USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 624 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 68 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 62 ASN : amide:sc= -1.13 X(o=-3.4,f=-3.4!) USER MOD Set 2.2: A 64 ASN : amide:sc= -1.86 K(o=-3.4,f=0.69) USER MOD Set 2.3: A 65 ASN : amide:sc= -0.401 K(o=-3.4,f=0.69) USER MOD Single : A 2 ASN : amide:sc= -0.939! C(o=-0.94!,f=-1.6!) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.086) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 MET CE :methyl 174:sc= -7.27! (180deg=-7.85!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.151 USER MOD Single : A 16 TYR OH : rot -163:sc= 0.904 USER MOD Single : A 18 GLN : amide:sc= -3.58! C(o=-3.6!,f=-6.2!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -6.88! C(o=-6.9!,f=-13!) USER MOD Single : A 35 HIS : no HD1:sc= -3.83 K(o=-3.8,f=-2.1) USER MOD Single : A 36 ASN : amide:sc= -0.331 X(o=-0.33,f=-0.11) USER MOD Single : A 37 GLN : amide:sc= -0.523 X(o=-0.52,f=-0.91) USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 45 GLN : amide:sc= -1.1 K(o=-1.1,f=-0.44) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -6.35! C(o=-6.4!,f=-8.9!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HD1:sc= -0.0302 X(o=-0.03,f=-0.035) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.755 K(o=-0.75,f=-0.079) USER MOD Single : A 76 ASN : amide:sc= -0.873 K(o=-0.87,f=-0.17) USER MOD Single : A 79 TYR OH : rot 180:sc= -2.08! USER MOD Single : A 80 THR OG1 : rot -106:sc= -3.34! USER MOD Single : A 82 SER OG : rot 180:sc= -2.33! USER MOD Single : A 88 SER OG : rot 180:sc= 0.0405 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 22 N ASN A 2 5.202 10.655 7.534 1.00 0.00 N ATOM 23 CA ASN A 2 6.232 9.697 8.027 1.00 0.00 C ATOM 24 C ASN A 2 5.650 8.285 8.010 1.00 0.00 C ATOM 25 O ASN A 2 4.618 8.037 7.418 1.00 0.00 O ATOM 26 CB ASN A 2 6.653 10.060 9.461 1.00 0.00 C ATOM 27 CG ASN A 2 5.652 11.044 10.076 1.00 0.00 C ATOM 28 OD1 ASN A 2 5.447 12.123 9.557 1.00 0.00 O ATOM 29 ND2 ASN A 2 5.017 10.716 11.169 1.00 0.00 N ATOM 0 HA ASN A 2 7.107 9.747 7.379 1.00 0.00 H new ATOM 0 HB2 ASN A 2 6.708 9.158 10.071 1.00 0.00 H new ATOM 0 HB3 ASN A 2 7.650 10.501 9.454 1.00 0.00 H new ATOM 0 HD21 ASN A 2 4.350 11.365 11.586 1.00 0.00 H new ATOM 0 HD22 ASN A 2 5.188 9.810 11.606 1.00 0.00 H new ATOM 36 N CYS A 3 6.300 7.356 8.651 1.00 0.00 N ATOM 37 CA CYS A 3 5.778 5.962 8.663 1.00 0.00 C ATOM 38 C CYS A 3 4.594 5.865 9.626 1.00 0.00 C ATOM 39 O CYS A 3 3.743 5.012 9.486 1.00 0.00 O ATOM 40 CB CYS A 3 6.883 5.005 9.114 1.00 0.00 C ATOM 41 SG CYS A 3 6.644 3.397 8.322 1.00 0.00 S ATOM 0 H CYS A 3 7.168 7.501 9.166 1.00 0.00 H new ATOM 0 HA CYS A 3 5.451 5.691 7.659 1.00 0.00 H new ATOM 0 HB2 CYS A 3 7.860 5.410 8.852 1.00 0.00 H new ATOM 0 HB3 CYS A 3 6.864 4.895 10.198 1.00 0.00 H new ATOM 46 N GLY A 4 4.533 6.730 10.602 1.00 0.00 N ATOM 47 CA GLY A 4 3.404 6.683 11.577 1.00 0.00 C ATOM 48 C GLY A 4 2.067 6.736 10.832 1.00 0.00 C ATOM 49 O GLY A 4 1.310 5.784 10.829 1.00 0.00 O ATOM 0 H GLY A 4 5.217 7.469 10.767 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.463 5.771 12.171 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.477 7.520 12.271 1.00 0.00 H new ATOM 53 N GLN A 5 1.767 7.840 10.203 1.00 0.00 N ATOM 54 CA GLN A 5 0.477 7.949 9.461 1.00 0.00 C ATOM 55 C GLN A 5 0.387 6.808 8.447 1.00 0.00 C ATOM 56 O GLN A 5 -0.531 6.005 8.470 1.00 0.00 O ATOM 57 CB GLN A 5 0.429 9.290 8.724 1.00 0.00 C ATOM 58 CG GLN A 5 -0.757 10.111 9.231 1.00 0.00 C ATOM 59 CD GLN A 5 -0.326 11.568 9.413 1.00 0.00 C ATOM 60 OE1 GLN A 5 0.538 11.862 10.215 1.00 0.00 O ATOM 61 NE2 GLN A 5 -0.894 12.499 8.697 1.00 0.00 N ATOM 0 H GLN A 5 2.358 8.671 10.170 1.00 0.00 H new ATOM 0 HA GLN A 5 -0.358 7.888 10.159 1.00 0.00 H new ATOM 0 HB2 GLN A 5 1.358 9.838 8.883 1.00 0.00 H new ATOM 0 HB3 GLN A 5 0.337 9.124 7.651 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -1.584 10.051 8.524 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -1.116 9.706 10.177 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -1.619 12.253 8.023 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -0.613 13.473 8.811 1.00 0.00 H new ATOM 70 N VAL A 6 1.340 6.727 7.560 1.00 0.00 N ATOM 71 CA VAL A 6 1.326 5.638 6.550 1.00 0.00 C ATOM 72 C VAL A 6 0.987 4.324 7.251 1.00 0.00 C ATOM 73 O VAL A 6 0.444 3.413 6.663 1.00 0.00 O ATOM 74 CB VAL A 6 2.710 5.526 5.904 1.00 0.00 C ATOM 75 CG1 VAL A 6 2.734 4.339 4.940 1.00 0.00 C ATOM 76 CG2 VAL A 6 3.023 6.811 5.134 1.00 0.00 C ATOM 0 H VAL A 6 2.128 7.371 7.493 1.00 0.00 H new ATOM 0 HA VAL A 6 0.584 5.853 5.781 1.00 0.00 H new ATOM 0 HB VAL A 6 3.458 5.376 6.683 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.720 4.262 4.482 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.515 3.422 5.487 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.984 4.486 4.163 1.00 0.00 H new ATOM 0 HG21 VAL A 6 4.008 6.729 4.675 1.00 0.00 H new ATOM 0 HG22 VAL A 6 2.273 6.962 4.358 1.00 0.00 H new ATOM 0 HG23 VAL A 6 3.011 7.658 5.820 1.00 0.00 H new ATOM 86 N ASP A 7 1.314 4.219 8.509 1.00 0.00 N ATOM 87 CA ASP A 7 1.025 2.966 9.251 1.00 0.00 C ATOM 88 C ASP A 7 -0.469 2.909 9.595 1.00 0.00 C ATOM 89 O ASP A 7 -1.134 1.945 9.309 1.00 0.00 O ATOM 90 CB ASP A 7 1.893 2.925 10.530 1.00 0.00 C ATOM 91 CG ASP A 7 1.032 2.807 11.798 1.00 0.00 C ATOM 92 OD1 ASP A 7 0.239 1.883 11.867 1.00 0.00 O ATOM 93 OD2 ASP A 7 1.186 3.641 12.676 1.00 0.00 O ATOM 0 H ASP A 7 1.770 4.950 9.054 1.00 0.00 H new ATOM 0 HA ASP A 7 1.267 2.098 8.638 1.00 0.00 H new ATOM 0 HB2 ASP A 7 2.580 2.080 10.477 1.00 0.00 H new ATOM 0 HB3 ASP A 7 2.501 3.828 10.586 1.00 0.00 H new ATOM 98 N SER A 8 -0.986 3.929 10.225 1.00 0.00 N ATOM 99 CA SER A 8 -2.430 3.925 10.617 1.00 0.00 C ATOM 100 C SER A 8 -3.342 3.750 9.395 1.00 0.00 C ATOM 101 O SER A 8 -4.448 3.261 9.510 1.00 0.00 O ATOM 102 CB SER A 8 -2.767 5.250 11.302 1.00 0.00 C ATOM 103 OG SER A 8 -4.122 5.585 11.034 1.00 0.00 O ATOM 0 H SER A 8 -0.471 4.769 10.487 1.00 0.00 H new ATOM 0 HA SER A 8 -2.597 3.087 11.294 1.00 0.00 H new ATOM 0 HB2 SER A 8 -2.606 5.168 12.377 1.00 0.00 H new ATOM 0 HB3 SER A 8 -2.107 6.038 10.940 1.00 0.00 H new ATOM 0 HG SER A 8 -4.342 6.433 11.473 1.00 0.00 H new ATOM 109 N LYS A 9 -2.911 4.163 8.236 1.00 0.00 N ATOM 110 CA LYS A 9 -3.784 4.032 7.036 1.00 0.00 C ATOM 111 C LYS A 9 -3.425 2.777 6.237 1.00 0.00 C ATOM 112 O LYS A 9 -4.263 2.217 5.557 1.00 0.00 O ATOM 113 CB LYS A 9 -3.615 5.268 6.149 1.00 0.00 C ATOM 114 CG LYS A 9 -4.202 6.488 6.862 1.00 0.00 C ATOM 115 CD LYS A 9 -3.937 7.746 6.031 1.00 0.00 C ATOM 116 CE LYS A 9 -3.767 8.949 6.961 1.00 0.00 C ATOM 117 NZ LYS A 9 -5.100 9.553 7.242 1.00 0.00 N ATOM 0 H LYS A 9 -1.997 4.583 8.068 1.00 0.00 H new ATOM 0 HA LYS A 9 -4.820 3.948 7.365 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -2.559 5.432 5.932 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -4.117 5.115 5.193 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -5.274 6.356 7.008 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -3.756 6.593 7.851 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -3.041 7.612 5.426 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -4.764 7.920 5.342 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -3.293 8.638 7.892 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -3.111 9.688 6.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -4.984 10.371 7.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -5.535 9.864 6.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -5.712 8.847 7.698 1.00 0.00 H new ATOM 131 N MET A 10 -2.196 2.328 6.286 1.00 0.00 N ATOM 132 CA MET A 10 -1.844 1.110 5.499 1.00 0.00 C ATOM 133 C MET A 10 -1.855 -0.130 6.391 1.00 0.00 C ATOM 134 O MET A 10 -1.692 -1.243 5.932 1.00 0.00 O ATOM 135 CB MET A 10 -0.494 1.295 4.804 1.00 0.00 C ATOM 136 CG MET A 10 -0.686 2.257 3.625 1.00 0.00 C ATOM 137 SD MET A 10 -0.642 3.966 4.219 1.00 0.00 S ATOM 138 CE MET A 10 -2.152 4.534 3.399 1.00 0.00 C ATOM 0 H MET A 10 -1.436 2.743 6.825 1.00 0.00 H new ATOM 0 HA MET A 10 -2.597 0.962 4.725 1.00 0.00 H new ATOM 0 HB2 MET A 10 0.241 1.693 5.503 1.00 0.00 H new ATOM 0 HB3 MET A 10 -0.113 0.336 4.453 1.00 0.00 H new ATOM 0 HG2 MET A 10 0.097 2.099 2.883 1.00 0.00 H new ATOM 0 HG3 MET A 10 -1.637 2.058 3.132 1.00 0.00 H new ATOM 0 HE1 MET A 10 -2.379 5.551 3.718 1.00 0.00 H new ATOM 0 HE2 MET A 10 -2.008 4.516 2.319 1.00 0.00 H new ATOM 0 HE3 MET A 10 -2.980 3.877 3.666 1.00 0.00 H new ATOM 148 N LYS A 11 -2.110 0.053 7.652 1.00 0.00 N ATOM 149 CA LYS A 11 -2.209 -1.100 8.566 1.00 0.00 C ATOM 150 C LYS A 11 -3.634 -1.707 8.511 1.00 0.00 C ATOM 151 O LYS A 11 -3.795 -2.861 8.855 1.00 0.00 O ATOM 152 CB LYS A 11 -1.879 -0.682 10.005 1.00 0.00 C ATOM 153 CG LYS A 11 -2.796 0.456 10.443 1.00 0.00 C ATOM 154 CD LYS A 11 -4.051 -0.111 11.113 1.00 0.00 C ATOM 155 CE LYS A 11 -3.744 -0.442 12.577 1.00 0.00 C ATOM 156 NZ LYS A 11 -5.003 -0.394 13.374 1.00 0.00 N ATOM 0 H LYS A 11 -2.255 0.964 8.088 1.00 0.00 H new ATOM 0 HA LYS A 11 -1.487 -1.851 8.246 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.997 -1.533 10.675 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.838 -0.366 10.071 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.269 1.113 11.135 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.076 1.061 9.581 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -4.865 0.612 11.056 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -4.383 -1.007 10.588 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.293 -1.432 12.650 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.021 0.268 12.