USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 822 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: F 23 ASN : amide:sc= -3.5! C(o=-3.7!,f=-7.4!) USER MOD Set 1.2: F 55 GLN : amide:sc= -0.156 K(o=-3.7,f=-7.7!) USER MOD Set 2.1: E 23 ASN : amide:sc= -1.91! C(o=-4.8!,f=-6.1!) USER MOD Set 2.2: E 55 GLN :FLIP amide:sc= -2.85! C(o=-6.4!,f=-4.8!) USER MOD Set 3.1: C 26 SER OG : rot -44:sc= 1.5 USER MOD Set 3.2: C 28 LYS NZ :NH3+ -163:sc= 0.541 (180deg=0) USER MOD Single : C 16 LYS NZ :NH3+ -156:sc= -0.933 (180deg=-1.59!) USER MOD Single : C 27 ASN : amide:sc= 0.775 K(o=0.77,f=-0.022) USER MOD Single : C 35 MET CE :methyl -145:sc= -0.587 (180deg=-2.54!) USER MOD Single : E 18 TYR OH : rot -99:sc= -0.468 USER MOD Single : E 21 ASN : amide:sc= -1.56 X(o=-1.6,f=-1.8) USER MOD Single : E 26 GLN : amide:sc= -0.272 X(o=-0.27,f=-0.24) USER MOD Single : E 32 HIS : no HD1:sc= -0.75 K(o=-0.75,f=-1.8!) USER MOD Single : E 33 SER OG : rot 160:sc=-0.00417 USER MOD Single : E 35 HIS : no HE2:sc= -0.349 K(o=-0.35,f=-3.9!) USER MOD Single : E 39 SER OG : rot 89:sc= 0.363 USER MOD Single : E 40 GLN : amide:sc= 0.203 X(o=0.2,f=0) USER MOD Single : E 41 SER OG : rot -92:sc= 1.24 USER MOD Single : E 43 ASN : amide:sc= -0.0127 X(o=-0.013,f=0) USER MOD Single : E 49 LYS NZ :NH3+ 163:sc= 0.446 (180deg=0.111) USER MOD Single : E 50 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0474) USER MOD Single : E 52 ASN : amide:sc= -0.0128 X(o=-0.013,f=-0.5) USER MOD Single : F 18 TYR OH : rot -87:sc= 0.748 USER MOD Single : F 21 ASN : amide:sc= -0.286 K(o=-0.29,f=-0.96) USER MOD Single : F 26 GLN : amide:sc= -0.238 X(o=-0.24,f=-0.24) USER MOD Single : F 32 HIS : no HD1:sc= 0 X(o=0,f=-0.021) USER MOD Single : F 33 SER OG : rot 140:sc= -0.37 USER MOD Single : F 35 HIS : no HD1:sc= 0 X(o=0,f=-0.023) USER MOD Single : F 39 SER OG : rot 180:sc= 0 USER MOD Single : F 40 GLN : amide:sc= -0.209 X(o=-0.21,f=0) USER MOD Single : F 41 SER OG : rot -67:sc= 1.03 USER MOD Single : F 43 ASN : amide:sc=-0.00172 X(o=-0.0017,f=0) USER MOD Single : F 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : F 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : F 52 ASN : amide:sc= -0.175 X(o=-0.17,f=-0.39) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS C 16 126.778 -8.711 -3.988 1.00 0.00 N ATOM 2 CA LYS C 16 125.789 -8.725 -2.920 1.00 0.00 C ATOM 3 C LYS C 16 125.109 -7.369 -2.824 1.00 0.00 C ATOM 4 O LYS C 16 125.744 -6.380 -2.449 1.00 0.00 O ATOM 5 CB LYS C 16 126.492 -9.058 -1.591 1.00 0.00 C ATOM 6 CG LYS C 16 125.481 -9.572 -0.556 1.00 0.00 C ATOM 7 CD LYS C 16 124.808 -8.394 0.171 1.00 0.00 C ATOM 8 CE LYS C 16 125.250 -8.372 1.636 1.00 0.00 C ATOM 9 NZ LYS C 16 124.550 -9.460 2.383 1.00 0.00 N ATOM 0 HA LYS C 16 125.031 -9.479 -3.132 1.00 0.00 H new ATOM 0 HB2 LYS C 16 127.262 -9.811 -1.760 1.00 0.00 H new ATOM 0 HB3 LYS C 16 126.994 -8.170 -1.207 1.00 0.00 H new ATOM 0 HG2 LYS C 16 124.725 -10.182 -1.050 1.00 0.00 H new ATOM 0 HG3 LYS C 16 125.986 -10.213 0.167 1.00 0.00 H new ATOM 0 HD2 LYS C 16 125.075 -7.455 -0.314 1.00 0.00 H new ATOM 0 HD3 LYS C 16 123.724 -8.488 0.110 1.00 0.00 H new ATOM 0 HE2 LYS C 16 126.330 -8.506 1.703 1.00 0.00 H new ATOM 0 HE3 LYS C 16 125.021 -7.404 2.082 1.00 0.00 H new ATOM 0 HZ1 LYS C 16 124.512 -9.218 3.394 1.00 0.00 H new ATOM 0 HZ2 LYS C 16 123.583 -9.567 2.016 1.00 0.00 H new ATOM 0 HZ3 LYS C 16 125.067 -10.354 2.260 1.00 0.00 H new ATOM 23 N LEU C 17 123.816 -7.325 -3.156 1.00 0.00 N ATOM 24 CA LEU C 17 123.068 -6.074 -3.090 1.00 0.00 C ATOM 25 C LEU C 17 122.066 -6.091 -1.950 1.00 0.00 C ATOM 26 O LEU C 17 121.495 -7.134 -1.615 1.00 0.00 O ATOM 27 CB LEU C 17 122.369 -5.772 -4.422 1.00 0.00 C ATOM 28 CG LEU C 17 123.274 -4.858 -5.280 1.00 0.00 C ATOM 29 CD1 LEU C 17 124.127 -5.695 -6.251 1.00 0.00 C ATOM 30 CD2 LEU C 17 122.403 -3.848 -6.042 1.00 0.00 C ATOM 0 H LEU C 17 123.274 -8.131 -3.469 1.00 0.00 H new ATOM 0 HA LEU C 17 123.785 -5.276 -2.897 1.00 0.00 H new ATOM 0 HB2 LEU C 17 122.161 -6.700 -4.955 1.00 0.00 H new ATOM 0 HB3 LEU C 17 121.410 -5.286 -4.241 1.00 0.00 H new ATOM 0 HG LEU C 17 123.957 -4.314 -4.628 1.00 0.00 H new ATOM 0 HD11 LEU C 17 124.757 -5.033 -6.845 1.00 0.00 H new ATOM 0 HD12 LEU C 17 124.756 -6.381 -5.684 1.00 0.00 H new ATOM 0 HD13 LEU C 17 123.473 -6.264 -6.912 1.00 0.00 H new ATOM 0 HD21 LEU C 17 123.039 -3.203 -6.648 1.00 0.00 H new ATOM 0 HD22 LEU C 17 121.708 -4.383 -6.689 1.00 0.00 H new ATOM 0 HD23 LEU C 17 121.843 -3.241 -5.331 1.00 0.00 H new ATOM 42 N VAL C 18 121.879 -4.913 -1.351 1.00 0.00 N ATOM 43 CA VAL C 18 120.963 -4.752 -0.223 1.00 0.00 C ATOM 44 C VAL C 18 120.199 -3.438 -0.366 1.00 0.00 C ATOM 45 O VAL C 18 120.800 -2.417 -0.676 1.00 0.00 O ATOM 46 CB VAL C 18 121.762 -4.749 1.097 1.00 0.00 C ATOM 47 CG1 VAL C 18 120.797 -4.873 2.284 1.00 0.00 C ATOM 48 CG2 VAL C 18 122.758 -5.926 1.120 1.00 0.00 C ATOM 0 H VAL C 18 122.353 -4.054 -1.631 1.00 0.00 H new ATOM 0 HA VAL C 18 120.254 -5.580 -0.212 1.00 0.00 H new ATOM 0 HB VAL C 18 122.316 -3.813 1.171 1.00 0.00 H new ATOM 0 HG11 VAL C 18 121.363 -4.871 3.215 1.00 0.00 H new ATOM 0 HG12 VAL C 18 120.104 -4.032 2.279 1.00 0.00 H new ATOM 0 HG13 VAL C 18 120.237 -5.805 2.202 1.00 0.00 H new ATOM 0 HG21 VAL C 18 123.316 -5.913 2.057 1.00 0.00 H new ATOM 0 HG22 VAL C 18 122.213 -6.866 1.036 1.00 0.00 H new ATOM 0 HG23 VAL C 18 123.451 -5.833 0.284 1.00 0.00 H new ATOM 58 N PHE C 19 118.883 -3.467 -0.127 1.00 0.00 N ATOM 59 CA PHE C 19 118.056 -2.264 -0.224 1.00 0.00 C ATOM 60 C PHE C 19 117.801 -1.706 1.161 1.00 0.00 C ATOM 61 O PHE C 19 117.371 -2.430 2.055 1.00 0.00 O ATOM 62 CB PHE C 19 116.708 -2.579 -0.899 1.00 0.00 C ATOM 63 CG PHE C 19 116.684 -1.969 -2.279 1.00 0.00 C ATOM 64 CD1 PHE C 19 117.547 -2.473 -3.260 1.00 0.00 C ATOM 65 CD2 PHE C 19 115.820 -0.894 -2.581 1.00 0.00 C ATOM 66 CE1 PHE C 19 117.556 -1.922 -4.537 1.00 0.00 C ATOM 67 CE2 PHE C 19 115.837 -0.345 -3.871 1.00 0.00 C ATOM 68 CZ PHE C 19 116.707 -0.863 -4.845 1.00 0.00 C ATOM 0 H PHE C 19 118.371 -4.310 0.134 1.00 0.00 H new ATOM 0 HA PHE C 19 118.589 -1.530 -0.828 1.00 0.00 H new ATOM 0 HB2 PHE C 19 116.564 -3.658 -0.964 1.00 0.00 H new ATOM 0 HB3 PHE C 19 115.888 -2.183 -0.300 1.00 0.00 H new ATOM 0 HD1 PHE C 19 118.209 -3.293 -3.024 1.00 0.00 H new ATOM 0 HD2 PHE C 19 115.154 -0.499 -1.828 1.00 0.00 H new ATOM 0 HE1 PHE C 19 118.222 -2.316 -5.290 1.00 0.00 H new ATOM 0 HE2 PHE C 19 115.181 0.477 -4.116 1.00 0.00 H new ATOM 0 HZ PHE C 19 116.717 -0.437 -5.838 1.00 0.00 H new ATOM 78 N PHE C 20 118.073 -0.419 1.323 1.00 0.00 N ATOM 79 CA PHE C 20 117.874 0.246 2.616 1.00 0.00 C ATOM 80 C PHE C 20 117.287 1.648 2.450 1.00 0.00 C ATOM 81 O PHE C 20 117.430 2.276 1.397 1.00 0.00 O ATOM 82 CB PHE C 20 119.208 0.337 3.360 1.00 0.00 C ATOM 83 CG PHE C 20 120.183 1.158 2.563 1.00 0.00 C ATOM 84 CD1 PHE C 20 120.141 2.556 2.628 1.00 0.00 C ATOM 85 CD2 PHE C 20 121.125 0.521 1.760 1.00 0.00 C ATOM 86 CE1 PHE C 20 121.042 3.312 1.887 1.00 0.00 C ATOM 87 CE2 PHE C 20 122.025 1.274 1.024 1.00 0.00 C ATOM 88 CZ PHE C 20 121.987 2.674 1.084 1.00 0.00 C ATOM 0 H PHE C 20 118.430 0.188 0.585 1.00 0.00 H new ATOM 0 HA PHE C 20 117.164 -0.350 3.189 1.00 0.00 H new ATOM 0 HB2 PHE C 20 119.057 0.787 4.341 1.00 0.00 H new ATOM 0 HB3 PHE C 20 119.611 -0.662 3.526 1.00 0.00 H new ATOM 0 HD1 PHE C 20 119.409 3.046 3.253 1.00 0.00 H new ATOM 0 HD2 PHE C 20 121.154 -0.557 1.711 1.00 0.00 H new ATOM 0 HE1 PHE C 20 121.010 4.391 1.933 1.00 0.00 H new ATOM 0 HE2 PHE C 20 122.758 0.781 0.402 1.00 0.00 H new ATOM 0 HZ PHE C 20 122.689 3.258 0.508 1.00 0.00 H new ATOM 98 N ALA C 21 116.654 2.136 3.520 1.00 0.00 N ATOM 99 CA ALA C 21 116.073 3.471 3.535 1.00 0.00 C ATOM 100 C ALA C 21 116.699 4.273 4.674 1.00 0.00 C ATOM 101 O ALA C 21 116.889 3.744 5.771 1.00 0.00 O ATOM 102 CB ALA C 21 114.564 3.372 3.724 1.00 0.00 C ATOM 0 H ALA C 21 116.533 1.618 4.390 1.00 0.00 H new ATOM 0 HA ALA C 21 116.273 3.974 2.589 1.00 0.00 H new ATOM 0 HB1 ALA C 21 114.132 4.373 3.735 1.00 0.00 H new ATOM 0 HB2 ALA C 21 114.131 2.799 2.904 1.00 0.00 H new ATOM 0 HB3 ALA C 21 114.348 2.873 4.669 1.00 0.00 H new ATOM 108 N GLU C 22 117.025 5.543 4.406 1.00 0.00 N ATOM 109 CA GLU C 22 117.643 6.409 5.424 1.00 0.00 C ATOM 110 C GLU C 22 116.697 7.525 5.800 1.00 0.00 C ATOM 111 O GLU C 22 116.163 8.184 4.922 1.00 0.00 O ATOM 112 CB GLU C 22 118.937 7.071 4.905 1.00 0.00 C ATOM 113 CG GLU C 22 119.657 6.176 3.894 1.00 0.00 C ATOM 114 CD GLU C 22 121.172 6.340 4.028 1.00 0.00 C ATOM 115 OE1 GLU C 22 121.653 7.450 3.840 1.00 0.00 O ATOM 116 OE2 GLU C 22 121.832 5.353 4.311 1.00 0.00 O ATOM 0 H GLU C 22 116.874 5.993 3.503 1.00 0.00 H new ATOM 0 HA GLU C 22 117.871 5.773 6.279 1.00 0.00 H new ATOM 0 HB2 GLU C 22 118.697 8.027 4.440 1.00 0.00 H new ATOM 0 HB3 GLU C 22 119.601 7.282 5.743 1.00 0.00 H new ATOM 0 HG2 GLU C 22 119.381 5.134 4.058 1.00 0.00 H new ATOM 0 HG3 GLU C 22 119.344 6.433 2.882 1.00 0.00 H new ATOM 123 N ASP C 23 116.543 7.775 7.096 1.00 0.00 N ATOM 124 CA ASP C 23 115.697 8.873 7.543 1.00 0.00 C ATOM 125 C ASP C 23 116.480 10.162 7.332 1.00 0.00 C ATOM 126 O ASP C 23 117.496 10.394 7.986 1.00 0.00 O ATOM 127 CB ASP C 23 115.308 8.699 9.024 1.00 0.00 C ATOM 128 CG ASP C 23 114.165 7.688 9.178 1.00 0.00 C ATOM 129 OD1 ASP C 23 113.168 7.827 8.483 1.00 0.00 O ATOM 130 OD2 ASP C 23 114.296 6.798 10.001 1.00 0.00 O ATOM 0 H ASP C 23 116.986 7.241 7.844 1.00 0.00 H new ATOM 0 HA ASP C 23 114.767 8.895 6.974 1.00 0.00 H new ATOM 0 HB2 ASP C 23 116.174 8.363 9.594 1.00 0.00 H new ATOM 0 HB3 ASP C 23 115.006 9.660 9.440 1.00 0.00 H new ATOM 135 N VAL C 24 116.031 10.963 6.368 1.00 0.00 N ATOM 136 CA VAL C 24 116.726 12.209 6.013 1.00 0.00 C ATOM 137 C VAL C 24 115.893 13.449 6.331 1.00 0.00 C ATOM 138 O VAL C 24 116.409 14.569 6.277 1.00 0.00 O ATOM 139 CB VAL C 24 117.079 12.167 4.510 1.00 0.00 C ATOM 140 CG1 VAL C 24 117.823 10.852 4.211 1.00 0.00 C ATOM 141 CG2 VAL C 24 115.790 12.261 3.655 1.00 0.00 C ATOM 0 H VAL C 24 115.193 10.777 5.818 1.00 0.00 H new ATOM 0 HA VAL C 24 117.632 12.281 6.614 1.00 0.00 H new ATOM 0 HB VAL C 24 117.717 13.014 4.259 1.00 0.00 H new ATOM 0 HG11 VAL C 24 118.078 10.811 3.152 1.00 0.00 H new ATOM 0 HG12 VAL C 24 118.735 10.807 4.806 1.00 0.00 H new ATOM 0 HG13 VAL C 24 117.183 10.006 4.463 1.00 0.00 H new ATOM 0 HG21 VAL C 24 116.052 12.230 2.597 1.00 0.00 H new ATOM 0 HG22 VAL C 24 115.135 11.422 3.891 1.00 0.00 H new ATOM 0 HG23 VAL C 24 115.275 13.196 3.874 1.00 0.00 H new ATOM 151 N GLY C 25 114.606 13.252 6.637 1.00 0.00 N ATOM 152 CA GLY C 25 113.714 14.373 6.933 1.00 0.00 C ATOM 153 C GLY C 25 113.584 15.256 5.696 1.00 0.00 C ATOM 154 O GLY C 25 113.321 14.751 4.604 1.00 0.00 O ATOM 0 H GLY C 25 114.164 12.334 6.685 1.00 0.00 H new ATOM 0 HA2 GLY C 25 112.734 14.003 7.234 1.00 0.00 H new ATOM 0 HA3 GLY C 25 114.106 14.953 7.768 1.00 0.00 H new ATOM 158 N SER C 26 113.799 16.566 5.869 1.00 0.00 N ATOM 159 CA SER C 26 113.735 17.525 4.751 1.00 0.00 C ATOM 160 C SER C 26 112.421 17.403 3.955 1.00 0.00 C ATOM 161 O SER C 26 112.363 17.762 2.774 1.00 0.00 O ATOM 162 CB SER C 26 114.940 17.291 3.823 1.00 0.00 C ATOM 163 OG SER C 26 115.001 18.319 2.839 1.00 0.00 O ATOM 0 H SER C 26 114.019 16.989 6.771 1.00 0.00 H new ATOM 0 HA SER C 26 113.765 18.533 5.164 1.00 0.00 H new ATOM 0 HB2 SER C 26 115.861 17.278 4.405 1.00 0.00 H new ATOM 0 HB3 SER C 26 114.854 16.318 3.340 1.00 0.00 H new ATOM 0 HG SER C 26 114.105 18.479 2.477 1.00 0.00 H new ATOM 169 N ASN C 27 111.381 16.869 4.611 1.00 0.00 N ATOM 170 CA ASN C 27 110.071 16.655 3.979 1.00 0.00 C ATOM 171 C ASN C 27 110.173 15.561 2.905 1.00 0.00 C ATOM 172 O ASN C 27 109.195 15.261 2.211 1.00 0.00 O ATOM 173 CB ASN C 27 109.532 17.967 3.372 1.00 0.00 C ATOM 174 CG ASN C 27 108.008 18.013 3.470 1.00 0.00 C ATOM 175 OD1 ASN C 27 107.455 18.835 4.201 1.00 0.00 O ATOM 176 ND2 