112.810 3.790 19.082 1.00 0.00 N ATOM 1135 CA LEU A 77 114.067 4.545 18.777 1.00 0.00 C ATOM 1136 C LEU A 77 113.803 6.056 18.857 1.00 0.00 C ATOM 1137 O LEU A 77 114.645 6.859 18.512 1.00 0.00 O ATOM 1138 CB LEU A 77 114.548 4.183 17.368 1.00 0.00 C ATOM 1139 CG LEU A 77 116.038 4.509 17.219 1.00 0.00 C ATOM 1140 CD1 LEU A 77 116.864 3.594 18.136 1.00 0.00 C ATOM 1141 CD2 LEU A 77 116.463 4.286 15.766 1.00 0.00 C ATOM 0 H LEU A 77 112.155 3.708 18.305 1.00 0.00 H new ATOM 0 HA LEU A 77 114.832 4.278 19.506 1.00 0.00 H new ATOM 0 HB2 LEU A 77 114.379 3.123 17.179 1.00 0.00 H new ATOM 0 HB3 LEU A 77 113.971 4.735 16.626 1.00 0.00 H new ATOM 0 HG LEU A 77 116.209 5.549 17.497 1.00 0.00 H new ATOM 0 HD11 LEU A 77 117.923 3.829 18.027 1.00 0.00 H new ATOM 0 HD12 LEU A 77 116.563 3.749 19.172 1.00 0.00 H new ATOM 0 HD13 LEU A 77 116.693 2.553 17.861 1.00 0.00 H new ATOM 0 HD21 LEU A 77 117.523 4.517 15.657 1.00 0.00 H new ATOM 0 HD22 LEU A 77 116.289 3.246 15.491 1.00 0.00 H new ATOM 0 HD23 LEU A 77 115.881 4.936 15.113 1.00 0.00 H new ATOM 1153 N GLU A 78 112.634 6.447 19.290 1.00 0.00 N ATOM 1154 CA GLU A 78 112.323 7.905 19.365 1.00 0.00 C ATOM 1155 C GLU A 78 113.154 8.559 20.470 1.00 0.00 C ATOM 1156 O GLU A 78 113.666 9.649 20.308 1.00 0.00 O ATOM 1157 CB GLU A 78 110.830 8.100 19.645 1.00 0.00 C ATOM 1158 CG GLU A 78 110.493 7.607 21.051 1.00 0.00 C ATOM 1159 CD GLU A 78 108.982 7.695 21.272 1.00 0.00 C ATOM 1160 OE1 GLU A 78 108.373 8.592 20.712 1.00 0.00 O ATOM 1161 OE2 GLU A 78 108.459 6.864 21.996 1.00 0.00 O ATOM 0 H GLU A 78 111.885 5.825 19.593 1.00 0.00 H new ATOM 0 HA GLU A 78 112.571 8.375 18.413 1.00 0.00 H new ATOM 0 HB2 GLU A 78 110.568 9.154 19.548 1.00 0.00 H new ATOM 0 HB3 GLU A 78 110.239 7.555 18.908 1.00 0.00 H new ATOM 0 HG2 GLU A 78 110.831 6.579 21.178 1.00 0.00 H new ATOM 0 HG3 GLU A 78 111.016 8.209 21.794 1.00 0.00 H new ATOM 1168 N ASN A 79 113.296 7.906 21.589 1.00 0.00 N ATOM 1169 CA ASN A 79 114.098 8.501 22.694 1.00 0.00 C ATOM 1170 C ASN A 79 115.546 8.673 22.225 1.00 0.00 C ATOM 1171 O ASN A 79 116.267 9.525 22.704 1.00 0.00 O ATOM 1172 CB ASN A 79 114.062 7.572 23.909 1.00 0.00 C ATOM 1173 CG ASN A 79 114.669 6.219 23.537 1.00 0.00 C ATOM 1174 OD1 ASN A 79 114.922 5.953 22.378 1.00 0.00 O ATOM 1175 ND2 ASN A 79 114.921 5.346 24.474 1.00 0.00 N ATOM 0 H ASN A 79 112.893 6.990 21.786 1.00 0.00 H new ATOM 0 HA ASN A 79 113.683 9.470 22.969 1.00 0.00 H new ATOM 0 HB2 ASN A 79 114.617 8.016 24.736 1.00 0.00 H new ATOM 0 HB3 ASN A 79 113.035 7.440 24.249 1.00 0.00 H new ATOM 0 HD21 ASN A 79 115.329 4.443 24.233 1.00 0.00 H new ATOM 0 HD22 ASN A 79 114.710 5.567 25.447 1.00 0.00 H new ATOM 1182 N LYS A 80 115.969 7.873 21.285 1.00 0.00 N ATOM 1183 CA LYS A 80 117.364 7.989 20.771 1.00 0.00 C ATOM 1184 C LYS A 80 117.418 9.063 19.682 1.00 0.00 C ATOM 1185 O LYS A 80 118.291 9.909 19.670 1.00 0.00 O ATOM 1186 CB LYS A 80 117.799 6.644 20.184 1.00 0.00 C ATOM 1187 CG LYS A 80 119.243 6.737 19.683 1.00 0.00 C ATOM 1188 CD LYS A 80 119.690 5.374 19.148 1.00 0.00 C ATOM 1189 CE LYS A 80 121.139 5.463 18.663 1.00 0.00 C ATOM 1190 NZ LYS A 80 121.584 4.127 18.174 1.00 0.00 N ATOM 0 H LYS A 80 115.407 7.142 20.849 1.00 0.00 H new ATOM 0 HA LYS A 80 118.033 8.266 21.586 1.00 0.00 H new ATOM 0 HB2 LYS A 80 117.717 5.864 20.940 1.00 0.00 H new ATOM 0 HB3 LYS A 80 117.138 6.364 19.364 1.00 0.00 H new ATOM 0 HG2 LYS A 80 119.318 7.490 18.898 1.00 0.00 H new ATOM 0 HG3 LYS A 80 119.900 7.054 20.493 1.00 0.00 H new ATOM 0 HD2 LYS A 80 119.603 4.619 19.929 1.00 0.00 H new ATOM 0 HD3 LYS A 80 119.041 5.062 18.330 1.00 0.00 H new ATOM 0 HE2 LYS A 80 121.221 6.200 17.864 1.00 0.00 H new ATOM 0 HE3 LYS A 80 121.785 5.799 19.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 122.598 4.006 18.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 121.046 3.382 18.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 121.419 4.060 17.149 1.00 0.00 H new ATOM 1204 N LEU A 81 116.487 9.033 18.767 1.00 0.00 N ATOM 1205 CA LEU A 81 116.469 10.043 17.671 1.00 0.00 C ATOM 1206 C LEU A 81 115.058 10.622 17.542 1.00 0.00 C ATOM 1207 O LEU A 81 114.093 9.894 17.410 1.00 0.00 O ATOM 1208 CB LEU A 81 116.867 9.364 16.359 1.00 0.00 C ATOM 1209 CG LEU A 81 116.992 10.408 15.247 1.00 0.00 C ATOM 1210 CD1 LEU A 81 118.153 11.358 15.556 1.00 0.00 C ATOM 1211 CD2 LEU A 81 117.254 9.699 13.917 1.00 0.00 C ATOM 0 H LEU A 81 115.733 8.347 18.732 1.00 0.00 H new ATOM 0 HA LEU A 81 117.171 10.846 17.894 1.00 0.00 H new ATOM 0 HB2 LEU A 81 117.814 8.839 16.484 1.00 0.00 H new ATOM 0 HB3 LEU A 81 116.122 8.617 16.086 1.00 0.00 H new ATOM 0 HG LEU A 81 116.067 10.981 15.183 1.00 0.00 H new ATOM 0 HD11 LEU A 81 118.238 12.099 14.761 1.00 0.00 H new ATOM 0 HD12 LEU A 81 117.968 11.862 16.504 1.00 0.00 H new ATOM 0 HD13 LEU A 81 119.081 10.789 15.622 1.00 0.00 H new ATOM 0 HD21 LEU A 81 117.344 10.439 13.122 1.00 0.00 H new ATOM 0 HD22 LEU A 81 118.179 9.126 13.986 1.00 0.00 H new ATOM 0 HD23 LEU A 81 116.426 9.026 13.694 1.00 0.00 H new ATOM 1223 N LYS A 82 114.924 11.919 17.568 1.00 0.00 N ATOM 1224 CA LYS A 82 113.569 12.526 17.436 1.00 0.00 C ATOM 1225 C LYS A 82 113.200 12.623 15.952 1.00 0.00 C ATOM 1226 O LYS A 82 113.381 13.647 15.322 1.00 0.00 O ATOM 1227 CB LYS A 82 113.572 13.924 18.060 1.00 0.00 C ATOM 1228 CG LYS A 82 113.739 13.804 19.577 1.00 0.00 C ATOM 1229 CD LYS A 82 113.750 15.200 20.204 1.00 0.00 C ATOM 1230 CE LYS A 82 113.850 15.074 21.726 1.00 0.00 C ATOM 1231 NZ LYS A 82 115.145 14.430 22.088 1.00 0.00 N ATOM 0 H LYS A 82 115.691 12.583 17.675 1.00 0.00 H new ATOM 0 HA LYS A 82 112.837 11.904 17.952 1.00 0.00 H new ATOM 0 HB2 LYS A 82 114.382 14.520 17.640 1.00 0.00 H new ATOM 0 HB3 LYS A 82 112.641 14.441 17.825 1.00 0.00 H new ATOM 0 HG2 LYS A 82 112.926 13.212 19.997 1.00 0.00 H new ATOM 0 HG3 LYS A 82 114.667 13.282 19.811 1.00 0.00 H new ATOM 0 HD2 LYS A 82 114.592 15.776 19.820 1.00 0.00 H new ATOM 0 HD3 LYS A 82 112.843 15.740 19.932 1.00 0.00 H new ATOM 0 HE2 LYS A 82 113.780 16.059 22.188 1.00 0.00 H new ATOM 0 HE3 LYS A 82 113.018 14.482 22.