USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=15 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 26 GLN : amide:sc= -1.37 K(o=-5.4,f=-1.5) USER MOD Set 1.2: F 55 GLN : amide:sc= -4! K(o=-5.4!,f=-1.5) USER MOD Set 2.1: E 23 ASN : amide:sc= -1.85! C(o=-6.2!,f=-8.6!) USER MOD Set 2.2: E 26 GLN : amide:sc= -3.75! C(o=-6.2!,f=-8.9!) USER MOD Set 2.3: E 55 GLN : amide:sc= -0.627 K(o=-6.2,f=-6.8!) USER MOD Set 3.1: C 16 LYS NZ :NH3+ -157:sc= 0.315 (180deg=-1.36!) USER MOD Set 3.2: C 35 MET CE :methyl -131:sc= -2.85 (180deg=-5.28!) USER MOD Single : C 26 SER OG : rot 180:sc= 0.203 USER MOD Single : C 27 ASN : amide:sc= -0.0881 X(o=-0.088,f=-0.12) USER MOD Single : C 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : E 18 TYR OH : rot 143:sc= 1.15 USER MOD Single : E 21 ASN : amide:sc= -1.64! X(o=-1.6!,f=-2) USER MOD Single : E 32 HIS : no HE2:sc= 1.11 K(o=1.9,f=-5.8!) USER MOD Single : E 33 SER OG : rot -51:sc= 0.786 USER MOD Single : E 35 HIS : no HD1:sc= -0.991 X(o=-0.99,f=-1) USER MOD Single : E 39 SER OG : rot 180:sc= 0 USER MOD Single : E 40 GLN : amide:sc= 0.137 X(o=0.14,f=0) USER MOD Single : E 41 SER OG : rot -88:sc= 1.2 USER MOD Single : E 43 ASN : amide:sc=-0.000997 X(o=-0.001,f=0) USER MOD Single : E 49 LYS NZ :NH3+ 126:sc= -0.133 (180deg=-0.798) USER MOD Single : E 50 LYS NZ :NH3+ -107:sc= 0.758 (180deg=-1.03!) USER MOD Single : E 52 ASN : amide:sc= -0.112 X(o=-0.11,f=0) USER MOD Single : F 18 TYR OH : rot -89:sc= 1.3 USER MOD Single : F 21 ASN : amide:sc= -0.0347 K(o=-0.035,f=-0.83) USER MOD Single : F 23 ASN : amide:sc= -3.05! C(o=-3!,f=-11!) USER MOD Single : F 32 HIS : no HE2:sc= 0.0669 K(o=0.067,f=-2.6) USER MOD Single : F 33 SER OG : rot -59:sc= -0.733! USER MOD Single : F 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : F 39 SER OG : rot -70:sc= 1.24 USER MOD Single : F 40 GLN : amide:sc= -0.879 K(o=-0.88,f=-0.033) USER MOD Single : F 41 SER OG : rot -92:sc= 1.14 USER MOD Single : F 43 ASN : amide:sc= 0 X(o=0,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= 0.856 K(o=0.86,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS C 16 126.393 -9.886 -3.272 1.00 0.00 N ATOM 2 CA LYS C 16 125.075 -9.679 -2.687 1.00 0.00 C ATOM 3 C LYS C 16 124.630 -8.218 -2.779 1.00 0.00 C ATOM 4 O LYS C 16 125.449 -7.298 -2.798 1.00 0.00 O ATOM 5 CB LYS C 16 125.067 -10.208 -1.225 1.00 0.00 C ATOM 6 CG LYS C 16 124.954 -9.082 -0.182 1.00 0.00 C ATOM 7 CD LYS C 16 126.231 -8.234 -0.204 1.00 0.00 C ATOM 8 CE LYS C 16 125.885 -6.767 0.084 1.00 0.00 C ATOM 9 NZ LYS C 16 125.544 -6.616 1.526 1.00 0.00 N ATOM 0 HA LYS C 16 124.344 -10.247 -3.262 1.00 0.00 H new ATOM 0 HB2 LYS C 16 124.233 -10.899 -1.098 1.00 0.00 H new ATOM 0 HB3 LYS C 16 125.981 -10.774 -1.044 1.00 0.00 H new ATOM 0 HG2 LYS C 16 124.087 -8.458 -0.398 1.00 0.00 H new ATOM 0 HG3 LYS C 16 124.803 -9.505 0.811 1.00 0.00 H new ATOM 0 HD2 LYS C 16 126.937 -8.604 0.540 1.00 0.00 H new ATOM 0 HD3 LYS C 16 126.718 -8.318 -1.175 1.00 0.00 H new ATOM 0 HE2 LYS C 16 126.728 -6.126 -0.171 1.00 0.00 H new ATOM 0 HE3 LYS C 16 125.045 -6.451 -0.535 1.00 0.00 H new ATOM 0 HZ1 LYS C 16 124.953 -5.770 1.656 1.00 0.00 H new ATOM 0 HZ2 LYS C 16 125.022 -7.456 1.849 1.00 0.00 H new ATOM 0 HZ3 LYS C 16 126.418 -6.517 2.081 1.00 0.00 H new ATOM 23 N LEU C 17 123.310 -8.029 -2.826 1.00 0.00 N ATOM 24 CA LEU C 17 122.715 -6.697 -2.882 1.00 0.00 C ATOM 25 C LEU C 17 121.685 -6.573 -1.771 1.00 0.00 C ATOM 26 O LEU C 17 121.036 -7.560 -1.408 1.00 0.00 O ATOM 27 CB LEU C 17 122.076 -6.422 -4.251 1.00 0.00 C ATOM 28 CG LEU C 17 122.982 -5.471 -5.064 1.00 0.00 C ATOM 29 CD1 LEU C 17 123.881 -6.281 -6.014 1.00 0.00 C ATOM 30 CD2 LEU C 17 122.109 -4.482 -5.852 1.00 0.00 C ATOM 0 H LEU C 17 122.630 -8.789 -2.826 1.00 0.00 H new ATOM 0 HA LEU C 17 123.499 -5.953 -2.742 1.00 0.00 H new ATOM 0 HB2 LEU C 17 121.935 -7.358 -4.792 1.00 0.00 H new ATOM 0 HB3 LEU C 17 121.089 -5.977 -4.120 1.00 0.00 H new ATOM 0 HG LEU C 17 123.624 -4.910 -4.384 1.00 0.00 H new ATOM 0 HD11 LEU C 17 124.516 -5.601 -6.582 1.00 0.00 H new ATOM 0 HD12 LEU C 17 124.505 -6.960 -5.433 1.00 0.00 H new ATOM 0 HD13 LEU C 17 123.260 -6.857 -6.700 1.00 0.00 H new ATOM 0 HD21 LEU C 17 122.747 -3.810 -6.426 1.00 0.00 H new ATOM 0 HD22 LEU C 17 121.458 -5.032 -6.531 1.00 0.00 H new ATOM 0 HD23 LEU C 17 121.501 -3.901 -5.159 1.00 0.00 H new ATOM 42 N VAL C 18 121.562 -5.369 -1.216 1.00 0.00 N ATOM 43 CA VAL C 18 120.631 -5.139 -0.110 1.00 0.00 C ATOM 44 C VAL C 18 119.949 -3.783 -0.262 1.00 0.00 C ATOM 45 O VAL C 18 120.613 -2.795 -0.556 1.00 0.00 O ATOM 46 CB VAL C 18 121.404 -5.192 1.225 1.00 0.00 C ATOM 47 CG1 VAL C 18 120.420 -5.342 2.392 1.00 0.00 C ATOM 48 CG2 VAL C 18 122.395 -6.379 1.226 1.00 0.00 C ATOM 0 H VAL C 18 122.088 -4.545 -1.509 1.00 0.00 H new ATOM 0 HA VAL C 18 119.865 -5.914 -0.121 1.00 0.00 H new ATOM 0 HB VAL C 18 121.964 -4.264 1.340 1.00 0.00 H new ATOM 0 HG11 VAL C 18 120.972 -5.379 3.331 1.00 0.00 H new ATOM 0 HG12 VAL C 18 119.738 -4.491 2.405 1.00 0.00 H new ATOM 0 HG13 VAL C 18 119.849 -6.263 2.271 1.00 0.00 H new ATOM 0 HG21 VAL C 18 122.933 -6.403 2.174 1.00 0.00 H new ATOM 0 HG22 VAL C 18 121.846 -7.312 1.096 1.00 0.00 H new ATOM 0 HG23 VAL C 18 123.106 -6.260 0.408 1.00 0.00 H new ATOM 58 N PHE C 19 118.629 -3.741 -0.038 1.00 0.00 N ATOM 59 CA PHE C 19 117.869 -2.496 -0.131 1.00 0.00 C ATOM 60 C PHE C 19 117.645 -1.936 1.258 1.00 0.00 C ATOM 61 O PHE C 19 117.208 -2.649 2.158 1.00 0.00 O ATOM 62 CB PHE C 19 116.499 -2.731 -0.799 1.00 0.00 C ATOM 63 CG PHE C 19 116.515 -2.182 -2.208 1.00 0.00 C ATOM 64 CD1 PHE C 19 117.376 -2.752 -3.154 1.00 0.00 C ATOM 65 CD2 PHE C 19 115.682 -1.102 -2.571 1.00 0.00 C ATOM 66 CE1 PHE C 19 117.415 -2.256 -4.455 1.00 0.00 C ATOM 67 CE2 PHE C 19 115.726 -0.610 -3.883 1.00 0.00 C ATOM 68 CZ PHE C 19 116.593 -1.187 -4.822 1.00 0.00 C ATOM 0 H PHE C 19 118.069 -4.557 0.209 1.00 0.00 H new ATOM 0 HA PHE C 19 118.441 -1.794 -0.738 1.00 0.00 H new ATOM 0 HB2 PHE C 19 116.271 -3.797 -0.817 1.00 0.00 H new ATOM 0 HB3 PHE C 19 115.713 -2.247 -0.219 1.00 0.00 H new ATOM 0 HD1 PHE C 19 118.012 -3.579 -2.874 1.00 0.00 H new ATOM 0 HD2 PHE C 19 115.017 -0.659 -1.845 1.00 0.00 H new ATOM 0 HE1 PHE C 19 118.081 -2.698 -5.181 1.00 0.00 H new ATOM 0 HE2 PHE C 19 115.091 0.215 -4.171 1.00 0.00 H new ATOM 0 HZ PHE C 19 116.626 -0.804 -5.831 1.00 0.00 H new ATOM 78 N PHE C 20 117.946 -0.657 1.414 1.00 0.00 N ATOM 79 CA PHE C 20 117.773 0.020 2.703 1.00 0.00 C ATOM 80 C PHE C 20 117.233 1.435 2.513 1.00 0.00 C ATOM 81 O PHE C 20 117.433 2.049 1.461 1.00 0.00 O ATOM 82 CB PHE C 20 119.109 0.070 3.452 1.00 0.00 C ATOM 83 CG PHE C 20 120.096 0.893 2.679 1.00 0.00 C ATOM 84 CD1 PHE C 20 120.095 2.287 2.802 1.00 0.00 C ATOM 85 CD2 PHE C 20 121.002 0.265 1.830 1.00 0.00 C ATOM 86 CE1 PHE C 20 121.001 3.047 2.073 1.00 0.00 C ATOM 87 CE2 PHE C 20 121.904 1.022 1.102 1.00 0.00 C ATOM 88 CZ PHE C 20 121.908 2.419 1.221 1.00 0.00 C ATOM 0 H PHE C 20 118.311 -0.062 0.670 1.00 0.00 H new ATOM 0 HA PHE C 20 117.049 -0.547 3.289 1.00 0.00 H new ATOM 0 HB2 PHE C 20 118.964 0.497 4.444 1.00 0.00 H new ATOM 0 HB3 PHE C 20 119.495 -0.940 3.593 1.00 0.00 H new ATOM 0 HD1 PHE C 20 119.391 2.771 3.463 1.00 0.00 H new ATOM 0 HD2 PHE C 20 121.002 -0.811 1.739 1.00 0.00 H new ATOM 0 HE1 PHE C 20 121.003 4.123 2.166 1.00 0.00 H new ATOM 0 HE2 PHE C 20 122.606 0.535 0.441 1.00 0.00 H new ATOM 0 HZ PHE C 20 122.613 3.008 0.653 1.00 0.00 H new ATOM 98 N ALA C 21 116.571 1.956 3.548 1.00 0.00 N ATOM 99 CA ALA C 21 116.033 3.308 3.508 1.00 0.00 C ATOM 100 C ALA C 21 116.735 4.168 4.552 1.00 0.00 C ATOM 101 O ALA C 21 116.867 3.761 5.711 1.00 0.00 O ATOM 102 CB ALA C 21 114.533 3.271 3.772 1.00 0.00 C ATOM 0 H ALA C 21 116.397 1.459 4.421 1.00 0.00 H new ATOM 0 HA ALA C 21 116.205 3.741 2.522 1.00 0.00 H new ATOM 0 HB1 ALA C 21 114.133 4.285 3.741 1.00 0.00 H new ATOM 0 HB2 ALA C 21 114.044 2.665 3.009 1.00 0.00 H new ATOM 0 HB3 ALA C 21 114.347 2.837 4.754 1.00 0.00 H new ATOM 108 N GLU C 22 117.189 5.351 4.131 1.00 0.00 N ATOM 109 CA GLU C 22 117.883 6.272 5.009 1.00 0.00 C ATOM 110 C GLU C 22 116.937 7.383 5.449 1.00 0.00 C ATOM 111 O GLU C 22 116.311 8.025 4.610 1.00 0.00 O ATOM 112 CB GLU C 22 119.076 6.862 4.242 1.00 0.00 C ATOM 113 CG GLU C 22 119.799 7.897 5.102 1.00 0.00 C ATOM 114 CD GLU C 22 120.956 8.524 4.318 1.00 0.00 C ATOM 115 OE1 GLU C 22 121.904 7.811 4.025 1.00 0.00 O ATOM 116 OE2 GLU C 22 120.879 9.706 4.023 1.00 0.00 O ATOM 0 H GLU C 22 117.082 5.688 3.174 1.00 0.00 H new ATOM 0 HA GLU C 22 118.235 5.751 5.899 1.00 0.00 H new ATOM 0 HB2 GLU C 22 119.766 6.066 3.961 1.00 0.00 H new ATOM 0 HB3 GLU C 22 118.730 7.325 3.318 1.00 0.00 H new ATOM 0 HG2 GLU C 22 119.100 8.673 5.414 1.00 0.00 H new ATOM 0 HG3 GLU C 22 120.178 7.426 6.009 1.00 0.00 H new ATOM 123 N ASP C 23 116.860 7.622 6.760 1.00 0.00 N ATOM 124 CA ASP C 23 116.012 8.679 7.292 1.00 0.00 C ATOM 125 C ASP C 23 116.704 10.011 7.054 1.00 0.00 C ATOM 126 O ASP C 23 117.801 10.251 7.561 1.00 0.00 O ATOM 127 CB ASP C 23 115.763 8.466 8.791 1.00 0.00 C ATOM 128 CG ASP C 23 114.780 9.517 9.313 1.00 0.00 C ATOM 129 OD1 ASP C 23 113.586 9.303 9.175 1.00 0.00 O ATOM 130 OD2 ASP C 23 115.235 10.519 9.841 1.00 0.00 O ATOM 0 H ASP C 23 117.375 7.097 7.467 1.00 0.00 H new ATOM 0 HA ASP C 23 115.045 8.666 6.789 1.00 0.00 H new ATOM 0 HB2 ASP C 23 115.365 7.466 8.963 1.00 0.00 H new ATOM 0 HB3 ASP C 23 116.704 8.533 9.337 1.00 0.00 H new ATOM 135 N VAL C 24 116.080 10.846 6.235 1.00 0.00 N ATOM 136 CA VAL C 24 116.651 12.149 5.873 1.00 0.00 C ATOM 137 C VAL C 24 115.719 13.298 6.255 1.00 0.00 C ATOM 138 O VAL C 24 116.048 14.467 6.028 1.00 0.00 O ATOM 139 CB VAL C 24 116.930 12.150 4.357 1.00 0.00 C ATOM 140 CG1 VAL C 24 117.778 10.912 4.018 1.00 0.00 C ATOM 141 CG2 VAL C 24 115.600 12.117 3.567 1.00 0.00 C ATOM 0 H VAL C 24 115.176 10.650 5.805 1.00 0.00 H new ATOM 0 HA VAL C 24 117.578 12.302 6.425 1.00 0.00 H new ATOM 0 HB VAL C 24 117.467 13.057 4.080 1.00 0.00 H new ATOM 0 HG11 VAL C 24 117.986 10.895 2.948 1.00 0.00 H new ATOM 0 HG12 VAL C 24 118.717 10.952 4.570 1.00 0.00 H new ATOM 0 HG13 VAL C 24 117.232 10.010 4.296 1.00 0.00 H new ATOM 0 HG21 VAL C 24 115.812 12.118 2.498 1.00 0.00 H new ATOM 0 HG22 VAL C 24 115.045 11.215 3.826 1.00 0.00 H new ATOM 0 HG23 VAL C 24 115.005 12.994 3.820 1.00 0.00 H new ATOM 151 N GLY C 25 114.552 12.959 6.813 1.00 0.00 N ATOM 152 CA GLY C 25 113.569 13.966 7.197 1.00 0.00 C ATOM 153 C GLY C 25 113.080 14.691 5.951 1.00 0.00 C ATOM 154 O GLY C 25 112.841 14.057 4.919 1.00 0.00 O ATOM 0 H GLY C 25 114.270 11.998 7.006 1.00 0.00 H new ATOM 0 HA2 GLY C 25 112.731 13.495 7.711 1.00 0.00 H new ATOM 0 HA3 GLY C 25 114.012 14.676 7.895 1.00 0.00 H new ATOM 158 N SER C 26 112.960 16.018 6.042 1.00 0.00 N ATOM 159 CA SER C 26 112.523 16.840 4.904 1.00 0.00 C ATOM 160 C SER C 26 111.193 16.347 4.310 1.00 0.00 C ATOM 161 O SER C 26 110.512 15.499 4.897 1.00 0.00 O ATOM 162 CB SER C 26 113.615 16.833 3.825 1.00 0.00 C ATOM 163 OG SER C 26 113.339 17.854 2.873 1.00 0.00 O ATOM 0 H SER C 26 113.159 16.549 6.890 1.00 0.00 H new ATOM 0 HA SER C 26 112.358 17.855 5.266 1.00 0.00 H new ATOM 0 HB2 SER C 26 114.592 16.997 4.279 1.00 0.00 H new ATOM 0 HB3 SER C 26 113.651 15.861 3.333 1.00 0.00 H new ATOM 0 HG SER C 26 114.035 17.854 2.183 1.00 0.00 H new ATOM 169 N ASN C 27 110.851 16.858 3.126 1.00 0.00 N ATOM 170 CA ASN C 27 109.634 16.438 2.436 1.00 0.00 C ATOM 171 C ASN C 27 109.921 15.144 1.674 1.00 0.00 C ATOM 172 O ASN C 27 109.064 14.618 0.959 1.00 0.00 O ATOM 173 CB ASN C 27 109.166 17.539 1.471 1.00 0.00 C ATOM 174 CG ASN C 27 107.728 17.279 1.027 1.00 0.00 C ATOM 175 OD1 ASN C 27 106.817 17.254 1.853 1.00 0.00 O ATOM 176 ND2 ASN C 27 107.469 17.080 -0.237 1.00 0.00 N ATOM 0 H ASN C 27 111.398 17.560 2.628 1.00 0.00 H new ATOM 0 HA ASN C 27 108.839 16.263 