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -4.794 -0.619 14.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.416 0.559 13.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -5.679 -1.088 12.997 1.00 0.00 H new ATOM 170 N PRO A 12 -4.641 -0.947 8.071 1.00 0.00 N ATOM 171 CA PRO A 12 -6.011 -1.472 7.979 1.00 0.00 C ATOM 172 C PRO A 12 -6.125 -2.306 6.700 1.00 0.00 C ATOM 173 O PRO A 12 -7.065 -3.051 6.504 1.00 0.00 O ATOM 174 CB PRO A 12 -6.887 -0.212 7.918 1.00 0.00 C ATOM 175 CG PRO A 12 -5.976 0.932 7.415 1.00 0.00 C ATOM 176 CD PRO A 12 -4.533 0.464 7.621 1.00 0.00 C ATOM 0 HA PRO A 12 -6.304 -2.117 8.807 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -7.732 -0.359 7.245 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -7.298 0.023 8.900 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -6.168 1.146 6.364 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -6.168 1.852 7.968 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -3.959 0.540 6.698 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -4.023 1.076 8.365 1.00 0.00 H new ATOM 184 N CYS A 13 -5.147 -2.187 5.839 1.00 0.00 N ATOM 185 CA CYS A 13 -5.143 -2.968 4.571 1.00 0.00 C ATOM 186 C CYS A 13 -4.645 -4.386 4.858 1.00 0.00 C ATOM 187 O CYS A 13 -4.580 -5.228 3.981 1.00 0.00 O ATOM 188 CB CYS A 13 -4.191 -2.291 3.582 1.00 0.00 C ATOM 189 SG CYS A 13 -5.144 -1.238 2.466 1.00 0.00 S ATOM 0 H CYS A 13 -4.342 -1.573 5.965 1.00 0.00 H new ATOM 0 HA CYS A 13 -6.149 -3.011 4.153 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -3.452 -1.697 4.119 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -3.644 -3.043 3.013 1.00 0.00 H new ATOM 194 N LEU A 14 -4.283 -4.649 6.083 1.00 0.00 N ATOM 195 CA LEU A 14 -3.772 -5.991 6.451 1.00 0.00 C ATOM 196 C LEU A 14 -4.927 -6.995 6.482 1.00 0.00 C ATOM 197 O LEU A 14 -4.916 -7.980 5.777 1.00 0.00 O ATOM 198 CB LEU A 14 -3.120 -5.882 7.826 1.00 0.00 C ATOM 199 CG LEU A 14 -2.133 -4.710 7.813 1.00 0.00 C ATOM 200 CD1 LEU A 14 -1.666 -4.409 9.236 1.00 0.00 C ATOM 201 CD2 LEU A 14 -0.927 -5.066 6.940 1.00 0.00 C ATOM 0 H LEU A 14 -4.322 -3.980 6.852 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.042 -6.339 5.720 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.879 -5.727 8.593 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.602 -6.809 8.073 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.628 -3.828 7.406 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.965 -3.575 9.220 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.526 -4.148 9.854 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.174 -5.289 9.651 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.225 -4.232 6.931 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.434 -5.951 7.344 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.262 -5.269 5.923 1.00 0.00 H new ATOM 213 N THR A 15 -5.924 -6.760 7.290 1.00 0.00 N ATOM 214 CA THR A 15 -7.069 -7.706 7.351 1.00 0.00 C ATOM 215 C THR A 15 -7.612 -7.973 5.945 1.00 0.00 C ATOM 216 O THR A 15 -8.325 -8.927 5.719 1.00 0.00 O ATOM 217 CB THR A 15 -8.185 -7.115 8.213 1.00 0.00 C ATOM 218 OG1 THR A 15 -7.758 -5.881 8.776 1.00 0.00 O ATOM 219 CG2 THR A 15 -8.518 -8.097 9.327 1.00 0.00 C ATOM 0 H THR A 15 -5.993 -5.953 7.910 1.00 0.00 H new ATOM 0 HA THR A 15 -6.722 -8.642 7.788 1.00 0.00 H new ATOM 0 HB THR A 15 -9.068 -6.937 7.599 1.00 0.00 H new ATOM 0 HG1 THR A 15 -8.477 -5.506 9.326 1.00 0.00 H new ATOM 0 HG21 THR A 15 -9.313 -7.686 9.949 1.00 0.00 H new ATOM 0 HG22 THR A 15 -8.848 -9.041 8.893 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.632 -8.268 9.938 1.00 0.00 H new ATOM 227 N TYR A 16 -7.298 -7.134 4.999 1.00 0.00 N ATOM 228 CA TYR A 16 -7.816 -7.349 3.621 1.00 0.00 C ATOM 229 C TYR A 16 -6.826 -8.206 2.821 1.00 0.00 C ATOM 230 O TYR A 16 -7.145 -9.294 2.382 1.00 0.00 O ATOM 231 CB TYR A 16 -8.012 -5.982 2.941 1.00 0.00 C ATOM 232 CG TYR A 16 -7.846 -6.105 1.442 1.00 0.00 C ATOM 233 CD1 TYR A 16 -8.919 -6.527 0.649 1.00 0.00 C ATOM 234 CD2 TYR A 16 -6.615 -5.799 0.849 1.00 0.00 C ATOM 235 CE1 TYR A 16 -8.761 -6.644 -0.737 1.00 0.00 C ATOM 236 CE2 TYR A 16 -6.457 -5.917 -0.536 1.00 0.00 C ATOM 237 CZ TYR A 16 -7.530 -6.339 -1.330 1.00 0.00 C ATOM 238 OH TYR A 16 -7.375 -6.454 -2.696 1.00 0.00 O ATOM 0 H TYR A 16 -6.707 -6.311 5.120 1.00 0.00 H new ATOM 0 HA TYR A 16 -8.771 -7.872 3.662 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -9.004 -5.594 3.172 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -7.290 -5.267 3.335 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -9.869 -6.762 1.106 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -5.787 -5.472 1.461 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -9.589 -6.970 -1.349 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -5.507 -5.682 -0.993 1.00 0.00 H new ATOM 0 HH TYR A 16 -6.420 -6.468 -2.917 1.00 0.00 H new ATOM 248 N VAL A 17 -5.642 -7.710 2.607 1.00 0.00 N ATOM 249 CA VAL A 17 -4.641 -8.475 1.809 1.00 0.00 C ATOM 250 C VAL A 17 -4.422 -9.879 2.389 1.00 0.00 C ATOM 251 O VAL A 17 -4.114 -10.804 1.668 1.00 0.00 O ATOM 252 CB VAL A 17 -3.319 -7.709 1.804 1.00 0.00 C ATOM 253 CG1 VAL A 17 -3.523 -6.354 1.124 1.00 0.00 C ATOM 254 CG2 VAL A 17 -2.850 -7.488 3.244 1.00 0.00 C ATOM 0 H VAL A 17 -5.321 -6.805 2.951 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.017 -8.586 0.792 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.568 -8.283 1.262 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.582 -5.804 1.118 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.859 -6.508 0.099 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.274 -5.782 1.670 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.907 -6.942 3.240 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -3.600 -6.913 3.787 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.708 -8.452 3.733 1.00 0.00 H new ATOM 264 N GLN A 18 -4.561 -10.053 3.676 1.00 0.00 N ATOM 265 CA GLN A 18 -4.333 -11.408 4.266 1.00 0.00 C ATOM 266 C GLN A 18 -5.642 -11.987 4.809 1.00 0.00 C ATOM 267 O GLN A 18 -5.764 -13.180 5.002 1.00 0.00 O ATOM 268 CB GLN A 18 -3.315 -11.305 5.408 1.00 0.00 C ATOM 269 CG GLN A 18 -3.805 -10.295 6.446 1.00 0.00 C ATOM 270 CD GLN A 18 -3.404 -10.759 7.848 1.00 0.00 C ATOM 271 OE1 GLN A 18 -3.226 -11.938 8.084 1.00 0.00 O ATOM 272 NE2 GLN A 18 -3.253 -9.875 8.795 1.00 0.00 N ATOM 0 H GLN A 18 -4.820 -9.324 4.341 1.00 0.00 H new ATOM 0 HA GLN A 18 -3.953 -12.067 3.485 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -3.176 -12.281 5.873 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -2.345 -10.998 5.017 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.378 -9.313 6.242 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.888 -10.191 6.383 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -3.402 -8.885 8.597 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -2.986 -10.173 9.733 1.00 0.00 H new ATOM 281 N GLY A 19 -6.617 -11.162 5.068 1.00 0.00 N ATOM 282 CA GLY A 19 -7.903 -11.690 5.609 1.00 0.00 C ATOM 283 C GLY A 19 -8.819 -12.119 4.462 1.00 0.00 C ATOM 284 O GLY A 19 -9.391 -13.190 4.486 1.00 0.00 O ATOM 0 H GLY A 19 -6.582 -10.152 4.930 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.709 -12.538 6.266 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -8.395 -10.926 6.211 1.00 0.00 H new ATOM 288 N GLY A 20 -8.967 -11.300 3.455 1.00 0.00 N ATOM 289 CA GLY A 20 -9.851 -11.687 2.321 1.00 0.00 C ATOM 290 C GLY A 20 -10.821 -10.549 1.982 1.00 0.00 C ATOM 291 O GLY A 20 -10.958 -10.184 0.831 1.00 0.00 O ATOM 0 H GLY A 20 -8.518 -10.388 3.370 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -9.246 -11.929 1.447 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -10.412 -12.585 2.580 1.00 0.00 H new ATOM 295 N PRO A 21 -11.483 -10.032 2.988 1.00 0.00 N ATOM 296 CA PRO A 21 -12.466 -8.948 2.810 1.00 0.00 C ATOM 297 C PRO A 21 -11.767 -7.598 2.640 1.00 0.00 C ATOM 298 O PRO A 21 -10.741 -7.336 3.234 1.00 0.00 O ATOM 299 CB PRO A 21 -13.280 -8.985 4.106 1.00 0.00 C ATOM 300 CG PRO A 21 -12.390 -9.681 5.164 1.00 0.00 C ATOM 301 CD PRO A 21 -11.317 -10.472 4.391 1.00 0.00 C ATOM 0 HA PRO A 21 -13.082 -9.076 1.920 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -13.547 -7.978 4.426 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -14.212 -9.531 3.963 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -11.928 -8.947 5.824 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -12.983 -10.346 5.792 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -10.316 -10.252 4.762 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -11.465 -11.547 4.491 1.00 0.00 H new ATOM 309 N GLY A 22 -12.319 -6.737 1.829 1.00 0.00 N ATOM 310 CA GLY A 22 -11.693 -5.404 1.616 1.00 0.00 C ATOM 311 C GLY A 22 -11.517 -5.155 0.114 1.00 0.00 C ATOM 312 O GLY A 22 -12.098 -5.846 -0.699 1.00 0.00 O ATOM 0 H GLY A 22 -13.178 -6.901 1.304 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -12.316 -4.624 2.054 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -10.727 -5.360 2.118 1.00 0.00 H new ATOM 316 N PRO A 23 -10.717 -4.170 -0.205 1.00 0.00 N ATOM 317 CA PRO A 23 -10.020 -3.342 0.797 1.00 0.00 C ATOM 318 