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 115.356 14.614 23.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 115.078 13.404 21.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 115.905 14.822 21.496 1.00 0.00 H new ATOM 1245 N LEU A 83 112.691 11.561 15.388 1.00 0.00 N ATOM 1246 CA LEU A 83 112.316 11.582 13.945 1.00 0.00 C ATOM 1247 C LEU A 83 111.011 12.360 13.751 1.00 0.00 C ATOM 1248 O LEU A 83 110.137 12.346 14.594 1.00 0.00 O ATOM 1249 CB LEU A 83 112.126 10.147 13.448 1.00 0.00 C ATOM 1250 CG LEU A 83 113.469 9.414 13.450 1.00 0.00 C ATOM 1251 CD1 LEU A 83 113.248 7.945 13.080 1.00 0.00 C ATOM 1252 CD2 LEU A 83 114.411 10.061 12.428 1.00 0.00 C ATOM 0 H LEU A 83 112.518 10.677 15.866 1.00 0.00 H new ATOM 0 HA LEU A 83 113.110 12.068 13.379 1.00 0.00 H new ATOM 0 HB2 LEU A 83 111.415 9.623 14.086 1.00 0.00 H new ATOM 0 HB3 LEU A 83 111.707 10.154 12.442 1.00 0.00 H new ATOM 0 HG LEU A 83 113.914 9.478 14.443 1.00 0.00 H new ATOM 0 HD11 LEU A 83 114.204 7.422 13.081 1.00 0.00 H new ATOM 0 HD12 LEU A 83 112.581 7.483 13.808 1.00 0.00 H new ATOM 0 HD13 LEU A 83 112.802 7.883 12.088 1.00 0.00 H new ATOM 0 HD21 LEU A 83 115.367 9.537 12.431 1.00 0.00 H new ATOM 0 HD22 LEU A 83 113.967 10.000 11.434 1.00 0.00 H new ATOM 0 HD23 LEU A 83 114.570 11.107 12.691 1.00 0.00 H new ATOM 1264 N THR A 84 110.880 13.035 12.640 1.00 0.00 N ATOM 1265 CA THR A 84 109.633 13.817 12.378 1.00 0.00 C ATOM 1266 C THR A 84 109.072 13.431 11.008 1.00 0.00 C ATOM 1267 O THR A 84 109.772 12.892 10.174 1.00 0.00 O ATOM 1268 CB THR A 84 109.954 15.314 12.392 1.00 0.00 C ATOM 1269 OG1 THR A 84 110.808 15.624 11.299 1.00 0.00 O ATOM 1270 CG2 THR A 84 110.650 15.682 13.704 1.00 0.00 C ATOM 0 H THR A 84 111.582 13.080 11.901 1.00 0.00 H new ATOM 0 HA THR A 84 108.897 13.597 13.151 1.00 0.00 H new ATOM 0 HB THR A 84 109.028 15.882 12.305 1.00 0.00 H new ATOM 0 HG1 THR A 84 111.013 16.582 11.306 1.00 0.00 H new ATOM 0 HG21 THR A 84 110.876 16.748 13.709 1.00 0.00 H new ATOM 0 HG22 THR A 84 109.994 15.446 14.542 1.00 0.00 H new ATOM 0 HG23 THR A 84 111.576 15.114 13.797 1.00 0.00 H new ATOM 1278 N ASN A 85 107.818 13.701 10.768 1.00 0.00 N ATOM 1279 CA ASN A 85 107.219 13.353 9.447 1.00 0.00 C ATOM 1280 C ASN A 85 107.437 11.866 9.162 1.00 0.00 C ATOM 1281 O ASN A 85 107.922 11.488 8.114 1.00 0.00 O ATOM 1282 CB ASN A 85 107.880 14.187 8.348 1.00 0.00 C ATOM 1283 CG ASN A 85 107.504 15.659 8.527 1.00 0.00 C ATOM 1284 OD1 ASN A 85 106.541 15.975 9.198 1.00 0.00 O ATOM 1285 ND2 ASN A 85 108.228 16.579 7.951 1.00 0.00 N ATOM 0 H ASN A 85 107.182 14.147 11.429 1.00 0.00 H new ATOM 0 HA ASN A 85 106.150 13.565 9.468 1.00 0.00 H new ATOM 0 HB2 ASN A 85 108.963 14.070 8.390 1.00 0.00 H new ATOM 0 HB3 ASN A 85 107.559 13.835 7.367 1.00 0.00 H new ATOM 0 HD21 ASN A 85 107.986 17.563 8.064 1.00 0.00 H new ATOM 0 HD22 ASN A 85 109.036 16.314 7.388 1.00 0.00 H new ATOM 1292 N ILE A 86 107.093 11.019 10.094 1.00 0.00 N ATOM 1293 CA ILE A 86 107.288 9.555 9.887 1.00 0.00 C ATOM 1294 C ILE A 86 106.185 9.006 8.974 1.00 0.00 C ATOM 1295 O ILE A 86 105.009 9.212 9.208 1.00 0.00 O ATOM 1296 CB ILE A 86 107.239 8.852 11.245 1.00 0.00 C ATOM 1297 CG1 ILE A 86 108.407 9.341 12.107 1.00 0.00 C ATOM 1298 CG2 ILE A 86 107.348 7.340 11.047 1.00 0.00 C ATOM 1299 CD1 ILE A 86 108.221 8.860 13.546 1.00 0.00 C ATOM 0 H ILE A 86 106.684 11.278 10.992 1.00 0.00 H new ATOM 0 HA ILE A 86 108.254 9.375 9.415 1.00 0.00 H new ATOM 0 HB ILE A 86 106.295 9.081 11.740 1.00 0.00 H new ATOM 0 HG12 ILE A 86 109.349 8.966 11.707 1.00 0.00 H new ATOM 0 HG13 ILE A 86 108.460 10.429 12.081 1.00 0.00 H new ATOM 0 HG21 ILE A 86 107.313 6.843 12.016 1.00 0.00 H new ATOM 0 HG22 ILE A 86 106.519 6.993 10.431 1.00 0.00 H new ATOM 0 HG23 ILE A 86 108.291 7.105 10.553 1.00 0.00 H new ATOM 0 HD11 ILE A 86 109.053 9.209 14.157 1.00 0.00 H new ATOM 0 HD12 ILE A 86 107.287 9.257 13.944 1.00 0.00 H new ATOM 0 HD13 ILE A 86 108.190 7.771 13.564 1.00 0.00 H new ATOM 1311 N ILE A 87 106.563 8.300 7.937 1.00 0.00 N ATOM 1312 CA ILE A 87 105.549 7.725 6.998 1.00 0.00 C ATOM 1313 C ILE A 87 105.671 6.199 6.997 1.00 0.00 C ATOM 1314 O ILE A 87 106.705 5.659 6.652 1.00 0.00 O ATOM 1315 CB ILE A 87 105.817 8.246 5.582 1.00 0.00 C ATOM 1316 CG1 ILE A 87 105.758 9.779 5.566 1.00 0.00 C ATOM 1317 CG2 ILE A 87 104.770 7.684 4.619 1.00 0.00 C ATOM 1318 CD1 ILE A 87 104.415 10.256 6.124 1.00 0.00 C ATOM 0 H ILE A 87 107.534 8.096 7.699 1.00 0.00 H new ATOM 0 HA ILE A 87 104.549 8.018 7.317 1.00 0.00 H new ATOM 0 HB ILE A 87 106.810 7.923 5.268 1.00 0.00 H new ATOM 0 HG12 ILE A 87 106.575 10.189 6.160 1.00 0.00 H new ATOM 0 HG13 ILE A 87 105.889 10.146 4.548 1.00 0.00 H new ATOM 0 HG21 ILE A 87 104.964 8.057 3.613 1.00 0.00 H new ATOM 0 HG22 ILE A 87 104.823 6.595 4.619 1.00 0.00 H new ATOM 0 HG23 ILE A 87 103.776 7.999 4.938 1.00 0.00 H new ATOM 0 HD11 ILE A 87 104.381 11.345 6.109 1.00 0.00 H new ATOM 0 HD12 ILE A 87 103.605 9.859 5.512 1.00 0.00 H new ATOM 0 HD13 ILE A 87 104.301 9.903 7.149 1.00 0.00 H new ATOM 1330 N MET A 88 104.631 5.496 7.377 1.00 0.00 N ATOM 1331 CA MET A 88 104.711 4.000 7.391 1.00 0.00 C ATOM 1332 C MET A 88 103.595 3.412 6.520 1.00 0.00 C ATOM 1333 O MET A 88 102.437 3.429 6.885 1.00 0.00 O ATOM 1334 CB MET A 88 104.558 3.492 8.827 1.00 0.00 C ATOM 1335 CG MET A 88 105.623 4.137 9.716 1.00 0.00 C ATOM 1336 SD MET A 88 105.428 3.554 11.419 1.00 0.00 S ATOM 1337 CE MET A 88 106.099 1.890 11.175 1.00 0.00 C ATOM 0 H MET A 88 103.738 5.888 7.676 1.00 0.00 H new ATOM 0 HA MET A 88 105.678 3.689 6.995 1.00 0.00 H new ATOM 0 HB2 MET A 88 103.563 3.730 9.203 1.00 0.00 H new ATOM 0 HB3 MET A 88 104.657 2.407 8.852 1.00 0.00 H new ATOM 0 HG2 MET A 88 106.618 3.888 9.347 1.00 0.00 H new ATOM 0 HG3 MET A 88 105.532 5.223 9.680 1.00 0.00 H new ATOM 0 HE1 MET A 88 106.533 1.532 12.109 1.00 0.00 H new ATOM 0 HE2 MET A 88 105.299 1.217 10.865 1.00 0.00 H new ATOM 0 HE3 MET A 88 106.869 1.918 10.404 1.00 0.00 H new ATOM 1347 N ASP A 89 103.942 2.877 5.378 1.00 0.00 N ATOM 1348 CA ASP A 89 102.910 