3.161 1.00 0.00 H new ATOM 0 HB2 ASN C 27 109.233 18.512 1.958 1.00 0.00 H new ATOM 0 HB3 ASN C 27 109.822 17.572 0.601 1.00 0.00 H new ATOM 0 HD21 ASN C 27 106.511 16.904 -0.540 1.00 0.00 H new ATOM 0 HD22 ASN C 27 108.225 17.101 -0.922 1.00 0.00 H new ATOM 183 N LYS C 28 111.153 14.653 1.841 1.00 0.00 N ATOM 184 CA LYS C 28 111.612 13.431 1.191 1.00 0.00 C ATOM 185 C LYS C 28 111.390 12.205 2.080 1.00 0.00 C ATOM 186 O LYS C 28 111.478 11.071 1.601 1.00 0.00 O ATOM 187 CB LYS C 28 113.109 13.564 0.894 1.00 0.00 C ATOM 188 CG LYS C 28 113.363 14.813 0.035 1.00 0.00 C ATOM 189 CD LYS C 28 114.753 14.739 -0.612 1.00 0.00 C ATOM 190 CE LYS C 28 115.844 14.798 0.465 1.00 0.00 C ATOM 191 NZ LYS C 28 117.153 15.119 -0.173 1.00 0.00 N ATOM 0 H LYS C 28 111.857 15.095 2.432 1.00 0.00 H new ATOM 0 HA LYS C 28 111.041 13.294 0.272 1.00 0.00 H new ATOM 0 HB2 LYS C 28 113.669 13.633 1.827 1.00 0.00 H new ATOM 0 HB3 LYS C 28 113.466 12.675 0.373 1.00 0.00 H new ATOM 0 HG2 LYS C 28 112.598 14.893 -0.738 1.00 0.00 H new ATOM 0 HG3 LYS C 28 113.288 15.709 0.652 1.00 0.00 H new ATOM 0 HD2 LYS C 28 114.847 13.816 -1.184 1.00 0.00 H new ATOM 0 HD3 LYS C 28 114.880 15.564 -1.314 1.00 0.00 H new ATOM 0 HE2 LYS C 28 115.595 15.554 1.210 1.00 0.00 H new ATOM 0 HE3 LYS C 28 115.906 13.844 0.988 1.00 0.00 H new ATOM 0 HZ1 LYS C 28 117.894 15.159 0.556 1.00 0.00 H new ATOM 0 HZ2 LYS C 28 117.391 14.382 -0.868 1.00 0.00 H new ATOM 0 HZ3 LYS C 28 117.089 16.039 -0.653 1.00 0.00 H new ATOM 205 N GLY C 29 111.135 12.437 3.377 1.00 0.00 N ATOM 206 CA GLY C 29 110.944 11.336 4.324 1.00 0.00 C ATOM 207 C GLY C 29 112.251 10.562 4.443 1.00 0.00 C ATOM 208 O GLY C 29 113.166 10.986 5.155 1.00 0.00 O ATOM 0 H GLY C 29 111.058 13.368 3.787 1.00 0.00 H new ATOM 0 HA2 GLY C 29 110.644 11.723 5.298 1.00 0.00 H new ATOM 0 HA3 GLY C 29 110.145 10.678 3.982 1.00 0.00 H new ATOM 212 N ALA C 30 112.339 9.449 3.708 1.00 0.00 N ATOM 213 CA ALA C 30 113.546 8.628 3.677 1.00 0.00 C ATOM 214 C ALA C 30 114.008 8.456 2.228 1.00 0.00 C ATOM 215 O ALA C 30 113.238 8.700 1.293 1.00 0.00 O ATOM 216 CB ALA C 30 113.287 7.261 4.308 1.00 0.00 C ATOM 0 H ALA C 30 111.581 9.097 3.124 1.00 0.00 H new ATOM 0 HA ALA C 30 114.326 9.127 4.252 1.00 0.00 H new ATOM 0 HB1 ALA C 30 114.200 6.666 4.274 1.00 0.00 H new ATOM 0 HB2 ALA C 30 112.977 7.392 5.345 1.00 0.00 H new ATOM 0 HB3 ALA C 30 112.499 6.749 3.756 1.00 0.00 H new ATOM 222 N ILE C 31 115.266 8.040 2.052 1.00 0.00 N ATOM 223 CA ILE C 31 115.833 7.840 0.713 1.00 0.00 C ATOM 224 C ILE C 31 116.135 6.368 0.482 1.00 0.00 C ATOM 225 O ILE C 31 116.733 5.710 1.337 1.00 0.00 O ATOM 226 CB ILE C 31 117.138 8.647 0.539 1.00 0.00 C ATOM 227 CG1 ILE C 31 116.882 10.135 0.828 1.00 0.00 C ATOM 228 CG2 ILE C 31 117.643 8.489 -0.901 1.00 0.00 C ATOM 229 CD1 ILE C 31 118.167 10.953 0.613 1.00 0.00 C ATOM 0 H ILE C 31 115.910 7.836 2.816 1.00 0.00 H new ATOM 0 HA ILE C 31 115.097 8.186 -0.012 1.00 0.00 H new ATOM 0 HB ILE C 31 117.886 8.272 1.238 1.00 0.00 H new ATOM 0 HG12 ILE C 31 116.093 10.508 0.175 1.00 0.00 H new ATOM 0 HG13 ILE C 31 116.533 10.258 1.853 1.00 0.00 H new ATOM 0 HG21 ILE C 31 118.564 9.057 -1.028 1.00 0.00 H new ATOM 0 HG22 ILE C 31 117.835 7.436 -1.106 1.00 0.00 H new ATOM 0 HG23 ILE C 31 116.889 8.861 -1.594 1.00 0.00 H new ATOM 0 HD11 ILE C 31 117.968 12.004 0.822 1.00 0.00 H new ATOM 0 HD12 ILE C 31 118.946 10.591 1.284 1.00 0.00 H new ATOM 0 HD13 ILE C 31 118.499 10.845 -0.420 1.00 0.00 H new ATOM 241 N ILE C 32 115.741 5.871 -0.691 1.00 0.00 N ATOM 242 CA ILE C 32 115.990 4.485 -1.050 1.00 0.00 C ATOM 243 C ILE C 32 117.396 4.349 -1.618 1.00 0.00 C ATOM 244 O ILE C 32 117.715 4.907 -2.674 1.00 0.00 O ATOM 245 CB ILE C 32 114.938 3.986 -2.075 1.00 0.00 C ATOM 246 CG1 ILE C 32 113.714 3.424 -1.327 1.00 0.00 C ATOM 247 CG2 ILE C 32 115.524 2.897 -2.997 1.00 0.00 C ATOM 248 CD1 ILE C 32 114.067 2.098 -0.623 1.00 0.00 C ATOM 0 H ILE C 32 115.250 6.411 -1.404 1.00 0.00 H new ATOM 0 HA ILE C 32 115.906 3.868 -0.155 1.00 0.00 H new ATOM 0 HB ILE C 32 114.640 4.832 -2.695 1.00 0.00 H new ATOM 0 HG12 ILE C 32 113.366 4.150 -0.592 1.00 0.00 H new ATOM 0 HG13 ILE C 32 112.896 3.262 -2.028 1.00 0.00 H new ATOM 0 HG21 ILE C 32 114.761 2.569 -3.703 1.00 0.00 H new ATOM 0 HG22 ILE C 32 116.375 3.303 -3.544 1.00 0.00 H new ATOM 0 HG23 ILE C 32 115.851 2.048 -2.396 1.00 0.00 H new ATOM 0 HD11 ILE C 32 113.189 1.718 -0.101 1.00 0.00 H new ATOM 0 HD12 ILE C 32 114.392 1.368 -1.364 1.00 0.00 H new ATOM 0 HD13 ILE C 32 114.870 2.269 0.094 1.00 0.00 H new ATOM 260 N GLY C 33 118.207 3.571 -0.915 1.00 0.00 N ATOM 261 CA GLY C 33 119.573 3.292 -1.324 1.00 0.00 C ATOM 262 C GLY C 33 119.838 1.811 -1.147 1.00 0.00 C ATOM 263 O GLY C 33 119.252 1.174 -0.270 1.00 0.00 O ATOM 0 H GLY C 33 117.934 3.116 -0.044 1.00 0.00 H new ATOM 0 HA2 GLY C 33 119.723 3.581 -2.364 1.00 0.00 H new ATOM 0 HA3 GLY C 33 120.273 3.876 -0.727 1.00 0.00 H new ATOM 267 N LEU C 34 120.706 1.262 -1.982 1.00 0.00 N ATOM 268 CA LEU C 34 121.034 -0.162 -1.904 1.00 0.00 C ATOM 269 C LEU C 34 122.529 -0.365 -1.826 1.00 0.00 C ATOM 270 O LEU C 34 123.312 0.430 -2.338 1.00 0.00 O ATOM 271 CB LEU C 34 120.486 -0.933 -3.110 1.00 0.00 C ATOM 272 CG LEU C 34 120.741 -0.138 -4.388 1.00 0.00 C ATOM 273 CD1 LEU C 34 121.268 -1.095 -5.458 1.00 0.00 C ATOM 274 CD2 LEU C 34 119.436 0.547 -4.838 1.00 0.00 C ATOM 0 H LEU C 34 121.195 1.772 -2.718 1.00 0.00 H new ATOM 0 HA LEU C 34 120.566 -0.548 -0.998 1.00 0.00 H new ATOM 0 HB2 LEU C 34 120.964 -1.910 -3.177 1.00 0.00 H new ATOM 0 HB3 LEU C 34 119.417 -1.109 -2.987 1.00 0.00 H new ATOM 0 HG LEU C 34 121.484 0.641 -4.217 1.00 0.00 H new ATOM 0 HD11 LEU C 34 121.456 -0.543 -6.379 1.00 0.00 H new ATOM 0 HD12 LEU C 34 122.196 -1.551 -5.113 1.00 0.00 H new ATOM 0 HD13 LEU C 34 120.529 -1.874 -5.646 1.00 0.00 H new ATOM 0 HD21 LEU C 34 119.619 1.114 -5.751 1.00 0.00 H new ATOM 0 HD22 LEU C 34 118.675 -0.210 -5.028 1.00 0.00 H new ATOM 0 HD23 LEU C 34 119.090 1.221 -4.055 1.00 0.00 H new ATOM 286 N MET C 35 122.893 -1.455 -1.185 1.00 0.00 N ATOM 287 CA MET C 35 124.292 -1.830 -1.017 1.00 0.00 C ATOM 288 C MET C 35 124.671 -2.823 -2.100 1.00 0.00 C ATOM 289 O MET C 35 123.850 -3.650 -2.495 1.00 0.00 O ATOM 290 CB MET C 35 124.497 -2.446 0.378 1.00 0.00 C ATOM 291 CG MET C 35 125.875 -3.122 0.501 1.00 0.00 C ATOM 292 SD MET C 35 126.948 -2.093 1.512 1.00 0.00 S ATOM 293 CE MET C 35 126.464 -2.841 3.072 1.00 0.00 C ATOM 0 H MET C 35 122.233 -2.109 -0.764 1.00 0.00 H new ATOM 0 HA MET C 35 124.929 -0.949 -1.103 1.00 0.00 H new ATOM 0 HB2 MET C 35 124.403 -1.669 1.137 1.00 0.00 H new ATOM 0 HB3 MET C 35 123.713 -3.178 0.572 1.00 0.00 H new ATOM 0 HG2 MET C 35 125.770 -4.110 0.949 1.00 0.00 H new ATOM 0 HG3 MET C 35 126.313 -3.265 -0.487 1.00 0.00 H new ATOM 0 HE1 MET C 35 126.217 -2.059 3.789 1.00 0.00 H new ATOM 0 HE2 MET C 35 125.593 -3.478 2.915 1.00 0.00 H new ATOM 0 HE3 MET C 35 127.288 -3.441 3.459 1.00 0.00 H new ATOM 303 N VAL C 36 125.915 -2.725 -2.574 1.00 0.00 N ATOM 304 CA VAL C 36 126.399 -3.616 -3.625 1.00 0.00 C ATOM 305 C VAL C 36 127.688 -4.341 -3.219 1.00 0.00 C ATOM 306 O VAL C 36 128.766 -3.738 -3.162 1.00 0.00 O ATOM 307 CB VAL C 36 126.683 -2.805 -4.908 1.00 0.00 C ATOM 308 CG1 VAL C 36 126.901 -3.755 -6.092 1.00 0.00 C ATOM 309 CG2 VAL C 36 125.516 -1.855 -5.220 1.00 0.00 C ATOM 0 H VAL C 36 126.599 -2.042 -2.248 1.00 0.00 H new ATOM 0 HA VAL C 36 125.621 -4.360 -3.797 1.00 0.00 H new ATOM 0 HB VAL C 36 127.584 -2.213 -4.746 1.00 0.00 H new ATOM 0 HG11 VAL C 36 127.101 -3.174 -6.993 1.00 0.00 H new ATOM 0 HG12 VAL C 36 127.750 -4.406 -5.884 1.00 0.00 H new ATOM 0 HG13 VAL C 36 126.007 -4.361 -6.242 1.00 0.00 H new ATOM 0 HG21 VAL C 36 125.737 -1.293 -6.128 1.00 0.00 H new ATOM 0 HG22 VAL C 36 124.604 -2.434 -5.364 1.00 0.00 H new ATOM 0 HG23 VAL C 36 125.378 -1.163 -4.389 1.00 0.00 H new ATOM 319 N GLY C 37 127.568 -5.653 -3.018 1.00 0.00 N ATOM 320 CA GLY C 37 128.706 -6.506 -2.715 1.00 0.00 C ATOM 321 C GLY C 37 129.276 -6.363 -1.307 1.00 0.00 C ATOM 322 O GLY C 37 129.512 -5.260 -0.821 1.00 0.00 O ATOM 0 H GLY C 37 126.678 -6.150 -3.062 1.00 0.00 H new ATOM 0 HA2 GLY C 37 128.410 -7.544 -2.865 1.00 0.00 H new ATOM 0 HA3 GLY C 37 129.499 -6.294 -3.433 1.00 0.00 H new ATOM 326 N GLY C 38 129.540 -7.524 -0.697 1.00 0.00 N ATOM 327 CA GLY C 38 130.149 -7.611 0.636 1.00 0.00 C ATOM 328 C GLY C 38 129.462 -6.730 1.671 1.00 0.00 C ATOM 329 O GLY C 38 128.244 -6.575 1.661 1.00 0.00 O ATOM 0 H GLY C 38 129.337 -8.432 -1.115 1.00 0.00 H new ATOM 0 HA2 GLY C 38 130.120 -8.647 0.974 1.00 0.00 H new ATOM 0 HA3 GLY C 38 131.199 -7.327 0.567 1.00 0.00 H new ATOM 333 N VAL C 39 130.269 -6.172 2.579 1.00 0.00 N ATOM 334 CA VAL C 39 129.755 -5.311 3.647 1.00 0.00 C ATOM 335 C VAL C 39 130.554 -4.005 3.721 1.00 0.00 C ATOM 336 O VAL C 39 131.778 -4.009 3.590 1.00 0.00 O ATOM 337 CB VAL C 39 129.830 -6.051 4.997 1.00 0.00 C ATOM 338 CG1 VAL C 39 129.176 -5.203 6.101 1.00 0.00 C ATOM 339 CG2 VAL C 39 129.102 -7.401 4.889 1.00 0.00 C ATOM 0 H VAL C 39 131.281 -6.302 2.595 1.00 0.00 H new ATOM 0 HA VAL C 39 128.716 -5.067 3.427 1.00 0.00 H new ATOM 0 HB VAL C 39 130.877 -6.221 5.249 1.00 0.00 H new ATOM 0 HG11 VAL C 39 129.234 -5.735 7.051 1.00 0.00 H new ATOM 0 HG12 VAL C 39 129.699 -4.250 6.186 1.00 0.00 H new ATOM 0 HG13 VAL C 39 128.131 -5.022 5.850 1.00 0.00 H new ATOM 0 HG21 VAL C 39 129.157 -7.922 5.845 1.00 0.00 H new ATOM 0 HG22 VAL C 39 128.057 -7.231 4.628 1.00 0.00 H new ATOM 0 HG23 VAL C 39 129.575 -8.009 4.117 1.00 0.00 H new ATOM 349 N VAL C 40 129.849 -2.891 3.942 1.00 0.00 N ATOM 350 CA VAL C 40 130.493 -1.577 4.044 1.00 0.00 C ATOM 351 C VAL C 40 131.123 -1.385 5.434 1.00 0.00 C ATOM 352 O VAL C 40 132.223 -0.857 5.496 1.00 0.00 O ATOM 353 CB VAL C 40 129.463 -0.464 3.752 1.00 0.00 C ATOM 354 CG1 VAL C 40 128.335 -0.480 4.799 1.00 0.00 C ATOM 355 CG2 VAL C 40 130.160 0.911 3.760 1.00 0.00 C ATOM 356 OXT VAL C 40 130.499 -1.765 6.413 1.00 0.00 O ATOM 0 H VAL C 40 128.835 -2.872 4.053 1.00 0.00 H new ATOM 0 HA VAL C 40 131.292 -1.519 3.304 1.00 0.00 H new ATOM 0 HB VAL C 40 129.029 -0.645 2.769 1.00 0.00 H new ATOM 0 HG11 VAL C 40 127.620 0.312 4.575 1.00 0.00 H new ATOM 0 HG12 VAL C 40 127.828 -1.445 4.773 1.00 0.00 H new ATOM 0 HG13 VAL C 40 128.757 -0.318 5.791 1.00 0.00 H new ATOM 0 HG21 VAL C 40 129.428 1.691 3.553 1.00 0.00 H new ATOM 0 HG22 VAL C 40 130.610 1.085 4.737 1.00 0.00 H new ATOM 0 HG23 VAL C 40 130.936 0.930 2.995 1.00 0.00 H new TER 366 VAL C 40 ATOM 367 N GLY E 14 131.853 -2.514 0.568 1.00 0.00 N ATOM 368 CA GLY E 14 130.673 -2.578 -0.295 1.00 0.00 C ATOM 369 C GLY E 14 130.336 -1.222 -0.918 1.00 0.00 C ATOM 370 O GLY E 14 130.285 -0.204 -0.223 1.00 0.00 O ATOM 0 HA2 GLY E 14 130.844 -3.307 -1.087 1.00 0.00 H new ATOM 0 HA3 GLY E 14 129.820 -2.931 0.285 1.00 0.00 H new ATOM 374 N GLU E 15 130.064 -1.235 -2.231 1.00 0.00 N ATOM 375 CA GLU E 15 129.679 -0.021 -2.958 1.00 0.00 C ATOM 376 C GLU E 15 128.204 0.229 -2.709 1.00 0.00 C ATOM 377 O GLU E 15 127.392 -0.654 -2.955 1.00 0.00 O ATOM 378 CB GLU E 15 129.935 -0.209 -4.465 1.00 0.00 C ATOM 379 CG GLU E 15 129.456 1.026 -5.256 1.00 0.00 C ATOM 380 CD GLU E 15 129.675 0.818 -6.759 1.00 0.00 C ATOM 381 OE1 GLU E 15 130.823 0.721 -7.164 1.00 0.00 O ATOM 382 OE2 GLU E 15 128.691 0.764 -7.484 1.00 0.00 O ATOM 0 H GLU E 15 130.104 -2.074 -2.810 1.00 0.00 H new ATOM 0 HA GLU E 15 130.268 0.829 -2.613 1.00 0.00 H new ATOM 0 HB2 GLU E 15 130.998 -0.370 -4.641 1.00 0.00 H new ATOM 0 HB3 GLU E 15 129.415 -1.099 -4.819 1.00 0.00 H new ATOM 0 HG2 GLU E 15 128.399 1.205 -5.058 1.00 0.00 H new ATOM 0 HG3 GLU E 15 129.997 1.911 -4.923 1.00 0.00 H new ATOM 389 N ILE E 16 127.864 1.416 -2.206 1.00 0.00 N ATOM 390 CA ILE E 16 126.468 1.732 -1.905 1.00 0.00 C ATOM 391 C ILE E 16 125.898 2.764 -2.882 1.00 0.00 C ATOM 392 O ILE E 16 