USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 649 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 Single : A 32 THR OG1 : rot 180:sc= -0.499 USER MOD Single : A 33 SER OG : rot 180:sc= 0.0171 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.311 X(o=-0.31,f=-0.21) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HE2:sc= -0.438 X(o=-0.44,f=-0.81) USER MOD Single : A 42 GLN : amide:sc= -1.4 X(o=-1.4,f=-1.6) USER MOD Single : A 46 SER OG : rot 91:sc= -0.0298 USER MOD Single : A 53 GLN :FLIP amide:sc= -0.765 F(o=-2.2,f=-0.77) USER MOD Single : A 54 HIS : no HD1:sc= -1.53 K(o=-1.5,f=-2.7!) USER MOD Single : A 58 SER OG : rot 170:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= -0.279 X(o=-0.28,f=-0.075) USER MOD Single : A 64 SER OG : rot 180:sc= 0.0472 USER MOD Single : A 67 ASN : amide:sc= -5.78 K(o=-5.8,f=-20!) USER MOD Single : A 69 TYR OH : rot 180:sc= -0.64 USER MOD Single : A 70 ASN : amide:sc=-0.000138 X(o=-0.00014,f=-0.35) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= -0.564 X(o=-0.56,f=-0.13) USER MOD Single : A 76 THR OG1 : rot 83:sc= -1.76! USER MOD Single : A 77 GLN : amide:sc= 0.167 X(o=0.17,f=-0.083) USER MOD Single : A 79 THR OG1 : rot -13:sc= -0.656 USER MOD Single : A 82 MET CE :methyl -163:sc= -0.772 (180deg=-1.19) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= -0.0734 X(o=-0.073,f=-0.47) USER MOD Single : A 87 HIS : no HD1:sc= -2.93 K(o=-2.9,f=-8.2!) USER MOD Single : A 103 HIS : no HD1:sc= -1.4 K(o=-1.4,f=-2.2!) USER MOD Single : A 105 ASN : amide:sc= -4.28! C(o=-4.3!,f=-14!) USER MOD Single : A 109 MET CE :methyl -124:sc= -15! (180deg=-26!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot 65:sc= 0.459 USER MOD Single : A 117 SER OG : rot 108:sc= 0.0768 USER MOD Single : A 119 MET CE :methyl 179:sc= -4.09! (180deg=-4.1) USER MOD Single : A 124 GLN : amide:sc= -0.571 K(o=-0.57,f=-1.7) USER MOD Single : A 125 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 127 MET CE :methyl -136:sc= -2.67 (180deg=-4.82!) USER MOD ----------------------------------------------------------------- ATOM 43 N THR A 32 -13.955 11.161 -7.268 1.00 0.00 N ATOM 44 CA THR A 32 -15.205 10.588 -6.780 1.00 0.00 C ATOM 45 C THR A 32 -14.994 9.869 -5.452 1.00 0.00 C ATOM 46 O THR A 32 -13.941 9.275 -5.218 1.00 0.00 O ATOM 47 CB THR A 32 -15.782 9.615 -7.810 1.00 0.00 C ATOM 48 OG1 THR A 32 -15.025 8.418 -7.847 1.00 0.00 O ATOM 49 CG2 THR A 32 -15.818 10.179 -9.213 1.00 0.00 C ATOM 0 HA THR A 32 -15.910 11.404 -6.624 1.00 0.00 H new ATOM 0 HB THR A 32 -16.806 9.426 -7.487 1.00 0.00 H new ATOM 0 HG1 THR A 32 -15.410 7.808 -8.510 1.00 0.00 H new ATOM 0 HG21 THR A 32 -16.238 9.438 -9.893 1.00 0.00 H new ATOM 0 HG22 THR A 32 -16.436 11.077 -9.228 1.00 0.00 H new ATOM 0 HG23 THR A 32 -14.806 10.430 -9.530 1.00 0.00 H new ATOM 57 N SER A 33 -16.002 9.924 -4.586 1.00 0.00 N ATOM 58 CA SER A 33 -15.926 9.275 -3.282 1.00 0.00 C ATOM 59 C SER A 33 -15.556 7.802 -3.430 1.00 0.00 C ATOM 60 O SER A 33 -14.832 7.246 -2.604 1.00 0.00 O ATOM 61 CB SER A 33 -17.260 9.406 -2.546 1.00 0.00 C ATOM 62 OG SER A 33 -18.351 9.286 -3.443 1.00 0.00 O ATOM 0 H SER A 33 -16.880 10.411 -4.764 1.00 0.00 H new ATOM 0 HA SER A 33 -15.148 9.771 -2.701 1.00 0.00 H new ATOM 0 HB2 SER A 33 -17.331 8.637 -1.777 1.00 0.00 H new ATOM 0 HB3 SER A 33 -17.306 10.370 -2.039 1.00 0.00 H new ATOM 0 HG SER A 33 -19.192 9.372 -2.948 1.00 0.00 H new ATOM 68 N SER A 34 -16.055 7.179 -4.493 1.00 0.00 N ATOM 69 CA SER A 34 -15.774 5.772 -4.754 1.00 0.00 C ATOM 70 C SER A 34 -14.333 5.584 -5.216 1.00 0.00 C ATOM 71 O SER A 34 -13.738 4.528 -5.008 1.00 0.00 O ATOM 72 CB SER A 34 -16.736 5.224 -5.810 1.00 0.00 C ATOM 73 OG SER A 34 -17.963 4.824 -5.224 1.00 0.00 O ATOM 0 H SER A 34 -16.655 7.626 -5.186 1.00 0.00 H new ATOM 0 HA SER A 34 -15.915 5.220 -3.825 1.00 0.00 H new ATOM 0 HB2 SER A 34 -16.922 5.986 -6.567 1.00 0.00 H new ATOM 0 HB3 SER A 34 -16.278 4.375 -6.318 1.00 0.00 H new ATOM 0 HG SER A 34 -18.561 4.479 -5.920 1.00 0.00 H new ATOM 79 N GLN A 35 -13.777 6.616 -5.843 1.00 0.00 N ATOM 80 CA GLN A 35 -12.405 6.561 -6.332 1.00 0.00 C ATOM 81 C GLN A 35 -11.417 6.555 -5.174 1.00 0.00 C ATOM 82 O GLN A 35 -10.502 5.733 -5.129 1.00 0.00 O ATOM 83 CB GLN A 35 -12.123 7.743 -7.254 1.00 0.00 C ATOM 84 CG GLN A 35 -10.715 7.749 -7.827 1.00 0.00 C ATOM 85 CD GLN A 35 -10.388 6.476 -8.583 1.00 0.00 C ATOM 86 OE1 GLN A 35 -11.211 5.959 -9.338 1.00 0.00 O ATOM 87 NE2 GLN A 35 -9.179 5.964 -8.384 1.00 0.00 N ATOM 0 H GLN A 35 -14.255 7.499 -6.024 1.00 0.00 H new ATOM 0 HA GLN A 35 -12.282 5.636 -6.895 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -12.840 7.731 -8.075 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -12.285 8.669 -6.703 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -10.602 8.603 -8.495 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -9.998 7.881 -7.017 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -8.528 6.426 -7.749 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -8.902 5.109 -8.866 1.00 0.00 H new ATOM 96 N LEU A 36 -11.611 7.473 -4.231 1.00 0.00 N ATOM 97 CA LEU A 36 -10.739 7.564 -3.067 1.00 0.00 C ATOM 98 C LEU A 36 -10.638 6.209 -2.376 1.00 0.00 C ATOM 99 O LEU A 36 -9.549 5.754 -2.029 1.00 0.00 O ATOM 100 CB LEU A 36 -11.265 8.616 -2.089 1.00 0.00 C ATOM 101 CG LEU A 36 -11.283 10.048 -2.628 1.00 0.00 C ATOM 102 CD1 LEU A 36 -12.021 10.970 -1.670 1.00 0.00 C ATOM 103 CD2 LEU A 36 -9.865 10.545 -2.864 1.00 0.00 C ATOM 0 H LEU A 36 -12.363 8.162 -4.251 1.00 0.00 H new ATOM 0 HA LEU A 36 -9.745 7.863 -3.400 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -12.278 8.342 -1.794 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -10.653 8.591 -1.188 1.00 0.00 H new ATOM 0 HG LEU A 36 -11.812 10.051 -3.581 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -12.023 11.984 -2.070 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -13.048 10.624 -1.551 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -11.521 10.963 -0.701 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -9.896 11.565 -3.247 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -9.312 10.527 -1.925 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -9.369 9.900 -3.589 1.00 0.00 H new ATOM 115 N LEU A 37 -11.785 5.563 -2.196 1.00 0.00 N ATOM 116 CA LEU A 37 -11.825 4.252 -1.566 1.00 0.00 C ATOM 117 C LEU A 37 -11.477 3.159 -2.575 1.00 0.00 C ATOM 118 O LEU A 37 -11.027 2.078 -2.199 1.00 0.00 O ATOM 119 CB LEU A 37 -13.204 3.994 -0.946 1.00 0.00 C ATOM 120 CG LEU A 37 -14.300 3.574 -1.928 1.00 0.00 C ATOM 121 CD1 LEU A 37 -14.333 2.060 -2.074 1.00 0.00 C ATOM 122 CD2 LEU A 37 -15.654 4.097 -1.471 1.00 0.00 C ATOM 0 H LEU A 37 -12.696 5.926 -2.477 1.00 0.00 H new ATOM 0 HA LEU A 37 -11.081 4.232 -0.770 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -13.103 3.217 -0.188 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -13.528 4.900 -0.433 1.00 0.00 H new ATOM 0 HG LEU A 37 -14.075 4.008 -2.902 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -15.118 1.779 -2.776 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -13.371 1.709 -2.447 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -14.534 1.605 -1.104 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -16.422 3.789 -2.181 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -15.887 3.692 -0.486 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -15.625 5.185 -1.418 1.00 0.00 H new ATOM 134 N SER A 38 -11.682 3.448 -3.862 1.00 0.00 N ATOM 135 CA SER A 38 -11.380 2.481 -4.912 1.00 0.00 C ATOM 136 C SER A 38 -9.898 2.125 -4.906 1.00 0.00 C ATOM 137 O SER A 38 -9.519 0.991 -5.198 1.00 0.00 O ATOM 138 CB SER A 38 -11.772 3.037 -6.280 1.00 0.00 C ATOM 139 OG SER A 38 -11.221 2.255 -7.326 1.00 0.00 O ATOM 0 H SER A 38 -12.053 4.337 -4.197 1.00 0.00 H new ATOM 0 HA SER A 38 -11.959 1.578 -4.716 1.00 0.00 H new ATOM 0 HB2 SER A 38 -12.858 3.057 -6.370 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.426 4.067 -6.370 1.00 0.00 H new ATOM 0 HG SER A 38 -11.488 2.631 -8.191 1.00 0.00 H new ATOM 145 N VAL A 39 -9.064 3.105 -4.573 1.00 0.00 N ATOM 146 CA VAL A 39 -7.622 2.896 -4.531 1.00 0.00 C ATOM 147 C VAL A 39 -7.193 2.280 -3.204 1.00 0.00 C ATOM 148 O VAL A 39 -6.290 1.446 -3.164 1.00 0.00 O ATOM 149 CB VAL A 39 -6.846 4.207 -4.757 1.00 0.00 C ATOM 150 CG1 VAL A 39 -6.830 4.565 -6.234 1.00 0.00 C ATOM 151 CG2 VAL A 39 -7.443 5.337 -3.932 1.00 0.00 C ATOM 0 H VAL A 39 -9.362 4.050 -4.329 1.00 0.00 H new ATOM 0 HA VAL A 39 -7.384 2.207 -5.342 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.817 4.059 -4.429 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.278 5.494 -6.377 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.348 3.766 -6.797 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -7.853 4.693 -6.589 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -6.879 6.253 -4.108 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -8.482 5.490 -4.222 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -7.396 5.079 -2.874 1.00 0.00 H new ATOM 161 N ARG A 40 -7.847 2.683 -2.118 1.00 0.00 N ATOM 162 CA ARG A 40 -7.518 2.145 -0.804 1.00 0.00 C ATOM 163 C ARG A 40 -7.833 0.651 -0.755 1.00 0.00 C ATOM 164 O ARG A 40 -7.218 -0.100 0.001 1.00 0.00 O ATOM 165 CB ARG A 40 -8.275 2.905 0.296 1.00 0.00 C ATOM 166 CG ARG A 40 -8.467 2.120 1.588 1.00 0.00 C ATOM 167 CD ARG A 40 -9.870 1.542 1.686 1.00 0.00 C ATOM 168 NE ARG A 40 -10.237 1.233 3.066 1.00 0.00 N ATOM 169 CZ ARG A 40 -11.493 1.111 3.491 1.00 0.00 C ATOM 170 NH1 ARG A 40 -12.506 1.259 2.646 1.00 0.00 N ATOM 171 NH2 ARG A 40 -11.737 0.836 4.765 1.00 0.00 N ATOM 0 H ARG A 40 -8.599 3.372 -2.122 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.451 2.277 -0.627 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.736 