2.268 4.483 1.00 0.00 C ATOM 1349 C ASP A 89 103.161 0.759 4.392 1.00 0.00 C ATOM 1350 O ASP A 89 104.035 0.304 3.674 1.00 0.00 O ATOM 1351 CB ASP A 89 103.013 2.891 3.090 1.00 0.00 C ATOM 1352 CG ASP A 89 102.491 4.328 3.131 1.00 0.00 C ATOM 1353 OD1 ASP A 89 101.853 4.679 4.110 1.00 0.00 O ATOM 1354 OD2 ASP A 89 102.735 5.054 2.181 1.00 0.00 O ATOM 0 H ASP A 89 104.898 2.835 5.025 1.00 0.00 H new ATOM 0 HA ASP A 89 101.914 2.452 4.885 1.00 0.00 H new ATOM 0 HB2 ASP A 89 104.049 2.879 2.751 1.00 0.00 H new ATOM 0 HB3 ASP A 89 102.437 2.304 2.375 1.00 0.00 H new ATOM 1359 N HIS A 90 102.400 -0.026 5.104 1.00 0.00 N ATOM 1360 CA HIS A 90 102.598 -1.504 5.058 1.00 0.00 C ATOM 1361 C HIS A 90 102.129 -2.069 3.713 1.00 0.00 C ATOM 1362 O HIS A 90 102.711 -2.997 3.187 1.00 0.00 O ATOM 1363 CB HIS A 90 101.807 -2.158 6.192 1.00 0.00 C ATOM 1364 CG HIS A 90 102.421 -1.782 7.511 1.00 0.00 C ATOM 1365 ND1 HIS A 90 103.564 -2.402 7.999 1.00 0.00 N ATOM 1366 CD2 HIS A 90 102.065 -0.853 8.459 1.00 0.00 C ATOM 1367 CE1 HIS A 90 103.852 -1.843 9.189 1.00 0.00 C ATOM 1368 NE2 HIS A 90 102.970 -0.896 9.513 1.00 0.00 N ATOM 0 H HIS A 90 101.649 0.292 5.716 1.00 0.00 H new ATOM 0 HA HIS A 90 103.660 -1.720 5.175 1.00 0.00 H new ATOM 0 HB2 HIS A 90 100.766 -1.835 6.158 1.00 0.00 H new ATOM 0 HB3 HIS A 90 101.809 -3.242 6.073 1.00 0.00 H new ATOM 0 HD2 HIS A 90 101.214 -0.192 8.395 1.00 0.00 H new ATOM 0 HE1 HIS A 90 104.693 -2.126 9.805 1.00 0.00 H new ATOM 0 HE2 HIS A 90 102.962 -0.324 10.357 1.00 0.00 H new ATOM 1377 N TYR A 91 101.079 -1.532 3.155 1.00 0.00 N ATOM 1378 CA TYR A 91 100.582 -2.061 1.851 1.00 0.00 C ATOM 1379 C TYR A 91 101.671 -1.902 0.788 1.00 0.00 C ATOM 1380 O TYR A 91 101.941 -2.808 0.024 1.00 0.00 O ATOM 1381 CB TYR A 91 99.329 -1.296 1.422 1.00 0.00 C ATOM 1382 CG TYR A 91 98.894 -1.782 0.060 1.00 0.00 C ATOM 1383 CD1 TYR A 91 98.267 -3.026 -0.073 1.00 0.00 C ATOM 1384 CD2 TYR A 91 99.119 -0.987 -1.070 1.00 0.00 C ATOM 1385 CE1 TYR A 91 97.865 -3.477 -1.337 1.00 0.00 C ATOM 1386 CE2 TYR A 91 98.716 -1.437 -2.333 1.00 0.00 C ATOM 1387 CZ TYR A 91 98.090 -2.682 -2.467 1.00 0.00 C ATOM 1388 OH TYR A 91 97.695 -3.125 -3.712 1.00 0.00 O ATOM 0 H TYR A 91 100.545 -0.754 3.542 1.00 0.00 H new ATOM 0 HA TYR A 91 100.334 -3.116 1.963 1.00 0.00 H new ATOM 0 HB2 TYR A 91 98.530 -1.447 2.148 1.00 0.00 H new ATOM 0 HB3 TYR A 91 99.534 -0.226 1.391 1.00 0.00 H new ATOM 0 HD1 TYR A 91 98.093 -3.639 0.799 1.00 0.00 H new ATOM 0 HD2 TYR A 91 99.603 -0.027 -0.968 1.00 0.00 H new ATOM 0 HE1 TYR A 91 97.382 -4.437 -1.440 1.00 0.00 H new ATOM 0 HE2 TYR A 91 98.888 -0.823 -3.205 1.00 0.00 H new ATOM 0 HH TYR A 91 97.925 -2.452 -4.387 1.00 0.00 H new ATOM 1398 N ASN A 92 102.303 -0.760 0.733 1.00 0.00 N ATOM 1399 CA ASN A 92 103.377 -0.557 -0.280 1.00 0.00 C ATOM 1400 C ASN A 92 104.713 -1.012 0.310 1.00 0.00 C ATOM 1401 O ASN A 92 105.722 -1.049 -0.366 1.00 0.00 O ATOM 1402 CB ASN A 92 103.454 0.924 -0.655 1.00 0.00 C ATOM 1403 CG ASN A 92 102.245 1.298 -1.513 1.00 0.00 C ATOM 1404 OD1 ASN A 92 101.606 0.440 -2.088 1.00 0.00 O ATOM 1405 ND2 ASN A 92 101.901 2.552 -1.623 1.00 0.00 N ATOM 0 H ASN A 92 102.123 0.037 1.343 1.00 0.00 H new ATOM 0 HA ASN A 92 103.156 -1.140 -1.174 1.00 0.00 H new ATOM 0 HB2 ASN A 92 103.477 1.537 0.246 1.00 0.00 H new ATOM 0 HB3 ASN A 92 104.376 1.124 -1.201 1.00 0.00 H new ATOM 0 HD21 ASN A 92 101.095 2.812 -2.192 1.00 0.00 H new ATOM 0 HD22 ASN A 92 102.438 3.272 -1.140 1.00 0.00 H new ATOM 1412 N ASN A 93 104.718 -1.378 1.564 1.00 0.00 N ATOM 1413 CA ASN A 93 105.977 -1.857 2.201 1.00 0.00 C ATOM 1414 C ASN A 93 107.085 -0.818 2.024 1.00 0.00 C ATOM 1415 O ASN A 93 108.191 -1.140 1.633 1.00 0.00 O ATOM 1416 CB ASN A 93 106.404 -3.177 1.552 1.00 0.00 C ATOM 1417 CG ASN A 93 105.432 -4.286 1.963 1.00 0.00 C ATOM 1418 OD1 ASN A 93 104.715 -4.153 2.935 1.00 0.00 O ATOM 1419 ND2 ASN A 93 105.376 -5.383 1.257 1.00 0.00 N ATOM 0 H ASN A 93 103.902 -1.365 2.175 1.00 0.00 H new ATOM 0 HA ASN A 93 105.803 -2.010 3.266 1.00 0.00 H new ATOM 0 HB2 ASN A 93 106.417 -3.074 0.467 1.00 0.00 H new ATOM 0 HB3 ASN A 93 107.417 -3.435 1.860 1.00 0.00 H new ATOM 0 HD21 ASN A 93 104.731 -6.127 1.522 1.00 0.00 H new ATOM 0 HD22 ASN A 93 105.977 -5.496 0.441 1.00 0.00 H new ATOM 1426 N THR A 94 106.806 0.432 2.306 1.00 0.00 N ATOM 1427 CA THR A 94 107.853 1.487 2.154 1.00 0.00 C ATOM 1428 C THR A 94 107.885 2.363 3.408 1.00 0.00 C ATOM 1429 O THR A 94 106.857 2.727 3.947 1.00 0.00 O ATOM 1430 CB THR A 94 107.532 2.353 0.931 1.00 0.00 C ATOM 1431 OG1 THR A 94 108.411 3.468 0.904 1.00 0.00 O ATOM 1432 CG2 THR A 94 106.087 2.842 1.013 1.00 0.00 C ATOM 0 H THR A 94 105.900 0.765 2.634 1.00 0.00 H new ATOM 0 HA THR A 94 108.826 1.015 2.019 1.00 0.00 H new ATOM 0 HB THR A 94 107.660 1.764 0.023 1.00 0.00 H new ATOM 0 HG1 THR A 94 107.934 4.252 0.561 1.00 0.00 H new ATOM 0 HG21 THR A 94 105.861 3.458 0.142 1.00 0.00 H new ATOM 0 HG22 THR A 94 105.414 1.985 1.036 1.00 0.00 H new ATOM 0 HG23 THR A 94 105.954 3.433 1.919 1.00 0.00 H new ATOM 1440 N PHE A 95 109.058 2.690 3.886 1.00 0.00 N ATOM 1441 CA PHE A 95 109.154 3.534 5.118 1.00 0.00 C ATOM 1442 C PHE A 95 110.046 4.750 4.851 1.00 0.00 C ATOM 1443 O PHE A 95 111.075 4.646 4.211 1.00 0.00 O ATOM 1444 CB PHE A 95 109.765 2.698 6.246 1.00 0.00 C ATOM 1445 CG PHE A 95 108.892 1.493 6.510 1.00 0.00 C ATOM 1446 CD1 PHE A 95 109.034 0.342 5.727 1.00 0.00 C ATOM 1447 CD2 PHE A 95 107.943 1.528 7.538 1.00 0.00 C ATOM 1448 CE1 PHE A 95 108.225 -0.775 5.971 1.00 0.00 C ATOM 1449 CE2 PHE A 95 107.135 0.411 7.783 1.00 0.00 C ATOM 1450 CZ PHE A 95 107.276 -0.740 6.999 1.00 0.00 C ATOM 0 H PHE A 95 109.951 2.411 3.480 1.00 0.00 H new ATOM 0 HA PHE A 95 108.159 3.877 5.401 1.00 0.00 H new ATOM 0 HB2 PHE A 95 110.771 2.379 5.973 1.00 0.00 H new ATOM 0 HB3 PHE A 95 109.856 3.299 7.150 1.00 0.00 H new ATOM 0 HD1 PHE A 95 109.767 0.315 4.935 1.00 0.00 H new ATOM 0 HD2 PHE A 95 107.834 2.416 8.142 1.00 0.00 H new ATOM 0 HE1 PHE A 95 108.333 -1.663 5.366 1.00 0.00 H new ATOM 0 HE2 PHE A 95 106.403 0.438 8.577 1.00 0.00 H new