126.502 3.807 -3.147 1.00 0.00 O ATOM 393 CB ILE E 16 126.350 2.202 -0.446 1.00 0.00 C ATOM 394 CG1 ILE E 16 126.969 1.124 0.478 1.00 0.00 C ATOM 395 CG2 ILE E 16 124.873 2.391 -0.087 1.00 0.00 C ATOM 396 CD1 ILE E 16 126.701 1.443 1.951 1.00 0.00 C ATOM 0 H ILE E 16 128.526 2.165 -2.001 1.00 0.00 H new ATOM 0 HA ILE E 16 125.870 0.829 -2.029 1.00 0.00 H new ATOM 0 HB ILE E 16 126.876 3.148 -0.319 1.00 0.00 H new ATOM 0 HG12 ILE E 16 126.553 0.147 0.232 1.00 0.00 H new ATOM 0 HG13 ILE E 16 128.044 1.065 0.305 1.00 0.00 H new ATOM 0 HG21 ILE E 16 124.790 2.724 0.947 1.00 0.00 H new ATOM 0 HG22 ILE E 16 124.431 3.139 -0.746 1.00 0.00 H new ATOM 0 HG23 ILE E 16 124.345 1.445 -0.207 1.00 0.00 H new ATOM 0 HD11 ILE E 16 127.146 0.670 2.578 1.00 0.00 H new ATOM 0 HD12 ILE E 16 127.140 2.409 2.200 1.00 0.00 H new ATOM 0 HD13 ILE E 16 125.626 1.477 2.126 1.00 0.00 H new ATOM 408 N VAL E 17 124.728 2.411 -3.423 1.00 0.00 N ATOM 409 CA VAL E 17 124.001 3.219 -4.411 1.00 0.00 C ATOM 410 C VAL E 17 122.744 3.873 -3.816 1.00 0.00 C ATOM 411 O VAL E 17 122.064 3.285 -2.977 1.00 0.00 O ATOM 412 CB VAL E 17 123.589 2.298 -5.580 1.00 0.00 C ATOM 413 CG1 VAL E 17 122.622 3.024 -6.532 1.00 0.00 C ATOM 414 CG2 VAL E 17 124.840 1.860 -6.354 1.00 0.00 C ATOM 0 H VAL E 17 124.250 1.542 -3.184 1.00 0.00 H new ATOM 0 HA VAL E 17 124.657 4.021 -4.748 1.00 0.00 H new ATOM 0 HB VAL E 17 123.082 1.424 -5.171 1.00 0.00 H new ATOM 0 HG11 VAL E 17 122.345 2.356 -7.348 1.00 0.00 H new ATOM 0 HG12 VAL E 17 121.727 3.320 -5.985 1.00 0.00 H new ATOM 0 HG13 VAL E 17 123.109 3.911 -6.938 1.00 0.00 H new ATOM 0 HG21 VAL E 17 124.548 1.210 -7.179 1.00 0.00 H new ATOM 0 HG22 VAL E 17 125.351 2.739 -6.748 1.00 0.00 H new ATOM 0 HG23 VAL E 17 125.511 1.320 -5.686 1.00 0.00 H new ATOM 424 N TYR E 18 122.437 5.083 -4.302 1.00 0.00 N ATOM 425 CA TYR E 18 121.243 5.832 -3.881 1.00 0.00 C ATOM 426 C TYR E 18 120.427 6.218 -5.120 1.00 0.00 C ATOM 427 O TYR E 18 120.978 6.776 -6.073 1.00 0.00 O ATOM 428 CB TYR E 18 121.648 7.093 -3.102 1.00 0.00 C ATOM 429 CG TYR E 18 121.939 6.736 -1.669 1.00 0.00 C ATOM 430 CD1 TYR E 18 123.105 6.042 -1.342 1.00 0.00 C ATOM 431 CD2 TYR E 18 121.042 7.111 -0.665 1.00 0.00 C ATOM 432 CE1 TYR E 18 123.374 5.724 -0.012 1.00 0.00 C ATOM 433 CE2 TYR E 18 121.304 6.794 0.664 1.00 0.00 C ATOM 434 CZ TYR E 18 122.476 6.100 0.997 1.00 0.00 C ATOM 435 OH TYR E 18 122.746 5.788 2.314 1.00 0.00 O ATOM 0 H TYR E 18 123.006 5.569 -4.995 1.00 0.00 H new ATOM 0 HA TYR E 18 120.638 5.204 -3.227 1.00 0.00 H new ATOM 0 HB2 TYR E 18 122.527 7.547 -3.559 1.00 0.00 H new ATOM 0 HB3 TYR E 18 120.848 7.832 -3.147 1.00 0.00 H new ATOM 0 HD1 TYR E 18 123.798 5.752 -2.118 1.00 0.00 H new ATOM 0 HD2 TYR E 18 120.142 7.649 -0.922 1.00 0.00 H new ATOM 0 HE1 TYR E 18 124.276 5.187 0.242 1.00 0.00 H new ATOM 0 HE2 TYR E 18 120.607 7.082 1.437 1.00 0.00 H new ATOM 0 HH TYR E 18 122.454 6.524 2.891 1.00 0.00 H new ATOM 445 N LEU E 19 119.117 5.912 -5.103 1.00 0.00 N ATOM 446 CA LEU E 19 118.234 6.226 -6.240 1.00 0.00 C ATOM 447 C LEU E 19 117.017 7.056 -5.781 1.00 0.00 C ATOM 448 O LEU E 19 115.866 6.628 -5.935 1.00 0.00 O ATOM 449 CB LEU E 19 117.753 4.920 -6.908 1.00 0.00 C ATOM 450 CG LEU E 19 118.930 4.174 -7.568 1.00 0.00 C ATOM 451 CD1 LEU E 19 118.563 2.694 -7.753 1.00 0.00 C ATOM 452 CD2 LEU E 19 119.260 4.794 -8.939 1.00 0.00 C ATOM 0 H LEU E 19 118.650 5.452 -4.322 1.00 0.00 H new ATOM 0 HA LEU E 19 118.801 6.816 -6.960 1.00 0.00 H new ATOM 0 HB2 LEU E 19 117.282 4.278 -6.164 1.00 0.00 H new ATOM 0 HB3 LEU E 19 116.995 5.148 -7.658 1.00 0.00 H new ATOM 0 HG LEU E 19 119.804 4.260 -6.922 1.00 0.00 H new ATOM 0 HD11 LEU E 19 119.396 2.168 -8.220 1.00 0.00 H new ATOM 0 HD12 LEU E 19 118.351 2.248 -6.782 1.00 0.00 H new ATOM 0 HD13 LEU E 19 117.682 2.614 -8.389 1.00 0.00 H new ATOM 0 HD21 LEU E 19 120.093 4.255 -9.391 1.00 0.00 H new ATOM 0 HD22 LEU E 19 118.388 4.725 -9.589 1.00 0.00 H new ATOM 0 HD23 LEU E 19 119.533 5.841 -8.809 1.00 0.00 H new ATOM 464 N PRO E 20 117.246 8.241 -5.243 1.00 0.00 N ATOM 465 CA PRO E 20 116.142 9.147 -4.784 1.00 0.00 C ATOM 466 C PRO E 20 115.336 9.688 -5.962 1.00 0.00 C ATOM 467 O PRO E 20 114.176 10.080 -5.813 1.00 0.00 O ATOM 468 CB PRO E 20 116.879 10.294 -4.078 1.00 0.00 C ATOM 469 CG PRO E 20 118.244 10.306 -4.678 1.00 0.00 C ATOM 470 CD PRO E 20 118.570 8.851 -5.013 1.00 0.00 C ATOM 0 HA PRO E 20 115.428 8.631 -4.143 1.00 0.00 H new ATOM 0 HB2 PRO E 20 116.371 11.245 -4.236 1.00 0.00 H new ATOM 0 HB3 PRO E 20 116.923 10.131 -3.001 1.00 0.00 H new ATOM 0 HG2 PRO E 20 118.271 10.928 -5.573 1.00 0.00 H new ATOM 0 HG3 PRO E 20 118.973 10.719 -3.981 1.00 0.00 H new ATOM 0 HD2 PRO E 20 119.205 8.776 -5.896 1.00 0.00 H new ATOM 0 HD3 PRO E 20 119.100 8.361 -4.197 1.00 0.00 H new ATOM 478 N ASN E 21 115.991 9.732 -7.122 1.00 0.00 N ATOM 479 CA ASN E 21 115.387 10.255 -8.341 1.00 0.00 C ATOM 480 C ASN E 21 114.439 9.255 -9.003 1.00 0.00 C ATOM 481 O ASN E 21 113.604 9.655 -9.819 1.00 0.00 O ATOM 482 CB ASN E 21 116.500 10.638 -9.329 1.00 0.00 C ATOM 483 CG ASN E 21 117.391 11.743 -8.747 1.00 0.00 C ATOM 484 OD1 ASN E 21 116.998 12.449 -7.816 1.00 0.00 O ATOM 485 ND2 ASN E 21 118.581 11.934 -9.245 1.00 0.00 N ATOM 0 H ASN E 21 116.951 9.407 -7.240 1.00 0.00 H new ATOM 0 HA ASN E 21 114.794 11.128 -8.067 1.00 0.00 H new ATOM 0 HB2 ASN E 21 117.105 9.761 -9.560 1.00 0.00 H new ATOM 0 HB3 ASN E 21 116.059 10.977 -10.267 1.00 0.00 H new ATOM 0 HD21 ASN E 21 119.182 12.665 -8.864 1.00 0.00 H new ATOM 0 HD22 ASN E 21 118.911 11.352 -10.015 1.00 0.00 H new ATOM 492 N LEU E 22 114.562 7.961 -8.671 1.00 0.00 N ATOM 493 CA LEU E 22 113.698 6.953 -9.276 1.00 0.00 C ATOM 494 C LEU E 22 112.353 6.895 -8.568 1.00 0.00 C ATOM 495 O LEU E 22 112.283 6.845 -7.336 1.00 0.00 O ATOM 496 CB LEU E 22 114.375 5.579 -9.236 1.00 0.00 C ATOM 497 CG LEU E 22 115.289 5.410 -10.461 1.00 0.00 C ATOM 498 CD1 LEU E 22 116.447 6.417 -10.404 1.00 0.00 C ATOM 499 CD2 LEU E 22 115.838 3.975 -10.489 1.00 0.00 C ATOM 0 H LEU E 22 115.239 7.599 -8.000 1.00 0.00 H new ATOM 0 HA LEU E 22 113.526 7.233 -10.315 1.00 0.00 H new ATOM 0 HB2 LEU E 22 114.957 5.477 -8.320 1.00 0.00 H new ATOM 0 HB3 LEU E 22 113.621 4.792 -9.223 1.00 0.00 H new ATOM 0 HG LEU E 22 114.714 5.597 -11.368 1.00 0.00 H new ATOM 0 HD11 LEU E 22 117.086 6.286 -11.277 1.00 0.00 H new ATOM 0 HD12 LEU E 22 116.047 7.431 -10.395 1.00 0.00 H new ATOM 0 HD13 LEU E 22 117.031 6.249 -9.499 1.00 0.00 H new ATOM 0 HD21 LEU E 22 116.487 3.850 -11.356 1.00 0.00 H new ATOM 0 HD22 LEU E 22 116.408 3.786 -9.579 1.00 0.00 H new ATOM 0 HD23 LEU E 22 115.009 3.270 -10.552 1.00 0.00 H new ATOM 511 N ASN E 23 111.293 6.891 -9.371 1.00 0.00 N ATOM 512 CA ASN E 23 109.925 6.828 -8.848 1.00 0.00 C ATOM 513 C ASN E 23 109.641 5.423 -8.295 1.00 0.00 C ATOM 514 O ASN E 23 110.338 4.469 -8.654 1.00 0.00 O ATOM 515 CB ASN E 23 108.912 7.191 -9.948 1.00 0.00 C ATOM 516 CG ASN E 23 109.218 6.434 -11.237 1.00 0.00 C ATOM 517 OD1 ASN E 23 108.673 5.357 -11.468 1.00 0.00 O ATOM 518 ND2 ASN E 23 110.061 6.936 -12.096 1.00 0.00 N ATOM 0 H ASN E 23 111.352 6.931 -10.389 1.00 0.00 H new ATOM 0 HA ASN E 23 109.823 7.551 -8.039 1.00 0.00 H new ATOM 0 HB2 ASN E 23 107.903 6.953 -9.612 1.00 0.00 H new ATOM 0 HB3 ASN E 23 108.941 8.264 -10.136 1.00 0.00 H new ATOM 0 HD21 ASN E 23 110.268 6.435 -12.960 1.00 0.00 H new ATOM 0 HD22 ASN E 23 110.513 7.830 -11.904 1.00 0.00 H new ATOM 525 N PRO E 24 108.654 5.274 -7.425 1.00 0.00 N ATOM 526 CA PRO E 24 108.314 3.946 -6.815 1.00 0.00 C ATOM 527 C PRO E 24 108.107 2.852 -7.863 1.00 0.00 C ATOM 528 O PRO E 24 108.523 1.711 -7.656 1.00 0.00 O ATOM 529 CB PRO E 24 107.020 4.214 -6.037 1.00 0.00 C ATOM 530 CG PRO E 24 107.033 5.678 -5.749 1.00 0.00 C ATOM 531 CD PRO E 24 107.759 6.339 -6.921 1.00 0.00 C ATOM 0 HA PRO E 24 109.124 3.576 -6.186 1.00 0.00 H new ATOM 0 HB2 PRO E 24 106.144 3.936 -6.622 1.00 0.00 H new ATOM 0 HB3 PRO E 24 106.986 3.632 -5.116 1.00 0.00 H new ATOM 0 HG2 PRO E 24 106.018 6.064 -5.652 1.00 0.00 H new ATOM 0 HG3 PRO E 24 107.544 5.885 -4.809 1.00 0.00 H new ATOM 0 HD2 PRO E 24 107.060 6.671 -7.689 1.00 0.00 H new ATOM 0 HD3 PRO E 24 108.321 7.216 -6.600 1.00 0.00 H new ATOM 539 N ASP E 25 107.478 3.209 -8.987 1.00 0.00 N ATOM 540 CA ASP E 25 107.244 2.241 -10.059 1.00 0.00 C ATOM 541 C ASP E 25 108.581 1.766 -10.633 1.00 0.00 C ATOM 542 O ASP E 25 108.773 0.570 -10.871 1.00 0.00 O ATOM 543 CB ASP E 25 106.389 2.869 -11.171 1.00 0.00 C ATOM 544 CG ASP E 25 105.015 3.276 -10.626 1.00 0.00 C ATOM 545 OD1 ASP E 25 104.264 2.392 -10.243 1.00 0.00 O ATOM 546 OD2 ASP E 25 104.734 4.464 -10.602 1.00 0.00 O ATOM 0 H ASP E 25 107.127 4.148 -9.176 1.00 0.00 H new ATOM 0 HA ASP E 25 106.707 1.386 -9.647 1.00 0.00 H new ATOM 0 HB2 ASP E 25 106.898 3.742 -11.580 1.00 0.00 H new ATOM 0 HB3 ASP E 25 106.267 2.159 -11.989 1.00 0.00 H new ATOM 551 N GLN E 26 109.502 2.714 -10.843 1.00 0.00 N ATOM 552 CA GLN E 26 110.815 2.406 -11.376 1.00 0.00 C ATOM 553 C GLN E 26 111.615 1.564 -10.383 1.00 0.00 C ATOM 554 O GLN E 26 112.214 0.554 -10.764 1.00 0.00 O ATOM 555 CB GLN E 26 111.543 3.719 -11.668 1.00 0.00 C ATOM 556 CG GLN E 26 112.702 3.475 -12.637 1.00 0.00 C ATOM 557 CD GLN E 26 112.622 4.457 -13.803 1.00 0.00 C ATOM 558 OE1 GLN E 26 113.456 5.353 -13.927 1.00 0.00 O ATOM 559 NE2 GLN E 26 111.652 4.344 -14.667 1.00 0.00 N ATOM 0 H GLN E 26 109.351 3.704 -10.647 1.00 0.00 H new ATOM 0 HA GLN E 26 110.710 1.828 -12.294 1.00 0.00 H new ATOM 0 HB2 GLN E 26 110.848 4.442 -12.095 1.00 0.00 H new ATOM 0 HB3 GLN E 26 111.919 4.149 -10.740 1.00 0.00 H new ATOM 0 HG2 GLN E 26 113.653 3.592 -12.117 1.00 0.00 H new ATOM 0 HG3 GLN E 26 112.666 2.451 -13.010 1.00 0.00 H new ATOM 0 HE21 GLN E 26 110.961 3.601 -14.564 1.00 0.00 H new ATOM 0 HE22 GLN E 26 111.584 4.999 -15.446 1.00 0.00 H new ATOM 568 N LEU E 27 111.605 1.975 -9.105 1.00 0.00 N ATOM 569 CA LEU E 27 112.322 1.228 -8.063 1.00 0.00 C ATOM 570 C LEU E 27 111.732 -0.176 -7.941 1.00 0.00 C ATOM 571 O LEU E 27 112.465 -1.143 -7.732 1.00 0.00 O ATOM 572 CB LEU E 27 112.248 1.948 -6.701 1.00 0.00 C ATOM 573 CG LEU E 27 112.991 3.300 -6.755 1.00 0.00 C ATOM 574 CD1 LEU E 27 112.821 4.045 -5.422 1.00 0.00 C ATOM 575 CD2 LEU E 27 114.495 3.081 -7.011 1.00 0.00 C ATOM 0 H LEU E 27 111.117 2.807 -8.773 1.00 0.00 H new ATOM 0 HA LEU E 27 113.371 1.164 -8.351 1.00 0.00 H new ATOM 0 HB2 LEU E 27 111.206 2.111 -6.427 1.00 0.00 H new ATOM 0 HB3 LEU E 27 112.686 1.318 -5.927 1.00 0.00 H new ATOM 0 HG LEU E 27 112.567 3.889 -7.568 1.00 0.00 H new ATOM 0 HD11 LEU E 27 113.348 4.998 -5.468 1.00 0.00 H new ATOM 0 HD12 LEU E 27 111.762 4.225 -5.238 1.00 0.00 H new ATOM 0 HD13 LEU E 27 113.232 3.442 -4.613 1.00 0.00 H new ATOM 0 HD21 LEU E 27 115.002 4.045 -7.046 1.00 0.00 H new ATOM 0 HD22 LEU E 27 114.917 2.478 -6.207 1.00 0.00 H new ATOM 0 HD23 LEU E 27 114.631 2.565 -7.961 1.00 0.00 H new ATOM 587 N CYS E 28 110.405 -0.279 -8.096 1.00 0.00 N ATOM 588 CA CYS E 28 109.728 -1.576 -8.027 1.00 0.00 C ATOM 589 C CYS E 28 110.149 -2.443 -9.214 1.00 0.00 C ATOM 590 O CYS E 28 110.423 -3.635 -9.055 1.00 0.00 O ATOM 591 CB CYS E 28 108.204 -1.389 -8.035 1.00 0.00 C ATOM 592 SG CYS E 28 107.650 -0.866 -6.393 1.00 0.00 S ATOM 0 H CYS E 28 109.786 0.513 -8.268 1.00 0.00 H new ATOM 0 HA CYS E 28 110.014 -2.070 -7.098 1.00 0.00 H new ATOM 0 HB2 CYS E 28 107.922 -0.644 -8.780 1.00 0.00 H new ATOM 0 HB3 CYS E 28 107.714 -2.321 -8.316 1.00 0.00 H new ATOM 597 N ALA E 29 110.211 -1.823 -10.401 1.00 0.00 N ATOM 598 CA ALA E 29 110.616 -2.533 -11.617 1.00 0.00 C ATOM 599 C ALA E 29 112.054 -3.021 -11.473 1.00 0.00 C ATOM 600 O ALA E 29 112.376 -4.176 -11.767 1.00 0.00 O ATOM 601 CB ALA E 29 110.525 -1.583 -12.818 1.00 0.00 C ATOM 0 H ALA E 29 109.987 -0.838 -10.542 1.00 0.00 H new ATOM 0 HA ALA E 29 109.955 -3.386 -11.771 1.00 0.00 H new ATOM 