USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 459 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 47 ASN : amide:sc= 1.48 K(o=2.3,f=-3.8!) USER MOD Set 1.2: A 49 THR OG1 : rot -160:sc= 0.851 USER MOD Set 2.1: A 3 LYS NZ :NH3+ -174:sc= 1.19 (180deg=0.639) USER MOD Set 2.2: A 29 TYR OH : rot -167:sc= 1.7 USER MOD Set 3.1: A 2 THR OG1 : rot 150:sc= 2.1 USER MOD Set 3.2: A 5 GLN : amide:sc= 0.973 K(o=3.1,f=1.2) USER MOD Single : A 1 LEU N :NH3+ -118:sc= -0.0103 (180deg=-1.72!) USER MOD Single : A 9 SER OG : rot 88:sc= 1.2 USER MOD Single : A 10 HIS : no HD1:sc= -0.0428 X(o=-0.043,f=0) USER MOD Single : A 15 HIS : no HE2:sc= -2.28! C(o=-2.3!,f=-6.5!) USER MOD Single : A 18 SER OG : rot -34:sc= 1.22 USER MOD Single : A 22 LYS NZ :NH3+ 161:sc= 0.829 (180deg=0.571) USER MOD Single : A 26 ASN : amide:sc= 1.16 K(o=1.2,f=0) USER MOD Single : A 28 ASN : amide:sc= 0.949 K(o=0.95,f=-0.49) USER MOD Single : A 33 GLN : amide:sc= 2.77 K(o=2.8,f=-5.4!) USER MOD Single : A 35 TYR OH : rot 26:sc= 1.23 USER MOD Single : A 37 SER OG : rot -74:sc= 1.18 USER MOD Single : A 40 TYR OH : rot 180:sc= -0.141 USER MOD Single : A 53 ASN : amide:sc= 0.784 K(o=0.78,f=-5!) USER MOD Single : A 54 THR OG1 : rot -83:sc= 1.74 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HD1:sc= -0.0922 X(o=-0.092,f=-0.099) USER MOD Single : A 60 HIS : no HE2:sc= -1.74 K(o=-1.7,f=-5.2!) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 63 SER OG : rot -37:sc= 1.04 USER MOD Single : A 65 SER OG : rot -53:sc= 1.21 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 15.182 9.847 0.515 1.00 0.00 N ATOM 2 CA LEU A 1 14.119 8.860 0.650 1.00 0.00 C ATOM 3 C LEU A 1 13.083 9.319 1.696 1.00 0.00 C ATOM 4 O LEU A 1 13.182 10.404 2.267 1.00 0.00 O ATOM 5 CB LEU A 1 14.724 7.471 0.967 1.00 0.00 C ATOM 6 CG LEU A 1 15.187 6.674 -0.270 1.00 0.00 C ATOM 7 CD1 LEU A 1 16.476 7.215 -0.894 1.00 0.00 C ATOM 8 CD2 LEU A 1 15.419 5.210 0.121 1.00 0.00 C ATOM 0 H1 LEU A 1 15.189 10.219 -0.456 1.00 0.00 H new ATOM 0 H2 LEU A 1 15.018 10.627 1.183 1.00 0.00 H new ATOM 0 H3 LEU A 1 16.098 9.401 0.721 1.00 0.00 H new ATOM 0 HA LEU A 1 13.583 8.767 -0.294 1.00 0.00 H new ATOM 0 HB2 LEU A 1 15.574 7.604 1.636 1.00 0.00 H new ATOM 0 HB3 LEU A 1 13.983 6.881 1.506 1.00 0.00 H new ATOM 0 HG LEU A 1 14.395 6.771 -1.012 1.00 0.00 H new ATOM 0 HD11 LEU A 1 16.744 6.608 -1.759 1.00 0.00 H new ATOM 0 HD12 LEU A 1 16.323 8.247 -1.209 1.00 0.00 H new ATOM 0 HD13 LEU A 1 17.280 7.175 -0.159 1.00 0.00 H new ATOM 0 HD21 LEU A 1 15.746 4.647 -0.753 1.00 0.00 H new ATOM 0 HD22 LEU A 1 16.185 5.157 0.894 1.00 0.00 H new ATOM 0 HD23 LEU A 1 14.491 4.783 0.501 1.00 0.00 H new ATOM 20 N THR A 2 12.065 8.486 1.915 1.00 0.00 N ATOM 21 CA THR A 2 10.964 8.614 2.869 1.00 0.00 C ATOM 22 C THR A 2 10.646 7.231 3.439 1.00 0.00 C ATOM 23 O THR A 2 11.073 6.227 2.869 1.00 0.00 O ATOM 24 CB THR A 2 9.697 9.147 2.180 1.00 0.00 C ATOM 25 OG1 THR A 2 9.395 8.313 1.076 1.00 0.00 O ATOM 26 CG2 THR A 2 9.825 10.595 1.706 1.00 0.00 C ATOM 0 H THR A 2 11.983 7.623 1.378 1.00 0.00 H new ATOM 0 HA THR A 2 11.265 9.309 3.653 1.00 0.00 H new ATOM 0 HB THR A 2 8.896 9.134 2.920 1.00 0.00 H new ATOM 0 HG1 THR A 2 8.426 8.301 0.931 1.00 0.00 H new ATOM 0 HG21 THR A 2 8.895 10.905 1.230 1.00 0.00 H new ATOM 0 HG22 THR A 2 10.028 11.241 2.560 1.00 0.00 H new ATOM 0 HG23 THR A 2 10.643 10.672 0.990 1.00 0.00 H new ATOM 34 N LYS A 3 9.838 7.142 4.505 1.00 0.00 N ATOM 35 CA LYS A 3 9.394 5.862 5.086 1.00 0.00 C ATOM 36 C LYS A 3 8.778 4.918 4.042 1.00 0.00 C ATOM 37 O LYS A 3 9.084 3.726 4.032 1.00 0.00 O ATOM 38 CB LYS A 3 8.433 6.152 6.251 1.00 0.00 C ATOM 39 CG LYS A 3 8.126 4.896 7.082 1.00 0.00 C ATOM 40 CD LYS A 3 7.295 5.209 8.337 1.00 0.00 C ATOM 41 CE LYS A 3 5.916 5.817 8.046 1.00 0.00 C ATOM 42 NZ LYS A 3 4.998 4.846 7.425 1.00 0.00 N ATOM 0 H LYS A 3 9.471 7.959 4.993 1.00 0.00 H new ATOM 0 HA LYS A 3 10.266 5.330 5.466 1.00 0.00 H new ATOM 0 HB2 LYS A 3 8.869 6.914 6.897 1.00 0.00 H new ATOM 0 HB3 LYS A 3 7.502 6.561 5.858 1.00 0.00 H new ATOM 0 HG2 LYS A 3 7.588 4.178 6.464 1.00 0.00 H new ATOM 0 HG3 LYS A 3 9.062 4.423 7.379 1.00 0.00 H new ATOM 0 HD2 LYS A 3 7.161 4.290 8.908 1.00 0.00 H new ATOM 0 HD3 LYS A 3 7.857 5.898 8.968 1.00 0.00 H new ATOM 0 HE2 LYS A 3 5.480 6.184 8.975 1.00 0.00 H new ATOM 0 HE3 LYS A 3 6.032 6.677 7.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 4.116 5.326 7.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 5.444 4.438 6.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 4.785 4.087 8.103 1.00 0.00 H new ATOM 56 N CYS A 4 7.995 5.469 3.107 1.00 0.00 N ATOM 57 CA CYS A 4 7.490 4.743 1.946 1.00 0.00 C ATOM 58 C CYS A 4 8.635 4.198 1.081 1.00 0.00 C ATOM 59 O CYS A 4 8.767 2.984 0.937 1.00 0.00 O ATOM 60 CB CYS A 4 6.529 5.635 1.147 1.00 0.00 C ATOM 61 SG CYS A 4 5.590 4.710 -0.090 1.00 0.00 S ATOM 0 H CYS A 4 7.693 6.443 3.140 1.00 0.00 H new ATOM 0 HA CYS A 4 6.930 3.874 2.292 1.00 0.00 H new ATOM 0 HB2 CYS A 4 5.837 6.123 1.833 1.00 0.00 H new ATOM 0 HB3 CYS A 4 7.097 6.423 0.652 1.00 0.00 H new ATOM 66 N GLN A 5 9.486 5.074 0.530 1.00 0.00 N ATOM 67 CA GLN A 5 10.578 4.679 -0.368 1.00 0.00 C ATOM 68 C GLN A 5 11.599 3.746 0.306 1.00 0.00 C ATOM 69 O GLN A 5 12.159 2.876 -0.360 1.00 0.00 O ATOM 70 CB GLN A 5 11.277 5.933 -0.906 1.00 0.00 C ATOM 71 CG GLN A 5 10.367 6.758 -1.831 1.00 0.00 C ATOM 72 CD GLN A 5 10.987 8.112 -2.146 1.00 0.00 C ATOM 73 OE1 GLN A 5 11.526 8.349 -3.213 1.00 0.00 O ATOM 74 NE2 GLN A 5 10.936 9.045 -1.216 1.00 0.00 N ATOM 0 H GLN A 5 9.436 6.079 0.695 1.00 0.00 H new ATOM 0 HA GLN A 5 10.137 4.114 -1.189 1.00 0.00 H new ATOM 0 HB2 GLN A 5 11.599 6.553 -0.070 1.00 0.00 H new ATOM 0 HB3 GLN A 5 12.175 5.640 -1.450 1.00 0.00 H new ATOM 0 HG2 GLN A 5 10.193 6.210 -2.757 1.00 0.00 H new ATOM 0 HG3 GLN A 5 9.396 6.901 -1.357 1.00 0.00 H new ATOM 0 HE21 GLN A 5 10.486 8.850 -0.322 1.00 0.00 H new ATOM 0 HE22 GLN A 5 11.347 9.962 -1.391 1.00 0.00 H new ATOM 83 N GLU A 6 11.811 3.884 1.618 1.00 0.00 N ATOM 84 CA GLU A 6 12.578 2.966 2.460 1.00 0.00 C ATOM 85 C GLU A 6 11.941 1.580 2.458 1.00 0.00 C ATOM 86 O GLU A 6 12.586 0.624 2.043 1.00 0.00 O ATOM 87 CB GLU A 6 12.644 3.511 3.892 1.00 0.00 C ATOM 88 CG GLU A 6 13.592 4.713 4.030 1.00 0.00 C ATOM 89 CD GLU A 6 13.239 5.600 5.228 1.00 0.00 C ATOM 90 OE1 GLU A 6 12.887 5.037 6.289 1.00 0.00 O ATOM 91 OE2 GLU A 6 13.309 6.838 5.062 1.00 0.00 O ATOM 0 H GLU A 6 11.436 4.674 2.144 1.00 0.00 H new ATOM 0 HA GLU A 6 13.588 2.883 2.059 1.00 0.00 H new ATOM 0 HB2 GLU A 6 11.644 3.805 4.210 1.00 0.00 H new ATOM 0 HB3 GLU A 6 12.972 2.717 4.563 1.00 0.00 H new ATOM 0 HG2 GLU A 6 14.616 4.355 4.136 1.00 0.00 H new ATOM 0 HG3 GLU A 6 13.555 5.308 3.117 1.00 0.00 H new ATOM 98 N GLU A 7 10.673 1.460 2.872 1.00 0.00 N ATOM 99 CA GLU A 7 9.974 0.173 2.855 1.00 0.00 C ATOM 100 C GLU A 7 9.956 -0.450 1.457 1.00 0.00 C ATOM 101 O GLU A 7 10.241 -1.634 1.330 1.00 0.00 O ATOM 102 CB GLU A 7 8.542 0.308 3.386 1.00 0.00 C ATOM 103 CG GLU A 7 8.487 0.447 4.912 1.00 0.00 C ATOM 104 CD GLU A 7 7.052 0.383 5.441 1.00 0.00 C ATOM 105 OE1 GLU A 7 