USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 555 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 67 HIS : no HD1:sc= 0.716 K(o=2,f=-2.8!) USER MOD Set 1.2: A 73 THR OG1 : rot 90:sc= 1.27 USER MOD Set 2.1: A 6 TYR OH : rot 30:sc= 0 USER MOD Set 2.2: A 13 LYS NZ :NH3+ -117:sc= -0.492! (180deg=-1.13!) USER MOD Set 3.1: A 4 HIS : no HD1:sc= 0 X(o=-0.0045,f=-0.24) USER MOD Set 3.2: A 19 SER OG : rot 180:sc=-0.00454 USER MOD Single : A 0 SER OG : rot 180:sc= -0.0163 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -1 GLN : amide:sc= -1.18 K(o=-1.2,f=-5.8!) USER MOD Single : A -1 GLN N :NH3+ -178:sc= -0.369 (180deg=-0.395) USER MOD Single : A 16 SER OG : rot -129:sc= -0.865 USER MOD Single : A 20 SER OG : rot 180:sc=-0.00406 USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 176:sc= 1.26 USER MOD Single : A 26 SER OG : rot 151:sc= 0.0294 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 HIS : no HD1:sc= -0.24 X(o=-0.24,f=-0.35) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 ASN :FLIP amide:sc= -0.0675 F(o=-2.2!,f=-0.068) USER MOD Single : A 38 ASN : amide:sc= -0.286 K(o=-0.29,f=-1.3!) USER MOD Single : A 40 MET CE :methyl -177:sc= -0.857 (180deg=-0.898) USER MOD Single : A 42 SER OG : rot 13:sc= 1.06 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 144:sc= 1.69 (180deg=0.236) USER MOD Single : A 46 ASN : amide:sc= 2.2 K(o=2.2,f=-0.44) USER MOD Single : A 50 HIS : no HE2:sc= -0.247 X(o=-0.25,f=-0.35) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.101 USER MOD Single : A 59 GLN : amide:sc= -0.469 K(o=-0.47,f=-5.4!) USER MOD Single : A 65 ASN : amide:sc= 0.0279 X(o=0.028,f=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=-0.0057) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HD1:sc= -0.0212 X(o=-0.021,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A -1 -2.362 12.669 -12.544 1.00 0.00 N ATOM 2 CA GLN A -1 -3.551 11.793 -12.661 1.00 0.00 C ATOM 3 C GLN A -1 -3.983 11.279 -11.293 1.00 0.00 C ATOM 4 O GLN A -1 -4.814 10.368 -11.206 1.00 0.00 O ATOM 5 CB GLN A -1 -3.246 10.604 -13.580 1.00 0.00 C ATOM 6 CG GLN A -1 -2.952 10.996 -15.020 1.00 0.00 C ATOM 7 CD GLN A -1 -4.172 11.524 -15.756 1.00 0.00 C ATOM 8 OE1 GLN A -1 -5.073 12.117 -15.159 1.00 0.00 O ATOM 9 NE2 GLN A -1 -4.211 11.305 -17.060 1.00 0.00 N ATOM 0 H1 GLN A -1 -2.106 13.034 -13.483 1.00 0.00 H new ATOM 0 H2 GLN A -1 -2.578 13.465 -11.910 1.00 0.00 H new ATOM 0 H3 GLN A -1 -1.566 12.124 -12.156 1.00 0.00 H new ATOM 0 HA GLN A -1 -4.363 12.382 -13.088 1.00 0.00 H new ATOM 0 HB2 GLN A -1 -2.391 10.059 -13.181 1.00 0.00 H new ATOM 0 HB3 GLN A -1 -4.095 9.920 -13.566 1.00 0.00 H new ATOM 0 HG2 GLN A -1 -2.171 11.757 -15.031 1.00 0.00 H new ATOM 0 HG3 GLN A -1 -2.560 10.130 -15.553 1.00 0.00 H new ATOM 0 HE21 GLN A -1 -3.445 10.810 -17.517 1.00 0.00 H new ATOM 0 HE22 GLN A -1 -5.007 11.631 -17.608 1.00 0.00 H new ATOM 20 N SER A 0 -3.418 11.868 -10.229 1.00 0.00 N ATOM 21 CA SER A 0 -3.635 11.399 -8.863 1.00 0.00 C ATOM 22 C SER A 0 -3.066 9.986 -8.719 1.00 0.00 C ATOM 23 O SER A 0 -2.567 9.410 -9.686 1.00 0.00 O ATOM 24 CB SER A 0 -5.133 11.434 -8.515 1.00 0.00 C ATOM 25 OG SER A 0 -5.360 11.226 -7.129 1.00 0.00 O ATOM 0 H SER A 0 -2.802 12.678 -10.296 1.00 0.00 H new ATOM 0 HA SER A 0 -3.120 12.058 -8.164 1.00 0.00 H new ATOM 0 HB2 SER A 0 -5.552 12.396 -8.811 1.00 0.00 H new ATOM 0 HB3 SER A 0 -5.657 10.668 -9.087 1.00 0.00 H new ATOM 0 HG SER A 0 -6.322 11.257 -6.947 1.00 0.00 H new ATOM 31 N MET A 1 -3.100 9.433 -7.520 1.00 0.00 N ATOM 32 CA MET A 1 -2.684 8.055 -7.335 1.00 0.00 C ATOM 33 C MET A 1 -3.909 7.167 -7.337 1.00 0.00 C ATOM 34 O MET A 1 -4.966 7.560 -6.845 1.00 0.00 O ATOM 35 CB MET A 1 -1.917 7.854 -6.028 1.00 0.00 C ATOM 36 CG MET A 1 -0.721 8.774 -5.856 1.00 0.00 C ATOM 37 SD MET A 1 0.206 8.418 -4.350 1.00 0.00 S ATOM 38 CE MET A 1 1.547 9.596 -4.491 1.00 0.00 C ATOM 0 H MET A 1 -3.407 9.909 -6.671 1.00 0.00 H new ATOM 0 HA MET A 1 -2.014 7.794 -8.154 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.600 8.006 -5.193 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.575 6.820 -5.976 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.062 8.674 -6.718 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.062 9.809 -5.834 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.209 9.499 -3.630 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.108 9.401 -5.405 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.141 10.607 -4.524 1.00 0.00 H new ATOM 48 N ALA A 2 -3.767 5.988 -7.900 1.00 0.00 N ATOM 49 CA ALA A 2 -4.862 5.033 -7.966 1.00 0.00 C ATOM 50 C ALA A 2 -4.502 3.765 -7.205 1.00 0.00 C ATOM 51 O ALA A 2 -5.329 2.876 -7.018 1.00 0.00 O ATOM 52 CB ALA A 2 -5.204 4.720 -9.417 1.00 0.00 C ATOM 0 H ALA A 2 -2.898 5.661 -8.323 1.00 0.00 H new ATOM 0 HA ALA A 2 -5.742 5.473 -7.497 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -6.025 4.004 -9.451 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -5.501 5.637 -9.927 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -4.331 4.295 -9.913 1.00 0.00 H new ATOM 58 N LEU A 3 -3.256 3.696 -6.762 1.00 0.00 N ATOM 59 CA LEU A 3 -2.771 2.550 -6.018 1.00 0.00 C ATOM 60 C LEU A 3 -2.272 3.019 -4.666 1.00 0.00 C ATOM 61 O LEU A 3 -1.916 4.185 -4.499 1.00 0.00 O ATOM 62 CB LEU A 3 -1.621 1.809 -6.732 1.00 0.00 C ATOM 63 CG LEU A 3 -1.764 1.551 -8.231 1.00 0.00 C ATOM 64 CD1 LEU A 3 -1.596 2.837 -8.994 1.00 0.00 C ATOM 65 CD2 LEU A 3 -0.735 0.532 -8.697 1.00 0.00 C ATOM 0 H LEU A 3 -2.560 4.427 -6.908 1.00 0.00 H new ATOM 0 HA LEU A 3 -3.604 1.853 -5.924 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -0.706 2.381 -6.576 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -1.484 0.847 -6.238 1.00 0.00 H new ATOM 0 HG LEU A 3 -2.760 1.151 -8.421 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -1.700 2.643 -10.062 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -2.359 3.549 -8.679 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -0.608 3.252 -8.795 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -0.852 0.360 -9.767 1.00 0.00 H new ATOM 0 HD22 LEU A 3 0.268 0.910 -8.497 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -0.883 -0.406 -8.161 1.00 0.00 H new ATOM 77 N HIS A 4 -2.252 2.118 -3.709 1.00 0.00 N ATOM 78 CA HIS A 4 -1.739 2.428 -2.385 1.00 0.00 C ATOM 79 C HIS A 4 -0.336 1.859 -2.247 1.00 0.00 C ATOM 80 O HIS A 4 -0.121 0.654 -2.404 1.00 0.00 O ATOM 81 CB HIS A 4 -2.635 1.855 -1.284 1.00 0.00 C ATOM 82 CG HIS A 4 -4.041 2.388 -1.275 1.00 0.00 C ATOM 83 ND1 HIS A 4 -5.119 1.651 -0.834 1.00 0.00 N ATOM 84 CD2 HIS A 4 -4.539 3.604 -1.619 1.00 0.00 C ATOM 85 CE1 HIS A 4 -6.215 2.386 -0.904 1.00 0.00 C ATOM 86 NE2 HIS A 4 -5.891 3.574 -1.376 1.00 0.00 N ATOM 0 H HIS A 4 -2.585 1.160 -3.820 1.00 0.00 H new ATOM 0 HA HIS A 4 -1.722 3.512 -2.271 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -2.673 0.771 -1.393 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -2.176 2.062 -0.317 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -3.977 4.439 -2.011 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -7.208 2.068 -0.622 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -6.539 4.346 -1.535 1.00 0.00 H new ATOM 95 N TYR A 5 0.604 2.725 -1.934 1.00 0.00 N ATOM 96 CA TYR A 5 2.007 2.346 -1.868 1.00 0.00 C ATOM 97 C TYR A 5 2.402 1.892 -0.472 1.00 0.00 C ATOM 98 O TYR A 5 2.258 2.635 0.498 1.00 0.00 O ATOM 99 CB TYR A 5 2.899 3.514 -2.287 1.00 0.00 C ATOM 100 CG TYR A 5 3.217 3.582 -3.770 1.00 0.00 C ATOM 101 CD1 TYR A 5 2.413 2.959 -4.715 1.00 0.00 C ATOM 102 CD2 TYR A 5 4.330 4.284 -4.220 1.00 0.00 C ATOM 103 CE1 TYR A 5 2.710 3.027 -6.064 1.00 0.00 C ATOM 104 CE2 TYR A 5 4.633 4.356 -5.564 1.00 0.00 C ATOM 105 CZ TYR A 5 3.820 3.727 -6.484 1.00 0.00 C ATOM 106 OH TYR A 5 4.127 3.795 -7.825 1.00 0.00 O ATOM 0 H TYR A 5 0.424 3.706 -1.719 1.00 0.00 H new ATOM 0 HA TYR A 5 2.146 1.512 -2.556 1.00 0.00 H new ATOM 0 HB2 TYR A 5 2.415 4.445 -1.992 1.00 0.00 H new ATOM 0 HB3 TYR A 5 3.836 3.453 -1.733 1.00 0.00 H new ATOM 0 HD1 TYR A 5 1.540 2.412 -4.391 1.00 0.00 H new ATOM 0 HD2 TYR A 5 4.968 4.781 -3.505 1.00 0.00 H new ATOM 0 HE1 TYR A 5 2.075 2.534 -6.785 1.00 0.00 H new ATOM 0 HE2 TYR A 5 5.504 4.903 -5.895 1.00 0.00 H new ATOM 0 HH TYR A 5 4.940 4.328 -7.948 1.00 0.00 H new ATOM 116 N TYR A 6 2.901 0.673 -0.385 1.00 0.00 N ATOM 117 CA TYR A 6 3.449 0.137 0.850 1.00 0.00 C ATOM 118 C TYR A 6 4.803 -0.483 0.536 1.00 0.00 C ATOM 119 O TYR A 6 4.968 -1.111 -0.504 1.00 0.00 O ATOM 120 CB TYR A 6 2.491 -0.893 1.456 1.00 0.00 C ATOM 121 CG TYR A 6 1.113 -0.331 1.713 1.00 0.00 C ATOM 122 CD1 TYR A 6 0.018 -0.726 0.956 1.00 0.00 C ATOM 123 CD2 TYR A 6 0.912 0.613 2.704 1.00 0.00 C ATOM 124 CE1 TYR A 6 -1.240 -0.195 1.185 1.00 0.00 C ATOM 125 CE2 TYR A 6 -0.339 1.145 2.940 1.00 0.00 C ATOM 126 CZ TYR A 6 -1.411 0.742 2.182 1.00 0.00 C ATOM 127 OH TYR A 6 -2.655 1.284 2.424 1.00 0.00 O ATOM 0 H TYR A 6 2.938 0.024 -1.171 1.00 0.00 H new ATOM 0 HA TYR A 6 3.575 0.930 1.587 1.00 0.00 H new ATOM 0 HB2 TYR A 6 2.410 -1.747 0.784 1.00 0.00 H new ATOM 0 HB3 TYR A 6 2.908 -1.263 2.393 1.00 0.00 H new ATOM 0 HD1 TYR A 6 0.150 -1.460 0.175 1.00 0.00 H new ATOM 0 HD2 TYR A 6 1.749 0.939 3.303 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -2.081 -0.512 0.587 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -0.475 1.878 3.721 1.00 0.00 H new ATOM 0 HH TYR A 6 -3.347 0.629 2.195 1.00 0.00 H new ATOM 137 N CYS A 7 5.784 -0.270 1.393 1.00 0.00 N ATOM 138 CA CYS A 7 7.134 -0.687 1.072 1.00 0.00 C ATOM 139 C CYS A 7 7.341 -2.164 1.259 1.00 0.00 C ATOM 140 O CYS A 7 6.821 -2.773 2.190 1.00 0.00 O ATOM 141 CB CYS A 7 8.201 0.052 1.875 1.00 0.00 C ATOM 142 SG CYS A 7 9.855 -0.332 1.227 1.00 0.00 S ATOM 0 H CYS A 7 5.674 0.181 2.301 1.00 0.00 H new ATOM 0 HA CYS A 7 7.249 -0.433 0.018 1.00 0.00 H new ATOM 0 HB2 CYS A 7 8.024 1.126 1.826 1.00 0.00 H new ATOM 0 HB3 CYS A 7 8.139 -0.234 2.925 1.00 0.00 H new ATOM 147 N ARG A 8 8.130 -2.719 0.359 1.00 0.00 N ATOM 148 CA ARG A 8 8.617 -4.062 0.509 1.00 0.00 C ATOM 149 C ARG A 8 9.672 -4.086 1.618 1.00 0.00 C ATOM 150 O ARG A 8 10.610 -3.284 1.634 1.00 0.00 O ATOM 151 CB ARG A 8 9.191 -4.587 -0.810 1.00 0.00 C ATOM 152 CG ARG A 8 10.459 -3.887 -1.245 1.00 0.00 C ATOM 153 CD ARG A 8 11.019 -4.482 -2.517 1.00 0.00 C ATOM 154 NE ARG A 8 12.371 -4.003 -2.761 1.00 0.00 N ATOM 155 CZ ARG A 8 13.084 -4.289 -3.851 1.00 0.00 C ATOM 156 NH1 ARG A 8 12.559 -5.032 -4.817 1.00 0.00 N ATOM 157 NH2 ARG A 8 14.332 -3.845 -3.966 1.00 0.00 N ATOM 0 H ARG A 8 8.446 -2.249 -0.489 1.00 0.00 H new ATOM 0 HA ARG A 8 7.791 -4.718 0.784 1.00 0.00 H new ATOM 0 HB2 ARG A 8 9.392 -5.654 -0.709 1.00 0.00 H new ATOM 0 HB3 ARG A 8 8.440 -4.477 -1.592 1.00 0.00 H new ATOM 0 HG2 ARG A 8 10.255 -2.827 -1.398 1.00 0.00 H new ATOM 0 HG3 ARG A 8 11.204 -3.957 -0.452 1.00 0.00 H new ATOM 0 HD2 ARG A 8 11.021 -5.570 -2.445 1.00 0.00 H new ATOM 0 HD3 ARG A 8 10.378 -4.220 -3.359 1.00 0.00 H new ATOM 0 HE ARG A 8 12.802 -3.410 -2.052 1.00 0.00 H new ATOM 0 HH11 ARG A 8 11.607 -5.387 -4.727 1.00 0.00 H new ATOM 0 HH12 ARG A 8 13.108 -5.249 -5.649 1.00 0.00 H new ATOM 0 HH21 ARG A 8 14.745 -3.285 -3.220 1.00 0.00 H new ATOM 0 HH22 ARG A 8 14.877 -4.064 -4.800 1.00 0.00 H new ATOM 171 N HIS A 9 9.418 -4.942 2.581 1.00 0.00 N ATOM 172 CA HIS A 9 10.313 -5.224 3.719 1.00 0.00 C ATOM 173 C HIS A 9 10.044 -4.263 4.874 1.00 0.00 C ATOM 174 O HIS A 9 9.998 -4.676 6.030 1.00 0.00 O ATOM 175 CB HIS A 9 11.805 -5.195 3.327 1.00 0.00 C ATOM 176 CG HIS A 9 12.742 -5.528 4.461 1.00 0.00 C ATOM 177 ND1 HIS A 9 13.546 -4.592 5.078 1.00 0.00 N ATOM 178 CD2 HIS A 9 13.005 -6.705 5.081 1.00 0.00 C ATOM 179 CE1 HIS A 9 14.258 -5.176 6.022 1.00 0.00 C ATOM 180 NE2 HIS A 9 13.950 -6.457 6.048 1.00 0.00 N ATOM 0 H HIS A 9 8.557 -5.488 2.610 1.00 0.00 H new ATOM 0 HA HIS A 9 10.090 -6.240 4.044 1.00 0.00 H new ATOM 0 HB2 HIS A 9 11.970 -5.901 2.513 1.00 0.00 H new ATOM 0 HB3 HIS A 9 12.051 -4.204 2.945 1.00 0.00 H new ATOM 0 HD2 HIS A 9 12.555 -7.661 4.856 1.00 0.00 H new ATOM 0 HE1 HIS A 9 14.974 -4.686 6.666 1.00 0.00 H new ATOM 0 HE2 HIS A 9 14.347 -7.151 6.682 1.00 0.00 H new ATOM 189 N CYS A 10 9.868 -2.987 4.568 1.00 0.00 N ATOM 190 CA CYS A 10 9.552 -2.006 5.601 1.00 0.00 C ATOM 191 C CYS A 10 8.080 -2.066 5.981 1.00 0.00 C ATOM 192 O CYS A 10 7.721 -2.013 7.159 1.00 0.00 O ATOM 193 CB CYS A 10 9.863 -0.591 5.129 1.00 0.00 C ATOM 194 SG CYS A 10 11.565 -0.303 4.637 1.00 0.00 S ATOM 0 H CYS A 10 9.937 -2.607 3.624 1.00 0.00 H new ATOM 0 HA CYS A 10 10.168 -2.250 6.466 1.00 0.00 H new ATOM 0 HB2 CYS A 10 9.214 -0.356 4.286 1.00 0.00 H new ATOM 0 HB3 CYS A 10 9.611 0.105 5.929 1.00 0.00 H new ATOM 199 N GLY A 11 7.235 -2.179 4.965 1.00 0.00 N ATOM 200 CA GLY A 11 5.806 -2.082 5.165 1.00 0.00 C ATOM 201 C GLY A 11 5.348 -0.643 5.277 1.00 0.00 C ATOM 202 O GLY A 11 4.196 -0.376 5.615 1.00 0.00 O ATOM 0 H GLY A 11 7.519 -2.338 3.998 1.00 0.00 H new ATOM 0 HA2 GLY A 11 5.290 -2.564 4.335 1.00 0.00 H new ATOM 0 HA3 GLY A 11 5.528 -2.623 6.070 1.00 0.00 H new ATOM 206 N VAL A 12 6.248 0.295 4.983 1.00 0.00 N ATOM 207 CA VAL A 12 5.939 1.704 5.122 1.00 0.00 C ATOM 208 C VAL A 12 5.066 2.218 3.993 1.00 0.00 C ATOM 209 O VAL A 12 5.263 1.887 2.830 1.00 0.00 O ATOM 210 CB VAL A 12 7.208 2.575 5.263 1.00 0.00 C ATOM 211 CG1 VAL A 12 8.216 2.282 4.179 1.00 0.00 C ATOM 212 CG2 VAL A 12 6.861 4.038 5.220 1.00 0.00 C ATOM 0 H VAL A 12 7.191 0.098 4.649 1.00 0.00 H new ATOM 0 HA VAL A 12 5.371 1.790 6.049 1.00 0.00 H new ATOM 0 HB VAL A 12 7.650 2.328 6.228 1.00 0.00 H new ATOM 0 HG11 VAL A 12 9.092 2.916 4.316 1.00 0.00 H new ATOM 0 HG12 VAL A 12 8.514 1.235 4.233 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.771 2.483 3.204 1.00 0.00 H new ATOM 0 HG21 VAL A 12 7.770 4.631 5.321 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.380 4.270 4.270 1.00 0.00 H new ATOM 0 HG23 VAL A 12 6.181 4.275 6.038 1.00 0.00 H new ATOM 222 N LYS A 13 4.096 3.030 4.374 1.00 0.00 N ATOM 223 CA LYS A 13 3.152 3.616 3.439 1.00 0.00 C ATOM 224 C LYS A 13 3.846 4.709 2.628 1.00 0.00 C ATOM 225 O LYS A 13 3.969 5.845 3.083 1.00 0.00 O ATOM 226 CB LYS A 13 1.950 4.200 4.201 1.00 0.00 C ATOM 227 CG LYS A 13 1.416 3.292 5.306 1.00 0.00 C ATOM 228 CD LYS A 13 0.280 3.945 6.092 1.00 0.00 C ATOM 229 CE LYS A 13 -1.048 3.886 5.350 1.00 0.00 C ATOM 230 NZ LYS A 13 -1.715 2.564 5.498 1.00 0.00 N ATOM 0 H LYS A 13 3.940 3.303 5.344 1.00 0.00 H new ATOM 0 HA LYS A 13 2.791 2.844 2.760 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.239 5.156 4.638 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.147 4.403 3.492 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.062 2.359 4.868 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.227 3.037 5.988 1.00 0.00 H new ATOM 0 HD2 LYS A 13 0.177 3.448 7.056 1.00 0.00 H new ATOM 0 HD3 LYS A 13 0.534 4.985 6.295 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -1.708 4.668 5.726 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -0.881 4.091 4.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -1.797 2.110 4.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -1.151 1.960 6.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -2.664 2.697 5.902 1.00 0.00 H new ATOM 244 N VAL A 14 4.303 4.363 1.432 1.00 0.00 N ATOM 245 CA VAL A 14 5.049 5.302 0.599 1.00 0.00 C ATOM 246 C VAL A 14 4.094 6.206 -0.165 1.00 0.00 C ATOM 247 O VAL A 14 4.508 7.169 -0.801 1.00 0.00 O ATOM 248 CB VAL A 14 5.963 4.599 -0.436 1.00 0.00 C ATOM 249 CG1 VAL A 14 7.313 5.288 -0.510 1.00 0.00 C ATOM 250 CG2 VAL A 14 6.136 3.118 -0.145 1.00 0.00 C ATOM 0 H VAL A 14 4.172 3.441 1.016 1.00 0.00 H new ATOM 0 HA VAL A 14 5.675 5.875 1.283 1.00 0.00 H new ATOM 0 HB VAL A 14 5.469 4.679 -1.404 1.00 0.00 H new ATOM 0 HG11 VAL A 14 7.941 4.780 -1.242 1.00 0.00 H new ATOM 0 HG12 VAL A 14 7.175 6.327 -0.809 1.00 0.00 H new ATOM 0 HG13 VAL A 14 7.794 5.252 0.468 1.00 0.00 H new ATOM 0 HG21 VAL A 14 6.785 2.672 -0.899 1.00 0.00 H new ATOM 0 HG22 VAL A 14 6.584 2.991 0.840 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.163 2.627 -0.167 1.00 0.00 H new ATOM 260 N GLY A 15 2.819 5.879 -0.110 1.00 0.00 N ATOM 261 CA GLY A 15 1.830 6.633 -0.840 1.00 0.00 C ATOM 262 C GLY A 15 0.443 6.291 -0.375 1.00 0.00 C ATOM 263 O GLY A 15 -0.251 5.478 -0.988 1.00 0.00 O ATOM 0 H GLY A 15 2.448 5.098 0.432 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.009 7.700 -0.707 1.00 0.00 H new ATOM 0 HA3 GLY A 15 1.922 6.425 -1.906 1.00 0.00 H new ATOM 267 N SER A 16 0.058 6.876 0.739 1.00 0.00 N ATOM 268 CA SER A 16 -1.236 6.613 1.323 1.00 0.00 C ATOM 269 C SER A 16 -1.827 7.892 1.894 1.00 0.00 C ATOM 270 O SER A 16 -1.596 8.235 3.053 1.00 0.00 O ATOM 271 CB SER A 16 -1.111 5.555 2.416 1.00 0.00 C ATOM 272 OG SER A 16 -0.488 4.379 1.925 1.00 0.00 O ATOM 0 H SER A 16 0.629 7.541 1.260 1.00 0.00 H new ATOM 0 HA SER A 16 -1.903 6.239 0.546 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.532 5.955 3.248 1.00 0.00 H new ATOM 0 HB3 SER A 16 -2.100 5.311 2.804 1.00 0.00 H new