0 HB1 ALA E 29 110.826 -2.111 -13.723 1.00 0.00 H new ATOM 0 HB2 ALA E 29 109.499 -1.232 -12.927 1.00 0.00 H new ATOM 0 HB3 ALA E 29 111.185 -0.730 -12.658 1.00 0.00 H new ATOM 607 N PHE E 30 112.899 -2.115 -10.997 1.00 0.00 N ATOM 608 CA PHE E 30 114.309 -2.399 -10.779 1.00 0.00 C ATOM 609 C PHE E 30 114.481 -3.515 -9.748 1.00 0.00 C ATOM 610 O PHE E 30 115.194 -4.479 -9.990 1.00 0.00 O ATOM 611 CB PHE E 30 114.985 -1.103 -10.302 1.00 0.00 C ATOM 612 CG PHE E 30 116.440 -1.334 -9.958 1.00 0.00 C ATOM 613 CD1 PHE E 30 117.382 -1.567 -10.967 1.00 0.00 C ATOM 614 CD2 PHE E 30 116.849 -1.289 -8.618 1.00 0.00 C ATOM 615 CE1 PHE E 30 118.727 -1.754 -10.634 1.00 0.00 C ATOM 616 CE2 PHE E 30 118.192 -1.479 -8.289 1.00 0.00 C ATOM 617 CZ PHE E 30 119.131 -1.710 -9.296 1.00 0.00 C ATOM 0 H PHE E 30 112.625 -1.164 -10.752 1.00 0.00 H new ATOM 0 HA PHE E 30 114.772 -2.741 -11.705 1.00 0.00 H new ATOM 0 HB2 PHE E 30 114.910 -0.344 -11.080 1.00 0.00 H new ATOM 0 HB3 PHE E 30 114.460 -0.717 -9.428 1.00 0.00 H new ATOM 0 HD1 PHE E 30 117.070 -1.602 -12.000 1.00 0.00 H new ATOM 0 HD2 PHE E 30 116.124 -1.107 -7.839 1.00 0.00 H new ATOM 0 HE1 PHE E 30 119.455 -1.933 -11.411 1.00 0.00 H new ATOM 0 HE2 PHE E 30 118.505 -1.447 -7.256 1.00 0.00 H new ATOM 0 HZ PHE E 30 120.171 -1.855 -9.041 1.00 0.00 H new ATOM 627 N ILE E 31 113.821 -3.363 -8.603 1.00 0.00 N ATOM 628 CA ILE E 31 113.899 -4.346 -7.516 1.00 0.00 C ATOM 629 C ILE E 31 113.405 -5.731 -7.947 1.00 0.00 C ATOM 630 O ILE E 31 113.943 -6.746 -7.485 1.00 0.00 O ATOM 631 CB ILE E 31 113.106 -3.795 -6.312 1.00 0.00 C ATOM 632 CG1 ILE E 31 113.947 -2.698 -5.653 1.00 0.00 C ATOM 633 CG2 ILE E 31 112.792 -4.871 -5.261 1.00 0.00 C ATOM 634 CD1 ILE E 31 113.099 -1.920 -4.651 1.00 0.00 C ATOM 0 H ILE E 31 113.221 -2.564 -8.399 1.00 0.00 H new ATOM 0 HA ILE E 31 114.942 -4.490 -7.233 1.00 0.00 H new ATOM 0 HB ILE E 31 112.153 -3.417 -6.683 1.00 0.00 H new ATOM 0 HG12 ILE E 31 114.806 -3.141 -5.148 1.00 0.00 H new ATOM 0 HG13 ILE E 31 114.338 -2.022 -6.413 1.00 0.00 H new ATOM 0 HG21 ILE E 31 112.233 -4.424 -4.439 1.00 0.00 H new ATOM 0 HG22 ILE E 31 112.197 -5.662 -5.717 1.00 0.00 H new ATOM 0 HG23 ILE E 31 113.723 -5.291 -4.881 1.00 0.00 H new ATOM 0 HD11 ILE E 31 113.706 -1.142 -4.187 1.00 0.00 H new ATOM 0 HD12 ILE E 31 112.255 -1.463 -5.167 1.00 0.00 H new ATOM 0 HD13 ILE E 31 112.730 -2.599 -3.882 1.00 0.00 H new ATOM 646 N HIS E 32 112.405 -5.786 -8.832 1.00 0.00 N ATOM 647 CA HIS E 32 111.893 -7.076 -9.296 1.00 0.00 C ATOM 648 C HIS E 32 112.912 -7.718 -10.227 1.00 0.00 C ATOM 649 O HIS E 32 113.249 -8.895 -10.083 1.00 0.00 O ATOM 650 CB HIS E 32 110.547 -6.900 -10.019 1.00 0.00 C ATOM 651 CG HIS E 32 109.423 -6.934 -9.012 1.00 0.00 C ATOM 652 ND1 HIS E 32 108.840 -5.782 -8.511 1.00 0.00 N ATOM 653 CD2 HIS E 32 108.772 -7.979 -8.401 1.00 0.00 C ATOM 654 CE1 HIS E 32 107.884 -6.156 -7.639 1.00 0.00 C ATOM 655 NE2 HIS E 32 107.801 -7.486 -7.535 1.00 0.00 N ATOM 0 H HIS E 32 111.943 -4.970 -9.234 1.00 0.00 H new ATOM 0 HA HIS E 32 111.731 -7.723 -8.434 1.00 0.00 H new ATOM 0 HB2 HIS E 32 110.535 -5.954 -10.561 1.00 0.00 H new ATOM 0 HB3 HIS E 32 110.412 -7.692 -10.756 1.00 0.00 H new ATOM 0 HD1 HIS E 32 109.089 -4.824 -8.758 1.00 0.00 H new ATOM 0 HD2 HIS E 32 108.982 -9.025 -8.568 1.00 0.00 H new ATOM 0 HE1 HIS E 32 107.260 -5.465 -7.091 1.00 0.00 H new ATOM 664 N SER E 33 113.399 -6.922 -11.172 1.00 0.00 N ATOM 665 CA SER E 33 114.388 -7.389 -12.137 1.00 0.00 C ATOM 666 C SER E 33 115.702 -7.744 -11.430 1.00 0.00 C ATOM 667 O SER E 33 116.360 -8.732 -11.762 1.00 0.00 O ATOM 668 CB SER E 33 114.612 -6.279 -13.173 1.00 0.00 C ATOM 669 OG SER E 33 115.523 -5.307 -12.663 1.00 0.00 O ATOM 0 H SER E 33 113.124 -5.947 -11.291 1.00 0.00 H new ATOM 0 HA SER E 33 114.028 -8.290 -12.634 1.00 0.00 H new ATOM 0 HB2 SER E 33 115.004 -6.706 -14.096 1.00 0.00 H new ATOM 0 HB3 SER E 33 113.662 -5.804 -13.419 1.00 0.00 H new ATOM 0 HG SER E 33 115.225 -5.013 -11.777 1.00 0.00 H new ATOM 675 N LEU E 34 116.054 -6.923 -10.444 1.00 0.00 N ATOM 676 CA LEU E 34 117.268 -7.115 -9.656 1.00 0.00 C ATOM 677 C LEU E 34 117.196 -8.439 -8.905 1.00 0.00 C ATOM 678 O LEU E 34 118.179 -9.184 -8.840 1.00 0.00 O ATOM 679 CB LEU E 34 117.405 -5.942 -8.671 1.00 0.00 C ATOM 680 CG LEU E 34 118.706 -6.039 -7.858 1.00 0.00 C ATOM 681 CD1 LEU E 34 119.918 -6.069 -8.809 1.00 0.00 C ATOM 682 CD2 LEU E 34 118.806 -4.818 -6.919 1.00 0.00 C ATOM 0 H LEU E 34 115.507 -6.107 -10.169 1.00 0.00 H new ATOM 0 HA LEU E 34 118.139 -7.143 -10.311 1.00 0.00 H new ATOM 0 HB2 LEU E 34 117.387 -5.000 -9.220 1.00 0.00 H new ATOM 0 HB3 LEU E 34 116.551 -5.933 -7.994 1.00 0.00 H new ATOM 0 HG LEU E 34 118.700 -6.955 -7.268 1.00 0.00 H new ATOM 0 HD11 LEU E 34 120.836 -6.138 -8.226 1.00 0.00 H new ATOM 0 HD12 LEU E 34 119.841 -6.933 -9.469 1.00 0.00 H new ATOM 0 HD13 LEU E 34 119.935 -5.157 -9.406 1.00 0.00 H new ATOM 0 HD21 LEU E 34 119.727 -4.880 -6.339 1.00 0.00 H new ATOM 0 HD22 LEU E 34 118.811 -3.903 -7.511 1.00 0.00 H new ATOM 0 HD23 LEU E 34 117.951 -4.808 -6.243 1.00 0.00 H new ATOM 694 N HIS E 35 116.019 -8.718 -8.343 1.00 0.00 N ATOM 695 CA HIS E 35 115.792 -9.949 -7.590 1.00 0.00 C ATOM 696 C HIS E 35 115.707 -11.163 -8.531 1.00 0.00 C ATOM 697 O HIS E 35 116.334 -12.195 -8.278 1.00 0.00 O ATOM 698 CB HIS E 35 114.490 -9.808 -6.781 1.00 0.00 C ATOM 699 CG HIS E 35 114.295 -11.013 -5.888 1.00 0.00 C ATOM 700 ND1 HIS E 35 115.031 -11.200 -4.727 1.00 0.00 N ATOM 701 CD2 HIS E 35 113.467 -12.104 -5.986 1.00 0.00 C ATOM 702 CE1 HIS E 35 114.634 -12.363 -4.179 1.00 0.00 C ATOM 703 NE2 HIS E 35 113.682 -12.954 -4.906 1.00 0.00 N ATOM 0 H HIS E 35 115.206 -8.104 -8.396 1.00 0.00 H new ATOM 0 HA HIS E 35 116.631 -10.112 -6.913 1.00 0.00 H new ATOM 0 HB2 HIS E 35 114.525 -8.901 -6.177 1.00 0.00 H new ATOM 0 HB3 HIS E 35 113.642 -9.707 -7.458 1.00 0.00 H new ATOM 0 HD2 HIS E 35 112.757 -12.276 -6.781 1.00 0.00 H new ATOM 0 HE1 HIS E 35 115.036 -12.769 -3.263 1.00 0.00 H new ATOM 0 HE2 HIS E 35 113.213 -13.839 -4.711 1.00 0.00 H new ATOM 712 N ASP E 36 114.904 -11.033 -9.591 1.00 0.00 N ATOM 713 CA ASP E 36 114.702 -12.121 -10.556 1.00 0.00 C ATOM 714 C ASP E 36 116.011 -12.544 -11.230 1.00 0.00 C ATOM 715 O ASP E 36 116.221 -13.734 -11.482 1.00 0.00 O ATOM 716 CB ASP E 36 113.690 -11.686 -11.623 1.00 0.00 C ATOM 717 CG ASP E 36 113.258 -12.895 -12.453 1.00 0.00 C ATOM 718 OD1 ASP E 36 112.590 -13.754 -11.903 1.00 0.00 O ATOM 719 OD2 ASP E 36 113.596 -12.944 -13.625 1.00 0.00 O ATOM 0 H ASP E 36 114.381 -10.183 -9.804 1.00 0.00 H new ATOM 0 HA ASP E 36 114.320 -12.981 -10.006 1.00 0.00 H new ATOM 0 HB2 ASP E 36 112.821 -11.230 -11.148 1.00 0.00 H new ATOM 0 HB3 ASP E 36 114.133 -10.929 -12.270 1.00 0.00 H new ATOM 724 N ASP E 37 116.876 -11.566 -11.530 1.00 0.00 N ATOM 725 CA ASP E 37 118.160 -11.840 -12.191 1.00 0.00 C ATOM 726 C ASP E 37 119.337 -11.357 -11.324 1.00 0.00 C ATOM 727 O ASP E 37 119.888 -10.275 -11.562 1.00 0.00 O ATOM 728 CB ASP E 37 118.193 -11.140 -13.560 1.00 0.00 C ATOM 729 CG ASP E 37 117.169 -11.775 -14.501 1.00 0.00 C ATOM 730 OD1 ASP E 37 116.000 -11.450 -14.380 1.00 0.00 O ATOM 731 OD2 ASP E 37 117.571 -12.576 -15.333 1.00 0.00 O ATOM 0 H ASP E 37 116.711 -10.580 -11.326 1.00 0.00 H new ATOM 0 HA ASP E 37 118.259 -12.917 -12.329 1.00 0.00 H new ATOM 0 HB2 ASP E 37 117.978 -10.078 -13.439 1.00 0.00 H new ATOM 0 HB3 ASP E 37 119.191 -11.216 -13.992 1.00 0.00 H new ATOM 736 N PRO E 38 119.736 -12.133 -10.328 1.00 0.00 N ATOM 737 CA PRO E 38 120.872 -11.757 -9.430 1.00 0.00 C ATOM 738 C PRO E 38 122.208 -11.750 -10.177 1.00 0.00 C ATOM 739 O PRO E 38 123.089 -10.943 -9.879 1.00 0.00 O ATOM 740 CB PRO E 38 120.849 -12.823 -8.327 1.00 0.00 C ATOM 741 CG PRO E 38 120.137 -13.995 -8.916 1.00 0.00 C ATOM 742 CD PRO E 38 119.160 -13.441 -9.954 1.00 0.00 C ATOM 0 HA PRO E 38 120.766 -10.747 -9.034 1.00 0.00 H new ATOM 0 HB2 PRO E 38 121.860 -13.092 -8.021 1.00 0.00 H new ATOM 0 HB3 PRO E 38 120.334 -12.457 -7.439 1.00 0.00 H new ATOM 0 HG2 PRO E 38 120.843 -14.684 -9.379 1.00 0.00 H new ATOM 0 HG3 PRO E 38 119.606 -14.553 -8.144 1.00 0.00 H new ATOM 0 HD2 PRO E 38 119.078 -14.102 -10.817 1.00 0.00 H new ATOM 0 HD3 PRO E 38 118.158 -13.332 -9.540 1.00 0.00 H new ATOM 750 N SER E 39 122.338 -12.650 -11.157 1.00 0.00 N ATOM 751 CA SER E 39 123.561 -12.739 -11.959 1.00 0.00 C ATOM 752 C SER E 39 123.787 -11.434 -12.728 1.00 0.00 C ATOM 753 O SER E 39 124.927 -11.002 -12.911 1.00 0.00 O ATOM 754 CB SER E 39 123.461 -13.911 -12.943 1.00 0.00 C ATOM 755 OG SER E 39 124.724 -14.115 -13.570 1.00 0.00 O ATOM 0 H SER E 39 121.616 -13.323 -11.413 1.00 0.00 H new ATOM 0 HA SER E 39 124.405 -12.906 -11.290 1.00 0.00 H new ATOM 0 HB2 SER E 39 123.154 -14.815 -12.418 1.00 0.00 H new ATOM 0 HB3 SER E 39 122.699 -13.704 -13.695 1.00 0.00 H new ATOM 0 HG SER E 39 124.660 -14.865 -14.198 1.00 0.00 H new ATOM 761 N GLN E 40 122.681 -10.823 -13.169 1.00 0.00 N ATOM 762 CA GLN E 40 122.729 -9.562 -13.921 1.00 0.00 C ATOM 763 C GLN E 40 122.584 -8.357 -12.987 1.00 0.00 C ATOM 764 O GLN E 40 122.385 -7.236 -13.455 1.00 0.00 O ATOM 765 CB GLN E 40 121.589 -9.527 -14.956 1.00 0.00 C ATOM 766 CG GLN E 40 121.782 -10.633 -15.995 1.00 0.00 C ATOM 767 CD GLN E 40 120.716 -10.522 -17.085 1.00 0.00 C ATOM 768 OE1 GLN E 40 120.898 -9.795 -18.061 1.00 0.00 O ATOM 769 NE2 GLN E 40 119.606 -11.199 -16.974 1.00 0.00 N ATOM 0 H GLN E 40 121.738 -11.182 -13.018 1.00 0.00 H new ATOM 0 HA GLN E 40 123.695 -9.508 -14.422 1.00 0.00 H new ATOM 0 HB2 GLN E 40 120.629 -9.653 -14.455 1.00 0.00 H new ATOM 0 HB3 GLN E 40 121.566 -8.555 -15.449 1.00 0.00 H new ATOM 0 HG2 GLN E 40 122.775 -10.557 -16.438 1.00 0.00 H new ATOM 0 HG3 GLN E 40 121.721 -11.609 -15.514 1.00 0.00 H new ATOM 0 HE21 GLN E 40 119.455 -11.802 -16.165 1.00 0.00 H new ATOM 0 HE22 GLN E 40 118.889 -11.126 -17.696 1.00 0.00 H new ATOM 778 N SER E 41 122.664 -8.587 -11.669 1.00 0.00 N ATOM 779 CA SER E 41 122.507 -7.502 -10.687 1.00 0.00 C ATOM 780 C SER E 41 123.443 -6.321 -10.959 1.00 0.00 C ATOM 781 O SER E 41 123.027 -5.171 -10.829 1.00 0.00 O ATOM 782 CB SER E 41 122.751 -8.035 -9.274 1.00 0.00 C ATOM 783 OG SER E 41 124.068 -8.557 -9.184 1.00 0.00 O ATOM 0 H SER E 41 122.835 -9.506 -11.260 1.00 0.00 H new ATOM 0 HA SER E 41 121.485 -7.136 -10.779 1.00 0.00 H new ATOM 0 HB2 SER E 41 122.615 -7.237 -8.544 1.00 0.00 H new ATOM 0 HB3 SER E 41 122.024 -8.812 -9.037 1.00 0.00 H new ATOM 0 HG SER E 41 124.064 -9.501 -9.447 1.00 0.00 H new ATOM 789 N ALA E 42 124.689 -6.605 -11.344 1.00 0.00 N ATOM 790 CA ALA E 42 125.652 -5.537 -11.630 1.00 0.00 C ATOM 791 C ALA E 42 125.257 -4.761 -12.889 1.00 0.00 C ATOM 792 O ALA E 42 125.243 -3.526 -12.883 1.00 0.00 O ATOM 793 CB ALA E 42 127.057 -6.123 -11.809 1.00 0.00 C ATOM 0 H ALA E 42 125.052 -7.551 -11.464 1.00 0.00 H new ATOM 0 HA ALA E 42 125.650 -4.850 -10.784 1.00 0.00 H new ATOM 0 HB1 ALA E 42 127.762 -5.319 -12.021 1.00 0.00 H new ATOM 0 HB2 ALA E 42 127.356 -6.637 -10.895 1.00 0.00 H new ATOM 0 HB3 ALA E 42 127.053 -6.830 -12.638 1.00 0.00 H new ATOM 799 N ASN E 43 124.938 -5.494 -13.963 1.00 0.00 N ATOM 800 CA ASN E 43 124.545 -4.862 -15.226 1.00 0.00 C ATOM 801 C ASN E 43 123.260 -4.064 -15.055 1.00 0.00 C ATOM 802 O ASN E 43 123.175 -2.916 -15.492 1.00 0.00 O ATOM 803 CB ASN E 43 124.345 -5.925 -16.317 1.00 0.00 C ATOM 804 CG ASN E 43 125.685 -6.287 -16.944 1.00 0.00 C ATOM 805 OD1 ASN E 43 126.192 -7.393 -16.751 1.00 0.00 O ATOM 806 ND2 ASN E 43 126.290 -5.411 -17.696 1.00 0.00 N ATOM 0 H ASN E 43 124.944 -6.514 -13.983 1.00 0.00 H new ATOM 0 HA ASN E 43 125.345 -4.184 -15.525 1.00 0.00 H new ATOM 0 HB2 ASN E 43 123.882 -6.814 -15.889 1.00 0.00 H new ATOM 0 HB3 ASN E 43 123.666 -5.549 -17.082 1.00 0.00 H new ATOM 0 HD21 ASN E 43 127.186 -5.640 -18.127 1.00 0.00 H new ATOM 0 HD22 ASN E 43 125.868 -4.496 -17.854 1.00 