USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 714 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 17 HIS : no HE2:sc= -14.5! C(o=-15!,f=-17!) USER MOD Set 1.2: A 30 TYR OH : rot 165:sc= -0.695 USER MOD Single : A 1 LYS N :NH3+ 164:sc= -0.465 (180deg=-1.29) USER MOD Single : A 1 LYS NZ :NH3+ -152:sc= -0.507 (180deg=-2.23!) USER MOD Single : A 2 LYS NZ :NH3+ -177:sc= -5.4 (180deg=-5.46) USER MOD Single : A 6 ASN : amide:sc= -0.423 X(o=-0.42,f=-0.021) USER MOD Single : A 9 GLN :FLIP amide:sc= 0 F(o=-0.92,f=0) USER MOD Single : A 12 SER OG : rot 180:sc= -0.0129 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -2.7! C(o=-2.7!,f=-4.3!) USER MOD Single : A 40 CYS SG : rot 71:sc= -1.82! USER MOD Single : A 42 THR OG1 : rot -131:sc= 0.944 USER MOD Single : A 47 TYR OH : rot -37:sc= -6.86! USER MOD Single : A 55 GLN : amide:sc= -0.682 K(o=-0.68,f=-2.3!) USER MOD Single : A 58 GLN : amide:sc= -0.276 K(o=-0.28,f=-2.5!) USER MOD Single : A 59 SER OG : rot -91:sc= 0.139 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 THR OG1 : rot -25:sc= -3.44! USER MOD Single : A 65 ASN : amide:sc= -0.0242 K(o=-0.024,f=-1.4!) USER MOD Single : A 69 SER OG : rot 170:sc= -3.39! USER MOD Single : A 72 GLN : amide:sc= -0.215 X(o=-0.21,f=-0.48) USER MOD Single : A 78 LYS NZ :NH3+ 155:sc= -0.162 (180deg=-1.3!) USER MOD Single : A 82 CYS SG : rot -127:sc= -1.29 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -6.692 4.708 11.180 1.00 0.00 N ATOM 2 CA LYS A 1 -6.867 4.464 9.720 1.00 0.00 C ATOM 3 C LYS A 1 -5.656 5.007 8.968 1.00 0.00 C ATOM 4 O LYS A 1 -5.768 5.572 7.895 1.00 0.00 O ATOM 5 CB LYS A 1 -8.136 5.168 9.232 1.00 0.00 C ATOM 6 CG LYS A 1 -8.347 6.452 10.039 1.00 0.00 C ATOM 7 CD LYS A 1 -9.644 7.131 9.595 1.00 0.00 C ATOM 8 CE LYS A 1 -10.121 8.084 10.692 1.00 0.00 C ATOM 9 NZ LYS A 1 -10.068 7.391 12.011 1.00 0.00 N ATOM 0 H1 LYS A 1 -7.606 4.594 11.663 1.00 0.00 H new ATOM 0 H2 LYS A 1 -6.009 4.026 11.567 1.00 0.00 H new ATOM 0 H3 LYS A 1 -6.339 5.675 11.331 1.00 0.00 H new ATOM 0 HA LYS A 1 -6.957 3.393 9.537 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -8.050 5.402 8.171 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -8.997 4.509 9.344 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -8.392 6.221 11.103 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -7.503 7.127 9.894 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -9.481 7.680 8.667 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -10.409 6.381 9.392 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -9.494 8.975 10.712 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -11.138 8.415 10.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -10.785 7.797 12.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -10.258 6.377 11.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -9.124 7.515 12.431 1.00 0.00 H new ATOM 25 N LYS A 2 -4.497 4.845 9.532 1.00 0.00 N ATOM 26 CA LYS A 2 -3.269 5.351 8.872 1.00 0.00 C ATOM 27 C LYS A 2 -2.314 4.191 8.575 1.00 0.00 C ATOM 28 O LYS A 2 -2.191 3.256 9.341 1.00 0.00 O ATOM 29 CB LYS A 2 -2.617 6.396 9.795 1.00 0.00 C ATOM 30 CG LYS A 2 -1.398 5.827 10.538 1.00 0.00 C ATOM 31 CD LYS A 2 -0.513 6.980 11.024 1.00 0.00 C ATOM 32 CE LYS A 2 0.311 7.556 9.858 1.00 0.00 C ATOM 33 NZ LYS A 2 0.239 6.659 8.668 1.00 0.00 N ATOM 0 H LYS A 2 -4.347 4.381 10.428 1.00 0.00 H new ATOM 0 HA LYS A 2 -3.514 5.821 7.920 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -2.311 7.260 9.205 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -3.351 6.748 10.519 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -1.724 5.223 11.385 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -0.830 5.171 9.878 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -1.133 7.763 11.461 1.00 0.00 H new ATOM 0 HD3 LYS A 2 0.155 6.627 11.810 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -0.062 8.546 9.596 1.00 0.00 H new ATOM 0 HE3 LYS A 2 1.350 7.678 10.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 0.842 7.039 7.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 0.569 5.708 8.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -0.744 6.604 8.334 1.00 0.00 H new ATOM 47 N ALA A 3 -1.623 4.267 7.475 1.00 0.00 N ATOM 48 CA ALA A 3 -0.652 3.195 7.119 1.00 0.00 C ATOM 49 C ALA A 3 0.735 3.822 6.958 1.00 0.00 C ATOM 50 O ALA A 3 0.870 4.935 6.497 1.00 0.00 O ATOM 51 CB ALA A 3 -1.074 2.533 5.806 1.00 0.00 C ATOM 0 H ALA A 3 -1.689 5.030 6.802 1.00 0.00 H new ATOM 0 HA ALA A 3 -0.629 2.440 7.905 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -0.362 1.749 5.548 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -2.067 2.098 5.921 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -1.095 3.280 5.012 1.00 0.00 H new ATOM 57 N VAL A 4 1.768 3.126 7.345 1.00 0.00 N ATOM 58 CA VAL A 4 3.137 3.704 7.219 1.00 0.00 C ATOM 59 C VAL A 4 4.047 2.740 6.457 1.00 0.00 C ATOM 60 O VAL A 4 4.423 1.700 6.960 1.00 0.00 O ATOM 61 CB VAL A 4 3.714 3.938 8.616 1.00 0.00 C ATOM 62 CG1 VAL A 4 5.095 4.588 8.500 1.00 0.00 C ATOM 63 CG2 VAL A 4 2.775 4.855 9.406 1.00 0.00 C ATOM 0 H VAL A 4 1.725 2.187 7.741 1.00 0.00 H new ATOM 0 HA VAL A 4 3.078 4.647 6.675 1.00 0.00 H new ATOM 0 HB VAL A 4 3.810 2.984 9.135 1.00 0.00 H new ATOM 0 HG11 VAL A 4 5.504 4.754 9.497 1.00 0.00 H new ATOM 0 HG12 VAL A 4 5.760 3.931 7.939 1.00 0.00 H new ATOM 0 HG13 VAL A 4 5.005 5.542 7.981 1.00 0.00 H new ATOM 0 HG21 VAL A 4 3.184 5.023 10.402 1.00 0.00 H new ATOM 0 HG22 VAL A 4 2.677 5.809 8.888 1.00 0.00 H new ATOM 0 HG23 VAL A 4 1.795 4.386 9.491 1.00 0.00 H new ATOM 73 N ILE A 5 4.422 3.081 5.252 1.00 0.00 N ATOM 74 CA ILE A 5 5.325 2.180 4.481 1.00 0.00 C ATOM 75 C ILE A 5 6.773 2.584 4.750 1.00 0.00 C ATOM 76 O ILE A 5 7.291 3.513 4.162 1.00 0.00 O ATOM 77 CB ILE A 5 5.034 2.292 2.987 1.00 0.00 C ATOM 78 CG1 ILE A 5 3.521 2.083 2.761 1.00 0.00 C ATOM 79 CG2 ILE A 5 5.866 1.238 2.238 1.00 0.00 C ATOM 80 CD1 ILE A 5 3.255 1.045 1.661 1.00 0.00 C ATOM 0 H ILE A 5 4.144 3.937 4.772 1.00 0.00 H new ATOM 0 HA ILE A 5 5.159 1.149 4.793 1.00 0.00 H new ATOM 0 HB ILE A 5 5.307 3.276 2.607 1.00 0.00 H new ATOM 0 HG12 ILE A 5 3.055 1.757 3.691 1.00 0.00 H new ATOM 0 HG13 ILE A 5 3.058 3.031 2.488 1.00 0.00 H new ATOM 0 HG21 ILE A 5 5.666 1.309 1.169 1.00 0.00 H new ATOM 0 HG22 ILE A 5 6.926 1.414 2.421 1.00 0.00 H new ATOM 0 HG23 ILE A 5 5.597 0.243 2.592 1.00 0.00 H new ATOM 0 HD11 ILE A 5 2.180 0.923 1.528 1.00 0.00 H new ATOM 0 HD12 ILE A 5 3.700 1.384 0.725 1.00 0.00 H new ATOM 0 HD13 ILE A 5 3.696 0.090 1.947 1.00 0.00 H new ATOM 92 N ASN A 6 7.423 1.897 5.643 1.00 0.00 N ATOM 93 CA ASN A 6 8.834 2.237 5.967 1.00 0.00 C ATOM 94 C ASN A 6 9.775 1.444 5.056 1.00 0.00 C ATOM 95 O ASN A 6 9.892 0.240 5.167 1.00 0.00 O ATOM 96 CB ASN A 6 9.099 1.879 7.429 1.00 0.00 C ATOM 97 CG ASN A 6 9.021 3.143 8.286 1.00 0.00 C ATOM 98 OD1 ASN A 6 9.932 3.947 8.288 1.00 0.00 O ATOM 99 ND2 ASN A 6 7.964 3.355 9.022 1.00 0.00 N ATOM 0 H ASN A 6 7.036 1.111 6.165 1.00 0.00 H new ATOM 0 HA ASN A 6 9.009 3.302 5.811 1.00 0.00 H new ATOM 0 HB2 ASN A 6 8.368 1.148 7.774 1.00 0.00 H new ATOM 0 HB3 ASN A 6 10.082 1.419 7.529 1.00 0.00 H new ATOM 0 HD21 ASN A 6 7.904 4.195 9.598 1.00 0.00 H new ATOM 0 HD22 ASN A 6 7.198 2.681 9.021 1.00 0.00 H new ATOM 106 N GLY A 7 10.444 2.110 4.152 1.00 0.00 N ATOM 107 CA GLY A 7 11.373 1.392 3.231 1.00 0.00 C ATOM 108 C GLY A 7 12.463 0.684 4.038 1.00 0.00 C ATOM 109 O GLY A 7 12.744 -0.479 3.830 1.00 0.00 O ATOM 0 H GLY A 7 10.387 3.119 4.012 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.820 0.666 2.636 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.825 2.097 2.534 1.00 0.00 H new ATOM 113 N GLU A 8 13.084 1.379 4.953 1.00 0.00 N ATOM 114 CA GLU A 8 14.160 0.752 5.772 1.00 0.00 C ATOM 115 C GLU A 8 13.751 -0.666 6.179 1.00 0.00 C ATOM 116 O GLU A 8 14.586 -1.517 6.414 1.00 0.00 O ATOM 117 CB GLU A 8 14.390 1.589 7.032 1.00 0.00 C ATOM 118 CG GLU A 8 15.789 2.204 6.988 1.00 0.00 C ATOM 119 CD GLU A 8 15.977 3.132 8.189 1.00 0.00 C ATOM 120 OE1 GLU A 8 15.034 3.829 8.527 1.00 0.00 O ATOM 121 OE2 GLU A 8 17.060 3.129 8.751 1.00 0.00 O ATOM 0 H GLU A 8 12.891 2.357 5.169 1.00 0.00 H new ATOM 0 HA GLU A 8 15.076 0.707 5.183 1.00 0.00 H new ATOM 0 HB2 GLU A 8 13.638 2.375 7.102 1.00 0.00 H new ATOM 0 HB3 GLU A 8 14.283 0.966 7.920 1.00 0.00 H new ATOM 0 HG2 GLU A 8 16.544 1.418 7.001 1.00 0.00 H new ATOM 0 HG3 GLU A 8 15.924 2.760 6.060 1.00 0.00 H new ATOM 128 N GLN A 9 12.477 -0.925 6.276 1.00 0.00 N ATOM 129 CA GLN A 9 12.026 -2.285 6.681 1.00 0.00 C ATOM 130 C GLN A 9 11.764 -3.146 5.445 1.00 0.00 C ATOM 131 O GLN A 9 12.192 -4.281 5.368 1.00 0.00 O ATOM 132 CB GLN A 9 10.738 -2.165 7.496 1.00 0.00 C ATOM 133 CG GLN A 9 11.014 -1.364 8.769 1.00 0.00 C ATOM 134 CD GLN A 9 9.703 -1.137 9.523 1.00 0.00 C ATOM 135 OE1 GLN A 9 8.708 -1.961 9.338 1.00 0.00 O flip ATOM 136 NE2 GLN A 9 9.583 -0.201 10.288 1.00 0.00 N flip ATOM 0 H GLN A 9 11.730 -0.255 6.093 1.00 0.00 H new ATOM 0 HA GLN A 9 12.805 -2.755 7.281 1.00 0.00 H new ATOM 0 HB2 GLN A 9 9.965 -1.674 6.905 1.00 0.00 H new ATOM 0 HB3 GLN A 9 10.363 -3.156 7.751 1.00 0.00 H new ATOM 0 HG2 GLN A 9 11.722 -1.899 9.402 1.00 0.00 H new ATOM 0 HG3 GLN A 9 11.472 -0.407 8.517 1.00 0.00 H new ATOM 0 HE21 GLN A 9 10.361 0.443 10.432 1.00 0.00 H new ATOM 0 HE22 GLN A 9 8.704 -0.059 10.786 1.00 0.00 H new ATOM 145 N ILE A 10 11.050 -2.628 4.487 1.00 0.00 N ATOM 146 CA ILE A 10 10.746 -3.433 3.274 1.00 0.00 C ATOM 147 C ILE A 10 11.987 -4.183 2.805 1.00 0.00 C ATOM 148 O ILE A 10 13.031 -3.608 2.567 1.00 0.00 O ATOM 149 CB ILE A 10 10.257 -2.533 2.140 1.00 0.00 C ATOM 150 CG1 ILE A 10 8.882 -1.980 2.493 1.00 0.00 C ATOM 151 CG2 ILE A 10 10.149 -3.361 0.856 1.00 0.00 C ATOM 152 CD1 ILE A 10 7.865 -3.112 2.468 1.00 0.00 C ATOM 0 H ILE A 10 10.664 -1.684 4.491 1.00 0.00 H new ATOM 0 HA ILE A 10 9.965 -4.147 3.536 1.00 0.00 H new ATOM 0 HB ILE A 10 10.958 -1.711 1.995 1.00 0.00 H new ATOM 0 HG12 ILE A 10 8.905 -1.518 3.480 1.00 0.00 H new ATOM 0 HG13 ILE A 10 8.596 -1.203 1.784 1.00 0.00 H new ATOM 0 HG21 ILE A 10 9.800 -2.726 0.042 1.00 0.00 H new ATOM 0 HG22 ILE A 10 11.127 -3.770 0.604 1.00 0.00 H new ATOM 0 HG23 ILE A 10 9.442 -4.177 1.008 1.00 0.00 H new ATOM 0 HD11 ILE A 10 6.879 -2.721 2.720 1.00 0.00 H new ATOM 0 HD12 ILE A 10 7.836 -3.554 1.472 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.150 -3.873 3.194 1.00 0.00 H new ATOM 164 N ARG A 11 11.863 -5.466 2.652 1.00 0.00 N ATOM 165 CA ARG A 11 12.996 -6.285 2.178 1.00 0.00 C ATOM 166 C ARG A 11 12.615 -6.906 0.829 1.00 0.00 C ATOM 167 O ARG A 11 13.372 -7.649 0.237 1.00 0.00 O ATOM 168 CB ARG A 11 13.262 -7.387 3.198 1.00 0.00 C ATOM 169 