C PRO A 23 -10.989 -2.334 1.420 1.00 0.00 C ATOM 319 O PRO A 23 -12.136 -2.240 1.031 1.00 0.00 O ATOM 320 CB PRO A 23 -8.936 -2.631 -0.018 1.00 0.00 C ATOM 321 CG PRO A 23 -9.419 -2.642 -1.487 1.00 0.00 C ATOM 322 CD PRO A 23 -10.441 -3.789 -1.604 1.00 0.00 C ATOM 0 HA PRO A 23 -9.611 -3.920 1.625 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -8.791 -1.610 0.336 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -7.978 -3.142 0.080 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -9.875 -1.688 -1.752 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -8.583 -2.797 -2.169 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -11.348 -3.464 -2.115 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -10.037 -4.626 -2.173 1.00 0.00 H new ATOM 330 N SER A 24 -10.537 -1.580 2.382 1.00 0.00 N ATOM 331 CA SER A 24 -11.430 -0.579 3.027 1.00 0.00 C ATOM 332 C SER A 24 -11.382 0.727 2.233 1.00 0.00 C ATOM 333 O SER A 24 -10.421 1.013 1.548 1.00 0.00 O ATOM 334 CB SER A 24 -10.955 -0.321 4.457 1.00 0.00 C ATOM 335 OG SER A 24 -11.502 -1.309 5.322 1.00 0.00 O ATOM 0 H SER A 24 -9.586 -1.614 2.750 1.00 0.00 H new ATOM 0 HA SER A 24 -12.452 -0.959 3.046 1.00 0.00 H new ATOM 0 HB2 SER A 24 -9.866 -0.346 4.500 1.00 0.00 H new ATOM 0 HB3 SER A 24 -11.264 0.673 4.781 1.00 0.00 H new ATOM 0 HG SER A 24 -11.197 -1.146 6.239 1.00 0.00 H new ATOM 341 N GLY A 25 -12.409 1.525 2.324 1.00 0.00 N ATOM 342 CA GLY A 25 -12.418 2.814 1.582 1.00 0.00 C ATOM 343 C GLY A 25 -11.259 3.677 2.074 1.00 0.00 C ATOM 344 O GLY A 25 -10.498 4.214 1.295 1.00 0.00 O ATOM 0 H GLY A 25 -13.243 1.339 2.881 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -12.325 2.633 0.511 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -13.365 3.331 1.737 1.00 0.00 H new ATOM 348 N GLU A 26 -11.116 3.810 3.364 1.00 0.00 N ATOM 349 CA GLU A 26 -10.013 4.625 3.913 1.00 0.00 C ATOM 350 C GLU A 26 -8.677 4.079 3.406 1.00 0.00 C ATOM 351 O GLU A 26 -7.785 4.820 3.052 1.00 0.00 O ATOM 352 CB GLU A 26 -10.066 4.547 5.436 1.00 0.00 C ATOM 353 CG GLU A 26 -10.377 3.113 5.874 1.00 0.00 C ATOM 354 CD GLU A 26 -9.237 2.587 6.749 1.00 0.00 C ATOM 355 OE1 GLU A 26 -8.231 2.179 6.194 1.00 0.00 O ATOM 356 OE2 GLU A 26 -9.390 2.601 7.959 1.00 0.00 O ATOM 0 H GLU A 26 -11.725 3.382 4.062 1.00 0.00 H new ATOM 0 HA GLU A 26 -10.112 5.663 3.594 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.114 4.867 5.859 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -10.828 5.226 5.817 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -11.316 3.086 6.427 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.503 2.474 5.000 1.00 0.00 H new ATOM 363 N CYS A 27 -8.533 2.787 3.354 1.00 0.00 N ATOM 364 CA CYS A 27 -7.256 2.210 2.855 1.00 0.00 C ATOM 365 C CYS A 27 -6.883 2.899 1.544 1.00 0.00 C ATOM 366 O CYS A 27 -5.739 3.218 1.295 1.00 0.00 O ATOM 367 CB CYS A 27 -7.444 0.715 2.601 1.00 0.00 C ATOM 368 SG CYS A 27 -6.368 -0.222 3.709 1.00 0.00 S ATOM 0 H CYS A 27 -9.240 2.107 3.634 1.00 0.00 H new ATOM 0 HA CYS A 27 -6.467 2.359 3.592 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -8.485 0.435 2.764 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -7.210 0.479 1.563 1.00 0.00 H new ATOM 373 N CYS A 28 -7.852 3.124 0.705 1.00 0.00 N ATOM 374 CA CYS A 28 -7.584 3.787 -0.600 1.00 0.00 C ATOM 375 C CYS A 28 -7.420 5.295 -0.391 1.00 0.00 C ATOM 376 O CYS A 28 -6.612 5.931 -1.037 1.00 0.00 O ATOM 377 CB CYS A 28 -8.759 3.523 -1.541 1.00 0.00 C ATOM 378 SG CYS A 28 -9.283 1.798 -1.370 1.00 0.00 S ATOM 0 H CYS A 28 -8.828 2.875 0.868 1.00 0.00 H new ATOM 0 HA CYS A 28 -6.667 3.388 -1.033 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -9.587 4.192 -1.305 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -8.468 3.727 -2.571 1.00 0.00 H new ATOM 383 N ASN A 29 -8.170 5.876 0.507 1.00 0.00 N ATOM 384 CA ASN A 29 -8.031 7.340 0.744 1.00 0.00 C ATOM 385 C ASN A 29 -6.726 7.595 1.505 1.00 0.00 C ATOM 386 O ASN A 29 -6.313 8.721 1.696 1.00 0.00 O ATOM 387 CB ASN A 29 -9.246 7.862 1.534 1.00 0.00 C ATOM 388 CG ASN A 29 -9.024 7.747 3.050 1.00 0.00 C ATOM 389 OD1 ASN A 29 -8.156 7.033 3.507 1.00 0.00 O ATOM 390 ND2 ASN A 29 -9.789 8.431 3.856 1.00 0.00 N ATOM 0 H ASN A 29 -8.867 5.404 1.082 1.00 0.00 H new ATOM 0 HA ASN A 29 -7.997 7.873 -0.206 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -9.433 8.903 1.271 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -10.135 7.298 1.252 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -9.656 8.364 4.865 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -10.520 9.033 3.477 1.00 0.00 H new ATOM 397 N GLY A 30 -6.071 6.546 1.929 1.00 0.00 N ATOM 398 CA GLY A 30 -4.787 6.708 2.662 1.00 0.00 C ATOM 399 C GLY A 30 -3.638 6.484 1.681 1.00 0.00 C ATOM 400 O GLY A 30 -2.780 7.328 1.512 1.00 0.00 O ATOM 0 H GLY A 30 -6.374 5.581 1.797 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.723 7.705 3.099 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.728 5.995 3.484 1.00 0.00 H new ATOM 404 N VAL A 31 -3.622 5.361 1.011 1.00 0.00 N ATOM 405 CA VAL A 31 -2.533 5.112 0.029 1.00 0.00 C ATOM 406 C VAL A 31 -2.597 6.214 -1.027 1.00 0.00 C ATOM 407 O VAL A 31 -1.588 6.725 -1.472 1.00 0.00 O ATOM 408 CB VAL A 31 -2.699 3.735 -0.622 1.00 0.00 C ATOM 409 CG1 VAL A 31 -1.435 3.395 -1.412 1.00 0.00 C ATOM 410 CG2 VAL A 31 -2.899 2.675 0.461 1.00 0.00 C ATOM 0 H VAL A 31 -4.310 4.614 1.102 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.565 5.123 0.529 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.564 3.753 -1.285 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.549 2.416 -1.877 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.275 4.147 -2.185 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.578 3.379 -0.738 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.017 1.697 -0.005 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.031 2.661 1.121 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.792 2.911 1.040 1.00 0.00 H new ATOM 420 N ARG A 32 -3.783 6.620 -1.395 1.00 0.00 N ATOM 421 CA ARG A 32 -3.912 7.726 -2.377 1.00 0.00 C ATOM 422 C ARG A 32 -3.271 8.954 -1.737 1.00 0.00 C ATOM 423 O ARG A 32 -2.668 9.776 -2.396 1.00 0.00 O ATOM 424 CB ARG A 32 -5.393 7.986 -2.655 1.00 0.00 C ATOM 425 CG ARG A 32 -5.538 8.966 -3.817 1.00 0.00 C ATOM 426 CD ARG A 32 -6.703 9.913 -3.531 1.00 0.00 C ATOM 427 NE ARG A 32 -7.969 9.319 -4.046 1.00 0.00 N ATOM 428 CZ ARG A 32 -8.531 9.806 -5.120 1.00 0.00 C ATOM 429 NH1 ARG A 32 -8.175 9.371 -6.297 1.00 0.00 N ATOM 430 NH2 ARG A 32 -9.452 10.726 -5.015 1.00 0.00 N ATOM 0 H ARG A 32 -4.664 6.232 -1.057 1.00 0.00 H new ATOM 0 HA ARG A 32 -3.427 7.484 -3.323 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -5.898 7.049 -2.892 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -5.874 8.390 -1.764 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -4.616 9.533 -3.948 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -5.714 8.424 -4.746 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -6.784 10.093 -2.459 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -6.524 10.879 -4.004 1.00 0.00 H new ATOM 0 HE ARG A 32 -8.397 8.531 -3.559 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -7.458 8.650 -6.379 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -8.614 9.751 -7.135 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -9.732 11.064 -4.094 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -9.891 11.106 -5.854 1.00 0.00 H new ATOM 444 N ASP A 33 -3.365 9.061 -0.436 1.00 0.00 N ATOM 445 CA ASP A 33 -2.719 10.205 0.257 1.00 0.00 C ATOM 446 C ASP A 33 -1.226 10.104 -0.025 1.00 0.00 C ATOM 447 O ASP A 33 -0.589 11.060 -0.417 1.00 0.00 O ATOM 448 CB ASP A 33 -2.966 10.121 1.766 1.00 0.00 C ATOM 449 CG ASP A 33 -2.459 11.398 2.439 1.00 0.00 C ATOM 450 OD1 ASP A 33 -1.256 11.604 2.443 1.00 0.00 O ATOM 451 OD2 ASP A 33 -3.281 12.148 2.940 1.00 0.00 O ATOM 0 H ASP A 33 -3.860 8.407 0.170 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.127 11.152 -0.097 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -4.030 9.991 1.964 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -2.456 9.252 2.181 1.00 0.00 H new ATOM 456 N LEU A 34 -0.667 8.930 0.132 1.00 0.00 N ATOM 457 CA LEU A 34 0.766 8.747 -0.173 1.00 0.00 C ATOM 458 C LEU A 34 0.979 9.216 -1.611 1.00 0.00 C ATOM 459 O LEU A 34 2.004 9.758 -1.972 1.00 0.00 O ATOM 460 CB LEU A 34 1.090 7.258 -0.081 1.00 0.00 C ATOM 461 CG LEU A 34 1.208 6.801 1.379 1.00 0.00 C ATOM 462 CD1 LEU A 34 0.161 7.492 2.252 1.00 0.00 C ATOM 463 CD2 LEU A 34 0.985 5.287 1.438 1.00 0.00 C ATOM 0 H LEU A 34 -1.151 8.094 0.460 1.00 0.00 H new ATOM 0 HA LEU A 34 1.399 9.304 0.517 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.312 6.683 -0.582 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.024 7.054 -0.605 1.00 0.00 H new ATOM 0 HG LEU A 34 2.199 7.061 1.752 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.265 7.152 3.282 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.307 8.571 2.210 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.836 7.246 1.887 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.066 4.947 2.471 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.008 5.050 1.055 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.738 4.784 0.831 1.00 0.00 H new ATOM 475 N HIS A 35 -0.016 8.993 -2.424 1.00 0.00 N ATOM 476 CA HIS A 35 0.036 9.392 -3.855 1.00 0.00 C ATOM 477 