0.00 H new ATOM 813 N LEU E 44 122.270 -4.683 -14.404 1.00 0.00 N ATOM 814 CA LEU E 44 120.977 -4.038 -14.160 1.00 0.00 C ATOM 815 C LEU E 44 121.163 -2.759 -13.353 1.00 0.00 C ATOM 816 O LEU E 44 120.511 -1.746 -13.625 1.00 0.00 O ATOM 817 CB LEU E 44 120.050 -4.998 -13.396 1.00 0.00 C ATOM 818 CG LEU E 44 119.700 -6.210 -14.281 1.00 0.00 C ATOM 819 CD1 LEU E 44 119.157 -7.352 -13.410 1.00 0.00 C ATOM 820 CD2 LEU E 44 118.638 -5.812 -15.317 1.00 0.00 C ATOM 0 H LEU E 44 122.340 -5.632 -14.036 1.00 0.00 H new ATOM 0 HA LEU E 44 120.528 -3.787 -15.121 1.00 0.00 H new ATOM 0 HB2 LEU E 44 120.536 -5.334 -12.480 1.00 0.00 H new ATOM 0 HB3 LEU E 44 119.139 -4.478 -13.100 1.00 0.00 H new ATOM 0 HG LEU E 44 120.601 -6.543 -14.796 1.00 0.00 H new ATOM 0 HD11 LEU E 44 118.911 -8.206 -14.041 1.00 0.00 H new ATOM 0 HD12 LEU E 44 119.913 -7.645 -12.681 1.00 0.00 H new ATOM 0 HD13 LEU E 44 118.261 -7.017 -12.888 1.00 0.00 H new ATOM 0 HD21 LEU E 44 118.396 -6.674 -15.939 1.00 0.00 H new ATOM 0 HD22 LEU E 44 117.739 -5.471 -14.804 1.00 0.00 H new ATOM 0 HD23 LEU E 44 119.025 -5.009 -15.944 1.00 0.00 H new ATOM 832 N LEU E 45 122.072 -2.806 -12.370 1.00 0.00 N ATOM 833 CA LEU E 45 122.345 -1.635 -11.540 1.00 0.00 C ATOM 834 C LEU E 45 122.909 -0.513 -12.398 1.00 0.00 C ATOM 835 O LEU E 45 122.582 0.655 -12.193 1.00 0.00 O ATOM 836 CB LEU E 45 123.344 -1.969 -10.418 1.00 0.00 C ATOM 837 CG LEU E 45 122.901 -1.353 -9.075 1.00 0.00 C ATOM 838 CD1 LEU E 45 124.081 -1.391 -8.101 1.00 0.00 C ATOM 839 CD2 LEU E 45 122.419 0.107 -9.258 1.00 0.00 C ATOM 0 H LEU E 45 122.622 -3.632 -12.135 1.00 0.00 H new ATOM 0 HA LEU E 45 121.406 -1.319 -11.086 1.00 0.00 H new ATOM 0 HB2 LEU E 45 123.430 -3.051 -10.314 1.00 0.00 H new ATOM 0 HB3 LEU E 45 124.332 -1.595 -10.684 1.00 0.00 H new ATOM 0 HG LEU E 45 122.066 -1.933 -8.681 1.00 0.00 H new ATOM 0 HD11 LEU E 45 123.780 -0.958 -7.147 1.00 0.00 H new ATOM 0 HD12 LEU E 45 124.393 -2.424 -7.948 1.00 0.00 H new ATOM 0 HD13 LEU E 45 124.912 -0.818 -8.513 1.00 0.00 H new ATOM 0 HD21 LEU E 45 122.114 0.513 -8.294 1.00 0.00 H new ATOM 0 HD22 LEU E 45 123.231 0.710 -9.665 1.00 0.00 H new ATOM 0 HD23 LEU E 45 121.573 0.127 -9.945 1.00 0.00 H new ATOM 851 N ALA E 46 123.740 -0.882 -13.376 1.00 0.00 N ATOM 852 CA ALA E 46 124.327 0.104 -14.276 1.00 0.00 C ATOM 853 C ALA E 46 123.212 0.926 -14.915 1.00 0.00 C ATOM 854 O ALA E 46 123.358 2.127 -15.128 1.00 0.00 O ATOM 855 CB ALA E 46 125.148 -0.603 -15.365 1.00 0.00 C ATOM 0 H ALA E 46 124.017 -1.846 -13.561 1.00 0.00 H new ATOM 0 HA ALA E 46 124.988 0.763 -13.713 1.00 0.00 H new ATOM 0 HB1 ALA E 46 125.583 0.140 -16.033 1.00 0.00 H new ATOM 0 HB2 ALA E 46 125.945 -1.184 -14.900 1.00 0.00 H new ATOM 0 HB3 ALA E 46 124.500 -1.268 -15.935 1.00 0.00 H new ATOM 861 N GLU E 47 122.091 0.253 -15.189 1.00 0.00 N ATOM 862 CA GLU E 47 120.922 0.895 -15.791 1.00 0.00 C ATOM 863 C GLU E 47 120.229 1.788 -14.790 1.00 0.00 C ATOM 864 O GLU E 47 119.743 2.859 -15.138 1.00 0.00 O ATOM 865 CB GLU E 47 119.906 -0.146 -16.243 1.00 0.00 C ATOM 866 CG GLU E 47 120.620 -1.310 -16.905 1.00 0.00 C ATOM 867 CD GLU E 47 121.453 -0.855 -18.117 1.00 0.00 C ATOM 868 OE1 GLU E 47 120.906 -0.185 -18.983 1.00 0.00 O ATOM 869 OE2 GLU E 47 122.628 -1.187 -18.163 1.00 0.00 O ATOM 0 H GLU E 47 121.970 -0.742 -15.002 1.00 0.00 H new ATOM 0 HA GLU E 47 121.280 1.475 -16.641 1.00 0.00 H new ATOM 0 HB2 GLU E 47 119.330 -0.500 -15.388 1.00 0.00 H new ATOM 0 HB3 GLU E 47 119.198 0.302 -16.941 1.00 0.00 H new ATOM 0 HG2 GLU E 47 121.271 -1.798 -16.179 1.00 0.00 H new ATOM 0 HG3 GLU E 47 119.888 -2.051 -17.225 1.00 0.00 H new ATOM 876 N ALA E 48 120.178 1.342 -13.533 1.00 0.00 N ATOM 877 CA ALA E 48 119.533 2.128 -12.505 1.00 0.00 C ATOM 878 C ALA E 48 120.377 3.357 -12.238 1.00 0.00 C ATOM 879 O ALA E 48 119.856 4.438 -11.985 1.00 0.00 O ATOM 880 CB ALA E 48 119.325 1.317 -11.236 1.00 0.00 C ATOM 0 H ALA E 48 120.571 0.456 -13.216 1.00 0.00 H new ATOM 0 HA ALA E 48 118.544 2.431 -12.848 1.00 0.00 H new ATOM 0 HB1 ALA E 48 118.838 1.937 -10.484 1.00 0.00 H new ATOM 0 HB2 ALA E 48 118.698 0.453 -11.455 1.00 0.00 H new ATOM 0 HB3 ALA E 48 120.290 0.979 -10.858 1.00 0.00 H new ATOM 886 N LYS E 49 121.695 3.183 -12.368 1.00 0.00 N ATOM 887 CA LYS E 49 122.609 4.295 -12.218 1.00 0.00 C ATOM 888 C LYS E 49 122.366 5.230 -13.403 1.00 0.00 C ATOM 889 O LYS E 49 122.352 6.452 -13.253 1.00 0.00 O ATOM 890 CB LYS E 49 124.068 3.811 -12.176 1.00 0.00 C ATOM 891 CG LYS E 49 124.696 4.111 -10.797 1.00 0.00 C ATOM 892 CD LYS E 49 124.376 2.978 -9.812 1.00 0.00 C ATOM 893 CE LYS E 49 125.314 1.784 -10.042 1.00 0.00 C ATOM 894 NZ LYS E 49 126.725 2.180 -9.748 1.00 0.00 N ATOM 0 H LYS E 49 122.140 2.289 -12.575 1.00 0.00 H new ATOM 0 HA LYS E 49 122.434 4.816 -11.277 1.00 0.00 H new ATOM 0 HB2 LYS E 49 124.108 2.740 -12.376 1.00 0.00 H new ATOM 0 HB3 LYS E 49 124.644 4.303 -12.960 1.00 0.00 H new ATOM 0 HG2 LYS E 49 125.776 4.222 -10.897 1.00 0.00 H new ATOM 0 HG3 LYS E 49 124.313 5.056 -10.412 1.00 0.00 H new ATOM 0 HD2 LYS E 49 124.480 3.338 -8.788 1.00 0.00 H new ATOM 0 HD3 LYS E 49 123.340 2.663 -9.935 1.00 0.00 H new ATOM 0 HE2 LYS E 49 125.020 0.951 -9.403 1.00 0.00 H new ATOM 0 HE3 LYS E 49 125.231 1.439 -11.073 1.00 0.00 H new ATOM 0 HZ1 LYS E 49 127.134 1.519 -9.057 1.00 0.00 H new ATOM 0 HZ2 LYS E 49 127.283 2.153 -10.625 1.00 0.00 H new ATOM 0 HZ3 LYS E 49 126.741 3.144 -9.357 1.00 0.00 H new ATOM 908 N LYS E 50 122.089 4.626 -14.579 1.00 0.00 N ATOM 909 CA LYS E 50 121.747 5.411 -15.761 1.00 0.00 C ATOM 910 C LYS E 50 120.447 6.155 -15.457 1.00 0.00 C ATOM 911 O LYS E 50 120.309 7.328 -15.785 1.00 0.00 O ATOM 912 CB LYS E 50 121.571 4.520 -17.011 1.00 0.00 C ATOM 913 CG LYS E 50 122.934 4.083 -17.569 1.00 0.00 C ATOM 914 CD LYS E 50 122.712 3.133 -18.762 1.00 0.00 C ATOM 915 CE LYS E 50 123.897 2.170 -18.908 1.00 0.00 C ATOM 916 NZ LYS E 50 123.491 1.011 -19.757 1.00 0.00 N ATOM 0 H LYS E 50 122.098 3.616 -14.724 1.00 0.00 H new ATOM 0 HA LYS E 50 122.556 6.107 -15.982 1.00 0.00 H new ATOM 0 HB2 LYS E 50 120.979 3.641 -16.756 1.00 0.00 H new ATOM 0 HB3 LYS E 50 121.018 5.065 -17.776 1.00 0.00 H new ATOM 0 HG2 LYS E 50 123.508 4.955 -17.885 1.00 0.00 H new ATOM 0 HG3 LYS E 50 123.514 3.583 -16.794 1.00 0.00 H new ATOM 0 HD2 LYS E 50 121.791 2.567 -18.618 1.00 0.00 H new ATOM 0 HD3 LYS E 50 122.591 3.712 -19.678 1.00 0.00 H new ATOM 0 HE2 LYS E 50 124.746 2.685 -19.358 1.00 0.00 H new ATOM 0 HE3 LYS E 50 124.220 1.821 -17.927 1.00 0.00 H new ATOM 0 HZ1 LYS E 50 123.377 0.167 -19.160 1.00 0.00 H new ATOM 0 HZ2 LYS E 50 122.589 1.225 -20.229 1.00 0.00 H new ATOM 0 HZ3 LYS E 50 124.223 0.832 -20.474 1.00 0.00 H new ATOM 930 N LEU E 51 119.517 5.465 -14.772 1.00 0.00 N ATOM 931 CA LEU E 51 118.257 6.091 -14.379 1.00 0.00 C ATOM 932 C LEU E 51 118.531 7.186 -13.383 1.00 0.00 C ATOM 933 O LEU E 51 117.877 8.225 -13.402 1.00 0.00 O ATOM 934 CB LEU E 51 117.284 5.093 -13.726 1.00 0.00 C ATOM 935 CG LEU E 51 116.691 4.133 -14.759 1.00 0.00 C ATOM 936 CD1 LEU E 51 115.606 3.280 -14.084 1.00 0.00 C ATOM 937 CD2 LEU E 51 116.078 4.944 -15.923 1.00 0.00 C ATOM 0 H LEU E 51 119.618 4.491 -14.487 1.00 0.00 H new ATOM 0 HA LEU E 51 117.798 6.480 -15.288 1.00 0.00 H new ATOM 0 HB2 LEU E 51 117.806 4.524 -12.956 1.00 0.00 H new ATOM 0 HB3 LEU E 51 116.481 5.638 -13.230 1.00 0.00 H new ATOM 0 HG LEU E 51 117.471 3.482 -15.153 1.00 0.00 H new ATOM 0 HD11 LEU E 51 115.178 2.592 -14.813 1.00 0.00 H new ATOM 0 HD12 LEU E 51 116.047 2.712 -13.265 1.00 0.00 H new ATOM 0 HD13 LEU E 51 114.823 3.930 -13.694 1.00 0.00 H new ATOM 0 HD21 LEU E 51 115.655 4.261 -16.660 1.00 0.00 H new ATOM 0 HD22 LEU E 51 115.293 5.595 -15.539 1.00 0.00 H new ATOM 0 HD23 LEU E 51 116.853 5.549 -16.393 1.00 0.00 H new ATOM 949 N ASN E 52 119.500 6.940 -12.499 1.00 0.00 N ATOM 950 CA ASN E 52 119.853 7.916 -11.487 1.00 0.00 C ATOM 951 C ASN E 52 120.196 9.236 -12.180 1.00 0.00 C ATOM 952 O ASN E 52 119.838 10.318 -11.706 1.00 0.00 O ATOM 953 CB ASN E 52 121.041 7.408 -10.638 1.00 0.00 C ATOM 954 CG ASN E 52 121.294 8.359 -9.470 1.00 0.00 C ATOM 955 OD1 ASN E 52 122.413 8.843 -9.291 1.00 0.00 O ATOM 956 ND2 ASN E 52 120.317 8.668 -8.666 1.00 0.00 N ATOM 0 H ASN E 52 120.045 6.079 -12.469 1.00 0.00 H new ATOM 0 HA ASN E 52 119.012 8.072 -10.811 1.00 0.00 H new ATOM 0 HB2 ASN E 52 120.829 6.407 -10.263 1.00 0.00 H new ATOM 0 HB3 ASN E 52 121.935 7.333 -11.257 1.00 0.00 H new ATOM 0 HD21 ASN E 52 120.479 9.310 -7.890 1.00 0.00 H new ATOM 0 HD22 ASN E 52 119.390 8.268 -8.813 1.00 0.00 H new ATOM 963 N ASP E 53 120.858 9.106 -13.336 1.00 0.00 N ATOM 964 CA ASP E 53 121.232 10.247 -14.165 1.00 0.00 C ATOM 965 C ASP E 53 120.056 10.689 -15.053 1.00 0.00 C ATOM 966 O ASP E 53 119.870 11.881 -15.308 1.00 0.00 O ATOM 967 CB ASP E 53 122.432 9.873 -15.056 1.00 0.00 C ATOM 968 CG ASP E 53 123.668 9.562 -14.201 1.00 0.00 C ATOM 969 OD1 ASP E 53 124.098 10.440 -13.466 1.00 0.00 O ATOM 970 OD2 ASP E 53 124.174 8.456 -14.303 1.00 0.00 O ATOM 0 H ASP E 53 121.147 8.206 -13.719 1.00 0.00 H new ATOM 0 HA ASP E 53 121.503 11.073 -13.507 1.00 0.00 H new ATOM 0 HB2 ASP E 53 122.180 9.007 -15.668 1.00 0.00 H new ATOM 0 HB3 ASP E 53 122.653 10.693 -15.739 1.00 0.00 H new ATOM 975 N ALA E 54 119.292 9.701 -15.543 1.00 0.00 N ATOM 976 CA ALA E 54 118.149 9.956 -16.441 1.00 0.00 C ATOM 977 C ALA E 54 116.975 10.611 -15.715 1.00 0.00 C ATOM 978 O ALA E 54 116.165 11.307 -16.334 1.00 0.00 O ATOM 979 CB ALA E 54 117.674 8.643 -17.070 1.00 0.00 C ATOM 0 H ALA E 54 119.444 8.714 -15.333 1.00 0.00 H new ATOM 0 HA ALA E 54 118.497 10.644 -17.211 1.00 0.00 H new ATOM 0 HB1 ALA E 54 116.830 8.841 -17.731 1.00 0.00 H new ATOM 0 HB2 ALA E 54 118.488 8.199 -17.643 1.00 0.00 H new ATOM 0 HB3 ALA E 54 117.365 7.954 -16.284 1.00 0.00 H new ATOM 985 N GLN E 55 116.891 10.370 -14.411 1.00 0.00 N ATOM 986 CA GLN E 55 115.815 10.914 -13.578 1.00 0.00 C ATOM 987 C GLN E 55 116.342 12.086 -12.752 1.00 0.00 C ATOM 988 O GLN E 55 115.608 12.700 -11.971 1.00 0.00 O ATOM 989 CB GLN E 55 115.288 9.818 -12.637 1.00 0.00 C ATOM 990 CG GLN E 55 114.783 8.610 -13.446 1.00 0.00 C ATOM 991 CD GLN E 55 113.320 8.806 -13.847 1.00 0.00 C ATOM 992 OE1 GLN E 55 112.984 9.764 -14.542 1.00 0.00 O ATOM 993 NE2 GLN E 55 112.428 7.943 -13.447 1.00 0.00 N ATOM 0 H GLN E 55 117.561 9.795 -13.900 1.00 0.00 H new ATOM 0 HA GLN E 55 115.006 11.262 -14.220 1.00 0.00 H new ATOM 0 HB2 GLN E 55 116.080 9.503 -11.957 1.00 0.00 H new ATOM 0 HB3 GLN E 55 114.480 10.215 -12.023 1.00 0.00 H new ATOM 0 HG2 GLN E 55 115.396 8.480 -14.338 1.00 0.00 H new ATOM 0 HG3 GLN E 55 114.885 7.700 -12.854 1.00 0.00 H new ATOM 0 HE21 GLN E 55 112.709 7.149 -12.871 1.00 0.00 H new ATOM 0 HE22 GLN E 55 111.450 8.062 -13.710 1.00 0.00 H new ATOM 1002 N ALA E 56 117.637 12.354 -12.926 1.00 0.00 N ATOM 1003 CA ALA E 56 118.346 13.395 -12.217 1.00 0.00 C ATOM 1004 C ALA E 56 117.640 14.749 -12.282 1.00 0.00 C ATOM 1005 O ALA E 56 116.949 15.063 -13.255 1.00 0.00 O ATOM 1006 CB ALA E 56 119.749 13.506 -12.802 1.00 0.00 C ATOM 0 H ALA E 56 118.225 11.837 -13.579 1.00 0.00 H new ATOM 0 HA ALA E 56 118.383 13.121 -11.163 1.00 0.00 H new ATOM 0 HB1 ALA E 56 120.300 14.288 -12.279 1.00 0.00 H new ATOM 0 HB2 ALA E 56 120.268 12.555 -12.685 1.00 0.00 H new ATOM 0 HB3 ALA E 56 119.683 13.755 -13.861 1.00 0.00 H new TER 1012 ALA E 56 ATOM 1013 N GLY F 14 120.238 10.557 9.069 1.00 0.00 N ATOM 1014 CA GLY F 14 119.337 10.035 10.099 1.00 0.00 C ATOM 1015 C GLY F 14 119.497 8.532 10.266 1.00 0.00 C ATOM 1016 O GLY F 14 120.492 7.948 9.833 1.00 0.00 O ATOM 0 HA2 GLY F 14 119.540 10.532 11.048 1.00 0.00 H new ATOM 0 HA3 GLY F 14 118.305 10.265 9.833 1.00 0.00 H new ATOM 1020 N GLU F 15 118.498 7.919 10.898 1.00 0.00 N ATOM 1021 CA GLU F 15 118.508 6.486 11.127 1.00 0.00 C ATOM 1022 C GLU F 15 118.403 5.753 9.803 1.00 0.00 C ATOM 