CG ARG A 11 13.795 -6.766 4.492 1.00 0.00 C ATOM 170 CD ARG A 11 15.253 -7.177 4.701 1.00 0.00 C ATOM 171 NE ARG A 11 16.042 -5.995 5.149 1.00 0.00 N ATOM 172 CZ ARG A 11 17.220 -6.162 5.687 1.00 0.00 C ATOM 173 NH1 ARG A 11 18.133 -6.852 5.060 1.00 0.00 N ATOM 174 NH2 ARG A 11 17.484 -5.636 6.852 1.00 0.00 N ATOM 0 H ARG A 11 11.007 -5.988 2.840 1.00 0.00 H new ATOM 0 HA ARG A 11 13.892 -5.675 2.061 1.00 0.00 H new ATOM 0 HB2 ARG A 11 12.345 -7.941 3.399 1.00 0.00 H new ATOM 0 HB3 ARG A 11 13.984 -8.100 2.800 1.00 0.00 H new ATOM 0 HG2 ARG A 11 13.717 -5.680 4.444 1.00 0.00 H new ATOM 0 HG3 ARG A 11 13.191 -7.092 5.339 1.00 0.00 H new ATOM 0 HD2 ARG A 11 15.315 -7.972 5.444 1.00 0.00 H new ATOM 0 HD3 ARG A 11 15.667 -7.574 3.774 1.00 0.00 H new ATOM 0 HE ARG A 11 15.662 -5.055 5.035 1.00 0.00 H new ATOM 0 HH11 ARG A 11 17.927 -7.261 4.149 1.00 0.00 H new ATOM 0 HH12 ARG A 11 19.053 -6.982 5.481 1.00 0.00 H new ATOM 0 HH21 ARG A 11 16.771 -5.095 7.341 1.00 0.00 H new ATOM 0 HH22 ARG A 11 18.404 -5.766 7.273 1.00 0.00 H new ATOM 188 N SER A 12 11.436 -6.603 0.344 1.00 0.00 N ATOM 189 CA SER A 12 10.987 -7.166 -0.959 1.00 0.00 C ATOM 190 C SER A 12 9.526 -6.765 -1.204 1.00 0.00 C ATOM 191 O SER A 12 8.815 -6.366 -0.296 1.00 0.00 O ATOM 192 CB SER A 12 11.111 -8.693 -0.923 1.00 0.00 C ATOM 193 OG SER A 12 9.870 -9.284 -1.291 1.00 0.00 O ATOM 0 H SER A 12 10.764 -5.986 0.800 1.00 0.00 H new ATOM 0 HA SER A 12 11.608 -6.776 -1.765 1.00 0.00 H new ATOM 0 HB2 SER A 12 11.897 -9.020 -1.604 1.00 0.00 H new ATOM 0 HB3 SER A 12 11.399 -9.021 0.076 1.00 0.00 H new ATOM 0 HG SER A 12 9.953 -10.260 -1.268 1.00 0.00 H new ATOM 199 N ILE A 13 9.068 -6.866 -2.421 1.00 0.00 N ATOM 200 CA ILE A 13 7.658 -6.491 -2.708 1.00 0.00 C ATOM 201 C ILE A 13 6.746 -7.210 -1.714 1.00 0.00 C ATOM 202 O ILE A 13 5.879 -6.610 -1.107 1.00 0.00 O ATOM 203 CB ILE A 13 7.292 -6.899 -4.136 1.00 0.00 C ATOM 204 CG1 ILE A 13 5.924 -6.316 -4.514 1.00 0.00 C ATOM 205 CG2 ILE A 13 7.229 -8.423 -4.226 1.00 0.00 C ATOM 206 CD1 ILE A 13 5.807 -4.869 -4.016 1.00 0.00 C ATOM 0 H ILE A 13 9.607 -7.190 -3.224 1.00 0.00 H new ATOM 0 HA ILE A 13 7.536 -5.412 -2.610 1.00 0.00 H new ATOM 0 HB ILE A 13 8.048 -6.517 -4.821 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.794 -6.347 -5.596 1.00 0.00 H new ATOM 0 HG13 ILE A 13 5.130 -6.923 -4.080 1.00 0.00 H new ATOM 0 HG21 ILE A 13 6.968 -8.717 -5.243 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.200 -8.843 -3.964 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.474 -8.797 -3.535 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.832 -4.467 -4.291 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.916 -4.847 -2.932 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.590 -4.263 -4.471 1.00 0.00 H new ATOM 218 N SER A 14 6.945 -8.487 -1.523 1.00 0.00 N ATOM 219 CA SER A 14 6.100 -9.222 -0.547 1.00 0.00 C ATOM 220 C SER A 14 6.085 -8.419 0.747 1.00 0.00 C ATOM 221 O SER A 14 5.059 -8.230 1.369 1.00 0.00 O ATOM 222 CB SER A 14 6.699 -10.603 -0.286 1.00 0.00 C ATOM 223 OG SER A 14 5.828 -11.342 0.559 1.00 0.00 O ATOM 0 H SER A 14 7.652 -9.047 -1.999 1.00 0.00 H new ATOM 0 HA SER A 14 5.089 -9.348 -0.934 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.846 -11.132 -1.228 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.679 -10.504 0.180 1.00 0.00 H new ATOM 0 HG SER A 14 6.210 -12.229 0.727 1.00 0.00 H new ATOM 229 N ASP A 15 7.227 -7.930 1.141 1.00 0.00 N ATOM 230 CA ASP A 15 7.311 -7.117 2.375 1.00 0.00 C ATOM 231 C ASP A 15 6.365 -5.927 2.245 1.00 0.00 C ATOM 232 O ASP A 15 5.635 -5.593 3.155 1.00 0.00 O ATOM 233 CB ASP A 15 8.739 -6.604 2.545 1.00 0.00 C ATOM 234 CG ASP A 15 9.314 -7.116 3.867 1.00 0.00 C ATOM 235 OD1 ASP A 15 9.612 -8.297 3.942 1.00 0.00 O ATOM 236 OD2 ASP A 15 9.446 -6.319 4.781 1.00 0.00 O ATOM 0 H ASP A 15 8.112 -8.063 0.652 1.00 0.00 H new ATOM 0 HA ASP A 15 7.035 -7.723 3.238 1.00 0.00 H new ATOM 0 HB2 ASP A 15 9.358 -6.940 1.713 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.749 -5.514 2.530 1.00 0.00 H new ATOM 241 N LEU A 16 6.375 -5.289 1.109 1.00 0.00 N ATOM 242 CA LEU A 16 5.479 -4.122 0.895 1.00 0.00 C ATOM 243 C LEU A 16 4.042 -4.533 1.182 1.00 0.00 C ATOM 244 O LEU A 16 3.340 -3.903 1.950 1.00 0.00 O ATOM 245 CB LEU A 16 5.600 -3.670 -0.555 1.00 0.00 C ATOM 246 CG LEU A 16 5.031 -2.261 -0.697 1.00 0.00 C ATOM 247 CD1 LEU A 16 5.738 -1.327 0.287 1.00 0.00 C ATOM 248 CD2 LEU A 16 5.259 -1.767 -2.125 1.00 0.00 C ATOM 0 H LEU A 16 6.969 -5.528 0.315 1.00 0.00 H new ATOM 0 HA LEU A 16 5.761 -3.306 1.561 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.645 -3.685 -0.866 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.063 -4.358 -1.208 1.00 0.00 H new ATOM 0 HG LEU A 16 3.963 -2.272 -0.482 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.333 -0.320 0.187 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.579 -1.683 1.305 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.806 -1.312 0.071 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.854 -0.761 -2.231 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.328 -1.752 -2.339 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.758 -2.435 -2.825 1.00 0.00 H new ATOM 260 N HIS A 17 3.604 -5.591 0.573 1.00 0.00 N ATOM 261 CA HIS A 17 2.220 -6.064 0.800 1.00 0.00 C ATOM 262 C HIS A 17 2.100 -6.589 2.232 1.00 0.00 C ATOM 263 O HIS A 17 1.021 -6.713 2.775 1.00 0.00 O ATOM 264 CB HIS A 17 1.923 -7.172 -0.207 1.00 0.00 C ATOM 265 CG HIS A 17 2.257 -6.675 -1.587 1.00 0.00 C ATOM 266 ND1 HIS A 17 1.517 -5.686 -2.217 1.00 0.00 N ATOM 267 CD2 HIS A 17 3.253 -7.015 -2.469 1.00 0.00 C ATOM 268 CE1 HIS A 17 2.074 -5.467 -3.422 1.00 0.00 C ATOM 269 NE2 HIS A 17 3.134 -6.251 -3.626 1.00 0.00 N ATOM 0 H HIS A 17 4.151 -6.153 -0.079 1.00 0.00 H new ATOM 0 HA HIS A 17 1.504 -5.253 0.667 1.00 0.00 H new ATOM 0 HB2 HIS A 17 2.509 -8.061 0.026 1.00 0.00 H new ATOM 0 HB3 HIS A 17 0.873 -7.459 -0.153 1.00 0.00 H new ATOM 0 HD1 HIS A 17 0.699 -5.211 -1.836 1.00 0.00 H new ATOM 0 HD2 HIS A 17 4.013 -7.762 -2.292 1.00 0.00 H new ATOM 0 HE1 HIS A 17 1.708 -4.745 -4.137 1.00 0.00 H new ATOM 277 N GLN A 18 3.204 -6.886 2.858 1.00 0.00 N ATOM 278 CA GLN A 18 3.150 -7.385 4.250 1.00 0.00 C ATOM 279 C GLN A 18 2.733 -6.240 5.172 1.00 0.00 C ATOM 280 O GLN A 18 1.761 -6.333 5.898 1.00 0.00 O ATOM 281 CB GLN A 18 4.528 -7.903 4.667 1.00 0.00 C ATOM 282 CG GLN A 18 4.472 -8.392 6.115 1.00 0.00 C ATOM 283 CD GLN A 18 5.669 -9.303 6.395 1.00 0.00 C ATOM 284 OE1 GLN A 18 5.510 -10.492 6.589 1.00 0.00 O ATOM 285 NE2 GLN A 18 6.869 -8.792 6.424 1.00 0.00 N ATOM 0 H GLN A 18 4.140 -6.803 2.461 1.00 0.00 H new ATOM 0 HA GLN A 18 2.428 -8.198 4.320 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.837 -8.715 4.009 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.271 -7.112 4.568 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.481 -7.542 6.797 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.542 -8.932 6.292 1.00 0.00 H new ATOM 0 HE21 GLN A 18 7.002 -7.794 6.261 1.00 0.00 H new ATOM 0 HE22 GLN A 18 7.674 -9.391 6.610 1.00 0.00 H new ATOM 294 N THR A 19 3.461 -5.155 5.149 1.00 0.00 N ATOM 295 CA THR A 19 3.104 -4.013 6.021 1.00 0.00 C ATOM 296 C THR A 19 1.749 -3.462 5.562 1.00 0.00 C ATOM 297 O THR A 19 0.929 -3.074 6.361 1.00 0.00 O ATOM 298 CB THR A 19 4.213 -2.936 5.951 1.00 0.00 C ATOM 299 OG1 THR A 19 4.791 -2.791 7.240 1.00 0.00 O ATOM 300 CG2 THR A 19 3.647 -1.577 5.523 1.00 0.00 C ATOM 0 H THR A 19 4.284 -5.016 4.563 1.00 0.00 H new ATOM 0 HA THR A 19 3.022 -4.329 7.061 1.00 0.00 H new ATOM 0 HB THR A 19 4.953 -3.255 5.217 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.497 -2.112 7.208 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.452 -0.843 5.484 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.190 -1.667 4.537 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.896 -1.253 6.243 1.00 0.00 H new ATOM 308 N LEU A 20 1.504 -3.437 4.279 1.00 0.00 N ATOM 309 CA LEU A 20 0.208 -2.933 3.779 1.00 0.00 C ATOM 310 C LEU A 20 -0.902 -3.838 4.308 1.00 0.00 C ATOM 311 O LEU A 20 -1.989 -3.409 4.606 1.00 0.00 O ATOM 312 CB LEU A 20 0.220 -2.983 2.256 1.00 0.00 C ATOM 313 CG LEU A 20 1.184 -1.926 1.718 1.00 0.00 C ATOM 314 CD1 LEU A 20 1.256 -2.031 0.197 1.00 0.00 C ATOM 315 CD2 LEU A 20 0.691 -0.532 2.116 1.00 0.00 C ATOM 0 H LEU A 20 2.155 -3.748 3.558 1.00 0.00 H new ATOM 0 HA LEU A 20 0.041 -1.909 4.112 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.523 -3.973 1.917 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.783 -2.807 1.868 1.00 0.00 H new ATOM 0 HG LEU A 20 2.176 -2.090 2.139 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.943 -1.277 -0.188 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.611 -3.023 -0.083 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.265 -1.868 -0.226 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.379 0.221 1.732 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.301 -0.364 1.697 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.644 -0.459 3.203 1.00 0.00 H new ATOM 327 N LYS A 21 -0.612 -5.094 4.420 1.00 0.00 N ATOM 328 CA LYS A 21 -1.615 -6.071 4.928 1.00 0.00 C ATOM 329 C LYS A 21 -1.865 -5.818 6.413 1.00 0.00 C ATOM 330 O LYS A 21 -2.983 -5.866 6.878 1.00 0.00 O ATOM 331 CB LYS A 21 -1.077 -7.490 4.742 1.00 0.00 C ATOM 332 CG LYS A 21 -2.146 -8.501 5.163 1.00 0.00 C ATOM 333 CD LYS A 21 -1.709 -9.199 6.452 1.00 0.00 C ATOM 334 CE LYS A 21 -1.052 -10.537 6.112 1.00 0.00 C ATOM 335 NZ LYS A 21 -2.105 -11.576 5.930 1.00 0.00 N ATOM 0 H LYS A 21 0.293 -5.498 4.178 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.548 -5.956 4.376 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.799 -7.651 3.700 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.175 -7.629 5.338 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -3.100 -7.996 5.316 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.298 -9.236 4.373 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.010 -8.568 7.000 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.570 -9.359 7.101 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -0.459 -10.442 5.203 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.369 -10.832 6.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.658 -12.486 5.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.653 -11.673 6.