C HIS A 35 0.207 10.913 -3.978 1.00 0.00 C ATOM 478 O HIS A 35 1.261 11.406 -4.327 1.00 0.00 O ATOM 479 CB HIS A 35 -1.290 8.977 -4.495 1.00 0.00 C ATOM 480 CG HIS A 35 -1.052 8.045 -5.641 1.00 0.00 C ATOM 481 ND1 HIS A 35 -0.903 6.683 -5.454 1.00 0.00 N ATOM 482 CD2 HIS A 35 -0.978 8.252 -6.991 1.00 0.00 C ATOM 483 CE1 HIS A 35 -0.752 6.125 -6.664 1.00 0.00 C ATOM 484 NE2 HIS A 35 -0.787 7.036 -7.640 1.00 0.00 N ATOM 0 H HIS A 35 -0.886 8.538 -2.146 1.00 0.00 H new ATOM 0 HA HIS A 35 0.879 8.911 -4.350 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -1.923 8.493 -3.751 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -1.825 9.861 -4.843 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -1.056 9.212 -7.479 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -0.618 5.066 -6.829 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -0.694 6.875 -8.643 1.00 0.00 H new ATOM 492 N ASN A 36 -0.835 11.655 -3.710 1.00 0.00 N ATOM 493 CA ASN A 36 -0.762 13.143 -3.824 1.00 0.00 C ATOM 494 C ASN A 36 0.404 13.697 -3.000 1.00 0.00 C ATOM 495 O ASN A 36 0.882 14.786 -3.247 1.00 0.00 O ATOM 496 CB ASN A 36 -2.073 13.748 -3.317 1.00 0.00 C ATOM 497 CG ASN A 36 -3.243 13.151 -4.099 1.00 0.00 C ATOM 498 OD1 ASN A 36 -3.264 13.195 -5.314 1.00 0.00 O ATOM 499 ND2 ASN A 36 -4.225 12.587 -3.451 1.00 0.00 N ATOM 0 H ASN A 36 -1.741 11.292 -3.415 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.603 13.407 -4.869 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -2.192 13.546 -2.252 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -2.057 14.831 -3.436 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -5.009 12.184 -3.964 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -4.209 12.549 -2.432 1.00 0.00 H new ATOM 506 N GLN A 37 0.868 12.968 -2.024 1.00 0.00 N ATOM 507 CA GLN A 37 2.002 13.474 -1.198 1.00 0.00 C ATOM 508 C GLN A 37 3.311 13.256 -1.953 1.00 0.00 C ATOM 509 O GLN A 37 4.227 14.051 -1.875 1.00 0.00 O ATOM 510 CB GLN A 37 2.049 12.711 0.126 1.00 0.00 C ATOM 511 CG GLN A 37 0.881 13.151 1.011 1.00 0.00 C ATOM 512 CD GLN A 37 0.938 14.666 1.212 1.00 0.00 C ATOM 513 OE1 GLN A 37 0.278 15.408 0.512 1.00 0.00 O ATOM 514 NE2 GLN A 37 1.705 15.161 2.144 1.00 0.00 N ATOM 0 H GLN A 37 0.514 12.048 -1.762 1.00 0.00 H new ATOM 0 HA GLN A 37 1.864 14.537 -1.000 1.00 0.00 H new ATOM 0 HB2 GLN A 37 1.995 11.638 -0.058 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.995 12.900 0.633 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -0.065 12.870 0.549 1.00 0.00 H new ATOM 0 HG3 GLN A 37 0.929 12.643 1.974 1.00 0.00 H new ATOM 0 HE21 GLN A 37 2.259 14.539 2.732 1.00 0.00 H new ATOM 0 HE22 GLN A 37 1.750 16.170 2.285 1.00 0.00 H new ATOM 523 N ALA A 38 3.404 12.182 -2.683 1.00 0.00 N ATOM 524 CA ALA A 38 4.650 11.904 -3.447 1.00 0.00 C ATOM 525 C ALA A 38 4.866 13.005 -4.494 1.00 0.00 C ATOM 526 O ALA A 38 3.964 13.354 -5.230 1.00 0.00 O ATOM 527 CB ALA A 38 4.522 10.541 -4.135 1.00 0.00 C ATOM 0 H ALA A 38 2.669 11.482 -2.784 1.00 0.00 H new ATOM 0 HA ALA A 38 5.504 11.888 -2.770 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.432 10.330 -4.697 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.373 9.766 -3.383 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.670 10.555 -4.815 1.00 0.00 H new ATOM 533 N GLN A 39 6.051 13.565 -4.564 1.00 0.00 N ATOM 534 CA GLN A 39 6.301 14.650 -5.562 1.00 0.00 C ATOM 535 C GLN A 39 7.780 14.676 -5.981 1.00 0.00 C ATOM 536 O GLN A 39 8.098 14.900 -7.132 1.00 0.00 O ATOM 537 CB GLN A 39 5.929 16.000 -4.944 1.00 0.00 C ATOM 538 CG GLN A 39 4.413 16.198 -5.016 1.00 0.00 C ATOM 539 CD GLN A 39 4.067 17.637 -4.628 1.00 0.00 C ATOM 540 OE1 GLN A 39 4.771 18.257 -3.856 1.00 0.00 O ATOM 541 NE2 GLN A 39 3.003 18.200 -5.135 1.00 0.00 N ATOM 0 H GLN A 39 6.849 13.319 -3.978 1.00 0.00 H new ATOM 0 HA GLN A 39 5.691 14.458 -6.445 1.00 0.00 H new ATOM 0 HB2 GLN A 39 6.262 16.041 -3.907 1.00 0.00 H new ATOM 0 HB3 GLN A 39 6.437 16.806 -5.474 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.055 15.986 -6.024 1.00 0.00 H new ATOM 0 HG3 GLN A 39 3.912 15.499 -4.346 1.00 0.00 H new ATOM 0 HE21 GLN A 39 2.411 17.681 -5.783 1.00 0.00 H new ATOM 0 HE22 GLN A 39 2.764 19.159 -4.883 1.00 0.00 H new ATOM 579 N ASP A 43 8.875 10.150 -3.111 1.00 0.00 N ATOM 580 CA ASP A 43 8.441 10.159 -1.699 1.00 0.00 C ATOM 581 C ASP A 43 7.844 8.797 -1.406 1.00 0.00 C ATOM 582 O ASP A 43 7.084 8.615 -0.477 1.00 0.00 O ATOM 583 CB ASP A 43 7.401 11.257 -1.480 1.00 0.00 C ATOM 584 CG ASP A 43 7.912 12.238 -0.423 1.00 0.00 C ATOM 585 OD1 ASP A 43 8.694 13.106 -0.778 1.00 0.00 O ATOM 586 OD2 ASP A 43 7.516 12.104 0.723 1.00 0.00 O ATOM 0 HA ASP A 43 9.280 10.359 -1.033 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.208 11.782 -2.416 1.00 0.00 H new ATOM 0 HB3 ASP A 43 6.456 10.819 -1.159 1.00 0.00 H new ATOM 591 N ARG A 44 8.192 7.833 -2.213 1.00 0.00 N ATOM 592 CA ARG A 44 7.667 6.476 -2.015 1.00 0.00 C ATOM 593 C ARG A 44 8.588 5.730 -1.064 1.00 0.00 C ATOM 594 O ARG A 44 8.177 5.294 -0.017 1.00 0.00 O ATOM 595 CB ARG A 44 7.627 5.760 -3.353 1.00 0.00 C ATOM 596 CG ARG A 44 6.207 5.790 -3.906 1.00 0.00 C ATOM 597 CD ARG A 44 6.065 6.979 -4.854 1.00 0.00 C ATOM 598 NE ARG A 44 4.645 7.424 -4.889 1.00 0.00 N ATOM 599 CZ ARG A 44 4.217 8.158 -5.879 1.00 0.00 C ATOM 600 NH1 ARG A 44 5.060 8.870 -6.576 1.00 0.00 N ATOM 601 NH2 ARG A 44 2.946 8.180 -6.171 1.00 0.00 N ATOM 0 H ARG A 44 8.825 7.940 -3.006 1.00 0.00 H new ATOM 0 HA ARG A 44 6.662 6.517 -1.596 1.00 0.00 H new ATOM 0 HB2 ARG A 44 8.311 6.239 -4.054 1.00 0.00 H new ATOM 0 HB3 ARG A 44 7.961 4.729 -3.235 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.989 4.861 -4.433 1.00 0.00 H new ATOM 0 HG3 ARG A 44 5.488 5.871 -3.091 1.00 0.00 H new ATOM 0 HD2 ARG A 44 6.705 7.798 -4.525 1.00 0.00 H new ATOM 0 HD3 ARG A 44 6.394 6.700 -5.855 1.00 0.00 H new ATOM 0 HE ARG A 44 4.007 7.155 -4.140 1.00 0.00 H new ATOM 0 HH11 ARG A 44 6.054 8.853 -6.347 1.00 0.00 H new ATOM 0 HH12 ARG A 44 4.725 9.444 -7.350 1.00 0.00 H new ATOM 0 HH21 ARG A 44 2.288 7.624 -5.626 1.00 0.00 H new ATOM 0 HH22 ARG A 44 2.610 8.754 -6.945 1.00 0.00 H new ATOM 615 N GLN A 45 9.839 5.594 -1.437 1.00 0.00 N ATOM 616 CA GLN A 45 10.838 4.881 -0.576 1.00 0.00 C ATOM 617 C GLN A 45 10.383 4.891 0.884 1.00 0.00 C ATOM 618 O GLN A 45 10.211 3.861 1.492 1.00 0.00 O ATOM 619 CB GLN A 45 12.193 5.581 -0.689 1.00 0.00 C ATOM 620 CG GLN A 45 12.560 5.744 -2.165 1.00 0.00 C ATOM 621 CD GLN A 45 12.271 7.180 -2.609 1.00 0.00 C ATOM 622 OE1 GLN A 45 12.884 8.112 -2.127 1.00 0.00 O ATOM 623 NE2 GLN A 45 11.357 7.401 -3.515 1.00 0.00 N ATOM 0 H GLN A 45 10.216 5.952 -2.315 1.00 0.00 H new ATOM 0 HA GLN A 45 10.924 3.848 -0.913 1.00 0.00 H new ATOM 0 HB2 GLN A 45 12.152 6.556 -0.203 1.00 0.00 H new ATOM 0 HB3 GLN A 45 12.959 5.000 -0.175 1.00 0.00 H new ATOM 0 HG2 GLN A 45 13.614 5.511 -2.316 1.00 0.00 H new ATOM 0 HG3 GLN A 45 11.988 5.043 -2.772 1.00 0.00 H new ATOM 0 HE21 GLN A 45 10.842 6.620 -3.921 1.00 0.00 H new ATOM 0 HE22 GLN A 45 11.159 8.355 -3.817 1.00 0.00 H new ATOM 632 N THR A 46 10.155 6.049 1.438 1.00 0.00 N ATOM 633 CA THR A 46 9.683 6.115 2.851 1.00 0.00 C ATOM 634 C THR A 46 8.328 5.404 2.951 1.00 0.00 C ATOM 635 O THR A 46 8.150 4.470 3.708 1.00 0.00 O ATOM 636 CB THR A 46 9.559 7.598 3.272 1.00 0.00 C ATOM 637 OG1 THR A 46 10.476 7.860 4.329 1.00 0.00 O ATOM 638 CG2 THR A 46 8.127 7.932 3.738 1.00 0.00 C ATOM 0 H THR A 46 10.274 6.951 0.976 1.00 0.00 H new ATOM 0 HA THR A 46 10.390 5.622 3.518 1.00 0.00 H new ATOM 0 HB THR A 46 9.787 8.222 2.408 1.00 0.00 H new ATOM 0 HG1 THR A 46 10.404 8.799 4.600 1.00 0.00 H new ATOM 0 HG21 THR A 46 8.074 8.982 4.027 1.00 0.00 H new ATOM 0 HG22 THR A 46 7.426 7.744 2.925 1.00 0.00 H new ATOM 0 HG23 THR A 46 7.867 7.307 4.592 1.00 0.00 H new ATOM 646 N VAL A 47 7.375 5.858 2.190 1.00 0.00 N ATOM 647 CA VAL A 47 6.019 5.247 2.219 1.00 0.00 C ATOM 648 C VAL A 47 6.082 3.794 1.754 1.00 0.00 C ATOM 649 O VAL A 47 5.942 2.870 2.533 1.00 0.00 O ATOM 650 CB VAL A 47 5.119 6.021 1.269 1.00 0.00 C ATOM 651 CG1 VAL A 47 3.736 5.398 1.296 1.00 0.00 C ATOM 652 CG2 VAL A 47 5.038 7.482 1.712 1.00 0.00 C ATOM 0 H VAL A 47 7.479 6.637 1.540 1.00 0.00 H new ATOM 0 HA VAL A 47 5.632 5.281 3.237 1.00 0.00 H new ATOM 0 HB VAL A 47 5.523 5.982 0.257 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.078 5.943 0.619 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.800 4.357 0.980 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.335 5.446 2.308 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.392 8.034 1.029 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.628 7.534 2.721 1.00 0.00 H new ATOM 0 HG23 VAL A 47 6.036 7.921 1.702 1.00 0.00 H new ATOM 662 N CYS A 48 6.279 3.598 0.481 1.00 0.00 N ATOM 663 CA CYS A 48 6.356 2.228 -0.074 1.00 0.00 C ATOM 664 C CYS A 48 7.132 1.327 0.907 1.00 0.00 C ATOM 665 O CYS A 48 6.633 0.304 1.345 1.00 0.00 O ATOM 666 CB CYS A 48 7.046 2.306 -1.447 1.00 0.00 C ATOM 667 SG CYS A 48 7.890 0.748 -1.833 1.00 0.00 S ATOM 0 H CYS A 48 6.391 4.344 -0.205 1.00 0.00 H new ATOM 0 HA CYS A 48 5.364 1.796 -0.205 1.00 0.00 H new ATOM 0 HB2 CYS A 48 6.308 2.526 -2.218 1.00 0.00 H new ATOM 0 HB3 CYS A 48 7.765 3.125 -1.452 1.00 0.00 H new ATOM 672 N ASN A 49 8.336 1.696 1.277 1.00 0.00 N ATOM 673 CA ASN A 49 9.091 0.843 2.241 1.00 0.00 C ATOM 674 C ASN A 49 8.193 0.562 3.441 1.00 0.00 C ATOM 