ATOM 0 HG SER A 16 -1.034 3.599 2.156 1.00 0.00 H new ATOM 278 N LEU A 17 -2.577 8.600 1.069 1.00 0.00 N ATOM 279 CA LEU A 17 -3.252 9.808 1.500 1.00 0.00 C ATOM 280 C LEU A 17 -4.741 9.539 1.530 1.00 0.00 C ATOM 281 O LEU A 17 -5.515 10.259 2.162 1.00 0.00 O ATOM 282 CB LEU A 17 -2.933 10.991 0.575 1.00 0.00 C ATOM 283 CG LEU A 17 -3.230 10.776 -0.915 1.00 0.00 C ATOM 284 CD1 LEU A 17 -3.597 12.094 -1.577 1.00 0.00 C ATOM 285 CD2 LEU A 17 -2.029 10.159 -1.622 1.00 0.00 C ATOM 0 H LEU A 17 -2.734 8.356 0.091 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.901 10.080 2.495 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.499 11.857 0.917 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.877 11.237 0.683 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.073 10.090 -0.997 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.805 11.925 -2.634 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.482 12.509 -1.095 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.768 12.794 -1.478 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.262 10.015 -2.677 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.170 10.823 -1.527 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.795 9.196 -1.168 1.00 0.00 H new ATOM 297 N GLU A 18 -5.122 8.476 0.841 1.00 0.00 N ATOM 298 CA GLU A 18 -6.488 8.013 0.818 1.00 0.00 C ATOM 299 C GLU A 18 -6.536 6.539 1.205 1.00 0.00 C ATOM 300 O GLU A 18 -6.933 5.688 0.408 1.00 0.00 O ATOM 301 CB GLU A 18 -7.087 8.207 -0.573 1.00 0.00 C ATOM 302 CG GLU A 18 -7.104 9.649 -1.046 1.00 0.00 C ATOM 303 CD GLU A 18 -7.681 9.792 -2.437 1.00 0.00 C ATOM 304 OE1 GLU A 18 -8.920 9.893 -2.567 1.00 0.00 O ATOM 305 OE2 GLU A 18 -6.901 9.801 -3.412 1.00 0.00 O ATOM 0 H GLU A 18 -4.484 7.911 0.281 1.00 0.00 H new ATOM 0 HA GLU A 18 -7.072 8.592 1.534 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -6.521 7.609 -1.287 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -8.107 7.824 -0.574 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -7.688 10.250 -0.349 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.088 10.045 -1.034 1.00 0.00 H new ATOM 312 N SER A 19 -6.084 6.229 2.411 1.00 0.00 N ATOM 313 CA SER A 19 -6.037 4.845 2.866 1.00 0.00 C ATOM 314 C SER A 19 -6.442 4.713 4.331 1.00 0.00 C ATOM 315 O SER A 19 -6.862 3.643 4.768 1.00 0.00 O ATOM 316 CB SER A 19 -4.632 4.283 2.660 1.00 0.00 C ATOM 317 OG SER A 19 -4.176 4.561 1.348 1.00 0.00 O ATOM 0 H SER A 19 -5.746 6.911 3.090 1.00 0.00 H new ATOM 0 HA SER A 19 -6.754 4.275 2.275 1.00 0.00 H new ATOM 0 HB2 SER A 19 -3.949 4.719 3.389 1.00 0.00 H new ATOM 0 HB3 SER A 19 -4.636 3.206 2.830 1.00 0.00 H new ATOM 0 HG SER A 19 -3.274 4.196 1.231 1.00 0.00 H new ATOM 323 N SER A 20 -6.325 5.801 5.082 1.00 0.00 N ATOM 324 CA SER A 20 -6.606 5.781 6.511 1.00 0.00 C ATOM 325 C SER A 20 -8.055 5.382 6.791 1.00 0.00 C ATOM 326 O SER A 20 -8.316 4.278 7.270 1.00 0.00 O ATOM 327 CB SER A 20 -6.300 7.153 7.122 1.00 0.00 C ATOM 328 OG SER A 20 -6.619 7.192 8.503 1.00 0.00 O ATOM 0 H SER A 20 -6.036 6.711 4.723 1.00 0.00 H new ATOM 0 HA SER A 20 -5.964 5.031 6.973 1.00 0.00 H new ATOM 0 HB2 SER A 20 -5.244 7.386 6.985 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.866 7.921 6.595 1.00 0.00 H new ATOM 0 HG SER A 20 -6.410 8.080 8.862 1.00 0.00 H new ATOM 334 N MET A 21 -8.987 6.281 6.499 1.00 0.00 N ATOM 335 CA MET A 21 -10.399 6.033 6.759 1.00 0.00 C ATOM 336 C MET A 21 -11.186 5.895 5.466 1.00 0.00 C ATOM 337 O MET A 21 -12.389 6.164 5.419 1.00 0.00 O ATOM 338 CB MET A 21 -10.962 7.174 7.580 1.00 0.00 C ATOM 339 CG MET A 21 -10.172 7.438 8.845 1.00 0.00 C ATOM 340 SD MET A 21 -10.251 6.074 10.025 1.00 0.00 S ATOM 341 CE MET A 21 -9.078 6.627 11.263 1.00 0.00 C ATOM 0 H MET A 21 -8.789 7.190 6.081 1.00 0.00 H new ATOM 0 HA MET A 21 -10.489 5.095 7.307 1.00 0.00 H new ATOM 0 HB2 MET A 21 -10.977 8.079 6.972 1.00 0.00 H new ATOM 0 HB3 MET A 21 -11.996 6.949 7.844 1.00 0.00 H new ATOM 0 HG2 MET A 21 -9.130 7.625 8.584 1.00 0.00 H new ATOM 0 HG3 MET A 21 -10.549 8.344 9.320 1.00 0.00 H new ATOM 0 HE1 MET A 21 -9.016 5.887 12.061 1.00 0.00 H new ATOM 0 HE2 MET A 21 -8.097 6.750 10.805 1.00 0.00 H new ATOM 0 HE3 MET A 21 -9.408 7.580 11.677 1.00 0.00 H new ATOM 351 N VAL A 22 -10.492 5.470 4.428 1.00 0.00 N ATOM 352 CA VAL A 22 -11.081 5.306 3.106 1.00 0.00 C ATOM 353 C VAL A 22 -12.200 4.269 3.134 1.00 0.00 C ATOM 354 O VAL A 22 -12.081 3.216 3.765 1.00 0.00 O ATOM 355 CB VAL A 22 -10.011 4.914 2.057 1.00 0.00 C ATOM 356 CG1 VAL A 22 -9.348 3.592 2.403 1.00 0.00 C ATOM 357 CG2 VAL A 22 -10.610 4.862 0.662 1.00 0.00 C ATOM 0 H VAL A 22 -9.502 5.227 4.474 1.00 0.00 H new ATOM 0 HA VAL A 22 -11.505 6.267 2.815 1.00 0.00 H new ATOM 0 HB VAL A 22 -9.242 5.686 2.073 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -8.603 3.349 1.645 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -8.863 3.672 3.376 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -10.101 2.805 2.437 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -9.838 4.585 -0.055 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -11.411 4.123 0.637 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -11.012 5.841 0.402 1.00 0.00 H new ATOM 367 N SER A 23 -13.297 4.600 2.473 1.00 0.00 N ATOM 368 CA SER A 23 -14.460 3.730 2.423 1.00 0.00 C ATOM 369 C SER A 23 -14.206 2.521 1.531 1.00 0.00 C ATOM 370 O SER A 23 -14.286 2.605 0.305 1.00 0.00 O ATOM 371 CB SER A 23 -15.672 4.500 1.914 1.00 0.00 C ATOM 372 OG SER A 23 -15.842 5.710 2.634 1.00 0.00 O ATOM 0 H SER A 23 -13.406 5.474 1.959 1.00 0.00 H new ATOM 0 HA SER A 23 -14.656 3.375 3.435 1.00 0.00 H new ATOM 0 HB2 SER A 23 -15.550 4.718 0.853 1.00 0.00 H new ATOM 0 HB3 SER A 23 -16.566 3.885 2.013 1.00 0.00 H new ATOM 0 HG SER A 23 -16.625 6.189 2.289 1.00 0.00 H new ATOM 378 N THR A 24 -13.890 1.407 2.165 1.00 0.00 N ATOM 379 CA THR A 24 -13.687 0.146 1.473 1.00 0.00 C ATOM 380 C THR A 24 -13.874 -1.014 2.457 1.00 0.00 C ATOM 381 O THR A 24 -12.992 -1.337 3.259 1.00 0.00 O ATOM 382 CB THR A 24 -12.301 0.087 0.775 1.00 0.00 C ATOM 383 OG1 THR A 24 -12.117 -1.174 0.121 1.00 0.00 O ATOM 384 CG2 THR A 24 -11.158 0.331 1.752 1.00 0.00 C ATOM 0 H THR A 24 -13.766 1.350 3.176 1.00 0.00 H new ATOM 0 HA THR A 24 -14.432 0.060 0.682 1.00 0.00 H new ATOM 0 HB THR A 24 -12.285 0.885 0.033 1.00 0.00 H new ATOM 0 HG1 THR A 24 -11.264 -1.171 -0.361 1.00 0.00 H new ATOM 0 HG21 THR A 24 -10.208 0.280 1.220 1.00 0.00 H new ATOM 0 HG22 THR A 24 -11.269 1.317 2.203 1.00 0.00 H new ATOM 0 HG23 THR A 24 -11.178 -0.430 2.532 1.00 0.00 H new ATOM 392 N ASP A 25 -15.053 -1.613 2.415 1.00 0.00 N ATOM 393 CA ASP A 25 -15.434 -2.626 3.393 1.00 0.00 C ATOM 394 C ASP A 25 -15.180 -4.016 2.847 1.00 0.00 C ATOM 395 O ASP A 25 -14.889 -4.956 3.588 1.00 0.00 O ATOM 396 CB ASP A 25 -16.912 -2.471 3.754 1.00 0.00 C ATOM 397 CG ASP A 25 -17.390 -3.517 4.741 1.00 0.00 C ATOM 398 OD1 ASP A 25 -17.912 -4.564 4.303 1.00 0.00 O ATOM 399 OD2 ASP A 25 -17.257 -3.291 5.962 1.00 0.00 O ATOM 0 H ASP A 25 -15.766 -1.416 1.713 1.00 0.00 H new ATOM 0 HA ASP A 25 -14.828 -2.489 4.289 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -17.076 -1.479 4.175 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -17.511 -2.535 2.846 1.00 0.00 H new ATOM 404 N SER A 26 -15.284 -4.129 1.540 1.00 0.00 N ATOM 405 CA SER A 26 -15.165 -5.402 0.871 1.00 0.00 C ATOM 406 C SER A 26 -13.720 -5.632 0.436 1.00 0.00 C ATOM 407 O SER A 26 -13.082 -6.583 0.884 1.00 0.00 O ATOM 408 CB SER A 26 -16.109 -5.417 -0.325 1.00 0.00 C ATOM 409 OG SER A 26 -16.157 -6.691 -0.935 1.00 0.00 O ATOM 0 H SER A 26 -15.453 -3.341 0.914 1.00 0.00 H new ATOM 0 HA SER A 26 -15.439 -6.210 1.550 1.00 0.00 H new ATOM 0 HB2 SER A 26 -17.110 -5.130 -0.003 1.00 0.00 H new ATOM 0 HB3 SER A 26 -15.784 -4.676 -1.055 1.00 0.00 H new ATOM 0 HG SER A 26 -17.032 -6.819 -1.356 1.00 0.00 H new ATOM 415 N LEU A 27 -13.223 -4.738 -0.418 1.00 0.00 N ATOM 416 CA LEU A 27 -11.850 -4.772 -0.912 1.00 0.00 C ATOM 417 C LEU A 27 -11.577 -6.041 -1.721 1.00 0.00 C ATOM 418 O LEU A 27 -11.381 -7.127 -1.170 1.00 0.00 O ATOM 419 CB LEU A 27 -10.853 -4.631 0.246 1.00 0.00 C ATOM 420 CG LEU A 27 -9.530 -3.950 -0.116 1.00 0.00 C ATOM 421 CD1 LEU A 27 -8.749 -3.612 1.140 1.00 0.00 C ATOM 422 CD2 LEU A 27 -8.689 -4.824 -1.036 1.00 0.00 C ATOM 0 H LEU A 27 -13.770 -3.961 -0.790 1.00 0.00 H new ATOM 0 HA LEU A 27 -11.716 -3.923 -1.582 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -11.328 -4.065 1.047 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -10.637 -5.623 0.642 1.00 0.00 H new ATOM 0 HG LEU A 27 -9.765 -3.028 -0.648 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.811 -3.129 0.866 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -9.336 -2.938 1.763 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -8.538 -4.527 1.694 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.757 -4.311 -1.273 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.467 -5.768 -0.538 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -9.240 -5.020 -1.956 1.00 0.00 H new ATOM 434 N GLY A 28 -11.581 -5.890 -3.036 1.00 0.00 N ATOM 435 CA GLY A 28 -11.253 -6.982 -3.925 1.00 0.00 C ATOM 436 C GLY A 28 -9.790 -7.373 -3.839 1.00 0.00 C ATOM 437 O GLY A 28 -8.975 -6.922 -4.644 1.00 0.00 O ATOM 0 H GLY A 28 -11.810 -5.015 -3.509 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -11.873 -7.845 -3.681 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -11.491 -6.698 -4.950 1.00 0.00 H new ATOM 441 N PHE A 29 -9.457 -8.185 -2.843 1.00 0.00 N ATOM 442 CA PHE A 29 -8.098 -8.692 -2.670 1.00 0.00 C ATOM 443 C PHE A 29 -7.709 -9.646 -3.804 1.00 0.00 C ATOM 444 O PHE A 29 -7.185 -9.220 -4.834 1.00 0.00 O ATOM 445 CB PHE A 29 -7.944 -9.407 -1.322 1.00 0.00 C ATOM 446 CG PHE A 29 -7.896 -8.496 -0.133 1.00 0.00 C ATOM 447 CD1 PHE A 29 -9.016 -8.295 0.658 1.00 0.00 C ATOM 448 CD2 PHE A 29 -6.716 -7.859 0.205 1.00 0.00 C ATOM 449 CE1 PHE A 29 -8.955 -7.472 1.766 1.00 0.00 C ATOM 450 CE2 PHE A 29 -6.650 -7.034 1.308 1.00 0.00 C ATOM 451 CZ PHE A 29 -7.770 -6.841 2.091 1.00 0.00 C ATOM 0 H PHE A 29 -10.116 -8.510 -2.135 1.00 0.00 H new ATOM 0 HA PHE A 29 -7.430 -7.831 -2.694 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -8.775 -10.102 -1.197 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -7.031 -10.002 -1.344 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -9.944 -8.786 0.406 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -5.836 -8.009 -0.402 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -9.833 -7.322 2.377 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -5.723 -6.540 1.559 1.00 0.00 H new ATOM 0 HZ PHE A 29 -7.720 -6.197 2.957 1.00 0.00 H new ATOM 461 N GLN A 30 -7.991 -10.931 -3.623 1.00 0.00 N ATOM 462 CA GLN A 30 -7.602 -11.945 -4.583 1.00 0.00 C ATOM 463 C GLN A 30 -8.436 -13.215 -4.422 1.00 0.00 C ATOM 464 O GLN A 30 -8.917 -13.783 -5.406 1.00 0.00 O ATOM 465 CB GLN A 30 -6.117 -12.273 -4.427 1.00 0.00 C ATOM 466 CG GLN A 30 -5.685 -12.582 -2.998 1.00 0.00 C ATOM 467 CD GLN A 30 -4.225 -12.983 -2.903 1.00 0.00 C ATOM 468 OE1 GLN A 30 -3.886 -14.161 -3.014 1.00 0.00 O ATOM 469 NE2 GLN A 30 -3.354 -12.012 -2.694 1.00 0.00 N ATOM 0 H GLN A 30 -8.492 -11.293 -2.812 1.00 0.00 H new ATOM 0 HA GLN A 30 -7.782 -11.547 -5.582 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -5.879 -13.129 -5.058 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -5.531 -11.431 -4.796 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -5.859 -11.706 -2.373 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -6.305 -13.386 -2.601 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -3.676 -11.048 -2.608 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -2.360 -12.226 -2.619 1.00 0.00 H new ATOM 478 N HIS A 31 -8.600 -13.660 -3.183 1.00 0.00 N ATOM 479 CA HIS A 31 -9.328 -14.891 -2.896 1.00 0.00 C ATOM 480 C HIS A 31 -9.877 -14.865 -1.466 1.00 0.00 C ATOM 481 O HIS A 31 -9.567 -15.732 -0.650 1.00 0.00 O ATOM 482 CB HIS A 31 -8.411 -16.107 -3.094 1.00 0.00 C ATOM 483 CG HIS A 31 -9.101 -17.431 -2.925 1.00 0.00 C ATOM 484 ND1 HIS A 31 -8.782 -18.327 -1.924 1.00 0.00 N ATOM 485 CD2 HIS A 31 -10.098 -18.007 -3.635 1.00 0.00 C ATOM 486 CE1 HIS A 31 -9.551 -19.394 -2.031 1.00 0.00 C ATOM 487 NE2 HIS A 31 -10.357 -19.223 -3.060 1.00 0.00 N ATOM 0 H HIS A 31 -8.237 -13.185 -2.357 1.00 0.00 H new ATOM 0 HA HIS A 31 -10.167 -14.970 -3.587 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -7.976 -16.061 -4.092 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -7.587 -16.046 -2.384 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -10.597 -17.586 -4.495 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -9.525 -20.260 -1.386 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -11.061 -19.890 -3.377 1.00 0.00 H new ATOM 496 N LEU A 32 -10.684 -13.865 -1.162 1.00 0.00 N ATOM 497 CA LEU A 32 -11.234 -13.714 0.159 1.00 0.00 C ATOM 498 C LEU A 32 -12.549 -14.476 0.279 1.00 0.00 C ATOM 499 O LEU A 32 -12.597 -15.554 0.868 1.00 0.00 O ATOM 500 CB LEU A 32 -11.445 -12.231 0.455 1.00 0.00 C ATOM 501 CG LEU A 32 -11.890 -11.912 1.867 1.00 0.00 C ATOM 502 CD1 LEU A 32 -10.790 -12.241 2.866 1.00 0.00 C ATOM 503 CD2 LEU A 32 -12.296 -10.453 1.976 1.00 0.00 C ATOM 0 H LEU A 32 -10.971 -13.143 -1.823 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.536 -14.127 0.887 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -10.513 -11.701 0.256 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -12.188 -11.840 -0.240 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.756 -12.530 2.103 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.131 -12.004 3.874 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.548 -13.302 2.805 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.902 -11.653 2.636 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.613 -10.239 2.997 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.447 -9.819 1.719 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.119 -10.252 1.290 1.00 0.00 H new ATOM 515 N THR A 33 -13.601 -13.935 -0.322 1.00 0.00 N ATOM 516 CA THR A 33 -14.939 -14.491 -0.199 1.00 0.00 C ATOM 517 C THR A 33 -15.800 -14.067 -1.378 1.00 0.00 C ATOM 518 O THR A 33 -15.310 -13.436 -2.316 1.00 0.00 O ATOM 519 CB THR A 33 -15.629 -14.031 1.102 1.00 0.00 C ATOM 520 OG1 THR A 33 -15.367 -12.638 1.324 1.00 0.00 O ATOM 521 CG2 THR A 33 -15.169 -14.848 2.301 1.00 0.00 C ATOM 0 H THR A 33 -13.549 -13.101 -0.907 1.00 0.00 H new ATOM 0 HA THR A 33 -14.833 -15.576 -0.180 1.00 0.00 H new ATOM 0 HB THR A 33 -16.702 -14.188 0.988 1.00 0.00 H new ATOM 0 HG1 THR A 33 -15.808 -12.350 2.150 1.00 0.00 H new ATOM 0 HG21 THR A 33 -15.677 -14.495 3.198 1.00 0.00 H new ATOM 0 HG22 THR A 33 -15.408 -15.899 2.139 1.00 0.00 H new ATOM 0 HG23 THR A 33 -14.092 -14.736 2.426 1.00 0.00 H new ATOM 529 N ASN A 34 -17.086 -14.391 -1.324 1.00 0.00 N ATOM 530 CA ASN A 34 -18.017 -13.927 -2.345 1.00 0.00 C ATOM 531 C ASN A 34 -18.171 -12.415 -2.235 1.00 0.00 C ATOM 532 O ASN A 34 -18.430 -11.729 -3.225 1.00 0.00 O ATOM 533 CB ASN A 34 -19.380 -14.620 -2.215 1.00 0.00 C ATOM 534 CG ASN A 34 -19.351 -16.082 -2.637 1.00 0.00 C ATOM 535 OD1 ASN A 34 -18.222 -16.750 -2.437 1.00 0.00 O flip ATOM 536 ND2 ASN A 34 -20.343 -16.615 -3.133 1.00 0.00 N flip ATOM 0 H ASN A 34 -17.505 -14.966 -0.593 1.00 0.00 H new ATOM 0 HA ASN A 34 -17.616 -14.181 -3.326 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -19.717 -14.554 -1.181 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -20.111 -14.087 -2.823 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -21.196 -16.074 -3.274 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -20.312 -17.598 -3.403 1.00 0.00 H new ATOM 543 N GLU A 35 -17.984 -11.908 -1.019 1.00 0.00 N ATOM 544 CA GLU A 35 -18.007 -10.471 -0.757 1.00 0.00 C ATOM 545 C GLU A 35 -16.976 -9.774 -1.622 1.00 0.00 C ATOM 546 O GLU A 35 -17.291 -8.868 -2.392 1.00 0.00 O ATOM 547 CB GLU A 35 -17.669 -10.206 0.709 1.00 0.00 C ATOM 548 CG GLU A 35 -18.464 -11.055 1.673 1.00 0.00 C ATOM 549 CD GLU A 35 -18.130 -10.762 3.120 1.00 0.00 C ATOM 550 OE1 GLU A 35 -18.331 -9.611 3.561 1.00 0.00 O ATOM 551 OE2 GLU A 35 -17.665 -11.683 3.825 1.00 0.00 O ATOM 0 H GLU A 35 -17.813 -12.478 -0.191 1.00 0.00 H new ATOM 0 HA GLU A 35 -19.003 -10.091 -0.985 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -16.606 -10.389 0.867 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -17.848 -9.154 0.931 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -19.528 -10.885 1.508 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -18.273 -12.108 1.466 1.00 0.00 H new ATOM 558 N GLU A 36 -15.745 -10.245 -1.489 1.00 0.00 N ATOM 559 CA GLU A 36 -14.609 -9.702 -2.224 1.00 0.00 C ATOM 560 C GLU A 36 -14.879 -9.631 -3.725 1.00 0.00 C ATOM 561 O GLU A 36 -14.579 -8.623 -4.368 1.00 0.00 O ATOM 562 CB GLU A 36 -13.391 -10.576 -1.963 1.00 0.00 C ATOM 563 CG GLU A 36 -12.213 -10.286 -2.869 1.00 0.00 C ATOM 564 CD GLU A 36 -11.213 -11.412 -2.863 1.00 0.00 C ATOM 565 OE1 GLU A 36 -10.177 -11.292 -2.183 1.00 0.00 O ATOM 566 OE2 GLU A 36 -11.477 -12.443 -3.513 1.00 0.00 O ATOM 0 H GLU A 36 -15.504 -11.017 -0.867 1.00 0.00 H new ATOM 0 HA GLU A 36 -14.433 -8.684 -1.876 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -13.079 -10.445 -0.927 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -13.676 -11.621 -2.080 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -12.569 -10.121 -3.886 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -11.726 -9.365 -2.548 1.00 0.00 H new ATOM 573 N ARG A 37 -15.456 -10.698 -4.267 1.00 0.00 N ATOM 574 CA ARG A 37 -15.715 -10.797 -5.702 1.00 0.00 C ATOM 575 C ARG A 37 -16.567 -9.632 -6.202 1.00 0.00 C ATOM 576 O ARG A 37 -16.353 -9.129 -7.302 1.00 0.00 O ATOM 577 CB ARG A 37 -16.406 -12.121 -6.030 1.00 0.00 C ATOM 578 CG ARG A 37 -15.578 -13.345 -5.678 1.00 0.00 C ATOM 579 CD ARG A 37 -16.309 -14.631 -6.022 1.00 0.00 C ATOM 580 NE ARG A 37 -15.540 -15.815 -5.647 1.00 0.00 N ATOM 581 CZ ARG A 37 -16.063 -17.030 -5.502 1.00 0.00 C ATOM 582 NH1 ARG A 37 -17.357 -17.231 -5.721 1.00 0.00 N ATOM 583 NH2 ARG A 37 -15.289 -18.045 -5.145 1.00 0.00 N ATOM 0 H ARG A 37 -15.756 -11.513 -3.731 1.00 0.00 H new ATOM 0 HA ARG A 37 -14.752 -10.756 -6.211 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -17.354 -12.168 -5.494 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -16.640 -12.145 -7.094 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -14.630 -13.310 -6.214 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -15.343 -13.333 -4.614 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -17.272 -14.648 -5.512 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -16.514 -14.656 -7.092 1.00 0.00 H new ATOM 0 HE ARG A 37 -14.539 -15.703 -5.486 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -17.954 -16.453 -6.001 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -17.754 -18.164 -5.609 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -14.293 -17.894 -4.982 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -15.689 -18.977 -5.034 1.00 0.00 H new ATOM 597 N ASN A 38 -17.515 -9.193 -5.380 1.00 0.00 N ATOM 598 CA ASN A 38 -18.412 -8.105 -5.758 1.00 0.00 C ATOM 599 C ASN A 38 -17.626 -6.806 -5.929 1.00 0.00 C ATOM 600 O ASN A 38 -17.832 -6.063 -6.889 1.00 0.00 O ATOM 601 CB ASN A 38 -19.515 -7.936 -4.704 1.00 0.00 C ATOM 602 CG ASN A 38 -20.644 -7.011 -5.145 1.00 0.00 C ATOM 603 OD1 ASN A 38 -20.437 -6.047 -5.880 1.00 0.00 O ATOM 604 ND2 ASN A 38 -21.857 -7.310 -4.706 1.00 0.00 N ATOM 0 H ASN A 38 -17.682 -9.573 -4.448 1.00 0.00 H new ATOM 0 HA ASN A 38 -18.881 -8.351 -6.711 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -19.931 -8.915 -4.465 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -19.073 -7.545 -3.787 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -22.654 -6.733 -4.977 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -21.995 -8.117 -4.097 1.00 0.00 H new ATOM 611 N ASP A 39 -16.701 -6.556 -5.013 1.00 0.00 N ATOM 612 CA ASP A 39 -15.901 -5.333 -5.045 1.00 0.00 C ATOM 613 C ASP A 39 -14.818 -5.416 -6.114 1.00 0.00 C ATOM 614 O ASP A 39 -14.509 -4.425 -6.778 1.00 0.00 O ATOM 615 CB ASP A 39 -15.265 -5.082 -3.679 1.00 0.00 C ATOM 616 CG ASP A 39 -14.466 -3.793 -3.630 1.00 0.00 C ATOM 617 OD1 ASP A 39 -13.238 -3.842 -3.837 1.00 0.00 O ATOM 618 OD2 ASP A 39 -15.069 -2.723 -3.376 1.00 0.00 O ATOM 0 H ASP A 39 -16.484 -7.182 -4.237 1.00 0.00 H new ATOM 0 HA ASP A 39 -16.563 -4.503 -5.290 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -16.047 -5.049 -2.920 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -14.613 -5.918 -3.428 1.00 0.00 H new ATOM 623 N MET A 40 -14.250 -6.607 -6.272 1.00 0.00 N ATOM 624 CA MET A 40 -13.197 -6.837 -7.256 1.00 0.00 C ATOM 625 C MET A 40 -13.719 -6.643 -8.672 1.00 0.00 C ATOM 626 O MET A 40 -13.047 -6.050 -9.517 1.00 0.00 O ATOM 627 CB MET A 40 -12.623 -8.250 -7.109 1.00 0.00 C ATOM 628 CG MET A 40 -11.518 -8.564 -8.108 1.00 0.00 C ATOM 629 SD MET A 40 -10.918 -10.259 -7.981 1.00 0.00 S ATOM 630 CE MET A 40 -10.306 -10.277 -6.299 1.00 0.00 C ATOM 0 H MET A 40 -14.503 -7.432 -5.728 1.00 0.00 H new ATOM 0 HA MET A 40 -12.408 -6.108 -7.072 1.00 0.00 H new ATOM 0 HB2 MET A 40 -12.233 -8.372 -6.098 1.00 0.00 H new ATOM 0 HB3 MET A 40 -13.428 -8.975 -7.230 1.00 0.00 H new ATOM 0 HG2 MET A 40 -11.888 -8.390 -9.118 1.00 0.00 H new ATOM 0 HG3 MET A 40 -10.687 -7.877 -7.950 1.00 0.00 H new ATOM 0 HE1 MET A 40 -9.853 -11.245 -6.087 1.00 0.00 H new ATOM 0 HE2 MET A 40 -9.560 -9.492 -6.175 1.00 0.00 H new ATOM 0 HE3 MET A 40 -11.132 -10.104 -5.609 1.00 0.00 H new ATOM 640 N ILE A 41 -14.913 -7.151 -8.929 1.00 0.00 N ATOM 641 CA ILE A 41 -15.526 -7.024 -10.239 1.00 0.00 C ATOM 642 C ILE A 41 -16.023 -5.608 -10.449 1.00 0.00 C ATOM 643 O ILE A 41 -16.329 -4.907 -9.486 1.00 0.00 O ATOM 644 CB ILE A 41 -16.663 -8.045 -10.427 1.00 0.00 C ATOM 645 CG1 ILE A 41 -16.084 -9.453 -10.425 1.00 0.00 C ATOM 646 CG2 ILE A 41 -17.449 -7.802 -11.710 1.00 0.00 C ATOM 647 CD1 ILE A 41 -14.847 -9.623 -11.286 1.00 0.00 C ATOM 0 H ILE A 41 -15.477 -7.656 -8.246 1.00 0.00 H new ATOM 0 HA ILE A 41 -14.769 -7.240 -10.993 1.00 0.00 H new ATOM 0 HB ILE A 41 -17.360 -7.927 -9.597 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -15.839 -9.731 -9.400 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -16.850 -10.148 -10.769 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -18.240 -8.547 -11.799 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -17.890 -6.806 -11.683 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -16.780 -7.880 -12.567 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -14.501 -10.655 -11.226 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -15.088 -9.380 -12.321 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -14.062 -8.956 -10.930 1.00 0.00 H new ATOM 659 N SER A 42 -16.066 -5.199 -11.718 1.00 0.00 N ATOM 660 CA SER A 42 -16.267 -3.811 -12.118 1.00 0.00 C ATOM 661 C SER A 42 -15.187 -2.942 -11.487 1.00 0.00 C ATOM 662 O SER A 42 -15.358 -1.732 -11.323 1.00 0.00 O ATOM 663 CB SER A 42 -17.692 -3.293 -11.813 1.00 0.00 C ATOM 664 OG SER A 42 -18.006 -3.323 -10.431 1.00 0.00 O ATOM 0 H SER A 42 -15.960 -5.836 -12.508 1.00 0.00 H new ATOM 0 HA SER A 42 -16.176 -3.754 -13.203 1.00 0.00 H new ATOM 0 HB2 SER A 42 -17.788 -2.271 -12.180 1.00 0.00 H new ATOM 0 HB3 SER A 42 -18.417 -3.897 -12.358 1.00 0.00 H new ATOM 0 HG SER A 42 -17.187 -3.467 -9.912 1.00 0.00 H new ATOM 670 N TYR A 43 -14.080 -3.607 -11.118 1.00 0.00 N ATOM 671 CA TYR A 43 -12.855 -2.936 -10.661 1.00 0.00 C ATOM 672 C TYR A 43 -12.995 -2.413 -9.228 1.00 0.00 C ATOM 673 O TYR A 43 -14.080 -2.021 -8.799 1.00 0.00 O ATOM 674 CB TYR A 43 -12.489 -1.795 -11.625 1.00 0.00 C ATOM 675 CG TYR A 43 -11.106 -1.214 -11.427 1.00 0.00 C ATOM 676 CD1 TYR A 43 -10.909 -0.085 -10.643 1.00 0.00 C ATOM 677 CD2 TYR A 43 -9.999 -1.788 -12.037 1.00 0.00 C ATOM 678 CE1 TYR A 43 -9.649 0.456 -10.477 1.00 0.00 C ATOM 679 CE2 TYR A 43 -8.736 -1.255 -11.873 1.00 0.00 C ATOM 680 CZ TYR A 43 -8.566 -0.134 -11.092 1.00 0.00 C ATOM 681 OH TYR A 43 -7.307 0.403 -10.930 1.00 0.00 O ATOM 0 H TYR A 43 -14.011 -4.625 -11.129 1.00 0.00 H new ATOM 0 HA TYR A 43 -12.050 -3.671 -10.658 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -12.570 -2.163 -12.648 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -13.222 -0.996 -11.515 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -11.754 0.377 -10.155 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -10.128 -2.667 -12.651 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -9.513 1.337 -9.868 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -7.886 -1.715 -12.355 1.00 0.00 H new ATOM 0 HH TYR A 43 -6.656 -0.133 -11.429 1.00 0.00 H new ATOM 691 N LYS A 44 -11.888 -2.422 -8.485 1.00 0.00 N ATOM 692 CA LYS A 44 -11.873 -1.894 -7.122 1.00 0.00 C ATOM 693 C LYS A 44 -11.861 -0.368 -7.156 1.00 0.00 C ATOM 694 O LYS A 44 -10.801 0.258 -7.101 1.00 0.00 O ATOM 695 CB LYS A 44 -10.658 -2.405 -6.329 1.00 0.00 C ATOM 696 CG LYS A 44 -10.680 -3.896 -6.013 1.00 0.00 C ATOM 697 CD LYS A 44 -10.202 -4.747 -7.182 1.00 0.00 C ATOM 698 CE LYS A 44 -8.718 -4.543 -7.469 1.00 0.00 C ATOM 699 NZ LYS A 44 -7.860 -4.909 -6.309 1.00 0.00 N ATOM 0 H LYS A 44 -10.991 -2.789 -8.804 1.00 0.00 H new ATOM 0 HA LYS A 44 -12.774 -2.245 -6.619 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -9.753 -2.181 -6.894 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -10.594 -1.851 -5.393 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.049 -4.090 -5.145 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -11.694 -4.192 -5.743 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.388 -5.799 -6.964 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -10.781 -4.499 -8.072 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.432 -5.143 -8.333 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -8.542 -3.500 -7.