3.825 0.521 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.253 3.195 -0.087 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -7.736 1.313 1.637 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.280 2.771 2.442 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.585 2.252 1.271 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -9.933 0.637 1.082 1.00 0.00 H new ATOM 0 HE ARG A 40 -9.486 1.103 3.744 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -12.325 1.468 1.664 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -13.466 1.164 2.979 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -10.963 0.718 5.419 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -12.699 0.742 5.091 1.00 0.00 H new ATOM 185 N HIS A 41 -8.789 0.228 -1.577 1.00 0.00 N ATOM 186 CA HIS A 41 -9.180 -1.173 -1.637 1.00 0.00 C ATOM 187 C HIS A 41 -8.223 -1.961 -2.527 1.00 0.00 C ATOM 188 O HIS A 41 -7.903 -3.115 -2.244 1.00 0.00 O ATOM 189 CB HIS A 41 -10.609 -1.301 -2.169 1.00 0.00 C ATOM 190 CG HIS A 41 -11.656 -1.235 -1.101 1.00 0.00 C ATOM 191 ND1 HIS A 41 -12.267 -2.354 -0.576 1.00 0.00 N ATOM 192 CD2 HIS A 41 -12.205 -0.174 -0.460 1.00 0.00 C ATOM 193 CE1 HIS A 41 -13.145 -1.986 0.340 1.00 0.00 C ATOM 194 NE2 HIS A 41 -13.126 -0.670 0.429 1.00 0.00 N ATOM 0 H HIS A 41 -9.306 0.837 -2.210 1.00 0.00 H new ATOM 0 HA HIS A 41 -9.137 -1.584 -0.628 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -10.790 -0.507 -2.893 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -10.706 -2.247 -2.702 1.00 0.00 H new ATOM 0 HD1 HIS A 41 -12.072 -3.316 -0.852 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -11.963 0.866 -0.619 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -13.772 -2.650 0.918 1.00 0.00 H new ATOM 203 N GLN A 42 -7.772 -1.327 -3.607 1.00 0.00 N ATOM 204 CA GLN A 42 -6.855 -1.966 -4.544 1.00 0.00 C ATOM 205 C GLN A 42 -5.418 -1.924 -4.028 1.00 0.00 C ATOM 206 O GLN A 42 -4.648 -2.863 -4.229 1.00 0.00 O ATOM 207 CB GLN A 42 -6.947 -1.292 -5.921 1.00 0.00 C ATOM 208 CG GLN A 42 -6.068 -0.057 -6.072 1.00 0.00 C ATOM 209 CD GLN A 42 -4.662 -0.395 -6.529 1.00 0.00 C ATOM 210 OE1 GLN A 42 -4.470 -1.189 -7.450 1.00 0.00 O ATOM 211 NE2 GLN A 42 -3.669 0.206 -5.884 1.00 0.00 N ATOM 0 H GLN A 42 -8.028 -0.371 -3.854 1.00 0.00 H new ATOM 0 HA GLN A 42 -7.147 -3.012 -4.641 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -6.671 -2.017 -6.687 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -7.984 -1.011 -6.107 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -6.525 0.625 -6.789 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -6.020 0.469 -5.119 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -3.873 0.857 -5.126 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -2.702 0.016 -6.146 1.00 0.00 H new ATOM 220 N LEU A 43 -5.063 -0.826 -3.369 1.00 0.00 N ATOM 221 CA LEU A 43 -3.717 -0.661 -2.831 1.00 0.00 C ATOM 222 C LEU A 43 -3.514 -1.532 -1.595 1.00 0.00 C ATOM 223 O LEU A 43 -2.684 -2.441 -1.594 1.00 0.00 O ATOM 224 CB LEU A 43 -3.461 0.814 -2.489 1.00 0.00 C ATOM 225 CG LEU A 43 -2.005 1.307 -2.604 1.00 0.00 C ATOM 226 CD1 LEU A 43 -1.475 1.740 -1.245 1.00 0.00 C ATOM 227 CD2 LEU A 43 -1.096 0.245 -3.210 1.00 0.00 C ATOM 0 H LEU A 43 -5.687 -0.038 -3.195 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.004 -0.978 -3.592 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.081 1.428 -3.143 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.801 0.991 -1.469 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.005 2.167 -3.274 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.446 2.084 -1.349 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.091 2.550 -0.855 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.507 0.896 -0.556 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.079 0.631 -3.274 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.108 -0.645 -2.581 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.451 -0.011 -4.208 1.00 0.00 H new ATOM 239 N ALA A 44 -4.278 -1.248 -0.542 1.00 0.00 N ATOM 240 CA ALA A 44 -4.184 -2.005 0.703 1.00 0.00 C ATOM 241 C ALA A 44 -4.192 -3.511 0.446 1.00 0.00 C ATOM 242 O ALA A 44 -3.393 -4.251 1.019 1.00 0.00 O ATOM 243 CB ALA A 44 -5.324 -1.625 1.636 1.00 0.00 C ATOM 0 H ALA A 44 -4.969 -0.498 -0.527 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.235 -1.753 1.176 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -5.243 -2.196 2.561 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.270 -0.560 1.861 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.277 -1.846 1.155 1.00 0.00 H new ATOM 249 N GLU A 45 -5.098 -3.957 -0.419 1.00 0.00 N ATOM 250 CA GLU A 45 -5.206 -5.375 -0.749 1.00 0.00 C ATOM 251 C GLU A 45 -3.883 -5.911 -1.287 1.00 0.00 C ATOM 252 O GLU A 45 -3.361 -6.913 -0.797 1.00 0.00 O ATOM 253 CB GLU A 45 -6.314 -5.600 -1.779 1.00 0.00 C ATOM 254 CG GLU A 45 -7.677 -5.864 -1.160 1.00 0.00 C ATOM 255 CD GLU A 45 -8.584 -6.669 -2.070 1.00 0.00 C ATOM 256 OE1 GLU A 45 -8.081 -7.591 -2.746 1.00 0.00 O ATOM 257 OE2 GLU A 45 -9.798 -6.377 -2.107 1.00 0.00 O ATOM 0 H GLU A 45 -5.767 -3.359 -0.903 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.454 -5.915 0.165 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.381 -4.725 -2.425 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.043 -6.444 -2.413 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.547 -6.397 -0.218 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.155 -4.913 -0.925 1.00 0.00 H new ATOM 264 N SER A 46 -3.346 -5.237 -2.298 1.00 0.00 N ATOM 265 CA SER A 46 -2.084 -5.643 -2.904 1.00 0.00 C ATOM 266 C SER A 46 -0.933 -5.503 -1.912 1.00 0.00 C ATOM 267 O SER A 46 0.032 -6.266 -1.954 1.00 0.00 O ATOM 268 CB SER A 46 -1.802 -4.804 -4.151 1.00 0.00 C ATOM 269 OG SER A 46 -2.686 -5.143 -5.205 1.00 0.00 O ATOM 0 H SER A 46 -3.766 -4.406 -2.715 1.00 0.00 H new ATOM 0 HA SER A 46 -2.167 -6.692 -3.190 1.00 0.00 H new ATOM 0 HB2 SER A 46 -1.905 -3.746 -3.912 1.00 0.00 H new ATOM 0 HB3 SER A 46 -0.772 -4.959 -4.472 1.00 0.00 H new ATOM 0 HG SER A 46 -3.480 -4.570 -5.163 1.00 0.00 H new ATOM 275 N ALA A 47 -1.044 -4.525 -1.019 1.00 0.00 N ATOM 276 CA ALA A 47 -0.015 -4.285 -0.017 1.00 0.00 C ATOM 277 C ALA A 47 -0.011 -5.390 1.036 1.00 0.00 C ATOM 278 O ALA A 47 -0.605 -6.448 0.836 1.00 0.00 O ATOM 279 CB ALA A 47 -0.224 -2.924 0.636 1.00 0.00 C ATOM 0 H ALA A 47 -1.837 -3.886 -0.970 1.00 0.00 H new ATOM 0 HA ALA A 47 0.955 -4.290 -0.513 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.552 -2.756 1.383 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.171 -2.144 -0.124 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.202 -2.897 1.116 1.00 0.00 H new ATOM 285 N GLY A 48 0.663 -5.124 2.155 1.00 0.00 N ATOM 286 CA GLY A 48 0.755 -6.085 3.252 1.00 0.00 C ATOM 287 C GLY A 48 0.796 -7.536 2.801 1.00 0.00 C ATOM 288 O GLY A 48 -0.236 -8.127 2.481 1.00 0.00 O ATOM 0 H GLY A 48 1.155 -4.247 2.325 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.651 -5.871 3.835 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.098 -5.946 3.916 1.00 0.00 H new ATOM 292 N LEU A 49 1.996 -8.112 2.787 1.00 0.00 N ATOM 293 CA LEU A 49 2.182 -9.503 2.380 1.00 0.00 C ATOM 294 C LEU A 49 1.191 -10.423 3.094 1.00 0.00 C ATOM 295 O LEU A 49 0.729 -10.118 4.193 1.00 0.00 O ATOM 296 CB LEU A 49 3.613 -9.958 2.678 1.00 0.00 C ATOM 297 CG LEU A 49 4.716 -9.071 2.095 1.00 0.00 C ATOM 298 CD1 LEU A 49 6.068 -9.452 2.674 1.00 0.00 C ATOM 299 CD2 LEU A 49 4.736 -9.174 0.577 1.00 0.00 C ATOM 0 H LEU A 49 2.857 -7.635 3.054 1.00 0.00 H new ATOM 0 HA LEU A 49 2.000 -9.564 1.307 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.743 -10.008 3.759 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.742 -10.970 2.294 1.00 0.00 H new ATOM 0 HG LEU A 49 4.506 -8.037 2.367 1.00 0.00 H new ATOM 0 HD11 LEU A 49 6.840 -8.811 2.248 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.049 -9.326 3.757 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.287 -10.492 2.433 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.526 -8.537 0.179 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.922 -10.208 0.285 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.774 -8.851 0.178 1.00 0.00 H new ATOM 311 N PRO A 50 0.852 -11.567 2.474 1.00 0.00 N ATOM 312 CA PRO A 50 -0.089 -12.531 3.056 1.00 0.00 C ATOM 313 C PRO A 50 0.411 -13.106 4.381 1.00 0.00 C ATOM 314 O PRO A 50 -0.001 -12.660 5.452 1.00 0.00 O ATOM 315 CB PRO A 50 -0.198 -13.629 1.990 1.00 0.00 C ATOM 316 CG PRO A 50 1.015 -13.471 1.138 1.00 0.00 C ATOM 317 CD PRO A 50 1.354 -12.008 1.162 1.00 0.00 C ATOM 0 HA PRO A 50 -1.046 -12.067 3.295 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -0.232 -14.618 2.446 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -1.109 -13.518 1.402 1.00 0.00 H new ATOM 0 HG2 PRO A 50 1.842 -14.069 1.522 1.00 0.00 H new ATOM 0 HG3 PRO A 50 0.823 -13.810 0.120 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.427 -11.842 1.065 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.873 -11.470 0.345 1.00 0.00 H new ATOM 325 N ARG A 51 1.299 -14.096 4.307 1.00 0.00 N ATOM 326 CA ARG A 51 1.844 -14.720 5.508 1.00 0.00 C ATOM 327 C ARG A 51 3.277 -15.192 5.282 1.00 0.00 C ATOM 328 O ARG A 51 4.220 -14.640 5.848 1.00 0.00 O ATOM 329 CB ARG A 51 0.969 -15.900 5.935 1.00 0.00 C ATOM 330 CG ARG A 51 1.409 -16.540 7.242 1.00 0.00 C ATOM 331 CD ARG A 51 0.966 -17.992 7.331 1.00 0.00 C ATOM 332 NE ARG A 51 2.092 -18.896 7.558 1.00 0.00 N ATOM 333 CZ ARG A 51 2.664 -19.084 8.745 1.00 0.00 C ATOM 334 NH1 ARG A 51 2.221 -18.434 9.814 1.00 0.00 N ATOM 335 NH2 ARG A 51 3.683 -19.925 8.863 1.00 0.00 N ATOM 0 H ARG A 51 1.654 -14.481 3.432 1.00 0.00 H new ATOM 0 HA ARG A 51 1.851 -13.972 6.301 