675 O ASN A 49 8.082 -0.553 3.896 1.00 0.00 O ATOM 676 CB ASN A 49 10.357 1.554 2.728 1.00 0.00 C ATOM 677 CG ASN A 49 11.399 1.598 1.607 1.00 0.00 C ATOM 678 OD1 ASN A 49 11.436 0.727 0.762 1.00 0.00 O ATOM 679 ND2 ASN A 49 12.253 2.584 1.567 1.00 0.00 N ATOM 0 H ASN A 49 8.819 2.536 0.958 1.00 0.00 H new ATOM 0 HA ASN A 49 9.382 -0.082 1.743 1.00 0.00 H new ATOM 0 HB2 ASN A 49 10.114 2.567 3.049 1.00 0.00 H new ATOM 0 HB3 ASN A 49 10.765 1.034 3.595 1.00 0.00 H new ATOM 0 HD21 ASN A 49 12.952 2.623 0.825 1.00 0.00 H new ATOM 0 HD22 ASN A 49 12.221 3.315 2.277 1.00 0.00 H new ATOM 686 N CYS A 50 7.552 1.571 3.961 1.00 0.00 N ATOM 687 CA CYS A 50 6.660 1.358 5.134 1.00 0.00 C ATOM 688 C CYS A 50 5.632 0.269 4.803 1.00 0.00 C ATOM 689 O CYS A 50 5.630 -0.789 5.402 1.00 0.00 O ATOM 690 CB CYS A 50 5.939 2.663 5.481 1.00 0.00 C ATOM 691 SG CYS A 50 7.070 3.749 6.380 1.00 0.00 S ATOM 0 H CYS A 50 7.607 2.533 3.625 1.00 0.00 H new ATOM 0 HA CYS A 50 7.257 1.043 5.990 1.00 0.00 H new ATOM 0 HB2 CYS A 50 5.592 3.153 4.571 1.00 0.00 H new ATOM 0 HB3 CYS A 50 5.057 2.455 6.087 1.00 0.00 H new ATOM 696 N LEU A 51 4.755 0.511 3.859 1.00 0.00 N ATOM 697 CA LEU A 51 3.740 -0.527 3.518 1.00 0.00 C ATOM 698 C LEU A 51 4.422 -1.895 3.425 1.00 0.00 C ATOM 699 O LEU A 51 3.821 -2.914 3.701 1.00 0.00 O ATOM 700 CB LEU A 51 3.062 -0.203 2.175 1.00 0.00 C ATOM 701 CG LEU A 51 2.789 1.305 2.056 1.00 0.00 C ATOM 702 CD1 LEU A 51 1.693 1.540 1.005 1.00 0.00 C ATOM 703 CD2 LEU A 51 2.322 1.859 3.407 1.00 0.00 C ATOM 0 H LEU A 51 4.700 1.373 3.317 1.00 0.00 H new ATOM 0 HA LEU A 51 2.980 -0.542 4.299 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.699 -0.529 1.352 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.126 -0.755 2.092 1.00 0.00 H new ATOM 0 HG LEU A 51 3.705 1.814 1.757 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.496 2.608 0.917 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.023 1.152 0.042 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.781 1.027 1.309 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.130 2.928 3.315 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.407 1.351 3.712 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.096 1.692 4.156 1.00 0.00 H new ATOM 715 N LYS A 52 5.673 -1.933 3.044 1.00 0.00 N ATOM 716 CA LYS A 52 6.373 -3.246 2.944 1.00 0.00 C ATOM 717 C LYS A 52 6.581 -3.815 4.345 1.00 0.00 C ATOM 718 O LYS A 52 6.235 -4.943 4.627 1.00 0.00 O ATOM 719 CB LYS A 52 7.734 -3.058 2.271 1.00 0.00 C ATOM 720 CG LYS A 52 8.549 -4.345 2.404 1.00 0.00 C ATOM 721 CD LYS A 52 9.642 -4.363 1.335 1.00 0.00 C ATOM 722 CE LYS A 52 10.686 -5.424 1.685 1.00 0.00 C ATOM 723 NZ LYS A 52 11.847 -5.302 0.758 1.00 0.00 N ATOM 0 H LYS A 52 6.235 -1.118 2.800 1.00 0.00 H new ATOM 0 HA LYS A 52 5.768 -3.932 2.351 1.00 0.00 H new ATOM 0 HB2 LYS A 52 7.600 -2.807 1.219 1.00 0.00 H new ATOM 0 HB3 LYS A 52 8.268 -2.227 2.732 1.00 0.00 H new ATOM 0 HG2 LYS A 52 8.994 -4.406 3.397 1.00 0.00 H new ATOM 0 HG3 LYS A 52 7.900 -5.213 2.292 1.00 0.00 H new ATOM 0 HD2 LYS A 52 9.206 -4.576 0.359 1.00 0.00 H new ATOM 0 HD3 LYS A 52 10.114 -3.383 1.267 1.00 0.00 H new ATOM 0 HE2 LYS A 52 11.016 -5.299 2.716 1.00 0.00 H new ATOM 0 HE3 LYS A 52 10.249 -6.419 1.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 12.558 -6.023 0.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 11.526 -5.441 -0.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 12.269 -4.356 0.852 1.00 0.00 H new ATOM 737 N GLY A 53 7.149 -3.038 5.223 1.00 0.00 N ATOM 738 CA GLY A 53 7.388 -3.519 6.608 1.00 0.00 C ATOM 739 C GLY A 53 6.074 -4.005 7.216 1.00 0.00 C ATOM 740 O GLY A 53 6.016 -5.040 7.850 1.00 0.00 O ATOM 0 H GLY A 53 7.459 -2.084 5.038 1.00 0.00 H new ATOM 0 HA2 GLY A 53 8.119 -4.328 6.602 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.806 -2.716 7.215 1.00 0.00 H new ATOM 744 N ILE A 54 5.014 -3.268 7.022 1.00 0.00 N ATOM 745 CA ILE A 54 3.701 -3.692 7.584 1.00 0.00 C ATOM 746 C ILE A 54 3.308 -5.031 6.960 1.00 0.00 C ATOM 747 O ILE A 54 3.206 -6.039 7.632 1.00 0.00 O ATOM 748 CB ILE A 54 2.639 -2.642 7.252 1.00 0.00 C ATOM 749 CG1 ILE A 54 3.128 -1.261 7.694 1.00 0.00 C ATOM 750 CG2 ILE A 54 1.342 -2.979 7.989 1.00 0.00 C ATOM 751 CD1 ILE A 54 2.190 -0.186 7.141 1.00 0.00 C ATOM 0 H ILE A 54 5.001 -2.392 6.499 1.00 0.00 H new ATOM 0 HA ILE A 54 3.777 -3.795 8.667 1.00 0.00 H new ATOM 0 HB ILE A 54 2.459 -2.637 6.177 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.160 -1.206 8.782 1.00 0.00 H new ATOM 0 HG13 ILE A 54 4.144 -1.091 7.336 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.585 -2.231 7.753 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.991 -3.962 7.676 1.00 0.00 H new ATOM 0 HG23 ILE A 54 1.525 -2.984 9.064 1.00 0.00 H new ATOM 0 HD11 ILE A 54 2.538 0.798 7.456 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.181 -0.236 6.052 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.182 -0.353 7.521 1.00 0.00 H new ATOM 763 N ALA A 55 3.099 -5.047 5.674 1.00 0.00 N ATOM 764 CA ALA A 55 2.726 -6.314 4.990 1.00 0.00 C ATOM 765 C ALA A 55 3.711 -7.413 5.397 1.00 0.00 C ATOM 766 O ALA A 55 3.416 -8.589 5.316 1.00 0.00 O ATOM 767 CB ALA A 55 2.789 -6.102 3.476 1.00 0.00 C ATOM 0 H ALA A 55 3.171 -4.232 5.065 1.00 0.00 H new ATOM 0 HA ALA A 55 1.716 -6.608 5.275 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.517 -7.027 2.967 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.094 -5.312 3.190 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.801 -5.815 3.191 1.00 0.00 H new ATOM 773 N ARG A 56 4.880 -7.033 5.840 1.00 0.00 N ATOM 774 CA ARG A 56 5.890 -8.044 6.260 1.00 0.00 C ATOM 775 C ARG A 56 5.735 -8.314 7.756 1.00 0.00 C ATOM 776 O ARG A 56 6.691 -8.295 8.505 1.00 0.00 O ATOM 777 CB ARG A 56 7.296 -7.506 5.984 1.00 0.00 C ATOM 778 CG ARG A 56 7.970 -8.364 4.912 1.00 0.00 C ATOM 779 CD ARG A 56 8.033 -9.818 5.385 1.00 0.00 C ATOM 780 NE ARG A 56 9.440 -10.304 5.310 1.00 0.00 N ATOM 781 CZ ARG A 56 10.119 -10.510 6.405 1.00 0.00 C ATOM 782 NH1 ARG A 56 10.802 -9.535 6.941 1.00 0.00 N ATOM 783 NH2 ARG A 56 10.115 -11.689 6.965 1.00 0.00 N ATOM 0 H ARG A 56 5.179 -6.062 5.929 1.00 0.00 H new ATOM 0 HA ARG A 56 5.739 -8.968 5.701 1.00 0.00 H new ATOM 0 HB2 ARG A 56 7.241 -6.469 5.653 1.00 0.00 H new ATOM 0 HB3 ARG A 56 7.888 -7.518 6.899 1.00 0.00 H new ATOM 0 HG2 ARG A 56 7.414 -8.299 3.977 1.00 0.00 H new ATOM 0 HG3 ARG A 56 8.975 -7.992 4.712 1.00 0.00 H new ATOM 0 HD2 ARG A 56 7.664 -9.895 6.408 1.00 0.00 H new ATOM 0 HD3 ARG A 56 7.388 -10.441 4.766 1.00 0.00 H new ATOM 0 HE ARG A 56 9.872 -10.476 4.402 1.00 0.00 H new ATOM 0 HH11 ARG A 56 10.804 -8.613 6.504 1.00 0.00 H new ATOM 0 HH12 ARG A 56 11.333 -9.695 7.797 1.00 0.00 H new ATOM 0 HH21 ARG A 56 9.581 -12.451 6.547 1.00 0.00 H new ATOM 0 HH22 ARG A 56 10.646 -11.849 7.821 1.00 0.00 H new ATOM 797 N GLY A 57 4.535 -8.574 8.194 1.00 0.00 N ATOM 798 CA GLY A 57 4.308 -8.853 9.638 1.00 0.00 C ATOM 799 C GLY A 57 3.052 -9.704 9.755 1.00 0.00 C ATOM 800 O GLY A 57 2.384 -9.728 10.770 1.00 0.00 O ATOM 0 H GLY A 57 3.699 -8.605 7.611 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.164 -9.375 10.066 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.192 -7.922 10.193 1.00 0.00 H new ATOM 804 N ILE A 58 2.727 -10.390 8.701 1.00 0.00 N ATOM 805 CA ILE A 58 1.515 -11.240 8.695 1.00 0.00 C ATOM 806 C ILE A 58 1.938 -12.703 8.513 1.00 0.00 C ATOM 807 O ILE A 58 2.967 -12.992 7.935 1.00 0.00 O ATOM 808 CB ILE A 58 0.624 -10.785 7.536 1.00 0.00 C ATOM 809 CG1 ILE A 58 -0.168 -9.547 7.959 1.00 0.00 C ATOM 810 CG2 ILE A 58 -0.345 -11.893 7.152 1.00 0.00 C ATOM 811 CD1 ILE A 58 -1.022 -9.065 6.786 1.00 0.00 C ATOM 0 H ILE A 58 3.259 -10.397 7.831 1.00 0.00 H new ATOM 0 HA ILE A 58 0.964 -11.151 9.631 1.00 0.00 H new ATOM 0 HB ILE A 58 1.253 -10.548 6.678 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.803 -9.782 8.813 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.513 -8.757 8.276 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.973 -11.557 6.327 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.215 -12.776 6.845 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.973 -12.140 8.008 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.587 -8.183 7.086 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.376 -8.814 5.945 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.712 -9.855 6.490 1.00 0.00 H new ATOM 823 N HIS A 59 1.161 -13.626 9.009 1.00 0.00 N ATOM 824 CA HIS A 59 1.533 -15.064 8.870 1.00 0.00 C ATOM 825 C HIS A 59 0.885 -15.646 7.613 1.00 0.00 C ATOM 826 O HIS A 59 1.342 -16.631 7.068 1.00 0.00 O ATOM 827 CB HIS A 59 1.048 -15.836 10.098 1.00 0.00 C ATOM 828 CG HIS A 59 1.441 -17.283 9.972 1.00 0.00 C ATOM 829 ND1 HIS A 59 2.766 -17.688 9.914 1.00 0.00 N ATOM 830 CD2 HIS A 59 0.695 -18.431 9.890 1.00 0.00 C ATOM 831 CE1 HIS A 59 2.775 -19.029 9.804 1.00 0.00 C ATOM 832 NE2 HIS A 59 1.539 -19.533 9.784 1.00 0.00 N ATOM 0 H HIS A 59 0.287 -13.448 9.503 1.00 0.00 H new ATOM 0 HA HIS A 59 2.617 -15.150 8.789 1.00 0.00 H new ATOM 0 HB2 HIS A 59 1.480 -15.409 11.003 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -0.035 -15.749 10.190 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -0.384 -18.474 9.905 1.00 0.00 H new ATOM 0 HE1 HIS A 59 3.673 -19.625 9.740 1.00 0.00 H new ATOM 0 HE2 HIS A 59 1.271 -20.514 9.708 1.00 0.00 H new ATOM 840 N ASN A 60 -0.178 -15.051 