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.978 -5.339 -6.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.638 -4.055 -5.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.365 -5.589 -5.705 1.00 0.00 H new ATOM 713 N GLU A 45 -13.049 0.219 -7.237 1.00 0.00 N ATOM 714 CA GLU A 45 -13.203 1.663 -7.396 1.00 0.00 C ATOM 715 C GLU A 45 -12.745 2.432 -6.160 1.00 0.00 C ATOM 716 O GLU A 45 -12.603 3.653 -6.203 1.00 0.00 O ATOM 717 CB GLU A 45 -14.661 2.006 -7.711 1.00 0.00 C ATOM 718 CG GLU A 45 -15.104 1.576 -9.090 1.00 0.00 C ATOM 719 CD GLU A 45 -14.424 2.358 -10.193 1.00 0.00 C ATOM 720 OE1 GLU A 45 -14.950 3.417 -10.587 1.00 0.00 O ATOM 721 OE2 GLU A 45 -13.359 1.920 -10.675 1.00 0.00 O ATOM 0 H GLU A 45 -13.932 -0.290 -7.195 1.00 0.00 H new ATOM 0 HA GLU A 45 -12.566 1.966 -8.227 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -15.304 1.533 -6.969 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -14.800 3.083 -7.614 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -14.893 0.514 -9.220 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -16.184 1.700 -9.175 1.00 0.00 H new ATOM 728 N ASN A 46 -12.509 1.725 -5.063 1.00 0.00 N ATOM 729 CA ASN A 46 -12.088 2.376 -3.829 1.00 0.00 C ATOM 730 C ASN A 46 -10.599 2.714 -3.889 1.00 0.00 C ATOM 731 O ASN A 46 -10.086 3.449 -3.043 1.00 0.00 O ATOM 732 CB ASN A 46 -12.369 1.496 -2.603 1.00 0.00 C ATOM 733 CG ASN A 46 -13.608 0.634 -2.754 1.00 0.00 C ATOM 734 OD1 ASN A 46 -14.730 1.069 -2.490 1.00 0.00 O ATOM 735 ND2 ASN A 46 -13.404 -0.611 -3.150 1.00 0.00 N ATOM 0 H ASN A 46 -12.601 0.711 -5.001 1.00 0.00 H new ATOM 0 HA ASN A 46 -12.666 3.295 -3.729 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -11.508 0.853 -2.421 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -12.483 2.133 -1.726 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -14.192 -1.251 -3.247 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -12.458 -0.931 -3.359 1.00 0.00 H new ATOM 742 N GLY A 47 -9.914 2.184 -4.901 1.00 0.00 N ATOM 743 CA GLY A 47 -8.493 2.448 -5.063 1.00 0.00 C ATOM 744 C GLY A 47 -7.637 1.395 -4.390 1.00 0.00 C ATOM 745 O GLY A 47 -6.501 1.659 -3.992 1.00 0.00 O ATOM 0 H GLY A 47 -10.319 1.576 -5.613 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -8.251 2.487 -6.125 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.257 3.427 -4.646 1.00 0.00 H new ATOM 749 N ASP A 48 -8.186 0.197 -4.263 1.00 0.00 N ATOM 750 CA ASP A 48 -7.550 -0.864 -3.493 1.00 0.00 C ATOM 751 C ASP A 48 -6.470 -1.585 -4.294 1.00 0.00 C ATOM 752 O ASP A 48 -6.633 -2.753 -4.669 1.00 0.00 O ATOM 753 CB ASP A 48 -8.595 -1.879 -3.033 1.00 0.00 C ATOM 754 CG ASP A 48 -9.822 -1.223 -2.444 1.00 0.00 C ATOM 755 OD1 ASP A 48 -10.787 -1.006 -3.201 1.00 0.00 O ATOM 756 OD2 ASP A 48 -9.821 -0.921 -1.231 1.00 0.00 O ATOM 0 H ASP A 48 -9.076 -0.067 -4.686 1.00 0.00 H new ATOM 0 HA ASP A 48 -7.077 -0.395 -2.630 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -8.890 -2.500 -3.879 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -8.150 -2.542 -2.291 1.00 0.00 H new ATOM 761 N VAL A 49 -5.370 -0.894 -4.560 1.00 0.00 N ATOM 762 CA VAL A 49 -4.215 -1.525 -5.180 1.00 0.00 C ATOM 763 C VAL A 49 -3.035 -1.496 -4.217 1.00 0.00 C ATOM 764 O VAL A 49 -2.302 -0.516 -4.141 1.00 0.00 O ATOM 765 CB VAL A 49 -3.818 -0.864 -6.512 1.00 0.00 C ATOM 766 CG1 VAL A 49 -2.940 -1.810 -7.312 1.00 0.00 C ATOM 767 CG2 VAL A 49 -5.049 -0.466 -7.313 1.00 0.00 C ATOM 0 H VAL A 49 -5.254 0.099 -4.357 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.493 -2.555 -5.405 1.00 0.00 H new ATOM 0 HB VAL A 49 -3.256 0.045 -6.296 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.661 -1.338 -8.254 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -2.040 -2.041 -6.742 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -3.487 -2.730 -7.515 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.739 -0.001 -8.249 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -5.646 -1.353 -7.528 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -5.645 0.242 -6.737 1.00 0.00 H new ATOM 777 N HIS A 50 -2.882 -2.581 -3.474 1.00 0.00 N ATOM 778 CA HIS A 50 -1.843 -2.707 -2.462 1.00 0.00 C ATOM 779 C HIS A 50 -0.538 -3.141 -3.114 1.00 0.00 C ATOM 780 O HIS A 50 -0.286 -4.331 -3.284 1.00 0.00 O ATOM 781 CB HIS A 50 -2.294 -3.735 -1.414 1.00 0.00 C ATOM 782 CG HIS A 50 -1.402 -3.872 -0.213 1.00 0.00 C ATOM 783 ND1 HIS A 50 -1.815 -3.550 1.061 1.00 0.00 N ATOM 784 CD2 HIS A 50 -0.139 -4.347 -0.086 1.00 0.00 C ATOM 785 CE1 HIS A 50 -0.848 -3.820 1.917 1.00 0.00 C ATOM 786 NE2 HIS A 50 0.181 -4.305 1.248 1.00 0.00 N ATOM 0 H HIS A 50 -3.478 -3.404 -3.556 1.00 0.00 H new ATOM 0 HA HIS A 50 -1.677 -1.747 -1.974 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -3.293 -3.465 -1.073 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -2.374 -4.709 -1.897 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -2.727 -3.163 1.305 1.00 0.00 H new ATOM 0 HD2 HIS A 50 0.498 -4.694 -0.886 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -0.891 -3.669 2.986 1.00 0.00 H new ATOM 795 N VAL A 51 0.281 -2.176 -3.486 1.00 0.00 N ATOM 796 CA VAL A 51 1.539 -2.467 -4.153 1.00 0.00 C ATOM 797 C VAL A 51 2.709 -2.331 -3.196 1.00 0.00 C ATOM 798 O VAL A 51 2.786 -1.374 -2.424 1.00 0.00 O ATOM 799 CB VAL A 51 1.772 -1.555 -5.375 1.00 0.00 C ATOM 800 CG1 VAL A 51 0.957 -2.031 -6.561 1.00 0.00 C ATOM 801 CG2 VAL A 51 1.435 -0.115 -5.050 1.00 0.00 C ATOM 0 H VAL A 51 0.099 -1.183 -3.338 1.00 0.00 H new ATOM 0 HA VAL A 51 1.473 -3.498 -4.501 1.00 0.00 H new ATOM 0 HB VAL A 51 2.829 -1.608 -5.635 1.00 0.00 H new ATOM 0 HG11 VAL A 51 1.136 -1.374 -7.412 1.00 0.00 H new ATOM 0 HG12 VAL A 51 1.251 -3.048 -6.820 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.102 -2.013 -6.305 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.608 0.506 -5.929 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.388 -0.044 -4.756 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.066 0.230 -4.231 1.00 0.00 H new ATOM 811 N LEU A 52 3.605 -3.303 -3.243 1.00 0.00 N ATOM 812 CA LEU A 52 4.800 -3.276 -2.425 1.00 0.00 C ATOM 813 C LEU A 52 5.966 -2.762 -3.246 1.00 0.00 C ATOM 814 O LEU A 52 6.458 -3.445 -4.147 1.00 0.00 O ATOM 815 CB LEU A 52 5.097 -4.667 -1.867 1.00 0.00 C ATOM 816 CG LEU A 52 3.996 -5.242 -0.976 1.00 0.00 C ATOM 817 CD1 LEU A 52 4.390 -6.607 -0.447 1.00 0.00 C ATOM 818 CD2 LEU A 52 3.699 -4.294 0.173 1.00 0.00 C ATOM 0 H LEU A 52 3.524 -4.124 -3.843 1.00 0.00 H new ATOM 0 HA LEU A 52 4.642 -2.604 -1.581 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.267 -5.350 -2.700 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.024 -4.625 -1.295 1.00 0.00 H new ATOM 0 HG LEU A 52 3.094 -5.357 -1.577 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.592 -6.997 0.184 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.556 -7.287 -1.283 1.00 0.00 H new ATOM 0 HD13 LEU A 52 5.306 -6.520 0.138 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.913 -4.716 0.799 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.600 -4.151 0.769 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.370 -3.333 -0.224 1.00 0.00 H new ATOM 830 N THR A 53 6.395 -1.555 -2.934 1.00 0.00 N ATOM 831 CA THR A 53 7.406 -0.878 -3.720 1.00 0.00 C ATOM 832 C THR A 53 8.578 -0.449 -2.839 1.00 0.00 C ATOM 833 O THR A 53 8.619 -0.756 -1.647 1.00 0.00 O ATOM 834 CB THR A 53 6.787 0.347 -4.439 1.00 0.00 C ATOM 835 OG1 THR A 53 7.718 0.924 -5.366 1.00 0.00 O ATOM 836 CG2 THR A 53 6.344 1.403 -3.437 1.00 0.00 C ATOM 0 H THR A 53 6.055 -1.020 -2.135 1.00 0.00 H new ATOM 0 HA THR A 53 7.785 -1.571 -4.471 1.00 0.00 H new ATOM 0 HB THR A 53 5.914 -0.005 -4.988 1.00 0.00 H new ATOM 0 HG1 THR A 53 7.304 1.694 -5.809 1.00 0.00 H new ATOM 0 HG21 THR A 53 5.913 2.251 -3.969 1.00 0.00 H new ATOM 0 HG22 THR A 53 5.597 0.978 -2.767 1.00 0.00 H new ATOM 0 HG23 THR A 53 7.204 1.737 -2.857 1.00 0.00 H new ATOM 844 N ILE A 54 9.527 0.246 -3.440 1.00 0.00 N ATOM 845 CA ILE A 54 10.708 0.727 -2.742 1.00 0.00 C ATOM 846 C ILE A 54 10.442 2.094 -2.118 1.00 0.00 C ATOM 847 O ILE A 54 9.998 3.020 -2.797 1.00 0.00 O ATOM 848 CB ILE A 54 11.909 0.820 -3.716 1.00 0.00 C ATOM 849 CG1 ILE A 54 12.484 -0.563 -3.991 1.00 0.00 C ATOM 850 CG2 ILE A 54 12.988 1.733 -3.176 1.00 0.00 C ATOM 851 CD1 ILE A 54 13.406 -0.609 -5.193 1.00 0.00 C ATOM 0 H ILE A 54 9.501 0.494 -4.429 1.00 0.00 H new ATOM 0 HA ILE A 54 10.948 0.019 -1.949 1.00 0.00 H new ATOM 0 HB ILE A 54 11.543 1.244 -4.651 1.00 0.00 H new ATOM 0 HG12 ILE A 54 13.031 -0.901 -3.111 1.00 0.00 H new ATOM 0 HG13 ILE A 54 11.664 -1.264 -4.146 1.00 0.00 H new ATOM 0 HG21 ILE A 54 13.816 1.776 -3.884 1.00 0.00 H new ATOM 0 HG22 ILE A 54 12.580 2.734 -3.034 1.00 0.00 H new ATOM 0 HG23 ILE A 54 13.346 1.348 -2.221 1.00 0.00 H new ATOM 0 HD11 ILE A 54 13.778 -1.625 -5.328 1.00 0.00 H new ATOM 0 HD12 ILE A 54 12.858 -0.302 -6.084 1.00 0.00 H new ATOM 0 HD13 ILE A 54 14.246 0.066 -5.033 1.00 0.00 H new ATOM 863 N CYS A 55 10.694 2.214 -0.821 1.00 0.00 N ATOM 864 CA CYS A 55 10.550 3.497 -0.148 1.00 0.00 C ATOM 865 C CYS A 55 11.809 4.335 -0.349 1.00 0.00 C ATOM 866 O CYS A 55 12.828 3.811 -0.802 1.00 0.00 O ATOM 867 CB CYS A 55 10.260 3.313 1.351 1.00 0.00 C ATOM 868 SG CYS A 55 11.665 2.737 2.341 1.00 0.00 S ATOM 0 H CYS A 55 10.996 1.447 -0.220 1.00 0.00 H new ATOM 0 HA CYS A 55 9.700 4.019 -0.588 1.00 0.00 H new ATOM 0 HB2 CYS A 55 9.914 4.263 1.758 1.00 0.00 H new ATOM 0 HB3 CYS A 55 9.441 2.602 1.462 1.00 0.00 H new ATOM 873 N GLU A 56 11.741 5.617 -0.015 1.00 0.00 N ATOM 874 CA GLU A 56 12.883 6.520 -0.164 1.00 0.00 C ATOM 875 C GLU A 56 14.108 5.959 0.551 1.00 0.00 C ATOM 876 O GLU A 56 15.217 5.971 0.014 1.00 0.00 O ATOM 877 CB GLU A 56 12.520 7.890 0.410 1.00 0.00 C ATOM 878 CG GLU A 56 13.611 8.935 0.284 1.00 0.00 C ATOM 879 CD GLU A 56 13.185 10.275 0.840 1.00 0.00 C ATOM 880 OE1 GLU A 56 13.381 10.511 2.053 1.00 0.00 O ATOM 881 OE2 GLU A 56 12.643 11.098 0.073 1.00 0.00 O ATOM 0 H GLU A 56 10.904 6.060 0.363 1.00 0.00 H new ATOM 0 HA GLU A 56 13.123 6.619 -1.223 1.00 0.00 H new ATOM 0 HB2 GLU A 56 11.625 8.255 -0.094 1.00 0.00 H new ATOM 0 HB3 GLU A 56 12.267 7.773 1.464 1.00 0.00 H new ATOM 0 HG2 GLU A 56 14.502 8.592 0.809 1.00 0.00 H new ATOM 0 HG3 GLU A 56 13.883 9.049 -0.765 1.00 0.00 H new ATOM 888 N ASP A 57 13.892 5.437 1.753 1.00 0.00 N ATOM 889 CA ASP A 57 14.981 4.890 2.551 1.00 0.00 C ATOM 890 C ASP A 57 15.574 3.645 1.894 1.00 0.00 C ATOM 891 O ASP A 57 16.782 3.418 1.953 1.00 0.00 O ATOM 892 CB ASP A 57 14.505 4.566 3.965 1.00 0.00 C ATOM 893 CG ASP A 57 15.601 3.943 4.803 1.00 0.00 C ATOM 894 OD1 ASP A 57 16.570 4.649 5.145 1.00 0.00 O ATOM 895 OD2 ASP A 57 15.500 2.740 5.122 1.00 0.00 O ATOM 0 H ASP A 57 12.974 5.381 2.195 1.00 0.00 H new ATOM 0 HA ASP A 57 15.762 5.648 2.611 1.00 0.00 H new ATOM 0 HB2 ASP A 57 14.154 5.478 4.447 1.00 0.00 H new ATOM 0 HB3 ASP A 57 13.656 3.885 3.915 1.00 0.00 H new ATOM 900 N CYS A 58 14.730 2.849 1.250 1.00 0.00 N ATOM 901 CA CYS A 58 15.207 1.673 0.540 1.00 0.00 C ATOM 902 C CYS A 58 15.994 2.073 -0.697 1.00 0.00 C ATOM 903 O CYS A 58 17.128 1.664 -0.842 1.00 0.00 O ATOM 904 CB CYS A 58 14.054 0.753 0.160 1.00 0.00 C ATOM 905 SG CYS A 58 13.538 -0.355 1.485 1.00 0.00 S ATOM 0 H CYS A 58 13.722 2.995 1.205 1.00 0.00 H new ATOM 0 HA CYS A 58 15.869 1.127 1.212 1.00 0.00 H new ATOM 0 HB2 CYS A 58 13.202 1.361 -0.145 1.00 0.00 H new ATOM 0 HB3 CYS A 58 14.347 0.158 -0.705 1.00 0.00 H new ATOM 910 N GLN A 59 15.389 2.890 -1.563 1.00 0.00 N ATOM 911 CA GLN A 59 16.059 3.460 -2.732 1.00 0.00 C ATOM 912 C GLN A 59 17.405 4.078 -2.338 1.00 0.00 C ATOM 913 O GLN A 59 18.359 4.071 -3.118 1.00 0.00 O ATOM 914 CB GLN A 59 15.164 4.514 -3.390 1.00 0.00 C ATOM 915 CG GLN A 59 15.195 4.499 -4.917 1.00 0.00 C ATOM 916 CD GLN A 59 16.565 4.793 -5.487 1.00 0.00 C ATOM 917 OE1 GLN A 59 17.349 3.883 -5.765 1.00 0.00 O ATOM 918 NE2 GLN A 59 16.862 6.069 -5.658 1.00 0.00 N ATOM 0 H GLN A 59 14.414 3.176 -1.471 1.00 0.00 H new ATOM 0 HA GLN A 59 16.246 2.659 -3.447 1.00 0.00 H new ATOM 0 HB2 GLN A 59 14.137 4.361 -3.057 1.00 0.00 H new ATOM 0 HB3 GLN A 59 15.468 5.501 -3.042 1.00 0.00 H new ATOM 0 HG2 GLN A 59 14.863 3.523 -5.271 1.00 0.00 H new ATOM 0 HG3 GLN A 59 14.485 5.234 -5.296 1.00 0.00 H new ATOM 0 HE21 GLN A 59 16.181 6.788 -5.414 1.00 0.00 H new ATOM 0 HE22 GLN A 59 17.772 6.335 -6.034 1.00 0.00 H new ATOM 927 N GLU A 60 17.477 4.622 -1.133 1.00 0.00 N ATOM 928 CA GLU A 60 18.720 5.159 -0.622 1.00 0.00 C ATOM 929 C GLU A 60 19.790 4.072 -0.534 1.00 0.00 C ATOM 930 O GLU A 60 20.874 4.208 -1.095 1.00 0.00 O ATOM 931 CB GLU A 60 18.500 5.765 0.747 1.00 0.00 C ATOM 932 CG GLU A 60 19.323 6.999 0.992 1.00 0.00 C ATOM 933 CD GLU A 60 19.032 8.108 0.000 1.00 0.00 C ATOM 934 OE1 GLU A 60 18.164 8.957 0.290 1.00 0.00 O ATOM 935 OE2 GLU A 60 19.677 8.141 -1.069 1.00 0.00 O ATOM 0 H GLU A 60 16.686 4.701 -0.493 1.00 0.00 H new ATOM 0 HA GLU A 60 19.064 5.930 -1.311 1.00 0.00 H new ATOM 0 HB2 GLU A 60 17.445 6.012 0.862 1.00 0.00 H new ATOM 0 HB3 GLU A 60 18.738 5.022 1.508 1.00 0.00 H new ATOM 0 HG2 GLU A 60 19.132 7.362 2.002 1.00 0.00 H new ATOM 0 HG3 GLU A 60 20.381 6.741 0.941 1.00 0.00 H new ATOM 942 N ALA A 61 19.478 2.996 0.176 1.00 0.00 N ATOM 943 CA ALA A 61 20.365 1.838 0.252 1.00 0.00 C ATOM 944 C ALA A 61 20.507 1.201 -1.123 1.00 0.00 C ATOM 945 O ALA A 61 21.547 0.651 -1.478 1.00 0.00 O ATOM 946 CB ALA A 61 19.823 0.816 1.243 1.00 0.00 C ATOM 0 H ALA A 61 18.614 2.899 0.710 1.00 0.00 H new ATOM 0 HA ALA A 61 21.344 2.172 0.595 1.00 0.00 H new ATOM 0 HB1 ALA A 61 20.496 -0.040 1.287 1.00 0.00 H new ATOM 0 HB2 ALA A 61 19.749 1.271 2.231 1.00 0.00 H new ATOM 0 HB3 ALA A 61 18.836 0.485 0.921 1.00 0.00 H new ATOM 952 N LEU A 62 19.431 1.302 -1.870 1.00 0.00 N ATOM 953 CA LEU A 62 19.268 0.669 -3.172 1.00 0.00 C ATOM 954 C LEU A 62 20.301 1.155 -4.185 1.00 0.00 C ATOM 955 O LEU A 62 21.112 0.381 -4.688 1.00 0.00 O ATOM 956 CB LEU A 62 17.896 1.091 -3.662 1.00 0.00 C ATOM 957 CG LEU A 62 16.836 0.031 -3.918 1.00 0.00 C ATOM 958 CD1 LEU A 62 17.260 -0.896 -5.020 1.00 0.00 C ATOM 959 CD2 LEU A 62 16.487 -0.736 -2.654 1.00 0.00 C ATOM 0 H LEU A 62 18.615 1.843 -1.584 1.00 0.00 H new ATOM 0 HA LEU A 62 19.389 -0.410 -3.075 1.00 0.00 H new ATOM 0 HB2 LEU A 62 17.489 1.791 -2.932 1.00 0.00 H new ATOM 0 HB3 LEU A 62 18.036 1.644 -4.591 1.00 0.00 H new ATOM 0 HG LEU A 62 15.930 0.545 -4.240 1.00 0.00 H new ATOM 0 HD11 LEU A 62 16.485 -1.645 -5.184 1.00 0.00 H new ATOM 0 HD12 LEU A 62 17.413 -0.326 -5.936 1.00 0.00 H new ATOM 0 HD13 LEU A 62 18.190 -1.391 -4.741 1.00 0.00 H new ATOM 0 HD21 LEU A 62 15.726 -1.483 -2.880 1.00 0.00 H new ATOM 0 HD22 LEU A 62 17.379 -1.231 -2.271 1.00 0.00 H new ATOM 0 HD23 LEU A 62 16.104 -0.045 -1.903 1.00 0.00 H new ATOM 971 N ASP A 63 20.249 2.448 -4.477 1.00 0.00 N ATOM 972 CA ASP A 63 21.127 3.058 -5.476 1.00 0.00 C ATOM 973 C ASP A 63 22.553 3.225 -4.958 1.00 0.00 C ATOM 974 O ASP A 63 23.523 3.022 -5.692 1.00 0.00 O ATOM 975 CB ASP A 63 20.561 4.408 -5.933 1.00 0.00 C ATOM 976 CG ASP A 63 21.474 5.115 -6.915 1.00 0.00 C ATOM 977 OD1 ASP A 63 22.152 6.087 -6.517 1.00 0.00 O ATOM 978 OD2 ASP A 63 21.514 4.701 -8.096 1.00 0.00 O ATOM 0 H ASP A 63 19.604 3.102 -4.034 1.00 0.00 H new ATOM 0 HA ASP A 63 21.168 2.382 -6.330 1.00 0.00 H new ATOM 0 HB2 ASP A 63 19.586 4.252 -6.395 1.00 0.00 H new ATOM 0 HB3 ASP A 63 20.404 5.046 -5.063 1.00 0.00 H new ATOM 983 N ARG A 64 22.672 3.581 -3.687 1.00 0.00 N ATOM 984 CA ARG A 64 23.967 3.860 -3.080 1.00 0.00 C ATOM 985 C ARG A 64 24.740 2.568 -2.841 1.00 0.00 C ATOM 986 O ARG A 64 25.961 2.532 -3.002 1.00 0.00 O ATOM 987 CB ARG A 64 23.760 4.589 -1.753 1.00 0.00 C ATOM 988 CG ARG A 64 25.018 5.231 -1.194 1.00 0.00 C ATOM 989 CD ARG A 64 25.554 6.292 -2.138 1.00 0.00 C ATOM 990 NE ARG A 64 26.683 7.020 -1.578 1.00 0.00 N ATOM 991 CZ ARG A 64 27.465 7.817 -2.297 1.00 0.00 C ATOM 992 NH1 ARG A 64 27.252 7.957 -3.599 1.00 0.00 N ATOM 993 NH2 ARG A 64 28.464 8.466 -1.721 1.00 0.00 N ATOM 0 H ARG A 64 21.881 3.684 -3.051 1.00 0.00 H new ATOM 0 HA ARG A 64 24.544 4.487 -3.759 1.00 0.00 H new ATOM 0 HB2 ARG A 64 23.002 5.360 -1.889 1.00 0.00 H new ATOM 0 HB3 ARG A 64 23.369 3.883 -1.020 1.00 0.00 H new ATOM 0 HG2 ARG A 64 24.802 5.678 -0.224 1.00 0.00 H new ATOM 0 HG3 ARG A 64 25.778 4.467 -1.031 1.00 0.00 H new ATOM 0 HD2 ARG A 64 25.858 5.821 -3.073 1.00 0.00 H new ATOM 0 HD3 ARG A 64 24.757 6.995 -2.379 1.00 0.00 H new ATOM 0 HE ARG A 64 26.884 6.913 -0.584 1.00 0.00 H new ATOM 0 HH11 ARG A 64 26.488 7.452 -4.048 1.00 0.00 H new ATOM 0 HH12 ARG A 64 27.853 8.569 -4.151 1.00 0.00 H new ATOM 0 HH21 ARG A 64 28.635 8.355 -0.722 1.00 0.00 H new ATOM 0 HH22 ARG A 64 29.063 9.077 -2.276 1.00 0.00 H new ATOM 1007 N ASN A 65 24.019 1.516 -2.473 1.00 0.00 N ATOM 1008 CA ASN A 65 24.617 0.220 -2.145 1.00 0.00 C ATOM 1009 C ASN A 65 25.711 0.357 -1.086 1.00 0.00 C ATOM 1010 O ASN A 65 26.886 0.093 -1.357 1.00 0.00 O ATOM 1011 CB ASN A 65 25.195 -0.460 -3.388 1.00 0.00 C ATOM 1012 CG ASN A 65 24.139 -0.798 -4.422 1.00 0.00 C ATOM 1013 OD1 ASN A 65 23.508 -1.856 -4.361 1.00 0.00 O ATOM 1014 ND2 ASN A 65 23.950 0.084 -5.390 1.00 0.00 N ATOM 0 H ASN A 65 23.002 1.533 -2.392 1.00 0.00 H new ATOM 0 HA ASN A 65 23.816 -0.400 -1.743 1.00 0.00 H new ATOM 0 HB2 ASN A 65 25.942 0.194 -3.839 1.00 0.00 H new ATOM 0 HB3 ASN A 65 25.709 -1.374 -3.090 1.00 0.00 H new ATOM 0 HD21 ASN A 65 23.262 -0.100 -6.121 1.00 0.00 H new ATOM 0 HD22 ASN A 65 24.492 0.948 -5.406 1.00 0.00 H new ATOM 1021 N PRO A 66 25.347 0.782 0.135 1.00 0.00 N ATOM 1022 CA PRO A 66 26.288 0.895 1.238 1.00 0.00 C ATOM 1023 C PRO A 66 26.496 -0.454 1.918 1.00 0.00 C ATOM 1024 O PRO A 66 27.530 -1.097 1.743 1.00 0.00 O ATOM 1025 CB PRO A 66 25.617 1.899 2.194 1.00 0.00 C ATOM 1026 CG PRO A 66 24.305 2.261 1.558 1.00 0.00 C ATOM 1027 CD PRO A 66 24.008 1.190 0.552 1.00 0.00 C ATOM 0 HA PRO A 66 27.277 1.220 0.916 1.00 0.00 H new ATOM 0 HB2 PRO A 66 25.465 1.458 3.179 1.00 0.00 H new ATOM 0 HB3 PRO A 66 26.240 2.782 2.333 1.00 0.00 H new ATOM 0 HG2 PRO A 66 23.515 2.320 2.306 1.00 0.00 H new ATOM 0 HG3 PRO A 66 24.363 3.238 1.078 1.00 0.00 H new ATOM 0 HD2 PRO A 66 23.448 0.364 0.990 1.00 0.00 H new ATOM 0 HD3 PRO A 66 23.418 1.568 -0.283 1.00 0.00 H new ATOM 1035 N HIS A 67 25.502 -0.883 2.685 1.00 0.00 N ATOM 1036 CA HIS A 67 25.528 -2.206 3.296 1.00 0.00 C ATOM 1037 C HIS A 67 24.257 -2.980 2.958 1.00 0.00 C ATOM 1038 O HIS A 67 24.301 -4.197 2.820 1.00 0.00 O ATOM 1039 CB HIS A 67 25.725 -2.110 4.811 1.00 0.00 C ATOM 1040 CG HIS A 67 27.112 -1.700 5.203 1.00 0.00 C ATOM 1041 ND1 HIS A 67 28.028 -2.569 5.756 1.00 0.00 N ATOM 1042 CD2 HIS A 67 27.746 -0.507 5.104 1.00 0.00 C ATOM 1043 CE1 HIS A 67 29.161 -1.929 5.976 1.00 0.00 C ATOM 1044 NE2 HIS A 67 29.015 -0.680 5.590 1.00 0.00 N ATOM 0 H HIS A 67 24.669 -0.335 2.899 1.00 0.00 H new ATOM 0 HA HIS A 67 26.378 -2.751 2.885 1.00 0.00 H new ATOM 0 HB2 HIS A 67 25.013 -1.393 5.218 1.00 0.00 H new ATOM 0 HB3 HIS A 67 25.498 -3.076 5.262 1.00 0.00 H new ATOM 0 HD2 HIS A 67 27.329 0.410 4.714 1.00 0.00 H new ATOM 0 HE1 HIS A 67 30.056 -2.358 6.401 1.00 0.00 H new ATOM 0 HE2 HIS A 67 29.732 0.044 5.644 1.00 0.00 H new ATOM 1053 N TYR A 68 23.144 -2.235 2.819 1.00 0.00 N ATOM 1054 CA TYR A 68 21.827 -2.724 2.340 1.00 0.00 C ATOM 1055 C TYR A 68 21.254 -3.910 3.130 1.00 0.00 C ATOM 1056 O TYR A 68 20.175 -3.798 3.715 1.00 0.00 O ATOM 1057 CB TYR A 68 21.803 -2.989 0.811 1.00 0.00 C ATOM 1058 CG TYR A 68 22.959 -3.789 0.233 1.00 0.00 C ATOM 1059 CD1 TYR A 68 22.928 -5.177 0.199 1.00 0.00 C ATOM 1060 CD2 TYR A 68 24.076 -3.146 -0.293 1.00 0.00 C ATOM 1061 CE1 TYR A 68 23.975 -5.903 -0.337 1.00 0.00 C ATOM 1062 CE2 TYR A 68 25.126 -3.864 -0.830 1.00 0.00 C ATOM 1063 CZ TYR A 68 25.071 -5.242 -0.848 1.00 0.00 C ATOM 1064 OH TYR A 68 26.117 -5.963 -1.384 1.00 0.00 O ATOM 0 H TYR A 68 23.131 -1.240 3.044 1.00 0.00 H new ATOM 0 HA TYR A 68 21.151 -1.893 2.541 1.00 0.00 H new ATOM 0 HB2 TYR A 68 20.876 -3.511 0.572 1.00 0.00 H new ATOM 0 HB3 TYR A 68 21.768 -2.027 0.301 1.00 0.00 H new ATOM 0 HD1 TYR A 68 22.071 -5.698 0.598 1.00 0.00 H new ATOM 0 HD2 TYR A 68 24.122 -2.067 -0.281 1.00 0.00 H new ATOM 0 HE1 TYR A 68 23.934 -6.982 -0.355 1.00 0.00 H new ATOM 0 HE2 TYR A 68 25.986 -3.349 -1.234 1.00 0.00 H new ATOM 0 HH TYR A 68 26.810 -5.347 -1.701 1.00 0.00 H new ATOM 1074 N HIS A 69 21.964 -5.022 3.141 1.00 0.00 N ATOM 1075 CA HIS A 69 21.540 -6.229 3.844 1.00 0.00 C ATOM 1076 C HIS A 69 21.305 -5.940 5.324 1.00 0.00 C ATOM 1077 O HIS A 69 20.342 -6.420 5.919 1.00 0.00 O ATOM 1078 CB HIS A 69 22.609 -7.316 3.677 1.00 0.00 C ATOM 1079 CG HIS A 69 22.405 -8.528 4.532 1.00 0.00 C ATOM 1080 ND1 HIS A 69 23.318 -8.941 5.482 1.00 0.00 N ATOM 1081 CD2 HIS A 69 21.392 -9.424 4.575 1.00 0.00 C ATOM 1082 CE1 HIS A 69 22.874 -10.037 6.067 1.00 0.00 C ATOM 1083 NE2 HIS A 69 21.709 -10.350 5.535 1.00 0.00 N ATOM 0 H HIS A 69 22.858 -5.119 2.660 1.00 0.00 H new ATOM 0 HA HIS A 69 20.599 -6.576 3.416 1.00 0.00 H new ATOM 0 HB2 HIS A 69 22.634 -7.625 2.632 1.00 0.00 H new ATOM 0 HB3 HIS A 69 23.584 -6.886 3.906 1.00 0.00 H new ATOM 0 HD2 HIS A 69 20.500 -9.412 3.966 1.00 0.00 H new ATOM 0 HE1 HIS A 69 23.379 -10.585 6.849 1.00 0.00 H new ATOM 0 HE2 HIS A 69 21.136 -11.152 5.796 1.00 0.00 H new ATOM 1092 N GLU A 70 22.190 -5.149 5.897 1.00 0.00 N ATOM 1093 CA GLU A 70 22.115 -4.799 7.302 1.00 0.00 C ATOM 1094 C GLU A 70 22.562 -3.360 7.491 1.00 0.00 C ATOM 1095 O GLU A 70 23.409 -2.865 6.746 1.00 0.00 O ATOM 1096 CB GLU A 70 22.989 -5.744 8.126 1.00 0.00 C ATOM 1097 CG GLU A 70 24.401 -5.882 7.582 1.00 0.00 C ATOM 1098 CD GLU A 70 25.251 -6.825 8.398 1.00 0.00 C ATOM 1099 OE1 GLU A 70 26.079 -6.338 9.196 1.00 0.00 O ATOM 1100 OE2 GLU A 70 25.103 -8.056 8.243 1.00 0.00 O ATOM 0 H GLU A 70 22.979 -4.732 5.404 1.00 0.00 H new ATOM 0 HA GLU A 70 21.085 -4.898 7.645 1.00 0.00 H new ATOM 0 HB2 GLU A 70 23.036 -5.382 9.153 1.00 0.00 H new ATOM 0 HB3 GLU A 70 22.521 -6.728 8.156 1.00 0.00 H new ATOM 0 HG2 GLU A 70 24.356 -6.238 6.553 1.00 0.00 H new ATOM 0 HG3 GLU A 70 24.874 -4.900 7.559 1.00 0.00 H new ATOM 1107 N TYR A 71 21.989 -2.687 8.473 1.00 0.00 N ATOM 1108 CA TYR A 71 22.314 -1.295 8.717 1.00 0.00 C ATOM 1109 C TYR A 71 23.616 -1.177 9.492 1.00 0.00 C ATOM 1110 O TYR A 71 23.669 -1.481 10.683 1.00 0.00 O ATOM 1111 CB TYR A 71 21.184 -0.594 9.474 1.00 0.00 C ATOM 1112 CG TYR A 71 21.473 0.865 9.759 1.00 0.00 C ATOM 1113 CD1 TYR A 71 21.422 1.811 8.744 1.00 0.00 C ATOM 1114 CD2 TYR A 71 21.807 1.291 11.038 1.00 0.00 C ATOM 1115 CE1 TYR A 71 21.698 3.142 8.994 1.00 0.00 C ATOM 1116 CE2 TYR A 71 22.081 2.620 11.297 1.00 0.00 C ATOM 1117 CZ TYR A 71 22.027 3.542 10.273 1.00 0.00 C ATOM 1118 OH TYR A 71 22.311 4.866 10.530 1.00 0.00 O ATOM 0 H TYR A 71 21.299 -3.081 9.112 1.00 0.00 H new ATOM 0 HA TYR A 71 22.436 -0.805 7.751 1.00 0.00 H new ATOM 0 HB2 TYR A 71 20.265 -0.669 8.893 1.00 0.00 H new ATOM 0 HB3 TYR A 71 21.009 -1.114 10.416 1.00 0.00 H new ATOM 0 HD1 TYR A 71 21.162 1.502 7.742 1.00 0.00 H new ATOM 0 HD2 TYR A 71 21.853 0.572 11.843 1.00 0.00 H new ATOM 0 HE1 TYR A 71 21.656 3.865 8.193 1.00 0.00 H new ATOM 0 HE2 TYR A 71 22.337 2.936 12.298 1.00 0.00 H new ATOM 0 HH TYR A 71 22.522 4.977 11.481 1.00 0.00 H new ATOM 1128 N HIS A 72 24.660 -0.746 8.790 1.00 0.00 N ATOM 1129 CA HIS A 72 25.972 -0.485 9.382 1.00 0.00 C ATOM 1130 C HIS A 72 26.614 -1.758 9.938 1.00 0.00 C ATOM 1131 O HIS A 72 26.277 -2.220 11.028 1.00 0.00 O ATOM 1132 CB HIS A 72 25.870 0.582 10.481 1.00 0.00 C ATOM 1133 CG HIS A 72 27.198 1.097 10.949 1.00 0.00 C ATOM 1134 ND1 HIS A 72 27.729 2.294 10.523 1.00 0.00 N ATOM 1135 CD2 HIS A 72 28.105 0.573 11.809 1.00 0.00 C ATOM 1136 CE1 HIS A 72 28.902 2.481 11.093 1.00 0.00 C ATOM 1137 NE2 HIS A 72 29.154 1.453 11.878 1.00 0.00 N ATOM 0 H HIS A 72 24.621 -0.566 7.787 1.00 0.00 H new ATOM 0 HA HIS A 72 26.615 -0.112 8.585 1.00 0.00 H new ATOM 0 HB2 HIS A 72 25.277 1.418 10.109 1.00 0.00 H new ATOM 0 HB3 HIS A 72 25.333 0.164 11.332 1.00 0.00 H new ATOM 0 HD2 HIS A 72 28.018 -0.363 12.341 1.00 0.00 H new ATOM 0 HE1 HIS A 72 29.548 3.333 10.942 1.00 0.00 H new ATOM 0 HE2 HIS A 72 29.993 1.332 12.445 1.00 0.00 H new ATOM 1146 N THR A 73 27.546 -2.309 9.183 1.00 0.00 N ATOM 1147 CA THR A 73 28.318 -3.451 9.635 1.00 0.00 C ATOM 1148 C THR A 73 29.570 -2.968 10.360 1.00 0.00 C ATOM 1149 O THR A 73 30.389 -2.267 9.726 1.00 0.00 O ATOM 1150 CB THR A 73 28.719 -4.358 8.455 1.00 0.00 C ATOM 1151 OG1 THR A 73 27.565 -4.638 7.650 1.00 0.00 O ATOM 1152 CG2 THR A 73 29.321 -5.664 8.952 1.00 0.00 C ATOM 1153 OXT THR A 73 29.724 -3.272 11.559 1.00 0.00 O ATOM 0 H THR A 73 27.788 -1.981 8.248 1.00 0.00 H new ATOM 0 HA THR A 73 27.697 -4.034 10.316 1.00 0.00 H new ATOM 0 HB THR A 73 29.469 -3.837 7.860 1.00 0.00 H new ATOM 0 HG1 THR A 73 27.478 -3.954 6.954 1.00 0.00 H new ATOM 0 HG21 THR A 73 29.595 -6.286 8.100 1.00 0.00 H new ATOM 0 HG22 THR A 73 30.209 -5.452 9.547 1.00 0.00 H new ATOM 0 HG23 THR A 73 28.590 -6.191 9.565 1.00 0.00 H new TER 1161 THR A 73 HETATM 1162 ZN ZN A 101 11.630 0.448 2.462 1.00 0.00 ZN