ASN C 27 107.293 17.171 2.780 1.00 0.00 N ATOM 0 H ASN C 27 111.423 16.575 5.587 1.00 0.00 H new ATOM 0 HA ASN C 27 109.368 16.327 4.745 1.00 0.00 H new ATOM 0 HB2 ASN C 27 109.962 18.821 3.895 1.00 0.00 H new ATOM 0 HB3 ASN C 27 109.838 18.045 2.329 1.00 0.00 H new ATOM 0 HD21 ASN C 27 106.275 17.193 2.845 1.00 0.00 H new ATOM 0 HD22 ASN C 27 107.751 16.490 2.174 1.00 0.00 H new ATOM 183 N LYS C 28 111.361 14.955 2.805 1.00 0.00 N ATOM 184 CA LYS C 28 111.624 13.873 1.857 1.00 0.00 C ATOM 185 C LYS C 28 111.418 12.516 2.529 1.00 0.00 C ATOM 186 O LYS C 28 111.523 11.472 1.877 1.00 0.00 O ATOM 187 CB LYS C 28 113.071 13.966 1.356 1.00 0.00 C ATOM 188 CG LYS C 28 113.277 15.264 0.559 1.00 0.00 C ATOM 189 CD LYS C 28 114.564 15.174 -0.278 1.00 0.00 C ATOM 190 CE LYS C 28 115.806 15.283 0.622 1.00 0.00 C ATOM 191 NZ LYS C 28 116.195 16.718 0.768 1.00 0.00 N ATOM 0 H LYS C 28 112.166 15.203 3.380 1.00 0.00 H new ATOM 0 HA LYS C 28 110.933 13.969 1.020 1.00 0.00 H new ATOM 0 HB2 LYS C 28 113.758 13.937 2.201 1.00 0.00 H new ATOM 0 HB3 LYS C 28 113.302 13.105 0.728 1.00 0.00 H new ATOM 0 HG2 LYS C 28 112.421 15.438 -0.094 1.00 0.00 H new ATOM 0 HG3 LYS C 28 113.336 16.113 1.241 1.00 0.00 H new ATOM 0 HD2 LYS C 28 114.585 14.230 -0.822 1.00 0.00 H new ATOM 0 HD3 LYS C 28 114.577 15.971 -1.022 1.00 0.00 H new ATOM 0 HE2 LYS C 28 115.597 14.851 1.601 1.00 0.00 H new ATOM 0 HE3 LYS C 28 116.630 14.714 0.192 1.00 0.00 H new ATOM 0 HZ1 LYS C 28 117.171 16.779 1.121 1.00 0.00 H new ATOM 0 HZ2 LYS C 28 116.131 17.191 -0.156 1.00 0.00 H new ATOM 0 HZ3 LYS C 28 115.554 17.185 1.441 1.00 0.00 H new ATOM 205 N GLY C 29 111.155 12.539 3.841 1.00 0.00 N ATOM 206 CA GLY C 29 110.972 11.307 4.599 1.00 0.00 C ATOM 207 C GLY C 29 112.291 10.550 4.631 1.00 0.00 C ATOM 208 O GLY C 29 113.218 10.940 5.353 1.00 0.00 O ATOM 0 H GLY C 29 111.066 13.393 4.392 1.00 0.00 H new ATOM 0 HA2 GLY C 29 110.642 11.533 5.613 1.00 0.00 H new ATOM 0 HA3 GLY C 29 110.196 10.694 4.141 1.00 0.00 H new ATOM 212 N ALA C 30 112.377 9.487 3.825 1.00 0.00 N ATOM 213 CA ALA C 30 113.595 8.692 3.735 1.00 0.00 C ATOM 214 C ALA C 30 114.043 8.554 2.277 1.00 0.00 C ATOM 215 O ALA C 30 113.259 8.799 1.356 1.00 0.00 O ATOM 216 CB ALA C 30 113.377 7.308 4.347 1.00 0.00 C ATOM 0 H ALA C 30 111.616 9.162 3.228 1.00 0.00 H new ATOM 0 HA ALA C 30 114.377 9.205 4.294 1.00 0.00 H new ATOM 0 HB1 ALA C 30 114.297 6.728 4.271 1.00 0.00 H new ATOM 0 HB2 ALA C 30 113.100 7.414 5.396 1.00 0.00 H new ATOM 0 HB3 ALA C 30 112.579 6.795 3.811 1.00 0.00 H new ATOM 222 N ILE C 31 115.311 8.160 2.082 1.00 0.00 N ATOM 223 CA ILE C 31 115.866 7.989 0.737 1.00 0.00 C ATOM 224 C ILE C 31 116.144 6.523 0.471 1.00 0.00 C ATOM 225 O ILE C 31 116.778 5.851 1.287 1.00 0.00 O ATOM 226 CB ILE C 31 117.196 8.757 0.575 1.00 0.00 C ATOM 227 CG1 ILE C 31 117.005 10.235 0.936 1.00 0.00 C ATOM 228 CG2 ILE C 31 117.673 8.645 -0.880 1.00 0.00 C ATOM 229 CD1 ILE C 31 118.316 11.010 0.735 1.00 0.00 C ATOM 0 H ILE C 31 115.966 7.956 2.837 1.00 0.00 H new ATOM 0 HA ILE C 31 115.131 8.379 0.033 1.00 0.00 H new ATOM 0 HB ILE C 31 117.939 8.324 1.244 1.00 0.00 H new ATOM 0 HG12 ILE C 31 116.220 10.669 0.316 1.00 0.00 H new ATOM 0 HG13 ILE C 31 116.678 10.323 1.972 1.00 0.00 H new ATOM 0 HG21 ILE C 31 118.612 9.186 -0.998 1.00 0.00 H new ATOM 0 HG22 ILE C 31 117.825 7.596 -1.133 1.00 0.00 H new ATOM 0 HG23 ILE C 31 116.922 9.073 -1.543 1.00 0.00 H new ATOM 0 HD11 ILE C 31 118.163 12.057 0.996 1.00 0.00 H new ATOM 0 HD12 ILE C 31 119.091 10.586 1.374 1.00 0.00 H new ATOM 0 HD13 ILE C 31 118.626 10.937 -0.308 1.00 0.00 H new ATOM 241 N ILE C 32 115.711 6.048 -0.695 1.00 0.00 N ATOM 242 CA ILE C 32 115.965 4.672 -1.078 1.00 0.00 C ATOM 243 C ILE C 32 117.364 4.587 -1.663 1.00 0.00 C ATOM 244 O ILE C 32 117.654 5.170 -2.713 1.00 0.00 O ATOM 245 CB ILE C 32 114.909 4.160 -2.091 1.00 0.00 C ATOM 246 CG1 ILE C 32 113.723 3.536 -1.330 1.00 0.00 C ATOM 247 CG2 ILE C 32 115.515 3.106 -3.040 1.00 0.00 C ATOM 248 CD1 ILE C 32 114.167 2.264 -0.582 1.00 0.00 C ATOM 0 H ILE C 32 115.189 6.593 -1.381 1.00 0.00 H new ATOM 0 HA ILE C 32 115.891 4.033 -0.198 1.00 0.00 H new ATOM 0 HB ILE C 32 114.569 5.008 -2.686 1.00 0.00 H new ATOM 0 HG12 ILE C 32 113.318 4.258 -0.621 1.00 0.00 H new ATOM 0 HG13 ILE C 32 112.923 3.293 -2.029 1.00 0.00 H new ATOM 0 HG21 ILE C 32 114.752 2.765 -3.739 1.00 0.00 H new ATOM 0 HG22 ILE C 32 116.343 3.548 -3.594 1.00 0.00 H new ATOM 0 HG23 ILE C 32 115.879 2.259 -2.458 1.00 0.00 H new ATOM 0 HD11 ILE C 32 113.316 1.838 -0.051 1.00 0.00 H new ATOM 0 HD12 ILE C 32 114.549 1.536 -1.297 1.00 0.00 H new ATOM 0 HD13 ILE C 32 114.951 2.517 0.132 1.00 0.00 H new ATOM 260 N GLY C 33 118.205 3.835 -0.975 1.00 0.00 N ATOM 261 CA GLY C 33 119.575 3.619 -1.396 1.00 0.00 C ATOM 262 C GLY C 33 119.907 2.156 -1.212 1.00 0.00 C ATOM 263 O GLY C 33 119.385 1.510 -0.298 1.00 0.00 O ATOM 0 H GLY C 33 117.956 3.358 -0.109 1.00 0.00 H new ATOM 0 HA2 GLY C 33 119.701 3.908 -2.439 1.00 0.00 H new ATOM 0 HA3 GLY C 33 120.254 4.238 -0.810 1.00 0.00 H new ATOM 267 N LEU C 34 120.757 1.636 -2.080 1.00 0.00 N ATOM 268 CA LEU C 34 121.145 0.231 -2.005 1.00 0.00 C ATOM 269 C LEU C 34 122.645 0.090 -1.913 1.00 0.00 C ATOM 270 O LEU C 34 123.401 0.954 -2.351 1.00 0.00 O ATOM 271 CB LEU C 34 120.634 -0.559 -3.214 1.00 0.00 C ATOM 272 CG LEU C 34 120.845 0.257 -4.490 1.00 0.00 C ATOM 273 CD1 LEU C 34 121.330 -0.681 -5.599 1.00 0.00 C ATOM 274 CD2 LEU C 34 119.524 0.945 -4.877 1.00 0.00 C ATOM 0 H LEU C 34 121.191 2.158 -2.841 1.00 0.00 H new ATOM 0 HA LEU C 34 120.689 -0.178 -1.103 1.00 0.00 H new ATOM 0 HB2 LEU C 34 121.161 -1.510 -3.288 1.00 0.00 H new ATOM 0 HB3 LEU C 34 119.576 -0.790 -3.089 1.00 0.00 H new ATOM 0 HG LEU C 34 121.597 1.030 -4.334 1.00 0.00 H new ATOM 0 HD11 LEU C 34 121.485 -0.112 -6.515 1.00 0.00 H new ATOM 0 HD12 LEU C 34 122.269 -1.146 -5.298 1.00 0.00 H new ATOM 0 HD13 LEU C 34 120.582 -1.454 -5.774 1.00 0.00 H new ATOM 0 HD21 LEU C 34 119.670 1.528 -5.786 1.00 0.00 H new ATOM 0 HD22 LEU C 34 118.757 0.190 -5.049 1.00 0.00 H new ATOM 0 HD23 LEU C 34 119.208 1.605 -4.070 1.00 0.00 H new ATOM 286 N MET C 35 123.043 -1.025 -1.339 1.00 0.00 N ATOM 287 CA MET C 35 124.453 -1.357 -1.161 1.00 0.00 C ATOM 288 C MET C 35 124.867 -2.337 -2.260 1.00 0.00 C ATOM 289 O MET C 35 124.048 -3.135 -2.698 1.00 0.00 O ATOM 290 CB MET C 35 124.672 -1.931 0.267 1.00 0.00 C ATOM 291 CG MET C 35 125.106 -3.404 0.234 1.00 0.00 C ATOM 292 SD MET C 35 125.067 -4.095 1.903 1.00 0.00 S ATOM 293 CE MET C 35 126.349 -3.041 2.614 1.00 0.00 C ATOM 0 H MET C 35 122.402 -1.733 -0.980 1.00 0.00 H new ATOM 0 HA MET C 35 125.081 -0.471 -1.250 1.00 0.00 H new ATOM 0 HB2 MET C 35 125.430 -1.341 0.783 1.00 0.00 H new ATOM 0 HB3 MET C 35 123.750 -1.837 0.841 1.00 0.00 H new ATOM 0 HG2 MET C 35 124.444 -3.972 -0.420 1.00 0.00 H new ATOM 0 HG3 MET C 35 126.111 -3.487 -0.180 1.00 0.00 H new ATOM 0 HE1 MET C 35 126.923 -3.610 3.345 1.00 0.00 H new ATOM 0 HE2 MET C 35 127.013 -2.692 1.823 1.00 0.00 H new ATOM 0 HE3 MET C 35 125.886 -2.184 3.103 1.00 0.00 H new ATOM 303 N VAL C 36 126.122 -2.246 -2.711 1.00 0.00 N ATOM 304 CA VAL C 36 126.633 -3.119 -3.780 1.00 0.00 C ATOM 305 C VAL C 36 127.904 -3.836 -3.320 1.00 0.00 C ATOM 306 O VAL C 36 128.865 -3.184 -2.902 1.00 0.00 O ATOM 307 CB VAL C 36 126.965 -2.282 -5.027 1.00 0.00 C ATOM 308 CG1 VAL C 36 127.267 -3.207 -6.212 1.00 0.00 C ATOM 309 CG2 VAL C 36 125.788 -1.358 -5.387 1.00 0.00 C ATOM 0 H VAL C 36 126.805 -1.578 -2.354 1.00 0.00 H new ATOM 0 HA VAL C 36 125.864 -3.854 -4.018 1.00 0.00 H new ATOM 0 HB VAL C 36 127.841 -1.671 -4.808 1.00 0.00 H new ATOM 0 HG11 VAL C 36 127.501 -2.607 -7.091 1.00 0.00 H new ATOM 0 HG12 VAL C 36 128.118 -3.843 -5.969 1.00 0.00 H new ATOM 0 HG13 VAL C 36 126.396 -3.829 -6.419 1.00 0.00 H new ATOM 0 HG21 VAL C 36 126.041 -0.774 -6.272 1.00 0.00 H new ATOM 0 HG22 VAL C 36 124.902 -1.960 -5.591 1.00 0.00 H new ATOM 0 HG23 VAL C 36 125.586 -0.685 -4.554 1.00 0.00 H new ATOM 319 N GLY C 37 127.904 -5.175 -3.411 1.00 0.00 N ATOM 320 CA GLY C 37 129.064 -5.974 -3.008 1.00 0.00 C ATOM 321 C GLY C 37 129.364 -5.779 -1.528 1.00 0.00 C ATOM 322 O GLY C 37 130.527 -5.778 -1.114 1.00 0.00 O ATOM 0 H GLY C 37 127.116 -5.722 -3.759 1.00 0.00 H new ATOM 0 HA2 GLY C 37 128.874 -7.028 -3.210 1.00 0.00 H new ATOM 0 HA3 GLY C 37 129.933 -5.688 -3.601 1.00 0.00 H new ATOM 326 N GLY C 38 128.302 -5.606 -0.744 1.00 0.00 N ATOM 327 CA GLY C 38 128.423 -5.397 0.692 1.00 0.00 C ATOM 328 C GLY C 38 128.414 -6.698 1.455 1.00 0.00 C ATOM 329 O GLY C 38 128.516 -7.785 0.877 1.00 0.00 O ATOM 0 H GLY C 38 127.341 -5.607 -1.086 1.00 0.00 H new ATOM 0 HA2 GLY C 38 129.347 -4.859 0.903 1.00 0.00 H new ATOM 0 HA3 GLY C 38 127.602 -4.768 1.037 1.00 0.00 H new ATOM 333 N VAL C 39 128.293 -6.558 2.767 1.00 0.00 N ATOM 334 CA VAL C 39 128.261 -7.697 3.663 1.00 0.00 C ATOM 335 C VAL C 39 127.223 -7.457 4.757 1.00 0.00 C ATOM 336 O VAL C 39 127.346 -6.519 5.548 1.00 0.00 O ATOM 337 CB VAL C 39 129.656 -7.925 4.270 1.00 0.00 C ATOM 338 CG1 VAL C 39 130.650 -8.321 3.167 1.00 0.00 C ATOM 339 CG2 VAL C 39 130.160 -6.650 4.977 1.00 0.00 C ATOM 0 H VAL C 39 128.215 -5.655 3.235 1.00 0.00 H new ATOM 0 HA VAL C 39 127.980 -8.592 3.108 1.00 0.00 H new ATOM 0 HB VAL C 39 129.581 -8.728 5.003 1.00 0.00 H new ATOM 0 HG11 VAL C 39 131.635 -8.481 3.605 1.00 0.00 H new ATOM 0 HG12 VAL C 39 130.313 -9.240 2.687 1.00 0.00 H new ATOM 0 HG13 VAL C 39 130.707 -7.524 2.426 1.00 0.00 H new ATOM 0 HG21 VAL C 39 131.148 -6.834 5.399 1.00 0.00 H new ATOM 0 HG22 VAL C 39 130.219 -5.834 4.257 1.00 0.00 H new ATOM 0 HG23 VAL C 39 129.469 -6.380 5.776 1.00 0.00 H new ATOM 349 N VAL C 40 126.194 -8.308 4.778 1.00 0.00 N ATOM 350 CA VAL C 40 125.111 -8.196 5.758 1.00 0.00 C ATOM 351 C VAL C 40 124.569 -9.589 6.093 1.00 0.00 C ATOM 352 O VAL C 40 124.533 -9.930 7.265 1.00 0.00 O ATOM 353 CB VAL C 40 123.974 -7.313 5.190 1.00 0.00 C ATOM 354 CG1 VAL C 40 122.874 -7.120 6.248 1.00 0.00 C ATOM 355 CG2 VAL C 40 124.523 -5.933 4.780 1.00 0.00 C ATOM 356 OXT VAL C 40 124.198 -10.295 5.167 1.00 0.00 O ATOM 0 H VAL C 40 126.088 -9.085 4.125 1.00 0.00 H new ATOM 0 HA VAL C 40 125.499 -7.735 6.666 1.00 0.00 H new ATOM 0 HB VAL C 40 123.557 -7.813 4.316 1.00 0.00 H new ATOM 0 HG11 VAL C 40 122.079 -6.497 5.837 1.00 0.00 H new ATOM 0 HG12 VAL C 40 122.466 -8.091 6.529 1.00 0.00 H new ATOM 0 HG13 VAL C 40 123.297 -6.635 7.128 1.00 0.00 H new ATOM 0 HG21 VAL C 40 123.712 -5.322 4.382 1.00 0.00 H new ATOM 0 HG22 VAL C 40 124.955 -5.440 5.651 1.00 0.00 H new ATOM 0 HG23 VAL C 40 125.291 -6.059 4.016 1.00 0.00 H new TER 366 VAL C 40 ATOM 367 N GLY E 14 131.136 -1.749 1.084 1.00 0.00 N ATOM 368 CA GLY E 14 130.924 -1.899 -0.357 1.00 0.00 C ATOM 369 C GLY E 14 130.496 -0.578 -0.997 1.00 0.00 C ATOM 370 O GLY E 14 130.346 0.437 -0.312 1.00 0.00 O ATOM 0 HA2 GLY E 14 131.842 -2.252 -0.827 1.00 0.00 H new ATOM 0 HA3 GLY E 14 130.161 -2.657 -0.537 1.00 0.00 H new ATOM 374 N GLU E 15 130.278 -0.614 -2.316 1.00 0.00 N ATOM 375 CA GLU E 15 129.837 0.568 -3.058 1.00 0.00 C ATOM 376 C GLU E 15 128.349 0.767 -2.803 1.00 0.00 C ATOM 377 O GLU E 15 127.564 -0.149 -3.017 1.00 0.00 O ATOM 378 CB GLU E 15 130.114 0.361 -4.561 1.00 0.00 C ATOM 379 CG GLU E 15 129.653 1.577 -5.380 1.00 0.00 C ATOM 380 CD GLU E 15 129.885 1.318 -6.870 1.00 0.00 C ATOM 381 OE1 GLU E 15 131.038 1.244 -7.265 1.00 0.00 O ATOM 382 OE2 GLU E 15 128.909 1.187 -7.593 1.00 0.00 O ATOM 0 H GLU E 15 130.400 -1.449 -2.889 1.00 0.00 H new ATOM 0 HA GLU E 15 130.379 1.455 -2.730 1.00 0.00 H new ATOM 0 HB2 GLU E 15 131.180 0.195 -4.718 1.00 0.00 H new ATOM 0 HB3 GLU E 15 129.598 -0.533 -4.910 1.00 0.00 H new ATOM 0 HG2 GLU E 15 128.596 1.771 -5.196 1.00 0.00 H new ATOM 0 HG3 GLU E 15 130.200 2.466 -5.067 1.00 0.00 H new ATOM 389 N ILE E 16 127.971 1.959 -2.330 1.00 0.00 N ATOM 390 CA ILE E 