7.149 1.00 0.00 N ATOM 841 CA ASN A 60 -0.852 -15.577 5.930 1.00 0.00 C ATOM 842 C ASN A 60 -1.228 -14.413 5.010 1.00 0.00 C ATOM 843 O ASN A 60 -2.388 -14.087 4.854 1.00 0.00 O ATOM 844 CB ASN A 60 -2.117 -16.335 6.337 1.00 0.00 C ATOM 845 CG ASN A 60 -2.017 -17.785 5.861 1.00 0.00 C ATOM 846 OD1 ASN A 60 -1.177 -18.531 6.322 1.00 0.00 O ATOM 847 ND2 ASN A 60 -2.846 -18.218 4.951 1.00 0.00 N ATOM 0 H ASN A 60 -0.609 -14.223 7.561 1.00 0.00 H new ATOM 0 HA ASN A 60 -0.177 -16.251 5.403 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.240 -16.304 7.420 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -2.995 -15.858 5.902 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -2.789 -19.183 4.627 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.551 -17.591 4.564 1.00 0.00 H new ATOM 854 N LEU A 61 -0.261 -13.784 4.398 1.00 0.00 N ATOM 855 CA LEU A 61 -0.580 -12.645 3.491 1.00 0.00 C ATOM 856 C LEU A 61 -1.022 -13.184 2.134 1.00 0.00 C ATOM 857 O LEU A 61 -0.548 -14.201 1.669 1.00 0.00 O ATOM 858 CB LEU A 61 0.651 -11.754 3.304 1.00 0.00 C ATOM 859 CG LEU A 61 0.230 -10.450 2.620 1.00 0.00 C ATOM 860 CD1 LEU A 61 0.282 -9.301 3.629 1.00 0.00 C ATOM 861 CD2 LEU A 61 1.178 -10.149 1.459 1.00 0.00 C ATOM 0 H LEU A 61 0.730 -14.008 4.486 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.382 -12.055 3.935 1.00 0.00 H new ATOM 0 HB2 LEU A 61 1.110 -11.540 4.269 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.400 -12.269 2.702 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.786 -10.555 2.241 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.018 -8.374 3.140 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.397 -9.512 4.456 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.298 -9.198 4.011 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.876 -9.221 0.974 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.195 -10.047 1.837 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.139 -10.965 0.737 1.00 0.00 H new ATOM 873 N ASN A 62 -1.928 -12.503 1.495 1.00 0.00 N ATOM 874 CA ASN A 62 -2.408 -12.962 0.166 1.00 0.00 C ATOM 875 C ASN A 62 -1.875 -12.018 -0.912 1.00 0.00 C ATOM 876 O ASN A 62 -2.137 -10.833 -0.896 1.00 0.00 O ATOM 877 CB ASN A 62 -3.938 -12.955 0.147 1.00 0.00 C ATOM 878 CG ASN A 62 -4.448 -14.279 -0.423 1.00 0.00 C ATOM 879 OD1 ASN A 62 -3.667 -15.135 -0.791 1.00 0.00 O ATOM 880 ND2 ASN A 62 -5.733 -14.486 -0.512 1.00 0.00 N ATOM 0 H ASN A 62 -2.359 -11.644 1.838 1.00 0.00 H new ATOM 0 HA ASN A 62 -2.051 -13.974 -0.026 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -4.324 -12.809 1.156 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -4.301 -12.123 -0.457 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -6.083 -15.366 -0.890 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -6.388 -13.768 -0.203 1.00 0.00 H new ATOM 887 N LEU A 63 -1.139 -12.535 -1.855 1.00 0.00 N ATOM 888 CA LEU A 63 -0.602 -11.666 -2.938 1.00 0.00 C ATOM 889 C LEU A 63 -1.697 -11.457 -3.981 1.00 0.00 C ATOM 890 O LEU A 63 -1.512 -10.785 -4.976 1.00 0.00 O ATOM 891 CB LEU A 63 0.614 -12.336 -3.581 1.00 0.00 C ATOM 892 CG LEU A 63 1.443 -13.030 -2.498 1.00 0.00 C ATOM 893 CD1 LEU A 63 2.799 -13.442 -3.072 1.00 0.00 C ATOM 894 CD2 LEU A 63 1.661 -12.068 -1.329 1.00 0.00 C ATOM 0 H LEU A 63 -0.886 -13.521 -1.923 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.294 -10.704 -2.529 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.291 -13.061 -4.328 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.221 -11.593 -4.099 1.00 0.00 H new ATOM 0 HG LEU A 63 0.912 -13.916 -2.151 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.387 -13.936 -2.298 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.648 -14.127 -3.906 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.330 -12.557 -3.422 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.251 -12.561 -0.557 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.191 -11.182 -1.680 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.696 -11.774 -0.915 1.00 0.00 H new ATOM 906 N ASN A 64 -2.849 -12.015 -3.735 1.00 0.00 N ATOM 907 CA ASN A 64 -3.986 -11.855 -4.663 1.00 0.00 C ATOM 908 C ASN A 64 -4.744 -10.613 -4.223 1.00 0.00 C ATOM 909 O ASN A 64 -4.913 -9.668 -4.967 1.00 0.00 O ATOM 910 CB ASN A 64 -4.878 -13.081 -4.531 1.00 0.00 C ATOM 911 CG ASN A 64 -4.019 -14.344 -4.587 1.00 0.00 C ATOM 912 OD1 ASN A 64 -3.916 -14.980 -5.617 1.00 0.00 O ATOM 913 ND2 ASN A 64 -3.395 -14.735 -3.508 1.00 0.00 N ATOM 0 H ASN A 64 -3.047 -12.585 -2.912 1.00 0.00 H new ATOM 0 HA ASN A 64 -3.662 -11.755 -5.699 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -5.428 -13.044 -3.591 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -5.617 -13.095 -5.333 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -2.819 -15.577 -3.529 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -3.484 -14.199 -2.645 1.00 0.00 H new ATOM 920 N ASN A 65 -5.155 -10.597 -2.987 1.00 0.00 N ATOM 921 CA ASN A 65 -5.850 -9.405 -2.451 1.00 0.00 C ATOM 922 C ASN A 65 -4.813 -8.298 -2.369 1.00 0.00 C ATOM 923 O ASN A 65 -5.097 -7.129 -2.543 1.00 0.00 O ATOM 924 CB ASN A 65 -6.359 -9.709 -1.045 1.00 0.00 C ATOM 925 CG ASN A 65 -7.763 -10.303 -1.121 1.00 0.00 C ATOM 926 OD1 ASN A 65 -8.741 -9.585 -1.205 1.00 0.00 O ATOM 927 ND2 ASN A 65 -7.901 -11.598 -1.097 1.00 0.00 N ATOM 0 H ASN A 65 -5.037 -11.364 -2.325 1.00 0.00 H new ATOM 0 HA ASN A 65 -6.692 -9.121 -3.082 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -5.685 -10.407 -0.547 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -6.372 -8.797 -0.448 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -8.831 -12.013 -1.149 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -7.079 -12.197 -1.027 1.00 0.00 H new ATOM 934 N ALA A 66 -3.597 -8.688 -2.106 1.00 0.00 N ATOM 935 CA ALA A 66 -2.484 -7.702 -2.004 1.00 0.00 C ATOM 936 C ALA A 66 -2.001 -7.322 -3.407 1.00 0.00 C ATOM 937 O ALA A 66 -1.003 -6.648 -3.569 1.00 0.00 O ATOM 938 CB ALA A 66 -1.324 -8.320 -1.218 1.00 0.00 C ATOM 0 H ALA A 66 -3.324 -9.659 -1.956 1.00 0.00 H new ATOM 0 HA ALA A 66 -2.840 -6.810 -1.489 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.510 -7.599 -1.143 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.664 -8.588 -0.218 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.971 -9.214 -1.733 1.00 0.00 H new ATOM 944 N ALA A 67 -2.699 -7.746 -4.423 1.00 0.00 N ATOM 945 CA ALA A 67 -2.280 -7.402 -5.810 1.00 0.00 C ATOM 946 C ALA A 67 -3.328 -6.476 -6.434 1.00 0.00 C ATOM 947 O ALA A 67 -3.106 -5.875 -7.466 1.00 0.00 O ATOM 948 CB ALA A 67 -2.166 -8.682 -6.640 1.00 0.00 C ATOM 0 H ALA A 67 -3.542 -8.316 -4.353 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.313 -6.900 -5.790 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -1.859 -8.431 -7.655 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -1.425 -9.343 -6.190 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.132 -9.186 -6.667 1.00 0.00 H new ATOM 954 N SER A 68 -4.472 -6.362 -5.812 1.00 0.00 N ATOM 955 CA SER A 68 -5.541 -5.480 -6.365 1.00 0.00 C ATOM 956 C SER A 68 -5.788 -4.305 -5.412 1.00 0.00 C ATOM 957 O SER A 68 -6.767 -3.594 -5.531 1.00 0.00 O ATOM 958 CB SER A 68 -6.832 -6.286 -6.519 1.00 0.00 C ATOM 959 OG SER A 68 -7.449 -5.953 -7.757 1.00 0.00 O ATOM 0 H SER A 68 -4.712 -6.842 -4.945 1.00 0.00 H new ATOM 0 HA SER A 68 -5.227 -5.097 -7.336 1.00 0.00 H new ATOM 0 HB2 SER A 68 -6.614 -7.353 -6.483 1.00 0.00 H new ATOM 0 HB3 SER A 68 -7.509 -6.071 -5.692 1.00 0.00 H new ATOM 0 HG SER A 68 -8.276 -6.469 -7.860 1.00 0.00 H new ATOM 965 N ILE A 69 -4.908 -4.088 -4.473 1.00 0.00 N ATOM 966 CA ILE A 69 -5.105 -2.950 -3.522 1.00 0.00 C ATOM 967 C ILE A 69 -5.276 -1.642 -4.302 1.00 0.00 C ATOM 968 O ILE A 69 -6.172 -0.875 -4.016 1.00 0.00 O ATOM 969 CB ILE A 69 -3.909 -2.799 -2.573 1.00 0.00 C ATOM 970 CG1 ILE A 69 -3.221 -4.145 -2.355 1.00 0.00 C ATOM 971 CG2 ILE A 69 -4.392 -2.263 -1.225 1.00 0.00 C ATOM 972 CD1 ILE A 69 -1.965 -4.199 -3.221 1.00 0.00 C ATOM 0 H ILE A 69 -4.066 -4.643 -4.321 1.00 0.00 H new ATOM 0 HA ILE A 69 -5.998 -3.164 -2.935 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.198 -2.105 -3.021 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -2.961 -4.270 -1.304 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -3.895 -4.961 -2.616 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -3.542 -2.156 -0.551 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -4.866 -1.292 -1.368 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -5.112 -2.959 -0.794 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.463 -5.156 -3.075 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.241 -4.090 -4.270 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.292 -3.390 -2.937 1.00 0.00 H new ATOM 984 N PRO A 70 -4.404 -1.415 -5.258 1.00 0.00 N ATOM 985 CA PRO A 70 -4.441 -0.194 -6.079 1.00 0.00 C ATOM 986 C PRO A 70 -5.521 -0.308 -7.160 1.00 0.00 C ATOM 987 O PRO A 70 -6.483 0.433 -7.170 1.00 0.00 O ATOM 988 CB PRO A 70 -3.045 -0.139 -6.703 1.00 0.00 C ATOM 989 CG PRO A 70 -2.497 -1.584 -6.677 1.00 0.00 C ATOM 990 CD PRO A 70 -3.306 -2.342 -5.610 1.00 0.00 C ATOM 0 HA PRO A 70 -4.681 0.702 -5.506 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -3.091 0.240 -7.724 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -2.395 0.533 -6.142 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -2.605 -2.057 -7.653 