6.150 0.929 4.759 1.00 0.00 O ATOM 106 OE2 GLU A 7 6.870 -0.201 6.530 1.00 0.00 O ATOM 0 H GLU A 7 10.113 2.238 3.222 1.00 0.00 H new ATOM 0 HA GLU A 7 10.531 -0.492 3.515 1.00 0.00 H new ATOM 0 HB2 GLU A 7 8.070 1.178 2.929 1.00 0.00 H new ATOM 0 HB3 GLU A 7 7.963 -0.565 3.084 1.00 0.00 H new ATOM 0 HG2 GLU A 7 9.078 -0.346 5.370 1.00 0.00 H new ATOM 0 HG3 GLU A 7 8.940 1.393 5.207 1.00 0.00 H new ATOM 113 N VAL A 8 9.680 0.335 0.409 1.00 0.00 N ATOM 114 CA VAL A 8 9.693 -0.154 -0.979 1.00 0.00 C ATOM 115 C VAL A 8 11.095 -0.623 -1.404 1.00 0.00 C ATOM 116 O VAL A 8 11.225 -1.617 -2.117 1.00 0.00 O ATOM 117 CB VAL A 8 9.127 0.905 -1.948 1.00 0.00 C ATOM 118 CG1 VAL A 8 9.125 0.434 -3.409 1.00 0.00 C ATOM 119 CG2 VAL A 8 7.657 1.205 -1.624 1.00 0.00 C ATOM 0 H VAL A 8 9.442 1.323 0.496 1.00 0.00 H new ATOM 0 HA VAL A 8 9.039 -1.025 -1.026 1.00 0.00 H new ATOM 0 HB VAL A 8 9.773 1.775 -1.825 1.00 0.00 H new ATOM 0 HG11 VAL A 8 8.716 1.220 -4.044 1.00 0.00 H new ATOM 0 HG12 VAL A 8 10.145 0.210 -3.720 1.00 0.00 H new ATOM 0 HG13 VAL A 8 8.512 -0.463 -3.501 1.00 0.00 H new ATOM 0 HG21 VAL A 8 7.277 1.954 -2.319 1.00 0.00 H new ATOM 0 HG22 VAL A 8 7.070 0.292 -1.718 1.00 0.00 H new ATOM 0 HG23 VAL A 8 7.579 1.583 -0.605 1.00 0.00 H new ATOM 129 N SER A 9 12.152 0.057 -0.943 1.00 0.00 N ATOM 130 CA SER A 9 13.548 -0.351 -1.161 1.00 0.00 C ATOM 131 C SER A 9 13.908 -1.632 -0.396 1.00 0.00 C ATOM 132 O SER A 9 14.557 -2.514 -0.952 1.00 0.00 O ATOM 133 CB SER A 9 14.521 0.762 -0.748 1.00 0.00 C ATOM 134 OG SER A 9 14.252 1.962 -1.440 1.00 0.00 O ATOM 0 H SER A 9 12.062 0.917 -0.401 1.00 0.00 H new ATOM 0 HA SER A 9 13.642 -0.547 -2.229 1.00 0.00 H new ATOM 0 HB2 SER A 9 14.445 0.934 0.326 1.00 0.00 H new ATOM 0 HB3 SER A 9 15.545 0.446 -0.949 1.00 0.00 H new ATOM 0 HG SER A 9 13.590 2.486 -0.942 1.00 0.00 H new ATOM 140 N HIS A 10 13.521 -1.729 0.880 1.00 0.00 N ATOM 141 CA HIS A 10 13.848 -2.851 1.766 1.00 0.00 C ATOM 142 C HIS A 10 12.986 -4.099 1.517 1.00 0.00 C ATOM 143 O HIS A 10 13.438 -5.210 1.786 1.00 0.00 O ATOM 144 CB HIS A 10 13.716 -2.397 3.229 1.00 0.00 C ATOM 145 CG HIS A 10 14.570 -1.204 3.595 1.00 0.00 C ATOM 146 ND1 HIS A 10 15.814 -0.891 3.090 1.00 0.00 N ATOM 147 CD2 HIS A 10 14.217 -0.207 4.465 1.00 0.00 C ATOM 148 CE1 HIS A 10 16.192 0.277 3.640 1.00 0.00 C ATOM 149 NE2 HIS A 10 15.253 0.732 4.482 1.00 0.00 N ATOM 0 H HIS A 10 12.958 -1.012 1.337 1.00 0.00 H new ATOM 0 HA HIS A 10 14.875 -3.144 1.547 1.00 0.00 H new ATOM 0 HB2 HIS A 10 12.672 -2.155 3.428 1.00 0.00 H new ATOM 0 HB3 HIS A 10 13.980 -3.230 3.880 1.00 0.00 H new ATOM 0 HD2 HIS A 10 13.302 -0.155 5.036 1.00 0.00 H new ATOM 0 HE1 HIS A 10 17.125 0.780 3.432 1.00 0.00 H new ATOM 0 HE2 HIS A 10 15.288 1.593 5.027 1.00 0.00 H new ATOM 157 N ILE A 11 11.767 -3.929 0.990 1.00 0.00 N ATOM 158 CA ILE A 11 10.815 -4.992 0.665 1.00 0.00 C ATOM 159 C ILE A 11 10.712 -5.088 -0.867 1.00 0.00 C ATOM 160 O ILE A 11 9.942 -4.332 -1.462 1.00 0.00 O ATOM 161 CB ILE A 11 9.429 -4.732 1.315 1.00 0.00 C ATOM 162 CG1 ILE A 11 9.517 -4.507 2.844 1.00 0.00 C ATOM 163 CG2 ILE A 11 8.490 -5.916 1.013 1.00 0.00 C ATOM 164 CD1 ILE A 11 8.214 -3.966 3.448 1.00 0.00 C ATOM 0 H ILE A 11 11.403 -3.002 0.769 1.00 0.00 H new ATOM 0 HA ILE A 11 11.168 -5.940 1.070 1.00 0.00 H new ATOM 0 HB ILE A 11 9.034 -3.813 0.881 1.00 0.00 H new ATOM 0 HG12 ILE A 11 9.772 -5.449 3.330 1.00 0.00 H new ATOM 0 HG13 ILE A 11 10.327 -3.809 3.057 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.517 -5.734 1.469 1.00 0.00 H new ATOM 0 HG22 ILE A 11 8.371 -6.020 -0.065 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.917 -6.832 1.422 1.00 0.00 H new ATOM 0 HD11 ILE A 11 8.340 -3.830 4.522 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.969 -3.009 2.987 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.406 -4.674 3.264 1.00 0.00 H new ATOM 176 N PRO A 12 11.467 -5.979 -1.538 1.00 0.00 N ATOM 177 CA PRO A 12 11.251 -6.268 -2.954 1.00 0.00 C ATOM 178 C PRO A 12 9.955 -7.077 -3.134 1.00 0.00 C ATOM 179 O PRO A 12 9.557 -7.817 -2.237 1.00 0.00 O ATOM 180 CB PRO A 12 12.485 -7.066 -3.384 1.00 0.00 C ATOM 181 CG PRO A 12 12.879 -7.813 -2.110 1.00 0.00 C ATOM 182 CD PRO A 12 12.523 -6.825 -0.998 1.00 0.00 C ATOM 0 HA PRO A 12 11.133 -5.369 -3.559 1.00 0.00 H new ATOM 0 HB2 PRO A 12 12.257 -7.753 -4.199 1.00 0.00 H new ATOM 0 HB3 PRO A 12 13.286 -6.413 -3.732 1.00 0.00 H new ATOM 0 HG2 PRO A 12 12.331 -8.749 -2.007 1.00 0.00 H new ATOM 0 HG3 PRO A 12 13.940 -8.063 -2.102 1.00 0.00 H new ATOM 0 HD2 PRO A 12 12.185 -7.349 -0.104 1.00 0.00 H new ATOM 0 HD3 PRO A 12 13.391 -6.231 -0.711 1.00 0.00 H new ATOM 190 N ALA A 13 9.317 -6.988 -4.307 1.00 0.00 N ATOM 191 CA ALA A 13 8.017 -7.618 -4.579 1.00 0.00 C ATOM 192 C ALA A 13 7.977 -9.138 -4.324 1.00 0.00 C ATOM 193 O ALA A 13 6.970 -9.664 -3.849 1.00 0.00 O ATOM 194 CB ALA A 13 7.624 -7.309 -6.029 1.00 0.00 C ATOM 0 H ALA A 13 9.691 -6.472 -5.103 1.00 0.00 H new ATOM 0 HA ALA A 13 7.302 -7.196 -3.873 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.661 -7.768 -6.251 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.551 -6.230 -6.164 1.00 0.00 H new ATOM 0 HB3 ALA A 13 8.381 -7.709 -6.704 1.00 0.00 H new ATOM 200 N VAL A 14 9.075 -9.844 -4.614 1.00 0.00 N ATOM 201 CA VAL A 14 9.231 -11.288 -4.407 1.00 0.00 C ATOM 202 C VAL A 14 9.588 -11.547 -2.942 1.00 0.00 C ATOM 203 O VAL A 14 10.724 -11.874 -2.603 1.00 0.00 O ATOM 204 CB VAL A 14 10.249 -11.899 -5.400 1.00 0.00 C ATOM 205 CG1 VAL A 14 10.252 -13.435 -5.325 1.00 0.00 C ATOM 206 CG2 VAL A 14 9.918 -11.522 -6.855 1.00 0.00 C ATOM 0 H VAL A 14 9.908 -9.411 -5.013 1.00 0.00 H new ATOM 0 HA VAL A 14 8.288 -11.793 -4.617 1.00 0.00 H new ATOM 0 HB VAL A 14 11.222 -11.498 -5.115 1.00 0.00 H new ATOM 0 HG11 VAL A 14 10.978 -13.833 -6.035 1.00 0.00 H new ATOM 0 HG12 VAL A 14 10.521 -13.750 -4.317 1.00 0.00 H new ATOM 0 HG13 VAL A 14 9.260 -13.813 -5.570 1.00 0.00 H new ATOM 0 HG21 VAL A 14 10.654 -11.969 -7.523 1.00 0.00 H new ATOM 0 HG22 VAL A 14 8.925 -11.892 -7.110 1.00 0.00 H new ATOM 0 HG23 VAL A 14 9.940 -10.438 -6.964 1.00 0.00 H new ATOM 216 N HIS A 15 8.588 -11.390 -2.072 1.00 0.00 N ATOM 217 CA HIS A 15 8.695 -11.685 -0.642 1.00 0.00 C ATOM 218 C HIS A 15 7.513 -12.519 -0.114 1.00 0.00 C ATOM 219 O HIS A 15 6.395 -12.395 -0.630 1.00 0.00 O ATOM 220 CB HIS A 15 8.864 -10.378 0.146 1.00 0.00 C ATOM 221 CG HIS A 15 7.609 -9.569 0.375 1.00 0.00 C ATOM 222 ND1 HIS A 15 6.903 -9.495 1.558 1.00 0.00 N ATOM 223 CD2 HIS A 15 7.052 -8.673 -0.496 1.00 0.00 C ATOM 224 CE1 HIS A 15 6.008 -8.503 1.427 1.00 0.00 C ATOM 225 NE2 HIS A 15 6.025 -8.013 0.179 1.00 0.00 N ATOM 0 H HIS A 15 7.667 -11.049 -2.346 1.00 0.00 H new ATOM 0 HA HIS A 15 9.580 -12.304 -0.496 1.00 0.00 H new ATOM 0 HB2 HIS A 15 9.299 -10.617 1.116 1.00 0.00 H new ATOM 0 HB3 HIS A 15 9.584 -9.751 -0.380 1.00 0.00 H new ATOM 0 HD1 HIS A 15 7.036 -10.085 2.380 1.00 0.00 H new ATOM 0 HD2 HIS A 15 7.353 -8.507 -1.520 1.00 0.00 H new ATOM 0 HE1 HIS A 15 5.363 -8.149 2.218 1.00 0.00 H new ATOM 233 N PRO A 16 7.721 -13.341 0.937 1.00 0.00 N ATOM 234 CA PRO A 16 6.645 -14.045 1.633 1.00 0.00 C ATOM 235 C PRO A 16 5.759 -13.061 2.412 1.00 0.00 C ATOM 236 O PRO A 16 6.196 -11.965 2.777 1.00 0.00 O ATOM 237 CB PRO A 16 7.344 -15.049 2.554 1.00 0.00 C ATOM 238 CG PRO A 16 8.681 -14.376 2.859 1.00 0.00 C ATOM 239 CD PRO A 16 9.004 -13.649 1.554 1.00 0.00 C ATOM 0 HA PRO A 16 5.973 -14.554 0.942 1.00 0.00 H new ATOM 0 HB2 PRO A 16 6.769 -15.230 3.462 1.00 0.00 H new ATOM 0 HB3 PRO A 16 7.482 -16.014 2.066 1.00 0.00 H new ATOM 0 HG2 PRO A 16 8.603 -13.684 3.698 1.00 0.00 H new ATOM 0 HG3 PRO A 16 9.450 -15.104 3.117 1.00 0.00 H new ATOM 0 HD2 PRO A 16 9.573 -12.739 1.745 1.00 0.00 H new ATOM 0 HD3 PRO A 16 9.612 -14.274 0.899 1.00 0.00 H new ATOM 247 N GLY A 17 4.500 -13.458 2.653 1.00 0.00 N ATOM 248 CA GLY A 17 3.463 -12.562 3.179 1.00 0.00 C ATOM 249 C GLY A 17 3.313 -11.312 2.304 1.00 0.00 C ATOM 250 O GLY A 17 3.181 -10.208 2.835 1.00 0.00 O ATOM 0 H GLY A 17 4.174 -14.410 2.488 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.512 -13.092 3.227 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.716 -12.268 4.198 1.00 0.00 H new ATOM 254 N SER A 18 3.373 -11.503 0.979 1.00 0.00 N ATOM 255 CA SER A 18 3.501 -10.497 -0.075 1.00 0.00 C ATOM 256 C SER A 18 2.513 -9.328 0.038 1.00 0.00 C ATOM 257 O SER A 18 1.310 -9.479 -0.211 1.00 0.00 O ATOM 258 CB SER A 18 3.475 -11.145 -1.467 1.00 0.00 C ATOM 259 OG SER A 18 4.018 -12.453 -1.439 1.00 0.00 O ATOM 0 H SER A 18 3.329 -12.444 0.589 1.00 0.00 H new ATOM 0 HA SER A 18 4.480 -10.041 0.072 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.449 -11.183 -1.833 1.00 0.00 H new ATOM 0 HB3 SER A 18 4.040 -10.530 -2.167 1.00 0.00 H new ATOM 0 HG SER A 18 4.746 -12.491 -0.784 1.00 0.00 H new ATOM 265 N PHE A 19 3.070 -8.176 0.416 1.00 0.00 N ATOM 266 CA PHE A 19 2.513 -6.836 0.495 1.00 0.00 C ATOM 267 C PHE A 19 3.657 -5.834 0.312 1.00 0.00 C ATOM 268 O PHE A 19 4.291 -5.398 1.275 1.00 0.00 O ATOM 269 CB PHE A 19 1.831 -6.607 1.847 1.00 0.00 C ATOM 270 CG PHE A 19 1.461 -5.159 2.178 1.00 0.00 C ATOM 271 CD1 PHE A 19 1.131 -4.233 1.165 1.00 0.00 C ATOM 272 CD2 PHE A 19 1.523 -4.715 3.512 1.00 0.00 C ATOM 273 CE1 PHE A 19 0.891 -2.883 1.477 1.00 0.00 C ATOM 274 CE2 PHE A 19 1.272 -3.368 3.829 1.00 0.00 C ATOM 275 CZ PHE A 19 0.967 -2.449 2.809 1.00 0.00 C ATOM 0 H PHE A 19 4.047 -8.167 0.710 1.00 0.00 H new ATOM 0 HA PHE A 19 1.761 -6.706 -0.283 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.923 -7.209 1.880 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.490 -6.981 2.631 1.00 0.00 H new ATOM 0 HD1 PHE A 19 1.062 -4.565 0.140 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.765 -5.414 4.299 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.649 -2.181 0.693 1.00 0.00 H new ATOM 0 HE2 PHE A 19 1.314 -3.039 4.857 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.792 -1.411 3.051 1.00 0.00 H new ATOM 285 N ARG A 20 3.919 -5.475 -0.943 1.00 0.00 N ATOM 286 CA ARG A 20 4.812 -4.369 -1.256 1.00 0.00 C ATOM 287 C ARG A 20 4.010 -3.056 -1.200 1.00 0.00 C ATOM 288 O ARG A 20 2.985 -2.962 -1.883 1.00 0.00 O ATOM 289 CB ARG A 20 5.462 -4.577 -2.630 1.00 0.00 C ATOM 290 CG ARG A 20 6.821 -3.878 -2.617 1.00 0.00 C ATOM 291 CD ARG A 20 7.490 -3.905 -3.990 1.00 0.00 C ATOM 292 NE ARG A 20 8.895 -3.503 -3.876 1.00 0.00 N ATOM 293 CZ ARG A 20 9.738 -3.233 -4.858 1.00 0.00 C ATOM 294 NH1 ARG A 20 9.397 -3.376 -6.116 1.00 0.00 N ATOM 295 NH2 ARG A 20 10.943 -2.806 -4.568 1.00 0.00 N ATOM 0 H ARG A 20 3.522 -5.938 -1.761 1.00 0.00 H new ATOM 0 HA ARG A 20 5.619 -4.321 -0.525 1.00 0.00 H new ATOM 0 HB2 ARG A 20 5.582 -5.640 -2.838 1.00 0.00 H new ATOM 0 HB3 ARG A 20 4.830 -4.167 -3.417 1.00 0.00 H new ATOM 0 HG2 ARG A 20 6.694 -2.844 -2.295 1.00 0.00 H new ATOM 0 HG3 ARG A 20 7.471 -4.361 -1.887 1.00 0.00 H new ATOM 0 HD2 ARG A 20 7.424 -4.906 -4.415 1.00 0.00 H new ATOM 0 HD3 ARG A 20 6.966 -3.234 -4.671 1.00 0.00 H new ATOM 0 HE ARG A 20 9.265 -3.422 -2.929 1.00 0.00 H new ATOM 0 HH11 ARG A 20 8.461 -3.703 -6.357 1.00 0.00 H new ATOM 0 HH12 ARG A 20 10.067 -3.160 -6.854 1.00 0.00 H new ATOM 0 HH21 ARG A 20 11.221 -2.686 -3.594 1.00 0.00 H new ATOM 0 HH22 ARG A 20 11.603 -2.594 -5.316 1.00 0.00 H new ATOM 309 N PRO A 21 4.418 -2.051 -0.401 1.00 0.00 N ATOM 310 CA PRO A 21 3.821 -0.721 -0.480 1.00 0.00 C ATOM 311 C PRO A 21 4.197 -0.021 -1.801 1.00 0.00 C ATOM 312 O PRO A 21 4.977 -0.539 -2.601 1.00 0.00 O ATOM 313 CB PRO A 21 4.318 0.019 0.768 1.00 0.00 C ATOM 314 CG PRO A 21 5.643 -0.662 1.109 1.00 0.00 C ATOM 315 CD PRO A 21 5.477 -2.092 0.597 1.00 0.00 C ATOM 0 HA PRO A 21 2.731 -0.750 -0.492 1.00 0.00 H new ATOM 0 HB2 PRO A 21 4.456 1.082 0.571 1.00 0.00 H new ATOM 0 HB3 PRO A 21 3.606 -0.063 1.589 1.00 0.00 H new ATOM 0 HG2 PRO A 21 6.483 -0.162 0.626 1.00 0.00 H new ATOM 0 HG3 PRO A 21 5.835 -0.644 2.182 1.00 0.00 H new ATOM 0 HD2 PRO A 21 6.407 -2.459 0.162 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.217 -2.768 1.411 1.00 0.00 H new ATOM 323 N LYS A 22 3.626 1.166 -2.039 1.00 0.00 N ATOM 324 CA LYS A 22 3.900 2.005 -3.213 1.00 0.00 C ATOM 325 C LYS A 22 3.731 3.496 -2.898 1.00 0.00 C ATOM 326 O LYS A 22 2.953 3.861 -2.012 1.00 0.00 O ATOM 327 CB LYS A 22 3.053 1.544 -4.419 1.00 0.00 C ATOM 328 CG LYS A 22 1.522 1.450 -4.217 1.00 0.00 C ATOM 329 CD LYS A 22 0.990 0.143 -3.603 1.00 0.00 C ATOM 330 CE LYS A 22 1.303 -1.082 -4.469 1.00 0.00 C ATOM 331 NZ LYS A 22 0.874 -2.331 -3.815 1.00 0.00 N ATOM 0 H LYS A 22 2.943 1.580 -1.405 1.00 0.00 H new ATOM 0 HA LYS A 22 4.947 1.878 -3.490 1.00 0.00 H new ATOM 0 HB2 LYS A 22 3.243 2.229 -5.246 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.413 0.563 -4.729 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.210 2.278 -3.580 1.00 0.00 H new ATOM 0 HG3 LYS A 22 1.041 1.593 -5.184 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.427 0.006 -2.614 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.089 0.222 -3.467 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.803 -0.985 -5.433 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.374 -1.124 -4.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.797 -3.086 -4.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.573 -2.603 -3.