16 126.566 2.237 -2.028 1.00 0.00 C ATOM 391 C ILE E 16 125.963 3.228 -3.034 1.00 0.00 C ATOM 392 O ILE E 16 126.521 4.294 -3.302 1.00 0.00 O ATOM 393 CB ILE E 16 126.431 2.746 -0.578 1.00 0.00 C ATOM 394 CG1 ILE E 16 127.129 1.734 0.385 1.00 0.00 C ATOM 395 CG2 ILE E 16 124.943 2.883 -0.234 1.00 0.00 C ATOM 396 CD1 ILE E 16 126.417 1.633 1.751 1.00 0.00 C ATOM 0 H ILE E 16 128.608 2.735 -2.151 1.00 0.00 H new ATOM 0 HA ILE E 16 126.000 1.310 -2.121 1.00 0.00 H new ATOM 0 HB ILE E 16 126.909 3.720 -0.470 1.00 0.00 H new ATOM 0 HG12 ILE E 16 127.153 0.750 -0.082 1.00 0.00 H new ATOM 0 HG13 ILE E 16 128.164 2.039 0.540 1.00 0.00 H new ATOM 0 HG21 ILE E 16 124.838 3.242 0.790 1.00 0.00 H new ATOM 0 HG22 ILE E 16 124.475 3.592 -0.917 1.00 0.00 H new ATOM 0 HG23 ILE E 16 124.457 1.912 -0.329 1.00 0.00 H new ATOM 0 HD11 ILE E 16 126.942 0.916 2.383 1.00 0.00 H new ATOM 0 HD12 ILE E 16 126.416 2.610 2.234 1.00 0.00 H new ATOM 0 HD13 ILE E 16 125.390 1.301 1.602 1.00 0.00 H new ATOM 408 N VAL E 17 124.819 2.816 -3.590 1.00 0.00 N ATOM 409 CA VAL E 17 124.068 3.576 -4.600 1.00 0.00 C ATOM 410 C VAL E 17 122.799 4.208 -4.017 1.00 0.00 C ATOM 411 O VAL E 17 122.148 3.626 -3.151 1.00 0.00 O ATOM 412 CB VAL E 17 123.678 2.611 -5.739 1.00 0.00 C ATOM 413 CG1 VAL E 17 122.654 3.258 -6.696 1.00 0.00 C ATOM 414 CG2 VAL E 17 124.934 2.211 -6.518 1.00 0.00 C ATOM 0 H VAL E 17 124.379 1.928 -3.347 1.00 0.00 H new ATOM 0 HA VAL E 17 124.700 4.386 -4.965 1.00 0.00 H new ATOM 0 HB VAL E 17 123.216 1.728 -5.299 1.00 0.00 H new ATOM 0 HG11 VAL E 17 122.400 2.553 -7.487 1.00 0.00 H new ATOM 0 HG12 VAL E 17 121.753 3.521 -6.141 1.00 0.00 H new ATOM 0 HG13 VAL E 17 123.085 4.157 -7.136 1.00 0.00 H new ATOM 0 HG21 VAL E 17 124.661 1.529 -7.323 1.00 0.00 H new ATOM 0 HG22 VAL E 17 125.400 3.102 -6.939 1.00 0.00 H new ATOM 0 HG23 VAL E 17 125.636 1.717 -5.847 1.00 0.00 H new ATOM 424 N TYR E 18 122.449 5.391 -4.538 1.00 0.00 N ATOM 425 CA TYR E 18 121.237 6.112 -4.124 1.00 0.00 C ATOM 426 C TYR E 18 120.400 6.448 -5.359 1.00 0.00 C ATOM 427 O TYR E 18 120.927 6.996 -6.331 1.00 0.00 O ATOM 428 CB TYR E 18 121.613 7.398 -3.374 1.00 0.00 C ATOM 429 CG TYR E 18 122.009 7.054 -1.968 1.00 0.00 C ATOM 430 CD1 TYR E 18 123.252 6.476 -1.716 1.00 0.00 C ATOM 431 CD2 TYR E 18 121.125 7.310 -0.915 1.00 0.00 C ATOM 432 CE1 TYR E 18 123.614 6.153 -0.414 1.00 0.00 C ATOM 433 CE2 TYR E 18 121.482 6.992 0.391 1.00 0.00 C ATOM 434 CZ TYR E 18 122.735 6.408 0.645 1.00 0.00 C ATOM 435 OH TYR E 18 123.111 6.087 1.928 1.00 0.00 O ATOM 0 H TYR E 18 122.993 5.873 -5.253 1.00 0.00 H new ATOM 0 HA TYR E 18 120.654 5.480 -3.454 1.00 0.00 H new ATOM 0 HB2 TYR E 18 122.435 7.902 -3.882 1.00 0.00 H new ATOM 0 HB3 TYR E 18 120.770 8.089 -3.368 1.00 0.00 H new ATOM 0 HD1 TYR E 18 123.933 6.280 -2.531 1.00 0.00 H new ATOM 0 HD2 TYR E 18 120.162 7.756 -1.117 1.00 0.00 H new ATOM 0 HE1 TYR E 18 124.577 5.704 -0.219 1.00 0.00 H new ATOM 0 HE2 TYR E 18 120.801 7.192 1.205 1.00 0.00 H new ATOM 0 HH TYR E 18 122.707 5.231 2.183 1.00 0.00 H new ATOM 445 N LEU E 19 119.100 6.111 -5.317 1.00 0.00 N ATOM 446 CA LEU E 19 118.199 6.379 -6.451 1.00 0.00 C ATOM 447 C LEU E 19 116.972 7.210 -6.011 1.00 0.00 C ATOM 448 O LEU E 19 115.827 6.845 -6.305 1.00 0.00 O ATOM 449 CB LEU E 19 117.732 5.045 -7.079 1.00 0.00 C ATOM 450 CG LEU E 19 118.935 4.219 -7.590 1.00 0.00 C ATOM 451 CD1 LEU E 19 118.495 2.781 -7.917 1.00 0.00 C ATOM 452 CD2 LEU E 19 119.535 4.868 -8.848 1.00 0.00 C ATOM 0 H LEU E 19 118.653 5.658 -4.520 1.00 0.00 H new ATOM 0 HA LEU E 19 118.751 6.958 -7.191 1.00 0.00 H new ATOM 0 HB2 LEU E 19 117.177 4.466 -6.340 1.00 0.00 H new ATOM 0 HB3 LEU E 19 117.049 5.247 -7.904 1.00 0.00 H new ATOM 0 HG LEU E 19 119.691 4.194 -6.805 1.00 0.00 H new ATOM 0 HD11 LEU E 19 119.352 2.211 -8.276 1.00 0.00 H new ATOM 0 HD12 LEU E 19 118.096 2.310 -7.019 1.00 0.00 H new ATOM 0 HD13 LEU E 19 117.725 2.803 -8.688 1.00 0.00 H new ATOM 0 HD21 LEU E 19 120.381 4.275 -9.195 1.00 0.00 H new ATOM 0 HD22 LEU E 19 118.778 4.913 -9.631 1.00 0.00 H new ATOM 0 HD23 LEU E 19 119.873 5.877 -8.611 1.00 0.00 H new ATOM 464 N PRO E 20 117.179 8.332 -5.340 1.00 0.00 N ATOM 465 CA PRO E 20 116.054 9.217 -4.894 1.00 0.00 C ATOM 466 C PRO E 20 115.286 9.777 -6.085 1.00 0.00 C ATOM 467 O PRO E 20 114.147 10.234 -5.948 1.00 0.00 O ATOM 468 CB PRO E 20 116.744 10.353 -4.122 1.00 0.00 C ATOM 469 CG PRO E 20 118.171 10.330 -4.563 1.00 0.00 C ATOM 470 CD PRO E 20 118.485 8.884 -4.939 1.00 0.00 C ATOM 0 HA PRO E 20 115.326 8.676 -4.290 1.00 0.00 H new ATOM 0 HB2 PRO E 20 116.281 11.315 -4.343 1.00 0.00 H new ATOM 0 HB3 PRO E 20 116.664 10.201 -3.046 1.00 0.00 H new ATOM 0 HG2 PRO E 20 118.325 10.994 -5.413 1.00 0.00 H new ATOM 0 HG3 PRO E 20 118.829 10.675 -3.766 1.00 0.00 H new ATOM 0 HD2 PRO E 20 119.208 8.831 -5.753 1.00 0.00 H new ATOM 0 HD3 PRO E 20 118.910 8.336 -4.098 1.00 0.00 H new ATOM 478 N ASN E 21 115.943 9.762 -7.244 1.00 0.00 N ATOM 479 CA ASN E 21 115.367 10.291 -8.473 1.00 0.00 C ATOM 480 C ASN E 21 114.468 9.272 -9.172 1.00 0.00 C ATOM 481 O ASN E 21 113.820 9.612 -10.163 1.00 0.00 O ATOM 482 CB ASN E 21 116.506 10.697 -9.419 1.00 0.00 C ATOM 483 CG ASN E 21 117.390 11.772 -8.776 1.00 0.00 C ATOM 484 OD1 ASN E 21 116.948 12.504 -7.889 1.00 0.00 O ATOM 485 ND2 ASN E 21 118.623 11.913 -9.180 1.00 0.00 N ATOM 0 H ASN E 21 116.884 9.384 -7.354 1.00 0.00 H new ATOM 0 HA ASN E 21 114.750 11.152 -8.215 1.00 0.00 H new ATOM 0 HB2 ASN E 21 117.109 9.823 -9.665 1.00 0.00 H new ATOM 0 HB3 ASN E 21 116.091 11.072 -10.355 1.00 0.00 H new ATOM 0 HD21 ASN E 21 119.218 12.628 -8.762 1.00 0.00 H new ATOM 0 HD22 ASN E 21 118.991 11.308 -9.914 1.00 0.00 H new ATOM 492 N LEU E 22 114.430 8.028 -8.670 1.00 0.00 N ATOM 493 CA LEU E 22 113.605 6.992 -9.289 1.00 0.00 C ATOM 494 C LEU E 22 112.242 6.899 -8.623 1.00 0.00 C ATOM 495 O LEU E 22 112.137 6.855 -7.394 1.00 0.00 O ATOM 496 CB LEU E 22 114.322 5.638 -9.218 1.00 0.00 C ATOM 497 CG LEU E 22 115.222 5.452 -10.455 1.00 0.00 C ATOM 498 CD1 LEU E 22 116.243 6.598 -10.566 1.00 0.00 C ATOM 499 CD2 LEU E 22 115.951 4.101 -10.354 1.00 0.00 C ATOM 0 H LEU E 22 114.954 7.723 -7.850 1.00 0.00 H new ATOM 0 HA LEU E 22 113.450 7.263 -10.333 1.00 0.00 H new ATOM 0 HB2 LEU E 22 114.922 5.582 -8.310 1.00 0.00 H new ATOM 0 HB3 LEU E 22 113.590 4.832 -9.166 1.00 0.00 H new ATOM 0 HG LEU E 22 114.600 5.466 -11.350 1.00 0.00 H new ATOM 0 HD11 LEU E 22 116.867 6.445 -11.446 1.00 0.00 H new ATOM 0 HD12 LEU E 22 115.716 7.548 -10.655 1.00 0.00 H new ATOM 0 HD13 LEU E 22 116.870 6.614 -9.675 1.00 0.00 H new ATOM 0 HD21 LEU E 22 116.589 3.966 -11.227 1.00 0.00 H new ATOM 0 HD22 LEU E 22 116.563 4.084 -9.452 1.00 0.00 H new ATOM 0 HD23 LEU E 22 115.219 3.295 -10.311 1.00 0.00 H new ATOM 511 N ASN E 23 111.205 6.853 -9.459 1.00 0.00 N ATOM 512 CA ASN E 23 109.828 6.745 -8.973 1.00 0.00 C ATOM 513 C ASN E 23 109.588 5.335 -8.419 1.00 0.00 C ATOM 514 O ASN E 23 110.327 4.405 -8.764 1.00 0.00 O ATOM 515 CB ASN E 23 108.833 7.060 -10.106 1.00 0.00 C ATOM 516 CG ASN E 23 109.227 6.336 -11.391 1.00 0.00 C ATOM 517 OD1 ASN E 23 108.985 5.142 -11.528 1.00 0.00 O ATOM 518 ND2 ASN E 23 109.823 6.995 -12.346 1.00 0.00 N ATOM 0 H ASN E 23 111.291 6.889 -10.475 1.00 0.00 H new ATOM 0 HA ASN E 23 109.672 7.470 -8.174 1.00 0.00 H new ATOM 0 HB2 ASN E 23 107.828 6.760 -9.808 1.00 0.00 H new ATOM 0 HB3 ASN E 23 108.805 8.135 -10.283 1.00 0.00 H new ATOM 0 HD21 ASN E 23 110.088 6.517 -13.207 1.00 0.00 H new ATOM 0 HD22 ASN E 23 110.024 7.988 -12.232 1.00 0.00 H new ATOM 525 N PRO E 24 108.594 5.153 -7.565 1.00 0.00 N ATOM 526 CA PRO E 24 108.297 3.814 -6.959 1.00 0.00 C ATOM 527 C PRO E 24 108.159 2.718 -8.012 1.00 0.00 C ATOM 528 O PRO E 24 108.554 1.574 -7.776 1.00 0.00 O ATOM 529 CB PRO E 24 106.974 4.031 -6.213 1.00 0.00 C ATOM 530 CG PRO E 24 106.918 5.495 -5.930 1.00 0.00 C ATOM 531 CD PRO E 24 107.653 6.185 -7.079 1.00 0.00 C ATOM 0 HA PRO E 24 109.104 3.476 -6.309 1.00 0.00 H new ATOM 0 HB2 PRO E 24 106.125 3.714 -6.818 1.00 0.00 H new ATOM 0 HB3 PRO E 24 106.942 3.451 -5.291 1.00 0.00 H new ATOM 0 HG2 PRO E 24 105.886 5.839 -5.867 1.00 0.00 H new ATOM 0 HG3 PRO E 24 107.389 5.724 -4.974 1.00 0.00 H new ATOM 0 HD2 PRO E 24 106.964 6.500 -7.863 1.00 0.00 H new ATOM 0 HD3 PRO E 24 108.178 7.078 -6.739 1.00 0.00 H new ATOM 539 N ASP E 25 107.612 3.075 -9.177 1.00 0.00 N ATOM 540 CA ASP E 25 107.448 2.109 -10.260 1.00 0.00 C ATOM 541 C ASP E 25 108.816 1.644 -10.765 1.00 0.00 C ATOM 542 O ASP E 25 109.036 0.445 -10.957 1.00 0.00 O ATOM 543 CB ASP E 25 106.644 2.731 -11.414 1.00 0.00 C ATOM 544 CG ASP E 25 105.236 3.107 -10.940 1.00 0.00 C ATOM 545 OD1 ASP E 25 104.480 2.205 -10.610 1.00 0.00 O ATOM 546 OD2 ASP E 25 104.932 4.290 -10.918 1.00 0.00 O ATOM 0 H ASP E 25 107.279 4.015 -9.391 1.00 0.00 H new ATOM 0 HA ASP E 25 106.902 1.247 -9.877 1.00 0.00 H new ATOM 0 HB2 ASP E 25 107.158 3.617 -11.788 1.00 0.00 H new ATOM 0 HB3 ASP E 25 106.580 2.026 -12.243 1.00 0.00 H new ATOM 551 N GLN E 26 109.734 2.601 -10.978 1.00 0.00 N ATOM 552 CA GLN E 26 111.067 2.284 -11.456 1.00 0.00 C ATOM 553 C GLN E 26 111.848 1.499 -10.401 1.00 0.00 C ATOM 554 O GLN E 26 112.523 0.521 -10.731 1.00 0.00 O ATOM 555 CB GLN E 26 111.804 3.575 -11.815 1.00 0.00 C ATOM 556 CG GLN E 26 113.088 3.240 -12.573 1.00 0.00 C ATOM 557 CD GLN E 26 112.761 2.625 -13.936 1.00 0.00 C ATOM 558 OE1 GLN E 26 113.232 1.532 -14.253 1.00 0.00 O ATOM 559 NE2 GLN E 26 111.978 3.261 -14.763 1.00 0.00 N ATOM 0 H GLN E 26 109.567 3.595 -10.824 1.00 0.00 H new ATOM 0 HA GLN E 26 110.983 1.661 -12.346 1.00 0.00 H new ATOM 0 HB2 GLN E 26 111.165 4.212 -12.426 1.00 0.00 H new ATOM 0 HB3 GLN E 26 112.040 4.135 -10.910 1.00 0.00 H new ATOM 0 HG2 GLN E 26 113.683 4.143 -12.708 1.00 0.00 H new ATOM 0 HG3 GLN E 26 113.691 2.545 -11.989 1.00 0.00 H new ATOM 0 HE21 GLN E 26 111.587 4.166 -14.501 1.00 0.00 H new ATOM 0 HE22 GLN E 26 111.756 2.853 -15.671 1.00 0.00 H new ATOM 568 N LEU E 27 111.744 1.923 -9.130 1.00 0.00 N ATOM 569 CA LEU E 27 112.443 1.227 -8.046 1.00 0.00 C ATOM 570 C LEU E 27 111.922 -0.205 -7.934 1.00 0.00 C ATOM 571 O LEU E 27 112.704 -1.142 -7.781 1.00 0.00 O ATOM 572 CB LEU E 27 112.259 1.958 -6.703 1.00 0.00 C ATOM 573 CG LEU E 27 112.931 3.345 -6.740 1.00 0.00 C ATOM 574 CD1 LEU E 27 112.650 4.100 -5.433 1.00 0.00 C ATOM 575 CD2 LEU E 27 114.455 3.199 -6.910 1.00 0.00 C ATOM 0 H LEU E 27 111.193 2.729 -8.835 1.00 0.00 H new ATOM 0 HA LEU E 27 113.508 1.213 -8.280 1.00 0.00 H new ATOM 0 HB2 LEU E 27 111.197 2.069 -6.486 1.00 0.00 H new ATOM 0 HB3 LEU E 27 112.688 1.362 -5.897 1.00 0.00 H new ATOM 0 HG LEU E 27 112.522 3.900 -7.584 1.00 0.00 H new ATOM 0 HD11 LEU E 27 113.129 5.079 -5.468 1.00 0.00 H new ATOM 0 HD12 LEU E 27 111.574 4.226 -5.310 1.00 0.00 H new ATOM 0 HD13 LEU E 27 113.047 3.532 -4.592 1.00 0.00 H new ATOM 0 HD21 LEU E 27 114.915 4.187 -6.934 1.00 0.00 H new ATOM 0 HD22 LEU E 27 114.862 2.630 -6.074 1.00 0.00 H new ATOM 0 HD23 LEU E 27 114.669 2.676 -7.842 1.00 0.00 H new ATOM 587 N CYS E 28 110.598 -0.367 -8.039 1.00 0.00 N ATOM 588 CA CYS E 28 109.992 -1.698 -7.974 1.00 0.00 C ATOM 589 C CYS E 28 110.439 -2.533 -9.176 1.00 0.00 C ATOM 590 O CYS E 28 110.718 -3.726 -9.040 1.00 0.00 O ATOM 591 CB CYS E 28 108.462 -1.588 -7.948 1.00 0.00 C ATOM 592 SG CYS E 28 107.932 -0.977 -6.327 1.00 0.00 S ATOM 0 H CYS E 28 109.935 0.397 -8.168 1.00 0.00 H new ATOM 0 HA CYS E 28 110.320 -2.189 -7.058 1.00 0.00 H new ATOM 0 HB2 CYS E 28 108.121 -0.913 -8.733 1.00 0.00 H new ATOM 0 HB3 CYS E 28 108.013 -2.561 -8.147 1.00 0.00 H new ATOM 597 N ALA E 29 110.516 -1.888 -10.348 1.00 0.00 N ATOM 598 CA ALA E 29 110.945 -2.569 -11.574 1.00 0.00 C ATOM 599 C ALA E 29 112.386 -3.054 -11.428 1.00 0.00 C ATOM 600 O ALA E 29 112.712 -4.196 -11.764 1.00 0.00 O ATOM 601 CB ALA E 29 110.854 -1.601 -12.761 1.00 0.00 C ATOM 0 H ALA E 29 110.288 -0.901 -10.471 1.00 0.00 H new ATOM 0 HA ALA E 29 110.294 -3.425 -11.748 1.00 0.00 H new ATOM 0 HB1 ALA E 29 111.173 -2.110 -13.671 1.00 0.00 H new ATOM 0 HB2 ALA E 29 109.824 -1.263 -12.877 1.00 0.00 H new ATOM 0 HB3 ALA E 29 111.500 -0.742 -12.580 1.00 0.00 H new ATOM 607 N PHE E 30 113.232 -2.163 -10.915 1.00 0.00 N ATOM 608 CA PHE E 30 114.646 -2.458 -10.699 1.00 0.00 C ATOM 609 C PHE E 30 114.807 -3.552 -9.643 1.00 0.00 C ATOM 610 O PHE E 30 115.489 -4.543 -9.871 1.00 0.00 O ATOM 611 CB PHE E 30 115.344 -1.161 -10.250 1.00 0.00 C ATOM 612 CG PHE E 30 116.794 -1.401 -9.858 1.00 0.00 C ATOM 613 CD1 PHE E 30 117.683 -2.021 -10.746 1.00 0.00 C ATOM 614 CD2 PHE E 30 117.250 -0.976 -8.601 1.00 0.00 C ATOM 615 CE1 PHE E 30 119.022 -2.214 -10.373 1.00 0.00 C ATOM 616 CE2 PHE E 30 118.589 -1.166 -8.237 1.00 0.00 C ATOM 617 CZ PHE E 30 119.471 -1.784 -9.121 1.00 0.00 C ATOM 0 H PHE E 30 112.958 -1.220 -10.639 1.00 0.00 H new ATOM 0 HA PHE E 30 115.099 -2.822 -11.621 1.00 0.00 H new ATOM 0 HB2 PHE E 30 115.303 -0.429 -11.057 1.00 0.00 H new ATOM 0 HB3 PHE E 30 114.806 -0.734 -9.404 1.00 0.00 H new ATOM 0 HD1 PHE E 30 117.338 -2.350 -11.715 1.00 0.00 H new ATOM 0 HD2 PHE E 30 116.567 -0.501 -7.912 1.00 0.00 H new ATOM 0 HE1 PHE E 30 119.707 -2.696 -11.055 1.00 0.00 H new ATOM 0 HE2 PHE E 30 118.938 -0.833 -7.271 1.00 0.00 H new ATOM 0 HZ PHE E 30 120.503 -1.931 -8.839 1.00 0.00 H new ATOM 627 N ILE E 31 114.173 -3.344 -8.493 1.00 0.00 N ATOM 628 CA ILE E 31 114.235 -4.288 -7.373 1.00 0.00 C ATOM 629 C ILE E 31 113.713 -5.681 -7.750 1.00 0.00 C ATOM 630 O ILE E 31 114.268 -6.690 -7.297 1.00 0.00 O ATOM 631 CB ILE E 31 113.433 -3.695 -6.196 1.00 0.00 C ATOM 632 CG1 ILE E 31 114.201 -2.496 -5.629 1.00 0.00 C ATOM 633 CG2 ILE E 31 113.224 -4.714 -5.068 1.00 0.00 C ATOM 634 CD1 ILE E 31 113.284 -1.665 -4.730 1.00 0.00 C ATOM 0 H ILE E 31 113.602 -2.519 -8.308 1.00 0.00 H new ATOM 0 HA ILE E 31 115.278 -4.427 -7.088 1.00 0.00 H new ATOM 0 HB ILE E 31 112.454 -3.401 -6.575 1.00 0.00 H new ATOM 0 HG12 ILE E 31 115.064 -2.842 -5.061 1.00 0.00 H new ATOM 0 HG13 ILE E 31 114.582 -1.879 -6.443 1.00 0.00 H new ATOM 0 HG21 ILE E 31 112.655 -4.252 -4.261 1.00 0.00 H new ATOM 0 HG22 ILE E 31 112.676 -5.575 -5.452 1.00 0.00 H new ATOM 0 HG23 ILE E 31 114.192 -5.040 -4.688 1.00 0.00 H new ATOM 0 HD11 ILE E 31 113.838 -0.815 -4.331 1.00 0.00 H new ATOM 0 HD12 ILE E 31 112.435 -1.305 -5.310 1.00 0.00 H new ATOM 0 HD13 ILE E 31 112.925 -2.282 -3.907 1.00 0.00 H new ATOM 646 N HIS E 32 112.653 -5.738 -8.562 1.00 0.00 N ATOM 647 CA HIS E 32 112.078 -7.024 -8.962 1.00 0.00 C ATOM 648 C HIS E 32 113.084 -7.815 -9.787 1.00 0.00 C ATOM 649 O HIS E 32 113.346 -8.989 -9.512 1.00 0.00 O ATOM 650 CB HIS E 32 110.799 -6.797 -9.782 1.00 0.00 C ATOM 651 CG HIS E 32 110.105 -8.112 -10.031 1.00 0.00 C ATOM 652 ND1 HIS E 32 110.638 -9.090 -10.857 1.00 0.00 N ATOM 653 CD2 HIS E 32 108.916 -8.622 -9.568 1.00 0.00 C ATOM 654 CE1 HIS E 32 109.779 -10.126 -10.866 1.00 0.00 C ATOM 655 NE2 HIS E 32 108.712 -9.893 -10.097 1.00 0.00 N ATOM 0 H HIS E 32 112.182 -4.921 -8.950 1.00 0.00 H new ATOM 0 HA HIS E 32 111.831 -7.591 -8.064 1.00 0.00 H new ATOM 0 HB2 HIS E 32 110.132 -6.119 -9.250 1.00 0.00 H new ATOM 0 HB3 HIS E 32 111.046 -6.321 -10.731 1.00 0.00 H new ATOM 0 HD2 HIS E 32 108.242 -8.113 -8.895 1.00 0.00 H new ATOM 0 HE1 HIS E 32 109.934 -11.036 -11.427 1.00 0.00 H new ATOM 0 HE2 HIS E 32 107.919 -10.513 -9.933 1.00 0.00 H new ATOM 664 N SER E 33 113.643 -7.152 -10.794 1.00 0.00 N ATOM 665 CA SER E 33 114.630 -7.767 -11.677 1.00 0.00 C ATOM 666 C SER E 33 115.947 -8.018 -10.943 1.00 0.00 C ATOM 667 O SER E 33 116.590 -9.053 -11.135 1.00 0.00 O ATOM 668 CB SER E 33 114.863 -6.844 -12.874 1.00 0.00 C ATOM 669 OG SER E 33 115.750 -7.465 -13.800 1.00 0.00 O ATOM 0 H SER E 33 113.428 -6.181 -11.021 1.00 0.00 H new ATOM 0 HA SER E 33 114.251 -8.731 -12.016 1.00 0.00 H new ATOM 0 HB2 SER E 33 113.914 -6.619 -13.361 1.00 0.00 H new ATOM 0 HB3 SER E 33 115.281 -5.895 -12.537 1.00 0.00 H new ATOM 0 HG SER E 33 115.651 -7.045 -14.680 1.00 0.00 H new ATOM 675 N LEU E 34 116.329 -7.052 -10.103 1.00 0.00 N ATOM 676 CA LEU E 34 117.564 -7.125 -9.317 1.00 0.00 C ATOM 677 C LEU E 34 117.571 -8.385 -8.448 1.00 0.00 C ATOM 678 O LEU E 34 118.601 -9.052 -8.309 1.00 0.00 O ATOM 679 CB LEU E 34 117.663 -5.853 -8.441 1.00 0.00 C ATOM 680 CG LEU E 34 118.912 -5.861 -7.536 1.00 0.00 C ATOM 681 CD1 LEU E 34 120.182 -5.989 -8.392 1.00 0.00 C ATOM 682 CD2 LEU E 34 118.956 -4.549 -6.723 1.00 0.00 C ATOM 0 H LEU E 34 115.792 -6.199 -9.949 1.00 0.00 H new ATOM 0 HA LEU E 34 118.426 -7.179 -9.982 1.00 0.00 H new ATOM 0 HB2 LEU E 34 117.688 -4.973 -9.084 1.00 0.00 H new ATOM 0 HB3 LEU E 34 116.769 -5.770 -7.822 1.00 0.00 H new ATOM 0 HG LEU E 34 118.862 -6.711 -6.856 1.00 0.00 H new ATOM 0 HD11 LEU E 34 121.059 -5.994 -7.744 1.00 0.00 H new ATOM 0 HD12 LEU E 34 120.146 -6.919 -8.960 1.00 0.00 H new ATOM 0 HD13 LEU E 34 120.244 -5.146 -9.080 1.00 0.00 H new ATOM 0 HD21 LEU E 34 119.837 -4.548 -6.081 1.00 0.00 H new ATOM 0 HD22 LEU E 34 119.003 -3.700 -7.405 1.00 0.00 H new ATOM 0 HD23 LEU E 34 118.059 -4.471 -6.109 1.00 0.00 H new ATOM 694 N HIS E 35 116.412 -8.692 -7.871 1.00 0.00 N ATOM 695 CA HIS E 35 116.266 -9.863 -7.013 1.00 0.00 C ATOM 696 C HIS E 35 116.055 -11.138 -7.840 1.00 0.00 C ATOM 697 O HIS E 35 116.493 -12.220 -7.442 1.00 0.00 O ATOM 698 CB HIS E 35 115.076 -9.651 -6.071 1.00 0.00 C ATOM 699 CG HIS E 35 115.237 -10.515 -4.843 1.00 0.00 C ATOM 700 ND1 HIS E 35 115.531 -11.867 -4.925 1.00 0.00 N ATOM 701 CD2 HIS E 35 115.147 -10.233 -3.502 1.00 0.00 C ATOM 702 CE1 HIS E 35 115.608 -12.342 -3.669 1.00 0.00 C ATOM 703 NE2 HIS E 35 115.382 -11.388 -2.762 1.00 0.00 N ATOM 0 H HIS E 35 115.559 -8.144 -7.983 1.00 0.00 H new ATOM 0 HA HIS E 35 117.182 -9.987 -6.436 1.00 0.00 H new ATOM 0 HB2 HIS E 35 115.011 -8.602 -5.783 1.00 0.00 H new ATOM 0 HB3 HIS E 35 114.146 -9.900 -6.583 1.00 0.00 H new ATOM 0 HD1 HIS E 35 115.665 -12.404 -5.782 1.00 0.00 H new ATOM 0 HD2 HIS E 35 114.927 -9.261 -3.085 1.00 0.00 H new ATOM 0 HE1 HIS E 35 115.826 -13.371 -3.423 1.00 0.00 H new ATOM 712 N ASP E 36 115.365 -10.999 -8.980 1.00 0.00 N ATOM 713 CA ASP E 36 115.074 -12.141 -9.855 1.00 0.00 C ATOM 714 C ASP E 36 116.356 -12.838 -10.328 1.00 0.00 C ATOM 715 O ASP E 36 116.394 -14.068 -10.417 1.00 0.00 O ATOM 716 CB ASP E 36 114.265 -11.671 -11.072 1.00 0.00 C ATOM 717 CG ASP E 36 113.800 -12.874 -11.899 1.00 0.00 C ATOM 718 OD1 ASP E 36 112.773 -13.440 -11.561 1.00 0.00 O ATOM 719 OD2 ASP E 36 114.480 -13.211 -12.856 1.00 0.00 O ATOM 0 H ASP E 36 114.999 -10.109 -9.317 1.00 0.00 H new ATOM 0 HA ASP E 36 114.494 -12.861 -9.278 1.00 0.00 H new ATOM 0 HB2 ASP E 36 113.402 -11.093 -10.742 1.00 0.00 H new ATOM 0 HB3 ASP E 36 114.874 -11.011 -11.689 1.00 0.00 H new ATOM 724 N ASP E 37 117.392 -12.048 -10.637 1.00 0.00 N ATOM 725 CA ASP E 37 118.665 -12.602 -11.109 1.00 0.00 C ATOM 726 C ASP E 37 119.850 -11.839 -10.496 1.00 0.00 C ATOM 727 O ASP E 37 120.373 -10.898 -11.104 1.00 0.00 O ATOM 728 CB ASP E 37 118.731 -12.539 -12.646 1.00 0.00 C ATOM 729 CG ASP E 37 119.875 -13.415 -13.190 1.00 0.00 C ATOM 730 OD1 ASP E 37 120.945 -13.426 -12.594 1.00 0.00 O ATOM 731 OD2 ASP E 37 119.666 -14.054 -14.208 1.00 0.00 O ATOM 0 H ASP E 37 117.374 -11.030 -10.569 1.00 0.00 H new ATOM 0 HA ASP E 37 118.727 -13.643 -10.793 1.00 0.00 H new ATOM 0 HB2 ASP E 37 117.782 -12.872 -13.067 1.00 0.00 H new ATOM 0 HB3 ASP E 37 118.877 -11.507 -12.965 1.00 0.00 H new ATOM 736 N PRO E 38 120.285 -12.235 -9.318 1.00 0.00 N ATOM 737 CA PRO E 38 121.440 -11.582 -8.626 1.00 0.00 C ATOM 738 C PRO E 38 122.701 -11.559 -9.500 1.00 0.00 C ATOM 739 O PRO E 38 123.563 -10.696 -9.327 1.00 0.00 O ATOM 740 CB PRO E 38 121.654 -12.439 -7.369 1.00 0.00 C ATOM 741 CG PRO E 38 120.363 -13.156 -7.144 1.00 0.00 C ATOM 742 CD PRO E 38 119.725 -13.340 -8.519 1.00 0.00 C ATOM 0 HA PRO E 38 121.238 -10.536 -8.397 1.00 0.00 H new ATOM 0 HB2 PRO E 38 122.474 -13.143 -7.510 1.00 0.00 H new ATOM 0 HB3 PRO E 38 121.912 -11.818 -6.511 1.00 0.00 H new ATOM 0 HG2 PRO E 38 120.533 -14.119 -6.663 1.00 0.00 H new ATOM 0 HG3 PRO E 38 119.710 -12.582 -6.487 1.00 0.00 H new ATOM 0 HD2 PRO E 38 119.974 -14.310 -8.949 1.00 0.00 H new ATOM 0 HD3 PRO E 38 118.638 -13.284 -8.466 1.00 0.00 H new ATOM 750 N SER E 39 122.800 -12.513 -10.433 1.00 0.00 N ATOM 751 CA SER E 39 123.961 -12.587 -11.329 1.00 0.00 C ATOM 752 C SER E 39 124.029 -11.338 -12.210 1.00 0.00 C ATOM 753 O SER E 39 125.116 -10.830 -12.501 1.00 0.00 O ATOM 754 CB SER E 39 123.883 -13.837 -12.221 1.00 0.00 C ATOM 755 OG SER E 39 123.195 -14.877 -11.535 1.00 0.00 O ATOM 0 H SER E 39 122.099 -13.237 -10.587 1.00 0.00 H new ATOM 0 HA SER E 39 124.859 -12.648 -10.714 1.00 0.00 H new ATOM 0 HB2 SER E 39 123.367 -13.599 -13.151 1.00 0.00 H new ATOM 0 HB3 SER E 39 124.887 -14.167 -12.488 1.00 0.00 H new ATOM 0 HG SER E 39 122.234 -14.804 -11.710 1.00 0.00 H new ATOM 761 N GLN E 40 122.853 -10.854 -12.627 1.00 0.00 N ATOM 762 CA GLN E 40 122.751 -9.663 -13.475 1.00 0.00 C ATOM 763 C GLN E 40 122.631 -8.393 -12.630 1.00 0.00 C ATOM 764 O GLN E 40 122.340 -7.327 -13.162 1.00 0.00 O ATOM 765 CB GLN E 40 121.514 -9.770 -14.389 1.00 0.00 C ATOM 766 CG GLN E 40 121.646 -10.972 -15.328 1.00 0.00 C ATOM 767 CD GLN E 40 120.476 -11.003 -16.311 1.00 0.00 C ATOM 768 OE1 GLN E 40 120.423 -10.197 -17.239 1.00 0.00 O ATOM 769 NE2 GLN E 40 119.532 -11.892 -16.165 1.00 0.00 N ATOM 0 H GLN E 40 121.954 -11.273 -12.388 1.00 0.00 H new ATOM 0 HA GLN E 40 123.658 -9.605 -14.077 1.00 0.00 H new ATOM 0 HB2 GLN E 40 120.614 -9.871 -13.783 1.00 0.00 H new ATOM 0 HB3 GLN E 40 121.405 -8.855 -14.972 1.00 0.00 H new ATOM 0 HG2 GLN E 40 122.588 -10.915 -15.874 1.00 0.00 H new ATOM 0 HG3 GLN E 40 121.669 -11.895 -14.749 1.00 0.00 H new ATOM 0 HE21 GLN E 40 119.576 -12.560 -15.396 1.00 0.00 H new ATOM 0 HE22 GLN E 40 118.751 -11.918 -16.820 1.00 0.00 H new ATOM 778 N SER E 41 122.834 -8.511 -11.313 1.00 0.00 N ATOM 779 CA SER E 41 122.709 -7.354 -10.414 1.00 0.00 C ATOM 780 C SER E 41 123.584 -6.174 -10.853 1.00 0.00 C ATOM 781 O SER E 41 123.147 -5.020 -10.790 1.00 0.00 O ATOM 782 CB SER E 41 123.080 -7.765 -8.989 1.00 0.00 C ATOM 783 OG SER E 41 124.434 -8.205 -8.955 1.00 0.00 O ATOM 0 H SER E 41 123.083 -9.384 -10.848 1.00 0.00 H new ATOM 0 HA SER E 41 121.671 -7.024 -10.454 1.00 0.00 H new ATOM 0 HB2 SER E 41 122.944 -6.923 -8.310 1.00 0.00 H new ATOM 0 HB3 SER E 41 122.420 -8.562 -8.646 1.00 0.00 H new ATOM 0 HG SER E 41 124.466 -9.175 -9.090 1.00 0.00 H new ATOM 789 N ALA E 42 124.805 -6.464 -11.303 1.00 0.00 N ATOM 790 CA ALA E 42 125.714 -5.410 -11.755 1.00 0.00 C ATOM 791 C ALA E 42 125.200 -4.775 -13.046 1.00 0.00 C ATOM 792 O ALA E 42 125.169 -3.547 -13.173 1.00 0.00 O ATOM 793 CB ALA E 42 127.116 -5.985 -11.981 1.00 0.00 C ATOM 0 H ALA E 42 125.185 -7.409 -11.364 1.00 0.00 H new ATOM 0 HA ALA E 42 125.762 -4.642 -10.983 1.00 0.00 H new ATOM 0 HB1 ALA E 42 127.784 -5.192 -12.317 1.00 0.00 H new ATOM 0 HB2 ALA E 42 127.492 -6.405 -11.048 1.00 0.00 H new ATOM 0 HB3 ALA E 42 127.071 -6.767 -12.739 1.00 0.00 H new ATOM 799 N ASN E 43 124.798 -5.621 -14.001 1.00 0.00 N ATOM 800 CA ASN E 43 124.285 -5.142 -15.287 1.00 0.00 C ATOM 801 C ASN E 43 122.994 -4.348 -15.104 1.00 0.00 C ATOM 802 O ASN E 43 122.865 -3.245 -15.636 1.00 0.00 O ATOM 803 CB ASN E 43 124.026 -6.330 -16.223 1.00 0.00 C ATOM 804 CG ASN E 43 125.350 -6.903 -16.719 1.00 0.00 C ATOM 805 OD1 ASN E 43 125.685 -8.051 -16.426 1.00 0.00 O ATOM 806 ND2 ASN E 43 126.125 -6.165 -17.463 1.00 0.00 N ATOM 0 H ASN E 43 124.818 -6.636 -13.907 1.00 0.00 H new ATOM 0 HA ASN E 43 125.036 -4.485 -15.725 1.00 0.00 H new ATOM 0 HB2 ASN E 43 123.461 -7.100 -15.698 1.00 0.00 H new ATOM 0 HB3 ASN E 43 123.419 -6.010 -17.070 1.00 0.00 H new ATOM 0 HD21 ASN E 43 127.011 -6.538 -17.804 1.00 0.00 H new ATOM 0 HD22 ASN E 43 125.845 -5.214 -17.705 1.00 0.00 H new ATOM 813 N LEU E 44 122.051 -4.921 -14.350 1.00 0.00 N ATOM 814 CA LEU E 44 120.756 -4.280 -14.088 1.00 0.00 C ATOM 815 C LEU E 44 120.955 -2.924 -13.426 1.00 0.00 C ATOM 816 O LEU E 44 120.336 -1.932 -13.821 1.00 0.00 O ATOM 817 CB LEU E 44 119.905 -5.176 -13.176 1.00 0.00 C ATOM 818 CG LEU E 44 119.565 -6.491 -13.899 1.00 0.00 C ATOM 819 CD1 LEU E 44 119.051 -7.523 -12.889 1.00 0.00 C ATOM 820 CD2 LEU E 44 118.491 -6.233 -14.965 1.00 0.00 C ATOM 0 H LEU E 44 122.160 -5.833 -13.907 1.00 0.00 H new ATOM 0 HA LEU E 44 120.243 -4.136 -15.039 1.00 0.00 H new ATOM 0 HB2 LEU E 44 120.446 -5.388 -12.254 1.00 0.00 H new ATOM 0 HB3 LEU E 44 118.988 -4.658 -12.896 1.00 0.00 H new ATOM 0 HG LEU E 44 120.464 -6.877 -14.379 1.00 0.00 H new ATOM 0 HD11 LEU E 44 118.812 -8.452 -13.407 1.00 0.00 H new ATOM 0 HD12 LEU E 44 119.820 -7.713 -12.140 1.00 0.00 H new ATOM 0 HD13 LEU E 44 118.155 -7.139 -12.401 1.00 0.00 H new ATOM 0 HD21 LEU E 44 118.253 -7.166 -15.475 1.00 0.00 H new ATOM 0 HD22 LEU E 44 117.593 -5.840 -14.489 1.00 0.00 H new ATOM 0 HD23 LEU E 44 118.864 -5.509 -15.689 1.00 0.00 H new ATOM 832 N LEU E 45 121.846 -2.889 -12.432 1.00 0.00 N ATOM 833 CA LEU E 45 122.157 -1.647 -11.731 1.00 0.00 C ATOM 834 C LEU E 45 122.766 -0.645 -12.702 1.00 0.00 C ATOM 835 O LEU E 45 122.443 0.533 -12.647 1.00 0.00 O ATOM 836 CB LEU E 45 123.095 -1.931 -10.554 1.00 0.00 C ATOM 837 CG LEU E 45 123.616 -0.624 -9.913 1.00 0.00 C ATOM 838 CD1 LEU E 45 122.471 0.388 -9.625 1.00 0.00 C ATOM 839 CD2 LEU E 45 124.347 -0.978 -8.603 1.00 0.00 C ATOM 0 H LEU E 45 122.361 -3.704 -12.098 1.00 0.00 H new ATOM 0 HA LEU E 45 121.241 -1.214 -11.330 1.00 0.00 H new ATOM 0 HB2 LEU E 45 122.569 -2.521 -9.803 1.00 0.00 H new ATOM 0 HB3 LEU E 45 123.939 -2.530 -10.897 1.00 0.00 H new ATOM 0 HG LEU E 45 124.295 -0.143 -10.617 1.00 0.00 H new ATOM 0 HD11 LEU E 45 122.887 1.290 -9.175 1.00 0.00 H new ATOM 0 HD12 LEU E 45 121.970 0.646 -10.558 1.00 0.00 H new ATOM 0 HD13 LEU E 45 121.752 -0.061 -8.939 1.00 0.00 H new ATOM 0 HD21 LEU E 45 124.721 -0.066 -8.137 1.00 0.00 H new ATOM 0 HD22 LEU E 45 123.655 -1.475 -7.923 1.00 0.00 H new ATOM 0 HD23 LEU E 45 125.182 -1.643 -8.821 1.00 0.00 H new ATOM 851 N ALA E 46 123.604 -1.124 -13.626 1.00 0.00 N ATOM 852 CA ALA E 46 124.200 -0.235 -14.624 1.00 0.00 C ATOM 853 C ALA E 46 123.093 0.561 -15.320 1.00 0.00 C ATOM 854 O ALA E 46 123.274 1.729 -15.655 1.00 0.00 O ATOM 855 CB ALA E 46 124.988 -1.050 -15.659 1.00 0.00 C ATOM 0 H ALA E 46 123.880 -2.103 -13.703 1.00 0.00 H new ATOM 0 HA ALA E 46 124.885 0.452 -14.128 1.00 0.00 H new ATOM 0 HB1 ALA E 46 125.426 -0.376 -16.396 1.00 0.00 H new ATOM 0 HB2 ALA E 46 125.781 -1.605 -15.158 1.00 0.00 H new ATOM 0 HB3 ALA E 46 124.317 -1.748 -16.160 1.00 0.00 H new ATOM 861 N GLU E 47 121.939 -0.092 -15.503 1.00 0.00 N ATOM 862 CA GLU E 47 120.774 0.537 -16.132 1.00 0.00 C ATOM 863 C GLU E 47 120.063 1.466 -15.164 1.00 0.00 C ATOM 864 O GLU E 47 119.603 2.544 -15.543 1.00 0.00 O ATOM 865 CB GLU E 47 119.763 -0.523 -16.572 1.00 0.00 C ATOM 866 CG GLU E 47 120.502 -1.727 -17.117 1.00 0.00 C ATOM 867 CD GLU E 47 119.543 -2.650 -17.870 1.00 0.00 C ATOM 868 OE1 GLU E 47 118.688 -3.235 -17.224 1.00 0.00 O ATOM 869 OE2 GLU E 47 119.671 -2.753 -19.081 1.00 0.00 O ATOM 0 H GLU E 47 121.788 -1.061 -15.222 1.00 0.00 H new ATOM 0 HA GLU E 47 121.142 1.099 -16.990 1.00 0.00 H new ATOM 0 HB2 GLU E 47 119.138 -0.817 -15.729 1.00 0.00 H new ATOM 0 HB3 GLU E 47 119.099 -0.114 -17.334 1.00 0.00 H new ATOM 0 HG2 GLU E 47 121.300 -1.400 -17.784 1.00 0.00 H new ATOM 0 HG3 GLU E 47 120.974 -2.272 -16.299 1.00 0.00 H new ATOM 876 N ALA E 48 119.955 1.028 -13.906 1.00 0.00 N ATOM 877 CA ALA E 48 119.272 1.820 -12.906 1.00 0.00 C ATOM 878 C ALA E 48 120.063 3.086 -12.639 1.00 0.00 C ATOM 879 O ALA E 48 119.502 4.145 -12.355 1.00 0.00 O ATOM 880 CB ALA E 48 119.062 1.027 -11.619 1.00 0.00 C ATOM 0 H ALA E 48 120.329 0.141 -13.569 1.00 0.00 H new ATOM 0 HA ALA E 48 118.285 2.088 -13.284 1.00 0.00 H new ATOM 0 HB1 ALA E 48 118.547 1.650 -10.888 1.00 0.00 H new ATOM 0 HB2 ALA E 48 118.461 0.143 -11.831 1.00 0.00 H new ATOM 0 HB3 ALA E 48 120.028 0.721 -11.218 1.00 0.00 H new ATOM 886 N LYS E 49 121.388 2.972 -12.774 1.00 0.00 N ATOM 887 CA LYS E 49 122.272 4.113 -12.589 1.00 0.00 C ATOM 888 C LYS E 49 121.992 5.129 -13.690 1.00 0.00 C ATOM 889 O LYS E 49 121.840 6.324 -13.436 1.00 0.00 O ATOM 890 CB LYS E 49 123.732 3.673 -12.637 1.00 0.00 C ATOM 891 CG LYS E 49 123.987 2.590 -11.591 1.00 0.00 C ATOM 892 CD LYS E 49 124.986 3.086 -10.559 1.00 0.00 C ATOM 893 CE LYS E 49 125.629 1.891 -9.860 1.00 0.00 C ATOM 894 NZ LYS E 49 126.857 2.339 -9.138 1.00 0.00 N ATOM 0 H LYS E 49 121.865 2.102 -13.010 1.00 0.00 H new ATOM 0 HA LYS E 49 122.088 4.563 -11.613 1.00 0.00 H new ATOM 0 HB2 LYS E 49 123.974 3.295 -13.630 1.00 0.00 H new ATOM 0 HB3 LYS E 49 124.384 4.527 -12.454 1.00 0.00 H new ATOM 0 HG2 LYS E 49 123.052 2.318 -11.102 1.00 0.00 H new ATOM 0 HG3 LYS E 49 124.367 1.690 -12.074 1.00 0.00 H new ATOM 0 HD2 LYS E 49 125.751 3.694 -11.041 1.00 0.00 H new ATOM 0 HD3 LYS E 49 124.486 3.722 -9.829 1.00 0.00 H new ATOM 0 HE2 LYS E 49 124.924 1.444 -9.159 1.00 0.00 H new ATOM 0 HE3 LYS E 49 125.883 1.123 -10.590 1.00 0.00 H new ATOM 0 HZ1 LYS E 49 127.132 1.618 -8.441 1.00 0.00 H new ATOM 0 HZ2 LYS E 49 127.631 2.475 -9.820 1.00 0.00 H new ATOM 0 HZ3 LYS E 49 126.665 3.237 -8.650 1.00 0.00 H new ATOM 908 N LYS E 50 121.855 4.600 -14.909 1.00 0.00 N ATOM 909 CA LYS E 50 121.502 5.424 -16.066 1.00 0.00 C ATOM 910 C LYS E 50 120.144 6.066 -15.785 1.00 0.00 C ATOM 911 O LYS E 50 119.906 7.220 -16.138 1.00 0.00 O ATOM 912 CB LYS E 50 121.425 4.570 -17.345 1.00 0.00 C ATOM 913 CG LYS E 50 122.826 4.117 -17.772 1.00 0.00 C ATOM 914 CD LYS E 50 122.717 3.244 -19.035 1.00 0.00 C ATOM 915 CE LYS E 50 124.010 2.448 -19.244 1.00 0.00 C ATOM 916 NZ LYS E 50 125.139 3.385 -19.522 1.00 0.00 N ATOM 0 H LYS E 50 121.983 3.610 -15.119 1.00 0.00 H new ATOM 0 HA LYS E 50 122.265 6.187 -16.223 1.00 0.00 H new ATOM 0 HB2 LYS E 50 120.792 3.700 -17.171 1.00 0.00 H new ATOM 0 HB3 LYS E 50 120.962 5.146 -18.147 1.00 0.00 H new ATOM 0 HG2 LYS E 50 123.457 4.984 -17.969 1.00 0.00 H new ATOM 0 HG3 LYS E 50 123.300 3.555 -16.967 1.00 0.00 H new ATOM 0 HD2 LYS E 50 121.873 2.561 -18.942 1.00 0.00 H new ATOM 0 HD3 LYS E 50 122.524 3.873 -19.904 1.00 0.00 H new ATOM 0 HE2 LYS E 50 124.229 1.852 -18.358 1.00 0.00 H new ATOM 0 HE3 LYS E 50 123.890 1.752 -20.074 1.00 0.00 H new ATOM 0 HZ1 LYS E 50 125.987 2.840 -19.780 1.00 0.00 H new ATOM 0 HZ2 LYS E 50 124.881 4.016 -20.307 1.00 0.00 H new ATOM 0 HZ3 LYS E 50 125.337 3.952 -18.673 1.00 0.00 H new ATOM 930 N LEU E 51 119.276 5.299 -15.105 1.00 0.00 N ATOM 931 CA LEU E 51 117.948 5.780 -14.718 1.00 0.00 C ATOM 932 C LEU E 51 118.101 6.941 -13.737 1.00 0.00 C ATOM 933 O LEU E 51 117.358 7.923 -13.805 1.00 0.00 O ATOM 934 CB LEU E 51 117.161 4.643 -14.043 1.00 0.00 C ATOM 935 CG LEU E 51 115.922 4.218 -14.847 1.00 0.00 C ATOM 936 CD1 LEU E 51 114.881 5.350 -14.880 1.00 0.00 C ATOM 937 CD2 LEU E 51 116.313 3.811 -16.281 1.00 0.00 C ATOM 0 H LEU E 51 119.475 4.342 -14.813 1.00 0.00 H new ATOM 0 HA LEU E 51 117.410 6.114 -15.605 1.00 0.00 H new ATOM 0 HB2 LEU E 51 117.816 3.782 -13.911 1.00 0.00 H new ATOM 0 HB3 LEU E 51 116.851 4.963 -13.048 1.00 0.00 H new ATOM 0 HG LEU E 51 115.480 3.354 -14.352 1.00 0.00 H new ATOM 0 HD11 LEU E 51 114.012 5.029 -15.454 1.00 0.00 H new ATOM 0 HD12 LEU E 51 114.574 5.592 -13.862 1.00 0.00 H new ATOM 0 HD13 LEU E 51 115.318 6.233 -15.347 1.00 0.00 H new ATOM 0 HD21 LEU E 51 115.420 3.514 -16.831 1.00 0.00 H new ATOM 0 HD22 LEU E 51 116.785 4.656 -16.783 1.00 0.00 H new ATOM 0 HD23 LEU E 51 117.011 2.975 -16.244 1.00 0.00 H new ATOM 949 N ASN E 52 119.086 6.817 -12.829 1.00 0.00 N ATOM 950 CA ASN E 52 119.359 7.861 -11.835 1.00 0.00 C ATOM 951 C ASN E 52 119.631 9.182 -12.558 1.00 0.00 C ATOM 952 O ASN E 52 119.168 10.246 -12.135 1.00 0.00 O ATOM 953 CB ASN E 52 120.569 7.471 -10.952 1.00 0.00 C ATOM 954 CG ASN E 52 120.650 8.396 -9.737 1.00 0.00 C ATOM 955 OD1 ASN E 52 119.697 8.494 -8.962 1.00 0.00 O ATOM 956 ND2 ASN E 52 121.736 9.084 -9.521 1.00 0.00 N ATOM 0 H ASN E 52 119.702 6.006 -12.766 1.00 0.00 H new ATOM 0 HA ASN E 52 118.491 7.974 -11.185 1.00 0.00 H new ATOM 0 HB2 ASN E 52 120.472 6.436 -10.625 1.00 0.00 H new ATOM 0 HB3 ASN E 52 121.489 7.538 -11.532 1.00 0.00 H new ATOM 0 HD21 ASN E 52 121.796 9.702 -8.712 1.00 0.00 H new ATOM 0 HD22 ASN E 52 122.526 9.004 -10.161 1.00 0.00 H new ATOM 963 N ASP E 53 120.360 9.080 -13.673 1.00 0.00 N ATOM 964 CA ASP E 53 120.677 10.239 -14.505 1.00 0.00 C ATOM 965 C ASP E 53 119.484 10.586 -15.408 1.00 0.00 C ATOM 966 O ASP E 53 119.298 11.741 -15.798 1.00 0.00 O ATOM 967 CB ASP E 53 121.911 9.942 -15.372 1.00 0.00 C ATOM 968 CG ASP E 53 123.130 9.657 -14.487 1.00 0.00 C ATOM 969 OD1 ASP E 53 123.563 10.567 -13.796 1.00 0.00 O ATOM 970 OD2 ASP E 53 123.610 8.534 -14.510 1.00 0.00 O ATOM 0 H ASP E 53 120.743 8.200 -14.020 1.00 0.00 H new ATOM 0 HA ASP E 53 120.890 11.087 -13.855 1.00 0.00 H new ATOM 0 HB2 ASP E 53 121.713 9.085 -16.016 1.00 0.00 H new ATOM 0 HB3 ASP E 53 122.118 10.790 -16.024 1.00 0.00 H new ATOM 975 N ALA E 54 118.699 9.557 -15.751 1.00 0.00 N ATOM 976 CA ALA E 54 117.529 9.716 -16.625 1.00 0.00 C ATOM 977 C ALA E 54 116.401 10.491 -15.940 1.00 0.00 C ATOM 978 O ALA E 54 115.633 11.190 -16.607 1.00 0.00 O ATOM 979 CB ALA E 54 117.000 8.336 -17.048 1.00 0.00 C ATOM 0 H ALA E 54 118.854 8.600 -15.435 1.00 0.00 H new ATOM 0 HA ALA E 54 117.853 10.284 -17.497 1.00 0.00 H new ATOM 0 HB1 ALA E 54 116.132 8.462 -17.696 1.00 0.00 H new ATOM 0 HB2 ALA E 54 117.780 7.797 -17.586 1.00 0.00 H new ATOM 0 HB3 ALA E 54 116.712 7.770 -16.162 1.00 0.00 H new ATOM 985 N GLN E 55 116.303 10.348 -14.614 1.00 0.00 N ATOM 986 CA GLN E 55 115.255 11.021 -13.833 1.00 0.00 C ATOM 987 C GLN E 55 115.867 12.033 -12.870 1.00 0.00 C ATOM 988 O GLN E 55 115.180 12.590 -12.007 1.00 0.00 O ATOM 989 CB GLN E 55 114.427 9.981 -13.068 1.00 0.00 C ATOM 990 CG GLN E 55 113.822 8.982 -14.070 1.00 0.00 C ATOM 991 CD GLN E 55 112.761 8.088 -13.412 1.00 0.00 C ATOM 992 OE1 GLN E 55 112.415 8.278 -12.167 1.00 0.00 O flip ATOM 993 NE2 GLN E 55 112.222 7.194 -14.064 1.00 0.00 N flip ATOM 0 H GLN E 55 116.936 9.773 -14.058 1.00 0.00 H new ATOM 0 HA GLN E 55 114.599 11.560 -14.517 1.00 0.00 H new ATOM 0 HB2 GLN E 55 115.055 9.457 -12.347 1.00 0.00 H new ATOM 0 HB3 GLN E 55 113.635 10.473 -12.503 1.00 0.00 H new ATOM 0 HG2 GLN E 55 113.374 9.527 -14.901 1.00 0.00 H new ATOM 0 HG3 GLN E 55 114.614 8.360 -14.487 1.00 0.00 H new ATOM 0 HE21 GLN E 55 112.488 7.041 -15.037 1.00 0.00 H new ATOM 0 HE22 GLN E 55 111.509 6.606 -13.632 1.00 0.00 H new ATOM 1002 N ALA E 56 117.168 12.248 -13.035 1.00 0.00 N ATOM 1003 CA ALA E 56 117.931 13.161 -12.216 1.00 0.00 C ATOM 1004 C ALA E 56 117.347 14.575 -12.240 1.00 0.00 C ATOM 1005 O ALA E 56 116.563 14.929 -13.127 1.00 0.00 O ATOM 1006 CB ALA E 56 119.379 13.173 -12.711 1.00 0.00 C ATOM 0 H ALA E 56 117.723 11.783 -13.754 1.00 0.00 H new ATOM 0 HA ALA E 56 117.890 12.819 -11.182 1.00 0.00 H new ATOM 0 HB1 ALA E 56 119.966 13.859 -12.101 1.00 0.00 H new ATOM 0 HB2 ALA E 56 119.798 12.170 -12.635 1.00 0.00 H new ATOM 0 HB3 ALA E 56 119.405 13.499 -13.751 1.00 0.00 H new TER 1012 ALA E 56 ATOM 1013 N GLY F 14 118.117 10.609 10.514 1.00 0.00 N ATOM 1014 CA GLY F 14 119.492 10.105 10.548 1.00 0.00 C ATOM 1015 C GLY F 14 119.554 8.611 10.789 1.00 0.00 C ATOM 1016 O GLY F 14 120.643 8.029 10.787 1.00 0.00 O ATOM 0 HA2 GLY F 14 119.985 10.339 9.604 1.00 0.00 H new ATOM 0 HA3 GLY F 14 120.046 10.620 11.333 1.00 0.00 H new ATOM 1020 N GLU F 15 118.396 7.989 10.992 1.00 0.00 N ATOM 1021 CA GLU F 15 118.356 6.559 11.228 