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -0.062 -15.560 6.035 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.981 -16.654 5.148 1.00 0.00 H new ATOM 0 HG2 ARG A 51 2.494 -16.484 7.328 1.00 0.00 H new ATOM 0 HG3 ARG A 51 0.994 -15.980 8.080 1.00 0.00 H new ATOM 0 HD2 ARG A 51 0.244 -18.102 8.140 1.00 0.00 H new ATOM 0 HD3 ARG A 51 0.456 -18.272 6.409 1.00 0.00 H new ATOM 0 HE ARG A 51 2.461 -19.413 6.760 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.438 -17.786 9.729 1.00 0.00 H new ATOM 0 HH12 ARG A 51 2.664 -18.582 10.721 1.00 0.00 H new ATOM 0 HH21 ARG A 51 4.027 -20.427 8.045 1.00 0.00 H new ATOM 0 HH22 ARG A 51 4.122 -20.070 9.772 1.00 0.00 H new ATOM 349 N ASP A 52 3.432 -16.221 4.453 1.00 0.00 N ATOM 350 CA ASP A 52 4.749 -16.775 4.154 1.00 0.00 C ATOM 351 C ASP A 52 5.693 -15.699 3.625 1.00 0.00 C ATOM 352 O ASP A 52 6.877 -15.680 3.960 1.00 0.00 O ATOM 353 CB ASP A 52 4.628 -17.908 3.134 1.00 0.00 C ATOM 354 CG ASP A 52 4.268 -19.231 3.779 1.00 0.00 C ATOM 355 OD1 ASP A 52 3.693 -19.215 4.888 1.00 0.00 O ATOM 356 OD2 ASP A 52 4.562 -20.285 3.176 1.00 0.00 O ATOM 0 H ASP A 52 2.661 -16.688 3.976 1.00 0.00 H new ATOM 0 HA ASP A 52 5.165 -17.169 5.081 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.869 -17.649 2.396 1.00 0.00 H new ATOM 0 HB3 ASP A 52 5.571 -18.013 2.598 1.00 0.00 H new ATOM 361 N GLN A 53 5.163 -14.808 2.794 1.00 0.00 N ATOM 362 CA GLN A 53 5.960 -13.731 2.216 1.00 0.00 C ATOM 363 C GLN A 53 6.642 -12.907 3.306 1.00 0.00 C ATOM 364 O GLN A 53 7.812 -12.546 3.182 1.00 0.00 O ATOM 365 CB GLN A 53 5.081 -12.828 1.347 1.00 0.00 C ATOM 366 CG GLN A 53 5.185 -13.128 -0.140 1.00 0.00 C ATOM 367 CD GLN A 53 3.835 -13.136 -0.829 1.00 0.00 C ATOM 368 OE1 GLN A 53 3.119 -14.248 -0.715 1.00 0.00 O flip ATOM 369 NE2 GLN A 53 3.440 -12.153 -1.457 1.00 0.00 N flip ATOM 0 H GLN A 53 4.185 -14.810 2.505 1.00 0.00 H new ATOM 0 HA GLN A 53 6.734 -14.180 1.593 1.00 0.00 H new ATOM 0 HB2 GLN A 53 4.042 -12.936 1.659 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.359 -11.788 1.520 1.00 0.00 H new ATOM 0 HG2 GLN A 53 5.826 -12.384 -0.613 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.665 -14.097 -0.279 1.00 0.00 H new ATOM 0 HE21 GLN A 53 4.024 -11.319 -1.519 1.00 0.00 H new ATOM 0 HE22 GLN A 53 2.529 -12.173 -1.916 1.00 0.00 H new ATOM 378 N HIS A 54 5.904 -12.614 4.372 1.00 0.00 N ATOM 379 CA HIS A 54 6.440 -11.832 5.481 1.00 0.00 C ATOM 380 C HIS A 54 7.515 -12.614 6.231 1.00 0.00 C ATOM 381 O HIS A 54 8.541 -12.058 6.623 1.00 0.00 O ATOM 382 CB HIS A 54 5.319 -11.433 6.444 1.00 0.00 C ATOM 383 CG HIS A 54 5.797 -10.631 7.616 1.00 0.00 C ATOM 384 ND1 HIS A 54 6.662 -11.130 8.567 1.00 0.00 N ATOM 385 CD2 HIS A 54 5.531 -9.355 7.985 1.00 0.00 C ATOM 386 CE1 HIS A 54 6.908 -10.198 9.469 1.00 0.00 C ATOM 387 NE2 HIS A 54 6.235 -9.111 9.138 1.00 0.00 N ATOM 0 H HIS A 54 4.934 -12.906 4.492 1.00 0.00 H new ATOM 0 HA HIS A 54 6.893 -10.930 5.068 1.00 0.00 H new ATOM 0 HB2 HIS A 54 4.571 -10.856 5.900 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.825 -12.334 6.807 1.00 0.00 H new ATOM 0 HD2 HIS A 54 4.886 -8.660 7.469 1.00 0.00 H new ATOM 0 HE1 HIS A 54 7.550 -10.306 10.331 1.00 0.00 H new ATOM 0 HE2 HIS A 54 6.238 -8.232 9.656 1.00 0.00 H new ATOM 396 N GLU A 55 7.269 -13.904 6.432 1.00 0.00 N ATOM 397 CA GLU A 55 8.212 -14.764 7.142 1.00 0.00 C ATOM 398 C GLU A 55 9.588 -14.753 6.478 1.00 0.00 C ATOM 399 O GLU A 55 10.590 -15.090 7.106 1.00 0.00 O ATOM 400 CB GLU A 55 7.674 -16.196 7.204 1.00 0.00 C ATOM 401 CG GLU A 55 7.105 -16.574 8.562 1.00 0.00 C ATOM 402 CD GLU A 55 8.171 -16.659 9.637 1.00 0.00 C ATOM 403 OE1 GLU A 55 9.200 -17.327 9.402 1.00 0.00 O ATOM 404 OE2 GLU A 55 7.976 -16.057 10.714 1.00 0.00 O ATOM 0 H GLU A 55 6.424 -14.379 6.113 1.00 0.00 H new ATOM 0 HA GLU A 55 8.323 -14.374 8.154 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.898 -16.317 6.448 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.477 -16.888 6.950 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.356 -15.839 8.856 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.595 -17.534 8.484 1.00 0.00 H new ATOM 411 N PHE A 56 9.632 -14.373 5.205 1.00 0.00 N ATOM 412 CA PHE A 56 10.888 -14.331 4.466 1.00 0.00 C ATOM 413 C PHE A 56 11.488 -12.925 4.474 1.00 0.00 C ATOM 414 O PHE A 56 12.657 -12.742 4.804 1.00 0.00 O ATOM 415 CB PHE A 56 10.661 -14.811 3.025 1.00 0.00 C ATOM 416 CG PHE A 56 11.649 -14.268 2.026 1.00 0.00 C ATOM 417 CD1 PHE A 56 13.002 -14.536 2.151 1.00 0.00 C ATOM 418 CD2 PHE A 56 11.219 -13.488 0.965 1.00 0.00 C ATOM 419 CE1 PHE A 56 13.909 -14.036 1.236 1.00 0.00 C ATOM 420 CE2 PHE A 56 12.121 -12.985 0.047 1.00 0.00 C ATOM 421 CZ PHE A 56 13.468 -13.259 0.183 1.00 0.00 C ATOM 0 H PHE A 56 8.814 -14.090 4.665 1.00 0.00 H new ATOM 0 HA PHE A 56 11.598 -14.997 4.957 1.00 0.00 H new ATOM 0 HB2 PHE A 56 10.705 -15.900 3.006 1.00 0.00 H new ATOM 0 HB3 PHE A 56 9.655 -14.527 2.714 1.00 0.00 H new ATOM 0 HD1 PHE A 56 13.352 -15.143 2.973 1.00 0.00 H new ATOM 0 HD2 PHE A 56 10.167 -13.271 0.854 1.00 0.00 H new ATOM 0 HE1 PHE A 56 14.961 -14.253 1.344 1.00 0.00 H new ATOM 0 HE2 PHE A 56 11.773 -12.378 -0.776 1.00 0.00 H new ATOM 0 HZ PHE A 56 14.175 -12.866 -0.533 1.00 0.00 H new ATOM 431 N VAL A 57 10.684 -11.940 4.092 1.00 0.00 N ATOM 432 CA VAL A 57 11.139 -10.554 4.035 1.00 0.00 C ATOM 433 C VAL A 57 11.437 -9.974 5.419 1.00 0.00 C ATOM 434 O VAL A 57 11.983 -8.876 5.526 1.00 0.00 O ATOM 435 CB VAL A 57 10.098 -9.660 3.330 1.00 0.00 C ATOM 436 CG1 VAL A 57 8.784 -9.661 4.095 1.00 0.00 C ATOM 437 CG2 VAL A 57 10.626 -8.242 3.162 1.00 0.00 C ATOM 0 H VAL A 57 9.711 -12.075 3.816 1.00 0.00 H new ATOM 0 HA VAL A 57 12.068 -10.565 3.464 1.00 0.00 H new ATOM 0 HB VAL A 57 9.914 -10.070 2.337 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.063 -9.025 3.581 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.396 -10.678 4.150 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.950 -9.281 5.103 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.874 -7.631 2.663 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.847 -7.818 4.141 1.00 0.00 H new ATOM 0 HG23 VAL A 57 11.536 -8.261 2.562 1.00 0.00 H new ATOM 447 N SER A 58 11.068 -10.691 6.477 1.00 0.00 N ATOM 448 CA SER A 58 11.299 -10.198 7.834 1.00 0.00 C ATOM 449 C SER A 58 12.108 -11.180 8.682 1.00 0.00 C ATOM 450 O SER A 58 12.844 -10.769 9.578 1.00 0.00 O ATOM 451 CB SER A 58 9.964 -9.906 8.520 1.00 0.00 C ATOM 452 OG SER A 58 10.047 -8.739 9.321 1.00 0.00 O ATOM 0 H SER A 58 10.614 -11.603 6.425 1.00 0.00 H new ATOM 0 HA SER A 58 11.882 -9.281 7.747 1.00 0.00 H new ATOM 0 HB2 SER A 58 9.185 -9.780 7.768 1.00 0.00 H new ATOM 0 HB3 SER A 58 9.676 -10.756 9.139 1.00 0.00 H new ATOM 0 HG SER A 58 9.149 -8.482 9.618 1.00 0.00 H new ATOM 458 N SER A 59 11.955 -12.473 8.419 1.00 0.00 N ATOM 459 CA SER A 59 12.664 -13.491 9.191 1.00 0.00 C ATOM 460 C SER A 59 13.894 -14.031 8.462 1.00 0.00 C ATOM 461 O SER A 59 14.687 -14.768 9.048 1.00 0.00 O ATOM 462 CB SER A 59 11.719 -14.644 9.534 1.00 0.00 C ATOM 463 OG SER A 59 11.891 -15.063 10.877 1.00 0.00 O ATOM 0 H SER A 59 11.352 -12.841 7.683 1.00 0.00 H new ATOM 0 HA SER A 59 13.013 -13.011 10.105 1.00 0.00 H new ATOM 0 HB2 SER A 59 10.687 -14.331 9.377 1.00 0.00 H new ATOM 0 HB3 SER A 59 11.904 -15.482 8.862 1.00 0.00 H new ATOM 0 HG SER A 59 11.275 -15.800 11.071 1.00 0.00 H new ATOM 469 N GLN A 60 14.054 -13.684 7.187 1.00 0.00 N ATOM 470 CA GLN A 60 15.196 -14.170 6.416 1.00 0.00 C ATOM 471 C GLN A 60 15.897 -13.043 5.661 1.00 0.00 C ATOM 472 O GLN A 60 17.073 -12.766 5.897 1.00 0.00 O ATOM 473 CB GLN A 60 14.741 -15.247 5.430 1.00 0.00 C ATOM 474 CG GLN A 60 14.011 -16.406 6.088 1.00 0.00 C ATOM 475 CD GLN A 60 14.854 -17.665 6.154 1.00 0.00 C ATOM 476 OE1 GLN A 60 14.975 -18.396 5.171 1.00 0.00 O ATOM 477 NE2 GLN A 60 15.441 -17.925 7.317 1.00 0.00 N ATOM 0 H GLN A 60 13.417 -13.077 6.671 1.00 0.00 H new ATOM 0 HA GLN A 60 15.911 -14.593 7.121 1.00 0.00 H new ATOM 0 HB2 GLN A 60 14.087 -14.793 4.685 1.00 0.00 H new ATOM 0 HB3 GLN A 60 15.611 -15.632 4.898 1.00 0.00 H new ATOM 0 HG2 GLN A 60 13.715 -16.118 7.097 1.00 0.00 H new ATOM 0 HG3 GLN A 60 13.095 -16.615 5.535 1.00 0.00 H new ATOM 0 HE21 GLN A 60 15.313 -17.291 8.106 1.00 0.00 H new ATOM 0 HE22 GLN A 60 16.020 -18.759 7.421 1.00 0.00 H new ATOM 486 N ALA A 61 15.170 -12.410 4.743 1.00 0.00 N ATOM 487 CA ALA A 61 15.709 -11.319 3.929 1.00 0.00 C ATOM 488 C ALA A 61 16.659 -10.420 4.722 1.00 0.00 C ATOM 489 O ALA A 61 16.534 -10.287 5.939 1.00 0.00 O ATOM 490 CB ALA A 61 14.572 -10.499 3.340 1.00 0.00 C ATOM 0 H ALA A 61 14.196 -12.636 4.542 1.00 0.00 H new ATOM 0 HA ALA A 61 16.290 -11.767 3.123 1.00 0.00 H new ATOM 0 HB1 ALA A 61 14.982 -9.690 2.736 1.00 0.00 H new ATOM 0 HB2 ALA A 61 13.948 -11.138 2.715 1.00 0.00 H new ATOM 0 HB3 ALA A 61 13.969 -10.081 4.146 1.00 0.00 H new ATOM 496 N PRO A 62 17.629 -9.792 4.032 1.00 0.00 N ATOM 497 CA PRO A 62 18.612 -8.904 4.665 1.00 0.00 C ATOM 498 C PRO A 62 17.985 -7.617 5.191 1.00 0.00 C ATOM 499 O PRO A 62 16.894 -7.229 4.774 1.00 0.00 O ATOM 500 CB PRO A 62 19.597 -8.595 3.535 1.00 0.00 C ATOM 501 CG PRO A 62 18.814 -8.793 2.285 1.00 0.00 C ATOM 502 CD PRO A 62 17.846 -9.904 2.577 1.00 0.00 C ATOM 0 HA PRO A 62 19.074 -9.370 5.536 1.00 0.00 H new ATOM 0 HB2 PRO A 62 19.975 -7.575 3.608 1.00 0.00 H new ATOM 0 HB3 PRO A 62 20.461 -9.259 3.570 1.00 0.00 H new ATOM 0 HG2 PRO A 62 18.288 -7.880 2.005 1.00 0.00 H new ATOM 0 HG3 PRO A 62 19.467 -9.053 1.452 1.00 0.00 H new ATOM 0 HD2 PRO A 62 16.916 -9.784 2.021 1.00 0.00 H new ATOM 0 HD3 PRO A 62 18.256 -10.877 2.305 1.00 0.00 H new ATOM 510 N GLN A 63 18.686 -6.960 6.113 1.00 0.00 N ATOM 511 CA GLN A 63 18.208 -5.712 6.705 1.00 0.00 