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.051 -2.186 -3.362 1.00 0.00 H new ATOM 345 N CYS A 23 4.434 4.360 -3.640 1.00 0.00 N ATOM 346 CA CYS A 23 4.577 5.790 -3.338 1.00 0.00 C ATOM 347 C CYS A 23 4.339 6.685 -4.555 1.00 0.00 C ATOM 348 O CYS A 23 4.447 6.248 -5.700 1.00 0.00 O ATOM 349 CB CYS A 23 5.997 6.054 -2.791 1.00 0.00 C ATOM 350 SG CYS A 23 6.751 4.768 -1.754 1.00 0.00 S ATOM 0 H CYS A 23 4.930 4.079 -4.486 1.00 0.00 H new ATOM 0 HA CYS A 23 3.816 6.039 -2.599 1.00 0.00 H new ATOM 0 HB2 CYS A 23 6.657 6.230 -3.640 1.00 0.00 H new ATOM 0 HB3 CYS A 23 5.968 6.978 -2.213 1.00 0.00 H new ATOM 355 N ASP A 24 4.014 7.953 -4.290 1.00 0.00 N ATOM 356 CA ASP A 24 3.700 8.966 -5.287 1.00 0.00 C ATOM 357 C ASP A 24 4.901 9.852 -5.669 1.00 0.00 C ATOM 358 O ASP A 24 5.998 9.729 -5.125 1.00 0.00 O ATOM 359 CB ASP A 24 2.487 9.795 -4.814 1.00 0.00 C ATOM 360 CG ASP A 24 2.759 10.799 -3.687 1.00 0.00 C ATOM 361 OD1 ASP A 24 3.869 10.785 -3.112 1.00 0.00 O ATOM 362 OD2 ASP A 24 1.871 11.648 -3.462 1.00 0.00 O ATOM 0 H ASP A 24 3.962 8.311 -3.336 1.00 0.00 H new ATOM 0 HA ASP A 24 3.440 8.449 -6.211 1.00 0.00 H new ATOM 0 HB2 ASP A 24 2.087 10.339 -5.670 1.00 0.00 H new ATOM 0 HB3 ASP A 24 1.709 9.107 -4.482 1.00 0.00 H new ATOM 367 N GLU A 25 4.665 10.817 -6.567 1.00 0.00 N ATOM 368 CA GLU A 25 5.660 11.801 -7.018 1.00 0.00 C ATOM 369 C GLU A 25 6.192 12.729 -5.907 1.00 0.00 C ATOM 370 O GLU A 25 7.174 13.434 -6.115 1.00 0.00 O ATOM 371 CB GLU A 25 5.123 12.610 -8.219 1.00 0.00 C ATOM 372 CG GLU A 25 4.094 13.725 -7.925 1.00 0.00 C ATOM 373 CD GLU A 25 2.704 13.258 -7.471 1.00 0.00 C ATOM 374 OE1 GLU A 25 2.395 12.055 -7.636 1.00 0.00 O ATOM 375 OE2 GLU A 25 1.960 14.121 -6.954 1.00 0.00 O ATOM 0 H GLU A 25 3.755 10.939 -7.011 1.00 0.00 H new ATOM 0 HA GLU A 25 6.526 11.220 -7.336 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.974 13.063 -8.727 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.669 11.910 -8.920 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.505 14.377 -7.155 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.976 14.329 -8.825 1.00 0.00 H new ATOM 382 N ASN A 26 5.563 12.701 -4.727 1.00 0.00 N ATOM 383 CA ASN A 26 5.949 13.430 -3.521 1.00 0.00 C ATOM 384 C ASN A 26 6.694 12.520 -2.520 1.00 0.00 C ATOM 385 O ASN A 26 6.881 12.906 -1.365 1.00 0.00 O ATOM 386 CB ASN A 26 4.689 14.058 -2.888 1.00 0.00 C ATOM 387 CG ASN A 26 3.818 14.778 -3.907 1.00 0.00 C ATOM 388 OD1 ASN A 26 4.202 15.778 -4.488 1.00 0.00 O ATOM 389 ND2 ASN A 26 2.634 14.264 -4.183 1.00 0.00 N ATOM 0 H ASN A 26 4.725 12.137 -4.583 1.00 0.00 H new ATOM 0 HA ASN A 26 6.645 14.223 -3.792 1.00 0.00 H new ATOM 0 HB2 ASN A 26 4.104 13.277 -2.402 1.00 0.00 H new ATOM 0 HB3 ASN A 26 4.989 14.761 -2.111 1.00 0.00 H new ATOM 0 HD21 ASN A 26 2.038 14.704 -4.884 1.00 0.00 H new ATOM 0 HD22 ASN A 26 2.315 13.427 -3.695 1.00 0.00 H new ATOM 396 N GLY A 27 7.044 11.283 -2.909 1.00 0.00 N ATOM 397 CA GLY A 27 7.692 10.284 -2.052 1.00 0.00 C ATOM 398 C GLY A 27 6.825 9.790 -0.885 1.00 0.00 C ATOM 399 O GLY A 27 7.312 9.051 -0.031 1.00 0.00 O ATOM 0 H GLY A 27 6.878 10.943 -3.856 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.977 9.428 -2.664 1.00 0.00 H new ATOM 0 HA3 GLY A 27 8.612 10.709 -1.651 1.00 0.00 H new ATOM 403 N ASN A 28 5.559 10.199 -0.824 1.00 0.00 N ATOM 404 CA ASN A 28 4.587 9.799 0.186 1.00 0.00 C ATOM 405 C ASN A 28 3.849 8.544 -0.304 1.00 0.00 C ATOM 406 O ASN A 28 3.912 8.214 -1.490 1.00 0.00 O ATOM 407 CB ASN A 28 3.647 10.992 0.432 1.00 0.00 C ATOM 408 CG ASN A 28 4.256 12.044 1.352 1.00 0.00 C ATOM 409 OD1 ASN A 28 3.815 12.233 2.473 1.00 0.00 O ATOM 410 ND2 ASN A 28 5.277 12.770 0.940 1.00 0.00 N ATOM 0 H ASN A 28 5.168 10.847 -1.508 1.00 0.00 H new ATOM 0 HA ASN A 28 5.059 9.540 1.134 1.00 0.00 H new ATOM 0 HB2 ASN A 28 3.395 11.453 -0.523 1.00 0.00 H new ATOM 0 HB3 ASN A 28 2.715 10.631 0.867 1.00 0.00 H new ATOM 0 HD21 ASN A 28 5.683 13.474 1.556 1.00 0.00 H new ATOM 0 HD22 ASN A 28 5.660 12.627 0.006 1.00 0.00 H new ATOM 417 N TYR A 29 3.146 7.839 0.588 1.00 0.00 N ATOM 418 CA TYR A 29 2.412 6.630 0.204 1.00 0.00 C ATOM 419 C TYR A 29 1.341 6.973 -0.837 1.00 0.00 C ATOM 420 O TYR A 29 0.600 7.944 -0.676 1.00 0.00 O ATOM 421 CB TYR A 29 1.808 5.938 1.432 1.00 0.00 C ATOM 422 CG TYR A 29 2.834 5.265 2.328 1.00 0.00 C ATOM 423 CD1 TYR A 29 3.577 6.032 3.245 1.00 0.00 C ATOM 424 CD2 TYR A 29 3.054 3.873 2.244 1.00 0.00 C ATOM 425 CE1 TYR A 29 4.523 5.423 4.083 1.00 0.00 C ATOM 426 CE2 TYR A 29 4.004 3.255 3.084 1.00 0.00 C ATOM 427 CZ TYR A 29 4.735 4.034 4.007 1.00 0.00 C ATOM 428 OH TYR A 29 5.666 3.475 4.820 1.00 0.00 O ATOM 0 H TYR A 29 3.070 8.083 1.575 1.00 0.00 H new ATOM 0 HA TYR A 29 3.110 5.925 -0.248 1.00 0.00 H new ATOM 0 HB2 TYR A 29 1.257 6.674 2.017 1.00 0.00 H new ATOM 0 HB3 TYR A 29 1.087 5.192 1.098 1.00 0.00 H new ATOM 0 HD1 TYR A 29 3.417 7.099 3.304 1.00 0.00 H new ATOM 0 HD2 TYR A 29 2.494 3.280 1.536 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.087 6.019 4.785 1.00 0.00 H new ATOM 0 HE2 TYR A 29 4.171 2.190 3.021 1.00 0.00 H new ATOM 0 HH TYR A 29 5.854 2.561 4.522 1.00 0.00 H new ATOM 438 N LEU A 30 1.274 6.183 -1.918 1.00 0.00 N ATOM 439 CA LEU A 30 0.233 6.339 -2.934 1.00 0.00 C ATOM 440 C LEU A 30 -1.150 6.183 -2.261 1.00 0.00 C ATOM 441 O LEU A 30 -1.283 5.280 -1.430 1.00 0.00 O ATOM 442 CB LEU A 30 0.407 5.306 -4.068 1.00 0.00 C ATOM 443 CG LEU A 30 0.965 5.890 -5.377 1.00 0.00 C ATOM 444 CD1 LEU A 30 1.383 4.759 -6.317 1.00 0.00 C ATOM 445 CD2 LEU A 30 -0.034 6.785 -6.114 1.00 0.00 C ATOM 0 H LEU A 30 1.933 5.428 -2.108 1.00 0.00 H new ATOM 0 HA LEU A 30 0.312 7.330 -3.381 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.073 4.515 -3.724 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.558 4.843 -4.273 1.00 0.00 H new ATOM 0 HG LEU A 30 1.819 6.505 -5.095 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.777 5.181 -7.242 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.152 4.153 -5.838 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.518 4.135 -6.543 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.423 7.164 -7.028 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.924 6.207 -6.365 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.314 7.622 -5.474 1.00 0.00 H new ATOM 457 N PRO A 31 -2.178 6.989 -2.607 1.00 0.00 N ATOM 458 CA PRO A 31 -3.492 6.982 -1.951 1.00 0.00 C ATOM 459 C PRO A 31 -4.191 5.626 -1.786 1.00 0.00 C ATOM 460 O PRO A 31 -5.026 5.517 -0.895 1.00 0.00 O ATOM 461 CB PRO A 31 -4.362 7.933 -2.778 1.00 0.00 C ATOM 462 CG PRO A 31 -3.350 8.969 -3.250 1.00 0.00 C ATOM 463 CD PRO A 31 -2.120 8.110 -3.537 1.00 0.00 C ATOM 0 HA PRO A 31 -3.340 7.286 -0.915 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.842 7.423 -3.613 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.155 8.382 -2.181 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.693 9.498 -4.139 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.152 9.722 -2.487 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.123 7.760 -4.569 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -1.204 8.684 -3.398 1.00 0.00 H new ATOM 471 N LEU A 32 -3.846 4.610 -2.590 1.00 0.00 N ATOM 472 CA LEU A 32 -4.274 3.213 -2.468 1.00 0.00 C ATOM 473 C LEU A 32 -3.057 2.334 -2.132 1.00 0.00 C ATOM 474 O LEU A 32 -2.014 2.457 -2.775 1.00 0.00 O ATOM 475 CB LEU A 32 -4.904 2.776 -3.808 1.00 0.00 C ATOM 476 CG LEU A 32 -5.514 1.355 -3.812 1.00 0.00 C ATOM 477 CD1 LEU A 32 -6.910 1.324 -3.199 1.00 0.00 C ATOM 478 CD2 LEU A 32 -5.640 0.839 -5.247 1.00 0.00 C ATOM 0 H LEU A 32 -3.226 4.751 -3.387 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.009 3.106 -1.670 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.683 3.490 -4.076 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.142 2.830 -4.585 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.844 0.732 -3.220 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.296 0.305 -3.225 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.861 1.668 -2.166 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.572 1.977 -3.768 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.071 -0.162 -5.237 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.286 1.506 -5.818 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.654 0.805 -5.709 1.00 0.00 H new ATOM 490 N GLN A 33 -3.208 1.409 -1.178 1.00 0.00 N ATOM 491 CA GLN A 33 -2.235 0.346 -0.882 1.00 0.00 C ATOM 492 C GLN A 33 -2.951 -1.013 -0.909 1.00 0.00 C ATOM 493 O GLN A 33 -4.147 -1.076 -0.628 1.00 0.00 O ATOM 494 CB GLN A 33 -1.570 0.582 0.486 1.00 0.00 C ATOM 495 CG GLN A 33 -0.844 1.928 0.645 1.00 0.00 C ATOM 496 CD GLN A 33 0.397 2.111 -0.227 1.00 0.00 C ATOM 497 OE1 GLN A 33 1.340 1.331 -0.199 1.00 0.00 O ATOM 498 NE2 GLN A 33 0.485 3.190 -0.973 1.00 0.00 N ATOM 0 H GLN A 33 -4.029 1.376 -0.574 1.00 0.00 H new ATOM 0 HA GLN A 33 -1.450 0.356 -1.638 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -2.334 0.507 1.260 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -0.855 -0.220 0.666 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.547 2.730 0.419 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.554 2.044 1.689 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.291 3.851 -1.008 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.330 3.367 -1.517 1.00 0.00 H new ATOM 507 N CYS A 34 -2.231 -2.096 -1.239 1.00 0.00 N ATOM 508 CA CYS A 34 -2.799 -3.433 -1.461 1.00 0.00 C ATOM 509 C CYS A 34 -1.926 -4.563 -0.898 1.00 0.00 C ATOM 510 O CYS A 34 -0.808 -4.778 -1.369 1.00 0.00 O ATOM 511 CB CYS A 34 -3.018 -3.656 -2.965 1.00 0.00 C ATOM 512 SG CYS A 34 -4.210 -2.574 -3.798 1.00 0.00 S ATOM 0 H CYS A 34 -1.219 -2.066 -1.361 1.00 0.00 H new ATOM 0 HA CYS A 34 -3.747 -3.466 -0.923 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -2.056 -3.548 -3.466 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -3.339 -4.687 -3.110 1.00 0.00 H new ATOM 517 N TYR A 35 -2.474 -5.359 0.029 1.00 0.00 N ATOM 518 CA TYR A 35 -1.847 -6.576 0.553 1.00 0.00 C ATOM 519 C TYR A 35 -2.122 -7.727 -0.431 1.00 0.00 C ATOM 520 O TYR A 35 -2.951 -8.611 -0.200 1.00 0.00 O ATOM 521 CB TYR A 35 -2.326 -6.830 1.998 1.00 0.00 C ATOM 522 CG TYR A 35 -1.400 -7.660 2.875 1.00 0.00 C ATOM 523 CD1 TYR A 35 -0.918 -8.915 2.450 1.00 0.00 C ATOM 524 CD2 TYR A 35 -0.920 -7.111 4.086 1.00 0.00 C ATOM 525 CE1 TYR A 35 0.096 -9.564 3.175 1.00 0.00 C ATOM 526 CE2 TYR A 35 0.100 -7.757 4.810 1.00 0.00 C ATOM 527 CZ TYR A 35 0.642 -8.964 4.326 1.00 0.00 C ATOM 528 OH TYR A 35 1.750 -9.503 4.897 1.00 0.00 O ATOM 0 H TYR A 35 -3.386 -5.169 0.444 1.00 0.00 H new ATOM 0 HA TYR A 35 -0.764 -6.479 0.625 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -2.483 -5.866 2.482 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -3.295 -7.327 1.956 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -1.329 -9.379 1.565 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -1.339 -6.188 4.459 1.00 0.00 H new ATOM 0 HE1 TYR A 35 0.458 -10.527 2.848 1.00 0.00 H new ATOM 0 HE2 TYR A 35 0.465 -7.329 5.732 1.00 0.00 H new ATOM 0 HH TYR A 35 2.263 -9.991 4.219 1.00 0.00 H new ATOM 538 N GLY A 36 -1.424 -7.661 -1.572 1.00 0.00 N ATOM 539 CA GLY A 36 -1.621 -8.484 -2.768 1.00 0.00 C ATOM 540 C GLY A 36 -1.869 -9.968 -2.501 1.00 0.00 C ATOM 541 O GLY A 36 -2.826 -10.523 -3.035 1.00 0.00 O ATOM 0 H GLY A 36 -0.663 -6.992 -1.690 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -2.466 -8.086 -3.329 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -0.742 -8.387 -3.405 1.00 0.00 H new ATOM 545 N SER A 37 -1.051 -10.601 -1.651 1.00 0.00 N ATOM 546 CA SER A 37 -1.159 -12.033 -1.317 1.00 0.00 C ATOM 547 C SER A 37 -2.481 -12.472 -0.660 1.00 0.00 C ATOM 548 O SER A 37 -2.761 -13.670 -0.662 1.00 0.00 O ATOM 549 CB SER A 37 0.023 -12.486 -0.454 1.00 0.00 C ATOM 550 OG SER A 37 0.195 -11.642 0.664 1.00 0.00 O ATOM 0 H SER A 37 -0.285 -10.131 -1.168 1.00 0.00 H new ATOM 0 HA SER A 37 -1.142 -12.529 -2.287 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.141 -13.510 -0.118 1.00 0.00 H new ATOM 0 HB3 SER A 37 0.933 -12.489 -1.053 1.00 0.00 H new ATOM 0 HG SER A 37 0.589 -10.792 0.375 1.00 0.00 H new ATOM 556 N ILE A 38 -3.322 -11.551 -0.162 1.00 0.00 N ATOM 557 CA ILE A 38 -4.689 -11.827 0.296 1.00 0.00 C ATOM 558 C ILE A 38 -5.761 -11.056 -0.501 1.00 0.00 C ATOM 559 O ILE A 38 -6.956 -11.301 -0.321 1.00 0.00 O ATOM 560 CB ILE A 38 -4.799 -11.575 1.814 1.00 0.00 C ATOM 561 CG1 ILE A 38 -4.402 -10.140 2.223 1.00 0.00 C ATOM 562 CG2 ILE A 38 -3.982 -12.628 2.585 1.00 0.00 C ATOM 563 CD1 ILE A 38 -4.752 -9.777 3.671 1.00 0.00 C ATOM 0 H ILE A 38 -3.061 -10.570 -0.065 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.893 -12.880 0.104 1.00 0.00 H new ATOM 0 HB ILE A 38 -5.851 -11.676 2.081 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.328 -10.018 2.079 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.895 -9.435 1.554 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -4.066 -12.441 3.656 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -4.365 -13.623 2.359 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -2.935 -12.566 2.287 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -4.439 -8.753 3.875 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -5.829 -9.864 3.818 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -4.237 -10.456 4.351 1.00 0.00 H new ATOM 575 N GLY A 39 -5.341 -10.145 -1.389 1.00 0.00 N ATOM 576 CA GLY A 39 -6.187 -9.364 -2.291 1.00 0.00 C ATOM 577 C GLY A 39 -6.761 -8.072 -1.698 1.00 0.00 C ATOM 578 O GLY A 39 -7.423 -7.331 -2.420 1.00 0.00 O ATOM 0 H GLY A 39 -4.351 -9.924 -1.500 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.607 -9.110 -3.178 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -7.015 -9.992 -2.621 1.00 0.00 H new ATOM 582 N TYR A 40 -6.529 -7.780 -0.411 1.00 0.00 N ATOM 583 CA TYR A 40 -7.147 -6.636 0.265 1.00 0.00 C ATOM 584 C TYR A 40 -6.380 -5.339 0.016 1.00 0.00 C ATOM 585 O TYR A 40 -5.222 -5.206 0.414 1.00 0.00 O ATOM 586 CB TYR A 40 -7.327 -6.871 1.773 1.00 0.00 C ATOM 587 CG TYR A 40 -8.435 -7.854 2.089 1.00 0.00 C ATOM 588 CD1 TYR A 40 -8.167 -9.232 2.094 1.00 0.00 C ATOM 589 CD2 TYR A 40 -9.744 -7.393 2.337 1.00 0.00 C ATOM 590 CE1 TYR A 40 -9.201 -10.151 2.321 1.00 0.00 C ATOM 591 CE2 TYR A 40 -10.793 -8.312 2.537 1.00 0.00 C ATOM 592 CZ TYR A 40 -10.524 -9.697 2.506 1.00 0.00 C ATOM 593 OH TYR A 40 -11.532 -10.601 2.614 1.00 0.00 O ATOM 0 H TYR A 40 -5.910 -8.328 0.187 1.00 0.00 H new ATOM 0 HA TYR A 40 -8.139 -6.532 -0.174 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -6.391 -7.240 2.192 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -7.542 -5.920 2.261 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -7.161 -9.585 1.922 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -9.943 -6.332 2.374 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -8.984 -11.209 2.354 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -11.798 -7.958 2.713 1.00 0.00 H new ATOM 0 HH TYR A 40 -12.382 -10.130 2.739 1.00 0.00 H new ATOM 603 N CYS A 41 -7.049 -4.380 -0.625 1.00 0.00 N ATOM 604 CA CYS A 41 -6.596 -3.004 -0.749 1.00 0.00 C ATOM 605 C CYS A 41 -7.347 -2.110 0.233 1.00 0.00 C ATOM 606 O CYS A 41 -8.446 -2.440 0.672 1.00 0.00 O ATOM 607 CB CYS A 41 -6.795 -2.480 -2.172 1.00 0.00 C ATOM 608 SG CYS A 41 -6.034 -3.446 -3.501 1.00 0.00 S ATOM 0 H CYS A 41 -7.945 -4.549 -1.083 1.00 0.00 H new ATOM 0 HA CYS A 41 -5.531 -2.984 -0.519 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.866 -2.417 -2.366 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -6.402 -1.464 -2.220 1.00 0.00 H new ATOM 613 N TRP A 42 -6.754 -0.963 0.543 1.00 0.00 N ATOM 614 CA TRP A 42 -7.355 0.121 1.314 1.00 0.00 C ATOM 615 C TRP A 42 -6.816 1.462 0.815 1.00 0.00 C ATOM 616 O TRP A 42 -5.759 1.521 0.177 1.00 0.00 O ATOM 617 CB TRP A 42 -7.067 -0.075 2.801 1.00 0.00 C ATOM 618 CG TRP A 42 -5.628 -0.199 3.168 1.00 0.00 C ATOM 619 CD1 TRP A 42 -4.804 0.818 3.493 1.00 0.00 C ATOM 620 CD2 TRP A 42 -4.825 -1.410 3.217 1.00 0.00 C ATOM 621 NE1 TRP A 42 -3.542 0.318 3.756 1.00 0.00 N ATOM 622 CE2 TRP A 42 -3.496 -1.047 3.572 1.00 0.00 C ATOM 623 CE3 TRP A 42 -5.087 -2.775 2.982 1.00 0.00 C ATOM 624 CZ2 TRP A 42 -2.465 -1.989 3.671 1.00 0.00 C ATOM 625 CZ3 TRP A 42 -4.064 -3.731 3.088 1.00 0.00 C ATOM 626 CH2 TRP A 42 -2.753 -3.342 3.421 1.00 0.00 C ATOM 0 H TRP A 42 -5.799 -0.753 0.251 1.00 0.00 H new ATOM 0 HA TRP A 42 -8.437 0.114 1.179 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -7.492 0.766 3.349 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -7.588 -0.971 3.138 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -5.086 1.860 3.540 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -2.747 0.886 4.049 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -6.086 -3.089 2.717 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -1.464 -1.681 3.935 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -4.285 -4.773 2.913 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -1.969 -4.082 3.484 1.00 0.00 H new ATOM 637 N CYS A 43 -7.512 2.551 1.148 1.00 0.00 N ATOM 638 CA CYS A 43 -6.983 3.889 0.918 1.00 0.00 C ATOM 639 C CYS A 43 -6.119 4.308 2.108 1.00 0.00 C ATOM 640 O CYS A 43 -6.350 3.850 3.229 1.00 0.00 O ATOM 641 CB CYS A 43 -8.107 4.905 0.692 1.00 0.00 C ATOM 642 SG CYS A 43 -9.187 4.595 -0.722 1.00 0.00 S ATOM 0 H CYS A 43 -8.438 2.529 1.575 1.00 0.00 H new ATOM 0 HA CYS A 43 -6.374 3.867 0.014 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -8.722 4.942 1.591 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -7.659 5.891 0.571 1.00 0.00 H new ATOM 647 N VAL A 44 -5.161 5.211 1.890 1.00 0.00 N ATOM 648 CA VAL A 44 -4.266 5.710 2.942 1.00 0.00 C ATOM 649 C VAL A 44 -4.099 7.226 2.923 1.00 0.00 C ATOM 650 O VAL A 44 -4.281 7.894 1.900 1.00 0.00 O ATOM 651 CB VAL A 44 -2.861 5.070 2.874 1.00 0.00 C ATOM 652 CG1 VAL A 44 -2.895 3.565 3.138 1.00 0.00 C ATOM 653 CG2 VAL A 44 -2.144 5.326 1.545 1.00 0.00 C ATOM 0 H VAL A 44 -4.981 5.621 0.973 1.00 0.00 H new ATOM 0 HA VAL A 44 -4.758 5.422 3.871 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.297 5.561 3.667 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.884 3.162 3.079 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.302 3.379 4.132 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.523 3.079 2.392 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.164 4.850 1.563 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.734 4.911 0.728 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.024 6.399 1.397 1.00 0.00 H new ATOM 663 N PHE A 45 -3.716 7.757 4.081 1.00 0.00 N ATOM 664 CA PHE A 45 -3.218 9.117 4.240 1.00 0.00 C ATOM 665 C PHE A 45 -1.727 9.123 3.808 1.00 0.00 C ATOM 666 O PHE A 45 -1.120 8.051 3.716 1.00 0.00 O ATOM 667 CB PHE A 45 -3.440 9.544 5.701 1.00 0.00 C ATOM 668 CG PHE A 45 -4.904 9.529 6.114 1.00 0.00 C ATOM 669 CD1 PHE A 45 -5.786 10.509 5.621 1.00 0.00 C ATOM 670 CD2 PHE A 45 -5.401 8.516 6.957 1.00 0.00 C ATOM 671 CE1 PHE A 45 -7.152 10.466 5.950 1.00 0.00 C ATOM 672 CE2 PHE A 45 -6.765 8.475 7.295 1.00 0.00 C ATOM 673 CZ PHE A 45 -7.643 9.450 6.790 1.00 0.00 C ATOM 0 H PHE A 45 -3.745 7.237 4.958 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.744 9.840 3.616 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.877 8.879 6.356 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.039 10.547 5.844 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -5.411 11.298 4.986 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.729 7.765 7.347 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -7.825 11.214 5.557 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -7.138 7.695 7.942 1.00 0.00 H new ATOM 0 HZ PHE A 45 -8.692 9.419 7.046 1.00 0.00 H new ATOM 683 N PRO A 46 -1.095 10.282 3.528 1.00 0.00 N ATOM 684 CA PRO A 46 0.240 10.351 2.912 1.00 0.00 C ATOM 685 C PRO A 46 1.360 9.597 3.652 1.00 0.00 C ATOM 686 O PRO A 46 2.338 9.184 3.030 1.00 0.00 O ATOM 687 CB PRO A 46 0.559 11.848 2.809 1.00 0.00 C ATOM 688 CG PRO A 46 -0.817 12.500 2.722 1.00 0.00 C ATOM 689 CD PRO A 46 -1.666 11.615 3.628 1.00 0.00 C ATOM 0 HA PRO A 46 0.207 9.842 1.949 1.00 0.00 H new ATOM 0 HB2 PRO A 46 1.116 12.200 3.677 1.00 0.00 H new ATOM 0 HB3 PRO A 46 1.165 12.070 1.930 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -0.798 13.533 3.068 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -1.195 12.513 1.700 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -1.644 11.974 4.657 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -2.709 11.618 3.312 1.00 0.00 H new ATOM 697 N ASN A 47 1.198 9.380 4.963 1.00 0.00 N ATOM 698 CA ASN A 47 2.077 8.626 5.848 1.00 0.00 C ATOM 699 C ASN A 47 1.883 7.092 5.801 1.00 0.00 C ATOM 700 O ASN A 47 2.652 6.377 6.442 1.00 0.00 O ATOM 701 CB ASN A 47 1.847 9.135 7.283 1.00 0.00 C ATOM 702 CG ASN A 47 0.571 8.563 7.892 1.00 0.00 C ATOM 703 OD1 ASN A 47 -0.456 8.441 7.237 1.00 0.00 O ATOM 704 ND2 ASN A 47 0.621 8.133 9.133 1.00 0.00 N ATOM 0 H ASN A 47 0.392 9.755 5.462 1.00 0.00 H new ATOM 0 HA ASN A 47 3.098 8.793 5.506 1.00 0.00 H new ATOM 0 HB2 ASN A 47 2.700 8.864 7.905 1.00 0.00 H new ATOM 0 HB3 ASN A 47 1.790 10.224 7.277 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -0.198 7.695 9.554 1.00 0.00 H new ATOM 0 HD22 ASN A 47 1.479 8.237 9.675 1.00 0.00 H new ATOM 711 N GLY A 48 0.853 6.593 5.104 1.00 0.00 N ATOM 712 CA GLY A 48 0.515 5.170 4.997 1.00 0.00 C ATOM 713 C GLY A 48 -0.585 4.679 5.952 1.00 0.00 C ATOM 714 O GLY A 48 -0.923 3.497 5.903 1.00 0.00 O ATOM 0 H GLY A 48 0.212 7.190 4.582 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.202 4.965 3.973 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.417 4.585 5.178 1.00 0.00 H new ATOM 718 N THR A 49 -1.160 5.538 6.809 1.00 0.00 N ATOM 719 CA THR A 49 -2.262 5.154 7.712 1.00 0.00 C ATOM 720 C THR A 49 -3.542 4.928 6.906 1.00 0.00 C ATOM 721 O THR A 49 -3.894 5.765 6.078 1.00 0.00 O ATOM 722 CB THR A 49 -2.496 6.228 8.792 1.00 0.00 C ATOM 723 OG1 THR A 49 -1.385 6.278 9.660 1.00 0.00 O ATOM 724 CG2 THR A 49 -3.701 5.944 9.693 1.00 0.00 C ATOM 0 H THR A 49 -0.877 6.514 6.897 1.00 0.00 H new ATOM 0 HA THR A 49 -1.985 4.227 8.214 1.00 0.00 H new ATOM 0 HB THR A 