1.00 0.00 C ATOM 1022 C GLU F 15 118.222 5.821 9.909 1.00 0.00 C ATOM 1023 O GLU F 15 117.467 6.237 9.031 1.00 0.00 O ATOM 1024 CB GLU F 15 117.184 6.202 12.129 1.00 0.00 C ATOM 1025 CG GLU F 15 117.457 4.845 12.762 1.00 0.00 C ATOM 1026 CD GLU F 15 116.298 4.428 13.673 1.00 0.00 C ATOM 1027 OE1 GLU F 15 115.213 4.204 13.159 1.00 0.00 O ATOM 1028 OE2 GLU F 15 116.512 4.341 14.873 1.00 0.00 O ATOM 0 H GLU F 15 117.486 8.450 10.997 1.00 0.00 H new ATOM 0 HA GLU F 15 119.283 6.263 11.718 1.00 0.00 H new ATOM 0 HB2 GLU F 15 117.055 6.961 12.901 1.00 0.00 H new ATOM 0 HB3 GLU F 15 116.259 6.172 11.553 1.00 0.00 H new ATOM 0 HG2 GLU F 15 117.600 4.097 11.982 1.00 0.00 H new ATOM 0 HG3 GLU F 15 118.382 4.886 13.338 1.00 0.00 H new ATOM 1035 N ILE F 16 118.968 4.731 9.780 1.00 0.00 N ATOM 1036 CA ILE F 16 118.956 3.928 8.563 1.00 0.00 C ATOM 1037 C ILE F 16 118.378 2.539 8.825 1.00 0.00 C ATOM 1038 O ILE F 16 118.532 1.979 9.914 1.00 0.00 O ATOM 1039 CB ILE F 16 120.382 3.823 8.025 1.00 0.00 C ATOM 1040 CG1 ILE F 16 120.885 5.217 7.601 1.00 0.00 C ATOM 1041 CG2 ILE F 16 120.420 2.868 6.819 1.00 0.00 C ATOM 1042 CD1 ILE F 16 122.376 5.159 7.245 1.00 0.00 C ATOM 0 H ILE F 16 119.592 4.381 10.507 1.00 0.00 H new ATOM 0 HA ILE F 16 118.319 4.412 7.823 1.00 0.00 H new ATOM 0 HB ILE F 16 121.029 3.431 8.810 1.00 0.00 H new ATOM 0 HG12 ILE F 16 120.313 5.572 6.744 1.00 0.00 H new ATOM 0 HG13 ILE F 16 120.725 5.930 8.409 1.00 0.00 H new ATOM 0 HG21 ILE F 16 121.440 2.799 6.442 1.00 0.00 H new ATOM 0 HG22 ILE F 16 120.079 1.879 7.127 1.00 0.00 H new ATOM 0 HG23 ILE F 16 119.767 3.248 6.033 1.00 0.00 H new ATOM 0 HD11 ILE F 16 122.718 6.150 6.947 1.00 0.00 H new ATOM 0 HD12 ILE F 16 122.945 4.824 8.113 1.00 0.00 H new ATOM 0 HD13 ILE F 16 122.527 4.461 6.422 1.00 0.00 H new ATOM 1054 N VAL F 17 117.698 2.013 7.805 1.00 0.00 N ATOM 1055 CA VAL F 17 117.058 0.702 7.873 1.00 0.00 C ATOM 1056 C VAL F 17 117.423 -0.139 6.647 1.00 0.00 C ATOM 1057 O VAL F 17 117.149 0.264 5.517 1.00 0.00 O ATOM 1058 CB VAL F 17 115.540 0.935 7.929 1.00 0.00 C ATOM 1059 CG1 VAL F 17 114.761 -0.348 7.584 1.00 0.00 C ATOM 1060 CG2 VAL F 17 115.155 1.412 9.337 1.00 0.00 C ATOM 0 H VAL F 17 117.576 2.485 6.909 1.00 0.00 H new ATOM 0 HA VAL F 17 117.396 0.158 8.755 1.00 0.00 H new ATOM 0 HB VAL F 17 115.280 1.693 7.191 1.00 0.00 H new ATOM 0 HG11 VAL F 17 113.691 -0.148 7.633 1.00 0.00 H new ATOM 0 HG12 VAL F 17 115.024 -0.674 6.577 1.00 0.00 H new ATOM 0 HG13 VAL F 17 115.017 -1.132 8.297 1.00 0.00 H new ATOM 0 HG21 VAL F 17 114.079 1.579 9.383 1.00 0.00 H new ATOM 0 HG22 VAL F 17 115.436 0.654 10.068 1.00 0.00 H new ATOM 0 HG23 VAL F 17 115.677 2.343 9.561 1.00 0.00 H new ATOM 1070 N TYR F 18 118.018 -1.314 6.889 1.00 0.00 N ATOM 1071 CA TYR F 18 118.408 -2.228 5.810 1.00 0.00 C ATOM 1072 C TYR F 18 117.379 -3.341 5.654 1.00 0.00 C ATOM 1073 O TYR F 18 116.894 -3.892 6.647 1.00 0.00 O ATOM 1074 CB TYR F 18 119.807 -2.823 6.100 1.00 0.00 C ATOM 1075 CG TYR F 18 120.882 -1.955 5.461 1.00 0.00 C ATOM 1076 CD1 TYR F 18 120.911 -0.576 5.710 1.00 0.00 C ATOM 1077 CD2 TYR F 18 121.836 -2.523 4.601 1.00 0.00 C ATOM 1078 CE1 TYR F 18 121.878 0.226 5.105 1.00 0.00 C ATOM 1079 CE2 TYR F 18 122.804 -1.715 3.997 1.00 0.00 C ATOM 1080 CZ TYR F 18 122.824 -0.340 4.247 1.00 0.00 C ATOM 1081 OH TYR F 18 123.778 0.457 3.650 1.00 0.00 O ATOM 0 H TYR F 18 118.240 -1.654 7.825 1.00 0.00 H new ATOM 0 HA TYR F 18 118.450 -1.668 4.876 1.00 0.00 H new ATOM 0 HB2 TYR F 18 119.969 -2.885 7.176 1.00 0.00 H new ATOM 0 HB3 TYR F 18 119.868 -3.839 5.709 1.00 0.00 H new ATOM 0 HD1 TYR F 18 120.182 -0.133 6.373 1.00 0.00 H new ATOM 0 HD2 TYR F 18 121.822 -3.585 4.406 1.00 0.00 H new ATOM 0 HE1 TYR F 18 121.896 1.288 5.300 1.00 0.00 H new ATOM 0 HE2 TYR F 18 123.537 -2.154 3.336 1.00 0.00 H new ATOM 0 HH TYR F 18 123.423 0.820 2.812 1.00 0.00 H new ATOM 1091 N LEU F 19 117.051 -3.656 4.392 1.00 0.00 N ATOM 1092 CA LEU F 19 116.063 -4.704 4.081 1.00 0.00 C ATOM 1093 C LEU F 19 116.726 -5.877 3.320 1.00 0.00 C ATOM 1094 O LEU F 19 116.496 -6.053 2.118 1.00 0.00 O ATOM 1095 CB LEU F 19 114.911 -4.125 3.213 1.00 0.00 C ATOM 1096 CG LEU F 19 114.059 -3.053 3.947 1.00 0.00 C ATOM 1097 CD1 LEU F 19 113.802 -3.421 5.419 1.00 0.00 C ATOM 1098 CD2 LEU F 19 114.740 -1.679 3.863 1.00 0.00 C ATOM 0 H LEU F 19 117.453 -3.203 3.572 1.00 0.00 H new ATOM 0 HA LEU F 19 115.660 -5.071 5.025 1.00 0.00 H new ATOM 0 HB2 LEU F 19 115.334 -3.685 2.310 1.00 0.00 H new ATOM 0 HB3 LEU F 19 114.260 -4.940 2.897 1.00 0.00 H new ATOM 0 HG LEU F 19 113.093 -3.013 3.444 1.00 0.00 H new ATOM 0 HD11 LEU F 19 113.203 -2.642 5.890 1.00 0.00 H new ATOM 0 HD12 LEU F 19 113.267 -4.370 5.469 1.00 0.00 H new ATOM 0 HD13 LEU F 19 114.754 -3.513 5.943 1.00 0.00 H new ATOM 0 HD21 LEU F 19 114.131 -0.939 4.382 1.00 0.00 H new ATOM 0 HD22 LEU F 19 115.724 -1.731 4.330 1.00 0.00 H new ATOM 0 HD23 LEU F 19 114.849 -1.390 2.818 1.00 0.00 H new ATOM 1110 N PRO F 20 117.535 -6.687 3.990 1.00 0.00 N ATOM 1111 CA PRO F 20 118.217 -7.858 3.352 1.00 0.00 C ATOM 1112 C PRO F 20 117.307 -9.088 3.217 1.00 0.00 C ATOM 1113 O PRO F 20 117.210 -9.677 2.138 1.00 0.00 O ATOM 1114 CB PRO F 20 119.381 -8.144 4.304 1.00 0.00 C ATOM 1115 CG PRO F 20 118.893 -7.723 5.650 1.00 0.00 C ATOM 1116 CD PRO F 20 117.901 -6.576 5.420 1.00 0.00 C ATOM 0 HA PRO F 20 118.523 -7.639 2.329 1.00 0.00 H new ATOM 0 HB2 PRO F 20 119.648 -9.201 4.294 1.00 0.00 H new ATOM 0 HB3 PRO F 20 120.272 -7.587 4.016 1.00 0.00 H new ATOM 0 HG2 PRO F 20 118.411 -8.554 6.164 1.00 0.00 H new ATOM 0 HG3 PRO F 20 119.722 -7.397 6.278 1.00 0.00 H new ATOM 0 HD2 PRO F 20 117.026 -6.673 6.063 1.00 0.00 H new ATOM 0 HD3 PRO F 20 118.353 -5.609 5.641 1.00 0.00 H new ATOM 1124 N ASN F 21 116.668 -9.481 4.328 1.00 0.00 N ATOM 1125 CA ASN F 21 115.789 -10.664 4.345 1.00 0.00 C ATOM 1126 C ASN F 21 114.354 -10.341 3.900 1.00 0.00 C ATOM 1127 O ASN F 21 113.486 -11.219 3.919 1.00 0.00 O ATOM 1128 CB ASN F 21 115.768 -11.267 5.760 1.00 0.00 C ATOM 1129 CG ASN F 21 117.163 -11.757 6.169 1.00 0.00 C ATOM 1130 OD1 ASN F 21 117.979 -12.119 5.320 1.00 0.00 O ATOM 1131 ND2 ASN F 21 117.482 -11.794 7.433 1.00 0.00 N ATOM 0 H ASN F 21 116.741 -9.000 5.225 1.00 0.00 H new ATOM 0 HA ASN F 21 116.194 -11.381 3.631 1.00 0.00 H new ATOM 0 HB2 ASN F 21 115.418 -10.520 6.472 1.00 0.00 H new ATOM 0 HB3 ASN F 21 115.062 -12.097 5.795 1.00 0.00 H new ATOM 0 HD21 ASN F 21 118.405 -12.122 7.717 1.00 0.00 H new ATOM 0 HD22 ASN F 21 116.808 -11.495 8.138 1.00 0.00 H new ATOM 1138 N LEU F 22 114.113 -9.094 3.488 1.00 0.00 N ATOM 1139 CA LEU F 22 112.783 -8.675 3.029 1.00 0.00 C ATOM 1140 C LEU F 22 112.536 -9.197 1.605 1.00 0.00 C ATOM 1141 O LEU F 22 113.493 -9.384 0.848 1.00 0.00 O ATOM 1142 CB LEU F 22 112.700 -7.141 3.048 1.00 0.00 C ATOM 1143 CG LEU F 22 111.274 -6.670 3.406 1.00 0.00 C ATOM 1144 CD1 LEU F 22 111.248 -6.129 4.847 1.00 0.00 C ATOM 1145 CD2 LEU F 22 110.841 -5.570 2.422 1.00 0.00 C ATOM 0 H LEU F 22 114.818 -8.357 3.462 1.00 0.00 H new ATOM 0 HA LEU F 22 112.022 -9.086 3.692 1.00 0.00 H new ATOM 0 HB2 LEU F 22 113.411 -6.743 3.772 1.00 0.00 H new ATOM 0 HB3 LEU F 22 112.984 -6.745 2.073 1.00 0.00 H new ATOM 0 HG LEU F 22 110.584 -7.511 3.335 1.00 0.00 H new ATOM 0 HD11 LEU F 22 110.239 -5.798 5.093 1.00 0.00 H new ATOM 0 HD12 LEU F 22 111.550 -6.917 5.537 1.00 0.00 H new ATOM 0 HD13 LEU F 22 111.936 -5.288 4.932 1.00 0.00 H new ATOM 0 HD21 LEU F 22 109.834 -5.235 2.671 1.00 0.00 H new ATOM 0 HD22 LEU F 22 111.531 -4.729 2.490 1.00 0.00 H new ATOM 0 HD23 LEU F 22 110.850 -5.966 1.407 1.00 0.00 H new ATOM 1157 N ASN F 23 111.259 -9.424 1.234 1.00 0.00 N ATOM 1158 CA ASN F 23 110.945 -9.917 -0.116 1.00 0.00 C ATOM 1159 C ASN F 23 110.614 -8.736 -1.038 1.00 0.00 C ATOM 1160 O ASN F 23 110.123 -7.709 -0.566 1.00 0.00 O ATOM 1161 CB ASN F 23 109.783 -10.921 -0.076 1.00 0.00 C ATOM 1162 CG ASN F 23 108.552 -10.300 0.571 1.00 0.00 C ATOM 1163 OD1 ASN F 23 108.532 -10.076 1.779 1.00 0.00 O ATOM 1164 ND2 ASN F 23 107.515 -10.017 -0.164 1.00 0.00 N ATOM 0 H ASN F 23 110.449 -9.277 1.836 1.00 0.00 H new ATOM 0 HA ASN F 23 111.818 -10.436 -0.511 1.00 0.00 H new ATOM 0 HB2 ASN F 23 109.542 -11.246 -1.088 1.00 0.00 H new ATOM 0 HB3 ASN F 23 110.083 -11.809 0.481 1.00 0.00 H new ATOM 0 HD21 ASN F 23 106.684 -9.608 0.263 1.00 0.00 H new ATOM 0 HD22 ASN F 23 107.534 -10.204 -1.167 1.00 0.00 H new ATOM 1171 N PRO F 24 110.898 -8.842 -2.328 1.00 0.00 N ATOM 1172 CA PRO F 24 110.648 -7.729 -3.300 1.00 0.00 C ATOM 1173 C PRO F 24 109.215 -7.208 -3.277 1.00 0.00 C ATOM 1174 O PRO F 24 109.001 -5.997 -3.373 1.00 0.00 O ATOM 1175 CB PRO F 24 110.981 -8.335 -4.670 1.00 0.00 C ATOM 1176 CG PRO F 24 111.866 -9.500 -4.390 1.00 0.00 C ATOM 1177 CD PRO F 24 111.485 -10.020 -3.004 1.00 0.00 C ATOM 0 HA PRO F 24 111.255 -6.859 -3.050 1.00 0.00 H new ATOM 0 HB2 PRO F 24 110.076 -8.647 -5.191 1.00 0.00 H new ATOM 0 HB3 PRO F 24 111.482 -7.607 -5.309 1.00 0.00 H new ATOM 0 HG2 PRO F 24 111.734 -10.276 -5.144 1.00 0.00 H new ATOM 0 HG3 PRO F 24 112.915 -9.204 -4.417 1.00 0.00 H new ATOM 0 HD2 PRO F 24 110.770 -10.840 -3.068 1.00 0.00 H new ATOM 0 HD3 PRO F 24 112.355 -10.396 -2.466 1.00 0.00 H new ATOM 1185 N ASP F 25 108.234 -8.112 -3.144 1.00 0.00 N ATOM 1186 CA ASP F 25 106.822 -7.699 -3.101 1.00 0.00 C ATOM 1187 C ASP F 25 106.588 -6.793 -1.890 1.00 0.00 C ATOM 1188 O ASP F 25 105.874 -5.790 -1.974 1.00 0.00 O ATOM 1189 CB ASP F 25 105.902 -8.927 -3.023 1.00 0.00 C ATOM 1190 CG ASP F 25 106.092 -9.814 -4.258 1.00 0.00 C ATOM 1191 OD1 ASP F 25 105.759 -9.366 -5.344 1.00 0.00 O ATOM 1192 OD2 ASP F 25 106.565 -10.929 -4.099 1.00 0.00 O ATOM 0 H ASP F 25 108.387 -9.117 -3.065 1.00 0.00 H new ATOM 0 HA ASP F 25 106.589 -7.151 -4.014 1.00 0.00 H new ATOM 0 HB2 ASP F 25 106.121 -9.497 -2.120 1.00 0.00 H new ATOM 0 HB3 ASP F 25 104.862 -8.607 -2.953 1.00 0.00 H new ATOM 1197 N GLN F 26 107.235 -7.151 -0.776 1.00 0.00 N ATOM 1198 CA GLN F 26 107.147 -6.377 0.449 1.00 0.00 C ATOM 1199 C GLN F 26 107.953 -5.078 0.308 1.00 0.00 C ATOM 1200 O GLN F 26 107.540 -4.022 0.796 1.00 0.00 O ATOM 1201 CB GLN F 26 107.665 -7.219 1.617 1.00 0.00 C ATOM 1202 CG GLN F 26 107.319 -6.550 2.947 1.00 0.00 C ATOM 1203 CD GLN F 26 105.813 -6.621 3.197 1.00 0.00 C ATOM 1204 OE1 GLN F 26 105.253 -7.710 3.314 1.00 0.00 O ATOM 1205 NE2 GLN F 26 105.121 -5.519 3.287 1.00 0.00 N ATOM 0 H GLN F 26 107.827 -7.979 -0.706 1.00 0.00 H new ATOM 0 HA GLN F 26 106.108 -6.110 0.643 1.00 0.00 H new ATOM 0 HB2 GLN F 26 107.226 -8.216 1.578 1.00 0.00 H new ATOM 0 HB3 GLN F 26 108.745 -7.343 1.534 1.00 0.00 H new ATOM 0 HG2 GLN F 26 107.854 -7.042 3.760 1.00 0.00 H new ATOM 0 HG3 GLN F 26 107.644 -5.510 2.935 1.00 0.00 H new ATOM 0 HE21 GLN F 26 105.585 -4.616 3.190 1.00 0.00 H new ATOM 0 HE22 GLN F 26 104.116 -5.560 3.454 1.00 0.00 H new ATOM 1214 N LEU F 27 109.104 -5.177 -0.374 1.00 0.00 N ATOM 1215 CA LEU F 27 109.983 -4.023 -0.597 1.00 0.00 C ATOM 1216 C LEU F 27 109.294 -2.987 -1.496 1.00 0.00 C ATOM 1217 O LEU F 27 109.390 -1.783 -1.252 1.00 0.00 O ATOM 1218 CB LEU F 27 111.299 -4.491 -1.256 1.00 0.00 C ATOM 1219 CG LEU F 27 112.513 -3.893 -0.519 1.00 0.00 C ATOM 1220 CD1 LEU F 27 113.807 -4.527 -1.049 1.00 0.00 C ATOM 1221 CD2 LEU F 27 112.560 -2.373 -0.729 1.00 0.00 C ATOM 0 H LEU F 27 109.447 -6.047 -0.781 1.00 0.00 H new ATOM 0 HA LEU F 27 110.202 -3.560 0.365 1.00 0.00 H new ATOM 0 HB2 LEU F 27 111.355 -5.579 -1.238 1.00 0.00 H new ATOM 0 HB3 LEU F 27 111.316 -4.188 -2.303 1.00 0.00 H new ATOM 0 HG LEU F 27 112.418 -4.103 0.546 1.00 0.00 H new ATOM 0 HD11 LEU F 27 114.662 -4.101 -0.525 1.00 0.00 H new ATOM 0 HD12 LEU F 27 113.779 -5.604 -0.883 1.00 0.00 H new ATOM 0 HD13 LEU F 27 113.899 -4.327 -2.117 1.00 0.00 H new ATOM 0 HD21 LEU F 27 113.421 -1.960 -0.204 1.00 0.00 H new ATOM 0 HD22 LEU F 27 112.645 -2.155 -1.794 1.00 0.00 H new ATOM 0 HD23 LEU F 27 