ATOM 0 HZ PHE A 95 106.652 -1.601 7.187 1.00 0.00 H new ATOM 1460 N TYR A 96 109.664 5.904 5.341 1.00 0.00 N ATOM 1461 CA TYR A 96 110.493 7.128 5.122 1.00 0.00 C ATOM 1462 C TYR A 96 110.602 7.912 6.435 1.00 0.00 C ATOM 1463 O TYR A 96 109.678 7.947 7.225 1.00 0.00 O ATOM 1464 CB TYR A 96 109.822 8.034 4.082 1.00 0.00 C ATOM 1465 CG TYR A 96 109.556 7.272 2.806 1.00 0.00 C ATOM 1466 CD1 TYR A 96 110.563 7.142 1.842 1.00 0.00 C ATOM 1467 CD2 TYR A 96 108.295 6.708 2.580 1.00 0.00 C ATOM 1468 CE1 TYR A 96 110.309 6.446 0.654 1.00 0.00 C ATOM 1469 CE2 TYR A 96 108.039 6.015 1.393 1.00 0.00 C ATOM 1470 CZ TYR A 96 109.046 5.883 0.430 1.00 0.00 C ATOM 1471 OH TYR A 96 108.794 5.199 -0.743 1.00 0.00 O ATOM 0 H TYR A 96 108.813 6.050 5.884 1.00 0.00 H new ATOM 0 HA TYR A 96 111.480 6.825 4.774 1.00 0.00 H new ATOM 0 HB2 TYR A 96 108.886 8.423 4.481 1.00 0.00 H new ATOM 0 HB3 TYR A 96 110.461 8.892 3.873 1.00 0.00 H new ATOM 0 HD1 TYR A 96 111.536 7.579 2.015 1.00 0.00 H new ATOM 0 HD2 TYR A 96 107.518 6.808 3.324 1.00 0.00 H new ATOM 0 HE1 TYR A 96 111.086 6.343 -0.089 1.00 0.00 H new ATOM 0 HE2 TYR A 96 107.065 5.582 1.219 1.00 0.00 H new ATOM 0 HH TYR A 96 109.037 4.256 -0.631 1.00 0.00 H new ATOM 1481 N SER A 97 111.717 8.551 6.670 1.00 0.00 N ATOM 1482 CA SER A 97 111.875 9.341 7.924 1.00 0.00 C ATOM 1483 C SER A 97 112.840 10.504 7.670 1.00 0.00 C ATOM 1484 O SER A 97 113.720 10.421 6.830 1.00 0.00 O ATOM 1485 CB SER A 97 112.434 8.448 9.034 1.00 0.00 C ATOM 1486 OG SER A 97 112.521 9.198 10.239 1.00 0.00 O ATOM 0 H SER A 97 112.525 8.560 6.047 1.00 0.00 H new ATOM 0 HA SER A 97 110.904 9.728 8.232 1.00 0.00 H new ATOM 0 HB2 SER A 97 111.790 7.580 9.178 1.00 0.00 H new ATOM 0 HB3 SER A 97 113.418 8.072 8.754 1.00 0.00 H new ATOM 0 HG SER A 97 111.821 9.883 10.249 1.00 0.00 H new ATOM 1492 N ARG A 98 112.682 11.592 8.380 1.00 0.00 N ATOM 1493 CA ARG A 98 113.593 12.758 8.165 1.00 0.00 C ATOM 1494 C ARG A 98 114.654 12.789 9.275 1.00 0.00 C ATOM 1495 O ARG A 98 114.349 12.650 10.442 1.00 0.00 O ATOM 1496 CB ARG A 98 112.780 14.059 8.202 1.00 0.00 C ATOM 1497 CG ARG A 98 111.759 14.069 7.060 1.00 0.00 C ATOM 1498 CD ARG A 98 111.003 15.396 7.066 1.00 0.00 C ATOM 1499 NE ARG A 98 109.851 15.310 6.108 1.00 0.00 N ATOM 1500 CZ ARG A 98 110.038 15.064 4.843 1.00 0.00 C ATOM 1501 NH1 ARG A 98 111.245 15.046 4.347 1.00 0.00 N ATOM 1502 NH2 ARG A 98 109.011 14.874 4.059 1.00 0.00 N ATOM 0 H ARG A 98 111.967 11.724 9.095 1.00 0.00 H new ATOM 0 HA ARG A 98 114.081 12.662 7.195 1.00 0.00 H new ATOM 0 HB2 ARG A 98 112.268 14.151 9.160 1.00 0.00 H new ATOM 0 HB3 ARG A 98 113.446 14.917 8.113 1.00 0.00 H new ATOM 0 HG2 ARG A 98 112.265 13.930 6.104 1.00 0.00 H new ATOM 0 HG3 ARG A 98 111.061 13.240 7.174 1.00 0.00 H new ATOM 0 HD2 ARG A 98 110.641 15.618 8.070 1.00 0.00 H new ATOM 0 HD3 ARG A 98 111.670 16.210 6.780 1.00 0.00 H new ATOM 0 HE ARG A 98 108.902 15.447 6.455 1.00 0.00 H new ATOM 0 HH11 ARG A 98 112.047 15.225 4.951 1.00 0.00 H new ATOM 0 HH12 ARG A 98 111.386 14.853 3.355 1.00 0.00 H new ATOM 0 HH21 ARG A 98 108.065 14.918 4.438 1.00 0.00 H new ATOM 0 HH22 ARG A 98 109.155 14.681 3.068 1.00 0.00 H new ATOM 1516 N LEU A 99 115.894 12.966 8.912 1.00 0.00 N ATOM 1517 CA LEU A 99 116.982 13.005 9.927 1.00 0.00 C ATOM 1518 C LEU A 99 117.220 14.450 10.377 1.00 0.00 C ATOM 1519 O LEU A 99 117.256 15.350 9.560 1.00 0.00 O ATOM 1520 CB LEU A 99 118.279 12.476 9.303 1.00 0.00 C ATOM 1521 CG LEU A 99 118.227 10.953 9.167 1.00 0.00 C ATOM 1522 CD1 LEU A 99 119.540 10.459 8.556 1.00 0.00 C ATOM 1523 CD2 LEU A 99 118.041 10.314 10.550 1.00 0.00 C ATOM 0 H LEU A 99 116.202 13.086 7.947 1.00 0.00 H new ATOM 0 HA LEU A 99 116.692 12.391 10.780 1.00 0.00 H new ATOM 0 HB2 LEU A 99 118.429 12.929 8.323 1.00 0.00 H new ATOM 0 HB3 LEU A 99 119.130 12.763 9.921 1.00 0.00 H new ATOM 0 HG LEU A 99 117.390 10.675 8.526 1.00 0.00 H new ATOM 0 HD11 LEU A 99 119.509 9.374 8.456 1.00 0.00 H new ATOM 0 HD12 LEU A 99 119.676 10.910 7.573 1.00 0.00 H new ATOM 0 HD13 LEU A 99 120.371 10.741 9.203 1.00 0.00 H new ATOM 0 HD21 LEU A 99 118.005 9.229 10.448 1.00 0.00 H new ATOM 0 HD22 LEU A 99 118.876 10.590 11.194 1.00 0.00 H new ATOM 0 HD23 LEU A 99 117.110 10.668 10.992 1.00 0.00 H new ATOM 1535 N PRO A 100 117.412 14.683 11.655 1.00 0.00 N ATOM 1536 CA PRO A 100 117.685 16.049 12.171 1.00 0.00 C ATOM 1537 C PRO A 100 118.731 16.765 11.313 1.00 0.00 C ATOM 1538 O PRO A 100 119.254 16.207 10.373 1.00 0.00 O ATOM 1539 CB PRO A 100 118.220 15.806 13.581 1.00 0.00 C ATOM 1540 CG PRO A 100 117.626 14.508 14.011 1.00 0.00 C ATOM 1541 CD PRO A 100 117.385 13.687 12.742 1.00 0.00 C ATOM 0 HA PRO A 100 116.800 16.685 12.155 1.00 0.00 H new ATOM 0 HB2 PRO A 100 119.309 15.761 13.586 1.00 0.00 H new ATOM 0 HB3 PRO A 100 117.932 16.613 14.255 1.00 0.00 H new ATOM 0 HG2 PRO A 100 118.298 13.982 14.689 1.00 0.00 H new ATOM 0 HG3 PRO A 100 116.692 14.670 14.549 1.00 0.00 H new ATOM 0 HD2 PRO A 100 118.156 12.929 12.606 1.00 0.00 H new ATOM 0 HD3 PRO A 100 116.428 13.166 12.781 1.00 0.00 H new ATOM 1549 N SER A 101 119.037 17.990 11.622 1.00 0.00 N ATOM 1550 CA SER A 101 120.047 18.725 10.812 1.00 0.00 C ATOM 1551 C SER A 101 121.446 18.489 11.387 1.00 0.00 C ATOM 1552 O SER A 101 122.438 18.864 10.793 1.00 0.00 O ATOM 1553 CB SER A 101 119.731 20.220 10.839 1.00 0.00 C ATOM 1554 OG SER A 101 119.871 20.706 12.168 1.00 0.00 O ATOM 0 H SER A 101 118.634 18.515 12.398 1.00 0.00 H new ATOM 0 HA SER A 101 120.016 18.363 9.784 1.00 0.00 H new ATOM 0 HB2 SER A 101 120.403 20.758 10.170 1.00 0.00 H new ATOM 0 HB3 SER A 101 118.717 20.396 10.480 1.00 0.00 H new ATOM 0 HG SER A 101 119.671 21.665 12.188 1.00 0.00 H new ATOM 1560 N LEU A 102 121.536 17.892 12.547 1.00 0.00 N ATOM 1561 CA LEU A 102 122.876 17.659 13.166 1.00 0.00 C ATOM 1562 C LEU A 102 122.977 16.223 13.686 1.00 0.00 C ATOM 1563 O LEU A 102 122.141 15.762 14.438 1.00 0.00 O ATOM 1564 CB LEU A 102 123.058 18.639 14.326 1.00 0.00 C ATOM 1565 CG LEU A 102 124.409 18.403 15.002 1.00 0.00 C ATOM 1566 CD1 LEU A 102 125.534 18.546 13.974 