49 -2.663 7.154 8.242 1.00 0.00 H new ATOM 0 HG1 THR A 49 -1.647 6.706 10.502 1.00 0.00 H new ATOM 0 HG21 THR A 49 -3.802 6.743 10.428 1.00 0.00 H new ATOM 0 HG22 THR A 49 -4.605 5.893 9.086 1.00 0.00 H new ATOM 0 HG23 THR A 49 -3.555 4.994 10.207 1.00 0.00 H new ATOM 732 N GLU A 50 -4.241 3.813 7.151 1.00 0.00 N ATOM 733 CA GLU A 50 -5.484 3.449 6.462 1.00 0.00 C ATOM 734 C GLU A 50 -6.620 4.462 6.693 1.00 0.00 C ATOM 735 O GLU A 50 -6.824 4.952 7.802 1.00 0.00 O ATOM 736 CB GLU A 50 -5.895 2.024 6.894 1.00 0.00 C ATOM 737 CG GLU A 50 -7.044 1.402 6.065 1.00 0.00 C ATOM 738 CD GLU A 50 -8.418 1.279 6.743 1.00 0.00 C ATOM 739 OE1 GLU A 50 -8.583 1.798 7.868 1.00 0.00 O ATOM 740 OE2 GLU A 50 -9.305 0.647 6.120 1.00 0.00 O ATOM 0 H GLU A 50 -3.952 3.126 7.847 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.297 3.469 5.388 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.023 1.373 6.826 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -6.194 2.049 7.942 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -7.167 1.997 5.160 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -6.732 0.406 5.752 1.00 0.00 H new ATOM 747 N VAL A 51 -7.409 4.710 5.641 1.00 0.00 N ATOM 748 CA VAL A 51 -8.664 5.465 5.681 1.00 0.00 C ATOM 749 C VAL A 51 -9.758 4.488 6.146 1.00 0.00 C ATOM 750 O VAL A 51 -10.008 3.503 5.435 1.00 0.00 O ATOM 751 CB VAL A 51 -9.017 6.031 4.293 1.00 0.00 C ATOM 752 CG1 VAL A 51 -10.371 6.753 4.301 1.00 0.00 C ATOM 753 CG2 VAL A 51 -7.956 7.023 3.792 1.00 0.00 C ATOM 0 H VAL A 51 -7.181 4.377 4.704 1.00 0.00 H new ATOM 0 HA VAL A 51 -8.573 6.313 6.360 1.00 0.00 H new ATOM 0 HB VAL A 51 -9.060 5.170 3.626 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -10.584 7.138 3.304 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -11.154 6.054 4.595 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.338 7.580 5.010 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -8.244 7.398 2.810 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -7.878 7.856 4.490 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -6.992 6.519 3.720 1.00 0.00 H new ATOM 763 N PRO A 52 -10.372 4.714 7.329 1.00 0.00 N ATOM 764 CA PRO A 52 -11.263 3.769 8.000 1.00 0.00 C ATOM 765 C PRO A 52 -12.291 3.068 7.118 1.00 0.00 C ATOM 766 O PRO A 52 -13.003 3.691 6.333 1.00 0.00 O ATOM 767 CB PRO A 52 -11.932 4.559 9.126 1.00 0.00 C ATOM 768 CG PRO A 52 -10.838 5.539 9.529 1.00 0.00 C ATOM 769 CD PRO A 52 -10.167 5.869 8.198 1.00 0.00 C ATOM 0 HA PRO A 52 -10.665 2.931 8.359 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -12.831 5.071 8.785 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -12.227 3.915 9.955 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -11.249 6.429 10.006 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -10.137 5.094 10.235 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -10.601 6.767 7.758 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -9.104 6.064 8.338 1.00 0.00 H new ATOM 777 N ASN A 53 -12.380 1.748 7.310 1.00 0.00 N ATOM 778 CA ASN A 53 -13.280 0.824 6.624 1.00 0.00 C ATOM 779 C ASN A 53 -13.130 0.758 5.094 1.00 0.00 C ATOM 780 O ASN A 53 -13.991 0.176 4.433 1.00 0.00 O ATOM 781 CB ASN A 53 -14.731 1.031 7.107 1.00 0.00 C ATOM 782 CG ASN A 53 -14.912 0.602 8.553 1.00 0.00 C ATOM 783 OD1 ASN A 53 -14.844 -0.577 8.878 1.00 0.00 O ATOM 784 ND2 ASN A 53 -15.142 1.531 9.458 1.00 0.00 N ATOM 0 H ASN A 53 -11.789 1.270 7.990 1.00 0.00 H new ATOM 0 HA ASN A 53 -12.966 -0.178 6.917 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -15.002 2.082 7.003 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -15.410 0.462 6.472 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -15.265 1.270 10.437 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -15.197 2.511 9.180 1.00 0.00 H new ATOM 791 N THR A 54 -12.035 1.275 4.514 1.00 0.00 N ATOM 792 CA THR A 54 -11.778 1.043 3.083 1.00 0.00 C ATOM 793 C THR A 54 -11.298 -0.377 2.807 1.00 0.00 C ATOM 794 O THR A 54 -11.501 -0.835 1.686 1.00 0.00 O ATOM 795 CB THR A 54 -10.812 2.052 2.432 1.00 0.00 C ATOM 796 OG1 THR A 54 -9.622 2.221 3.175 1.00 0.00 O ATOM 797 CG2 THR A 54 -11.479 3.423 2.311 1.00 0.00 C ATOM 0 H THR A 54 -11.334 1.839 4.995 1.00 0.00 H new ATOM 0 HA THR A 54 -12.751 1.194 2.616 1.00 0.00 H new ATOM 0 HB THR A 54 -10.563 1.645 1.452 1.00 0.00 H new ATOM 0 HG1 THR A 54 -9.773 2.873 3.891 1.00 0.00 H new ATOM 0 HG21 THR A 54 -10.785 4.126 1.850 1.00 0.00 H new ATOM 0 HG22 THR A 54 -12.374 3.339 1.695 1.00 0.00 H new ATOM 0 HG23 THR A 54 -11.754 3.783 3.303 1.00 0.00 H new ATOM 805 N ARG A 55 -10.697 -1.088 3.783 1.00 0.00 N ATOM 806 CA ARG A 55 -10.041 -2.371 3.502 1.00 0.00 C ATOM 807 C ARG A 55 -10.988 -3.414 2.878 1.00 0.00 C ATOM 808 O ARG A 55 -11.937 -3.869 3.516 1.00 0.00 O ATOM 809 CB ARG A 55 -9.109 -2.858 4.637 1.00 0.00 C ATOM 810 CG ARG A 55 -9.608 -3.857 5.696 1.00 0.00 C ATOM 811 CD ARG A 55 -10.573 -3.278 6.732 1.00 0.00 C ATOM 812 NE ARG A 55 -11.917 -3.132 6.174 1.00 0.00 N ATOM 813 CZ ARG A 55 -12.992 -2.700 6.812 1.00 0.00 C ATOM 814 NH1 ARG A 55 -12.974 -2.429 8.095 1.00 0.00 N ATOM 815 NH2 ARG A 55 -14.107 -2.491 6.159 1.00 0.00 N ATOM 0 H ARG A 55 -10.655 -0.796 4.759 1.00 0.00 H new ATOM 0 HA ARG A 55 -9.330 -2.189 2.696 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -8.235 -3.304 4.163 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -8.765 -1.972 5.170 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -10.100 -4.686 5.187 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -8.745 -4.271 6.218 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -10.607 -3.929 7.606 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -10.209 -2.308 7.071 1.00 0.00 H new ATOM 0 HE ARG A 55 -12.037 -3.389 5.194 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -12.114 -2.550 8.630 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -13.820 -2.097 8.558 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -14.149 -2.661 5.154 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -14.934 -2.158 6.655 1.00 0.00 H new ATOM 829 N SER A 56 -10.767 -3.736 1.601 1.00 0.00 N ATOM 830 CA SER A 56 -11.654 -4.540 0.753 1.00 0.00 C ATOM 831 C SER A 56 -10.839 -5.332 -0.271 1.00 0.00 C ATOM 832 O SER A 56 -9.765 -4.894 -0.668 1.00 0.00 O ATOM 833 CB SER A 56 -12.625 -3.604 0.027 1.00 0.00 C ATOM 834 OG SER A 56 -13.563 -4.380 -0.693 1.00 0.00 O ATOM 0 H SER A 56 -9.928 -3.431 1.107 1.00 0.00 H new ATOM 0 HA SER A 56 -12.207 -5.245 1.374 1.00 0.00 H new ATOM 0 HB2 SER A 56 -13.138 -2.964 0.745 1.00 0.00 H new ATOM 0 HB3 SER A 56 -12.079 -2.948 -0.652 1.00 0.00 H new ATOM 0 HG SER A 56 -14.189 -3.787 -1.159 1.00 0.00 H new ATOM 840 N ARG A 57 -11.341 -6.477 -0.754 1.00 0.00 N ATOM 841 CA ARG A 57 -10.609 -7.433 -1.604 1.00 0.00 C ATOM 842 C ARG A 57 -10.541 -7.037 -3.092 1.00 0.00 C ATOM 843 O ARG A 57 -10.462 -7.866 -3.995 1.00 0.00 O ATOM 844 CB ARG A 57 -11.106 -8.855 -1.362 1.00 0.00 C ATOM 845 CG ARG A 57 -9.937 -9.838 -1.541 1.00 0.00 C ATOM 846 CD ARG A 57 -10.430 -11.267 -1.710 1.00 0.00 C ATOM 847 NE ARG A 57 -11.071 -11.778 -0.490 1.00 0.00 