1023 O GLU F 15 117.726 6.213 8.882 1.00 0.00 O ATOM 1024 CB GLU F 15 117.326 6.081 12.004 1.00 0.00 C ATOM 1025 CG GLU F 15 117.543 4.661 12.529 1.00 0.00 C ATOM 1026 CD GLU F 15 116.365 4.226 13.406 1.00 0.00 C ATOM 1027 OE1 GLU F 15 115.272 4.091 12.877 1.00 0.00 O ATOM 1028 OE2 GLU F 15 116.571 4.035 14.595 1.00 0.00 O ATOM 0 H GLU F 15 117.673 8.398 11.259 1.00 0.00 H new ATOM 0 HA GLU F 15 119.440 6.224 11.627 1.00 0.00 H new ATOM 0 HB2 GLU F 15 117.223 6.776 12.837 1.00 0.00 H new ATOM 0 HB3 GLU F 15 116.400 6.131 11.431 1.00 0.00 H new ATOM 0 HG2 GLU F 15 117.655 3.971 11.693 1.00 0.00 H new ATOM 0 HG3 GLU F 15 118.468 4.617 13.104 1.00 0.00 H new ATOM 1035 N ILE F 16 119.068 4.612 9.726 1.00 0.00 N ATOM 1036 CA ILE F 16 119.053 3.797 8.521 1.00 0.00 C ATOM 1037 C ILE F 16 118.432 2.432 8.810 1.00 0.00 C ATOM 1038 O ILE F 16 118.612 1.873 9.896 1.00 0.00 O ATOM 1039 CB ILE F 16 120.475 3.626 8.000 1.00 0.00 C ATOM 1040 CG1 ILE F 16 121.077 4.998 7.637 1.00 0.00 C ATOM 1041 CG2 ILE F 16 120.452 2.722 6.760 1.00 0.00 C ATOM 1042 CD1 ILE F 16 122.557 4.841 7.260 1.00 0.00 C ATOM 0 H ILE F 16 119.628 4.227 10.487 1.00 0.00 H new ATOM 0 HA ILE F 16 118.451 4.297 7.763 1.00 0.00 H new ATOM 0 HB ILE F 16 121.091 3.170 8.775 1.00 0.00 H new ATOM 0 HG12 ILE F 16 120.526 5.437 6.805 1.00 0.00 H new ATOM 0 HG13 ILE F 16 120.979 5.682 8.480 1.00 0.00 H new ATOM 0 HG21 ILE F 16 121.467 2.596 6.383 1.00 0.00 H new ATOM 0 HG22 ILE F 16 120.041 1.749 7.027 1.00 0.00 H new ATOM 0 HG23 ILE F 16 119.832 3.179 5.988 1.00 0.00 H new ATOM 0 HD11 ILE F 16 122.973 5.816 7.005 1.00 0.00 H new ATOM 0 HD12 ILE F 16 123.105 4.422 8.104 1.00 0.00 H new ATOM 0 HD13 ILE F 16 122.645 4.174 6.403 1.00 0.00 H new ATOM 1054 N VAL F 17 117.695 1.921 7.825 1.00 0.00 N ATOM 1055 CA VAL F 17 117.013 0.632 7.936 1.00 0.00 C ATOM 1056 C VAL F 17 117.334 -0.253 6.728 1.00 0.00 C ATOM 1057 O VAL F 17 117.026 0.118 5.597 1.00 0.00 O ATOM 1058 CB VAL F 17 115.505 0.918 8.008 1.00 0.00 C ATOM 1059 CG1 VAL F 17 114.678 -0.348 7.721 1.00 0.00 C ATOM 1060 CG2 VAL F 17 115.155 1.457 9.404 1.00 0.00 C ATOM 0 H VAL F 17 117.554 2.388 6.929 1.00 0.00 H new ATOM 0 HA VAL F 17 117.346 0.099 8.827 1.00 0.00 H new ATOM 0 HB VAL F 17 115.261 1.660 7.247 1.00 0.00 H new ATOM 0 HG11 VAL F 17 113.616 -0.110 7.780 1.00 0.00 H new ATOM 0 HG12 VAL F 17 114.912 -0.717 6.722 1.00 0.00 H new ATOM 0 HG13 VAL F 17 114.919 -1.115 8.457 1.00 0.00 H new ATOM 0 HG21 VAL F 17 114.086 1.661 9.458 1.00 0.00 H new ATOM 0 HG22 VAL F 17 115.422 0.716 10.158 1.00 0.00 H new ATOM 0 HG23 VAL F 17 115.709 2.377 9.588 1.00 0.00 H new ATOM 1070 N TYR F 18 117.932 -1.428 6.984 1.00 0.00 N ATOM 1071 CA TYR F 18 118.280 -2.373 5.913 1.00 0.00 C ATOM 1072 C TYR F 18 117.226 -3.468 5.797 1.00 0.00 C ATOM 1073 O TYR F 18 116.730 -3.975 6.808 1.00 0.00 O ATOM 1074 CB TYR F 18 119.669 -3.000 6.176 1.00 0.00 C ATOM 1075 CG TYR F 18 120.741 -2.171 5.489 1.00 0.00 C ATOM 1076 CD1 TYR F 18 120.829 -0.800 5.750 1.00 0.00 C ATOM 1077 CD2 TYR F 18 121.630 -2.763 4.573 1.00 0.00 C ATOM 1078 CE1 TYR F 18 121.793 -0.024 5.106 1.00 0.00 C ATOM 1079 CE2 TYR F 18 122.594 -1.982 3.931 1.00 0.00 C ATOM 1080 CZ TYR F 18 122.675 -0.612 4.195 1.00 0.00 C ATOM 1081 OH TYR F 18 123.627 0.159 3.561 1.00 0.00 O ATOM 0 H TYR F 18 118.183 -1.745 7.920 1.00 0.00 H new ATOM 0 HA TYR F 18 118.314 -1.823 4.973 1.00 0.00 H new ATOM 0 HB2 TYR F 18 119.862 -3.045 7.248 1.00 0.00 H new ATOM 0 HB3 TYR F 18 119.693 -4.024 5.804 1.00 0.00 H new ATOM 0 HD1 TYR F 18 120.149 -0.341 6.452 1.00 0.00 H new ATOM 0 HD2 TYR F 18 121.567 -3.821 4.366 1.00 0.00 H new ATOM 0 HE1 TYR F 18 121.858 1.034 5.312 1.00 0.00 H new ATOM 0 HE2 TYR F 18 123.278 -2.437 3.230 1.00 0.00 H new ATOM 0 HH TYR F 18 123.252 0.526 2.733 1.00 0.00 H new ATOM 1091 N LEU F 19 116.891 -3.819 4.546 1.00 0.00 N ATOM 1092 CA LEU F 19 115.881 -4.858 4.274 1.00 0.00 C ATOM 1093 C LEU F 19 116.517 -6.068 3.546 1.00 0.00 C ATOM 1094 O LEU F 19 116.281 -6.273 2.350 1.00 0.00 O ATOM 1095 CB LEU F 19 114.734 -4.282 3.400 1.00 0.00 C ATOM 1096 CG LEU F 19 113.880 -3.210 4.132 1.00 0.00 C ATOM 1097 CD1 LEU F 19 113.566 -3.614 5.584 1.00 0.00 C ATOM 1098 CD2 LEU F 19 114.593 -1.850 4.109 1.00 0.00 C ATOM 0 H LEU F 19 117.301 -3.403 3.710 1.00 0.00 H new ATOM 0 HA LEU F 19 115.478 -5.190 5.231 1.00 0.00 H new ATOM 0 HB2 LEU F 19 115.160 -3.843 2.498 1.00 0.00 H new ATOM 0 HB3 LEU F 19 114.085 -5.098 3.082 1.00 0.00 H new ATOM 0 HG LEU F 19 112.933 -3.132 3.598 1.00 0.00 H new ATOM 0 HD11 LEU F 19 112.967 -2.835 6.057 1.00 0.00 H new ATOM 0 HD12 LEU F 19 113.011 -4.552 5.589 1.00 0.00 H new ATOM 0 HD13 LEU F 19 114.497 -3.741 6.136 1.00 0.00 H new ATOM 0 HD21 LEU F 19 113.982 -1.110 4.626 1.00 0.00 H new ATOM 0 HD22 LEU F 19 115.558 -1.937 4.609 1.00 0.00 H new ATOM 0 HD23 LEU F 19 114.746 -1.537 3.076 1.00 0.00 H new ATOM 1110 N PRO F 20 117.309 -6.873 4.240 1.00 0.00 N ATOM 1111 CA PRO F 20 117.968 -8.078 3.639 1.00 0.00 C ATOM 1112 C PRO F 20 117.030 -9.288 3.522 1.00 0.00 C ATOM 1113 O PRO F 20 116.883 -9.862 2.440 1.00 0.00 O ATOM 1114 CB PRO F 20 119.114 -8.370 4.610 1.00 0.00 C ATOM 1115 CG PRO F 20 118.630 -7.894 5.938 1.00 0.00 C ATOM 1116 CD PRO F 20 117.679 -6.724 5.664 1.00 0.00 C ATOM 0 HA PRO F 20 118.290 -7.891 2.615 1.00 0.00 H new ATOM 0 HB2 PRO F 20 119.348 -9.434 4.634 1.00 0.00 H new ATOM 0 HB3 PRO F 20 120.025 -7.850 4.313 1.00 0.00 H new ATOM 0 HG2 PRO F 20 118.117 -8.693 6.473 1.00 0.00 H new ATOM 0 HG3 PRO F 20 119.464 -7.577 6.563 1.00 0.00 H new ATOM 0 HD2 PRO F 20 116.801 -6.767 6.309 1.00 0.00 H new ATOM 0 HD3 PRO F 20 118.165 -5.766 5.850 1.00 0.00 H new ATOM 1124 N ASN F 21 116.424 -9.683 4.650 1.00 0.00 N ATOM 1125 CA ASN F 21 115.525 -10.850 4.684 1.00 0.00 C ATOM 1126 C ASN F 21 114.089 -10.493 4.273 1.00 0.00 C ATOM 1127 O ASN F 21 113.191 -11.340 4.344 1.00 0.00 O ATOM 1128 CB ASN F 21 115.518 -11.451 6.099 1.00 0.00 C ATOM 1129 CG ASN F 21 116.918 -11.930 6.496 1.00 0.00 C ATOM 1130 OD1 ASN F 21 117.718 -12.323 5.646 1.00 0.00 O ATOM 1131 ND2 ASN F 21 117.257 -11.924 7.755 1.00 0.00 N ATOM 0 H ASN F 21 116.538 -9.215 5.549 1.00 0.00 H new ATOM 0 HA ASN F 21 115.902 -11.575 3.963 1.00 0.00 H new ATOM 0 HB2 ASN F 21 115.168 -10.706 6.813 1.00 0.00 H new ATOM 0 HB3 ASN F 21 114.818 -12.286 6.141 1.00 0.00 H new ATOM 0 HD21 ASN F 21 118.184 -12.245 8.035 1.00 0.00 H new ATOM 0 HD22 ASN F 21 116.595 -11.599 8.460 1.00 0.00 H new ATOM 1138 N LEU F 22 113.880 -9.251 3.837 1.00 0.00 N ATOM 1139 CA LEU F 22 112.552 -8.801 3.411 1.00 0.00 C ATOM 1140 C LEU F 22 112.214 -9.388 2.035 1.00 0.00 C ATOM 1141 O LEU F 22 113.121 -9.729 1.270 1.00 0.00 O ATOM 1142 CB LEU F 22 112.532 -7.271 3.340 1.00 0.00 C ATOM 1143 CG LEU F 22 111.110 -6.734 3.601 1.00 0.00 C ATOM 1144 CD1 LEU F 22 110.980 -6.310 5.071 1.00 0.00 C ATOM 1145 CD2 LEU F 22 110.850 -5.535 2.674 1.00 0.00 C ATOM 0 H LEU F 22 114.609 -8.540 3.769 1.00 0.00 H new ATOM 0 HA LEU F 22 111.809 -9.142 4.132 1.00 0.00 H new ATOM 0 HB2 LEU F 22 113.223 -6.858 4.075 1.00 0.00 H new ATOM 0 HB3 LEU F 22 112.876 -6.943 2.359 1.00 0.00 H new ATOM 0 HG LEU F 22 110.375 -7.513 3.397 1.00 0.00 H new ATOM 0 HD11 LEU F 22 109.974 -5.931 5.253 1.00 0.00 H new ATOM 0 HD12 LEU F 22 111.166 -7.169 5.715 1.00 0.00 H new ATOM 0 HD13 LEU F 22 111.707 -5.528 5.290 1.00 0.00 H new ATOM 0 HD21 LEU F 22 109.846 -5.149 2.852 1.00 0.00 H new ATOM 0 HD22 LEU F 22 111.581 -4.753 2.877 1.00 0.00 H new ATOM 0 HD23 LEU F 22 110.938 -5.853 1.635 1.00 0.00 H new ATOM 1157 N ASN F 23 110.914 -9.499 1.717 1.00 0.00 N ATOM 1158 CA ASN F 23 110.499 -10.040 0.420 1.00 0.00 C ATOM 1159 C ASN F 23 110.457 -8.899 -0.614 1.00 0.00 C ATOM 1160 O ASN F 23 110.089 -7.772 -0.274 1.00 0.00 O ATOM 1161 CB ASN F 23 109.145 -10.786 0.570 1.00 0.00 C ATOM 1162 CG ASN F 23 108.070 -10.295 -0.403 1.00 0.00 C ATOM 1163 OD1 ASN F 23 108.214 -10.434 -1.616 1.00 0.00 O ATOM 1164 ND2 ASN F 23 106.982 -9.751 0.069 1.00 0.00 N ATOM 0 H ASN F 23 110.147 -9.226 2.331 1.00 0.00 H new ATOM 0 HA ASN F 23 111.218 -10.775 0.058 1.00 0.00 H new ATOM 0 HB2 ASN F 23 109.307 -11.852 0.413 1.00 0.00 H new ATOM 0 HB3 ASN F 23 108.783 -10.665 1.591 1.00 0.00 H new ATOM 0 HD21 ASN F 23 106.249 -9.440 -0.569 1.00 0.00 H new ATOM 0 HD22 ASN F 23 106.864 -9.637 1.076 1.00 0.00 H new ATOM 1171 N PRO F 24 110.860 -9.150 -1.849 1.00 0.00 N ATOM 1172 CA PRO F 24 110.894 -8.093 -2.912 1.00 0.00 C ATOM 1173 C PRO F 24 109.556 -7.377 -3.090 1.00 0.00 C ATOM 1174 O PRO F 24 109.520 -6.153 -3.252 1.00 0.00 O ATOM 1175 CB PRO F 24 111.291 -8.846 -4.189 1.00 0.00 C ATOM 1176 CG PRO F 24 111.913 -10.124 -3.733 1.00 0.00 C ATOM 1177 CD PRO F 24 111.321 -10.454 -2.366 1.00 0.00 C ATOM 0 HA PRO F 24 111.593 -7.299 -2.650 1.00 0.00 H new ATOM 0 HB2 PRO F 24 110.420 -9.037 -4.816 1.00 0.00 H new ATOM 0 HB3 PRO F 24 111.992 -8.262 -4.785 1.00 0.00 H new ATOM 0 HG2 PRO F 24 111.710 -10.925 -4.443 1.00 0.00 H new ATOM 0 HG3 PRO F 24 112.996 -10.023 -3.668 1.00 0.00 H new ATOM 0 HD2 PRO F 24 110.498 -11.164 -2.449 1.00 0.00 H new ATOM 0 HD3 PRO F 24 112.064 -10.904 -1.708 1.00 0.00 H new ATOM 1185 N ASP F 25 108.450 -8.133 -3.033 1.00 0.00 N ATOM 1186 CA ASP F 25 107.117 -7.531 -3.158 1.00 0.00 C ATOM 1187 C ASP F 25 106.885 -6.581 -1.981 1.00 0.00 C ATOM 1188 O ASP F 25 106.294 -5.507 -2.139 1.00 0.00 O ATOM 1189 CB ASP F 25 106.029 -8.618 -3.195 1.00 0.00 C ATOM 1190 CG ASP F 25 106.199 -9.521 -4.426 1.00 0.00 C ATOM 1191 OD1 ASP F 25 106.340 -8.993 -5.523 1.00 0.00 O ATOM 1192 OD2 ASP F 25 106.170 -10.729 -4.257 1.00 0.00 O ATOM 0 H ASP F 25 108.451 -9.145 -2.903 1.00 0.00 H new ATOM 0 HA ASP F 25 107.062 -6.973 -4.093 1.00 0.00 H new ATOM 0 HB2 ASP F 25 106.079 -9.220 -2.288 1.00 0.00 H new ATOM 0 HB3 ASP F 25 105.044 -8.152 -3.214 1.00 0.00 H new ATOM 1197 N GLN F 26 107.409 -6.978 -0.813 1.00 0.00 N ATOM 1198 CA GLN F 26 107.320 -6.158 0.381 1.00 0.00 C ATOM 1199 C GLN F 26 108.098 -4.860 0.156 1.00 0.00 C ATOM 1200 O GLN F 26 107.654 -3.786 0.561 1.00 0.00 O ATOM 1201 CB GLN F 26 107.894 -6.911 1.583 1.00 0.00 C ATOM 1202 CG GLN F 26 107.423 -6.249 2.880 1.00 0.00 C ATOM 1203 CD GLN F 26 106.111 -6.879 3.345 1.00 0.00 C ATOM 1204 OE1 GLN F 26 105.098 -6.193 3.470 1.00 0.00 O ATOM 1205 NE2 GLN F 26 106.076 -8.155 3.609 1.00 0.00 N ATOM 0 H GLN F 26 107.897 -7.864 -0.680 1.00 0.00 H new ATOM 0 HA GLN F 26 106.274 -5.927 0.585 1.00 0.00 H new ATOM 0 HB2 GLN F 26 107.574 -7.953 1.558 1.00 0.00 H new ATOM 0 HB3 GLN F 26 108.983 -6.911 1.538 1.00 0.00 H new ATOM 0 HG2 GLN F 26 108.184 -6.363 3.652 1.00 0.00 H new ATOM 0 HG3 GLN F 26 107.286 -5.179 2.722 1.00 0.00 H new ATOM 0 HE21 GLN F 26 106.918 -8.721 3.504 1.00 0.00 H new ATOM 0 HE22 GLN F 26 105.206 -8.588 3.920 1.00 0.00 H new ATOM 1214 N LEU F 27 109.259 -4.978 -0.514 1.00 0.00 N ATOM 1215 CA LEU F 27 110.096 -3.808 -0.820 1.00 0.00 C ATOM 1216 C LEU F 27 109.315 -2.827 -1.693 1.00 0.00 C ATOM 1217 O LEU F 27 109.338 -1.623 -1.451 1.00 0.00 O ATOM 1218 CB LEU F 27 111.387 -4.225 -1.559 1.00 0.00 C ATOM 1219 CG LEU F 27 112.548 -4.401 -0.565 1.00 0.00 C ATOM 1220 CD1 LEU F 27 113.650 -5.263 -1.195 1.00 0.00 C ATOM 1221 CD2 LEU F 27 113.123 -3.027 -0.190 1.00 0.00 C ATOM 0 H LEU F 27 109.635 -5.865 -0.851 1.00 0.00 H new ATOM 0 HA LEU F 27 110.370 -3.334 0.123 1.00 0.00 H new ATOM 0 HB2 LEU F 27 111.219 -5.157 -2.098 1.00 0.00 H new ATOM 0 HB3 LEU F 27 111.648 -3.470 -2.301 1.00 0.00 H new ATOM 0 HG LEU F 27 112.175 -4.895 0.332 1.00 0.00 H new ATOM 0 HD11 LEU F 27 114.468 -5.383 -0.485 1.00 0.00 H new ATOM 0 HD12 LEU F 27 113.245 -6.242 -1.451 1.00 0.00 H new ATOM 0 HD13 LEU F 27 114.021 -4.777 -2.097 1.00 0.00 H new ATOM 0 HD21 LEU F 27 113.945 -3.156 0.514 1.00 0.00 H new ATOM 0 HD22 LEU F 27 113.489 -2.529 -1.088 1.00 0.00 H new ATOM 0 HD23 LEU F 27 112.344 -2.420 0.270 1.00 0.00 H new ATOM 1233 N CYS