1.00 0.00 C ATOM 1567 CD2 LEU A 102 124.603 19.437 16.114 1.00 0.00 C ATOM 0 H LEU A 102 120.742 17.556 13.092 1.00 0.00 H new ATOM 0 HA LEU A 102 123.654 17.814 12.418 1.00 0.00 H new ATOM 0 HB2 LEU A 102 122.999 19.664 13.960 1.00 0.00 H new ATOM 0 HB3 LEU A 102 122.253 18.513 15.050 1.00 0.00 H new ATOM 0 HG LEU A 102 124.433 17.398 15.424 1.00 0.00 H new ATOM 0 HD11 LEU A 102 126.495 18.377 14.460 1.00 0.00 H new ATOM 0 HD12 LEU A 102 125.396 17.813 13.179 1.00 0.00 H new ATOM 0 HD13 LEU A 102 125.514 19.550 13.550 1.00 0.00 H new ATOM 0 HD21 LEU A 102 125.565 19.273 16.599 1.00 0.00 H new ATOM 0 HD22 LEU A 102 124.578 20.440 15.687 1.00 0.00 H new ATOM 0 HD23 LEU A 102 123.804 19.336 16.849 1.00 0.00 H new ATOM 1579 N ILE A 103 124.013 15.516 13.308 1.00 0.00 N ATOM 1580 CA ILE A 103 124.194 14.117 13.793 1.00 0.00 C ATOM 1581 C ILE A 103 125.694 13.810 13.857 1.00 0.00 C ATOM 1582 O ILE A 103 126.341 13.630 12.844 1.00 0.00 O ATOM 1583 CB ILE A 103 123.516 13.132 12.835 1.00 0.00 C ATOM 1584 CG1 ILE A 103 122.010 13.404 12.799 1.00 0.00 C ATOM 1585 CG2 ILE A 103 123.761 11.698 13.317 1.00 0.00 C ATOM 1586 CD1 ILE A 103 121.336 12.430 11.834 1.00 0.00 C ATOM 0 H ILE A 103 124.744 15.852 12.681 1.00 0.00 H new ATOM 0 HA ILE A 103 123.743 14.014 14.780 1.00 0.00 H new ATOM 0 HB ILE A 103 123.932 13.258 11.835 1.00 0.00 H new ATOM 0 HG12 ILE A 103 121.586 13.294 13.797 1.00 0.00 H new ATOM 0 HG13 ILE A 103 121.823 14.431 12.485 1.00 0.00 H new ATOM 0 HG21 ILE A 103 123.279 10.998 12.635 1.00 0.00 H new ATOM 0 HG22 ILE A 103 124.833 11.501 13.342 1.00 0.00 H new ATOM 0 HG23 ILE A 103 123.346 11.575 14.317 1.00 0.00 H new ATOM 0 HD11 ILE A 103 120.264 12.625 11.810 1.00 0.00 H new ATOM 0 HD12 ILE A 103 121.751 12.562 10.835 1.00 0.00 H new ATOM 0 HD13 ILE A 103 121.511 11.407 12.168 1.00 0.00 H new ATOM 1598 N SER A 104 126.256 13.753 15.036 1.00 0.00 N ATOM 1599 CA SER A 104 127.717 13.465 15.155 1.00 0.00 C ATOM 1600 C SER A 104 127.923 12.049 15.698 1.00 0.00 C ATOM 1601 O SER A 104 129.038 11.604 15.885 1.00 0.00 O ATOM 1602 CB SER A 104 128.355 14.474 16.110 1.00 0.00 C ATOM 1603 OG SER A 104 127.847 14.266 17.420 1.00 0.00 O ATOM 0 H SER A 104 125.768 13.893 15.921 1.00 0.00 H new ATOM 0 HA SER A 104 128.182 13.544 14.172 1.00 0.00 H new ATOM 0 HB2 SER A 104 129.439 14.361 16.106 1.00 0.00 H new ATOM 0 HB3 SER A 104 128.139 15.490 15.781 1.00 0.00 H new ATOM 0 HG SER A 104 128.255 14.910 18.035 1.00 0.00 H new ATOM 1609 N ASP A 105 126.859 11.339 15.956 1.00 0.00 N ATOM 1610 CA ASP A 105 126.997 9.954 16.490 1.00 0.00 C ATOM 1611 C ASP A 105 127.198 8.965 15.338 1.00 0.00 C ATOM 1612 O ASP A 105 126.785 9.202 14.224 1.00 0.00 O ATOM 1613 CB ASP A 105 125.737 9.583 17.274 1.00 0.00 C ATOM 1614 CG ASP A 105 125.783 10.229 18.660 1.00 0.00 C ATOM 1615 OD1 ASP A 105 126.850 10.664 19.057 1.00 0.00 O ATOM 1616 OD2 ASP A 105 124.747 10.269 19.305 1.00 0.00 O ATOM 0 H ASP A 105 125.900 11.658 15.820 1.00 0.00 H new ATOM 0 HA ASP A 105 127.863 9.909 17.150 1.00 0.00 H new ATOM 0 HB2 ASP A 105 124.850 9.918 16.736 1.00 0.00 H new ATOM 0 HB3 ASP A 105 125.662 8.500 17.369 1.00 0.00 H new ATOM 1621 N ASN A 106 127.824 7.852 15.611 1.00 0.00 N ATOM 1622 CA ASN A 106 128.052 6.832 14.546 1.00 0.00 C ATOM 1623 C ASN A 106 127.042 5.694 14.717 1.00 0.00 C ATOM 1624 O ASN A 106 127.330 4.550 14.434 1.00 0.00 O ATOM 1625 CB ASN A 106 129.468 6.266 14.673 1.00 0.00 C ATOM 1626 CG ASN A 106 130.490 7.330 14.267 1.00 0.00 C ATOM 1627 OD1 ASN A 106 130.155 8.295 13.610 1.00 0.00 O ATOM 1628 ND2 ASN A 106 131.736 7.189 14.634 1.00 0.00 N ATOM 0 H ASN A 106 128.189 7.604 16.530 1.00 0.00 H new ATOM 0 HA ASN A 106 127.930 7.295 13.567 1.00 0.00 H new ATOM 0 HB2 ASN A 106 129.651 5.946 15.699 1.00 0.00 H new ATOM 0 HB3 ASN A 106 129.576 5.385 14.040 1.00 0.00 H new ATOM 0 HD21 ASN A 106 132.428 7.890 14.369 1.00 0.00 H new ATOM 0 HD22 ASN A 106 132.017 6.378 15.186 1.00 0.00 H new ATOM 1635 N TRP A 107 125.874 5.994 15.205 1.00 0.00 N ATOM 1636 CA TRP A 107 124.857 4.924 15.427 1.00 0.00 C ATOM 1637 C TRP A 107 124.395 4.338 14.091 1.00 0.00 C ATOM 1638 O TRP A 107 124.545 4.938 13.045 1.00 0.00 O ATOM 1639 CB TRP A 107 123.652 5.502 16.175 1.00 0.00 C ATOM 1640 CG TRP A 107 123.006 6.574 15.355 1.00 0.00 C ATOM 1641 CD1 TRP A 107 123.536 7.793 15.109 1.00 0.00 C ATOM 1642 CD2 TRP A 107 121.711 6.555 14.686 1.00 0.00 C ATOM 1643 NE1 TRP A 107 122.662 8.517 14.327 1.00 0.00 N ATOM 1644 CE2 TRP A 107 121.519 7.800 14.037 1.00 0.00 C ATOM 1645 CE3 TRP A 107 120.696 5.587 14.576 1.00 0.00 C ATOM 1646 CZ2 TRP A 107 120.364 8.073 13.310 1.00 0.00 C ATOM 1647 CZ3 TRP A 107 119.530 5.862 13.843 1.00 0.00 C ATOM 1648 CH2 TRP A 107 119.365 7.101 13.212 1.00 0.00 C ATOM 0 H TRP A 107 125.576 6.935 15.461 1.00 0.00 H new ATOM 0 HA TRP A 107 125.311 4.131 16.021 1.00 0.00 H new ATOM 0 HB2 TRP A 107 122.932 4.712 16.387 1.00 0.00 H new ATOM 0 HB3 TRP A 107 123.970 5.909 17.135 1.00 0.00 H new ATOM 0 HD1 TRP A 107 124.492 8.144 15.468 1.00 0.00 H new ATOM 0 HE1 TRP A 107 122.839 9.468 14.002 1.00 0.00 H new ATOM 0 HE3 TRP A 107 120.814 4.628 15.058 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 120.241 9.030 12.825 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 118.756 5.113 13.766 1.00 0.00 H new ATOM 0 HH2 TRP A 107 118.466 7.305 12.650 1.00 0.00 H new ATOM 1659 N LYS A 108 123.834 3.159 14.133 1.00 0.00 N ATOM 1660 CA LYS A 108 123.351 2.500 12.888 1.00 0.00 C ATOM 1661 C LYS A 108 122.045 1.768 13.192 1.00 0.00 C ATOM 1662 O LYS A 108 121.756 1.442 14.328 1.00 0.00 O ATOM 1663 CB LYS A 108 124.401 1.495 12.404 1.00 0.00 C ATOM 1664 CG LYS A 108 124.523 0.352 13.414 1.00 0.00 C ATOM 1665 CD LYS A 108 125.649 -0.592 12.986 1.00 0.00 C ATOM 1666 CE LYS A 108 125.729 -1.770 13.960 1.00 0.00 C ATOM 1667 NZ LYS A 108 126.121 -1.274 15.310 1.00 0.00 N ATOM 0 H LYS A 108 123.689 2.620 14.987 1.00 0.00 H new ATOM 0 HA LYS A 108 123.184 3.247 12.112 1.00 0.00 H new ATOM 0 HB2 LYS A 108 124.119 1.102 11.427 1.00 0.00 H new ATOM 0 HB3 LYS A 108 125.364 1.991 12.282 1.00 0.00 H new ATOM 0 HG2 LYS A 108 124.727 0.751 14.408 1.00 0.00 H new ATOM 0 HG3 LYS A 108 123.581 -0.193 13.477 1.00 0.00 H new ATOM 0 HD2 LYS A 108 125.468 -0.955 11.974 1.00 0.00 H new ATOM 0 HD3 LYS A 108 126.599 -0.057 12.968 1.00 0.00 H new ATOM 0 HE2 LYS A 108 124.766 -2.278 14.013 1.00 0.00 H new ATOM 0 HE3 LYS A 108 126.455 -2.501 13.