N ATOM 848 CZ ARG A 57 -10.520 -12.585 0.408 1.00 0.00 C ATOM 849 NH1 ARG A 57 -9.232 -12.854 0.415 1.00 0.00 N ATOM 850 NH2 ARG A 57 -11.266 -13.125 1.345 1.00 0.00 N ATOM 0 H ARG A 57 -12.297 -6.775 -0.559 1.00 0.00 H new ATOM 0 HA ARG A 57 -9.564 -7.397 -1.295 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -11.519 -8.942 -0.357 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -11.909 -9.096 -2.059 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -9.348 -9.550 -2.412 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -9.276 -9.780 -0.676 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -11.139 -11.310 -2.537 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.591 -11.911 -1.975 1.00 0.00 H new ATOM 0 HE ARG A 57 -12.032 -11.484 -0.317 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -8.620 -12.437 -0.286 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -8.845 -13.480 1.122 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -12.265 -12.924 1.381 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -10.846 -13.746 2.037 1.00 0.00 H new ATOM 864 N GLY A 58 -10.592 -5.731 -3.320 1.00 0.00 N ATOM 865 CA GLY A 58 -10.368 -5.066 -4.600 1.00 0.00 C ATOM 866 C GLY A 58 -10.004 -3.586 -4.439 1.00 0.00 C ATOM 867 O GLY A 58 -10.127 -3.016 -3.355 1.00 0.00 O ATOM 0 H GLY A 58 -10.803 -5.068 -2.574 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -9.568 -5.577 -5.136 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -11.266 -5.151 -5.212 1.00 0.00 H new ATOM 871 N HIS A 59 -9.564 -2.969 -5.542 1.00 0.00 N ATOM 872 CA HIS A 59 -9.181 -1.556 -5.612 1.00 0.00 C ATOM 873 C HIS A 59 -10.361 -0.604 -5.340 1.00 0.00 C ATOM 874 O HIS A 59 -11.527 -0.990 -5.426 1.00 0.00 O ATOM 875 CB HIS A 59 -8.603 -1.258 -7.009 1.00 0.00 C ATOM 876 CG HIS A 59 -7.600 -2.261 -7.525 1.00 0.00 C ATOM 877 ND1 HIS A 59 -7.726 -2.998 -8.683 1.00 0.00 N ATOM 878 CD2 HIS A 59 -6.399 -2.590 -6.957 1.00 0.00 C ATOM 879 CE1 HIS A 59 -6.620 -3.755 -8.802 1.00 0.00 C ATOM 880 NE2 HIS A 59 -5.789 -3.542 -7.774 1.00 0.00 N ATOM 0 H HIS A 59 -9.462 -3.453 -6.434 1.00 0.00 H new ATOM 0 HA HIS A 59 -8.437 -1.382 -4.834 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -9.428 -1.197 -7.719 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -8.130 -0.276 -6.985 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -5.996 -2.185 -6.041 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -6.429 -4.440 -9.615 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -4.885 -3.989 -7.618 1.00 0.00 H new ATOM 888 N HIS A 60 -10.056 0.675 -5.083 1.00 0.00 N ATOM 889 CA HIS A 60 -11.048 1.747 -4.968 1.00 0.00 C ATOM 890 C HIS A 60 -10.439 3.116 -5.331 1.00 0.00 C ATOM 891 O HIS A 60 -9.220 3.280 -5.394 1.00 0.00 O ATOM 892 CB HIS A 60 -11.733 1.732 -3.582 1.00 0.00 C ATOM 893 CG HIS A 60 -11.026 0.951 -2.499 1.00 0.00 C ATOM 894 ND1 HIS A 60 -11.385 -0.287 -2.015 1.00 0.00 N ATOM 895 CD2 HIS A 60 -9.887 1.321 -1.848 1.00 0.00 C ATOM 896 CE1 HIS A 60 -10.489 -0.619 -1.069 1.00 0.00 C ATOM 897 NE2 HIS A 60 -9.554 0.326 -0.948 1.00 0.00 N ATOM 0 H HIS A 60 -9.098 0.997 -4.947 1.00 0.00 H new ATOM 0 HA HIS A 60 -11.836 1.563 -5.698 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -11.846 2.762 -3.244 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -12.737 1.324 -3.700 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -12.182 -0.847 -2.318 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -9.338 2.237 -2.008 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -10.521 -1.527 -0.486 1.00 0.00 H new ATOM 905 N ASN A 61 -11.305 4.103 -5.581 1.00 0.00 N ATOM 906 CA ASN A 61 -10.984 5.405 -6.158 1.00 0.00 C ATOM 907 C ASN A 61 -10.482 6.396 -5.097 1.00 0.00 C ATOM 908 O ASN A 61 -11.119 7.413 -4.822 1.00 0.00 O ATOM 909 CB ASN A 61 -12.210 5.930 -6.931 1.00 0.00 C ATOM 910 CG ASN A 61 -12.630 5.007 -8.068 1.00 0.00 C ATOM 911 OD1 ASN A 61 -11.815 4.491 -8.815 1.00 0.00 O ATOM 912 ND2 ASN A 61 -13.914 4.764 -8.230 1.00 0.00 N ATOM 0 H ASN A 61 -12.299 4.007 -5.374 1.00 0.00 H new ATOM 0 HA ASN A 61 -10.158 5.292 -6.860 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -13.045 6.051 -6.240 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -11.984 6.917 -7.335 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -14.225 4.145 -8.979 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -14.597 5.194 -7.607 1.00 0.00 H new ATOM 919 N CYS A 62 -9.347 6.073 -4.476 1.00 0.00 N ATOM 920 CA CYS A 62 -8.804 6.822 -3.347 1.00 0.00 C ATOM 921 C CYS A 62 -8.466 8.280 -3.690 1.00 0.00 C ATOM 922 O CYS A 62 -7.490 8.559 -4.384 1.00 0.00 O ATOM 923 CB CYS A 62 -7.574 6.119 -2.789 1.00 0.00 C ATOM 924 SG CYS A 62 -7.879 4.427 -2.268 1.00 0.00 S ATOM 0 H CYS A 62 -8.774 5.274 -4.748 1.00 0.00 H new ATOM 0 HA CYS A 62 -9.590 6.852 -2.592 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -6.791 6.120 -3.547 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -7.196 6.688 -1.940 1.00 0.00 H new ATOM 929 N SER A 63 -9.274 9.204 -3.166 1.00 0.00 N ATOM 930 CA SER A 63 -9.195 10.645 -3.388 1.00 0.00 C ATOM 931 C SER A 63 -9.452 11.455 -2.105 1.00 0.00 C ATOM 932 O SER A 63 -9.937 12.585 -2.158 1.00 0.00 O ATOM 933 CB SER A 63 -10.145 11.030 -4.533 1.00 0.00 C ATOM 934 OG SER A 63 -10.073 12.420 -4.767 1.00 0.00 O ATOM 0 H SER A 63 -10.041 8.951 -2.543 1.00 0.00 H new ATOM 0 HA SER A 63 -8.176 10.900 -3.680 1.00 0.00 H new ATOM 0 HB2 SER A 63 -9.878 10.485 -5.438 1.00 0.00 H new ATOM 0 HB3 SER A 63 -11.167 10.747 -4.281 1.00 0.00 H new ATOM 0 HG SER A 63 -9.972 12.891 -3.913 1.00 0.00 H new ATOM 940 N GLU A 64 -9.140 10.860 -0.951 1.00 0.00 N ATOM 941 CA GLU A 64 -9.502 11.355 0.388 1.00 0.00 C ATOM 942 C GLU A 64 -8.364 11.309 1.415 1.00 0.00 C ATOM 943 O GLU A 64 -8.578 11.453 2.617 1.00 0.00 O ATOM 944 CB GLU A 64 -10.791 10.658 0.879 1.00 0.00 C ATOM 945 CG GLU A 64 -10.643 9.166 1.226 1.00 0.00 C ATOM 946 CD GLU A 64 -10.202 8.321 0.031 1.00 0.00 C ATOM 947 OE1 GLU A 64 -11.050 8.066 -0.852 1.00 0.00 O ATOM 948 OE2 GLU A 64 -8.988 8.026 -0.048 1.00 0.00 O ATOM 0 H GLU A 64 -8.610 9.989 -0.917 1.00 0.00 H new ATOM 0 HA GLU A 64 -9.703 12.421 0.286 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -11.155 11.184 1.761 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -11.555 10.760 0.109 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.917 9.055 2.031 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -11.594 8.789 1.601 1.00 0.00 H new ATOM 955 N SER A 65 -7.138 11.153 0.922 1.00 0.00 N ATOM 956 CA SER A 65 -5.902 11.175 1.702 1.00 0.00 C ATOM 957 C SER A 65 -5.763 12.527 2.403 1.00 0.00 C ATOM 958 O SER A 65 -4.754 12.802 3.049 1.00 0.00 O ATOM 959 CB SER A 65 -4.696 10.904 0.793 1.00 0.00 C ATOM 960 OG SER A 65 -4.823 9.643 0.168 1.00 0.00 O ATOM 0 H SER A 65 -6.971 11.002 -0.073 1.00 0.00 H new ATOM 0 HA SER A 65 -5.937 10.391 2.458 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.620 11.685 0.037 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.777 10.936 1.378 1.00 0.00 H new ATOM 0 HG SER A 65 -4.984 8.956 0.848 1.00 0.00 H new TER 966 SER A 65