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.740 -11.295 5.155 1.00 0.00 H new ATOM 349 N LYS A 22 -0.832 -5.547 7.162 1.00 0.00 N ATOM 350 CA LYS A 22 -1.012 -5.286 8.611 1.00 0.00 C ATOM 351 C LYS A 22 -1.844 -4.019 8.779 1.00 0.00 C ATOM 352 O LYS A 22 -2.892 -4.014 9.394 1.00 0.00 O ATOM 353 CB LYS A 22 0.355 -5.071 9.255 1.00 0.00 C ATOM 354 CG LYS A 22 0.447 -5.873 10.554 1.00 0.00 C ATOM 355 CD LYS A 22 0.859 -4.946 11.699 1.00 0.00 C ATOM 356 CE LYS A 22 0.617 -5.648 13.037 1.00 0.00 C ATOM 357 NZ LYS A 22 1.748 -6.575 13.323 1.00 0.00 N ATOM 0 H LYS A 22 0.131 -5.496 6.829 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.513 -6.131 9.083 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.143 -5.381 8.569 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.508 -4.011 9.459 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.514 -6.337 10.776 1.00 0.00 H new ATOM 0 HG3 LYS A 22 1.173 -6.679 10.445 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.911 -4.677 11.603 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.287 -4.019 11.654 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.526 -4.911 13.835 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.322 -6.201 13.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 1.584 -7.052 14.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.815 -7.285 12.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 2.636 -6.035 13.370 1.00 0.00 H new ATOM 371 N GLU A 23 -1.372 -2.948 8.216 1.00 0.00 N ATOM 372 CA GLU A 23 -2.089 -1.659 8.295 1.00 0.00 C ATOM 373 C GLU A 23 -3.502 -1.850 7.756 1.00 0.00 C ATOM 374 O GLU A 23 -4.482 -1.764 8.469 1.00 0.00 O ATOM 375 CB GLU A 23 -1.342 -0.654 7.419 1.00 0.00 C ATOM 376 CG GLU A 23 0.066 -0.433 7.978 1.00 0.00 C ATOM 377 CD GLU A 23 0.961 0.158 6.888 1.00 0.00 C ATOM 378 OE1 GLU A 23 0.446 0.460 5.824 1.00 0.00 O ATOM 379 OE2 GLU A 23 2.148 0.297 7.135 1.00 0.00 O ATOM 0 H GLU A 23 -0.497 -2.915 7.692 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.139 -1.302 9.324 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.284 -1.022 6.395 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.885 0.291 7.388 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.027 0.239 8.835 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.481 -1.377 8.332 1.00 0.00 H new ATOM 386 N LEU A 24 -3.592 -2.120 6.490 1.00 0.00 N ATOM 387 CA LEU A 24 -4.906 -2.340 5.840 1.00 0.00 C ATOM 388 C LEU A 24 -5.615 -3.526 6.493 1.00 0.00 C ATOM 389 O LEU A 24 -6.785 -3.760 6.265 1.00 0.00 O ATOM 390 CB LEU A 24 -4.661 -2.663 4.367 1.00 0.00 C ATOM 391 CG LEU A 24 -3.960 -1.488 3.689 1.00 0.00 C ATOM 392 CD1 LEU A 24 -2.938 -2.025 2.685 1.00 0.00 C ATOM 393 CD2 LEU A 24 -4.993 -0.628 2.958 1.00 0.00 C ATOM 0 H LEU A 24 -2.791 -2.199 5.864 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.525 -1.449 5.944 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.051 -3.562 4.279 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.608 -2.870 3.868 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.453 -0.881 4.439 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.434 -1.191 2.197 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.203 -2.638 3.207 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.448 -2.629 1.935 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.492 0.210 2.474 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.501 -1.231 2.205 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.724 -0.250 3.673 1.00 0.00 H new ATOM 405 N ALA A 25 -4.917 -4.292 7.286 1.00 0.00 N ATOM 406 CA ALA A 25 -5.559 -5.469 7.920 1.00 0.00 C ATOM 407 C ALA A 25 -6.260 -6.283 6.832 1.00 0.00 C ATOM 408 O ALA A 25 -7.408 -6.660 6.959 1.00 0.00 O ATOM 409 CB ALA A 25 -6.568 -4.985 8.953 1.00 0.00 C ATOM 0 H ALA A 25 -3.934 -4.152 7.519 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.817 -6.094 8.417 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.046 -5.844 9.425 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -6.057 -4.392 9.711 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.325 -4.373 8.463 1.00 0.00 H new ATOM 415 N LEU A 26 -5.567 -6.545 5.756 1.00 0.00 N ATOM 416 CA LEU A 26 -6.169 -7.322 4.639 1.00 0.00 C ATOM 417 C LEU A 26 -6.460 -8.754 5.103 1.00 0.00 C ATOM 418 O LEU A 26 -5.903 -9.210 6.082 1.00 0.00 O ATOM 419 CB LEU A 26 -5.182 -7.335 3.468 1.00 0.00 C ATOM 420 CG LEU A 26 -4.746 -5.898 3.175 1.00 0.00 C ATOM 421 CD1 LEU A 26 -3.726 -5.886 2.046 1.00 0.00 C ATOM 422 CD2 LEU A 26 -5.964 -5.065 2.771 1.00 0.00 C ATOM 0 H LEU A 26 -4.602 -6.251 5.604 1.00 0.00 H new ATOM 0 HA LEU A 26 -7.106 -6.864 4.324 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.316 -7.950 3.711 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.648 -7.775 2.586 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.294 -5.472 4.071 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.420 -4.860 1.843 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.855 -6.473 2.336 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.171 -6.316 1.149 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.652 -4.042 2.563 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.419 -5.495 1.878 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.690 -5.064 3.584 1.00 0.00 H new ATOM 434 N PRO A 27 -7.336 -9.417 4.388 1.00 0.00 N ATOM 435 CA PRO A 27 -7.732 -10.800 4.707 1.00 0.00 C ATOM 436 C PRO A 27 -6.509 -11.699 4.895 1.00 0.00 C ATOM 437 O PRO A 27 -5.379 -11.256 4.839 1.00 0.00 O ATOM 438 CB PRO A 27 -8.546 -11.257 3.496 1.00 0.00 C ATOM 439 CG PRO A 27 -8.819 -10.010 2.618 1.00 0.00 C ATOM 440 CD PRO A 27 -8.000 -8.848 3.199 1.00 0.00 C ATOM 0 HA PRO A 27 -8.296 -10.855 5.638 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -8.000 -12.012 2.930 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -9.483 -11.714 3.815 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -8.534 -10.200 1.583 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -9.882 -9.767 2.617 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -7.272 -8.477 2.478 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -8.640 -8.007 3.467 1.00 0.00 H new ATOM 448 N GLU A 28 -6.737 -12.965 5.115 1.00 0.00 N ATOM 449 CA GLU A 28 -5.604 -13.909 5.306 1.00 0.00 C ATOM 450 C GLU A 28 -5.048 -14.314 3.942 1.00 0.00 C ATOM 451 O GLU A 28 -3.892 -14.667 3.813 1.00 0.00 O ATOM 452 CB GLU A 28 -6.099 -15.156 6.042 1.00 0.00 C ATOM 453 CG GLU A 28 -6.131 -14.885 7.547 1.00 0.00 C ATOM 454 CD GLU A 28 -5.374 -15.993 8.281 1.00 0.00 C ATOM 455 OE1 GLU A 28 -4.154 -15.973 8.247 1.00 0.00 O ATOM 456 OE2 GLU A 28 -6.026 -16.843 8.864 1.00 0.00 O ATOM 0 H GLU A 28 -7.664 -13.386 5.171 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.822 -13.426 5.892 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.094 -15.427 5.690 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.444 -16.001 5.828 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.679 -13.917 7.763 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.162 -14.841 7.897 1.00 0.00 H new ATOM 463 N TYR A 29 -5.859 -14.268 2.918 1.00 0.00 N ATOM 464 CA TYR A 29 -5.359 -14.654 1.570 1.00 0.00 C ATOM 465 C TYR A 29 -4.898 -13.408 0.812 1.00 0.00 C ATOM 466 O TYR A 29 -4.834 -13.406 -0.402 1.00 0.00 O ATOM 467 CB TYR A 29 -6.456 -15.370 0.769 1.00 0.00 C ATOM 468 CG TYR A 29 -7.822 -14.853 1.155 1.00 0.00 C ATOM 469 CD1 TYR A 29 -8.108 -13.485 1.071 1.00 0.00 C ATOM 470 CD2 TYR A 29 -8.807 -15.748 1.590 1.00 0.00 C ATOM 471 CE1 TYR A 29 -9.380 -13.013 1.422 1.00 0.00 C ATOM 472 CE2 TYR A 29 -10.078 -15.276 1.940 1.00 0.00 C ATOM 473 CZ TYR A 29 -10.364 -13.909 1.857 1.00 0.00 C ATOM 474 OH TYR A 29 -11.617 -13.443 2.201 1.00 0.00 O ATOM 0 H TYR A 29 -6.837 -13.982 2.957 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.518 -15.336 1.695 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -6.292 -15.218 -0.298 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -6.403 -16.444 0.950 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -7.349 -12.794 0.736 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -8.586 -16.803 1.656 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -9.601 -11.958 1.357 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -10.838 -15.967 2.274 1.00 0.00 H new ATOM 0 HH TYR A 29 -12.180 -14.195 2.480 1.00 0.00 H new ATOM 484 N TYR A 30 -4.570 -12.352 1.517 1.00 0.00 N ATOM 485 CA TYR A 30 -4.098 -11.109 0.831 1.00 0.00 C ATOM 486 C TYR A 30 -3.181 -11.498 -0.330 1.00 0.00 C ATOM 487 O TYR A 30 -2.028 -11.826 -0.139 1.00 0.00 O ATOM 488 CB TYR A 30 -3.320 -10.234 1.825 1.00 0.00 C ATOM 489 CG TYR A 30 -2.834 -8.977 1.132 1.00 0.00 C ATOM 490 CD1 TYR A 30 -3.594 -8.406 0.106 1.00 0.00 C ATOM 491 CD2 TYR A 30 -1.621 -8.381 1.516 1.00 0.00 C ATOM 492 CE1 TYR A 30 -3.148 -7.244 -0.537 1.00 0.00 C ATOM 493 CE2 TYR A 30 -1.173 -7.215 0.872 1.00 0.00 C ATOM 494 CZ TYR A 30 -1.938 -6.650 -0.155 1.00 0.00 C ATOM 495 OH TYR A 30 -1.501 -5.506 -0.791 1.00 0.00 O ATOM 0 H TYR A 30 -4.609 -12.297 2.535 1.00 0.00 H new ATOM 0 HA TYR A 30 -4.955 -10.550 0.455 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -3.958 -9.971 2.669 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -2.473 -10.790 2.227 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.527 -8.862 -0.191 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.032 -8.820 2.308 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -3.738 -6.805 -1.328 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -0.241 -6.756 1.169 1.00 0.00 H new ATOM 0 HH TYR A 30 -0.788 -5.090 -0.263 1.00 0.00 H new ATOM 505 N GLY A 31 -3.690 -11.482 -1.531 1.00 0.00 N ATOM 506 CA GLY A 31 -2.853 -11.867 -2.703 1.00 0.00 C ATOM 507 C GLY A 31 -1.613 -10.975 -2.771 1.00 0.00 C ATOM 508 O GLY A 31 -0.602 -11.351 -3.326 1.00 0.00 O ATOM 0 H GLY A 31 -4.650 -11.219 -1.752 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.556 -12.912 -2.621 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.432 -11.771 -3.622 1.00 0.00 H new ATOM 512 N GLU A 32 -1.693 -9.792 -2.217 1.00 0.00 N ATOM 513 CA GLU A 32 -0.531 -8.850 -2.239 1.00 0.00 C ATOM 514 C GLU A 32 -0.323 -8.281 -3.648 1.00 0.00 C ATOM 515 O GLU A 32 0.487 -7.403 -3.848 1.00 0.00 O ATOM 516 CB GLU A 32 0.746 -9.570 -1.784 1.00 0.00 C ATOM 517 CG GLU A 32 0.576 -10.056 -0.344 1.00 0.00 C ATOM 518 CD GLU A 32 1.769 -10.930 0.046 1.00 0.00 C ATOM 519 OE1 GLU A 32 1.930 -11.980 -0.554 1.00 0.00 O ATOM 520 OE2 GLU A 32 2.502 -10.534 0.937 1.00 0.00 O ATOM 0 H GLU A 32 -2.523 -9.434 -1.745 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.746 -8.030 -1.554 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.953 -10.414 -2.441 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.600 -8.896 -1.852 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.500 -9.204 0.332 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.350 -10.623 -0.248 1.00 0.00 H new ATOM 527 N ASN A 33 -1.041 -8.758 -4.626 1.00 0.00 N ATOM 