111.647 -1.923 -0.338 1.00 0.00 H new ATOM 1233 N CYS F 28 108.597 -3.464 -2.532 1.00 0.00 N ATOM 1234 CA CYS F 28 107.890 -2.567 -3.452 1.00 0.00 C ATOM 1235 C CYS F 28 106.818 -1.792 -2.694 1.00 0.00 C ATOM 1236 O CYS F 28 106.694 -0.572 -2.845 1.00 0.00 O ATOM 1237 CB CYS F 28 107.247 -3.371 -4.589 1.00 0.00 C ATOM 1238 SG CYS F 28 106.456 -2.239 -5.765 1.00 0.00 S ATOM 0 H CYS F 28 108.507 -4.456 -2.754 1.00 0.00 H new ATOM 0 HA CYS F 28 108.606 -1.865 -3.880 1.00 0.00 H new ATOM 0 HB2 CYS F 28 108.003 -3.969 -5.097 1.00 0.00 H new ATOM 0 HB3 CYS F 28 106.510 -4.065 -4.185 1.00 0.00 H new ATOM 1243 N ALA F 29 106.065 -2.515 -1.860 1.00 0.00 N ATOM 1244 CA ALA F 29 105.017 -1.901 -1.048 1.00 0.00 C ATOM 1245 C ALA F 29 105.640 -0.898 -0.077 1.00 0.00 C ATOM 1246 O ALA F 29 105.052 0.150 0.206 1.00 0.00 O ATOM 1247 CB ALA F 29 104.257 -2.979 -0.268 1.00 0.00 C ATOM 0 H ALA F 29 106.163 -3.522 -1.731 1.00 0.00 H new ATOM 0 HA ALA F 29 104.318 -1.381 -1.702 1.00 0.00 H new ATOM 0 HB1 ALA F 29 103.478 -2.511 0.334 1.00 0.00 H new ATOM 0 HB2 ALA F 29 103.803 -3.682 -0.967 1.00 0.00 H new ATOM 0 HB3 ALA F 29 104.949 -3.512 0.384 1.00 0.00 H new ATOM 1253 N PHE F 30 106.842 -1.228 0.417 1.00 0.00 N ATOM 1254 CA PHE F 30 107.555 -0.351 1.345 1.00 0.00 C ATOM 1255 C PHE F 30 107.878 0.977 0.664 1.00 0.00 C ATOM 1256 O PHE F 30 107.528 2.039 1.178 1.00 0.00 O ATOM 1257 CB PHE F 30 108.855 -1.043 1.820 1.00 0.00 C ATOM 1258 CG PHE F 30 109.747 -0.067 2.570 1.00 0.00 C ATOM 1259 CD1 PHE F 30 109.255 0.600 3.701 1.00 0.00 C ATOM 1260 CD2 PHE F 30 111.070 0.172 2.136 1.00 0.00 C ATOM 1261 CE1 PHE F 30 110.070 1.498 4.395 1.00 0.00 C ATOM 1262 CE2 PHE F 30 111.878 1.072 2.836 1.00 0.00 C ATOM 1263 CZ PHE F 30 111.376 1.734 3.965 1.00 0.00 C ATOM 0 H PHE F 30 107.335 -2.091 0.189 1.00 0.00 H new ATOM 0 HA PHE F 30 106.924 -0.153 2.211 1.00 0.00 H new ATOM 0 HB2 PHE F 30 108.608 -1.886 2.466 1.00 0.00 H new ATOM 0 HB3 PHE F 30 109.392 -1.446 0.961 1.00 0.00 H new ATOM 0 HD1 PHE F 30 108.244 0.419 4.036 1.00 0.00 H new ATOM 0 HD2 PHE F 30 111.456 -0.339 1.266 1.00 0.00 H new ATOM 0 HE1 PHE F 30 109.688 2.010 5.266 1.00 0.00 H new ATOM 0 HE2 PHE F 30 112.890 1.258 2.507 1.00 0.00 H new ATOM 0 HZ PHE F 30 112.003 2.429 4.504 1.00 0.00 H new ATOM 1273 N ILE F 31 108.534 0.901 -0.498 1.00 0.00 N ATOM 1274 CA ILE F 31 108.905 2.102 -1.254 1.00 0.00 C ATOM 1275 C ILE F 31 107.669 2.920 -1.612 1.00 0.00 C ATOM 1276 O ILE F 31 107.686 4.152 -1.514 1.00 0.00 O ATOM 1277 CB ILE F 31 109.691 1.708 -2.516 1.00 0.00 C ATOM 1278 CG1 ILE F 31 110.994 1.015 -2.081 1.00 0.00 C ATOM 1279 CG2 ILE F 31 110.028 2.958 -3.351 1.00 0.00 C ATOM 1280 CD1 ILE F 31 111.766 0.496 -3.295 1.00 0.00 C ATOM 0 H ILE F 31 108.818 0.024 -0.935 1.00 0.00 H new ATOM 0 HA ILE F 31 109.545 2.725 -0.629 1.00 0.00 H new ATOM 0 HB ILE F 31 109.088 1.036 -3.127 1.00 0.00 H new ATOM 0 HG12 ILE F 31 111.615 1.716 -1.522 1.00 0.00 H new ATOM 0 HG13 ILE F 31 110.764 0.187 -1.410 1.00 0.00 H new ATOM 0 HG21 ILE F 31 110.584 2.662 -4.241 1.00 0.00 H new ATOM 0 HG22 ILE F 31 109.105 3.456 -3.649 1.00 0.00 H new ATOM 0 HG23 ILE F 31 110.633 3.641 -2.755 1.00 0.00 H new ATOM 0 HD11 ILE F 31 112.683 0.010 -2.962 1.00 0.00 H new ATOM 0 HD12 ILE F 31 111.151 -0.222 -3.837 1.00 0.00 H new ATOM 0 HD13 ILE F 31 112.015 1.330 -3.952 1.00 0.00 H new ATOM 1292 N HIS F 32 106.597 2.229 -2.006 1.00 0.00 N ATOM 1293 CA HIS F 32 105.346 2.903 -2.353 1.00 0.00 C ATOM 1294 C HIS F 32 104.846 3.700 -1.148 1.00 0.00 C ATOM 1295 O HIS F 32 104.354 4.822 -1.291 1.00 0.00 O ATOM 1296 CB HIS F 32 104.292 1.868 -2.775 1.00 0.00 C ATOM 1297 CG HIS F 32 103.063 2.571 -3.289 1.00 0.00 C ATOM 1298 ND1 HIS F 32 103.061 3.278 -4.482 1.00 0.00 N ATOM 1299 CD2 HIS F 32 101.788 2.680 -2.788 1.00 0.00 C ATOM 1300 CE1 HIS F 32 101.824 3.775 -4.657 1.00 0.00 C ATOM 1301 NE2 HIS F 32 101.008 3.440 -3.654 1.00 0.00 N ATOM 0 H HIS F 32 106.570 1.213 -2.092 1.00 0.00 H new ATOM 0 HA HIS F 32 105.521 3.584 -3.186 1.00 0.00 H new ATOM 0 HB2 HIS F 32 104.699 1.216 -3.548 1.00 0.00 H new ATOM 0 HB3 HIS F 32 104.032 1.234 -1.927 1.00 0.00 H new ATOM 0 HD2 HIS F 32 101.444 2.242 -1.863 1.00 0.00 H new ATOM 0 HE1 HIS F 32 101.526 4.373 -5.506 1.00 0.00 H new ATOM 0 HE2 HIS F 32 100.025 3.688 -3.546 1.00 0.00 H new ATOM 1310 N SER F 33 104.994 3.102 0.041 1.00 0.00 N ATOM 1311 CA SER F 33 104.576 3.741 1.285 1.00 0.00 C ATOM 1312 C SER F 33 105.426 4.984 1.588 1.00 0.00 C ATOM 1313 O SER F 33 104.888 6.013 2.008 1.00 0.00 O ATOM 1314 CB SER F 33 104.673 2.743 2.444 1.00 0.00 C ATOM 1315 OG SER F 33 103.846 3.184 3.511 1.00 0.00 O ATOM 0 H SER F 33 105.401 2.175 0.163 1.00 0.00 H new ATOM 0 HA SER F 33 103.541 4.062 1.169 1.00 0.00 H new ATOM 0 HB2 SER F 33 104.362 1.752 2.113 1.00 0.00 H new ATOM 0 HB3 SER F 33 105.706 2.657 2.780 1.00 0.00 H new ATOM 0 HG SER F 33 103.390 2.414 3.911 1.00 0.00 H new ATOM 1321 N LEU F 34 106.757 4.889 1.372 1.00 0.00 N ATOM 1322 CA LEU F 34 107.661 6.026 1.629 1.00 0.00 C ATOM 1323 C LEU F 34 107.238 7.237 0.787 1.00 0.00 C ATOM 1324 O LEU F 34 107.240 8.373 1.268 1.00 0.00 O ATOM 1325 CB LEU F 34 109.128 5.675 1.274 1.00 0.00 C ATOM 1326 CG LEU F 34 109.618 4.427 2.035 1.00 0.00 C ATOM 1327 CD1 LEU F 34 111.034 4.038 1.549 1.00 0.00 C ATOM 1328 CD2 LEU F 34 109.644 4.713 3.546 1.00 0.00 C ATOM 0 H LEU F 34 107.221 4.049 1.026 1.00 0.00 H new ATOM 0 HA LEU F 34 107.596 6.258 2.692 1.00 0.00 H new ATOM 0 HB2 LEU F 34 109.211 5.502 0.201 1.00 0.00 H new ATOM 0 HB3 LEU F 34 109.772 6.522 1.511 1.00 0.00 H new ATOM 0 HG LEU F 34 108.935 3.600 1.841 1.00 0.00 H new ATOM 0 HD11 LEU F 34 111.375 3.155 2.090 1.00 0.00 H new ATOM 0 HD12 LEU F 34 111.005 3.820 0.481 1.00 0.00 H new ATOM 0 HD13 LEU F 34 111.721 4.864 1.732 1.00 0.00 H new ATOM 0 HD21 LEU F 34 109.991 3.827 4.078 1.00 0.00 H new ATOM 0 HD22 LEU F 34 110.319 5.545 3.747 1.00 0.00 H new ATOM 0 HD23 LEU F 34 108.640 4.970 3.885 1.00 0.00 H new ATOM 1340 N HIS F 35 106.881 6.970 -0.473 1.00 0.00 N ATOM 1341 CA HIS F 35 106.456 8.020 -1.404 1.00 0.00 C ATOM 1342 C HIS F 35 105.043 8.518 -1.078 1.00 0.00 C ATOM 1343 O HIS F 35 104.766 9.716 -1.190 1.00 0.00 O ATOM 1344 CB HIS F 35 106.502 7.483 -2.843 1.00 0.00 C ATOM 1345 CG HIS F 35 106.252 8.603 -3.822 1.00 0.00 C ATOM 1346 ND1 HIS F 35 107.150 9.645 -3.995 1.00 0.00 N ATOM 1347 CD2 HIS F 35 105.214 8.855 -4.684 1.00 0.00 C ATOM 1348 CE1 HIS F 35 106.640 10.469 -4.928 1.00 0.00 C ATOM 1349 NE2 HIS F 35 105.461 10.035 -5.382 1.00 0.00 N ATOM 0 H HIS F 35 106.878 6.032 -0.873 1.00 0.00 H new ATOM 0 HA HIS F 35 107.140 8.862 -1.303 1.00 0.00 H new ATOM 0 HB2 HIS F 35 107.473 7.028 -3.039 1.00 0.00 H new ATOM 0 HB3 HIS F 35 105.752 6.702 -2.972 1.00 0.00 H new ATOM 0 HD2 HIS F 35 104.339 8.233 -4.803 1.00 0.00 H new ATOM 0 HE1 HIS F 35 107.125 11.372 -5.269 1.00 0.00 H new ATOM 0 HE2 HIS F 35 104.869 10.473 -6.088 1.00 0.00 H new ATOM 1358 N ASP F 36 104.154 7.591 -0.689 1.00 0.00 N ATOM 1359 CA ASP F 36 102.761 7.934 -0.359 1.00 0.00 C ATOM 1360 C ASP F 36 102.699 9.011 0.727 1.00 0.00 C ATOM 1361 O ASP F 36 101.857 9.911 0.672 1.00 0.00 O ATOM 1362 CB ASP F 36 102.012 6.680 0.114 1.00 0.00 C ATOM 1363 CG ASP F 36 100.525 6.987 0.303 1.00 0.00 C ATOM 1364 OD1 ASP F 36 99.799 6.940 -0.678 1.00 0.00 O ATOM 1365 OD2 ASP F 36 100.134 7.269 1.426 1.00 0.00 O ATOM 0 H ASP F 36 104.374 6.599 -0.595 1.00 0.00 H new ATOM 0 HA ASP F 36 102.287 8.327 -1.259 1.00 0.00 H new ATOM 0 HB2 ASP F 36 102.135 5.879 -0.615 1.00 0.00 H new ATOM 0 HB3 ASP F 36 102.439 6.326 1.052 1.00 0.00 H new ATOM 1370 N ASP F 37 103.601 8.906 1.704 1.00 0.00 N ATOM 1371 CA ASP F 37 103.668 9.860 2.804 1.00 0.00 C ATOM 1372 C ASP F 37 105.109 9.924 3.340 1.00 0.00 C ATOM 1373 O ASP F 37 105.581 8.958 3.945 1.00 0.00 O ATOM 1374 CB ASP F 37 102.699 9.426 3.915 1.00 0.00 C ATOM 1375 CG ASP F 37 102.552 10.517 4.985 1.00 0.00 C ATOM 1376 OD1 ASP F 37 103.560 10.980 5.497 1.00 0.00 O ATOM 1377 OD2 ASP F 37 101.424 10.855 5.294 1.00 0.00 O ATOM 0 H ASP F 37 104.298 8.163 1.753 1.00 0.00 H new ATOM 0 HA ASP F 37 103.380 10.851 2.453 1.00 0.00 H new ATOM 0 HB2 ASP F 37 101.723 9.204 3.483 1.00 0.00 H new ATOM 0 HB3 ASP F 37 103.060 8.507 4.377 1.00 0.00 H new ATOM 1382 N PRO F 38 105.820 11.020 3.119 1.00 0.00 N ATOM 1383 CA PRO F 38 107.234 11.159 3.591 1.00 0.00 C ATOM 1384 C PRO F 38 107.345 11.150 5.118 1.00 0.00 C ATOM 1385 O PRO F 38 108.280 10.565 5.666 1.00 0.00 O ATOM 1386 CB PRO F 38 107.708 12.495 3.000 1.00 0.00 C ATOM 1387 CG PRO F 38 106.474 13.255 2.643 1.00 0.00 C ATOM 1388 CD PRO F 38 105.364 12.232 2.407 1.00 0.00 C ATOM 0 HA PRO F 38 107.848 10.319 3.267 1.00 0.00 H new ATOM 0 HB2 PRO F 38 108.310 13.048 3.721 1.00 0.00 H new ATOM 0 HB3 PRO F 38 108.332 12.332 2.122 1.00 0.00 H new ATOM 0 HG2 PRO F 38 106.200 13.942 3.444 1.00 0.00 H new ATOM 0 HG3 PRO F 38 106.638 13.857 1.749 1.00 0.00 H new ATOM 0 HD2 PRO F 38 104.409 12.585 2.796 1.00 0.00 H new ATOM 0 HD3 PRO F 38 105.222 12.038 1.344 1.00 0.00 H new ATOM 1396 N SER F 39 106.392 11.793 5.798 1.00 0.00 N ATOM 1397 CA SER F 39 106.406 11.842 7.264 1.00 0.00 C ATOM 1398 C SER F 39 106.323 10.429 7.849 1.00 0.00 C ATOM 1399 O SER F 39 106.969 10.128 8.856 1.00 0.00 O ATOM 1400 CB SER F 39 105.236 12.690 7.781 1.00 0.00 C ATOM 1401 OG SER F 39 105.421 12.955 9.168 1.00 0.00 O ATOM 0 H SER F 39 105.609 12.282 5.364 1.00 0.00 H new ATOM 0 HA SER F 39 107.343 12.299 7.582 1.00 0.00 H new ATOM 0 HB2 SER F 39 105.177 13.626 7.225 1.00 0.00 H new ATOM 0 HB3 SER F 39 104.294 12.165 7.622 1.00 0.00 H new ATOM 0 HG SER F 39 104.675 13.498 9.500 1.00 0.00 H new ATOM 1407 N GLN F 40 105.520 9.576 7.207 1.00 0.00 N ATOM 1408 CA GLN F 40 105.342 8.191 7.654 1.00 0.00 C ATOM 1409 C GLN F 40 106.593 7.341 7.433 1.00 0.00 C ATOM 1410 O GLN F 40 106.725 6.294 8.058 1.00 0.00 O ATOM 1411 CB GLN F 40 104.165 7.531 6.917 1.00 0.00 C ATOM 1412 CG GLN F 40 102.837 8.061 7.467 1.00 0.00 C ATOM 1413 CD GLN F 40 101.662 7.388 6.756 1.00 0.00 C ATOM 1414 OE1 GLN F 40 101.504 6.170 6.834 1.00 0.00 O ATOM 1415 NE2 GLN F 40 100.822 8.111 6.068 1.00 0.00 N ATOM 0 H GLN F 40 104.982 9.820 6.375 1.00 0.00 H new ATOM 0 HA GLN F 40 105.141 8.238 8.724 1.00 0.00 H new ATOM 0 HB2 GLN F 40 104.233 7.737 5.849 1.00 0.00 H new ATOM 0 HB3 GLN F 40 104.211 6.449 7.037 1.00 0.00 H new ATOM 0 HG2 GLN F 40 102.778 7.873 8.539 1.00 0.00 H new ATOM 0 HG3 GLN F 40 102.784 9.141 7.330 1.00 0.00 H new ATOM 0 HE21 GLN F 40 100.952 9.121 6.003 1.00 0.00 H new ATOM 0 HE22 GLN F 40 100.035 7.667 5.595 1.00 0.00 H new ATOM 1424 N SER F 41 107.484 7.764 6.522 1.00 0.00 N ATOM 1425 CA SER F 41 108.692 6.977 6.208 1.00 0.00 C ATOM 1426 C SER F 41 109.410 6.499 7.473 1.00 0.00 C ATOM 1427 O SER F 41 109.867 5.361 7.532 1.00 0.00 O ATOM 1428 CB SER F 41 109.660 7.806 5.355 1.00 0.00 C ATOM 1429 OG SER F 41 110.208 8.860 6.137 1.00 0.00 O ATOM 0 H SER F 41 107.395 8.633 5.996 1.00 0.00 H new ATOM 0 HA SER F 41 108.367 6.098 5.651 1.00 0.00 H new ATOM 0 HB2 SER F 41 110.459 7.170 4.973 1.00 0.00 H new ATOM 0 HB3 SER F 41 109.138 8.216 4.490 1.00 0.00 H new ATOM 0 HG SER F 41 109.502 9.500 6.364 1.00 0.00 H new ATOM 1435 N ALA F 42 109.484 7.368 8.475 1.00 0.00 N ATOM 1436 CA ALA F 42 110.136 7.027 9.743 1.00 0.00 C ATOM 1437 C ALA F 42 109.425 5.855 10.430 1.00 0.00 C ATOM 1438 O ALA F 42 110.065 4.864 10.791 1.00 0.00 O ATOM 1439 CB ALA F 42 110.141 8.247 10.671 1.00 0.00 C ATOM 0 H ALA F 42 109.103 8.313 8.438 1.00 0.00 H new ATOM 0 HA ALA F 42 111.162 6.728 9.529 1.00 0.00 H new ATOM 0 HB1 ALA F 42 110.627 7.987 11.611 1.00 0.00 H new ATOM 0 HB2 ALA F 42 110.684 9.064 10.196 1.00 0.00 H new ATOM 0 HB3 ALA F 42 109.115 8.559 10.867 1.00 0.00 H new ATOM 1445 N ASN F 43 108.101 5.965 10.592 1.00 0.00 N ATOM 1446 CA ASN F 43 107.324 4.892 11.220 1.00 0.00 C ATOM 1447 C ASN F 43 107.374 3.639 10.351 1.00 