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 126.208 -2.078 15.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 127.033 -0.779 15.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 125.395 -0.618 15.663 1.00 0.00 H new ATOM 1681 N PHE A 109 121.254 1.487 12.191 1.00 0.00 N ATOM 1682 CA PHE A 109 119.977 0.755 12.441 1.00 0.00 C ATOM 1683 C PHE A 109 119.585 0.002 11.164 1.00 0.00 C ATOM 1684 O PHE A 109 120.088 0.285 10.092 1.00 0.00 O ATOM 1685 CB PHE A 109 118.878 1.746 12.831 1.00 0.00 C ATOM 1686 CG PHE A 109 118.390 2.493 11.613 1.00 0.00 C ATOM 1687 CD1 PHE A 109 117.396 1.929 10.802 1.00 0.00 C ATOM 1688 CD2 PHE A 109 118.919 3.750 11.300 1.00 0.00 C ATOM 1689 CE1 PHE A 109 116.932 2.623 9.680 1.00 0.00 C ATOM 1690 CE2 PHE A 109 118.456 4.442 10.176 1.00 0.00 C ATOM 1691 CZ PHE A 109 117.462 3.879 9.365 1.00 0.00 C ATOM 0 H PHE A 109 121.434 1.730 11.217 1.00 0.00 H new ATOM 0 HA PHE A 109 120.107 0.046 13.258 1.00 0.00 H new ATOM 0 HB2 PHE A 109 118.048 1.214 13.297 1.00 0.00 H new ATOM 0 HB3 PHE A 109 119.260 2.451 13.570 1.00 0.00 H new ATOM 0 HD1 PHE A 109 116.988 0.958 11.043 1.00 0.00 H new ATOM 0 HD2 PHE A 109 119.684 4.186 11.926 1.00 0.00 H new ATOM 0 HE1 PHE A 109 116.164 2.189 9.056 1.00 0.00 H new ATOM 0 HE2 PHE A 109 118.865 5.411 9.933 1.00 0.00 H new ATOM 0 HZ PHE A 109 117.105 4.414 8.497 1.00 0.00 H new ATOM 1701 N PHE A 110 118.706 -0.964 11.255 1.00 0.00 N ATOM 1702 CA PHE A 110 118.330 -1.717 10.025 1.00 0.00 C ATOM 1703 C PHE A 110 116.919 -2.310 10.128 1.00 0.00 C ATOM 1704 O PHE A 110 116.377 -2.488 11.199 1.00 0.00 O ATOM 1705 CB PHE A 110 119.336 -2.854 9.815 1.00 0.00 C ATOM 1706 CG PHE A 110 119.618 -3.533 11.135 1.00 0.00 C ATOM 1707 CD1 PHE A 110 120.566 -2.992 12.012 1.00 0.00 C ATOM 1708 CD2 PHE A 110 118.937 -4.704 11.480 1.00 0.00 C ATOM 1709 CE1 PHE A 110 120.833 -3.621 13.233 1.00 0.00 C ATOM 1710 CE2 PHE A 110 119.204 -5.334 12.702 1.00 0.00 C ATOM 1711 CZ PHE A 110 120.152 -4.794 13.578 1.00 0.00 C ATOM 0 H PHE A 110 118.240 -1.259 12.113 1.00 0.00 H new ATOM 0 HA PHE A 110 118.342 -1.023 9.184 1.00 0.00 H new ATOM 0 HB2 PHE A 110 118.940 -3.576 9.101 1.00 0.00 H new ATOM 0 HB3 PHE A 110 120.261 -2.461 9.392 1.00 0.00 H new ATOM 0 HD1 PHE A 110 121.092 -2.087 11.745 1.00 0.00 H new ATOM 0 HD2 PHE A 110 118.205 -5.123 10.805 1.00 0.00 H new ATOM 0 HE1 PHE A 110 121.564 -3.202 13.909 1.00 0.00 H new ATOM 0 HE2 PHE A 110 118.677 -6.238 12.969 1.00 0.00 H new ATOM 0 HZ PHE A 110 120.358 -5.282 14.519 1.00 0.00 H new ATOM 1721 N CYS A 111 116.344 -2.635 8.999 1.00 0.00 N ATOM 1722 CA CYS A 111 114.982 -3.248 8.969 1.00 0.00 C ATOM 1723 C CYS A 111 115.078 -4.563 8.194 1.00 0.00 C ATOM 1724 O CYS A 111 115.985 -4.749 7.411 1.00 0.00 O ATOM 1725 CB CYS A 111 114.004 -2.307 8.272 1.00 0.00 C ATOM 1726 SG CYS A 111 113.709 -0.859 9.319 1.00 0.00 S ATOM 0 H CYS A 111 116.768 -2.499 8.081 1.00 0.00 H new ATOM 0 HA CYS A 111 114.624 -3.428 9.983 1.00 0.00 H new ATOM 0 HB2 CYS A 111 114.406 -1.996 7.308 1.00 0.00 H new ATOM 0 HB3 CYS A 111 113.065 -2.823 8.074 1.00 0.00 H new ATOM 1731 N VAL A 112 114.178 -5.488 8.411 1.00 0.00 N ATOM 1732 CA VAL A 112 114.277 -6.793 7.685 1.00 0.00 C ATOM 1733 C VAL A 112 112.966 -7.153 6.982 1.00 0.00 C ATOM 1734 O VAL A 112 111.888 -7.010 7.523 1.00 0.00 O ATOM 1735 CB VAL A 112 114.631 -7.895 8.683 1.00 0.00 C ATOM 1736 CG1 VAL A 112 114.434 -9.261 8.023 1.00 0.00 C ATOM 1737 CG2 VAL A 112 116.092 -7.744 9.109 1.00 0.00 C ATOM 0 H VAL A 112 113.388 -5.400 9.050 1.00 0.00 H new ATOM 0 HA VAL A 112 115.052 -6.698 6.924 1.00 0.00 H new ATOM 0 HB VAL A 112 113.985 -7.816 9.558 1.00 0.00 H new ATOM 0 HG11 VAL A 112 114.686 -10.048 8.734 1.00 0.00 H new ATOM 0 HG12 VAL A 112 113.394 -9.370 7.715 1.00 0.00 H new ATOM 0 HG13 VAL A 112 115.081 -9.340 7.150 1.00 0.00 H new ATOM 0 HG21 VAL A 112 116.346 -8.529 9.821 1.00 0.00 H new ATOM 0 HG22 VAL A 112 116.736 -7.825 8.234 1.00 0.00 H new ATOM 0 HG23 VAL A 112 116.236 -6.770 9.576 1.00 0.00 H new ATOM 1747 N CYS A 113 113.074 -7.667 5.781 1.00 0.00 N ATOM 1748 CA CYS A 113 111.874 -8.109 5.011 1.00 0.00 C ATOM 1749 C CYS A 113 112.051 -9.605 4.728 1.00 0.00 C ATOM 1750 O CYS A 113 113.104 -10.026 4.287 1.00 0.00 O ATOM 1751 CB CYS A 113 111.794 -7.346 3.686 1.00 0.00 C ATOM 1752 SG CYS A 113 111.557 -5.580 4.004 1.00 0.00 S ATOM 0 H CYS A 113 113.961 -7.800 5.295 1.00 0.00 H new ATOM 0 HA CYS A 113 110.960 -7.918 5.574 1.00 0.00 H new ATOM 0 HB2 CYS A 113 112.707 -7.501 3.111 1.00 0.00 H new ATOM 0 HB3 CYS A 113 110.970 -7.730 3.085 1.00 0.00 H new ATOM 1757 N SER A 114 111.068 -10.428 4.989 1.00 0.00 N ATOM 1758 CA SER A 114 111.274 -11.885 4.736 1.00 0.00 C ATOM 1759 C SER A 114 109.958 -12.666 4.831 1.00 0.00 C ATOM 1760 O SER A 114 108.927 -12.149 5.190 1.00 0.00 O ATOM 1761 CB SER A 114 112.240 -12.430 5.782 1.00 0.00 C ATOM 1762 OG SER A 114 111.627 -12.353 7.063 1.00 0.00 O ATOM 0 H SER A 114 110.154 -10.164 5.357 1.00 0.00 H new ATOM 0 HA SER A 114 111.672 -12.005 3.728 1.00 0.00 H new ATOM 0 HB2 SER A 114 112.501 -13.463 5.551 1.00 0.00 H new ATOM 0 HB3 SER A 114 113.167 -11.857 5.773 1.00 0.00 H new ATOM 0 HG SER A 114 112.241 -12.703 7.741 1.00 0.00 H new ATOM 1768 N LYS A 115 110.025 -13.932 4.521 1.00 0.00 N ATOM 1769 CA LYS A 115 108.837 -14.829 4.597 1.00 0.00 C ATOM 1770 C LYS A 115 109.334 -16.254 4.850 1.00 0.00 C ATOM 1771 O LYS A 115 110.505 -16.536 4.738 1.00 0.00 O ATOM 1772 CB LYS A 115 108.042 -14.803 3.288 1.00 0.00 C ATOM 1773 CG LYS A 115 107.078 -13.615 3.274 1.00 0.00 C ATOM 1774 CD LYS A 115 106.137 -13.747 2.071 1.00 0.00 C ATOM 1775 CE LYS A 115 105.077 -12.643 2.122 1.00 0.00 C ATOM 1776 NZ LYS A 115 104.298 -12.760 3.390 1.00 0.00 N ATOM 0 H LYS A 115 110.879 -14.394 4.209 1.00 0.00 H new ATOM 0 HA LYS A 115 108.183 -14.490 5.400 1.00 0.00 H new ATOM 0 HB2 LYS A 115 108.725 -14.735 2.441 1.00 0.00 H new ATOM 0 HB3 LYS A 115 107.485 -15.733 3.175 1.00 0.00 H new ATOM 0 HG2 LYS A 115 106.503 -13.586 4.200 1.00 0.00 H new ATOM 0 HG3 LYS A 115 107.635 -12.680 3.215 1.00 0.00 H new ATOM 0 HD2 LYS A 115 106.705 -13.677 1.143 1.00 0.00 H new ATOM 0 HD3 LYS A 115 105.657 -14.726 2.078 1.00 0.00 H new ATOM 0 HE2 LYS A 115 105.553 -11.664 2.064 1.00 0.00 H new ATOM 0 HE3 LYS A 115 104.410 -12.725 1.