528 CA ASN A 33 -0.860 -8.213 -6.003 1.00 0.00 C ATOM 529 C ASN A 33 -1.673 -6.926 -6.160 1.00 0.00 C ATOM 530 O ASN A 33 -2.298 -6.455 -5.233 1.00 0.00 O ATOM 531 CB ASN A 33 -1.301 -9.244 -7.054 1.00 0.00 C ATOM 532 CG ASN A 33 -2.508 -10.045 -6.556 1.00 0.00 C ATOM 533 OD1 ASN A 33 -3.632 -9.750 -6.905 1.00 0.00 O ATOM 534 ND2 ASN A 33 -2.321 -11.062 -5.760 1.00 0.00 N ATOM 0 H ASN A 33 -1.740 -9.495 -4.535 1.00 0.00 H new ATOM 0 HA ASN A 33 0.197 -7.994 -6.157 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -1.555 -8.736 -7.984 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -0.476 -9.921 -7.275 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -3.119 -11.607 -5.433 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -1.377 -11.312 -5.465 1.00 0.00 H new ATOM 541 N LEU A 34 -1.670 -6.359 -7.334 1.00 0.00 N ATOM 542 CA LEU A 34 -2.443 -5.105 -7.575 1.00 0.00 C ATOM 543 C LEU A 34 -3.931 -5.430 -7.574 1.00 0.00 C ATOM 544 O LEU A 34 -4.751 -4.702 -7.062 1.00 0.00 O ATOM 545 CB LEU A 34 -2.078 -4.567 -8.951 1.00 0.00 C ATOM 546 CG LEU A 34 -0.586 -4.248 -9.000 1.00 0.00 C ATOM 547 CD1 LEU A 34 -0.143 -4.092 -10.456 1.00 0.00 C ATOM 548 CD2 LEU A 34 -0.328 -2.945 -8.246 1.00 0.00 C ATOM 0 H LEU A 34 -1.161 -6.712 -8.144 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.214 -4.374 -6.800 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.328 -5.301 -9.717 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.659 -3.670 -9.167 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.022 -5.058 -8.537 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.922 -3.864 -10.490 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.333 -5.020 -10.996 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.702 -3.281 -10.922 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.736 -2.711 -8.277 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.891 -2.137 -8.713 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.645 -3.056 -7.209 1.00 0.00 H new ATOM 560 N ASP A 35 -4.264 -6.519 -8.180 1.00 0.00 N ATOM 561 CA ASP A 35 -5.682 -6.957 -8.278 1.00 0.00 C ATOM 562 C ASP A 35 -6.252 -7.260 -6.894 1.00 0.00 C ATOM 563 O ASP A 35 -7.409 -7.015 -6.622 1.00 0.00 O ATOM 564 CB ASP A 35 -5.720 -8.239 -9.091 1.00 0.00 C ATOM 565 CG ASP A 35 -5.444 -7.927 -10.564 1.00 0.00 C ATOM 566 OD1 ASP A 35 -5.465 -6.759 -10.916 1.00 0.00 O ATOM 567 OD2 ASP A 35 -5.215 -8.862 -11.314 1.00 0.00 O ATOM 0 H ASP A 35 -3.597 -7.148 -8.627 1.00 0.00 H new ATOM 0 HA ASP A 35 -6.270 -6.164 -8.741 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -4.978 -8.942 -8.713 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -6.694 -8.717 -8.987 1.00 0.00 H new ATOM 572 N ALA A 36 -5.455 -7.809 -6.024 1.00 0.00 N ATOM 573 CA ALA A 36 -5.963 -8.144 -4.663 1.00 0.00 C ATOM 574 C ALA A 36 -5.942 -6.890 -3.815 1.00 0.00 C ATOM 575 O ALA A 36 -6.948 -6.452 -3.300 1.00 0.00 O ATOM 576 CB ALA A 36 -5.073 -9.196 -4.011 1.00 0.00 C ATOM 0 H ALA A 36 -4.476 -8.041 -6.193 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.977 -8.536 -4.744 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.455 -9.431 -3.018 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.070 -10.099 -4.622 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.057 -8.811 -3.927 1.00 0.00 H new ATOM 582 N LEU A 37 -4.792 -6.304 -3.688 1.00 0.00 N ATOM 583 CA LEU A 37 -4.672 -5.056 -2.897 1.00 0.00 C ATOM 584 C LEU A 37 -5.831 -4.150 -3.291 1.00 0.00 C ATOM 585 O LEU A 37 -6.583 -3.649 -2.470 1.00 0.00 O ATOM 586 CB LEU A 37 -3.348 -4.379 -3.254 1.00 0.00 C ATOM 587 CG LEU A 37 -3.402 -2.904 -2.853 1.00 0.00 C ATOM 588 CD1 LEU A 37 -3.506 -2.791 -1.331 1.00 0.00 C ATOM 589 CD2 LEU A 37 -2.133 -2.195 -3.333 1.00 0.00 C ATOM 0 H LEU A 37 -3.922 -6.639 -4.102 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.697 -5.260 -1.827 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.524 -4.876 -2.742 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.159 -4.469 -4.324 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.273 -2.436 -3.312 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.544 -1.740 -1.046 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.412 -3.293 -0.990 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.636 -3.260 -0.871 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.173 -1.144 -3.047 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.260 -2.663 -2.877 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.061 -2.273 -4.418 1.00 0.00 H new ATOM 601 N TRP A 38 -5.978 -3.956 -4.561 1.00 0.00 N ATOM 602 CA TRP A 38 -7.073 -3.117 -5.062 1.00 0.00 C ATOM 603 C TRP A 38 -8.379 -3.711 -4.598 1.00 0.00 C ATOM 604 O TRP A 38 -9.180 -3.069 -3.962 1.00 0.00 O ATOM 605 CB TRP A 38 -7.072 -3.115 -6.584 1.00 0.00 C ATOM 606 CG TRP A 38 -8.220 -2.290 -7.036 1.00 0.00 C ATOM 607 CD1 TRP A 38 -9.475 -2.738 -7.211 1.00 0.00 C ATOM 608 CD2 TRP A 38 -8.241 -0.879 -7.332 1.00 0.00 C ATOM 609 NE1 TRP A 38 -10.275 -1.680 -7.612 1.00 0.00 N ATOM 610 CE2 TRP A 38 -9.551 -0.507 -7.699 1.00 0.00 C ATOM 611 CE3 TRP A 38 -7.250 0.101 -7.318 1.00 0.00 C ATOM 612 CZ2 TRP A 38 -9.862 0.808 -8.041 1.00 0.00 C ATOM 613 CZ3 TRP A 38 -7.547 1.415 -7.652 1.00 0.00 C ATOM 614 CH2 TRP A 38 -8.853 1.779 -8.015 1.00 0.00 C ATOM 0 H TRP A 38 -5.374 -4.352 -5.281 1.00 0.00 H new ATOM 0 HA TRP A 38 -6.947 -2.100 -4.692 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -6.135 -2.708 -6.965 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -7.157 -4.132 -6.968 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -9.806 -3.755 -7.063 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -11.271 -1.758 -7.817 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -6.240 -0.165 -7.044 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -10.870 1.075 -8.323 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -6.768 2.163 -7.632 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -9.079 2.803 -8.273 1.00 0.00 H new ATOM 625 N ASP A 39 -8.586 -4.945 -4.920 1.00 0.00 N ATOM 626 CA ASP A 39 -9.838 -5.621 -4.508 1.00 0.00 C ATOM 627 C ASP A 39 -10.129 -5.263 -3.054 1.00 0.00 C ATOM 628 O ASP A 39 -11.263 -5.259 -2.618 1.00 0.00 O ATOM 629 CB ASP A 39 -9.670 -7.134 -4.642 1.00 0.00 C ATOM 630 CG ASP A 39 -10.249 -7.597 -5.981 1.00 0.00 C ATOM 631 OD1 ASP A 39 -11.257 -7.046 -6.390 1.00 0.00 O ATOM 632 OD2 ASP A 39 -9.674 -8.494 -6.573 1.00 0.00 O ATOM 0 H ASP A 39 -7.938 -5.522 -5.456 1.00 0.00 H new ATOM 0 HA ASP A 39 -10.664 -5.298 -5.142 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.615 -7.400 -4.579 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -10.176 -7.641 -3.820 1.00 0.00 H new ATOM 637 N CYS A 40 -9.108 -4.958 -2.300 1.00 0.00 N ATOM 638 CA CYS A 40 -9.321 -4.597 -0.877 1.00 0.00 C ATOM 639 C CYS A 40 -9.753 -3.130 -0.767 1.00 0.00 C ATOM 640 O CYS A 40 -10.703 -2.809 -0.082 1.00 0.00 O ATOM 641 CB CYS A 40 -8.021 -4.811 -0.104 1.00 0.00 C ATOM 642 SG CYS A 40 -7.666 -6.583 -0.001 1.00 0.00 S ATOM 0 H CYS A 40 -8.137 -4.944 -2.612 1.00 0.00 H new ATOM 0 HA CYS A 40 -10.105 -5.228 -0.458 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -7.201 -4.293 -0.601 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -8.106 -4.387 0.897 1.00 0.00 H new ATOM 0 HG CYS A 40 -7.310 -7.023 -1.171 1.00 0.00 H new ATOM 648 N LEU A 41 -9.058 -2.230 -1.418 1.00 0.00 N ATOM 649 CA LEU A 41 -9.430 -0.796 -1.320 1.00 0.00 C ATOM 650 C LEU A 41 -10.829 -0.550 -1.899 1.00 0.00 C ATOM 651 O LEU A 41 -11.508 0.385 -1.521 1.00 0.00 O ATOM 652 CB LEU A 41 -8.421 0.037 -2.104 1.00 0.00 C ATOM 653 CG LEU A 41 -6.997 -0.367 -1.724 1.00 0.00 C ATOM 654 CD1 LEU A 41 -6.017 0.437 -2.569 1.00 0.00 C ATOM 655 CD2 LEU A 41 -6.755 -0.076 -0.242 1.00 0.00 C ATOM 0 H LEU A 41 -8.252 -2.431 -2.010 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.430 -0.511 -0.268 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.574 -0.105 -3.174 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.574 1.096 -1.898 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.856 -1.433 -1.904 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.996 0.158 -2.307 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.191 0.229 -3.625 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.162 1.501 -2.381 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.739 -0.366 0.024 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.890 0.989 -0.054 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.464 -0.644 0.361 1.00 0.00 H new ATOM 667 N THR A 42 -11.256 -1.359 -2.827 1.00 0.00 N ATOM 668 CA THR A 42 -12.586 -1.153 -3.443 1.00 0.00 C ATOM 669 C THR A 42 -13.627 -2.060 -2.782 1.00 0.00 C ATOM 670 O THR A 42 -14.669 -2.328 -3.346 1.00 0.00 O ATOM 671 CB THR A 42 -12.503 -1.470 -4.939 1.00 0.00 C ATOM 672 OG1 THR A 42 -11.949 -2.766 -5.116 1.00 0.00 O ATOM 673 CG2 THR A 42 -11.616 -0.433 -5.634 1.00 0.00 C ATOM 0 H THR A 42 -10.733 -2.159 -3.185 1.00 0.00 H new ATOM 0 HA THR A 42 -12.887 -0.115 -3.301 1.00 0.00 H new ATOM 0 HB THR A 42 -13.502 -1.439 -5.374 1.00 0.00 H new ATOM 0 HG1 THR A 42 -11.228 -2.726 -5.778 1.00 0.00 H new ATOM 0 HG21 THR A 42 -11.557 -0.659 -6.699 1.00 0.00 H new ATOM 0 HG22 THR A 42 -12.042 0.561 -5.497 1.00 0.00 H new ATOM 0 HG23 THR A 42 -10.616 -0.461 -5.202 1.00 0.00 H new ATOM 681 N GLY A 43 -13.365 -2.533 -1.593 1.00 0.00 N ATOM 682 CA GLY A 43 -14.361 -3.415 -0.919 1.00 0.00 C ATOM 683 C GLY A 43 -13.735 -4.087 0.305 1.00 0.00 C ATOM 684 O GLY A 43 -13.919 -5.266 0.535 1.00 0.00 O ATOM 0 H GLY A 43 -12.513 -2.349 -1.063 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -15.229 -2.829 -0.616 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -14.716 -4.174 -1.617 1.00 0.00 H new ATOM 688 N TRP A 44 -13.002 -3.354 1.098 1.00 0.00 N ATOM 689 CA TRP A 44 -12.379 -3.966 2.305 1.00 0.00 C ATOM 690 C TRP A 44 -11.789 -2.870 3.193 1.00 0.00 C ATOM 691 O TRP A 44 -12.299 -2.575 4.256 1.00 0.00 O ATOM 692 CB TRP A 44 -11.269 -4.924 1.872 1.00 0.00 C ATOM 693 CG TRP A 44 -10.630 -5.524 3.082 1.00 0.00 C ATOM 694 CD1 TRP A 44 -9.528 -5.039 3.700 1.00 0.00 C ATOM 695 CD2 TRP A 44 -11.031 -6.708 3.831 1.00 0.00 C ATOM 696 NE1 TRP A 44 -9.228 -5.849 4.780 1.00 0.00 N ATOM 697 CE2 TRP A 44 -10.125 -6.891 4.903 1.00 0.00 C ATOM 698 CE3 TRP A 44 -12.082 -7.632 3.687 1.00 0.00 C ATOM 699 CZ2 TRP A 44 -10.257 -7.953 5.799 1.00 0.00 C ATOM 700 CZ3 TRP A 44 -12.218 -8.701 4.587 1.00 0.00 C ATOM 701 CH2 TRP A 44 -11.307 -8.861 5.641 1.00 0.00 C ATOM 0 H TRP A 44 -12.808 -2.362 0.963 1.00 0.00 H new ATOM 0 HA TRP A 44 -13.137 -4.513 2.865 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -11.679 -5.709 1.237 