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -1.434 -1.591 -6.435 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -3.691 -3.285 -5.998 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -2.693 -2.581 -4.741 1.00 0.00 H new ATOM 998 N SER A 71 -5.371 -1.231 -8.070 1.00 0.00 N ATOM 999 CA SER A 71 -6.390 -1.389 -9.146 1.00 0.00 C ATOM 1000 C SER A 71 -7.791 -1.318 -8.534 1.00 0.00 C ATOM 1001 O SER A 71 -8.744 -0.939 -9.185 1.00 0.00 O ATOM 1002 CB SER A 71 -6.199 -2.742 -9.833 1.00 0.00 C ATOM 1003 OG SER A 71 -6.656 -2.655 -11.177 1.00 0.00 O ATOM 0 H SER A 71 -4.587 -1.882 -8.115 1.00 0.00 H new ATOM 0 HA SER A 71 -6.274 -0.591 -9.879 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.147 -3.028 -9.812 1.00 0.00 H new ATOM 0 HB3 SER A 71 -6.751 -3.515 -9.298 1.00 0.00 H new ATOM 0 HG SER A 71 -6.534 -3.520 -11.621 1.00 0.00 H new ATOM 1009 N LYS A 72 -7.924 -1.677 -7.287 1.00 0.00 N ATOM 1010 CA LYS A 72 -9.263 -1.627 -6.635 1.00 0.00 C ATOM 1011 C LYS A 72 -9.433 -0.283 -5.927 1.00 0.00 C ATOM 1012 O LYS A 72 -10.510 0.277 -5.883 1.00 0.00 O ATOM 1013 CB LYS A 72 -9.373 -2.757 -5.610 1.00 0.00 C ATOM 1014 CG LYS A 72 -10.847 -3.061 -5.344 1.00 0.00 C ATOM 1015 CD LYS A 72 -11.198 -4.431 -5.927 1.00 0.00 C ATOM 1016 CE LYS A 72 -10.437 -5.520 -5.168 1.00 0.00 C ATOM 1017 NZ LYS A 72 -10.557 -6.812 -5.901 1.00 0.00 N ATOM 0 H LYS A 72 -7.163 -2.003 -6.691 1.00 0.00 H new ATOM 0 HA LYS A 72 -10.040 -1.743 -7.391 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -8.868 -3.649 -5.980 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -8.876 -2.471 -4.683 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -11.044 -3.049 -4.272 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -11.475 -2.291 -5.793 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -12.272 -4.605 -5.854 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -10.941 -4.464 -6.986 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -9.388 -5.243 -5.067 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -10.838 -5.623 -4.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -10.040 -7.553 -5.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -11.560 -7.077 -5.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -10.155 -6.709 -6.855 1.00 0.00 H new ATOM 1031 N CYS A 73 -8.375 0.235 -5.369 1.00 0.00 N ATOM 1032 CA CYS A 73 -8.469 1.539 -4.657 1.00 0.00 C ATOM 1033 C CYS A 73 -8.381 2.686 -5.666 1.00 0.00 C ATOM 1034 O CYS A 73 -8.388 3.845 -5.302 1.00 0.00 O ATOM 1035 CB CYS A 73 -7.319 1.649 -3.652 1.00 0.00 C ATOM 1036 SG CYS A 73 -7.750 0.741 -2.149 1.00 0.00 S ATOM 0 H CYS A 73 -7.448 -0.189 -5.375 1.00 0.00 H new ATOM 0 HA CYS A 73 -9.422 1.599 -4.131 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -6.403 1.246 -4.084 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -7.126 2.695 -3.416 1.00 0.00 H new ATOM 1041 N ASN A 74 -8.300 2.374 -6.931 1.00 0.00 N ATOM 1042 CA ASN A 74 -8.213 3.451 -7.956 1.00 0.00 C ATOM 1043 C ASN A 74 -7.069 4.403 -7.598 1.00 0.00 C ATOM 1044 O ASN A 74 -7.149 5.595 -7.818 1.00 0.00 O ATOM 1045 CB ASN A 74 -9.530 4.231 -7.988 1.00 0.00 C ATOM 1046 CG ASN A 74 -10.424 3.687 -9.103 1.00 0.00 C ATOM 1047 OD1 ASN A 74 -11.243 4.402 -9.644 1.00 0.00 O ATOM 1048 ND2 ASN A 74 -10.302 2.440 -9.472 1.00 0.00 N ATOM 0 H ASN A 74 -8.290 1.422 -7.298 1.00 0.00 H new ATOM 0 HA ASN A 74 -8.027 3.008 -8.934 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -10.038 4.146 -7.027 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -9.333 5.290 -8.151 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -10.894 2.067 -10.214 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -9.614 1.839 -9.018 1.00 0.00 H new ATOM 1055 N VAL A 75 -6.005 3.885 -7.047 1.00 0.00 N ATOM 1056 CA VAL A 75 -4.854 4.763 -6.675 1.00 0.00 C ATOM 1057 C VAL A 75 -3.761 4.623 -7.726 1.00 0.00 C ATOM 1058 O VAL A 75 -3.021 5.545 -8.007 1.00 0.00 O ATOM 1059 CB VAL A 75 -4.295 4.360 -5.302 1.00 0.00 C ATOM 1060 CG1 VAL A 75 -4.205 5.595 -4.404 1.00 0.00 C ATOM 1061 CG2 VAL A 75 -5.212 3.325 -4.644 1.00 0.00 C ATOM 0 H VAL A 75 -5.881 2.894 -6.838 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.196 5.797 -6.625 1.00 0.00 H new ATOM 0 HB VAL A 75 -3.303 3.928 -5.437 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -3.808 5.309 -3.430 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -3.545 6.331 -4.863 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.198 6.027 -4.279 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -4.807 3.046 -3.671 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.207 3.751 -4.514 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -5.276 2.440 -5.278 1.00 0.00 H new ATOM 1071 N ASN A 76 -3.665 3.471 -8.309 1.00 0.00 N ATOM 1072 CA ASN A 76 -2.632 3.237 -9.356 1.00 0.00 C ATOM 1073 C ASN A 76 -1.236 3.250 -8.729 1.00 0.00 C ATOM 1074 O ASN A 76 -0.255 3.543 -9.384 1.00 0.00 O ATOM 1075 CB ASN A 76 -2.724 4.331 -10.419 1.00 0.00 C ATOM 1076 CG ASN A 76 -3.016 3.697 -11.780 1.00 0.00 C ATOM 1077 OD1 ASN A 76 -3.728 4.264 -12.586 1.00 0.00 O ATOM 1078 ND2 ASN A 76 -2.494 2.537 -12.074 1.00 0.00 N ATOM 0 H ASN A 76 -4.262 2.669 -8.107 1.00 0.00 H new ATOM 0 HA ASN A 76 -2.807 2.264 -9.816 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -3.511 5.039 -10.160 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -1.791 4.892 -10.460 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -2.684 2.107 -12.979 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -1.897 2.061 -11.398 1.00 0.00 H new ATOM 1085 N VAL A 77 -1.132 2.920 -7.471 1.00 0.00 N ATOM 1086 CA VAL A 77 0.208 2.900 -6.821 1.00 0.00 C ATOM 1087 C VAL A 77 0.903 1.591 -7.219 1.00 0.00 C ATOM 1088 O VAL A 77 0.245 0.590 -7.421 1.00 0.00 O ATOM 1089 CB VAL A 77 0.035 2.999 -5.289 1.00 0.00 C ATOM 1090 CG1 VAL A 77 -0.183 1.608 -4.675 1.00 0.00 C ATOM 1091 CG2 VAL A 77 1.272 3.654 -4.672 1.00 0.00 C ATOM 0 H VAL A 77 -1.914 2.664 -6.868 1.00 0.00 H new ATOM 0 HA VAL A 77 0.817 3.745 -7.143 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.843 3.609 -5.076 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.302 1.701 -3.596 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.080 1.158 -5.102 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.678 0.976 -4.891 1.00 0.00 H new ATOM 0 HG21 VAL A 77 1.147 3.722 -3.591 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.153 3.053 -4.898 1.00 0.00 H new ATOM 0 HG23 VAL A 77 1.399 4.654 -5.086 1.00 0.00 H new ATOM 1101 N PRO A 78 2.205 1.630 -7.334 1.00 0.00 N ATOM 1102 CA PRO A 78 2.994 0.454 -7.724 1.00 0.00 C ATOM 1103 C PRO A 78 3.316 -0.335 -6.466 1.00 0.00 C ATOM 1104 O PRO A 78 3.312 -1.549 -6.438 1.00 0.00 O ATOM 1105 CB PRO A 78 4.270 1.064 -8.301 1.00 0.00 C ATOM 1106 CG PRO A 78 4.393 2.479 -7.687 1.00 0.00 C ATOM 1107 CD PRO A 78 3.022 2.833 -7.082 1.00 0.00 C ATOM 0 HA PRO A 78 2.494 -0.213 -8.426 1.00 0.00 H new ATOM 0 HB2 PRO A 78 5.139 0.455 -8.051 1.00 0.00 H new ATOM 0 HB3 PRO A 78 4.219 1.115 -9.389 1.00 0.00 H new ATOM 0 HG2 PRO A 78 5.169 2.500 -6.921 1.00 0.00 H new ATOM 0 HG3 PRO A 78 4.677 3.206 -8.448 1.00 0.00 H new ATOM 0 HD2 PRO A 78 3.099 3.049 -6.016 1.00 0.00 H new ATOM 0 HD3 PRO A 78 2.592 3.715 -7.556 1.00 0.00 H new ATOM 1115 N TYR A 79 3.596 0.385 -5.425 1.00 0.00 N ATOM 1116 CA TYR A 79 3.929 -0.223 -4.133 1.00 0.00 C ATOM 1117 C TYR A 79 2.658 -0.319 -3.291 1.00 0.00 C ATOM 1118 O TYR A 79 1.748 0.469 -3.431 1.00 0.00 O ATOM 1119 CB TYR A 79 4.929 0.693 -3.443 1.00 0.00 C ATOM 1120 CG TYR A 79 4.242 1.974 -3.061 1.00 0.00 C ATOM 1121 CD1 TYR A 79 3.383 1.999 -1.957 1.00 0.00 C ATOM 1122 CD2 TYR A 79 4.461 3.130 -3.810 1.00 0.00 C ATOM 1123 CE1 TYR A 79 2.739 3.184 -1.599 1.00 0.00 C ATOM 1124 CE2 TYR A 79 3.818 4.321 -3.454 1.00 0.00 C ATOM 1125 CZ TYR A 79 2.956 4.349 -2.347 1.00 0.00 C ATOM 1126 OH TYR A 79 2.322 5.523 -1.996 1.00 0.00 O ATOM 0 H TYR A 79 3.606 1.405 -5.425 1.00 0.00 H new ATOM 0 HA TYR A 79 4.349 -1.220 -4.262 1.00 0.00 H new ATOM 0 HB2 TYR A 79 5.336 0.206 -2.557 1.00 0.00 H new ATOM 0 HB3 TYR A 79 5.769 0.900 -4.106 1.00 0.00 H new ATOM 0 HD1 TYR A 79 3.218 1.100 -1.381 1.00 0.00 H new ATOM 0 HD2 TYR A 79 5.125 3.106 -4.662 1.00 0.00 H new ATOM 0 HE1 TYR A 79 2.075 3.203 -0.748 1.00 0.00 H new ATOM 0 HE2 TYR A 79 3.985 5.218 -4.031 1.00 0.00 H new ATOM 0 HH TYR A 79 2.583 6.234 -2.618 1.00 0.00 H new ATOM 1136 N THR A 80 2.595 -1.266 -2.413 1.00 0.00 N ATOM 1137 CA THR A 80 1.392 -1.415 -1.553 1.00 0.00 C ATOM 1138 C THR A 80 1.787 -2.255 -0.345 1.00 0.00 C ATOM 1139 O THR A 80 2.804 -2.913 -0.358 1.00 0.00 O ATOM 1140 CB THR A 80 0.273 -2.127 -2.329 1.00 0.00 C ATOM 1141 OG1 THR A 80 0.268 -3.504 -1.983 1.00 0.00 O ATOM 1142 CG2 THR A 80 0.498 -1.984 -3.840 1.00 0.00 C ATOM 0 H THR A 80 3.331 -1.953 -2.249 1.00 0.00 H new ATOM 0 HA THR A 80 1.028 -0.436 -1.242 1.00 0.00 H new ATOM 0 HB THR A 80 -0.684 -1.673 -2.070 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.636 -4.029 -2.724 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.302 -2.493 -4.377 1.00 0.00 H new ATOM 0 HG22 THR A 80 0.501 -0.928 -4.109 1.00 0.00 H new ATOM 0 HG23 THR A 80 1.456 -2.429 -4.109 1.00 0.00 H new ATOM 1150 N ILE A 81 1.009 -2.252 0.697 1.00 0.00 N ATOM 1151 CA ILE A 81 1.386 -3.077 1.875 1.00 0.00 C ATOM 1152 C ILE A 81 1.673 -4.511 1.402 1.00 0.00 C ATOM 1153 O ILE A 81 0.794 -5.340 1.300 1.00 0.00 O ATOM 1154 