C ATOM 512 C GLN A 63 17.711 -4.744 5.635 1.00 0.00 C ATOM 513 O GLN A 63 16.638 -4.155 5.769 1.00 0.00 O ATOM 514 CB GLN A 63 19.323 -5.056 7.523 1.00 0.00 C ATOM 515 CG GLN A 63 18.824 -3.990 8.485 1.00 0.00 C ATOM 516 CD GLN A 63 18.829 -4.459 9.928 1.00 0.00 C ATOM 517 OE1 GLN A 63 17.834 -4.324 10.640 1.00 0.00 O ATOM 518 NE2 GLN A 63 19.954 -5.012 10.366 1.00 0.00 N ATOM 0 H GLN A 63 19.590 -7.272 6.467 1.00 0.00 H new ATOM 0 HA GLN A 63 17.371 -5.952 7.361 1.00 0.00 H new ATOM 0 HB2 GLN A 63 19.849 -5.826 8.088 1.00 0.00 H new ATOM 0 HB3 GLN A 63 20.047 -4.609 6.842 1.00 0.00 H new ATOM 0 HG2 GLN A 63 19.449 -3.102 8.393 1.00 0.00 H new ATOM 0 HG3 GLN A 63 17.812 -3.698 8.205 1.00 0.00 H new ATOM 0 HE21 GLN A 63 20.754 -5.104 9.740 1.00 0.00 H new ATOM 0 HE22 GLN A 63 20.018 -5.345 11.328 1.00 0.00 H new ATOM 527 N SER A 64 18.494 -4.585 4.572 1.00 0.00 N ATOM 528 CA SER A 64 18.130 -3.689 3.479 1.00 0.00 C ATOM 529 C SER A 64 16.752 -4.040 2.927 1.00 0.00 C ATOM 530 O SER A 64 16.011 -3.168 2.472 1.00 0.00 O ATOM 531 CB SER A 64 19.175 -3.759 2.364 1.00 0.00 C ATOM 532 OG SER A 64 20.471 -3.979 2.892 1.00 0.00 O ATOM 0 H SER A 64 19.385 -5.065 4.444 1.00 0.00 H new ATOM 0 HA SER A 64 18.097 -2.672 3.870 1.00 0.00 H new ATOM 0 HB2 SER A 64 18.920 -4.562 1.672 1.00 0.00 H new ATOM 0 HB3 SER A 64 19.165 -2.831 1.793 1.00 0.00 H new ATOM 0 HG SER A 64 21.120 -4.021 2.159 1.00 0.00 H new ATOM 538 N LEU A 65 16.415 -5.324 2.976 1.00 0.00 N ATOM 539 CA LEU A 65 15.126 -5.796 2.487 1.00 0.00 C ATOM 540 C LEU A 65 14.047 -5.619 3.551 1.00 0.00 C ATOM 541 O LEU A 65 12.878 -5.394 3.235 1.00 0.00 O ATOM 542 CB LEU A 65 15.226 -7.269 2.080 1.00 0.00 C ATOM 543 CG LEU A 65 14.501 -7.638 0.785 1.00 0.00 C ATOM 544 CD1 LEU A 65 13.001 -7.445 0.939 1.00 0.00 C ATOM 545 CD2 LEU A 65 15.032 -6.812 -0.377 1.00 0.00 C ATOM 0 H LEU A 65 17.018 -6.057 3.350 1.00 0.00 H new ATOM 0 HA LEU A 65 14.850 -5.203 1.615 1.00 0.00 H new ATOM 0 HB2 LEU A 65 16.279 -7.529 1.975 1.00 0.00 H new ATOM 0 HB3 LEU A 65 14.826 -7.881 2.889 1.00 0.00 H new ATOM 0 HG LEU A 65 14.690 -8.690 0.572 1.00 0.00 H new ATOM 0 HD11 LEU A 65 12.502 -7.713 0.007 1.00 0.00 H new ATOM 0 HD12 LEU A 65 12.633 -8.082 1.744 1.00 0.00 H new ATOM 0 HD13 LEU A 65 12.791 -6.402 1.177 1.00 0.00 H new ATOM 0 HD21 LEU A 65 14.505 -7.088 -1.290 1.00 0.00 H new ATOM 0 HD22 LEU A 65 14.874 -5.753 -0.173 1.00 0.00 H new ATOM 0 HD23 LEU A 65 16.098 -7.003 -0.502 1.00 0.00 H new ATOM 557 N ARG A 66 14.448 -5.727 4.813 1.00 0.00 N ATOM 558 CA ARG A 66 13.519 -5.584 5.928 1.00 0.00 C ATOM 559 C ARG A 66 13.181 -4.118 6.187 1.00 0.00 C ATOM 560 O ARG A 66 12.009 -3.745 6.248 1.00 0.00 O ATOM 561 CB ARG A 66 14.110 -6.211 7.192 1.00 0.00 C ATOM 562 CG ARG A 66 14.515 -7.665 7.016 1.00 0.00 C ATOM 563 CD ARG A 66 15.682 -8.032 7.919 1.00 0.00 C ATOM 564 NE ARG A 66 15.268 -8.888 9.028 1.00 0.00 N ATOM 565 CZ ARG A 66 14.710 -8.433 10.148 1.00 0.00 C ATOM 566 NH1 ARG A 66 14.494 -7.133 10.311 1.00 0.00 N ATOM 567 NH2 ARG A 66 14.364 -9.280 11.107 1.00 0.00 N ATOM 0 H ARG A 66 15.412 -5.913 5.090 1.00 0.00 H new ATOM 0 HA ARG A 66 12.598 -6.103 5.662 1.00 0.00 H new ATOM 0 HB2 ARG A 66 14.982 -5.634 7.500 1.00 0.00 H new ATOM 0 HB3 ARG A 66 13.380 -6.141 7.998 1.00 0.00 H new ATOM 0 HG2 ARG A 66 13.665 -8.310 7.238 1.00 0.00 H new ATOM 0 HG3 ARG A 66 14.788 -7.844 5.976 1.00 0.00 H new ATOM 0 HD2 ARG A 66 16.447 -8.542 7.333 1.00 0.00 H new ATOM 0 HD3 ARG A 66 16.136 -7.122 8.313 1.00 0.00 H new ATOM 0 HE ARG A 66 15.415 -9.893 8.939 1.00 0.00 H new ATOM 0 HH11 ARG A 66 14.756 -6.476 9.576 1.00 0.00 H new ATOM 0 HH12 ARG A 66 14.066 -6.791 11.171 1.00 0.00 H new ATOM 0 HH21 ARG A 66 14.525 -10.280 10.987 1.00 0.00 H new ATOM 0 HH22 ARG A 66 13.937 -8.932 11.965 1.00 0.00 H new ATOM 581 N ASN A 67 14.210 -3.291 6.349 1.00 0.00 N ATOM 582 CA ASN A 67 14.009 -1.870 6.613 1.00 0.00 C ATOM 583 C ASN A 67 13.194 -1.210 5.504 1.00 0.00 C ATOM 584 O ASN A 67 12.333 -0.374 5.774 1.00 0.00 O ATOM 585 CB ASN A 67 15.352 -1.154 6.780 1.00 0.00 C ATOM 586 CG ASN A 67 16.314 -1.437 5.643 1.00 0.00 C ATOM 587 OD1 ASN A 67 15.950 -2.057 4.646 1.00 0.00 O ATOM 588 ND2 ASN A 67 17.553 -0.981 5.791 1.00 0.00 N ATOM 0 H ASN A 67 15.187 -3.579 6.302 1.00 0.00 H new ATOM 0 HA ASN A 67 13.448 -1.784 7.544 1.00 0.00 H new ATOM 0 HB2 ASN A 67 15.180 -0.080 6.845 1.00 0.00 H new ATOM 0 HB3 ASN A 67 15.808 -1.462 7.721 1.00 0.00 H new ATOM 0 HD21 ASN A 67 18.246 -1.141 5.060 1.00 0.00 H new ATOM 0 HD22 ASN A 67 17.811 -0.471 6.636 1.00 0.00 H new ATOM 595 N ARG A 68 13.464 -1.589 4.258 1.00 0.00 N ATOM 596 CA ARG A 68 12.742 -1.023 3.123 1.00 0.00 C ATOM 597 C ARG A 68 11.294 -1.504 3.107 1.00 0.00 C ATOM 598 O ARG A 68 10.401 -0.803 2.632 1.00 0.00 O ATOM 599 CB ARG A 68 13.439 -1.387 1.807 1.00 0.00 C ATOM 600 CG ARG A 68 13.243 -2.834 1.377 1.00 0.00 C ATOM 601 CD ARG A 68 13.620 -3.034 -0.082 1.00 0.00 C ATOM 602 NE ARG A 68 13.008 -4.235 -0.647 1.00 0.00 N ATOM 603 CZ ARG A 68 12.819 -4.429 -1.951 1.00 0.00 C ATOM 604 NH1 ARG A 68 13.191 -3.506 -2.829 1.00 0.00 N ATOM 605 NH2 ARG A 68 12.256 -5.551 -2.378 1.00 0.00 N ATOM 0 H ARG A 68 14.172 -2.280 4.010 1.00 0.00 H new ATOM 0 HA ARG A 68 12.742 0.062 3.228 1.00 0.00 H new ATOM 0 HB2 ARG A 68 13.068 -0.732 1.019 1.00 0.00 H new ATOM 0 HB3 ARG A 68 14.506 -1.191 1.908 1.00 0.00 H new ATOM 0 HG2 ARG A 68 13.850 -3.487 2.004 1.00 0.00 H new ATOM 0 HG3 ARG A 68 12.203 -3.123 1.529 1.00 0.00 H new ATOM 0 HD2 ARG A 68 13.309 -2.163 -0.659 1.00 0.00 H new ATOM 0 HD3 ARG A 68 14.704 -3.104 -0.170 1.00 0.00 H new ATOM 0 HE ARG A 68 12.708 -4.968 -0.004 1.00 0.00 H new ATOM 0 HH11 ARG A 68 13.625 -2.641 -2.507 1.00 0.00 H new ATOM 0 HH12 ARG A 68 13.043 -3.662 -3.826 1.00 0.00 H new ATOM 0 HH21 ARG A 68 11.968 -6.264 -1.708 1.00 0.00 H new ATOM 0 HH22 ARG A 68 12.111 -5.701 -3.376 1.00 0.00 H new ATOM 619 N TYR A 69 11.071 -2.707 3.628 1.00 0.00 N ATOM 620 CA TYR A 69 9.735 -3.290 3.675 1.00 0.00 C ATOM 621 C TYR A 69 8.771 -2.391 4.444 1.00 0.00 C ATOM 622 O TYR A 69 7.854 -1.808 3.866 1.00 0.00 O ATOM 623 CB TYR A 69 9.785 -4.673 4.325 1.00 0.00 C ATOM 624 CG TYR A 69 8.443 -5.366 4.380 1.00 0.00 C ATOM 625 CD1 TYR A 69 7.882 -5.925 3.239 1.00 0.00 C ATOM 626 CD2 TYR A 69 7.737 -5.462 5.572 1.00 0.00 C ATOM 627 CE1 TYR A 69 6.656 -6.559 3.284 1.00 0.00 C ATOM 628 CE2 TYR A 69 6.510 -6.095 5.626 1.00 0.00 C ATOM 629 CZ TYR A 69 5.974 -6.641 4.479 1.00 0.00 C ATOM 630 OH TYR A 69 4.752 -7.273 4.528 1.00 0.00 O ATOM 0 H TYR A 69 11.801 -3.298 4.025 1.00 0.00 H new ATOM 0 HA TYR A 69 9.373 -3.386 2.651 1.00 0.00 H new ATOM 0 HB2 TYR A 69 10.485 -5.299 3.773 1.00 0.00 H new ATOM 0 HB3 TYR A 69 10.175 -4.575 5.338 1.00 0.00 H new ATOM 0 HD1 TYR A 69 8.413 -5.863 2.301 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.154 -5.035 6.472 1.00 0.00 H new ATOM 0 HE1 TYR A 69 6.234 -6.988 2.387 1.00 0.00 H new ATOM 0 HE2 TYR A 69 5.974 -6.162 6.561 1.00 0.00 H new ATOM 0 HH TYR A 69 4.405 -7.244 5.444 1.00 0.00 H new ATOM 640 N ASN A 70 8.983 -2.288 5.752 1.00 0.00 N ATOM 641 CA ASN A 70 8.131 -1.464 6.603 1.00 0.00 C ATOM 642 C ASN A 70 8.100 -0.017 6.118 1.00 0.00 C ATOM 643 O ASN A 70 7.144 0.713 6.380 1.00 0.00 O ATOM 644 CB ASN A 70 8.622 -1.517 8.051 1.00 0.00 C ATOM 645 CG ASN A 70 7.565 -1.061 9.037 1.00 0.00 C ATOM 646 OD1 ASN A 70 7.236 0.123 9.109 1.00 0.00 O ATOM 647 ND2 ASN A 70 7.027 -2.002 9.805 1.00 0.00 N ATOM 0 H ASN A 70 9.737 -2.765 6.246 1.00 0.00 H new ATOM 0 HA ASN A 70 7.118 -1.863 6.551 1.00 0.00 H new ATOM 0 HB2 ASN A 70 8.924 -2.536 8.292 1.00 0.00 H new ATOM 0 HB3 ASN A 70 9.507 -0.889 8.155 1.00 0.00 H new ATOM 0 HD21 ASN A 70 6.311 -1.755 10.488 1.00 0.00 H new ATOM 0 HD22 ASN A 70 7.330 -2.971 9.711 1.00 0.00 H new ATOM 654 N ASN A 71 9.151 0.394 5.415 1.00 0.00 N ATOM 655 CA ASN A 71 9.240 1.756 4.901 1.00 0.00 C ATOM 656 C ASN A 71 8.182 2.014 3.831 1.00 0.00 C ATOM 657 O ASN A 71 7.297 2.851 4.009 1.00 0.00 O ATOM 658 CB ASN A 71 10.635 2.019 4.329 1.00 0.00 C ATOM 659 CG ASN A 71 11.223 3.327 4.820 1.00 0.00 C ATOM 660 OD1 ASN A 71 11.407 4.268 4.047 1.00 0.00 O ATOM 661 ND2 ASN A 71 11.522 3.394 6.113 1.00 0.00 N ATOM 0 H ASN A 71 9.952 -0.196 5.189 1.00 0.00 H new ATOM 0 HA ASN A 71 9.059 2.438 5.732 1.00 0.00 H new ATOM 0 HB2 ASN A 71 11.298 1.199 4.605 1.00 0.00 H new ATOM 0 HB3 ASN A 71 10.582 2.034 3.240 1.00 0.00 H new ATOM 0 HD21 ASN A 71 11.920 4.249 6.501 1.00 0.00 H new ATOM 0 HD22 ASN A 71 11.353 2.590 6.718 1.00 0.00 H new ATOM 668 N LEU A 72 8.283 1.295 2.715 1.00 0.00 N ATOM 669 CA LEU A 72 7.336 1.456 1.616 1.00 0.00 C ATOM 670 C LEU A 72 5.897 1.274 2.092 1.00 0.00 C ATOM 671 O LEU A 72 4.970 1.849 1.522 1.00 0.00 O ATOM 672 CB LEU A 72 7.647 0.465 0.490 1.00 0.00 C ATOM 673 CG LEU A 72 7.740 -1.001 0.915 1.00 0.00 C ATOM 674 CD1 LEU A 72 6.358 -1.554 1.234 1.00 0.00 C ATOM 675 CD2 LEU A 72 8.410 -1.828 -0.175 1.00 0.00 C ATOM 0 H LEU A 72 9.009 0.598 2.549 1.00 0.00 H new ATOM 0 HA LEU A 72 7.441 2.471 1.234 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.876 0.556 -0.275 1.00 0.00 H new ATOM 0 HB3 LEU A 72 8.591 0.752 0.026 1.00 0.00 H new ATOM 0 HG LEU A 72 8.349 -1.062 1.817 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.444 -2.598 1.534 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.914 -0.978 2.046 1.00 0.00 H new ATOM 0 HD13 LEU A 72 5.724 -1.482 0.350 1.00 0.00 H new ATOM 0 HD21 LEU A 72 8.469 -2.869 0.142 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.826 -1.761 -1.093 1.00 0.00 H new ATOM 0 HD23 LEU A 72 9.415 -1.446 -0.355 1.00 0.00 H new ATOM 687 N TYR A 73 5.714 0.476 3.140 1.00 0.00 N ATOM 688 CA TYR A 73 4.383 0.233 3.682 1.00 0.00 C ATOM 689 C TYR A 73 3.971 1.349 4.634 1.00 0.00 C ATOM 690 O TYR A 73 2.798 