F 28 108.616 -3.356 -2.706 1.00 0.00 N ATOM 1234 CA CYS F 28 107.823 -2.508 -3.603 1.00 0.00 C ATOM 1235 C CYS F 28 106.736 -1.781 -2.814 1.00 0.00 C ATOM 1236 O CYS F 28 106.560 -0.567 -2.957 1.00 0.00 O ATOM 1237 CB CYS F 28 107.188 -3.349 -4.715 1.00 0.00 C ATOM 1238 SG CYS F 28 106.292 -2.264 -5.857 1.00 0.00 S ATOM 0 H CYS F 28 108.583 -4.352 -2.922 1.00 0.00 H new ATOM 0 HA CYS F 28 108.486 -1.772 -4.058 1.00 0.00 H new ATOM 0 HB2 CYS F 28 107.958 -3.903 -5.252 1.00 0.00 H new ATOM 0 HB3 CYS F 28 106.507 -4.084 -4.286 1.00 0.00 H new ATOM 1243 N ALA F 29 106.032 -2.534 -1.962 1.00 0.00 N ATOM 1244 CA ALA F 29 104.981 -1.960 -1.123 1.00 0.00 C ATOM 1245 C ALA F 29 105.592 -0.947 -0.155 1.00 0.00 C ATOM 1246 O ALA F 29 104.999 0.099 0.127 1.00 0.00 O ATOM 1247 CB ALA F 29 104.277 -3.071 -0.334 1.00 0.00 C ATOM 0 H ALA F 29 106.172 -3.537 -1.837 1.00 0.00 H new ATOM 0 HA ALA F 29 104.251 -1.457 -1.758 1.00 0.00 H new ATOM 0 HB1 ALA F 29 103.495 -2.636 0.289 1.00 0.00 H new ATOM 0 HB2 ALA F 29 103.833 -3.785 -1.028 1.00 0.00 H new ATOM 0 HB3 ALA F 29 105.002 -3.583 0.299 1.00 0.00 H new ATOM 1253 N PHE F 30 106.789 -1.271 0.340 1.00 0.00 N ATOM 1254 CA PHE F 30 107.502 -0.400 1.267 1.00 0.00 C ATOM 1255 C PHE F 30 107.834 0.929 0.595 1.00 0.00 C ATOM 1256 O PHE F 30 107.486 1.988 1.110 1.00 0.00 O ATOM 1257 CB PHE F 30 108.792 -1.108 1.735 1.00 0.00 C ATOM 1258 CG PHE F 30 109.673 -0.160 2.528 1.00 0.00 C ATOM 1259 CD1 PHE F 30 109.173 0.463 3.680 1.00 0.00 C ATOM 1260 CD2 PHE F 30 110.992 0.098 2.108 1.00 0.00 C ATOM 1261 CE1 PHE F 30 109.981 1.337 4.409 1.00 0.00 C ATOM 1262 CE2 PHE F 30 111.796 0.975 2.842 1.00 0.00 C ATOM 1263 CZ PHE F 30 111.289 1.593 3.991 1.00 0.00 C ATOM 0 H PHE F 30 107.283 -2.134 0.111 1.00 0.00 H new ATOM 0 HA PHE F 30 106.871 -0.193 2.132 1.00 0.00 H new ATOM 0 HB2 PHE F 30 108.535 -1.972 2.349 1.00 0.00 H new ATOM 0 HB3 PHE F 30 109.340 -1.483 0.871 1.00 0.00 H new ATOM 0 HD1 PHE F 30 108.162 0.266 4.004 1.00 0.00 H new ATOM 0 HD2 PHE F 30 111.381 -0.380 1.221 1.00 0.00 H new ATOM 0 HE1 PHE F 30 109.595 1.816 5.297 1.00 0.00 H new ATOM 0 HE2 PHE F 30 112.808 1.176 2.523 1.00 0.00 H new ATOM 0 HZ PHE F 30 111.912 2.270 4.557 1.00 0.00 H new ATOM 1273 N ILE F 31 108.490 0.867 -0.569 1.00 0.00 N ATOM 1274 CA ILE F 31 108.858 2.083 -1.310 1.00 0.00 C ATOM 1275 C ILE F 31 107.613 2.900 -1.656 1.00 0.00 C ATOM 1276 O ILE F 31 107.648 4.135 -1.641 1.00 0.00 O ATOM 1277 CB ILE F 31 109.650 1.711 -2.575 1.00 0.00 C ATOM 1278 CG1 ILE F 31 110.950 1.004 -2.154 1.00 0.00 C ATOM 1279 CG2 ILE F 31 110.007 2.978 -3.374 1.00 0.00 C ATOM 1280 CD1 ILE F 31 111.666 0.422 -3.373 1.00 0.00 C ATOM 0 H ILE F 31 108.776 -0.004 -1.017 1.00 0.00 H new ATOM 0 HA ILE F 31 109.495 2.702 -0.678 1.00 0.00 H new ATOM 0 HB ILE F 31 109.042 1.056 -3.199 1.00 0.00 H new ATOM 0 HG12 ILE F 31 111.605 1.710 -1.644 1.00 0.00 H new ATOM 0 HG13 ILE F 31 110.724 0.208 -1.444 1.00 0.00 H new ATOM 0 HG21 ILE F 31 110.567 2.699 -4.266 1.00 0.00 H new ATOM 0 HG22 ILE F 31 109.092 3.494 -3.666 1.00 0.00 H new ATOM 0 HG23 ILE F 31 110.615 3.639 -2.756 1.00 0.00 H new ATOM 0 HD11 ILE F 31 112.583 -0.074 -3.054 1.00 0.00 H new ATOM 0 HD12 ILE F 31 111.016 -0.300 -3.866 1.00 0.00 H new ATOM 0 HD13 ILE F 31 111.911 1.225 -4.069 1.00 0.00 H new ATOM 1292 N HIS F 32 106.512 2.198 -1.935 1.00 0.00 N ATOM 1293 CA HIS F 32 105.248 2.857 -2.249 1.00 0.00 C ATOM 1294 C HIS F 32 104.780 3.670 -1.039 1.00 0.00 C ATOM 1295 O HIS F 32 104.360 4.822 -1.178 1.00 0.00 O ATOM 1296 CB HIS F 32 104.186 1.807 -2.609 1.00 0.00 C ATOM 1297 CG HIS F 32 103.007 2.468 -3.275 1.00 0.00 C ATOM 1298 ND1 HIS F 32 102.088 3.235 -2.573 1.00 0.00 N ATOM 1299 CD2 HIS F 32 102.577 2.472 -4.580 1.00 0.00 C ATOM 1300 CE1 HIS F 32 101.161 3.661 -3.451 1.00 0.00 C ATOM 1301 NE2 HIS F 32 101.411 3.225 -4.688 1.00 0.00 N ATOM 0 H HIS F 32 106.473 1.179 -1.949 1.00 0.00 H new ATOM 0 HA HIS F 32 105.393 3.523 -3.100 1.00 0.00 H new ATOM 0 HB2 HIS F 32 104.616 1.057 -3.274 1.00 0.00 H new ATOM 0 HB3 HIS F 32 103.860 1.286 -1.709 1.00 0.00 H new ATOM 0 HD1 HIS F 32 102.111 3.439 -1.574 1.00 0.00 H new ATOM 0 HD2 HIS F 32 103.069 1.967 -5.398 1.00 0.00 H new ATOM 0 HE1 HIS F 32 100.317 4.281 -3.187 1.00 0.00 H new ATOM 1310 N SER F 33 104.862 3.051 0.148 1.00 0.00 N ATOM 1311 CA SER F 33 104.444 3.709 1.389 1.00 0.00 C ATOM 1312 C SER F 33 105.337 4.919 1.711 1.00 0.00 C ATOM 1313 O SER F 33 104.839 5.935 2.206 1.00 0.00 O ATOM 1314 CB SER F 33 104.444 2.701 2.551 1.00 0.00 C ATOM 1315 OG SER F 33 105.775 2.437 2.977 1.00 0.00 O ATOM 0 H SER F 33 105.212 2.101 0.272 1.00 0.00 H new ATOM 0 HA SER F 33 103.429 4.081 1.251 1.00 0.00 H new ATOM 0 HB2 SER F 33 103.860 3.095 3.383 1.00 0.00 H new ATOM 0 HB3 SER F 33 103.965 1.774 2.237 1.00 0.00 H new ATOM 0 HG SER F 33 106.294 2.079 2.227 1.00 0.00 H new ATOM 1321 N LEU F 34 106.646 4.818 1.410 1.00 0.00 N ATOM 1322 CA LEU F 34 107.573 5.931 1.656 1.00 0.00 C ATOM 1323 C LEU F 34 107.136 7.160 0.849 1.00 0.00 C ATOM 1324 O LEU F 34 107.242 8.295 1.320 1.00 0.00 O ATOM 1325 CB LEU F 34 109.016 5.553 1.242 1.00 0.00 C ATOM 1326 CG LEU F 34 109.532 4.343 2.043 1.00 0.00 C ATOM 1327 CD1 LEU F 34 110.919 3.910 1.514 1.00 0.00 C ATOM 1328 CD2 LEU F 34 109.637 4.724 3.526 1.00 0.00 C ATOM 0 H LEU F 34 107.077 3.989 1.002 1.00 0.00 H new ATOM 0 HA LEU F 34 107.555 6.154 2.723 1.00 0.00 H new ATOM 0 HB2 LEU F 34 109.042 5.324 0.177 1.00 0.00 H new ATOM 0 HB3 LEU F 34 109.677 6.405 1.401 1.00 0.00 H new ATOM 0 HG LEU F 34 108.837 3.511 1.928 1.00 0.00 H new ATOM 0 HD11 LEU F 34 111.276 3.054 2.087 1.00 0.00 H new ATOM 0 HD12 LEU F 34 110.838 3.635 0.462 1.00 0.00 H new ATOM 0 HD13 LEU F 34 111.623 4.736 1.620 1.00 0.00 H new ATOM 0 HD21 LEU F 34 110.002 3.870 4.096 1.00 0.00 H new ATOM 0 HD22 LEU F 34 110.329 5.558 3.639 1.00 0.00 H new ATOM 0 HD23 LEU F 34 108.654 5.015 3.897 1.00 0.00 H new ATOM 1340 N HIS F 35 106.662 6.909 -0.379 1.00 0.00 N ATOM 1341 CA HIS F 35 106.220 7.975 -1.287 1.00 0.00 C ATOM 1342 C HIS F 35 104.834 8.527 -0.913 1.00 0.00 C ATOM 1343 O HIS F 35 104.580 9.722 -1.088 1.00 0.00 O ATOM 1344 CB HIS F 35 106.192 7.433 -2.726 1.00 0.00 C ATOM 1345 CG HIS F 35 105.934 8.553 -3.704 1.00 0.00 C ATOM 1346 ND1 HIS F 35 106.877 9.534 -3.969 1.00 0.00 N ATOM 1347 CD2 HIS F 35 104.846 8.858 -4.485 1.00 0.00 C ATOM 1348 CE1 HIS F 35 106.344 10.374 -4.875 1.00 0.00 C ATOM 1349 NE2 HIS F 35 105.108 10.008 -5.224 1.00 0.00 N ATOM 0 H HIS F 35 106.575 5.970 -0.768 1.00 0.00 H new ATOM 0 HA HIS F 35 106.928 8.799 -1.202 1.00 0.00 H new ATOM 0 HB2 HIS F 35 107.141 6.950 -2.958 1.00 0.00 H new ATOM 0 HB3 HIS F 35 105.416 6.673 -2.820 1.00 0.00 H new ATOM 0 HD2 HIS F 35 103.927 8.292 -4.520 1.00 0.00 H new ATOM 0 HE1 HIS F 35 106.854 11.239 -5.272 1.00 0.00 H new ATOM 0 HE2 HIS F 35 104.489 10.472 -5.889 1.00 0.00 H new ATOM 1358 N ASP F 36 103.937 7.652 -0.435 1.00 0.00 N ATOM 1359 CA ASP F 36 102.571 8.063 -0.077 1.00 0.00 C ATOM 1360 C ASP F 36 102.562 9.227 0.917 1.00 0.00 C ATOM 1361 O ASP F 36 101.736 10.137 0.797 1.00 0.00 O ATOM 1362 CB ASP F 36 101.807 6.867 0.515 1.00 0.00 C ATOM 1363 CG ASP F 36 101.624 5.750 -0.529 1.00 0.00 C ATOM 1364 OD1 ASP F 36 101.789 6.012 -1.714 1.00 0.00 O ATOM 1365 OD2 ASP F 36 101.315 4.639 -0.126 1.00 0.00 O ATOM 0 H ASP F 36 104.131 6.661 -0.288 1.00 0.00 H new ATOM 0 HA ASP F 36 102.080 8.405 -0.988 1.00 0.00 H new ATOM 0 HB2 ASP F 36 102.348 6.477 1.377 1.00 0.00 H new ATOM 0 HB3 ASP F 36 100.832 7.197 0.873 1.00 0.00 H new ATOM 1370 N ASP F 37 103.479 9.199 1.886 1.00 0.00 N ATOM 1371 CA ASP F 37 103.564 10.267 2.884 1.00 0.00 C ATOM 1372 C ASP F 37 104.980 10.324 3.475 1.00 0.00 C ATOM 1373 O ASP F 37 105.391 9.396 4.177 1.00 0.00 O ATOM 1374 CB ASP F 37 102.529 10.033 4.000 1.00 0.00 C ATOM 1375 CG ASP F 37 102.224 11.343 4.736 1.00 0.00 C ATOM 1376 OD1 ASP F 37 103.162 12.018 5.137 1.00 0.00 O ATOM 1377 OD2 ASP F 37 101.054 11.649 4.894 1.00 0.00 O ATOM 0 H ASP F 37 104.168 8.455 2.001 1.00 0.00 H new ATOM 0 HA ASP F 37 103.347 11.220 2.401 1.00 0.00 H new ATOM 0 HB2 ASP F 37 101.612 9.627 3.573 1.00 0.00 H new ATOM 0 HB3 ASP F 37 102.907 9.293 4.705 1.00 0.00 H new ATOM 1382 N PRO F 38 105.736 11.375 3.194 1.00 0.00 N ATOM 1383 CA PRO F 38 107.139 11.522 3.706 1.00 0.00 C ATOM 1384 C PRO F 38 107.244 11.376 5.227 1.00 0.00 C ATOM 1385 O PRO F 38 108.204 10.789 5.726 1.00 0.00 O ATOM 1386 CB PRO F 38 107.551 12.934 3.268 1.00 0.00 C ATOM 1387 CG PRO F 38 106.659 13.276 2.122 1.00 0.00 C ATOM 1388 CD PRO F 38 105.347 12.532 2.358 1.00 0.00 C ATOM 0 HA PRO F 38 107.784 10.738 3.310 1.00 0.00 H new ATOM 0 HB2 PRO F 38 107.432 13.647 4.083 1.00 0.00 H new ATOM 0 HB3 PRO F 38 108.599 12.962 2.970 1.00 0.00 H new ATOM 0 HG2 PRO F 38 106.491 14.352 2.069 1.00 0.00 H new ATOM 0 HG3 PRO F 38 107.110 12.976 1.176 1.00 0.00 H new ATOM 0 HD2 PRO F 38 104.616 13.163 2.865 1.00 0.00 H new ATOM 0 HD3 PRO F 38 104.895 12.212 1.419 1.00 0.00 H new ATOM 1396 N SER F 39 106.266 11.918 5.956 1.00 0.00 N ATOM 1397 CA SER F 39 106.284 11.840 7.421 1.00 0.00 C ATOM 1398 C SER F 39 106.186 10.387 7.895 1.00 0.00 C ATOM 1399 O SER F 39 106.789 10.015 8.905 1.00 0.00 O ATOM 1400 CB SER F 39 105.128 12.659 8.012 1.00 0.00 C ATOM 1401 OG SER F 39 103.892 11.994 7.773 1.00 0.00 O ATOM 0 H SER F 39 105.462 12.409 5.565 1.00 0.00 H new ATOM 0 HA SER F 39 107.231 12.253 7.768 1.00 0.00 H new ATOM 0 HB2 SER F 39 105.277 12.794 9.083 1.00 0.00 H new ATOM 0 HB3 SER F 39 105.109 13.653 7.565 1.00 0.00 H new ATOM 0 HG SER F 39 103.679 12.034 6.817 1.00 0.00 H new ATOM 1407 N GLN F 40 105.413 9.578 7.161 1.00 0.00 N ATOM 1408 CA GLN F 40 105.224 8.167 7.508 1.00 0.00 C ATOM 1409 C GLN F 40 106.482 7.336 7.281 1.00 0.00 C ATOM 1410 O GLN F 40 106.623 6.283 7.890 1.00 0.00 O ATOM 1411 CB GLN F 40 104.073 7.562 6.691 1.00 0.00 C ATOM 1412 CG GLN F 40 102.736 8.116 7.196 1.00 0.00 C ATOM 1413 CD GLN F 40 101.552 7.521 6.419 1.00 0.00 C ATOM 1414 OE1 GLN F 40 100.400 7.793 6.753 1.00 0.00 O ATOM 1415 NE2 GLN F 40 101.760 6.727 5.401 1.00 0.00 N ATOM 0 H GLN F 40 104.910 9.876 6.325 1.00 0.00 H new ATOM 0 HA GLN F 40 104.987 8.139 8.572 1.00 0.00 H new ATOM 0 HB2 GLN F 40 104.200 7.798 5.635 1.00 0.00 H new ATOM 0 HB3 GLN F 40 104.084 6.476 6.778 1.00 0.00 H new ATOM 0 HG2 GLN F 40 102.626 7.893 8.257 1.00 0.00 H new ATOM 0 HG3 GLN F 40 102.730 9.201 7.096 1.00 0.00 H new ATOM 0 HE21 GLN F 40 102.713 6.498 5.119 1.00 0.00 H new ATOM 0 HE22 GLN F 40 100.969 6.337 4.889 1.00 0.00 H new ATOM 1424 N SER F 41 107.369 7.782 6.379 1.00 0.00 N ATOM 1425 CA SER F 41 108.586 7.018 6.057 1.00 0.00 C ATOM 1426 C SER F 41 109.309 6.539 7.320 1.00 0.00 C ATOM 1427 O SER F 41 109.750 5.393 7.388 1.00 0.00 O ATOM 1428 CB SER F 41 109.537 7.874 5.210 1.00 0.00 C ATOM 1429 OG SER F 41 110.041 8.951 5.994 1.00 0.00 O ATOM 0 H SER F 41 107.270 8.657 5.864 1.00 0.00 H new ATOM 0 HA SER F 41 108.280 6.138 5.491 1.00 0.00 H new ATOM 0 HB2 SER F 41 110.361 7.263 4.842 1.00 0.00 H new ATOM 0 HB3 SER F 41 109.012 8.262 4.337 1.00 0.00 H new ATOM 0 HG SER F 41 109.465 9.735 5.881 1.00 0.00 H new ATOM 1435 N ALA F 42 109.403 7.417 8.310 1.00 0.00 N ATOM 1436 CA ALA F 42 110.054 7.087 9.580 1.00 0.00 C ATOM 1437 C ALA F 42 109.324 5.937 10.287 1.00 0.00 C ATOM 1438 O ALA F 42 109.956 4.964 10.711 1.00 0.00 O ATOM 1439 CB ALA F 42 110.078 8.319 10.490 1.00 0.00 C ATOM 0 H ALA F 42 109.037 8.368 8.262 1.00 0.00 H new ATOM 0 HA ALA F 42 111.075 6.771 9.368 1.00 0.00 H new ATOM 0 HB1 ALA F 42 110.564 8.066 11.432 1.00 0.00 H new ATOM 0 HB2 ALA F 42 110.630 9.122 10.001 1.00 0.00 H new ATOM 0 HB3 ALA F 42 109.057 8.647 10.685 1.00 0.00 H new ATOM 1445 N ASN F 43 107.993 6.046 10.400 1.00 0.00 N ATOM 1446 CA ASN F 43 107.198 4.993 11.046 1.00 0.00 C ATOM 1447 C ASN F 43 107.259 3.710 10.221 1.00 0.00 C ATOM 1448 O ASN F 43 