0.00 C ATOM 1448 O ASN F 43 107.489 2.519 10.858 1.00 0.00 O ATOM 1449 CB ASN F 43 105.868 5.324 11.418 1.00 0.00 C ATOM 1450 CG ASN F 43 105.788 6.428 12.468 1.00 0.00 C ATOM 1451 OD1 ASN F 43 105.430 7.563 12.157 1.00 0.00 O ATOM 1452 ND2 ASN F 43 106.097 6.155 13.705 1.00 0.00 N ATOM 0 H ASN F 43 107.552 6.774 10.301 1.00 0.00 H new ATOM 0 HA ASN F 43 107.760 4.676 12.195 1.00 0.00 H new ATOM 0 HB2 ASN F 43 105.454 5.678 10.474 1.00 0.00 H new ATOM 0 HB3 ASN F 43 105.266 4.470 11.730 1.00 0.00 H new ATOM 0 HD21 ASN F 43 106.042 6.883 14.417 1.00 0.00 H new ATOM 0 HD22 ASN F 43 106.394 5.213 13.961 1.00 0.00 H new ATOM 1459 N LEU F 44 107.305 3.852 9.037 1.00 0.00 N ATOM 1460 CA LEU F 44 107.361 2.761 8.072 1.00 0.00 C ATOM 1461 C LEU F 44 108.706 2.061 8.175 1.00 0.00 C ATOM 1462 O LEU F 44 108.792 0.850 8.004 1.00 0.00 O ATOM 1463 CB LEU F 44 107.172 3.301 6.649 1.00 0.00 C ATOM 1464 CG LEU F 44 105.753 3.872 6.479 1.00 0.00 C ATOM 1465 CD1 LEU F 44 105.709 4.766 5.232 1.00 0.00 C ATOM 1466 CD2 LEU F 44 104.749 2.721 6.324 1.00 0.00 C ATOM 0 H LEU F 44 107.210 4.777 8.617 1.00 0.00 H new ATOM 0 HA LEU F 44 106.561 2.053 8.291 1.00 0.00 H new ATOM 0 HB2 LEU F 44 107.910 4.077 6.446 1.00 0.00 H new ATOM 0 HB3 LEU F 44 107.340 2.504 5.925 1.00 0.00 H new ATOM 0 HG LEU F 44 105.491 4.461 7.358 1.00 0.00 H new ATOM 0 HD11 LEU F 44 104.705 5.171 5.110 1.00 0.00 H new ATOM 0 HD12 LEU F 44 106.419 5.585 5.346 1.00 0.00 H new ATOM 0 HD13 LEU F 44 105.972 4.178 4.353 1.00 0.00 H new ATOM 0 HD21 LEU F 44 103.745 3.128 6.204 1.00 0.00 H new ATOM 0 HD22 LEU F 44 105.008 2.128 5.447 1.00 0.00 H new ATOM 0 HD23 LEU F 44 104.780 2.089 7.211 1.00 0.00 H new ATOM 1478 N LEU F 45 109.750 2.846 8.461 1.00 0.00 N ATOM 1479 CA LEU F 45 111.096 2.306 8.599 1.00 0.00 C ATOM 1480 C LEU F 45 111.145 1.305 9.749 1.00 0.00 C ATOM 1481 O LEU F 45 111.820 0.283 9.656 1.00 0.00 O ATOM 1482 CB LEU F 45 112.109 3.447 8.848 1.00 0.00 C ATOM 1483 CG LEU F 45 113.070 3.556 7.651 1.00 0.00 C ATOM 1484 CD1 LEU F 45 112.352 4.225 6.464 1.00 0.00 C ATOM 1485 CD2 LEU F 45 114.310 4.391 8.027 1.00 0.00 C ATOM 0 H LEU F 45 109.684 3.854 8.600 1.00 0.00 H new ATOM 0 HA LEU F 45 111.363 1.796 7.674 1.00 0.00 H new ATOM 0 HB2 LEU F 45 111.582 4.390 8.991 1.00 0.00 H new ATOM 0 HB3 LEU F 45 112.671 3.255 9.762 1.00 0.00 H new ATOM 0 HG LEU F 45 113.388 2.551 7.372 1.00 0.00 H new ATOM 0 HD11 LEU F 45 113.037 4.300 5.620 1.00 0.00 H new ATOM 0 HD12 LEU F 45 111.487 3.627 6.178 1.00 0.00 H new ATOM 0 HD13 LEU F 45 112.023 5.223 6.753 1.00 0.00 H new ATOM 0 HD21 LEU F 45 114.978 4.457 7.168 1.00 0.00 H new ATOM 0 HD22 LEU F 45 113.998 5.393 8.322 1.00 0.00 H new ATOM 0 HD23 LEU F 45 114.832 3.914 8.857 1.00 0.00 H new ATOM 1497 N ALA F 46 110.418 1.607 10.828 1.00 0.00 N ATOM 1498 CA ALA F 46 110.381 0.726 11.993 1.00 0.00 C ATOM 1499 C ALA F 46 109.763 -0.623 11.627 1.00 0.00 C ATOM 1500 O ALA F 46 110.343 -1.672 11.917 1.00 0.00 O ATOM 1501 CB ALA F 46 109.565 1.384 13.114 1.00 0.00 C ATOM 0 H ALA F 46 109.851 2.450 10.917 1.00 0.00 H new ATOM 0 HA ALA F 46 111.402 0.559 12.336 1.00 0.00 H new ATOM 0 HB1 ALA F 46 109.540 0.724 13.981 1.00 0.00 H new ATOM 0 HB2 ALA F 46 110.027 2.331 13.392 1.00 0.00 H new ATOM 0 HB3 ALA F 46 108.548 1.565 12.766 1.00 0.00 H new ATOM 1507 N GLU F 47 108.586 -0.589 10.992 1.00 0.00 N ATOM 1508 CA GLU F 47 107.901 -1.821 10.593 1.00 0.00 C ATOM 1509 C GLU F 47 108.662 -2.525 9.470 1.00 0.00 C ATOM 1510 O GLU F 47 108.793 -3.747 9.477 1.00 0.00 O ATOM 1511 CB GLU F 47 106.479 -1.521 10.116 1.00 0.00 C ATOM 1512 CG GLU F 47 105.667 -0.862 11.240 1.00 0.00 C ATOM 1513 CD GLU F 47 104.210 -0.688 10.804 1.00 0.00 C ATOM 1514 OE1 GLU F 47 103.954 0.200 10.006 1.00 0.00 O ATOM 1515 OE2 GLU F 47 103.375 -1.447 11.270 1.00 0.00 O ATOM 0 H GLU F 47 108.093 0.269 10.746 1.00 0.00 H new ATOM 0 HA GLU F 47 107.861 -2.471 11.467 1.00 0.00 H new ATOM 0 HB2 GLU F 47 106.511 -0.863 9.248 1.00 0.00 H new ATOM 0 HB3 GLU F 47 105.992 -2.443 9.799 1.00 0.00 H new ATOM 0 HG2 GLU F 47 105.715 -1.474 12.141 1.00 0.00 H new ATOM 0 HG3 GLU F 47 106.098 0.107 11.490 1.00 0.00 H new ATOM 1522 N ALA F 48 109.167 -1.739 8.512 1.00 0.00 N ATOM 1523 CA ALA F 48 109.926 -2.289 7.388 1.00 0.00 C ATOM 1524 C ALA F 48 111.157 -3.002 7.923 1.00 0.00 C ATOM 1525 O ALA F 48 111.493 -4.109 7.491 1.00 0.00 O ATOM 1526 CB ALA F 48 110.344 -1.167 6.434 1.00 0.00 C ATOM 0 H ALA F 48 109.063 -0.724 8.494 1.00 0.00 H new ATOM 0 HA ALA F 48 109.303 -2.995 6.839 1.00 0.00 H new ATOM 0 HB1 ALA F 48 110.908 -1.588 5.602 1.00 0.00 H new ATOM 0 HB2 ALA F 48 109.455 -0.664 6.052 1.00 0.00 H new ATOM 0 HB3 ALA F 48 110.967 -0.449 6.968 1.00 0.00 H new ATOM 1532 N LYS F 49 111.799 -2.371 8.900 1.00 0.00 N ATOM 1533 CA LYS F 49 112.957 -2.955 9.539 1.00 0.00 C ATOM 1534 C LYS F 49 112.514 -4.196 10.317 1.00 0.00 C ATOM 1535 O LYS F 49 113.209 -5.213 10.329 1.00 0.00 O ATOM 1536 CB LYS F 49 113.601 -1.934 10.482 1.00 0.00 C ATOM 1537 CG LYS F 49 114.952 -2.469 10.976 1.00 0.00 C ATOM 1538 CD LYS F 49 115.149 -2.103 12.453 1.00 0.00 C ATOM 1539 CE LYS F 49 115.468 -0.609 12.593 1.00 0.00 C ATOM 1540 NZ LYS F 49 115.707 -0.287 14.030 1.00 0.00 N ATOM 0 H LYS F 49 111.532 -1.456 9.262 1.00 0.00 H new ATOM 0 HA LYS F 49 113.694 -3.240 8.789 1.00 0.00 H new ATOM 0 HB2 LYS F 49 113.742 -0.985 9.965 1.00 0.00 H new ATOM 0 HB3 LYS F 49 112.943 -1.741 11.329 1.00 0.00 H new ATOM 0 HG2 LYS F 49 114.992 -3.551 10.852 1.00 0.00 H new ATOM 0 HG3 LYS F 49 115.760 -2.049 10.377 1.00 0.00 H new ATOM 0 HD2 LYS F 49 114.248 -2.344 13.018 1.00 0.00 H new ATOM 0 HD3 LYS F 49 115.959 -2.696 12.877 1.00 0.00 H new ATOM 0 HE2 LYS F 49 116.348 -0.356 12.001 1.00 0.00 H new ATOM 0 HE3 LYS F 49 114.642 -0.012 12.207 1.00 0.00 H new ATOM 0 HZ1 LYS F 49 115.924 0.726 14.128 1.00 0.00 H new ATOM 0 HZ2 LYS F 49 114.856 -0.514 14.583 1.00 0.00 H new ATOM 0 HZ3 LYS F 49 116.509 -0.848 14.383 1.00 0.00 H new ATOM 1554 N LYS F 50 111.332 -4.103 10.949 1.00 0.00 N ATOM 1555 CA LYS F 50 110.779 -5.222 11.715 1.00 0.00 C ATOM 1556 C LYS F 50 110.544 -6.417 10.797 1.00 0.00 C ATOM 1557 O LYS F 50 110.744 -7.557 11.205 1.00 0.00 O ATOM 1558 CB LYS F 50 109.472 -4.800 12.404 1.00 0.00 C ATOM 1559 CG LYS F 50 108.929 -5.941 13.280 1.00 0.00 C ATOM 1560 CD LYS F 50 107.764 -5.435 14.148 1.00 0.00 C ATOM 1561 CE LYS F 50 106.551 -5.102 13.268 1.00 0.00 C ATOM 1562 NZ LYS F 50 105.354 -4.898 14.133 1.00 0.00 N ATOM 0 H LYS F 50 110.747 -3.267 10.942 1.00 0.00 H new ATOM 0 HA LYS F 50 111.493 -5.513 12.485 1.00 0.00 H new ATOM 0 HB2 LYS F 50 109.647 -3.916 13.017 1.00 0.00 H new ATOM 0 HB3 LYS F 50 108.731 -4.526 11.653 1.00 0.00 H new ATOM 0 HG2 LYS F 50 108.592 -6.764 12.650 1.00 0.00 H new ATOM 0 HG3 LYS F 50 109.724 -6.331 13.916 1.00 0.00 H new ATOM 0 HD2 LYS F 50 107.492 -6.193 14.882 1.00 0.00 H new ATOM 0 HD3 LYS F 50 108.073 -4.550 14.704 1.00 0.00 H new ATOM 0 HE2 LYS F 50 106.748 -4.204 12.683 1.00 0.00 H new ATOM 0 HE3 LYS F 50 106.368 -5.910 12.560 1.00 0.00 H new ATOM 0 HZ1 LYS F 50 104.531 -4.672 13.539 1.00 0.00 H new ATOM 0 HZ2 LYS F 50 105.164 -5.766 14.673 1.00 0.00 H new ATOM 0 HZ3 LYS F 50 105.531 -4.113 14.792 1.00 0.00 H new ATOM 1576 N LEU F 51 110.140 -6.147 9.548 1.00 0.00 N ATOM 1577 CA LEU F 51 109.915 -7.220 8.576 1.00 0.00 C ATOM 1578 C LEU F 51 111.199 -7.976 8.320 1.00 0.00 C ATOM 1579 O LEU F 51 111.190 -9.196 8.207 1.00 0.00 O ATOM 1580 CB LEU F 51 109.427 -6.656 7.251 1.00 0.00 C ATOM 1581 CG LEU F 51 107.970 -6.239 7.341 1.00 0.00 C ATOM 1582 CD1 LEU F 51 107.551 -5.599 6.011 1.00 0.00 C ATOM 1583 CD2 LEU F 51 107.098 -7.477 7.649 1.00 0.00 C ATOM 0 H LEU F 51 109.965 -5.207 9.192 1.00 0.00 H new ATOM 0 HA LEU F 51 109.161 -7.887 8.993 1.00 0.00 H new ATOM 0 HB2 LEU F 51 110.038 -5.798 6.970 1.00 0.00 H new ATOM 0 HB3 LEU F 51 109.547 -7.404 6.467 1.00 0.00 H new ATOM 0 HG LEU F 51 107.835 -5.513 8.142 1.00 0.00 H new ATOM 0 HD11 LEU F 51 106.505 -5.296 6.066 1.00 0.00 H new ATOM 0 HD12 LEU F 51 108.172 -4.725 5.816 1.00 0.00 H new ATOM 0 HD13 LEU F 51 107.677 -6.321 5.204 1.00 0.00 H new ATOM 0 HD21 LEU F 51 106.052 -7.178 7.714 1.00 0.00 H new ATOM 0 HD22 LEU F 51 107.217 -8.213 6.853 1.00 0.00 H new ATOM 0 HD23 LEU F 51 107.410 -7.915 8.597 1.00 0.00 H new ATOM 1595 N ASN F 52 112.306 -7.237 8.243 1.00 0.00 N ATOM 1596 CA ASN F 52 113.605 -7.858 8.022 1.00 0.00 C ATOM 1597 C ASN F 52 113.841 -8.887 9.140 1.00 0.00 C ATOM 1598 O ASN F 52 114.403 -9.960 8.907 1.00 0.00 O ATOM 1599 CB ASN F 52 114.710 -6.767 7.970 1.00 0.00 C ATOM 1600 CG ASN F 52 115.766 -6.970 9.053 1.00 0.00 C ATOM 1601 OD1 ASN F 52 116.854 -7.480 8.790 1.00 0.00 O ATOM 1602 ND2 ASN F 52 115.489 -6.596 10.262 1.00 0.00 N ATOM 0 H ASN F 52 112.327 -6.221 8.330 1.00 0.00 H new ATOM 0 HA ASN F 52 113.636 -8.378 7.065 1.00 0.00 H new ATOM 0 HB2 ASN F 52 115.188 -6.782 6.990 1.00 0.00 H new ATOM 0 HB3 ASN F 52 114.254 -5.784 8.088 1.00 0.00 H new ATOM 0 HD21 ASN F 52 116.176 -6.724 11.005 1.00 0.00 H new ATOM 0 HD22 ASN F 52 114.584 -6.174 10.471 1.00 0.00 H new ATOM 1609 N ASP F 53 113.361 -8.540 10.344 1.00 0.00 N ATOM 1610 CA ASP F 53 113.463 -9.414 11.511 1.00 0.00 C ATOM 1611 C ASP F 53 112.389 -10.515 11.453 1.00 0.00 C ATOM 1612 O ASP F 53 112.630 -11.654 11.860 1.00 0.00 O ATOM 1613 CB ASP F 53 113.304 -8.589 12.802 1.00 0.00 C ATOM 1614 CG ASP F 53 114.402 -7.521 12.890 1.00 0.00 C ATOM 1615 OD1 ASP F 53 115.565 -7.889 12.957 1.00 0.00 O ATOM 1616 OD2 ASP F 53 114.065 -6.346 12.878 1.00 0.00 O ATOM 0 H ASP F 53 112.896 -7.652 10.530 1.00 0.00 H new ATOM 0 HA ASP F 53 114.446 -9.886 11.509 1.00 0.00 H new ATOM 0 HB2 ASP F 53 112.323 -8.114 12.820 1.00 0.00 H new ATOM 0 HB3 ASP F 53 113.356 -9.246 13.670 1.00 0.00 H new ATOM 1621 N ALA F 54 111.203 -10.148 10.949 1.00 0.00 N ATOM 1622 CA ALA F 54 110.073 -11.080 10.833 1.00 0.00 C ATOM 1623 C ALA F 54 110.295 -12.109 9.720 1.00 0.00 C ATOM 1624 O ALA F 54 109.821 -13.244 9.814 1.00 0.00 O ATOM 1625 CB ALA F 54 108.786 -10.298 10.547 1.00 0.00 C ATOM 0 H ALA F 54 111.001 -9.206 10.613 1.00 0.00 H new ATOM 0 HA ALA F 54 109.989 -11.616 11.778 1.00 0.00 H new ATOM 0 HB1 ALA F 54 107.950 -10.992 10.462 1.00 0.00 H new ATOM 0 HB2 ALA F 54 108.596 -9.600 11.362 1.00 0.00 H new ATOM 0 HB3 ALA F 54 108.896 -9.746 9.614 1.00 0.00 H new ATOM 1631 N GLN F 55 111.003 -11.691 8.666 1.00 0.00 N ATOM 1632 CA GLN F 55 111.280 -12.558 7.516 1.00 0.00 C ATOM 1633 C GLN F 55 112.660 -13.198 7.636 1.00 0.00 C ATOM 1634 O GLN F 55 113.036 -14.043 6.821 1.00 0.00 O ATOM 1635 CB GLN F 55 111.215 -11.749 6.215 1.00 0.00 C ATOM 1636 CG GLN F 55 109.796 -11.196 6.025 1.00 0.00 C ATOM 1637 CD GLN F 55 109.664 -10.488 4.674 1.00 0.00 C ATOM 1638 OE1 GLN F 55 110.358 -10.830 3.714 1.00 0.00 O ATOM 1639 NE2 GLN F 55 108.806 -9.517 4.540 1.00 0.00 N ATOM 0 H GLN F 55 111.396 -10.753 8.585 1.00 0.00 H new ATOM 0 HA GLN F 55 110.524 -13.343 7.500 1.00 0.00 H new ATOM 0 HB2 GLN F 55 111.934 -10.931 6.247 1.00 0.00 H new ATOM 0 HB3 GLN F 55 111.487 -12.379 5.369 1.00 0.00 H new ATOM 0 HG2 GLN F 55 109.073 -12.009 6.087 1.00 0.00 H new ATOM 0 HG3 GLN F 55 109.562 -10.499 6.830 1.00 0.00 H new ATOM 0 HE21 GLN F 55 108.231 -9.232 5.332 1.00 0.00 H new ATOM 0 HE22 GLN F 55 108.710 -9.042 3.643 1.00 0.00 H new ATOM 1648 N ALA F 56 113.407 -12.767 8.649 1.00 0.00 N ATOM 1649 CA ALA F 56 114.752 -13.261 8.892 1.00 0.00 C ATOM 1650 C ALA F 56 114.771 -14.770 9.146 1.00 0.00 C ATOM 1651 O ALA F 56 113.724 -15.398 9.336 1.00 0.00 O ATOM 1652 CB ALA F 56 115.350 -12.532 10.103 1.00 0.00 C ATOM 0 H ALA F 56 113.094 -12.067 9.321 1.00 0.00 H new ATOM 0 HA ALA F 56 115.346 -13.067 7.999 1.00 0.00 H new ATOM 0 HB1 ALA F 56 116.359 -12.901 10.288 1.00 0.00 H new ATOM 0 HB2 ALA F 56 115.386 -11.461 9.902 1.00 0.00 H new ATOM 0 HB3 ALA F 56 114.730 -12.716 10.981 1.00 0.00 H new TER 1658 ALA F 56