1.716 4.702 1.00 0.00 O ATOM 691 CB TYR A 73 4.326 -1.112 4.406 1.00 0.00 C ATOM 692 CG TYR A 73 2.916 -1.593 4.669 1.00 0.00 C ATOM 693 CD1 TYR A 73 1.923 -1.450 3.707 1.00 0.00 C ATOM 694 CD2 TYR A 73 2.577 -2.192 5.876 1.00 0.00 C ATOM 695 CE1 TYR A 73 0.634 -1.887 3.940 1.00 0.00 C ATOM 696 CE2 TYR A 73 1.289 -2.633 6.117 1.00 0.00 C ATOM 697 CZ TYR A 73 0.322 -2.479 5.146 1.00 0.00 C ATOM 698 OH TYR A 73 -0.961 -2.917 5.382 1.00 0.00 O ATOM 0 H TYR A 73 6.466 -0.010 3.628 1.00 0.00 H new ATOM 0 HA TYR A 73 3.685 0.211 2.845 1.00 0.00 H new ATOM 0 HB2 TYR A 73 4.852 -1.859 3.811 1.00 0.00 H new ATOM 0 HB3 TYR A 73 4.856 -1.029 5.355 1.00 0.00 H new ATOM 0 HD1 TYR A 73 2.164 -0.989 2.761 1.00 0.00 H new ATOM 0 HD2 TYR A 73 3.332 -2.315 6.638 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -0.126 -1.766 3.182 1.00 0.00 H new ATOM 0 HE2 TYR A 73 1.041 -3.096 7.061 1.00 0.00 H new ATOM 0 HH TYR A 73 -1.013 -3.311 6.278 1.00 0.00 H new ATOM 708 N SER A 74 4.942 1.890 5.365 1.00 0.00 N ATOM 709 CA SER A 74 4.677 2.970 6.309 1.00 0.00 C ATOM 710 C SER A 74 3.829 4.057 5.656 1.00 0.00 C ATOM 711 O SER A 74 2.866 4.549 6.244 1.00 0.00 O ATOM 712 CB SER A 74 5.990 3.566 6.817 1.00 0.00 C ATOM 713 OG SER A 74 5.981 3.697 8.228 1.00 0.00 O ATOM 0 H SER A 74 5.918 1.598 5.321 1.00 0.00 H new ATOM 0 HA SER A 74 4.126 2.558 7.154 1.00 0.00 H new ATOM 0 HB2 SER A 74 6.822 2.931 6.513 1.00 0.00 H new ATOM 0 HB3 SER A 74 6.150 4.542 6.359 1.00 0.00 H new ATOM 0 HG SER A 74 6.833 4.079 8.527 1.00 0.00 H new ATOM 719 N HIS A 75 4.190 4.413 4.428 1.00 0.00 N ATOM 720 CA HIS A 75 3.459 5.427 3.684 1.00 0.00 C ATOM 721 C HIS A 75 2.147 4.853 3.162 1.00 0.00 C ATOM 722 O HIS A 75 1.118 5.525 3.166 1.00 0.00 O ATOM 723 CB HIS A 75 4.307 5.948 2.520 1.00 0.00 C ATOM 724 CG HIS A 75 4.320 7.441 2.411 1.00 0.00 C ATOM 725 ND1 HIS A 75 4.516 8.108 1.220 1.00 0.00 N ATOM 726 CD2 HIS A 75 4.159 8.400 3.354 1.00 0.00 C ATOM 727 CE1 HIS A 75 4.476 9.411 1.435 1.00 0.00 C ATOM 728 NE2 HIS A 75 4.260 9.614 2.721 1.00 0.00 N ATOM 0 H HIS A 75 4.985 4.013 3.929 1.00 0.00 H new ATOM 0 HA HIS A 75 3.238 6.258 4.354 1.00 0.00 H new ATOM 0 HB2 HIS A 75 5.330 5.592 2.638 1.00 0.00 H new ATOM 0 HB3 HIS A 75 3.929 5.527 1.588 1.00 0.00 H new ATOM 0 HD2 HIS A 75 3.984 8.239 4.408 1.00 0.00 H new ATOM 0 HE1 HIS A 75 4.599 10.179 0.686 1.00 0.00 H new ATOM 0 HE2 HIS A 75 4.181 10.526 3.172 1.00 0.00 H new ATOM 737 N THR A 76 2.194 3.600 2.718 1.00 0.00 N ATOM 738 CA THR A 76 1.010 2.927 2.197 1.00 0.00 C ATOM 739 C THR A 76 -0.088 2.860 3.253 1.00 0.00 C ATOM 740 O THR A 76 -1.237 3.215 2.993 1.00 0.00 O ATOM 741 CB THR A 76 1.365 1.515 1.727 1.00 0.00 C ATOM 742 OG1 THR A 76 2.321 1.559 0.683 1.00 0.00 O ATOM 743 CG2 THR A 76 0.171 0.731 1.224 1.00 0.00 C ATOM 0 H THR A 76 3.040 3.031 2.709 1.00 0.00 H new ATOM 0 HA THR A 76 0.640 3.504 1.349 1.00 0.00 H new ATOM 0 HB THR A 76 1.764 1.011 2.607 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.219 1.647 1.065 1.00 0.00 H new ATOM 0 HG21 THR A 76 0.494 -0.260 0.907 1.00 0.00 H new ATOM 0 HG22 THR A 76 -0.564 0.635 2.023 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.278 1.254 0.379 1.00 0.00 H new ATOM 751 N GLN A 77 0.274 2.397 4.446 1.00 0.00 N ATOM 752 CA GLN A 77 -0.683 2.277 5.540 1.00 0.00 C ATOM 753 C GLN A 77 -1.294 3.632 5.883 1.00 0.00 C ATOM 754 O GLN A 77 -2.451 3.716 6.295 1.00 0.00 O ATOM 755 CB GLN A 77 -0.003 1.688 6.778 1.00 0.00 C ATOM 756 CG GLN A 77 -0.066 0.170 6.842 1.00 0.00 C ATOM 757 CD GLN A 77 -0.522 -0.338 8.196 1.00 0.00 C ATOM 758 OE1 GLN A 77 -1.569 0.064 8.703 1.00 0.00 O ATOM 759 NE2 GLN A 77 0.266 -1.226 8.791 1.00 0.00 N ATOM 0 H GLN A 77 1.221 2.099 4.679 1.00 0.00 H new ATOM 0 HA GLN A 77 -1.481 1.609 5.216 1.00 0.00 H new ATOM 0 HB2 GLN A 77 1.041 2.001 6.793 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -0.472 2.101 7.671 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -0.747 -0.194 6.073 1.00 0.00 H new ATOM 0 HG3 GLN A 77 0.918 -0.241 6.617 1.00 0.00 H new ATOM 0 HE21 GLN A 77 1.125 -1.532 8.335 1.00 0.00 H new ATOM 0 HE22 GLN A 77 0.012 -1.602 9.704 1.00 0.00 H new ATOM 768 N ARG A 78 -0.508 4.690 5.714 1.00 0.00 N ATOM 769 CA ARG A 78 -0.966 6.040 6.008 1.00 0.00 C ATOM 770 C ARG A 78 -1.735 6.627 4.826 1.00 0.00 C ATOM 771 O ARG A 78 -2.705 7.362 5.008 1.00 0.00 O ATOM 772 CB ARG A 78 0.232 6.928 6.357 1.00 0.00 C ATOM 773 CG ARG A 78 -0.103 8.407 6.476 1.00 0.00 C ATOM 774 CD ARG A 78 0.081 8.915 7.898 1.00 0.00 C ATOM 775 NE ARG A 78 1.450 8.726 8.378 1.00 0.00 N ATOM 776 CZ ARG A 78 1.833 7.729 9.177 1.00 0.00 C ATOM 777 NH1 ARG A 78 0.960 6.815 9.585 1.00 0.00 N ATOM 778 NH2 ARG A 78 3.097 7.645 9.567 1.00 0.00 N ATOM 0 H ARG A 78 0.452 4.636 5.374 1.00 0.00 H new ATOM 0 HA ARG A 78 -1.643 5.998 6.861 1.00 0.00 H new ATOM 0 HB2 ARG A 78 0.661 6.587 7.299 1.00 0.00 H new ATOM 0 HB3 ARG A 78 0.999 6.801 5.593 1.00 0.00 H new ATOM 0 HG2 ARG A 78 0.533 8.979 5.800 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -1.133 8.573 6.161 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -0.174 9.974 7.940 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -0.610 8.394 8.561 1.00 0.00 H new ATOM 0 HE ARG A 78 2.157 9.400 8.083 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -0.014 6.871 9.287 1.00 0.00 H new ATOM 0 HH12 ARG A 78 1.264 6.057 10.196 1.00 0.00 H new ATOM 0 HH21 ARG A 78 3.774 8.342 9.256 1.00 0.00 H new ATOM 0 HH22 ARG A 78 3.393 6.884 10.178 1.00 0.00 H new ATOM 792 N THR A 79 -1.292 6.302 3.616 1.00 0.00 N ATOM 793 CA THR A 79 -1.937 6.803 2.408 1.00 0.00 C ATOM 794 C THR A 79 -3.390 6.348 2.331 1.00 0.00 C ATOM 795 O THR A 79 -4.285 7.150 2.065 1.00 0.00 O ATOM 796 CB THR A 79 -1.176 6.339 1.167 1.00 0.00 C ATOM 797 OG1 THR A 79 -1.018 4.932 1.173 1.00 0.00 O ATOM 798 CG2 THR A 79 0.198 6.958 1.047 1.00 0.00 C ATOM 0 H THR A 79 -0.490 5.695 3.446 1.00 0.00 H new ATOM 0 HA THR A 79 -1.922 7.892 2.448 1.00 0.00 H new ATOM 0 HB THR A 79 -1.778 6.662 0.318 1.00 0.00 H new ATOM 0 HG1 THR A 79 -1.245 4.581 2.059 1.00 0.00 H new ATOM 0 HG21 THR A 79 0.686 6.588 0.145 1.00 0.00 H new ATOM 0 HG22 THR A 79 0.105 8.043 0.990 1.00 0.00 H new ATOM 0 HG23 THR A 79 0.795 6.690 1.919 1.00 0.00 H new ATOM 806 N LEU A 80 -3.622 5.060 2.567 1.00 0.00 N ATOM 807 CA LEU A 80 -4.974 4.515 2.524 1.00 0.00 C ATOM 808 C LEU A 80 -5.882 5.262 3.495 1.00 0.00 C ATOM 809 O LEU A 80 -7.080 5.412 3.252 1.00 0.00 O ATOM 810 CB LEU A 80 -4.971 3.023 2.859 1.00 0.00 C ATOM 811 CG LEU A 80 -3.975 2.174 2.067 1.00 0.00 C ATOM 812 CD1 LEU A 80 -3.472 1.014 2.912 1.00 0.00 C ATOM 813 CD2 LEU A 80 -4.617 1.665 0.791 1.00 0.00 C ATOM 0 H LEU A 80 -2.896 4.378 2.789 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.356 4.643 1.511 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.757 2.907 3.921 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.973 2.628 2.691 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.122 2.798 1.801 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.765 0.421 2.332 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.977 1.401 3.803 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.314 0.388 3.208 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.897 1.062 0.237 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.486 1.056 1.039 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.930 2.511 0.179 1.00 0.00 H new ATOM 825 N ASP A 81 -5.301 5.735 4.595 1.00 0.00 N ATOM 826 CA ASP A 81 -6.056 6.475 5.598 1.00 0.00 C ATOM 827 C ASP A 81 -6.715 7.698 4.971 1.00 0.00 C ATOM 828 O ASP A 81 -7.939 7.825 4.974 1.00 0.00 O ATOM 829 CB ASP A 81 -5.141 6.899 6.751 1.00 0.00 C ATOM 830 CG ASP A 81 -5.577 6.313 8.080 1.00 0.00 C ATOM 831 OD1 ASP A 81 -6.795 6.305 8.354 1.00 0.00 O ATOM 832 OD2 ASP A 81 -4.700 5.862 8.846 1.00 0.00 O ATOM 0 H ASP A 81 -4.311 5.618 4.813 1.00 0.00 H new ATOM 0 HA ASP A 81 -6.835 5.823 5.994 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -4.120 6.584 6.536 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.131 7.987 6.822 1.00 0.00 H new ATOM 837 N MET A 82 -5.895 8.590 4.421 1.00 0.00 N ATOM 838 CA MET A 82 -6.399 9.798 3.775 1.00 0.00 C ATOM 839 C MET A 82 -7.435 9.451 2.709 1.00 0.00 C ATOM 840 O MET A 82 -8.285 10.271 2.364 1.00 0.00 O ATOM 841 CB MET A 82 -5.245 10.583 3.146 1.00 0.00 C ATOM 842 CG MET A 82 -4.329 11.239 4.166 1.00 0.00 C ATOM 843 SD MET A 82 -2.946 12.107 3.401 1.00 0.00 S ATOM 844 CE MET A 82 -2.183 10.777 2.476 1.00 0.00 C ATOM 0 H MET A 82 -4.879 8.499 4.410 1.00 0.00 H new ATOM 0 HA MET A 82 -6.878 10.416 4.535 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.657 9.911 2.521 1.00 0.00 H new ATOM 0 HB3 MET A 82 -5.654 11.351 2.490 1.00 0.00 H new ATOM 0 HG2 MET A 82 -4.906 11.942 4.768 1.00 0.00 H new ATOM 0 HG3 MET A 82 -3.944 10.478 4.845 1.00 0.00 H new ATOM 0 HE1 MET A 82 -1.168 11.062 2.198 1.00 0.00 H new ATOM 0 HE2 MET A 82 -2.151 9.878 3.091 1.00 0.00 H new ATOM 0 HE3 MET A 82 -2.764 10.580 1.575 1.00 0.00 H new ATOM 854 N ALA A 83 -7.355 8.227 2.192 1.00 0.00 N ATOM 855 CA ALA A 83 -8.282 7.766 1.168 1.00 0.00 C ATOM 856 C ALA A 83 -9.684 7.568 1.737 1.00 0.00 C ATOM 857 O ALA A 83 -10.672 7.979 1.129 1.00 0.00 O ATOM 858 CB ALA A 83 -7.776 6.470 0.550 1.00 0.00 C ATOM 0 H ALA A 83 -6.656 7.538 2.468 1.00 0.00 H new ATOM 0 HA ALA A 83 -8.340 8.532 0.395 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -8.476 6.134 -0.215 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -6.799 6.640 0.098 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -7.690 5.707 1.324 1.00 0.00 H new ATOM 864 N ASP A 84 -9.764 6.928 2.900 1.00 0.00 N ATOM 865 CA ASP A 84 -11.049 6.667 3.543 1.00 0.00 C ATOM 866 C ASP A 84 -11.397 7.749 4.564 1.00 0.00 C ATOM 867 O ASP A 84 -11.686 7.454 5.724 1.00 0.00 O ATOM 868 CB ASP A 84 -11.030 5.295 4.222 1.00 0.00 C ATOM 869 CG ASP A 84 -12.367 4.586 4.130 1.00 0.00 C ATOM 870 OD1 ASP A 84 -13.052 4.741 3.097 1.00 0.00 O ATOM 871 OD2 ASP A 84 -12.729 3.875 5.091 1.00 0.00 O ATOM 0 H ASP A 84 -8.956 6.581 3.416 1.00 0.00 H new ATOM 0 HA ASP A 84 -11.816 6.678 2.768 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -10.261 4.675 3.761 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -10.757 5.415 5.270 1.00 0.00 H new ATOM 876 N MET A 85 -11.377 9.003 4.123 1.00 0.00 N ATOM 877 CA MET A 85 -11.701 10.127 4.997 1.00 0.00 C ATOM 878 C MET A 85 -12.726 11.042 4.342 1.00 0.00 C ATOM 879 O MET A 85 -13.712 11.438 4.964 1.00 0.00 O ATOM 880 CB MET A 85 -10.441 10.920 5.341 1.00 0.00 C ATOM 881 CG MET A 85 -9.542 10.215 6.338 1.00 0.00 C ATOM 882 SD MET A 85 -8.083 11.182 6.771 1.00 0.00 S ATOM 883 CE MET A 85 -7.576 10.370 8.286 1.00 0.00 C ATOM 0 H MET A 85 -11.140 9.267 3.167 1.00 0.00 H new ATOM 0 HA MET A 85 -12.128 9.726 5.916 1.00 0.00 H new ATOM 0 HB2 MET A 85 -9.879 11.110 4.427 1.00 0.00 H new ATOM 0 HB3 MET A 85 -10.730 11.890 5.745 1.00 0.00 H new ATOM 0 HG2 MET A 85 -10.110 9.999 7.243 1.00 0.00 H new ATOM 0 HG3 MET A 85 -9.227 9.258 5.923 1.00 0.00 H new ATOM 0 HE1 MET A 85 -6.682 10.856 8.678 1.00 0.00 H new ATOM 0 HE2 MET A 85 -8.378 10.438 9.021 1.00 0.00 H new ATOM 0 HE3 MET A 85 -7.359 9.322 8.082 1.00 0.00 H new ATOM 893 N GLN A 86 -12.482 11.376 3.080 1.00 0.00 N ATOM 894 CA GLN A 86 -13.377 12.250 2.326 1.00 0.00 C ATOM 895 C GLN A 86 -14.831 11.803 2.461 1.00 0.00 C ATOM 896 O GLN A 86 -15.749 12.622 2.403 1.00 0.00 O ATOM 897 CB GLN A 86 -12.975 12.274 0.850 1.00 0.00 C ATOM 898 CG GLN A 86 -13.132 13.639 0.201 1.00 0.00 C ATOM 899 CD GLN A 86 -12.087 14.632 0.671 1.00 0.00 C ATOM 900 OE1 GLN A 86 -10.907 14.300 0.785 1.00 0.00 O ATOM 901 NE2 GLN A 86 -12.517 15.857 0.947 1.00 0.00 N ATOM 0 H GLN A 86 -11.669 11.054 2.555 1.00 0.00 H new ATOM 0 HA GLN A 86 -13.289 13.255 2.739 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -11.937 11.955 0.759 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -13.580 11.550 0.305 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -13.065 13.532 -0.882 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -14.125 14.030 0.422 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -13.505 16.087 0.838 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -11.860 16.568 1.268 1.00 0.00 H new ATOM 910 N HIS A 87 -15.034 10.503 2.643 1.00 0.00 N ATOM 911 CA HIS A 87 -16.378 9.954 2.788 1.00 0.00 C ATOM 912 C HIS A 87 -16.993 10.380 4.119 1.00 0.00 C ATOM 913 O HIS A 87 -17.146 9.570 5.032 1.00 0.00 O ATOM 914 CB HIS A 87 -16.354 8.425 2.692 1.00 0.00 C ATOM 915 CG HIS A 87 -15.372 7.892 1.694 1.00 0.00 C ATOM 916 ND1 HIS A 87 -14.090 7.510 2.030 1.00 0.00 N ATOM 917 CD2 HIS A 87 -15.492 7.670 0.363 1.00 0.00 C ATOM 918 CE1 HIS A 87 -13.466 7.075 0.949 1.00 0.00 C ATOM 919 NE2 HIS A 87 -14.294 7.162 -0.074 1.00 0.00 N ATOM 0 H HIS A 87 -14.287 9.810 2.694 1.00 0.00 H new ATOM 0 HA HIS A 87 -16.989 10.346 1.975 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -16.119 8.013 3.673 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -17.351 8.072 2.429 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -16.367 7.858 -0.242 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -12.450 6.710 0.910 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -14.079 6.895 -1.035 1.00 0.00 H new ATOM 1110 N LEU A 101 -4.215 17.568 -0.298 1.00 0.00 N ATOM 1111 CA LEU A 101 -4.710 17.408 -1.663 1.00 0.00 C ATOM 1112 C LEU A 101 -5.663 16.216 -1.753 1.00 0.00 C ATOM 1113 O LEU A 101 -5.354 15.131 -1.262 1.00 0.00 O ATOM 1114 CB LEU A 101 -3.549 17.218 -2.646 1.00 0.00 C ATOM 1115 CG LEU A 101 -2.276 18.007 -2.326 1.00 0.00 C ATOM 1116 CD1 LEU A 101 -1.290 17.914 -3.479 1.00 0.00 C ATOM 1117 CD2 LEU A 101 -2.608 19.460 -2.023 1.00 0.00 C ATOM 0 HA LEU A 101 -5.251 18.316 -1.931 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -3.298 16.158 -2.684 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -3.890 17.501 -3.642 1.00 0.00 H new ATOM 0 HG LEU A 101 -1.814 17.570 -1.441 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -0.391 18.480 -3.235 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -1.027 16.870 -3.649 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -1.744 18.325 -4.380 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -1.690 20.004 -1.798 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -3.094 19.910 -2.889 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -3.278 19.509 -1.165 1.00 0.00 H new ATOM 1129 N PRO A 102 -6.838 16.399 -2.380 1.00 0.00 N ATOM 1130 CA PRO A 102 -7.829 15.326 -2.521 1.00 0.00 C ATOM 1131 C PRO A 102 -7.269 14.105 -3.242 1.00 0.00 C ATOM 1132 O PRO A 102 -7.816 13.007 -3.137 1.00 0.00 O ATOM 1133 CB PRO A 102 -8.945 15.968 -3.352 1.00 0.00 C ATOM 1134 CG PRO A 102 -8.772 17.435 -3.163 1.00 0.00 C ATOM 1135 CD PRO A 102 -7.297 17.657 -2.995 1.00 0.00 C ATOM 0 HA PRO A 102 -8.161 14.957 -1.550 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -8.862 15.693 -4.403 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -9.928 15.640 -3.013 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -9.155 17.987 -4.021 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -9.322 17.784 -2.289 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -6.806 17.841 -3.950 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -7.089 18.517 -2.358 1.00 0.00 H new ATOM 1143 N HIS A 103 -6.180 14.301 -3.979 1.00 0.00 N ATOM 1144 CA HIS A 103 -5.556 13.211 -4.720 1.00 0.00 C ATOM 1145 C HIS A 103 -4.327 12.666 -3.992 1.00 0.00 C ATOM 1146 O HIS A 103 -3.767 11.645 -4.390 1.00 0.00 O ATOM 1147 CB HIS A 103 -5.166 13.679 -6.122 1.00 0.00 C ATOM 1148 CG HIS A 103 -4.140 14.770 -6.126 1.00 0.00 C ATOM 1149 ND1 HIS A 103 -2.861 14.604 -5.637 1.00 0.00 N ATOM 1150 CD2 HIS A 103 -4.211 16.050 -6.561 1.00 0.00 C ATOM 1151 CE1 HIS A 103 -2.191 15.735 -5.771 1.00 0.00 C ATOM 1152 NE2 HIS A 103 -2.987 16.628 -6.329 1.00 0.00 N ATOM 0 H HIS A 103 -5.713 15.202 -4.079 1.00 0.00 H new ATOM 0 HA HIS A 103 -6.286 12.405 -4.798 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -4.782 12.829 -6.686 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -6.059 14.029 -6.641 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -5.070 16.528 -7.008 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -1.166 15.901 -5.474 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -2.734 17.591 -6.552 1.00 0.00 H new ATOM 1161 N GLU A 104 -3.904 13.350 -2.928 1.00 0.00 N ATOM 1162 CA GLU A 104 -2.737 12.923 -2.158 1.00 0.00 C ATOM 1163 C GLU A 104 -2.790 11.428 -1.859 1.00 0.00 C ATOM 1164 O GLU A 104 -1.758 10.763 -1.780 1.00 0.00 O ATOM 1165 CB GLU A 104 -2.649 13.704 -0.846 1.00 0.00 C ATOM 1166 CG GLU A 104 -1.910 15.026 -0.973 1.00 0.00 C ATOM 1167 CD GLU A 104 -0.631 15.062 -0.160 1.00 0.00 C ATOM 1168 OE1 GLU A 104 -0.702 15.387 1.044 1.00 0.00 O ATOM 1169 OE2 GLU A 104 0.442 14.765 -0.727 1.00 0.00 O ATOM 0 H GLU A 104 -4.351 14.199 -2.581 1.00 0.00 H new ATOM 0 HA GLU A 104 -1.851 13.125 -2.760 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -3.657 13.895 -0.478 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -2.148 13.088 -0.099 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -1.674 15.206 -2.022 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -2.564 15.836 -0.650 1.00 0.00 H new ATOM 1176 N ASN A 105 -4.000 10.909 -1.688 1.00 0.00 N ATOM 1177 CA ASN A 105 -4.187 9.494 -1.391 1.00 0.00 C ATOM 1178 C ASN A 105 -4.069 8.640 -2.652 1.00 0.00 C ATOM 1179 O ASN A 105 -3.224 7.749 -2.726 1.00 0.00 O ATOM 1180 CB ASN A 105 -5.543 9.258 -0.717 1.00 0.00 C ATOM 1181 CG ASN A 105 -6.674 10.014 -1.387 1.00 0.00 C ATOM 1182 OD1 ASN A 105 -7.266 9.539 -2.357 1.00 0.00 O ATOM 1183 ND2 ASN A 105 -6.979 11.199 -0.872 1.00 0.00 N ATOM 0 H ASN A 105 -4.865 11.446 -1.750 1.00 0.00 H new ATOM 0 HA ASN A 105 -3.396 9.194 -0.704 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -5.768 8.192 -0.729 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -5.481 9.559 0.329 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -7.730 11.755 -1.281 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -6.462 11.554 -0.067 1.00 0.00 H new ATOM 1190 N VAL A 106 -4.922 8.910 -3.637 1.00 0.00 N ATOM 1191 CA VAL A 106 -4.913 8.154 -4.886 1.00 0.00 C ATOM 1192 C VAL A 106 -3.537 8.165 -5.549 1.00 0.00 C ATOM 1193 O VAL A 106 -3.027 7.119 -5.950 1.00 0.00 O ATOM 1194 CB VAL A 106 -5.957 8.696 -5.883 1.00 0.00 C ATOM 1195 CG1 VAL A 106 -7.363 8.553 -5.318 1.00 0.00 C ATOM 1196 CG2 VAL A 106 -5.663 10.145 -6.238 1.00 0.00 C ATOM 0 H VAL A 106 -5.627 9.646 -3.594 1.00 0.00 H new ATOM 0 HA VAL A 106 -5.168 7.128 -4.622 1.00 0.00 H new ATOM 0 HB VAL A 106 -5.895 8.105 -6.797 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -8.085 8.941 -6.036 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -7.572 7.501 -5.125 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -7.440 9.115 -4.387 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -6.412 10.506 -6.942 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -5.691 10.754 -5.334 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -4.675 10.215 -6.692 1.00 0.00 H new ATOM 1206 N ASP A 107 -2.941 9.347 -5.665 1.00 0.00 N ATOM 1207 CA ASP A 107 -1.627 9.477 -6.285 1.00 0.00 C ATOM 1208 C ASP A 107 -0.580 8.690 -5.504 1.00 0.00 C ATOM 1209 O ASP A 107 0.089 7.811 -6.049 1.00 0.00 O ATOM 1210 CB ASP A 107 -1.221 10.950 -6.364 1.00 0.00 C ATOM 1211 CG ASP A 107 -0.404 11.260 -7.603 1.00 0.00 C ATOM 1212 OD1 ASP A 107 0.215 10.326 -8.155 1.00 0.00 O ATOM 1213 OD2 ASP A 107 -0.384 