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -10.524 -4.391 1.280 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -8.973 -4.163 3.399 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -8.440 -5.695 5.409 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -12.789 -7.518 2.879 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -9.552 -8.072 6.609 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -13.029 -9.404 4.467 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -11.417 -9.685 6.330 1.00 0.00 H new ATOM 712 N VAL A 45 -10.713 -2.270 2.768 1.00 0.00 N ATOM 713 CA VAL A 45 -10.079 -1.200 3.583 1.00 0.00 C ATOM 714 C VAL A 45 -11.124 -0.148 3.964 1.00 0.00 C ATOM 715 O VAL A 45 -12.007 0.172 3.193 1.00 0.00 O ATOM 716 CB VAL A 45 -8.963 -0.540 2.772 1.00 0.00 C ATOM 717 CG1 VAL A 45 -8.148 0.382 3.680 1.00 0.00 C ATOM 718 CG2 VAL A 45 -8.049 -1.621 2.192 1.00 0.00 C ATOM 0 H VAL A 45 -10.244 -2.477 1.886 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.664 -1.637 4.491 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.399 0.043 1.961 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.353 0.852 3.102 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -8.799 1.152 4.095 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.711 -0.200 4.491 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.253 -1.152 1.614 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.613 -2.203 3.004 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.629 -2.279 1.545 1.00 0.00 H new ATOM 728 N GLU A 46 -11.025 0.397 5.146 1.00 0.00 N ATOM 729 CA GLU A 46 -12.007 1.433 5.574 1.00 0.00 C ATOM 730 C GLU A 46 -11.404 2.822 5.353 1.00 0.00 C ATOM 731 O GLU A 46 -10.248 3.061 5.640 1.00 0.00 O ATOM 732 CB GLU A 46 -12.340 1.246 7.055 1.00 0.00 C ATOM 733 CG GLU A 46 -11.082 1.472 7.896 1.00 0.00 C ATOM 734 CD GLU A 46 -11.284 0.867 9.286 1.00 0.00 C ATOM 735 OE1 GLU A 46 -12.416 0.555 9.616 1.00 0.00 O ATOM 736 OE2 GLU A 46 -10.303 0.727 9.997 1.00 0.00 O ATOM 0 H GLU A 46 -10.307 0.170 5.833 1.00 0.00 H new ATOM 0 HA GLU A 46 -12.920 1.334 4.987 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -13.120 1.946 7.354 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -12.729 0.242 7.227 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.220 1.015 7.410 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.873 2.539 7.978 1.00 0.00 H new ATOM 743 N TYR A 47 -12.178 3.736 4.835 1.00 0.00 N ATOM 744 CA TYR A 47 -11.657 5.110 4.580 1.00 0.00 C ATOM 745 C TYR A 47 -12.505 6.118 5.365 1.00 0.00 C ATOM 746 O TYR A 47 -13.534 5.753 5.896 1.00 0.00 O ATOM 747 CB TYR A 47 -11.740 5.376 3.071 1.00 0.00 C ATOM 748 CG TYR A 47 -10.725 4.514 2.347 1.00 0.00 C ATOM 749 CD1 TYR A 47 -9.616 3.997 3.031 1.00 0.00 C ATOM 750 CD2 TYR A 47 -10.893 4.228 0.989 1.00 0.00 C ATOM 751 CE1 TYR A 47 -8.688 3.198 2.360 1.00 0.00 C ATOM 752 CE2 TYR A 47 -9.959 3.432 0.321 1.00 0.00 C ATOM 753 CZ TYR A 47 -8.857 2.916 1.007 1.00 0.00 C ATOM 754 OH TYR A 47 -7.941 2.120 0.352 1.00 0.00 O ATOM 0 H TYR A 47 -13.154 3.590 4.576 1.00 0.00 H new ATOM 0 HA TYR A 47 -10.621 5.208 4.905 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -12.744 5.157 2.707 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -11.550 6.430 2.866 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -9.479 4.217 4.079 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -11.745 4.623 0.456 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -7.837 2.798 2.892 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -10.089 3.215 -0.729 1.00 0.00 H new ATOM 0 HH TYR A 47 -7.041 2.311 0.690 1.00 0.00 H new ATOM 764 N PRO A 48 -12.059 7.358 5.445 1.00 0.00 N ATOM 765 CA PRO A 48 -10.806 7.851 4.811 1.00 0.00 C ATOM 766 C PRO A 48 -9.562 7.124 5.335 1.00 0.00 C ATOM 767 O PRO A 48 -9.476 6.767 6.493 1.00 0.00 O ATOM 768 CB PRO A 48 -10.734 9.336 5.196 1.00 0.00 C ATOM 769 CG PRO A 48 -11.979 9.666 6.055 1.00 0.00 C ATOM 770 CD PRO A 48 -12.804 8.381 6.199 1.00 0.00 C ATOM 0 HA PRO A 48 -10.823 7.680 3.735 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -9.820 9.542 5.754 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -10.710 9.961 4.303 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -11.679 10.039 7.034 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -12.572 10.450 5.583 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -12.912 8.098 7.246 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -13.809 8.511 5.798 1.00 0.00 H new ATOM 778 N LEU A 49 -8.591 6.916 4.480 1.00 0.00 N ATOM 779 CA LEU A 49 -7.340 6.227 4.910 1.00 0.00 C ATOM 780 C LEU A 49 -6.141 7.125 4.615 1.00 0.00 C ATOM 781 O LEU A 49 -6.159 7.930 3.706 1.00 0.00 O ATOM 782 CB LEU A 49 -7.182 4.912 4.120 1.00 0.00 C ATOM 783 CG LEU A 49 -5.702 4.495 4.028 1.00 0.00 C ATOM 784 CD1 LEU A 49 -5.203 4.034 5.401 1.00 0.00 C ATOM 785 CD2 LEU A 49 -5.555 3.351 3.021 1.00 0.00 C ATOM 0 H LEU A 49 -8.613 7.196 3.499 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.393 6.015 5.978 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.756 4.122 4.604 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.591 5.035 3.117 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.110 5.349 3.700 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.156 3.741 5.328 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.302 4.850 6.117 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.796 3.183 5.737 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.508 3.056 2.956 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.152 2.500 3.348 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.900 3.682 2.042 1.00 0.00 H new ATOM 797 N VAL A 50 -5.081 6.948 5.346 1.00 0.00 N ATOM 798 CA VAL A 50 -3.856 7.739 5.076 1.00 0.00 C ATOM 799 C VAL A 50 -2.777 6.754 4.622 1.00 0.00 C ATOM 800 O VAL A 50 -2.619 5.698 5.192 1.00 0.00 O ATOM 801 CB VAL A 50 -3.412 8.486 6.356 1.00 0.00 C ATOM 802 CG1 VAL A 50 -1.993 8.069 6.773 1.00 0.00 C ATOM 803 CG2 VAL A 50 -3.420 9.991 6.091 1.00 0.00 C ATOM 0 H VAL A 50 -5.011 6.288 6.120 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.036 8.489 4.306 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.106 8.233 7.158 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.706 8.609 7.675 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.972 6.997 6.969 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.294 8.305 5.971 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.108 10.521 6.991 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.732 10.221 5.277 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.426 10.307 5.815 1.00 0.00 H new ATOM 813 N LEU A 51 -2.016 7.087 3.630 1.00 0.00 N ATOM 814 CA LEU A 51 -0.945 6.156 3.204 1.00 0.00 C ATOM 815 C LEU A 51 0.380 6.893 3.308 1.00 0.00 C ATOM 816 O LEU A 51 0.891 7.429 2.344 1.00 0.00 O ATOM 817 CB LEU A 51 -1.165 5.668 1.770 1.00 0.00 C ATOM 818 CG LEU A 51 -0.077 4.642 1.433 1.00 0.00 C ATOM 819 CD1 LEU A 51 -0.331 3.356 2.214 1.00 0.00 C ATOM 820 CD2 LEU A 51 -0.098 4.315 -0.056 1.00 0.00 C ATOM 0 H LEU A 51 -2.085 7.955 3.098 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.951 5.276 3.847 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.153 5.219 1.670 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.124 6.506 1.074 1.00 0.00 H new ATOM 0 HG LEU A 51 0.892 5.064 1.700 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.442 2.626 1.975 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.310 3.569 3.283 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.307 2.953 1.943 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.680 3.585 -0.279 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.070 3.902 -0.324 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.081 5.224 -0.631 1.00 0.00 H new ATOM 832 N GLU A 52 0.931 6.929 4.483 1.00 0.00 N ATOM 833 CA GLU A 52 2.217 7.634 4.682 1.00 0.00 C ATOM 834 C GLU A 52 3.336 6.749 4.147 1.00 0.00 C ATOM 835 O GLU A 52 3.973 6.008 4.871 1.00 0.00 O ATOM 836 CB GLU A 52 2.412 7.899 6.175 1.00 0.00 C ATOM 837 CG GLU A 52 3.854 8.340 6.436 1.00 0.00 C ATOM 838 CD GLU A 52 3.853 9.615 7.282 1.00 0.00 C ATOM 839 OE1 GLU A 52 3.495 10.654 6.752 1.00 0.00 O ATOM 840 OE2 GLU A 52 4.209 9.530 8.446 1.00 0.00 O ATOM 0 H GLU A 52 0.541 6.496 5.320 1.00 0.00 H new ATOM 0 HA GLU A 52 2.225 8.587 4.153 1.00 0.00 H new ATOM 0 HB2 GLU A 52 1.719 8.670 6.511 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.188 6.998 6.746 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.400 7.549 6.951 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.368 8.518 5.491 1.00 0.00 H new ATOM 847 N TRP A 53 3.559 6.817 2.865 1.00 0.00 N ATOM 848 CA TRP A 53 4.615 5.984 2.239 1.00 0.00 C ATOM 849 C TRP A 53 5.980 6.636 2.469 1.00 0.00 C ATOM 850 O TRP A 53 6.343 7.583 1.803 1.00 0.00 O ATOM 851 CB TRP A 53 4.340 5.882 0.740 1.00 0.00 C ATOM 852 CG TRP A 53 4.919 4.613 0.216 1.00 0.00 C ATOM 853 CD1 TRP A 53 6.219 4.256 0.319 1.00 0.00 C ATOM 854 CD2 TRP A 53 4.249 3.527 -0.488 1.00 0.00 C ATOM 855 NE1 TRP A 53 6.392 3.025 -0.282 1.00 0.00 N ATOM 856 CE2 TRP A 53 5.208 2.535 -0.794 1.00 0.00 C ATOM 857 CE3 TRP A 53 2.916 3.307 -0.890 1.00 0.00 C ATOM 858 CZ2 TRP A 53 4.863 1.371 -1.473 1.00 0.00 C ATOM 859 CZ3 TRP A 53 2.566 2.130 -1.576 1.00 0.00 C ATOM 860 CH2 TRP A 53 3.540 1.166 -1.867 1.00 0.00 C ATOM 0 H TRP A 53 3.049 7.421 2.220 1.00 0.00 H new ATOM 0 HA TRP A 53 4.615 4.988 2.682 1.00 0.00 H new ATOM 0 HB2 TRP A 53 3.266 5.909 0.553 1.00 0.00 H new ATOM 0 HB3 TRP A 53 4.776 6.735 0.220 1.00 0.00 H new ATOM 0 HD1 TRP A 53 6.995 4.838 0.794 1.00 0.00 H new ATOM 0 HE1 TRP A 53 7.286 2.537 -0.340 1.00 0.00 H new ATOM 0 HE3 TRP A 53 2.160 4.046 -0.670 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 5.616 0.629 -1.694 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.542 1.969 -1.880 1.00 0.00 H new ATOM 0 HH2 TRP A 53 3.267 0.265 -2.396 1.00 0.00 H new ATOM 871 N ARG A 54 6.737 6.141 3.408 1.00 0.00 N ATOM 872 CA ARG A 54 8.074 6.743 3.676 1.00 0.00 C ATOM 873 C ARG A 54 9.130 6.053 2.812 1.00 0.00 C ATOM 874 O ARG A 54 9.016 4.889 2.485 1.00 0.00 O ATOM 875 CB ARG A 54 8.428 6.567 5.153 1.00 0.00 C ATOM 876 CG ARG A 54 8.973 7.886 5.706 1.00 0.00 C ATOM 877 CD ARG A 54 9.731 7.621 7.008 1.00 0.00 C ATOM 878 NE ARG A 54 10.860 8.585 7.129 1.00 0.00 N ATOM 879 CZ ARG A 54 11.457 8.750 8.278 1.00 0.00 C ATOM 880 NH1 ARG A 54 11.748 7.715 9.017 1.00 0.00 N ATOM 881 NH2 ARG A 54 11.761 9.951 8.688 1.00 0.00 N ATOM 0 H ARG A 54 6.489 5.348 4.000 1.00 0.00 H new ATOM 0 HA ARG A 54 8.046 7.805 3.434 1.00 0.00 H new ATOM 0 HB2 ARG A 54 7.546 6.261 5.716 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.170 