CB ILE A 81 0.259 -3.052 2.922 1.00 0.00 C ATOM 1155 CG1 ILE A 81 -0.946 -3.883 2.460 1.00 0.00 C ATOM 1156 CG2 ILE A 81 -0.191 -1.609 3.150 1.00 0.00 C ATOM 1157 CD1 ILE A 81 -1.245 -3.613 0.984 1.00 0.00 C ATOM 0 H ILE A 81 0.141 -1.723 0.785 1.00 0.00 H new ATOM 0 HA ILE A 81 2.282 -2.672 2.345 1.00 0.00 H new ATOM 0 HB ILE A 81 0.644 -3.481 3.847 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.743 -4.944 2.608 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -1.819 -3.638 3.065 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -0.990 -1.590 3.892 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.651 -1.017 3.508 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -0.556 -1.189 2.213 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -2.102 -4.210 0.671 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -1.469 -2.555 0.846 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -0.377 -3.881 0.382 1.00 0.00 H new ATOM 1169 N SER A 82 2.911 -4.803 1.094 1.00 0.00 N ATOM 1170 CA SER A 82 3.259 -6.170 0.612 1.00 0.00 C ATOM 1171 C SER A 82 4.759 -6.422 0.811 1.00 0.00 C ATOM 1172 O SER A 82 5.535 -5.494 0.891 1.00 0.00 O ATOM 1173 CB SER A 82 2.918 -6.286 -0.875 1.00 0.00 C ATOM 1174 OG SER A 82 3.718 -7.304 -1.463 1.00 0.00 O ATOM 0 H SER A 82 3.694 -4.153 1.156 1.00 0.00 H new ATOM 0 HA SER A 82 2.690 -6.908 1.178 1.00 0.00 H new ATOM 0 HB2 SER A 82 1.861 -6.521 -1.000 1.00 0.00 H new ATOM 0 HB3 SER A 82 3.095 -5.334 -1.376 1.00 0.00 H new ATOM 0 HG SER A 82 3.500 -7.382 -2.415 1.00 0.00 H new ATOM 1180 N PRO A 83 5.118 -7.677 0.898 1.00 0.00 N ATOM 1181 CA PRO A 83 6.514 -8.100 1.096 1.00 0.00 C ATOM 1182 C PRO A 83 7.244 -8.249 -0.248 1.00 0.00 C ATOM 1183 O PRO A 83 8.208 -8.981 -0.348 1.00 0.00 O ATOM 1184 CB PRO A 83 6.367 -9.476 1.750 1.00 0.00 C ATOM 1185 CG PRO A 83 4.966 -10.005 1.347 1.00 0.00 C ATOM 1186 CD PRO A 83 4.163 -8.795 0.832 1.00 0.00 C ATOM 0 HA PRO A 83 7.089 -7.384 1.684 1.00 0.00 H new ATOM 0 HB2 PRO A 83 7.150 -10.153 1.410 1.00 0.00 H new ATOM 0 HB3 PRO A 83 6.457 -9.403 2.834 1.00 0.00 H new ATOM 0 HG2 PRO A 83 5.049 -10.770 0.575 1.00 0.00 H new ATOM 0 HG3 PRO A 83 4.467 -10.465 2.200 1.00 0.00 H new ATOM 0 HD2 PRO A 83 3.808 -8.956 -0.186 1.00 0.00 H new ATOM 0 HD3 PRO A 83 3.285 -8.607 1.450 1.00 0.00 H new ATOM 1194 N ASP A 84 6.797 -7.591 -1.287 1.00 0.00 N ATOM 1195 CA ASP A 84 7.493 -7.758 -2.601 1.00 0.00 C ATOM 1196 C ASP A 84 7.393 -6.486 -3.454 1.00 0.00 C ATOM 1197 O ASP A 84 7.802 -6.472 -4.597 1.00 0.00 O ATOM 1198 CB ASP A 84 6.849 -8.920 -3.361 1.00 0.00 C ATOM 1199 CG ASP A 84 7.693 -9.260 -4.591 1.00 0.00 C ATOM 1200 OD1 ASP A 84 7.562 -8.565 -5.585 1.00 0.00 O ATOM 1201 OD2 ASP A 84 8.454 -10.211 -4.519 1.00 0.00 O ATOM 0 H ASP A 84 5.997 -6.958 -1.286 1.00 0.00 H new ATOM 0 HA ASP A 84 8.547 -7.959 -2.408 1.00 0.00 H new ATOM 0 HB2 ASP A 84 6.767 -9.792 -2.712 1.00 0.00 H new ATOM 0 HB3 ASP A 84 5.837 -8.653 -3.665 1.00 0.00 H new ATOM 1206 N ILE A 85 6.855 -5.423 -2.928 1.00 0.00 N ATOM 1207 CA ILE A 85 6.744 -4.177 -3.750 1.00 0.00 C ATOM 1208 C ILE A 85 8.129 -3.573 -3.986 1.00 0.00 C ATOM 1209 O ILE A 85 9.136 -4.107 -3.565 1.00 0.00 O ATOM 1210 CB ILE A 85 5.865 -3.148 -3.039 1.00 0.00 C ATOM 1211 CG1 ILE A 85 6.570 -2.646 -1.766 1.00 0.00 C ATOM 1212 CG2 ILE A 85 4.516 -3.776 -2.698 1.00 0.00 C ATOM 1213 CD1 ILE A 85 6.360 -3.610 -0.594 1.00 0.00 C ATOM 0 H ILE A 85 6.490 -5.357 -1.978 1.00 0.00 H new ATOM 0 HA ILE A 85 6.293 -4.439 -4.707 1.00 0.00 H new ATOM 0 HB ILE A 85 5.697 -2.295 -3.697 1.00 0.00 H new ATOM 0 HG12 ILE A 85 7.637 -2.533 -1.959 1.00 0.00 H new ATOM 0 HG13 ILE A 85 6.188 -1.660 -1.501 1.00 0.00 H new ATOM 0 HG21 ILE A 85 3.890 -3.041 -2.191 1.00 0.00 H new ATOM 0 HG22 ILE A 85 4.024 -4.101 -3.615 1.00 0.00 H new ATOM 0 HG23 ILE A 85 4.669 -4.635 -2.044 1.00 0.00 H new ATOM 0 HD11 ILE A 85 6.871 -3.226 0.289 1.00 0.00 H new ATOM 0 HD12 ILE A 85 5.294 -3.702 -0.385 1.00 0.00 H new ATOM 0 HD13 ILE A 85 6.766 -4.589 -0.851 1.00 0.00 H new ATOM 1225 N ASP A 86 8.177 -2.453 -4.656 1.00 0.00 N ATOM 1226 CA ASP A 86 9.484 -1.790 -4.927 1.00 0.00 C ATOM 1227 C ASP A 86 9.283 -0.273 -4.907 1.00 0.00 C ATOM 1228 O ASP A 86 8.436 0.259 -5.596 1.00 0.00 O ATOM 1229 CB ASP A 86 9.999 -2.222 -6.302 1.00 0.00 C ATOM 1230 CG ASP A 86 11.461 -1.796 -6.456 1.00 0.00 C ATOM 1231 OD1 ASP A 86 12.137 -1.693 -5.446 1.00 0.00 O ATOM 1232 OD2 ASP A 86 11.878 -1.579 -7.582 1.00 0.00 O ATOM 0 H ASP A 86 7.362 -1.967 -5.029 1.00 0.00 H new ATOM 0 HA ASP A 86 10.210 -2.076 -4.166 1.00 0.00 H new ATOM 0 HB2 ASP A 86 9.910 -3.303 -6.412 1.00 0.00 H new ATOM 0 HB3 ASP A 86 9.393 -1.771 -7.088 1.00 0.00 H new ATOM 1237 N CYS A 87 10.047 0.426 -4.114 1.00 0.00 N ATOM 1238 CA CYS A 87 9.889 1.907 -4.043 1.00 0.00 C ATOM 1239 C CYS A 87 10.793 2.571 -5.085 1.00 0.00 C ATOM 1240 O CYS A 87 10.769 3.772 -5.265 1.00 0.00 O ATOM 1241 CB CYS A 87 10.255 2.405 -2.639 1.00 0.00 C ATOM 1242 SG CYS A 87 9.825 1.139 -1.420 1.00 0.00 S ATOM 0 H CYS A 87 10.773 0.037 -3.513 1.00 0.00 H new ATOM 0 HA CYS A 87 8.851 2.168 -4.251 1.00 0.00 H new ATOM 0 HB2 CYS A 87 11.321 2.628 -2.587 1.00 0.00 H new ATOM 0 HB3 CYS A 87 9.724 3.331 -2.420 1.00 0.00 H new ATOM 1247 N SER A 88 11.582 1.799 -5.781 1.00 0.00 N ATOM 1248 CA SER A 88 12.475 2.387 -6.819 1.00 0.00 C ATOM 1249 C SER A 88 11.816 2.242 -8.194 1.00 0.00 C ATOM 1250 O SER A 88 12.458 2.372 -9.217 1.00 0.00 O ATOM 1251 CB SER A 88 13.810 1.652 -6.817 1.00 0.00 C ATOM 1252 OG SER A 88 13.781 0.625 -5.835 1.00 0.00 O ATOM 0 H SER A 88 11.647 0.787 -5.676 1.00 0.00 H new ATOM 0 HA SER A 88 12.642 3.442 -6.602 1.00 0.00 H new ATOM 0 HB2 SER A 88 14.004 1.225 -7.801 1.00 0.00 H new ATOM 0 HB3 SER A 88 14.621 2.349 -6.607 1.00 0.00 H new ATOM 0 HG SER A 88 14.638 0.150 -5.833 1.00 0.00 H new ATOM 1258 N ARG A 89 10.540 1.963 -8.225 1.00 0.00 N ATOM 1259 CA ARG A 89 9.845 1.799 -9.534 1.00 0.00 C ATOM 1260 C ARG A 89 8.767 2.875 -9.694 1.00 0.00 C ATOM 1261 O ARG A 89 8.018 2.876 -10.650 1.00 0.00 O ATOM 1262 CB ARG A 89 9.193 0.415 -9.592 1.00 0.00 C ATOM 1263 CG ARG A 89 10.279 -0.658 -9.676 1.00 0.00 C ATOM 1264 CD ARG A 89 10.628 -0.913 -11.142 1.00 0.00 C ATOM 1265 NE ARG A 89 11.423 -2.168 -11.252 1.00 0.00 N ATOM 1266 CZ ARG A 89 12.267 -2.319 -12.234 1.00 0.00 C ATOM 1267 NH1 ARG A 89 11.845 -2.284 -13.469 1.00 0.00 N ATOM 1268 NH2 ARG A 89 13.534 -2.502 -11.983 1.00 0.00 N ATOM 0 H ARG A 89 9.950 1.842 -7.402 1.00 0.00 H new ATOM 0 HA ARG A 89 10.572 1.899 -10.340 1.00 0.00 H new ATOM 0 HB2 ARG A 89 8.576 0.255 -8.708 1.00 0.00 H new ATOM 0 HB3 ARG A 89 8.533 0.348 -10.457 1.00 0.00 H new ATOM 0 HG2 ARG A 89 11.166 -0.337 -9.130 1.00 0.00 H new ATOM 0 HG3 ARG A 89 9.933 -1.579 -9.208 1.00 0.00 H new ATOM 0 HD2 ARG A 89 9.717 -0.994 -11.735 1.00 0.00 H new ATOM 0 HD3 ARG A 89 11.196 -0.074 -11.543 1.00 0.00 H new ATOM 0 HE ARG A 89 11.307 -2.908 -10.560 1.00 0.00 H new ATOM 0 HH11 ARG A 89 10.855 -2.138 -13.666 1.00 0.00 H new ATOM 0 HH12 ARG A 89 12.506 -2.402 -14.237 1.00 0.00 H new ATOM 0 HH21 ARG A 89 13.864 -2.527 -11.018 1.00 0.00 H new ATOM 0 HH22 ARG A 89 14.194 -2.620 -12.751 1.00 0.00 H new ATOM 1282 N ILE A 90 8.680 3.791 -8.771 1.00 0.00 N ATOM 1283 CA ILE A 90 7.649 4.862 -8.883 1.00 0.00 C ATOM 1284 C ILE A 90 8.312 6.153 -9.364 1.00 0.00 C ATOM 1285 O ILE A 90 9.347 6.552 -8.867 1.00 0.00 O ATOM 1286 CB ILE A 90 7.004 5.103 -7.516 1.00 0.00 C ATOM 1287 CG1 ILE A 90 6.989 3.800 -6.722 1.00 0.00 C ATOM 1288 CG2 ILE A 90 5.563 5.589 -7.700 1.00 0.00 C ATOM 1289 CD1 ILE A 90 8.270 3.679 -5.907 1.00 0.00 C ATOM 0 H ILE A 90 9.276 3.845 -7.945 1.00 0.00 H new ATOM 0 HA ILE A 90 6.883 4.553 -9.594 1.00 0.00 H new ATOM 0 HB ILE A 90 7.579 5.858 -6.980 1.00 0.00 H new ATOM 0 HG12 ILE A 90 6.123 3.776 -6.061 1.00 0.00 H new ATOM 0 HG13 ILE A 90 6.896 2.951 -7.400 1.00 0.00 H new ATOM 0 HG21 ILE A 90 5.109 5.759 -6.724 1.00 0.00 H new ATOM 0 HG22 ILE A 90 5.563 6.520 -8.267 1.00 0.00 H new ATOM 0 HG23 ILE A 90 4.991 4.835 -8.240 1.00 0.00 H new ATOM 0 HD11 ILE A 90 8.255 2.747 -5.342 1.00 0.00 H new ATOM 0 HD12 ILE A 90 9.129 3.683 -6.577 1.00 0.00 H new ATOM 0 HD13 ILE A 90 8.344 4.520 -5.218 1.00 0.00 H new ATOM 1301 N TYR A 91 7.729 6.810 -10.327 1.00 0.00 N ATOM 1302 CA TYR A 91 8.333 8.073 -10.834 1.00 0.00 C ATOM 1303 C TYR A 91 7.302 9.200 -10.753 1.00 0.00 C ATOM 1304 O TYR A 91 6.964 9.743 -11.792 1.00 0.00 O ATOM 1305 CB TYR A 91 8.770 7.880 -12.287 1.00 0.00 C ATOM 1306 CG TYR A 91 9.657 6.661 -12.383 1.00 0.00 C ATOM 1307 CD1 TYR A 91 10.982 6.724 -11.936 1.00 0.00 C ATOM 1308 CD2 TYR A 91 9.152 5.468 -12.914 1.00 0.00 C ATOM 1309 CE1 TYR A 91 11.803 5.593 -12.021 1.00 0.00 C ATOM 1310 CE2 TYR A 91 9.974 4.338 -12.999 1.00 0.00 C ATOM 1311 CZ TYR A 91 11.299 4.400 -12.552 1.00 0.00 C ATOM 1312 OH TYR A 91 12.109 3.286 -12.636 1.00 0.00 O ATOM 1313 OXT TYR A 91 6.869 9.502 -9.653 1.00 0.00 O ATOM 0 H TYR A 91 6.862 6.528 -10.784 1.00 0.00 H new ATOM 0 HA TYR A 91 9.200 8.332 -10.226 1.00 0.00 H new ATOM 0 HB2 TYR A 91 7.897 7.760 -12.929 1.00 0.00 H new ATOM 0 HB3 TYR A 91 9.305 8.762 -12.638 1.00 0.00 H new ATOM 0 HD1 TYR A 91 11.371 7.644 -11.526 1.00 0.00 H new ATOM 0 HD2 TYR A 91 8.129 5.420 -13.258 1.00 0.00 H new ATOM 0 HE1 TYR A 91 12.826 5.641 -11.677 1.00 0.00 H new ATOM 0 HE2 TYR A 91 9.586 3.418 -13.410 1.00 0.00 H new ATOM 0 HH TYR A 91 11.604 2.543 -13.027 1.00 0.00 H new