12.436 -8.021 1.00 0.00 O ATOM 0 H ASP A 107 -3.345 10.225 -5.339 1.00 0.00 H new ATOM 0 HA ASP A 107 -1.685 9.069 -7.294 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -2.116 11.571 -6.358 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -0.645 11.213 -5.477 1.00 0.00 H new ATOM 1218 N ASP A 108 -0.448 9.008 -4.223 1.00 0.00 N ATOM 1219 CA ASP A 108 0.513 8.329 -3.365 1.00 0.00 C ATOM 1220 C ASP A 108 0.210 6.835 -3.279 1.00 0.00 C ATOM 1221 O ASP A 108 1.077 6.039 -2.918 1.00 0.00 O ATOM 1222 CB ASP A 108 0.503 8.948 -1.966 1.00 0.00 C ATOM 1223 CG ASP A 108 1.809 8.729 -1.225 1.00 0.00 C ATOM 1224 OD1 ASP A 108 2.714 8.081 -1.793 1.00 0.00 O ATOM 1225 OD2 ASP A 108 1.926 9.207 -0.077 1.00 0.00 O ATOM 0 H ASP A 108 -0.994 9.732 -3.756 1.00 0.00 H new ATOM 0 HA ASP A 108 1.504 8.452 -3.802 1.00 0.00 H new ATOM 0 HB2 ASP A 108 0.310 10.018 -2.047 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -0.315 8.519 -1.388 1.00 0.00 H new ATOM 1230 N MET A 109 -1.022 6.457 -3.616 1.00 0.00 N ATOM 1231 CA MET A 109 -1.425 5.057 -3.576 1.00 0.00 C ATOM 1232 C MET A 109 -0.695 4.256 -4.646 1.00 0.00 C ATOM 1233 O MET A 109 0.024 3.305 -4.342 1.00 0.00 O ATOM 1234 CB MET A 109 -2.936 4.928 -3.771 1.00 0.00 C ATOM 1235 CG MET A 109 -3.635 4.237 -2.614 1.00 0.00 C ATOM 1236 SD MET A 109 -4.167 5.388 -1.336 1.00 0.00 S ATOM 1237 CE MET A 109 -5.911 5.001 -1.263 1.00 0.00 C ATOM 0 H MET A 109 -1.754 7.100 -3.918 1.00 0.00 H new ATOM 0 HA MET A 109 -1.160 4.657 -2.597 1.00 0.00 H new ATOM 0 HB2 MET A 109 -3.364 5.922 -3.904 1.00 0.00 H new ATOM 0 HB3 MET A 109 -3.131 4.372 -4.688 1.00 0.00 H new ATOM 0 HG2 MET A 109 -4.501 3.693 -2.991 1.00 0.00 H new ATOM 0 HG3 MET A 109 -2.962 3.500 -2.176 1.00 0.00 H new ATOM 0 HE1 MET A 109 -6.492 5.907 -1.433 1.00 0.00 H new ATOM 0 HE2 MET A 109 -6.153 4.265 -2.030 1.00 0.00 H new ATOM 0 HE3 MET A 109 -6.153 4.594 -0.281 1.00 0.00 H new ATOM 1247 N ARG A 110 -0.884 4.649 -5.902 1.00 0.00 N ATOM 1248 CA ARG A 110 -0.242 3.968 -7.019 1.00 0.00 C ATOM 1249 C ARG A 110 1.261 3.848 -6.786 1.00 0.00 C ATOM 1250 O ARG A 110 1.905 2.928 -7.289 1.00 0.00 O ATOM 1251 CB ARG A 110 -0.512 4.715 -8.327 1.00 0.00 C ATOM 1252 CG ARG A 110 0.026 6.137 -8.338 1.00 0.00 C ATOM 1253 CD ARG A 110 0.765 6.445 -9.630 1.00 0.00 C ATOM 1254 NE ARG A 110 2.203 6.217 -9.507 1.00 0.00 N ATOM 1255 CZ ARG A 110 3.103 6.672 -10.377 1.00 0.00 C ATOM 1256 NH1 ARG A 110 2.718 7.378 -11.433 1.00 0.00 N ATOM 1257 NH2 ARG A 110 4.391 6.420 -10.190 1.00 0.00 N ATOM 0 H ARG A 110 -1.476 5.435 -6.171 1.00 0.00 H new ATOM 0 HA ARG A 110 -0.663 2.965 -7.093 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -0.065 4.160 -9.152 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -1.587 4.741 -8.506 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -0.798 6.839 -8.213 1.00 0.00 H new ATOM 0 HG3 ARG A 110 0.697 6.279 -7.491 1.00 0.00 H new ATOM 0 HD2 ARG A 110 0.367 5.823 -10.432 1.00 0.00 H new ATOM 0 HD3 ARG A 110 0.585 7.483 -9.912 1.00 0.00 H new ATOM 0 HE ARG A 110 2.537 5.678 -8.708 1.00 0.00 H new ATOM 0 HH11 ARG A 110 1.728 7.575 -11.582 1.00 0.00 H new ATOM 0 HH12 ARG A 110 3.412 7.724 -12.096 1.00 0.00 H new ATOM 0 HH21 ARG A 110 4.692 5.878 -9.380 1.00 0.00 H new ATOM 0 HH22 ARG A 110 5.081 6.768 -10.856 1.00 0.00 H new ATOM 1271 N SER A 111 1.812 4.778 -6.013 1.00 0.00 N ATOM 1272 CA SER A 111 3.237 4.765 -5.708 1.00 0.00 C ATOM 1273 C SER A 111 3.585 3.556 -4.844 1.00 0.00 C ATOM 1274 O SER A 111 4.624 2.920 -5.033 1.00 0.00 O ATOM 1275 CB SER A 111 3.640 6.055 -4.992 1.00 0.00 C ATOM 1276 OG SER A 111 5.035 6.088 -4.745 1.00 0.00 O ATOM 0 H SER A 111 1.295 5.548 -5.588 1.00 0.00 H new ATOM 0 HA SER A 111 3.789 4.697 -6.645 1.00 0.00 H new ATOM 0 HB2 SER A 111 3.355 6.915 -5.598 1.00 0.00 H new ATOM 0 HB3 SER A 111 3.099 6.135 -4.049 1.00 0.00 H new ATOM 0 HG SER A 111 5.267 6.923 -4.288 1.00 0.00 H new ATOM 1282 N ALA A 112 2.705 3.243 -3.897 1.00 0.00 N ATOM 1283 CA ALA A 112 2.913 2.109 -3.005 1.00 0.00 C ATOM 1284 C ALA A 112 2.978 0.804 -3.788 1.00 0.00 C ATOM 1285 O ALA A 112 3.844 -0.036 -3.541 1.00 0.00 O ATOM 1286 CB ALA A 112 1.807 2.045 -1.961 1.00 0.00 C ATOM 0 H ALA A 112 1.842 3.759 -3.728 1.00 0.00 H new ATOM 0 HA ALA A 112 3.867 2.248 -2.497 1.00 0.00 H new ATOM 0 HB1 ALA A 112 1.977 1.193 -1.303 1.00 0.00 H new ATOM 0 HB2 ALA A 112 1.808 2.963 -1.374 1.00 0.00 H new ATOM 0 HB3 ALA A 112 0.843 1.933 -2.458 1.00 0.00 H new ATOM 1292 N ILE A 113 2.060 0.637 -4.735 1.00 0.00 N ATOM 1293 CA ILE A 113 2.024 -0.570 -5.550 1.00 0.00 C ATOM 1294 C ILE A 113 3.299 -0.707 -6.376 1.00 0.00 C ATOM 1295 O ILE A 113 3.715 -1.812 -6.709 1.00 0.00 O ATOM 1296 CB ILE A 113 0.785 -0.599 -6.477 1.00 0.00 C ATOM 1297 CG1 ILE A 113 0.287 -2.035 -6.650 1.00 0.00 C ATOM 1298 CG2 ILE A 113 1.090 0.025 -7.834 1.00 0.00 C ATOM 1299 CD1 ILE A 113 -0.815 -2.412 -5.684 1.00 0.00 C ATOM 0 H ILE A 113 1.335 1.319 -4.956 1.00 0.00 H new ATOM 0 HA ILE A 113 1.953 -1.416 -4.867 1.00 0.00 H new ATOM 0 HB ILE A 113 0.001 -0.006 -6.007 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -0.074 -2.165 -7.670 1.00 0.00 H new ATOM 0 HG13 ILE A 113 1.125 -2.720 -6.519 1.00 0.00 H new ATOM 0 HG21 ILE A 113 0.198 -0.012 -8.460 1.00 0.00 H new ATOM 0 HG22 ILE A 113 1.395 1.063 -7.697 1.00 0.00 H new ATOM 0 HG23 ILE A 113 1.895 -0.529 -8.316 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -1.119 -3.443 -5.864 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -0.451 -2.314 -4.661 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -1.669 -1.751 -5.830 1.00 0.00 H new ATOM 1311 N THR A 114 3.920 0.423 -6.700 1.00 0.00 N ATOM 1312 CA THR A 114 5.151 0.412 -7.478 1.00 0.00 C ATOM 1313 C THR A 114 6.235 -0.359 -6.734 1.00 0.00 C ATOM 1314 O THR A 114 6.995 -1.122 -7.332 1.00 0.00 O ATOM 1315 CB THR A 114 5.621 1.841 -7.757 1.00 0.00 C ATOM 1316 OG1 THR A 114 4.612 2.579 -8.424 1.00 0.00 O ATOM 1317 CG2 THR A 114 6.872 1.905 -8.606 1.00 0.00 C ATOM 0 H THR A 114 3.592 1.352 -6.437 1.00 0.00 H new ATOM 0 HA THR A 114 4.955 -0.082 -8.430 1.00 0.00 H new ATOM 0 HB THR A 114 5.843 2.268 -6.779 1.00 0.00 H new ATOM 0 HG1 THR A 114 3.837 2.683 -7.833 1.00 0.00 H new ATOM 0 HG21 THR A 114 7.150 2.947 -8.766 1.00 0.00 H new ATOM 0 HG22 THR A 114 7.684 1.386 -8.097 1.00 0.00 H new ATOM 0 HG23 THR A 114 6.684 1.428 -9.568 1.00 0.00 H new ATOM 1325 N ASP A 115 6.290 -0.159 -5.421 1.00 0.00 N ATOM 1326 CA ASP A 115 7.270 -0.839 -4.583 1.00 0.00 C ATOM 1327 C ASP A 115 6.778 -2.230 -4.197 1.00 0.00 C ATOM 1328 O ASP A 115 7.545 -3.193 -4.196 1.00 0.00 O ATOM 1329 CB ASP A 115 7.554 -0.016 -3.324 1.00 0.00 C ATOM 1330 CG ASP A 115 9.025 0.314 -3.166 1.00 0.00 C ATOM 1331 OD1 ASP A 115 9.742 0.337 -4.189 1.00 0.00 O ATOM 1332 OD2 ASP A 115 9.461 0.551 -2.020 1.00 0.00 O ATOM 0 H ASP A 115 5.666 0.469 -4.914 1.00 0.00 H new ATOM 0 HA ASP A 115 8.193 -0.944 -5.154 1.00 0.00 H new ATOM 0 HB2 ASP A 115 6.979 0.909 -3.361 1.00 0.00 H new ATOM 0 HB3 ASP A 115 7.213 -0.568 -2.448 1.00 0.00 H new ATOM 1337 N TRP A 116 5.492 -2.329 -3.870 1.00 0.00 N ATOM 1338 CA TRP A 116 4.898 -3.603 -3.483 1.00 0.00 C ATOM 1339 C TRP A 116 4.849 -4.560 -4.668 1.00 0.00 C ATOM 1340 O TRP A 116 5.174 -5.740 -4.537 1.00 0.00 O ATOM 1341 CB TRP A 116 3.495 -3.387 -2.912 1.00 0.00 C ATOM 1342 CG TRP A 116 3.507 -3.040 -1.455 1.00 0.00 C ATOM 1343 CD1 TRP A 116 3.545 -1.789 -0.910 1.00 0.00 C ATOM 1344 CD2 TRP A 116 3.494 -3.957 -0.355 1.00 0.00 C ATOM 1345 NE1 TRP A 116 3.557 -1.872 0.461 1.00 0.00 N ATOM 1346 CE2 TRP A 116 3.527 -3.193 0.826 1.00 0.00 C ATOM 1347 CE3 TRP A 116 3.456 -5.351 -0.254 1.00 0.00 C ATOM 1348 CZ2 TRP A 116 3.527 -3.778 2.090 1.00 0.00 C ATOM 1349 CZ3 TRP A 116 3.454 -5.929 1.000 1.00 0.00 C ATOM 1350 CH2 TRP A 116 3.490 -5.143 2.158 1.00 0.00 C ATOM 0 H TRP A 116 4.843 -1.542 -3.866 1.00 0.00 H new ATOM 0 HA TRP A 116 5.523 -4.050 -2.710 1.00 0.00 H new ATOM 0 HB2 TRP A 116 3.001 -2.589 -3.467 1.00 0.00 H new ATOM 0 HB3 TRP A 116 2.904 -4.291 -3.060 1.00 0.00 H new ATOM 0 HD1 TRP A 116 3.563 -0.868 -1.474 1.00 0.00 H new ATOM 0 HE1 TRP A 116 3.584 -1.080 1.103 1.00 0.00 H new ATOM 0 HE3 TRP A 116 3.429 -5.965 -1.142 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 3.555 -3.174 2.985 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 3.424 -7.005 1.089 1.00 0.00 H new ATOM 0 HH2 TRP A 116 3.489 -5.625 3.125 1.00 0.00 H new ATOM 1361 N SER A 117 4.455 -4.044 -5.828 1.00 0.00 N ATOM 1362 CA SER A 117 4.382 -4.858 -7.037 1.00 0.00 C ATOM 1363 C SER A 117 5.745 -5.471 -7.338 1.00 0.00 C ATOM 1364 O SER A 117 5.863 -6.676 -7.569 1.00 0.00 O ATOM 1365 CB SER A 117 3.914 -4.016 -8.226 1.00 0.00 C ATOM 1366 OG SER A 117 2.575 -3.585 -8.051 1.00 0.00 O ATOM 0 H SER A 117 4.182 -3.070 -5.957 1.00 0.00 H new ATOM 0 HA SER A 117 3.659 -5.657 -6.872 1.00 0.00 H new ATOM 0 HB2 SER A 117 4.566 -3.150 -8.341 1.00 0.00 H new ATOM 0 HB3 SER A 117 3.994 -4.600 -9.143 1.00 0.00 H new ATOM 0 HG SER A 117 2.563 -2.624 -7.858 1.00 0.00 H new ATOM 1372 N ASP A 118 6.776 -4.630 -7.314 1.00 0.00 N ATOM 1373 CA ASP A 118 8.138 -5.083 -7.566 1.00 0.00 C ATOM 1374 C ASP A 118 8.532 -6.151 -6.553 1.00 0.00 C ATOM 1375 O ASP A 118 9.293 -7.068 -6.863 1.00 0.00 O ATOM 1376 CB ASP A 118 9.113 -3.907 -7.489 1.00 0.00 C ATOM 1377 CG ASP A 118 10.534 -4.310 -7.830 1.00 0.00 C ATOM 1378 OD1 ASP A 118 10.768 -4.752 -8.974 1.00 0.00 O ATOM 1379 OD2 ASP A 118 11.413 -4.185 -6.951 1.00 0.00 O ATOM 0 H ASP A 118 6.692 -3.632 -7.122 1.00 0.00 H new ATOM 0 HA ASP A 118 8.182 -5.510 -8.568 1.00 0.00 H new ATOM 0 HB2 ASP A 118 8.787 -3.123 -8.172 1.00 0.00 H new ATOM 0 HB3 ASP A 118 9.089 -3.484 -6.485 1.00 0.00 H new ATOM 1384 N MET A 119 7.999 -6.026 -5.342 1.00 0.00 N ATOM 1385 CA MET A 119 8.282 -6.978 -4.278 1.00 0.00 C ATOM 1386 C MET A 119 7.600 -8.312 -4.557 1.00 0.00 C ATOM 1387 O MET A 119 8.149 -9.374 -4.267 1.00 0.00 O ATOM 1388 CB MET A 119 7.811 -6.423 -2.932 1.00 0.00 C ATOM 1389 CG MET A 119 8.663 -6.874 -1.758 1.00 0.00 C ATOM 1390 SD MET A 119 8.569 -5.742 -0.359 1.00 0.00 S ATOM 1391 CE MET A 119 10.224 -5.895 0.309 1.00 0.00 C ATOM 0 H MET A 119 7.367 -5.272 -5.074 1.00 0.00 H new ATOM 0 HA MET A 119 9.359 -7.138 -4.239 1.00 0.00 H new ATOM 0 HB2 MET A 119 7.815 -5.334 -2.976 1.00 0.00 H new ATOM 0 HB3 MET A 119 6.780 -6.732 -2.762 1.00 0.00 H new ATOM 0 HG2 MET A 119 8.342 -7.866 -1.440 1.00 0.00 H new ATOM 0 HG3 MET A 119 9.701 -6.963 -2.080 1.00 0.00 H new ATOM 0 HE1 MET A 119 10.330 -5.239 1.173 1.00 0.00 H new ATOM 0 HE2 MET A 119 10.400 -6.927 0.613 1.00 0.00 H new ATOM 0 HE3 MET A 119 10.951 -5.613 -0.452 1.00 0.00 H new ATOM 1401 N ARG A 120 6.401 -8.251 -5.127 1.00 0.00 N ATOM 1402 CA ARG A 120 5.647 -9.457 -5.450 1.00 0.00 C ATOM 1403 C ARG A 120 6.508 -10.439 -6.241 1.00 0.00 C ATOM 1404 O ARG A 120 6.575 -11.624 -5.916 1.00 0.00 O ATOM 1405 CB ARG A 120 4.390 -9.099 -6.249 1.00 0.00 C ATOM 1406 CG ARG A 120 3.094 -9.441 -5.532 1.00 0.00 C ATOM 1407 CD ARG A 120 2.828 -10.939 -5.535 1.00 0.00 C ATOM 1408 NE ARG A 120 1.547 -11.267 -6.159 1.00 0.00 N ATOM 1409 CZ ARG A 120 1.378 -11.434 -7.469 1.00 0.00 C ATOM 1410 NH1 ARG A 120 2.404 -11.305 -8.302 1.00 0.00 N ATOM 1411 NH2 ARG A 120 0.178 -11.730 -7.949 1.00 0.00 N ATOM 0 H ARG A 120 5.931 -7.380 -5.375 1.00 0.00 H new ATOM 0 HA ARG A 120 5.350 -9.934 -4.516 1.00 0.00 H new ATOM 0 HB2 ARG A 120 4.402 -8.032 -6.470 1.00 0.00 H new ATOM 0 HB3 ARG A 120 4.416 -9.623 -7.205 1.00 0.00 H new ATOM 0 HG2 ARG A 120 3.141 -9.082 -4.504 1.00 0.00 H new ATOM 0 HG3 ARG A 120 2.264 -8.923 -6.013 1.00 0.00 H new ATOM 0 HD2 ARG A 120 3.631 -11.449 -6.067 1.00 0.00 H new ATOM 0 HD3 ARG A 120 2.838 -11.311 -4.510 1.00 0.00 H new ATOM 0 HE ARG A 120 0.733 -11.374 -5.554 1.00 0.00 H new ATOM 0 HH11 ARG A 120 3.330 -11.076 -7.939 1.00 0.00 H new ATOM 0 HH12 ARG A 120 2.267 -11.435 -9.304 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -0.615 -11.830 -7.315 1.00 0.00 H new ATOM 0 HH22 ARG A 120 0.047 -11.858 -8.952 1.00 0.00 H new ATOM 1425 N GLU A 121 7.167 -9.933 -7.279 1.00 0.00 N ATOM 1426 CA GLU A 121 8.026 -10.762 -8.117 1.00 0.00 C ATOM 1427 C GLU A 121 9.414 -10.911 -7.501 1.00 0.00 C ATOM 1428 O GLU A 121 9.991 -11.998 -7.502 1.00 0.00 O ATOM 1429 CB GLU A 121 8.140 -10.160 -9.519 1.00 0.00 C ATOM 1430 CG GLU A 121 7.091 -10.676 -10.489 1.00 0.00 C ATOM 1431 CD GLU A 121 7.352 -12.105 -10.923 1.00 0.00 C ATOM 1432 OE1 GLU A 121 7.954 -12.864 -10.134 1.00 0.00 O ATOM 1433 OE2 GLU A 121 6.956 -12.465 -12.051 1.00 0.00 O ATOM 0 H GLU A 121 7.122 -8.953 -7.560 1.00 0.00 H new ATOM 0 HA GLU A 121 7.574 -11.751 -8.188 1.00 0.00 H new ATOM 0 HB2 GLU A 121 8.055 -9.076 -9.448 1.00 0.00 H new ATOM 0 HB3 GLU A 121 9.131 -10.377 -9.919 1.00 0.00 H new ATOM 0 HG2 GLU A 121 6.108 -10.616 -10.022 1.00 0.00 H new ATOM 0 HG3 GLU A 121 7.066 -10.032 -11.368 1.00 0.00 H new ATOM 1440 N ALA A 122 9.946 -9.810 -6.978 1.00 0.00 N ATOM 1441 CA ALA A 122 11.268 -9.818 -6.363 1.00 0.00 C ATOM 1442 C ALA A 122 11.307 -10.736 -5.146 1.00 0.00 C ATOM 1443 O ALA A 122 12.081 -11.693 -5.101 1.00 0.00 O ATOM 1444 CB ALA A 122 11.674 -8.406 -5.970 1.00 0.00 C ATOM 0 H ALA A 122 9.482 -8.902 -6.968 1.00 0.00 H new ATOM 0 HA ALA A 122 11.978 -10.201 -7.096 1.00 0.00 H new ATOM 0 HB1 ALA A 122 12.663 -8.426 -5.512 1.00 0.00 H new ATOM 0 HB2 ALA A 122 11.698 -7.774 -6.858 1.00 0.00 H new ATOM 0 HB3 ALA A 122 10.953 -8.005 -5.258 1.00 0.00 H new ATOM 1450 N LEU A 123 10.470 -10.436 -4.159 1.00 0.00 N ATOM 1451 CA LEU A 123 10.408 -11.230 -2.937 1.00 0.00 C ATOM 1452 C LEU A 123 10.143 -12.701 -3.247 1.00 0.00 C ATOM 1453 O LEU A 123 10.759 -13.588 -2.657 1.00 0.00 O ATOM 1454 CB LEU A 123 9.321 -10.686 -2.007 1.00 0.00 C ATOM 1455 CG LEU A 123 9.694 -10.656 -0.525 1.00 0.00 C ATOM 1456 CD1 LEU A 123 10.859 -9.707 -0.288 1.00 0.00 C ATOM 1457 CD2 LEU A 123 8.493 -10.253 0.319 1.00 0.00 C ATOM 0 H LEU A 123 9.824 -9.647 -4.181 1.00 0.00 H new ATOM 0 HA LEU A 123 11.375 -11.157 -2.439 1.00 0.00 H new ATOM 0 HB2 LEU A 123 9.067 -9.674 -2.323 1.00 0.00 H new ATOM 0 HB3 LEU A 123 8.423 -11.293 -2.128 1.00 0.00 H new ATOM 0 HG LEU A 123 10.002 -11.658 -0.226 1.00 0.00 H new ATOM 0 HD11 LEU A 123 11.111 -9.698 0.772 1.00 0.00 H new ATOM 0 HD12 LEU A 123 11.723 -10.040 -0.864 1.00 0.00 H new ATOM 0 HD13 LEU A 123 10.579 -8.702 -0.603 1.00 0.00 H new ATOM 0 HD21 LEU A 123 8.777 -10.237 1.371 1.00 0.00 H new ATOM 0 HD22 LEU A 123 8.154 -9.261 0.019 1.00 0.00 H new ATOM 0 HD23 LEU A 123 7.687 -10.972 0.172 1.00 0.00 H new ATOM 1469 N GLN A 124 9.226 -12.954 -4.176 1.00 0.00 N ATOM 1470 CA GLN A 124 8.886 -14.320 -4.559 1.00 0.00 C ATOM 1471 C GLN A 124 10.116 -15.062 -5.074 1.00 0.00 C ATOM 1472 O GLN A 124 10.416 -16.171 -4.631 1.00 0.00 O ATOM 1473 CB GLN A 124 7.794 -14.316 -5.630 1.00 0.00 C ATOM 1474 CG GLN A 124 6.386 -14.390 -5.062 1.00 0.00 C ATOM 1475 CD GLN A 124 5.326 -14.471 -6.143 1.00 0.00 C ATOM 1476 OE1 GLN A 124 4.374 -13.690 -6.155 1.00 0.00 O ATOM 1477 NE2 GLN A 124 5.486 -15.419 -7.059 1.00 0.00 N ATOM 0 H GLN A 124 8.706 -12.233 -4.676 1.00 0.00 H new ATOM 0 HA GLN A 124 8.515 -14.837 -3.674 1.00 0.00 H new ATOM 0 HB2 GLN A 124 7.888 -13.411 -6.230 1.00 0.00 H new ATOM 0 HB3 GLN A 124 7.951 -15.161 -6.301 1.00 0.00 H new ATOM 0 HG2 GLN A 124 6.305 -15.262 -4.413 1.00 0.00 H new ATOM 0 HG3 GLN A 124 6.201 -13.513 -4.442 1.00 0.00 H new ATOM 0 HE21 GLN A 124 6.290 -16.045 -7.010 1.00 0.00 H new ATOM 0 HE22 GLN A 124 4.805 -15.522 -7.811 1.00 0.00 H new ATOM 1486 N HIS A 125 10.823 -14.442 -6.012 1.00 0.00 N ATOM 1487 CA HIS A 125 12.020 -15.042 -6.588 1.00 0.00 C ATOM 1488 C HIS A 125 13.087 -15.260 -5.520 1.00 0.00 C ATOM 1489 O HIS A 125 13.708 -16.321 -5.455 1.00 0.00 O ATOM 1490 CB HIS A 125 12.574 -14.157 -7.705 1.00 0.00 C ATOM 1491 CG HIS A 125 13.744 -14.758 -8.420 1.00 0.00 C ATOM 1492 ND1 HIS A 125 13.622 -15.795 -9.322 1.00 0.00 N ATOM 1493 CD2 HIS A 125 15.064 -14.464 -8.365 1.00 0.00 C ATOM 1494 CE1 HIS A 125 14.817 -16.113 -9.788 1.00 0.00 C ATOM 1495 NE2 HIS A 125 15.708 -15.320 -9.224 1.00 0.00 N ATOM 0 H HIS A 125 10.588 -13.524 -6.390 1.00 0.00 H new ATOM 0 HA HIS A 125 11.745 -16.011 -7.005 1.00 0.00 H new ATOM 0 HB2 HIS A 125 11.781 -13.957 -8.426 1.00 0.00 H new ATOM 0 HB3 HIS A 125 12.871 -13.197 -7.283 1.00 0.00 H new ATOM 0 HD2 HIS A 125 15.525 -13.699 -7.758 1.00 0.00 H new ATOM 0 HE1 HIS A 125 15.028 -16.890 -10.508 1.00 0.00 H new ATOM 0 HE2 HIS A 125 16.713 -15.340 -9.398 1.00 0.00 H new ATOM 1504 N ALA A 126 13.295 -14.247 -4.685 1.00 0.00 N ATOM 1505 CA ALA A 126 14.288 -14.326 -3.621 1.00 0.00 C ATOM 1506 C ALA A 126 13.880 -15.344 -2.562 1.00 0.00 C ATOM 1507 O ALA A 126 14.727 -16.027 -1.985 1.00 0.00 O ATOM 1508 CB ALA A 126 14.491 -12.957 -2.989 1.00 0.00 C ATOM 0 H ALA A 126 12.789 -13.362 -4.725 1.00 0.00 H new ATOM 0 HA ALA A 126 15.229 -14.656 -4.060 1.00 0.00 H new ATOM 0 HB1 ALA A 126 15.235 -13.029 -2.196 1.00 0.00 H new ATOM 0 HB2 ALA A 126 14.836 -12.254 -3.747 1.00 0.00 H new ATOM 0 HB3 ALA A 126 13.548 -12.606 -2.571 1.00 0.00 H new ATOM 1514 N MET A 127 12.578 -15.444 -2.311 1.00 0.00 N ATOM 1515 CA MET A 127 12.059 -16.382 -1.321 1.00 0.00 C ATOM 1516 C MET A 127 12.478 -17.811 -1.652 1.00 0.00 C ATOM 1517 O MET A 127 12.655 -18.639 -0.759 1.00 0.00 O ATOM 1518 CB MET A 127 10.533 -16.292 -1.251 1.00 0.00 C ATOM 1519 CG MET A 127 9.943 -16.934 -0.006 1.00 0.00 C ATOM 1520 SD MET A 127 8.233 -17.456 -0.237 1.00 0.00 S ATOM 1521 CE MET A 127 7.387 -15.879 -0.174 1.00 0.00 C ATOM 0 H MET A 127 11.863 -14.887 -2.779 1.00 0.00 H new ATOM 0 HA MET A 127 12.478 -16.114 -0.351 1.00 0.00 H new ATOM 0 HB2 MET A 127 10.237 -15.243 -1.284 1.00 0.00 H new ATOM 0 HB3 MET A 127 10.108 -16.771 -2.133 1.00 0.00 H new ATOM 0 HG2 MET A 127 10.547 -17.797 0.274 1.00 0.00 H new ATOM 0 HG3 MET A 127 9.994 -16.227 0.822 1.00 0.00 H new ATOM 0 HE1 MET A 127 6.494 -15.970 0.444 1.00 0.00 H new ATOM 0 HE2 MET A 127 8.050 -15.127 0.255 1.00 0.00 H new ATOM 0 HE3 MET A 127 7.102 -15.579 -1.182 1.00 0.00 H new ATOM 1531 N GLY A 128 12.635 -18.090 -2.941 1.00 0.00 N ATOM 1532 CA GLY A 128 13.034 -19.418 -3.370 1.00 0.00 C ATOM 1533 C GLY A 128 12.124 -19.982 -4.444 1.00 0.00 C ATOM 1534 O GLY A 128 11.860 -21.184 -4.475 1.00 0.00 O ATOM 0 H GLY A 128 12.493 -17.420 -3.697 1.00 0.00 H new ATOM 0 HA2 GLY A 128 14.056 -19.382 -3.747 1.00 0.00 H new ATOM 0 HA3 GLY A 128 13.035 -20.089 -2.511 1.00 0.00 H new ATOM 1538 N ILE A 129 11.643 -19.114 -5.328 1.00 0.00 N ATOM 1539 CA ILE A 129 10.759 -19.534 -6.408 1.00 0.00 C ATOM 1540 C ILE A 129 11.270 -19.041 -7.757 1.00 0.00 C ATOM 1541 O ILE A 129 12.012 -18.061 -7.831 1.00 0.00 O ATOM 1542 CB ILE A 129 9.324 -19.016 -6.195 1.00 0.00 C ATOM 1543 CG1 ILE A 129 8.854 -19.323 -4.773 1.00 0.00 C ATOM 1544 CG2 ILE A 129 8.381 -19.634 -7.217 1.00 0.00 C ATOM 1545 CD1 ILE A 129 7.638 -18.525 -4.352 1.00 0.00 C ATOM 0 H ILE A 129 11.851 -18.115 -5.317 1.00 0.00 H new ATOM 0 HA ILE A 129 10.747 -20.624 -6.402 1.00 0.00 H new ATOM 0 HB ILE A 129 9.319 -17.935 -6.333 1.00 0.00 H new ATOM 0 HG12 ILE A 129 8.625 -20.386 -4.696 1.00 0.00 H new ATOM 0 HG13 ILE A 129 9.669 -19.121 -4.078 1.00 0.00 H new ATOM 0 HG21 ILE A 129 7.371 -19.258 -7.054 1.00 0.00 H new ATOM 0 HG22 ILE A 129 8.709 -19.368 -8.222 1.00 0.00 H new ATOM 0 HG23 ILE A 129 8.387 -20.719 -7.108 1.00 0.00 H new ATOM 0 HD11 ILE A 129 7.361 -18.794 -3.333 1.00 0.00 H new ATOM 0 HD12 ILE A 129 7.868 -17.461 -4.396 1.00 0.00 H new ATOM 0 HD13 ILE A 129 6.808 -18.745 -5.024 1.00 0.00 H new