5.777 5.269 1.00 0.00 H new ATOM 0 HG2 ARG A 54 9.635 8.352 4.976 1.00 0.00 H new ATOM 0 HG3 ARG A 54 8.154 8.583 5.885 1.00 0.00 H new ATOM 0 HD2 ARG A 54 9.059 7.723 7.860 1.00 0.00 H new ATOM 0 HD3 ARG A 54 10.109 6.599 7.020 1.00 0.00 H new ATOM 0 HE ARG A 54 11.167 9.116 6.314 1.00 0.00 H new ATOM 0 HH11 ARG A 54 11.509 6.776 8.697 1.00 0.00 H new ATOM 0 HH12 ARG A 54 12.215 7.844 9.915 1.00 0.00 H new ATOM 0 HH21 ARG A 54 11.532 10.760 8.111 1.00 0.00 H new ATOM 0 HH22 ARG A 54 12.227 10.081 9.586 1.00 0.00 H new ATOM 895 N GLN A 55 10.160 6.763 2.442 1.00 0.00 N ATOM 896 CA GLN A 55 11.225 6.150 1.602 1.00 0.00 C ATOM 897 C GLN A 55 10.583 5.370 0.452 1.00 0.00 C ATOM 898 O GLN A 55 10.656 4.159 0.394 1.00 0.00 O ATOM 899 CB GLN A 55 12.066 5.204 2.460 1.00 0.00 C ATOM 900 CG GLN A 55 12.486 5.923 3.743 1.00 0.00 C ATOM 901 CD GLN A 55 13.048 4.907 4.738 1.00 0.00 C ATOM 902 OE1 GLN A 55 12.321 4.366 5.548 1.00 0.00 O ATOM 903 NE2 GLN A 55 14.320 4.622 4.712 1.00 0.00 N ATOM 0 H GLN A 55 10.309 7.742 2.686 1.00 0.00 H new ATOM 0 HA GLN A 55 11.864 6.933 1.193 1.00 0.00 H new ATOM 0 HB2 GLN A 55 11.494 4.309 2.702 1.00 0.00 H new ATOM 0 HB3 GLN A 55 12.947 4.879 1.907 1.00 0.00 H new ATOM 0 HG2 GLN A 55 13.236 6.681 3.518 1.00 0.00 H new ATOM 0 HG3 GLN A 55 11.631 6.440 4.179 1.00 0.00 H new ATOM 0 HE21 GLN A 55 14.931 5.076 4.032 1.00 0.00 H new ATOM 0 HE22 GLN A 55 14.705 3.945 5.371 1.00 0.00 H new ATOM 912 N PHE A 56 9.953 6.057 -0.462 1.00 0.00 N ATOM 913 CA PHE A 56 9.303 5.359 -1.608 1.00 0.00 C ATOM 914 C PHE A 56 10.376 4.787 -2.536 1.00 0.00 C ATOM 915 O PHE A 56 10.404 3.603 -2.811 1.00 0.00 O ATOM 916 CB PHE A 56 8.437 6.353 -2.383 1.00 0.00 C ATOM 917 CG PHE A 56 7.520 5.602 -3.321 1.00 0.00 C ATOM 918 CD1 PHE A 56 6.316 5.066 -2.847 1.00 0.00 C ATOM 919 CD2 PHE A 56 7.875 5.444 -4.666 1.00 0.00 C ATOM 920 CE1 PHE A 56 5.468 4.371 -3.719 1.00 0.00 C ATOM 921 CE2 PHE A 56 7.028 4.749 -5.537 1.00 0.00 C ATOM 922 CZ PHE A 56 5.824 4.213 -5.063 1.00 0.00 C ATOM 0 H PHE A 56 9.860 7.073 -0.465 1.00 0.00 H new ATOM 0 HA PHE A 56 8.680 4.547 -1.232 1.00 0.00 H new ATOM 0 HB2 PHE A 56 7.850 6.957 -1.691 1.00 0.00 H new ATOM 0 HB3 PHE A 56 9.069 7.039 -2.947 1.00 0.00 H new ATOM 0 HD1 PHE A 56 6.041 5.188 -1.810 1.00 0.00 H new ATOM 0 HD2 PHE A 56 8.803 5.859 -5.032 1.00 0.00 H new ATOM 0 HE1 PHE A 56 4.540 3.957 -3.354 1.00 0.00 H new ATOM 0 HE2 PHE A 56 7.303 4.626 -6.574 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.170 3.677 -5.735 1.00 0.00 H new ATOM 932 N GLU A 57 11.262 5.614 -3.023 1.00 0.00 N ATOM 933 CA GLU A 57 12.329 5.106 -3.931 1.00 0.00 C ATOM 934 C GLU A 57 13.036 3.930 -3.262 1.00 0.00 C ATOM 935 O GLU A 57 13.379 2.954 -3.900 1.00 0.00 O ATOM 936 CB GLU A 57 13.346 6.211 -4.202 1.00 0.00 C ATOM 937 CG GLU A 57 12.798 7.164 -5.265 1.00 0.00 C ATOM 938 CD GLU A 57 12.388 8.483 -4.607 1.00 0.00 C ATOM 939 OE1 GLU A 57 12.361 8.531 -3.388 1.00 0.00 O ATOM 940 OE2 GLU A 57 12.108 9.423 -5.333 1.00 0.00 O ATOM 0 H GLU A 57 11.293 6.615 -2.832 1.00 0.00 H new ATOM 0 HA GLU A 57 11.881 4.787 -4.872 1.00 0.00 H new ATOM 0 HB2 GLU A 57 13.557 6.758 -3.283 1.00 0.00 H new ATOM 0 HB3 GLU A 57 14.288 5.778 -4.539 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.554 7.346 -6.029 1.00 0.00 H new ATOM 0 HG3 GLU A 57 11.941 6.713 -5.765 1.00 0.00 H new ATOM 947 N GLN A 58 13.256 4.014 -1.980 1.00 0.00 N ATOM 948 CA GLN A 58 13.931 2.905 -1.268 1.00 0.00 C ATOM 949 C GLN A 58 13.027 1.677 -1.310 1.00 0.00 C ATOM 950 O GLN A 58 13.482 0.555 -1.416 1.00 0.00 O ATOM 951 CB GLN A 58 14.180 3.310 0.185 1.00 0.00 C ATOM 952 CG GLN A 58 15.131 4.507 0.227 1.00 0.00 C ATOM 953 CD GLN A 58 16.532 4.033 0.619 1.00 0.00 C ATOM 954 OE1 GLN A 58 16.804 2.849 0.633 1.00 0.00 O ATOM 955 NE2 GLN A 58 17.439 4.915 0.941 1.00 0.00 N ATOM 0 H GLN A 58 12.994 4.808 -1.396 1.00 0.00 H new ATOM 0 HA GLN A 58 14.885 2.680 -1.744 1.00 0.00 H new ATOM 0 HB2 GLN A 58 13.237 3.564 0.669 1.00 0.00 H new ATOM 0 HB3 GLN A 58 14.607 2.474 0.738 1.00 0.00 H new ATOM 0 HG2 GLN A 58 15.160 4.996 -0.747 1.00 0.00 H new ATOM 0 HG3 GLN A 58 14.772 5.245 0.944 1.00 0.00 H new ATOM 0 HE21 GLN A 58 17.211 5.909 0.929 1.00 0.00 H new ATOM 0 HE22 GLN A 58 18.376 4.610 1.204 1.00 0.00 H new ATOM 964 N SER A 59 11.741 1.887 -1.232 1.00 0.00 N ATOM 965 CA SER A 59 10.793 0.743 -1.272 1.00 0.00 C ATOM 966 C SER A 59 10.424 0.442 -2.727 1.00 0.00 C ATOM 967 O SER A 59 9.549 -0.356 -3.001 1.00 0.00 O ATOM 968 CB SER A 59 9.530 1.100 -0.490 1.00 0.00 C ATOM 969 OG SER A 59 9.322 2.504 -0.552 1.00 0.00 O ATOM 0 H SER A 59 11.307 2.806 -1.142 1.00 0.00 H new ATOM 0 HA SER A 59 11.260 -0.134 -0.824 1.00 0.00 H new ATOM 0 HB2 SER A 59 8.670 0.574 -0.905 1.00 0.00 H new ATOM 0 HB3 SER A 59 9.628 0.781 0.548 1.00 0.00 H new ATOM 0 HG SER A 59 9.768 2.935 0.207 1.00 0.00 H new ATOM 975 N LYS A 60 11.086 1.068 -3.662 1.00 0.00 N ATOM 976 CA LYS A 60 10.772 0.809 -5.096 1.00 0.00 C ATOM 977 C LYS A 60 11.907 0.000 -5.733 1.00 0.00 C ATOM 978 O LYS A 60 11.682 -0.852 -6.569 1.00 0.00 O ATOM 979 CB LYS A 60 10.621 2.142 -5.833 1.00 0.00 C ATOM 980 CG LYS A 60 10.068 1.891 -7.238 1.00 0.00 C ATOM 981 CD LYS A 60 9.591 3.213 -7.843 1.00 0.00 C ATOM 982 CE LYS A 60 10.253 3.420 -9.206 1.00 0.00 C ATOM 983 NZ LYS A 60 9.265 4.011 -10.153 1.00 0.00 N ATOM 0 H LYS A 60 11.829 1.746 -3.495 1.00 0.00 H new ATOM 0 HA LYS A 60 9.842 0.245 -5.167 1.00 0.00 H new ATOM 0 HB2 LYS A 60 9.952 2.801 -5.280 1.00 0.00 H new ATOM 0 HB3 LYS A 60 11.585 2.646 -5.895 1.00 0.00 H new ATOM 0 HG2 LYS A 60 10.838 1.447 -7.869 1.00 0.00 H new ATOM 0 HG3 LYS A 60 9.243 1.180 -7.194 1.00 0.00 H new ATOM 0 HD2 LYS A 60 8.506 3.205 -7.951 1.00 0.00 H new ATOM 0 HD3 LYS A 60 9.839 4.040 -7.177 1.00 0.00 H new ATOM 0 HE2 LYS A 60 11.116 4.078 -9.107 1.00 0.00 H new ATOM 0 HE3 LYS A 60 10.620 2.469 -9.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 9.714 4.152 -11.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 8.454 3.367 -10.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 8.936 4.926 -9.785 1.00 0.00 H new ATOM 997 N GLN A 61 13.126 0.269 -5.351 1.00 0.00 N ATOM 998 CA GLN A 61 14.277 -0.468 -5.936 1.00 0.00 C ATOM 999 C GLN A 61 14.280 -1.921 -5.454 1.00 0.00 C ATOM 1000 O GLN A 61 14.321 -2.845 -6.243 1.00 0.00 O ATOM 1001 CB GLN A 61 15.581 0.207 -5.508 1.00 0.00 C ATOM 1002 CG GLN A 61 16.038 1.176 -6.599 1.00 0.00 C ATOM 1003 CD GLN A 61 17.503 1.552 -6.367 1.00 0.00 C ATOM 1004 OE1 GLN A 61 18.394 0.773 -6.644 1.00 0.00 O ATOM 1005 NE2 GLN A 61 17.792 2.722 -5.867 1.00 0.00 N ATOM 0 H GLN A 61 13.373 0.972 -4.655 1.00 0.00 H new ATOM 0 HA GLN A 61 14.189 -0.455 -7.022 1.00 0.00 H new ATOM 0 HB2 GLN A 61 15.434 0.742 -4.570 1.00 0.00 H new ATOM 0 HB3 GLN A 61 16.350 -0.545 -5.329 1.00 0.00 H new ATOM 0 HG2 GLN A 61 15.920 0.717 -7.581 1.00 0.00 H new ATOM 0 HG3 GLN A 61 15.416 2.071 -6.589 1.00 0.00 H new ATOM 0 HE21 GLN A 61 17.045 3.376 -5.634 1.00 0.00 H new ATOM 0 HE22 GLN A 61 18.765 2.983 -5.709 1.00 0.00 H new ATOM 1014 N LEU A 62 14.261 -2.121 -4.164 1.00 0.00 N ATOM 1015 CA LEU A 62 14.285 -3.516 -3.608 1.00 0.00 C ATOM 1016 C LEU A 62 13.380 -4.394 -4.467 1.00 0.00 C ATOM 1017 O LEU A 62 13.597 -5.580 -4.620 1.00 0.00 O ATOM 1018 CB LEU A 62 13.749 -3.568 -2.163 1.00 0.00 C ATOM 1019 CG LEU A 62 13.238 -2.203 -1.708 1.00 0.00 C ATOM 1020 CD1 LEU A 62 12.010 -1.834 -2.544 1.00 0.00 C ATOM 1021 CD2 LEU A 62 12.841 -2.279 -0.233 1.00 0.00 C ATOM 0 H LEU A 62 14.230 -1.379 -3.464 1.00 0.00 H new ATOM 0 HA LEU A 62 15.319 -3.861 -3.612 1.00 0.00 H new ATOM 0 HB2 LEU A 62 12.944 -4.300 -2.098 1.00 0.00 H new ATOM 0 HB3 LEU A 62 14.540 -3.904 -1.492 1.00 0.00 H new ATOM 0 HG LEU A 62 14.016 -1.451 -1.837 1.00 0.00 H new ATOM 0 HD11 LEU A 62 11.635 -0.860 -2.229 1.00 0.00 H new ATOM 0 HD12 LEU A 62 12.286 -1.793 -3.598 1.00 0.00 H new ATOM 0 HD13 LEU A 62 11.234 -2.586 -2.401 1.00 0.00 H new ATOM 0 HD21 LEU A 62 12.476 -1.306 0.096 1.00 0.00 H new ATOM 0 HD22 LEU A 62 12.055 -3.024 -0.106 1.00 0.00 H new ATOM 0 HD23 LEU A 62 13.709 -2.561 0.363 1.00 0.00 H new ATOM 1033 N THR A 63 12.364 -3.805 -5.027 1.00 0.00 N ATOM 1034 CA THR A 63 11.422 -4.567 -5.882 1.00 0.00 C ATOM 1035 C THR A 63 10.949 -3.647 -7.002 1.00 0.00 C ATOM 1036 O THR A 63 9.807 -3.257 -7.044 1.00 0.00 O ATOM 1037 CB THR A 63 10.225 -5.048 -5.039 1.00 0.00 C ATOM 1038 OG1 THR A 63 9.048 -5.035 -5.834 1.00 0.00 O ATOM 1039 CG2 THR A 63 10.029 -4.136 -3.818 1.00 0.00 C ATOM 0 H THR A 63 12.145 -2.814 -4.926 1.00 0.00 H new ATOM 0 HA THR A 63 11.914 -5.443 -6.305 1.00 0.00 H new ATOM 0 HB THR A 63 10.424 -6.062 -4.693 1.00 0.00 H new ATOM 0 HG1 THR A 63 9.152 -4.387 -6.562 1.00 0.00 H new ATOM 0 HG21 THR A 63 9.180 -4.489 -3.233 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.928 -4.155 -3.201 1.00 0.00 H new ATOM 0 HG23 THR A 63 9.840 -3.116 -4.152 1.00 0.00 H new ATOM 1047 N GLU A 64 11.844 -3.288 -7.896 1.00 0.00 N ATOM 1048 CA GLU A 64 11.496 -2.372 -9.031 1.00 0.00 C ATOM 1049 C GLU A 64 10.008 -2.473 -9.369 1.00 0.00 C ATOM 1050 O GLU A 64 9.464 -3.550 -9.511 1.00 0.00 O ATOM 1051 CB GLU A 64 12.322 -2.752 -10.262 1.00 0.00 C ATOM 1052 CG GLU A 64 11.819 -4.082 -10.826 1.00 0.00 C ATOM 1053 CD GLU A 64 12.631 -4.448 -12.071 1.00 0.00 C ATOM 1054 OE1 GLU A 64 13.845 -4.495 -11.969 1.00 0.00 O ATOM 1055 OE2 GLU A 64 12.023 -4.673 -13.105 1.00 0.00 O ATOM 0 H GLU A 64 12.816 -3.597 -7.886 1.00 0.00 H new ATOM 0 HA GLU A 64 11.719 -1.347 -8.734 1.00 0.00 H new ATOM 0 HB2 GLU A 64 12.245 -1.972 -11.019 1.00 0.00 H new ATOM 0 HB3 GLU A 64 13.376 -2.834 -9.995 1.00 0.00 H new ATOM 0 HG2 GLU A 64 11.912 -4.866 -10.075 1.00 0.00 H new ATOM 0 HG3 GLU A 64 10.761 -4.006 -11.078 1.00 0.00 H new ATOM 1062 N ASN A 65 9.344 -1.356 -9.482 1.00 0.00 N ATOM 1063 CA ASN A 65 7.890 -1.383 -9.793 1.00 0.00 C ATOM 1064 C ASN A 65 7.149 -2.091 -8.658 1.00 0.00 C ATOM 1065 O ASN A 65 6.067 -2.614 -8.840 1.00 0.00 O ATOM 1066 CB ASN A 65 7.657 -2.135 -11.107 1.00 0.00 C ATOM 1067 CG ASN A 65 7.855 -1.179 -12.285 1.00 0.00 C ATOM 1068 OD1 ASN A 65 8.417 -0.113 -12.129 1.00 0.00 O ATOM 1069 ND2 ASN A 65 7.415 -1.518 -13.465 1.00 0.00 N ATOM 0 H ASN A 65 9.747 -0.426 -9.372 1.00 0.00 H new ATOM 0 HA ASN A 65 7.518 -0.363 -9.895 1.00 0.00 H new ATOM 0 HB2 ASN A 65 8.349 -2.974 -11.186 1.00 0.00 H new ATOM 0 HB3 ASN A 65 6.649 -2.550 -11.127 1.00 0.00 H new ATOM 0 HD21 ASN A 65 7.543 -0.888 -14.257 1.00 0.00 H new ATOM 0 HD22 ASN A 65 6.943 -2.413 -13.596 1.00 0.00 H new ATOM 1076 N GLY A 66 7.723 -2.112 -7.482 1.00 0.00 N ATOM 1077 CA GLY A 66 7.048 -2.786 -6.338 1.00 0.00 C ATOM 1078 C GLY A 66 6.107 -1.796 -5.656 1.00 0.00 C ATOM 1079 O GLY A 66 4.915 -2.012 -5.568 1.00 0.00 O ATOM 0 H GLY A 66 8.627 -1.692 -7.267 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.490 -3.654 -6.690 1.00 0.00 H new ATOM 0 HA3 GLY A 66 7.789 -3.151 -5.627 1.00 0.00 H new ATOM 1083 N ALA A 67 6.638 -0.710 -5.169 1.00 0.00 N ATOM 1084 CA ALA A 67 5.791 0.297 -4.490 1.00 0.00 C ATOM 1085 C ALA A 67 5.005 1.099 -5.525 1.00 0.00 C ATOM 1086 O ALA A 67 3.964 1.651 -5.233 1.00 0.00 O ATOM 1087 CB ALA A 67 6.682 1.234 -3.676 1.00 0.00 C ATOM 0 H ALA A 67 7.630 -0.479 -5.215 1.00 0.00 H new ATOM 0 HA ALA A 67 5.087 -0.206 -3.827 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.064 1.978 -3.173 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.233 0.658 -2.933 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.386 1.736 -4.340 1.00 0.00 H new ATOM 1093 N GLU A 68 5.486 1.163 -6.734 1.00 0.00 N ATOM 1094 CA GLU A 68 4.760 1.914 -7.775 1.00 0.00 C ATOM 1095 C GLU A 68 3.463 1.163 -8.104 1.00 0.00 C ATOM 1096 O GLU A 68 2.538 1.713 -8.666 1.00 0.00 O ATOM 1097 CB GLU A 68 5.680 2.057 -9.005 1.00 0.00 C ATOM 1098 CG GLU A 68 5.083 1.358 -10.228 1.00 0.00 C ATOM 1099 CD GLU A 68 3.935 2.198 -10.791 1.00 0.00 C ATOM 1100 OE1 GLU A 68 3.842 3.358 -10.427 1.00 0.00 O ATOM 1101 OE2 GLU A 68 3.169 1.666 -11.578 1.00 0.00 O ATOM 0 H GLU A 68 6.354 0.724 -7.040 1.00 0.00 H new ATOM 0 HA GLU A 68 4.491 2.915 -7.437 1.00 0.00 H new ATOM 0 HB2 GLU A 68 5.834 3.113 -9.226 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.659 1.632 -8.782 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.850 1.217 -10.989 1.00 0.00 H new ATOM 0 HG3 GLU A 68 4.721 0.368 -9.952 1.00 0.00 H new ATOM 1108 N SER A 69 3.399 -0.092 -7.751 1.00 0.00 N ATOM 1109 CA SER A 69 2.176 -0.895 -8.031 1.00 0.00 C ATOM 1110 C SER A 69 1.114 -0.619 -6.959 1.00 0.00 C ATOM 1111 O SER A 69 0.067 -0.057 -7.231 1.00 0.00 O ATOM 1112 CB SER A 69 2.541 -2.381 -8.019 1.00 0.00 C ATOM 1113 OG SER A 69 2.304 -2.933 -9.308 1.00 0.00 O ATOM 0 H SER A 69 4.147 -0.598 -7.277 1.00 0.00 H new ATOM 0 HA SER A 69 1.775 -0.620 -9.007 1.00 0.00 H new ATOM 0 HB2 SER A 69 3.588 -2.508 -7.743 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.948 -2.907 -7.271 1.00 0.00 H new ATOM 0 HG SER A 69 2.684 -3.835 -9.352 1.00 0.00 H new ATOM 1119 N VAL A 70 1.376 -1.009 -5.739 1.00 0.00 N ATOM 1120 CA VAL A 70 0.386 -0.771 -4.656 1.00 0.00 C ATOM 1121 C VAL A 70 0.051 0.711 -4.621 1.00 0.00 C ATOM 1122 O VAL A 70 -1.086 1.095 -4.458 1.00 0.00 O ATOM 1123 CB VAL A 70 0.982 -1.184 -3.313 1.00 0.00 C ATOM 1124 CG1 VAL A 70 0.088 -0.669 -2.185 1.00 0.00 C ATOM 1125 CG2 VAL A 70 1.070 -2.707 -3.242 1.00 0.00 C ATOM 0 H VAL A 70 2.232 -1.481 -5.449 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.514 -1.357 -4.844 1.00 0.00 H new ATOM 0 HB VAL A 70 1.981 -0.760 -3.209 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.510 -0.962 -1.224 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.025 0.418 -2.238 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.910 -1.095 -2.288 1.00 0.00 H new ATOM 0 HG21 VAL A 70 1.496 -3.003 -2.283 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.072 -3.134 -3.343 1.00 0.00 H new ATOM 0 HG23 VAL A 70 1.705 -3.073 -4.049 1.00 0.00 H new ATOM 1135 N LEU A 71 1.037 1.544 -4.781 1.00 0.00 N ATOM 1136 CA LEU A 71 0.780 3.007 -4.770 1.00 0.00 C ATOM 1137 C LEU A 71 -0.158 3.341 -5.921 1.00 0.00 C ATOM 1138 O LEU A 71 -1.055 4.139 -5.786 1.00 0.00 O ATOM 1139 CB LEU A 71 2.089 3.755 -4.967 1.00 0.00 C ATOM 1140 CG LEU A 71 1.800 5.242 -5.178 1.00 0.00 C ATOM 1141 CD1 LEU A 71 1.337 5.865 -3.860 1.00 0.00 C ATOM 1142 CD2 LEU A 71 3.072 5.946 -5.655 1.00 0.00 C ATOM 0 H LEU A 71 2.011 1.275 -4.919 1.00 0.00 H new ATOM 0 HA LEU A 71 0.335 3.298 -3.818 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.733 3.618 -4.098 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.625 3.352 -5.827 1.00 0.00 H new ATOM 0 HG LEU A 71 1.017 5.356 -5.928 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.131 6.925 -4.011 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.431 5.364 -3.519 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.119 5.751 -3.109 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.867 7.006 -5.806 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.855 5.831 -4.905 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.402 5.503 -6.595 1.00 0.00 H new ATOM 1154 N GLN A 72 0.041 2.728 -7.053 1.00 0.00 N ATOM 1155 CA GLN A 72 -0.852 3.002 -8.210 1.00 0.00 C ATOM 1156 C GLN A 72 -2.270 2.616 -7.818 1.00 0.00 C ATOM 1157 O GLN A 72 -3.231 3.222 -8.237 1.00 0.00 O ATOM 1158 CB GLN A 72 -0.371 2.180 -9.428 1.00 0.00 C ATOM 1159 CG GLN A 72 -1.450 1.199 -9.915 1.00 0.00 C ATOM 1160 CD GLN A 72 -0.979 0.519 -11.201 1.00 0.00 C ATOM 1161 OE1 GLN A 72 -0.482 1.170 -12.099 1.00 0.00 O ATOM 1162 NE2 GLN A 72 -1.115 -0.772 -11.329 1.00 0.00 N ATOM 0 H GLN A 72 0.783 2.050 -7.227 1.00 0.00 H new ATOM 0 HA GLN A 72 -0.830 4.058 -8.480 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -0.101 2.856 -10.239 1.00 0.00 H new ATOM 0 HB3 GLN A 72 0.530 1.627 -9.161 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -1.649 0.451 -9.148 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -2.385 1.730 -10.093 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -1.532 -1.318 -10.575 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -0.804 -1.235 -12.183 1.00 0.00 H new ATOM 1171 N VAL A 73 -2.393 1.599 -7.026 1.00 0.00 N ATOM 1172 CA VAL A 73 -3.729 1.141 -6.596 1.00 0.00 C ATOM 1173 C VAL A 73 -4.261 2.055 -5.489 1.00 0.00 C ATOM 1174 O VAL A 73 -5.451 2.197 -5.305 1.00 0.00 O ATOM 1175 CB VAL A 73 -3.599 -0.279 -6.068 1.00 0.00 C ATOM 1176 CG1 VAL A 73 -4.884 -0.677 -5.347 1.00 0.00 C ATOM 1177 CG2 VAL A 73 -3.312 -1.230 -7.237 1.00 0.00 C ATOM 0 H VAL A 73 -1.612 1.058 -6.653 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.423 1.170 -7.436 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.774 -0.338 -5.358 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -4.789 -1.695 -4.969 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -5.060 0.004 -4.514 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.722 -0.625 -6.042 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.218 -2.249 -6.862 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -4.131 -1.181 -7.955 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.383 -0.936 -7.726 1.00 0.00 H new ATOM 1187 N PHE A 74 -3.391 2.667 -4.741 1.00 0.00 N ATOM 1188 CA PHE A 74 -3.858 3.564 -3.644 1.00 0.00 C ATOM 1189 C PHE A 74 -4.327 4.899 -4.236 1.00 0.00 C ATOM 1190 O PHE A 74 -5.301 5.478 -3.797 1.00 0.00 O ATOM 1191 CB PHE A 74 -2.715 3.806 -2.653 1.00 0.00 C ATOM 1192 CG PHE A 74 -2.804 2.800 -1.533 1.00 0.00 C ATOM 1193 CD1 PHE A 74 -3.779 2.944 -0.540 1.00 0.00 C ATOM 1194 CD2 PHE A 74 -1.913 1.721 -1.488 1.00 0.00 C ATOM 1195 CE1 PHE A 74 -3.863 2.010 0.499 1.00 0.00 C ATOM 1196 CE2 PHE A 74 -1.997 0.787 -0.449 1.00 0.00 C ATOM 1197 CZ PHE A 74 -2.972 0.932 0.544 1.00 0.00 C ATOM 0 H PHE A 74 -2.379 2.588 -4.838 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.690 3.092 -3.120 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -1.754 3.718 -3.160 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.773 4.818 -2.253 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -4.467 3.776 -0.575 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -1.161 1.609 -2.255 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -4.615 2.121 1.266 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -1.310 -0.045 -0.414 1.00 0.00 H new ATOM 0 HZ PHE A 74 -3.037 0.211 1.346 1.00 0.00 H new ATOM 1207 N ARG A 75 -3.647 5.382 -5.238 1.00 0.00 N ATOM 1208 CA ARG A 75 -4.045 6.660 -5.875 1.00 0.00 C ATOM 1209 C ARG A 75 -5.182 6.382 -6.841 1.00 0.00 C ATOM 1210 O ARG A 75 -6.103 7.155 -6.977 1.00 0.00 O ATOM 1211 CB ARG A 75 -2.863 7.225 -6.645 1.00 0.00 C ATOM 1212 CG ARG A 75 -2.261 8.406 -5.882 1.00 0.00 C ATOM 1213 CD ARG A 75 -1.621 9.379 -6.874 1.00 0.00 C ATOM 1214 NE ARG A 75 -0.792 8.618 -7.851 1.00 0.00 N ATOM 1215 CZ ARG A 75 -0.398 9.185 -8.960 1.00 0.00 C ATOM 1216 NH1 ARG A 75 -0.684 10.438 -9.195 1.00 0.00 N ATOM 1217 NH2 ARG A 75 0.283 8.498 -9.836 1.00 0.00 N ATOM 0 H ARG A 75 -2.824 4.938 -5.645 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.361 7.376 -5.116 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.109 6.452 -6.789 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.184 7.546 -7.636 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.035 8.913 -5.306 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -1.515 8.051 -5.171 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.394 9.942 -7.397 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -1.003 10.103 -6.343 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.532 7.652 -7.653 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.216 10.976 -8.512 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -0.375 10.878 -10.062 1.00 0.00 H new ATOM 0 HH21 ARG A 75 0.507 7.520 -9.654 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.591 8.939 -10.702 1.00 0.00 H new ATOM 1231 N GLU A 76 -5.119 5.261 -7.499 1.00 0.00 N ATOM 1232 CA GLU A 76 -6.194 4.878 -8.447 1.00 0.00 C ATOM 1233 C GLU A 76 -7.465 4.706 -7.632 1.00 0.00 C ATOM 1234 O GLU A 76 -8.501 5.258 -7.940 1.00 0.00 O ATOM 1235 CB GLU A 76 -5.824 3.548 -9.089 1.00 0.00 C ATOM 1236 CG GLU A 76 -4.957 3.777 -10.327 1.00 0.00 C ATOM 1237 CD GLU A 76 -5.848 4.134 -11.518 1.00 0.00 C ATOM 1238 OE1 GLU A 76 -7.001 4.464 -11.292 1.00 0.00 O ATOM 1239 OE2 GLU A 76 -5.363 4.072 -12.636 1.00 0.00 O ATOM 0 H GLU A 76 -4.358 4.587 -7.418 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.329 5.630 -9.225 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.288 2.927 -8.371 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.729 3.006 -9.366 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.243 4.579 -10.140 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -4.378 2.881 -10.549 1.00 0.00 H new ATOM 1246 N ALA A 77 -7.371 3.961 -6.563 1.00 0.00 N ATOM 1247 CA ALA A 77 -8.541 3.770 -5.686 1.00 0.00 C ATOM 1248 C ALA A 77 -8.912 5.143 -5.151 1.00 0.00 C ATOM 1249 O ALA A 77 -10.070 5.492 -5.045 1.00 0.00 O ATOM 1250 CB ALA A 77 -8.190 2.832 -4.529 1.00 0.00 C ATOM 0 H ALA A 77 -6.524 3.477 -6.265 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.371 3.322 -6.233 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.063 2.700 -3.890 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.881 1.865 -4.926 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.375 3.262 -3.946 1.00 0.00 H new ATOM 1256 N LYS A 78 -7.927 5.954 -4.856 1.00 0.00 N ATOM 1257 CA LYS A 78 -8.237 7.323 -4.384 1.00 0.00 C ATOM 1258 C LYS A 78 -9.087 7.976 -5.463 1.00 0.00 C ATOM 1259 O LYS A 78 -9.970 8.770 -5.204 1.00 0.00 O ATOM 1260 CB LYS A 78 -6.939 8.106 -4.236 1.00 0.00 C ATOM 1261 CG LYS A 78 -6.944 8.869 -2.911 1.00 0.00 C ATOM 1262 CD LYS A 78 -6.456 10.300 -3.142 1.00 0.00 C ATOM 1263 CE LYS A 78 -7.596 11.140 -3.721 1.00 0.00 C ATOM 1264 NZ LYS A 78 -8.744 11.143 -2.771 1.00 0.00 N ATOM 0 H LYS A 78 -6.935 5.725 -4.923 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.755 7.303 -3.425 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.087 7.427 -4.272 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -6.827 8.802 -5.067 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -7.949 8.880 -2.490 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -6.301 8.367 -2.188 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -6.111 10.734 -2.204 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -5.607 10.300 -3.825 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -7.256 12.160 -3.900 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -7.908 10.735 -4.