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 103.284 -12.828 3.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 104.598 -13.613 3.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 104.468 -11.921 3.981 1.00 0.00 H new ATOM 1790 N ASP A 116 108.458 -17.159 5.185 1.00 0.00 N ATOM 1791 CA ASP A 116 108.908 -18.559 5.423 1.00 0.00 C ATOM 1792 C ASP A 116 109.587 -19.086 4.148 1.00 0.00 C ATOM 1793 O ASP A 116 109.228 -18.720 3.048 1.00 0.00 O ATOM 1794 CB ASP A 116 107.699 -19.433 5.765 1.00 0.00 C ATOM 1795 CG ASP A 116 107.269 -19.161 7.207 1.00 0.00 C ATOM 1796 OD1 ASP A 116 108.048 -18.566 7.933 1.00 0.00 O ATOM 1797 OD2 ASP A 116 106.168 -19.549 7.558 1.00 0.00 O ATOM 0 H ASP A 116 107.459 -16.993 5.304 1.00 0.00 H new ATOM 0 HA ASP A 116 109.614 -18.587 6.253 1.00 0.00 H new ATOM 0 HB2 ASP A 116 106.877 -19.219 5.082 1.00 0.00 H new ATOM 0 HB3 ASP A 116 107.951 -20.486 5.641 1.00 0.00 H new ATOM 1802 N ASN A 117 110.555 -19.950 4.292 1.00 0.00 N ATOM 1803 CA ASN A 117 111.253 -20.502 3.090 1.00 0.00 C ATOM 1804 C ASN A 117 111.542 -19.367 2.104 1.00 0.00 C ATOM 1805 O ASN A 117 111.103 -19.400 0.975 1.00 0.00 O ATOM 1806 CB ASN A 117 110.360 -21.544 2.410 1.00 0.00 C ATOM 1807 CG ASN A 117 111.185 -22.345 1.403 1.00 0.00 C ATOM 1808 OD1 ASN A 117 112.339 -22.641 1.643 1.00 0.00 O ATOM 1809 ND2 ASN A 117 110.638 -22.712 0.277 1.00 0.00 N ATOM 0 H ASN A 117 110.894 -20.299 5.188 1.00 0.00 H new ATOM 0 HA ASN A 117 112.188 -20.969 3.399 1.00 0.00 H new ATOM 0 HB2 ASN A 117 109.930 -22.212 3.156 1.00 0.00 H new ATOM 0 HB3 ASN A 117 109.529 -21.052 1.905 1.00 0.00 H new ATOM 0 HD21 ASN A 117 111.179 -23.247 -0.402 1.00 0.00 H new ATOM 0 HD22 ASN A 117 109.669 -22.464 0.076 1.00 0.00 H new ATOM 1816 N GLU A 118 112.308 -18.380 2.507 1.00 0.00 N ATOM 1817 CA GLU A 118 112.625 -17.250 1.580 1.00 0.00 C ATOM 1818 C GLU A 118 113.904 -16.538 2.023 1.00 0.00 C ATOM 1819 O GLU A 118 114.117 -16.293 3.192 1.00 0.00 O ATOM 1820 CB GLU A 118 111.471 -16.238 1.597 1.00 0.00 C ATOM 1821 CG GLU A 118 110.296 -16.746 0.755 1.00 0.00 C ATOM 1822 CD GLU A 118 110.763 -16.953 -0.689 1.00 0.00 C ATOM 1823 OE1 GLU A 118 111.756 -16.344 -1.058 1.00 0.00 O ATOM 1824 OE2 GLU A 118 110.129 -17.715 -1.396 1.00 0.00 O ATOM 0 H GLU A 118 112.725 -18.310 3.435 1.00 0.00 H new ATOM 0 HA GLU A 118 112.764 -17.652 0.577 1.00 0.00 H new ATOM 0 HB2 GLU A 118 111.144 -16.068 2.623 1.00 0.00 H new ATOM 0 HB3 GLU A 118 111.815 -15.279 1.210 1.00 0.00 H new ATOM 0 HG2 GLU A 118 109.917 -17.682 1.165 1.00 0.00 H new ATOM 0 HG3 GLU A 118 109.475 -16.030 0.785 1.00 0.00 H new ATOM 1831 N LYS A 119 114.764 -16.200 1.093 1.00 0.00 N ATOM 1832 CA LYS A 119 116.029 -15.500 1.463 1.00 0.00 C ATOM 1833 C LYS A 119 115.685 -14.243 2.270 1.00 0.00 C ATOM 1834 O LYS A 119 114.830 -13.470 1.892 1.00 0.00 O ATOM 1835 CB LYS A 119 116.774 -15.094 0.183 1.00 0.00 C ATOM 1836 CG LYS A 119 117.093 -16.339 -0.651 1.00 0.00 C ATOM 1837 CD LYS A 119 118.312 -17.055 -0.061 1.00 0.00 C ATOM 1838 CE LYS A 119 118.692 -18.238 -0.952 1.00 0.00 C ATOM 1839 NZ LYS A 119 117.637 -19.287 -0.867 1.00 0.00 N ATOM 0 H LYS A 119 114.643 -16.379 0.096 1.00 0.00 H new ATOM 0 HA LYS A 119 116.659 -16.161 2.059 1.00 0.00 H new ATOM 0 HB2 LYS A 119 116.165 -14.402 -0.399 1.00 0.00 H new ATOM 0 HB3 LYS A 119 117.695 -14.571 0.438 1.00 0.00 H new ATOM 0 HG2 LYS A 119 116.235 -17.011 -0.663 1.00 0.00 H new ATOM 0 HG3 LYS A 119 117.290 -16.056 -1.685 1.00 0.00 H new ATOM 0 HD2 LYS A 119 119.150 -16.363 0.019 1.00 0.00 H new ATOM 0 HD3 LYS A 119 118.089 -17.403 0.948 1.00 0.00 H new ATOM 0 HE2 LYS A 119 118.807 -17.907 -1.984 1.00 0.00 H new ATOM 0 HE3 LYS A 119 119.653 -18.648 -0.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 117.996 -20.175 -1.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 117.380 -19.441 0.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 116.797 -18.979 -1.398 1.00 0.00 H new ATOM 1853 N LYS A 120 116.337 -14.040 3.386 1.00 0.00 N ATOM 1854 CA LYS A 120 116.032 -12.838 4.222 1.00 0.00 C ATOM 1855 C LYS A 120 116.726 -11.600 3.644 1.00 0.00 C ATOM 1856 O LYS A 120 117.861 -11.654 3.208 1.00 0.00 O ATOM 1857 CB LYS A 120 116.510 -13.082 5.657 1.00 0.00 C ATOM 1858 CG LYS A 120 117.981 -13.526 5.656 1.00 0.00 C ATOM 1859 CD LYS A 120 118.198 -14.580 6.745 1.00 0.00 C ATOM 1860 CE LYS A 120 117.831 -15.962 6.200 1.00 0.00 C ATOM 1861 NZ LYS A 120 118.164 -17.000 7.216 1.00 0.00 N ATOM 0 H LYS A 120 117.065 -14.652 3.754 1.00 0.00 H new ATOM 0 HA LYS A 120 114.956 -12.666 4.221 1.00 0.00 H new ATOM 0 HB2 LYS A 120 116.397 -12.172 6.246 1.00 0.00 H new ATOM 0 HB3 LYS A 120 115.892 -13.846 6.129 1.00 0.00 H new ATOM 0 HG2 LYS A 120 118.248 -13.935 4.681 1.00 0.00 H new ATOM 0 HG3 LYS A 120 118.631 -12.668 5.831 1.00 0.00 H new ATOM 0 HD2 LYS A 120 119.238 -14.571 7.072 1.00 0.00 H new ATOM 0 HD3 LYS A 120 117.587 -14.348 7.617 1.00 0.00 H new ATOM 0 HE2 LYS A 120 116.768 -16.000 5.960 1.00 0.00 H new ATOM 0 HE3 LYS A 120 118.374 -16.156 5.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 117.915 -17.940 6.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 119.183 -16.968 7.