107.404 2.612 10.766 1.00 0.00 O ATOM 1449 CB ASN F 43 105.739 5.437 11.199 1.00 0.00 C ATOM 1450 CG ASN F 43 105.638 6.564 12.223 1.00 0.00 C ATOM 1451 OD1 ASN F 43 105.307 7.697 11.875 1.00 0.00 O ATOM 1452 ND2 ASN F 43 105.900 6.313 13.475 1.00 0.00 N ATOM 0 H ASN F 43 107.451 6.840 10.058 1.00 0.00 H new ATOM 0 HA ASN F 43 107.615 4.806 12.036 1.00 0.00 H new ATOM 0 HB2 ASN F 43 105.350 5.773 10.238 1.00 0.00 H new ATOM 0 HB3 ASN F 43 105.125 4.593 11.514 1.00 0.00 H new ATOM 0 HD21 ASN F 43 105.831 7.057 14.170 1.00 0.00 H new ATOM 0 HD22 ASN F 43 106.174 5.373 13.760 1.00 0.00 H new ATOM 1459 N LEU F 44 107.167 3.874 8.899 1.00 0.00 N ATOM 1460 CA LEU F 44 107.228 2.751 7.966 1.00 0.00 C ATOM 1461 C LEU F 44 108.569 2.049 8.095 1.00 0.00 C ATOM 1462 O LEU F 44 108.653 0.831 7.958 1.00 0.00 O ATOM 1463 CB LEU F 44 107.051 3.252 6.527 1.00 0.00 C ATOM 1464 CG LEU F 44 105.639 3.832 6.332 1.00 0.00 C ATOM 1465 CD1 LEU F 44 105.619 4.716 5.074 1.00 0.00 C ATOM 1466 CD2 LEU F 44 104.628 2.686 6.180 1.00 0.00 C ATOM 0 H LEU F 44 107.049 4.782 8.450 1.00 0.00 H new ATOM 0 HA LEU F 44 106.426 2.052 8.203 1.00 0.00 H new ATOM 0 HB2 LEU F 44 107.798 4.014 6.306 1.00 0.00 H new ATOM 0 HB3 LEU F 44 107.215 2.433 5.827 1.00 0.00 H new ATOM 0 HG LEU F 44 105.369 4.434 7.200 1.00 0.00 H new ATOM 0 HD11 LEU F 44 104.619 5.128 4.934 1.00 0.00 H new ATOM 0 HD12 LEU F 44 106.334 5.531 5.190 1.00 0.00 H new ATOM 0 HD13 LEU F 44 105.890 4.117 4.204 1.00 0.00 H new ATOM 0 HD21 LEU F 44 103.629 3.098 6.042 1.00 0.00 H new ATOM 0 HD22 LEU F 44 104.893 2.079 5.314 1.00 0.00 H new ATOM 0 HD23 LEU F 44 104.644 2.066 7.076 1.00 0.00 H new ATOM 1478 N LEU F 45 109.614 2.837 8.374 1.00 0.00 N ATOM 1479 CA LEU F 45 110.959 2.298 8.544 1.00 0.00 C ATOM 1480 C LEU F 45 110.987 1.328 9.717 1.00 0.00 C ATOM 1481 O LEU F 45 111.662 0.304 9.660 1.00 0.00 O ATOM 1482 CB LEU F 45 111.969 3.439 8.787 1.00 0.00 C ATOM 1483 CG LEU F 45 112.946 3.523 7.609 1.00 0.00 C ATOM 1484 CD1 LEU F 45 112.231 4.135 6.387 1.00 0.00 C ATOM 1485 CD2 LEU F 45 114.156 4.403 7.977 1.00 0.00 C ATOM 0 H LEU F 45 109.549 3.849 8.486 1.00 0.00 H new ATOM 0 HA LEU F 45 111.238 1.769 7.633 1.00 0.00 H new ATOM 0 HB2 LEU F 45 111.442 4.386 8.903 1.00 0.00 H new ATOM 0 HB3 LEU F 45 112.516 3.263 9.714 1.00 0.00 H new ATOM 0 HG LEU F 45 113.294 2.517 7.372 1.00 0.00 H new ATOM 0 HD11 LEU F 45 112.927 4.194 5.550 1.00 0.00 H new ATOM 0 HD12 LEU F 45 111.383 3.509 6.110 1.00 0.00 H new ATOM 0 HD13 LEU F 45 111.877 5.135 6.636 1.00 0.00 H new ATOM 0 HD21 LEU F 45 114.841 4.453 7.130 1.00 0.00 H new ATOM 0 HD22 LEU F 45 113.813 5.407 8.226 1.00 0.00 H new ATOM 0 HD23 LEU F 45 114.671 3.972 8.835 1.00 0.00 H new ATOM 1497 N ALA F 46 110.238 1.658 10.770 1.00 0.00 N ATOM 1498 CA ALA F 46 110.174 0.806 11.950 1.00 0.00 C ATOM 1499 C ALA F 46 109.554 -0.541 11.588 1.00 0.00 C ATOM 1500 O ALA F 46 110.183 -1.580 11.767 1.00 0.00 O ATOM 1501 CB ALA F 46 109.345 1.490 13.045 1.00 0.00 C ATOM 0 H ALA F 46 109.672 2.504 10.827 1.00 0.00 H new ATOM 0 HA ALA F 46 111.185 0.640 12.323 1.00 0.00 H new ATOM 0 HB1 ALA F 46 109.302 0.847 13.924 1.00 0.00 H new ATOM 0 HB2 ALA F 46 109.809 2.440 13.313 1.00 0.00 H new ATOM 0 HB3 ALA F 46 108.335 1.670 12.677 1.00 0.00 H new ATOM 1507 N GLU F 47 108.322 -0.509 11.066 1.00 0.00 N ATOM 1508 CA GLU F 47 107.623 -1.738 10.679 1.00 0.00 C ATOM 1509 C GLU F 47 108.405 -2.501 9.616 1.00 0.00 C ATOM 1510 O GLU F 47 108.546 -3.723 9.699 1.00 0.00 O ATOM 1511 CB GLU F 47 106.243 -1.408 10.111 1.00 0.00 C ATOM 1512 CG GLU F 47 105.365 -0.759 11.186 1.00 0.00 C ATOM 1513 CD GLU F 47 103.950 -0.541 10.647 1.00 0.00 C ATOM 1514 OE1 GLU F 47 103.771 0.378 9.862 1.00 0.00 O ATOM 1515 OE2 GLU F 47 103.066 -1.295 11.023 1.00 0.00 O ATOM 0 H GLU F 47 107.793 0.348 10.903 1.00 0.00 H new ATOM 0 HA GLU F 47 107.526 -2.353 11.573 1.00 0.00 H new ATOM 0 HB2 GLU F 47 106.344 -0.735 9.260 1.00 0.00 H new ATOM 0 HB3 GLU F 47 105.767 -2.317 9.743 1.00 0.00 H new ATOM 0 HG2 GLU F 47 105.332 -1.394 12.071 1.00 0.00 H new ATOM 0 HG3 GLU F 47 105.797 0.194 11.493 1.00 0.00 H new ATOM 1522 N ALA F 48 108.912 -1.769 8.622 1.00 0.00 N ATOM 1523 CA ALA F 48 109.687 -2.376 7.542 1.00 0.00 C ATOM 1524 C ALA F 48 110.900 -3.080 8.126 1.00 0.00 C ATOM 1525 O ALA F 48 111.228 -4.205 7.743 1.00 0.00 O ATOM 1526 CB ALA F 48 110.140 -1.299 6.551 1.00 0.00 C ATOM 0 H ALA F 48 108.799 -0.758 8.544 1.00 0.00 H new ATOM 0 HA ALA F 48 109.064 -3.099 7.016 1.00 0.00 H new ATOM 0 HB1 ALA F 48 110.717 -1.761 5.750 1.00 0.00 H new ATOM 0 HB2 ALA F 48 109.266 -0.802 6.129 1.00 0.00 H new ATOM 0 HB3 ALA F 48 110.760 -0.566 7.068 1.00 0.00 H new ATOM 1532 N LYS F 49 111.544 -2.415 9.077 1.00 0.00 N ATOM 1533 CA LYS F 49 112.695 -2.986 9.734 1.00 0.00 C ATOM 1534 C LYS F 49 112.265 -4.213 10.547 1.00 0.00 C ATOM 1535 O LYS F 49 112.986 -5.212 10.593 1.00 0.00 O ATOM 1536 CB LYS F 49 113.357 -1.938 10.635 1.00 0.00 C ATOM 1537 CG LYS F 49 114.710 -2.469 11.129 1.00 0.00 C ATOM 1538 CD LYS F 49 114.920 -2.068 12.596 1.00 0.00 C ATOM 1539 CE LYS F 49 115.240 -0.572 12.696 1.00 0.00 C ATOM 1540 NZ LYS F 49 115.450 -0.205 14.126 1.00 0.00 N ATOM 0 H LYS F 49 111.284 -1.484 9.404 1.00 0.00 H new ATOM 0 HA LYS F 49 113.423 -3.301 8.987 1.00 0.00 H new ATOM 0 HB2 LYS F 49 113.498 -1.007 10.085 1.00 0.00 H new ATOM 0 HB3 LYS F 49 112.711 -1.712 11.484 1.00 0.00 H new ATOM 0 HG2 LYS F 49 114.743 -3.554 11.030 1.00 0.00 H new ATOM 0 HG3 LYS F 49 115.515 -2.068 10.514 1.00 0.00 H new ATOM 0 HD2 LYS F 49 114.024 -2.295 13.174 1.00 0.00 H new ATOM 0 HD3 LYS F 49 115.734 -2.651 13.027 1.00 0.00 H new ATOM 0 HE2 LYS F 49 116.132 -0.340 12.115 1.00 0.00 H new ATOM 0 HE3 LYS F 49 114.424 0.015 12.275 1.00 0.00 H new ATOM 0 HZ1 LYS F 49 115.667 0.810 14.196 1.00 0.00 H new ATOM 0 HZ2 LYS F 49 114.587 -0.412 14.668 1.00 0.00 H new ATOM 0 HZ3 LYS F 49 116.243 -0.756 14.513 1.00 0.00 H new ATOM 1554 N LYS F 50 111.073 -4.141 11.172 1.00 0.00 N ATOM 1555 CA LYS F 50 110.565 -5.274 11.960 1.00 0.00 C ATOM 1556 C LYS F 50 110.341 -6.479 11.062 1.00 0.00 C ATOM 1557 O LYS F 50 110.559 -7.610 11.488 1.00 0.00 O ATOM 1558 CB LYS F 50 109.253 -4.921 12.681 1.00 0.00 C ATOM 1559 CG LYS F 50 109.515 -3.941 13.829 1.00 0.00 C ATOM 1560 CD LYS F 50 108.193 -3.643 14.554 1.00 0.00 C ATOM 1561 CE LYS F 50 108.294 -2.300 15.280 1.00 0.00 C ATOM 1562 NZ LYS F 50 107.197 -2.192 16.284 1.00 0.00 N ATOM 0 H LYS F 50 110.458 -3.328 11.147 1.00 0.00 H new ATOM 0 HA LYS F 50 111.316 -5.511 12.714 1.00 0.00 H new ATOM 0 HB2 LYS F 50 108.550 -4.481 11.974 1.00 0.00 H new ATOM 0 HB3 LYS F 50 108.789 -5.828 13.069 1.00 0.00 H new ATOM 0 HG2 LYS F 50 110.238 -4.365 14.526 1.00 0.00 H new ATOM 0 HG3 LYS F 50 109.947 -3.018 13.443 1.00 0.00 H new ATOM 0 HD2 LYS F 50 107.372 -3.619 13.838 1.00 0.00 H new ATOM 0 HD3 LYS F 50 107.971 -4.437 15.267 1.00 0.00 H new ATOM 0 HE2 LYS F 50 109.262 -2.213 15.773 1.00 0.00 H new ATOM 0 HE3 LYS F 50 108.227 -1.481 14.563 1.00 0.00 H new ATOM 0 HZ1 LYS F 50 107.266 -1.279 16.777 1.00 0.00 H new ATOM 0 HZ2 LYS F 50 106.278 -2.256 15.802 1.00 0.00 H new ATOM 0 HZ3 LYS F 50 107.281 -2.965 16.974 1.00 0.00 H new ATOM 1576 N LEU F 51 109.918 -6.235 9.813 1.00 0.00 N ATOM 1577 CA LEU F 51 109.693 -7.329 8.863 1.00 0.00 C ATOM 1578 C LEU F 51 110.976 -8.090 8.613 1.00 0.00 C ATOM 1579 O LEU F 51 110.966 -9.310 8.514 1.00 0.00 O ATOM 1580 CB LEU F 51 109.207 -6.807 7.519 1.00 0.00 C ATOM 1581 CG LEU F 51 107.752 -6.362 7.568 1.00 0.00 C ATOM 1582 CD1 LEU F 51 107.338 -5.992 6.143 1.00 0.00 C ATOM 1583 CD2 LEU F 51 106.858 -7.503 8.090 1.00 0.00 C ATOM 0 H LEU F 51 109.728 -5.304 9.443 1.00 0.00 H new ATOM 0 HA LEU F 51 108.938 -7.978 9.307 1.00 0.00 H new ATOM 0 HB2 LEU F 51 109.831 -5.969 7.209 1.00 0.00 H new ATOM 0 HB3 LEU F 51 109.322 -7.586 6.765 1.00 0.00 H new ATOM 0 HG LEU F 51 107.639 -5.511 8.240 1.00 0.00 H new ATOM 0 HD11 LEU F 51 106.298 -5.667 6.139 1.00 0.00 H new ATOM 0 HD12 LEU F 51 107.972 -5.184 5.778 1.00 0.00 H new ATOM 0 HD13 LEU F 51 107.449 -6.861 5.495 1.00 0.00 H new ATOM 0 HD21 LEU F 51 105.821 -7.169 8.119 1.00 0.00 H new ATOM 0 HD22 LEU F 51 106.943 -8.364 7.427 1.00 0.00 H new ATOM 0 HD23 LEU F 51 107.176 -7.785 9.094 1.00 0.00 H new ATOM 1595 N ASN F 52 112.081 -7.354 8.517 1.00 0.00 N ATOM 1596 CA ASN F 52 113.377 -7.980 8.292 1.00 0.00 C ATOM 1597 C ASN F 52 113.619 -9.006 9.412 1.00 0.00 C ATOM 1598 O ASN F 52 114.162 -10.086 9.174 1.00 0.00 O ATOM 1599 CB ASN F 52 114.482 -6.891 8.222 1.00 0.00 C ATOM 1600 CG ASN F 52 115.533 -7.072 9.309 1.00 0.00 C ATOM 1601 OD1 ASN F 52 116.600 -7.638 9.075 1.00 0.00 O ATOM 1602 ND2 ASN F 52 115.275 -6.618 10.492 1.00 0.00 N ATOM 0 H ASN F 52 112.104 -6.337 8.591 1.00 0.00 H new ATOM 0 HA ASN F 52 113.401 -8.508 7.339 1.00 0.00 H new ATOM 0 HB2 ASN F 52 114.963 -6.925 7.244 1.00 0.00 H new ATOM 0 HB3 ASN F 52 114.026 -5.906 8.319 1.00 0.00 H new ATOM 0 HD21 ASN F 52 115.959 -6.728 11.241 1.00 0.00 H new ATOM 0 HD22 ASN F 52 114.388 -6.150 10.676 1.00 0.00 H new ATOM 1609 N ASP F 53 113.160 -8.650 10.623 1.00 0.00 N ATOM 1610 CA ASP F 53 113.270 -9.526 11.791 1.00 0.00 C ATOM 1611 C ASP F 53 112.164 -10.595 11.775 1.00 0.00 C ATOM 1612 O ASP F 53 112.391 -11.747 12.156 1.00 0.00 O ATOM 1613 CB ASP F 53 113.170 -8.698 13.077 1.00 0.00 C ATOM 1614 CG ASP F 53 113.439 -9.584 14.296 1.00 0.00 C ATOM 1615 OD1 ASP F 53 114.600 -9.780 14.618 1.00 0.00 O ATOM 1616 OD2 ASP F 53 112.480 -10.055 14.887 1.00 0.00 O ATOM 0 H ASP F 53 112.708 -7.756 10.815 1.00 0.00 H new ATOM 0 HA ASP F 53 114.238 -10.026 11.756 1.00 0.00 H new ATOM 0 HB2 ASP F 53 113.888 -7.879 13.048 1.00 0.00 H new ATOM 0 HB3 ASP F 53 112.179 -8.251 13.155 1.00 0.00 H new ATOM 1621 N ALA F 54 110.965 -10.186 11.345 1.00 0.00 N ATOM 1622 CA ALA F 54 109.801 -11.078 11.279 1.00 0.00 C ATOM 1623 C ALA F 54 109.956 -12.132 10.179 1.00 0.00 C ATOM 1624 O ALA F 54 109.455 -13.253 10.308 1.00 0.00 O ATOM 1625 CB ALA F 54 108.534 -10.251 11.013 1.00 0.00 C ATOM 0 H ALA F 54 110.774 -9.233 11.035 1.00 0.00 H new ATOM 0 HA ALA F 54 109.723 -11.595 12.235 1.00 0.00 H new ATOM 0 HB1 ALA F 54 107.670 -10.914 10.964 1.00 0.00 H new ATOM 0 HB2 ALA F 54 108.394 -9.531 11.819 1.00 0.00 H new ATOM 0 HB3 ALA F 54 108.638 -9.720 10.067 1.00 0.00 H new ATOM 1631 N GLN F 55 110.639 -11.750 9.098 1.00 0.00 N ATOM 1632 CA GLN F 55 110.860 -12.633 7.949 1.00 0.00 C ATOM 1633 C GLN F 55 112.256 -13.253 8.005 1.00 0.00 C ATOM 1634 O GLN F 55 112.620 -14.074 7.160 1.00 0.00 O ATOM 1635 CB GLN F 55 110.682 -11.840 6.646 1.00 0.00 C ATOM 1636 CG GLN F 55 109.246 -11.281 6.590 1.00 0.00 C ATOM 1637 CD GLN F 55 108.958 -10.581 5.255 1.00 0.00 C ATOM 1638 OE1 GLN F 55 107.849 -10.090 5.044 1.00 0.00 O ATOM 1639 NE2 GLN F 55 109.880 -10.505 4.336 1.00 0.00 N ATOM 0 H GLN F 55 111.053 -10.824 8.994 1.00 0.00 H new ATOM 0 HA GLN F 55 110.128 -13.440 7.981 1.00 0.00 H new ATOM 0 HB2 GLN F 55 111.405 -11.026 6.599 1.00 0.00 H new ATOM 0 HB3 GLN F 55 110.870 -12.483 5.786 1.00 0.00 H new ATOM 0 HG2 GLN F 55 108.534 -12.093 6.735 1.00 0.00 H new ATOM 0 HG3 GLN F 55 109.098 -10.577 7.409 1.00 0.00 H new ATOM 0 HE21 GLN F 55 110.801 -10.909 4.503 1.00 0.00 H new ATOM 0 HE22 GLN F 55 109.680 -10.041 3.450 1.00 0.00 H new ATOM 1648 N ALA F 56 113.026 -12.848 9.015 1.00 0.00 N ATOM 1649 CA ALA F 56 114.379 -13.342 9.210 1.00 0.00 C ATOM 1650 C ALA F 56 114.392 -14.857 9.439 1.00 0.00 C ATOM 1651 O ALA F 56 113.345 -15.476 9.654 1.00 0.00 O ATOM 1652 CB ALA F 56 115.009 -12.635 10.418 1.00 0.00 C ATOM 0 H ALA F 56 112.726 -12.170 9.716 1.00 0.00 H new ATOM 0 HA ALA F 56 114.954 -13.130 8.309 1.00 0.00 H new ATOM 0 HB1 ALA F 56 116.024 -13.004 10.567 1.00 0.00 H new ATOM 0 HB2 ALA F 56 115.036 -11.560 10.237 1.00 0.00 H new ATOM 0 HB3 ALA F 56 114.415 -12.838 11.309 1.00 0.00 H new TER 1658 ALA F 56