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -9.317 11.998 -2.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -9.331 10.300 -2.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -8.386 11.134 -1.794 1.00 0.00 H new ATOM 1278 N ALA A 79 -8.806 7.620 -6.682 1.00 0.00 N ATOM 1279 CA ALA A 79 -9.549 8.163 -7.838 1.00 0.00 C ATOM 1280 C ALA A 79 -10.967 7.594 -7.834 1.00 0.00 C ATOM 1281 O ALA A 79 -11.924 8.261 -8.173 1.00 0.00 O ATOM 1282 CB ALA A 79 -8.828 7.735 -9.116 1.00 0.00 C ATOM 0 H ALA A 79 -8.071 6.957 -6.927 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.599 9.251 -7.783 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.361 8.126 -9.983 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -7.811 8.127 -9.108 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -8.797 6.647 -9.169 1.00 0.00 H new ATOM 1288 N GLU A 80 -11.098 6.356 -7.449 1.00 0.00 N ATOM 1289 CA GLU A 80 -12.430 5.707 -7.408 1.00 0.00 C ATOM 1290 C GLU A 80 -13.394 6.551 -6.572 1.00 0.00 C ATOM 1291 O GLU A 80 -14.597 6.396 -6.647 1.00 0.00 O ATOM 1292 CB GLU A 80 -12.275 4.324 -6.773 1.00 0.00 C ATOM 1293 CG GLU A 80 -11.787 3.334 -7.828 1.00 0.00 C ATOM 1294 CD GLU A 80 -12.965 2.501 -8.334 1.00 0.00 C ATOM 1295 OE1 GLU A 80 -14.005 2.532 -7.697 1.00 0.00 O ATOM 1296 OE2 GLU A 80 -12.808 1.846 -9.351 1.00 0.00 O ATOM 0 H GLU A 80 -10.324 5.760 -7.157 1.00 0.00 H new ATOM 0 HA GLU A 80 -12.830 5.615 -8.418 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.567 4.369 -5.945 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -13.228 3.992 -6.360 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -11.324 3.869 -8.657 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -11.023 2.682 -7.404 1.00 0.00 H new ATOM 1303 N GLY A 81 -12.874 7.434 -5.767 1.00 0.00 N ATOM 1304 CA GLY A 81 -13.753 8.280 -4.914 1.00 0.00 C ATOM 1305 C GLY A 81 -13.386 8.055 -3.447 1.00 0.00 C ATOM 1306 O GLY A 81 -13.923 8.683 -2.556 1.00 0.00 O ATOM 0 H GLY A 81 -11.874 7.607 -5.663 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -13.633 9.331 -5.175 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -14.800 8.027 -5.084 1.00 0.00 H new ATOM 1310 N CYS A 82 -12.471 7.159 -3.193 1.00 0.00 N ATOM 1311 CA CYS A 82 -12.059 6.882 -1.794 1.00 0.00 C ATOM 1312 C CYS A 82 -11.274 8.074 -1.246 1.00 0.00 C ATOM 1313 O CYS A 82 -10.867 8.952 -1.981 1.00 0.00 O ATOM 1314 CB CYS A 82 -11.170 5.644 -1.778 1.00 0.00 C ATOM 1315 SG CYS A 82 -12.191 4.161 -1.969 1.00 0.00 S ATOM 0 H CYS A 82 -11.990 6.605 -3.902 1.00 0.00 H new ATOM 0 HA CYS A 82 -12.942 6.716 -1.176 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -10.437 5.700 -2.583 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -10.613 5.596 -0.843 1.00 0.00 H new ATOM 0 HG CYS A 82 -11.922 3.323 -1.012 1.00 0.00 H new ATOM 1321 N ASP A 83 -11.059 8.114 0.039 1.00 0.00 N ATOM 1322 CA ASP A 83 -10.303 9.248 0.632 1.00 0.00 C ATOM 1323 C ASP A 83 -8.960 8.744 1.170 1.00 0.00 C ATOM 1324 O ASP A 83 -8.647 8.897 2.334 1.00 0.00 O ATOM 1325 CB ASP A 83 -11.124 9.845 1.771 1.00 0.00 C ATOM 1326 CG ASP A 83 -10.600 11.242 2.106 1.00 0.00 C ATOM 1327 OD1 ASP A 83 -9.630 11.653 1.490 1.00 0.00 O ATOM 1328 OD2 ASP A 83 -11.177 11.878 2.972 1.00 0.00 O ATOM 0 H ASP A 83 -11.375 7.408 0.704 1.00 0.00 H new ATOM 0 HA ASP A 83 -10.118 10.009 -0.127 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -12.175 9.899 1.486 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -11.065 9.203 2.650 1.00 0.00 H new ATOM 1333 N ILE A 84 -8.163 8.148 0.325 1.00 0.00 N ATOM 1334 CA ILE A 84 -6.836 7.638 0.774 1.00 0.00 C ATOM 1335 C ILE A 84 -5.785 8.734 0.560 1.00 0.00 C ATOM 1336 O ILE A 84 -5.175 8.820 -0.486 1.00 0.00 O ATOM 1337 CB ILE A 84 -6.458 6.418 -0.060 1.00 0.00 C ATOM 1338 CG1 ILE A 84 -7.382 5.264 0.280 1.00 0.00 C ATOM 1339 CG2 ILE A 84 -5.013 6.013 0.229 1.00 0.00 C ATOM 1340 CD1 ILE A 84 -7.925 4.695 -1.021 1.00 0.00 C ATOM 0 H ILE A 84 -8.375 7.992 -0.660 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.882 7.364 1.828 1.00 0.00 H new ATOM 0 HB ILE A 84 -6.556 6.667 -1.117 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -6.844 4.496 0.836 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -8.199 5.605 0.917 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.753 5.141 -0.371 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.347 6.838 -0.022 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.908 5.770 1.286 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -8.593 3.862 -0.803 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -8.474 5.470 -1.556 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -7.098 4.344 -1.638 1.00 0.00 H new ATOM 1352 N THR A 85 -5.570 9.574 1.533 1.00 0.00 N ATOM 1353 CA THR A 85 -4.561 10.660 1.366 1.00 0.00 C ATOM 1354 C THR A 85 -3.186 10.045 1.097 1.00 0.00 C ATOM 1355 O THR A 85 -2.526 9.563 1.995 1.00 0.00 O ATOM 1356 CB THR A 85 -4.504 11.506 2.640 1.00 0.00 C ATOM 1357 OG1 THR A 85 -5.724 12.220 2.786 1.00 0.00 O ATOM 1358 CG2 THR A 85 -3.339 12.496 2.553 1.00 0.00 C ATOM 0 H THR A 85 -6.047 9.557 2.435 1.00 0.00 H new ATOM 0 HA THR A 85 -4.845 11.292 0.524 1.00 0.00 H new ATOM 0 HB THR A 85 -4.356 10.854 3.501 1.00 0.00 H new ATOM 0 HG1 THR A 85 -5.691 12.761 3.602 1.00 0.00 H new ATOM 0 HG21 THR A 85 -3.303 13.096 3.462 1.00 0.00 H new ATOM 0 HG22 THR A 85 -2.403 11.948 2.442 1.00 0.00 H new ATOM 0 HG23 THR A 85 -3.481 13.150 1.692 1.00 0.00 H new ATOM 1366 N ILE A 86 -2.747 10.058 -0.133 1.00 0.00 N ATOM 1367 CA ILE A 86 -1.414 9.473 -0.453 1.00 0.00 C ATOM 1368 C ILE A 86 -0.311 10.417 0.026 1.00 0.00 C ATOM 1369 O ILE A 86 -0.096 11.472 -0.537 1.00 0.00 O ATOM 1370 CB ILE A 86 -1.288 9.274 -1.964 1.00 0.00 C ATOM 1371 CG1 ILE A 86 -2.531 8.553 -2.485 1.00 0.00 C ATOM 1372 CG2 ILE A 86 -0.047 8.432 -2.266 1.00 0.00 C ATOM 1373 CD1 ILE A 86 -2.512 7.100 -2.008 1.00 0.00 C ATOM 0 H ILE A 86 -3.253 10.448 -0.928 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.315 8.511 0.050 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.196 10.244 -2.453 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -3.431 9.053 -2.128 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.557 8.590 -3.574 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.043 8.290 -3.343 1.00 0.00 H new ATOM 0 HG22 ILE A 86 0.840 8.944 -1.892 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.138 7.461 -1.778 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -3.398 6.584 -2.378 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.618 6.604 -2.387 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -2.507 7.075 -0.918 1.00 0.00 H new ATOM 1385 N ILE A 87 0.395 10.043 1.056 1.00 0.00 N ATOM 1386 CA ILE A 87 1.487 10.917 1.564 1.00 0.00 C ATOM 1387 C ILE A 87 2.836 10.301 1.182 1.00 0.00 C ATOM 1388 O ILE A 87 3.335 9.410 1.842 1.00 0.00 O ATOM 1389 CB ILE A 87 1.380 11.038 3.084 1.00 0.00 C ATOM 1390 CG1 ILE A 87 0.126 11.841 3.441 1.00 0.00 C ATOM 1391 CG2 ILE A 87 2.614 11.758 3.630 1.00 0.00 C ATOM 1392 CD1 ILE A 87 -0.164 11.698 4.936 1.00 0.00 C ATOM 0 H ILE A 87 0.263 9.170 1.567 1.00 0.00 H new ATOM 0 HA ILE A 87 1.403 11.911 1.124 1.00 0.00 H new ATOM 0 HB ILE A 87 1.317 10.042 3.523 1.00 0.00 H new ATOM 0 HG12 ILE A 87 0.269 12.891 3.187 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -0.724 11.485 2.859 1.00 0.00 H new ATOM 0 HG21 ILE A 87 2.536 11.843 4.714 1.00 0.00 H new ATOM 0 HG22 ILE A 87 3.509 11.191 3.374 1.00 0.00 H new ATOM 0 HG23 ILE A 87 2.678 12.754 3.191 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -1.057 12.270 5.190 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -0.326 10.647 5.176 1.00 0.00 H new ATOM 0 HD13 ILE A 87 0.683 12.075 5.509 1.00 0.00 H new ATOM 1404 N LEU A 88 3.421 10.766 0.112 1.00 0.00 N ATOM 1405 CA LEU A 88 4.730 10.213 -0.333 1.00 0.00 C ATOM 1406 C LEU A 88 5.870 11.042 0.263 1.00 0.00 C ATOM 1407 O LEU A 88 5.904 12.250 0.134 1.00 0.00 O ATOM 1408 CB LEU A 88 4.797 10.267 -1.857 1.00 0.00 C ATOM 1409 CG LEU A 88 3.548 9.611 -2.468 1.00 0.00 C ATOM 1410 CD1 LEU A 88 3.941 8.919 -3.765 1.00 0.00 C ATOM 1411 CD2 LEU A 88 2.953 8.563 -1.515 1.00 0.00 C ATOM 0 H LEU A 88 3.045 11.510 -0.476 1.00 0.00 H new ATOM 0 HA LEU A 88 4.828 9.181 0.004 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.871 11.303 -2.188 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.693 9.755 -2.207 1.00 0.00 H new ATOM 0 HG LEU A 88 2.803 10.386 -2.648 1.00 0.00 H new ATOM 0 HD11 LEU A 88 3.062 8.450 -4.208 1.00 0.00 H new ATOM 0 HD12 LEU A 88 4.349 9.653 -4.460 1.00 0.00 H new ATOM 0 HD13 LEU A 88 4.693 8.158 -3.558 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.071 8.115 -1.972 1.00 0.00 H new ATOM 0 HD22 LEU A 88 3.694 7.788 -1.319 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.672 9.042 -0.577 1.00 0.00 H new ATOM 1423 N SER A 89 6.805 10.406 0.914 1.00 0.00 N ATOM 1424 CA SER A 89 7.939 11.163 1.516 1.00 0.00 C ATOM 1425 C SER A 89 9.232 10.364 1.349 1.00 0.00 C ATOM 1426 O SER A 89 9.337 9.643 0.370 1.00 0.00 O ATOM 1427 CB SER A 89 7.668 11.389 3.005 1.00 0.00 C ATOM 1428 OG SER A 89 7.889 12.758 3.319 1.00 0.00 O ATOM 1429 OXT SER A 89 10.096 10.486 2.202 1.00 0.00 O ATOM 0 H SER A 89 6.833 9.396 1.055 1.00 0.00 H new ATOM 0 HA SER A 89 8.040 12.126 1.015 1.00 0.00 H new ATOM 0 HB2 SER A 89 6.643 11.109 3.247 1.00 0.00 H new ATOM 0 HB3 SER A 89 8.321 10.756 3.606 1.00 0.00 H new ATOM 0 HG SER A 89 7.715 12.907 4.272 1.00 0.00 H new TER 1435 SER A 89