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 117.627 -16.817 8.088 1.00 0.00 H new ATOM 1875 N LEU A 121 116.042 -10.485 3.641 1.00 0.00 N ATOM 1876 CA LEU A 121 116.643 -9.231 3.098 1.00 0.00 C ATOM 1877 C LEU A 121 116.887 -8.247 4.244 1.00 0.00 C ATOM 1878 O LEU A 121 115.982 -7.910 4.981 1.00 0.00 O ATOM 1879 CB LEU A 121 115.673 -8.603 2.091 1.00 0.00 C ATOM 1880 CG LEU A 121 115.349 -9.612 0.985 1.00 0.00 C ATOM 1881 CD1 LEU A 121 114.329 -9.004 0.018 1.00 0.00 C ATOM 1882 CD2 LEU A 121 116.627 -9.960 0.220 1.00 0.00 C ATOM 0 H LEU A 121 115.089 -10.389 3.993 1.00 0.00 H new ATOM 0 HA LEU A 121 117.588 -9.461 2.606 1.00 0.00 H new ATOM 0 HB2 LEU A 121 114.757 -8.297 2.597 1.00 0.00 H new ATOM 0 HB3 LEU A 121 116.114 -7.705 1.659 1.00 0.00 H new ATOM 0 HG LEU A 121 114.933 -10.515 1.432 1.00 0.00 H new ATOM 0 HD11 LEU A 121 114.100 -9.723 -0.768 1.00 0.00 H new ATOM 0 HD12 LEU A 121 113.417 -8.756 0.560 1.00 0.00 H new ATOM 0 HD13 LEU A 121 114.744 -8.100 -0.427 1.00 0.00 H new ATOM 0 HD21 LEU A 121 116.396 -10.678 -0.567 1.00 0.00 H new ATOM 0 HD22 LEU A 121 117.043 -9.056 -0.225 1.00 0.00 H new ATOM 0 HD23 LEU A 121 117.354 -10.395 0.906 1.00 0.00 H new ATOM 1894 N VAL A 122 118.099 -7.780 4.408 1.00 0.00 N ATOM 1895 CA VAL A 122 118.385 -6.820 5.520 1.00 0.00 C ATOM 1896 C VAL A 122 118.681 -5.421 4.966 1.00 0.00 C ATOM 1897 O VAL A 122 119.470 -5.246 4.063 1.00 0.00 O ATOM 1898 CB VAL A 122 119.602 -7.306 6.317 1.00 0.00 C ATOM 1899 CG1 VAL A 122 120.107 -6.178 7.221 1.00 0.00 C ATOM 1900 CG2 VAL A 122 119.207 -8.511 7.179 1.00 0.00 C ATOM 0 H VAL A 122 118.900 -8.020 3.824 1.00 0.00 H new ATOM 0 HA VAL A 122 117.508 -6.769 6.165 1.00 0.00 H new ATOM 0 HB VAL A 122 120.391 -7.599 5.624 1.00 0.00 H new ATOM 0 HG11 VAL A 122 120.972 -6.525 7.787 1.00 0.00 H new ATOM 0 HG12 VAL A 122 120.393 -5.322 6.610 1.00 0.00 H new ATOM 0 HG13 VAL A 122 119.316 -5.883 7.911 1.00 0.00 H new ATOM 0 HG21 VAL A 122 120.074 -8.854 7.744 1.00 0.00 H new ATOM 0 HG22 VAL A 122 118.415 -8.220 7.870 1.00 0.00 H new ATOM 0 HG23 VAL A 122 118.851 -9.316 6.537 1.00 0.00 H new ATOM 1910 N PHE A 123 118.055 -4.421 5.527 1.00 0.00 N ATOM 1911 CA PHE A 123 118.297 -3.016 5.080 1.00 0.00 C ATOM 1912 C PHE A 123 119.047 -2.294 6.203 1.00 0.00 C ATOM 1913 O PHE A 123 118.584 -2.260 7.313 1.00 0.00 O ATOM 1914 CB PHE A 123 116.948 -2.339 4.821 1.00 0.00 C ATOM 1915 CG PHE A 123 117.121 -0.840 4.778 1.00 0.00 C ATOM 1916 CD1 PHE A 123 117.835 -0.247 3.735 1.00 0.00 C ATOM 1917 CD2 PHE A 123 116.553 -0.043 5.781 1.00 0.00 C ATOM 1918 CE1 PHE A 123 117.985 1.143 3.691 1.00 0.00 C ATOM 1919 CE2 PHE A 123 116.702 1.348 5.739 1.00 0.00 C ATOM 1920 CZ PHE A 123 117.418 1.942 4.692 1.00 0.00 C ATOM 0 H PHE A 123 117.379 -4.518 6.284 1.00 0.00 H new ATOM 0 HA PHE A 123 118.885 -2.988 4.162 1.00 0.00 H new ATOM 0 HB2 PHE A 123 116.530 -2.692 3.878 1.00 0.00 H new ATOM 0 HB3 PHE A 123 116.240 -2.609 5.605 1.00 0.00 H new ATOM 0 HD1 PHE A 123 118.272 -0.862 2.962 1.00 0.00 H new ATOM 0 HD2 PHE A 123 116.000 -0.502 6.587 1.00 0.00 H new ATOM 0 HE1 PHE A 123 118.539 1.601 2.884 1.00 0.00 H new ATOM 0 HE2 PHE A 123 116.266 1.962 6.513 1.00 0.00 H new ATOM 0 HZ PHE A 123 117.533 3.015 4.657 1.00 0.00 H new ATOM 1930 N THR A 124 120.206 -1.740 5.937 1.00 0.00 N ATOM 1931 CA THR A 124 120.960 -1.059 7.038 1.00 0.00 C ATOM 1932 C THR A 124 121.581 0.264 6.580 1.00 0.00 C ATOM 1933 O THR A 124 122.080 0.402 5.473 1.00 0.00 O ATOM 1934 CB THR A 124 122.063 -1.996 7.535 1.00 0.00 C ATOM 1935 OG1 THR A 124 122.555 -1.522 8.779 1.00 0.00 O ATOM 1936 CG2 THR A 124 123.203 -2.033 6.516 1.00 0.00 C ATOM 0 H THR A 124 120.657 -1.729 5.022 1.00 0.00 H new ATOM 0 HA THR A 124 120.257 -0.830 7.839 1.00 0.00 H new ATOM 0 HB THR A 124 121.659 -3.001 7.660 1.00 0.00 H new ATOM 0 HG1 THR A 124 121.868 -0.977 9.216 1.00 0.00 H new ATOM 0 HG21 THR A 124 123.988 -2.701 6.872 1.00 0.00 H new ATOM 0 HG22 THR A 124 122.825 -2.395 5.560 1.00 0.00 H new ATOM 0 HG23 THR A 124 123.610 -1.030 6.389 1.00 0.00 H new ATOM 1944 N VAL A 125 121.595 1.232 7.463 1.00 0.00 N ATOM 1945 CA VAL A 125 122.218 2.549 7.145 1.00 0.00 C ATOM 1946 C VAL A 125 123.042 2.991 8.362 1.00 0.00 C ATOM 1947 O VAL A 125 122.827 2.516 9.468 1.00 0.00 O ATOM 1948 CB VAL A 125 121.129 3.583 6.844 1.00 0.00 C ATOM 1949 CG1 VAL A 125 120.066 2.955 5.939 1.00 0.00 C ATOM 1950 CG2 VAL A 125 120.478 4.044 8.149 1.00 0.00 C ATOM 0 H VAL A 125 121.197 1.163 8.399 1.00 0.00 H new ATOM 0 HA VAL A 125 122.859 2.462 6.268 1.00 0.00 H new ATOM 0 HB VAL A 125 121.577 4.441 6.342 1.00 0.00 H new ATOM 0 HG11 VAL A 125 119.290 3.690 5.724 1.00 0.00 H new ATOM 0 HG12 VAL A 125 120.528 2.631 5.006 1.00 0.00 H new ATOM 0 HG13 VAL A 125 119.622 2.096 6.441 1.00 0.00 H new ATOM 0 HG21 VAL A 125 119.704 4.779 7.930 1.00 0.00 H new ATOM 0 HG22 VAL A 125 120.032 3.188 8.655 1.00 0.00 H new ATOM 0 HG23 VAL A 125 121.233 4.494 8.793 1.00 0.00 H new ATOM 1960 N GLU A 126 123.983 3.882 8.181 1.00 0.00 N ATOM 1961 CA GLU A 126 124.813 4.329 9.342 1.00 0.00 C ATOM 1962 C GLU A 126 124.923 5.856 9.360 1.00 0.00 C ATOM 1963 O GLU A 126 124.875 6.508 8.336 1.00 0.00 O ATOM 1964 CB GLU A 126 126.214 3.725 9.218 1.00 0.00 C ATOM 1965 CG GLU A 126 127.047 4.111 10.442 1.00 0.00 C ATOM 1966 CD GLU A 126 128.441 3.489 10.330 1.00 0.00 C ATOM 1967 OE1 GLU A 126 128.767 3.004 9.259 1.00 0.00 O ATOM 1968 OE2 GLU A 126 129.157 3.509 11.317 1.00 0.00 O ATOM 0 H GLU A 126 124.212 4.317 7.287 1.00 0.00 H new ATOM 0 HA GLU A 126 124.341 3.997 10.266 1.00 0.00 H new ATOM 0 HB2 GLU A 126 126.148 2.640 9.138 1.00 0.00 H new ATOM 0 HB3 GLU A 126 126.697 4.083 8.309 1.00 0.00 H new ATOM 0 HG2 GLU A 126 127.126 5.196 10.513 1.00 0.00 H new ATOM 0 HG3 GLU A 126 126.556 3.767 11.352 1.00 0.00 H new ATOM 1975 N ALA A 127 125.070 6.429 10.525 1.00 0.00 N ATOM 1976 CA ALA A 127 125.189 7.911 10.621 1.00 0.00 C ATOM 1977 C ALA A 127 125.894 8.281 11.929 1.00 0.00 C ATOM 1978 O ALA A 127 126.682 9.213 11.910 1.00 0.00 O ATOM 1979 CB ALA A 127 123.794 8.541 10.602 1.00 0.00 C ATOM 1980 OXT ALA A 127 125.637 7.624 12.927 1.00 0.00 O ATOM 0 H ALA A 127 125.113 5.933 11.415 1.00 0.00 H new ATOM 0 HA ALA A 127 125.767 8.283 9.775 1.00 0.00 H new ATOM 0 HB1 ALA A 127 123.883 9.625 10.672 1.00 0.00 H new ATOM 0 HB2 ALA A 127 123.289 8.278 9.673 1.00 0.00 H new ATOM 0 HB3 ALA A 127 123.215 8.169 11.447 1.00 0.00 H new TER 1986 ALA A 127