USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 646 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 60 ASN : amide:sc= -0.263 K(o=0.73,f=-0.83!) USER MOD Set 1.2: A 62 THR OG1 : rot -156:sc= 1.03 USER MOD Set 1.3: A 63 THR OG1 : rot 168:sc= -0.0352 USER MOD Set 2.1: A 7 GLN : amide:sc= -0.241 X(o=-0.24,f=0) USER MOD Set 2.2: A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1AGLY N :NH3+ -115:sc= 0.0897 (180deg=0) USER MOD Single : A 1BSER OG : rot 180:sc= 0 USER MOD Single : A 1CMET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.126 USER MOD Single : A 6 TYR OH : rot 22:sc= 0.69 USER MOD Single : A 8 TYR OH : rot -111:sc= 0.623 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 155:sc=-0.00208 (180deg=-0.32) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HE2:sc= -0.204 K(o=-0.2,f=-2.7) USER MOD Single : A 33 ASN : amide:sc= -0.28 K(o=-0.28,f=-4.6!) USER MOD Single : A 34 LYS NZ :NH3+ -166:sc= -0.0796 (180deg=-0.391) USER MOD Single : A 36 SER OG : rot 100:sc= 0.0235 USER MOD Single : A 43 SER OG : rot 180:sc= 0.118 USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 49 LYS NZ :NH3+ -153:sc= -0.0464 (180deg=-0.379) USER MOD Single : A 57 ASN :FLIP amide:sc= -0.0798 F(o=-1.5,f=-0.08) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0327 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= -0.288 USER MOD Single : A 80 LYS NZ :NH3+ -156:sc= 0.787 (180deg=0.474) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1A 14.717 6.433 -25.604 1.00 0.00 N ATOM 2 CA GLY A 1A 13.275 6.316 -25.241 1.00 0.00 C ATOM 3 C GLY A 1A 13.106 5.864 -23.787 1.00 0.00 C ATOM 4 O GLY A 1A 14.066 5.569 -23.103 1.00 0.00 O ATOM 0 H1 GLY A 1A 14.944 7.427 -25.808 1.00 0.00 H new ATOM 0 H2 GLY A 1A 15.303 6.099 -24.812 1.00 0.00 H new ATOM 0 H3 GLY A 1A 14.911 5.854 -26.446 1.00 0.00 H new ATOM 0 HA2 GLY A 1A 12.781 7.277 -25.386 1.00 0.00 H new ATOM 0 HA3 GLY A 1A 12.786 5.603 -25.906 1.00 0.00 H new ATOM 10 N SER A 1B 11.866 5.822 -23.368 1.00 0.00 N ATOM 11 CA SER A 1B 11.519 5.303 -22.008 1.00 0.00 C ATOM 12 C SER A 1B 11.926 3.829 -21.852 1.00 0.00 C ATOM 13 O SER A 1B 12.564 3.472 -20.881 1.00 0.00 O ATOM 14 CB SER A 1B 10.001 5.460 -21.803 1.00 0.00 C ATOM 15 OG SER A 1B 9.749 5.027 -20.471 1.00 0.00 O ATOM 0 H SER A 1B 11.066 6.131 -23.920 1.00 0.00 H new ATOM 0 HA SER A 1B 12.065 5.872 -21.256 1.00 0.00 H new ATOM 0 HB2 SER A 1B 9.691 6.496 -21.944 1.00 0.00 H new ATOM 0 HB3 SER A 1B 9.444 4.860 -22.522 1.00 0.00 H new ATOM 0 HG SER A 1B 8.791 5.105 -20.277 1.00 0.00 H new ATOM 21 N MET A 1C 11.542 3.026 -22.818 1.00 0.00 N ATOM 22 CA MET A 1C 11.721 1.536 -22.754 1.00 0.00 C ATOM 23 C MET A 1C 10.899 0.901 -21.616 1.00 0.00 C ATOM 24 O MET A 1C 10.656 1.510 -20.588 1.00 0.00 O ATOM 25 CB MET A 1C 13.239 1.209 -22.556 1.00 0.00 C ATOM 26 CG MET A 1C 13.684 0.081 -23.506 1.00 0.00 C ATOM 27 SD MET A 1C 12.829 -1.511 -23.382 1.00 0.00 S ATOM 28 CE MET A 1C 13.753 -2.437 -24.637 1.00 0.00 C ATOM 0 H MET A 1C 11.097 3.352 -23.676 1.00 0.00 H new ATOM 0 HA MET A 1C 11.360 1.113 -23.691 1.00 0.00 H new ATOM 0 HB2 MET A 1C 13.835 2.103 -22.741 1.00 0.00 H new ATOM 0 HB3 MET A 1C 13.420 0.913 -21.523 1.00 0.00 H new ATOM 0 HG2 MET A 1C 13.575 0.441 -24.529 1.00 0.00 H new ATOM 0 HG3 MET A 1C 14.747 -0.096 -23.342 1.00 0.00 H new ATOM 0 HE1 MET A 1C 13.362 -3.452 -24.702 1.00 0.00 H new ATOM 0 HE2 MET A 1C 13.647 -1.945 -25.604 1.00 0.00 H new ATOM 0 HE3 MET A 1C 14.807 -2.471 -24.361 1.00 0.00 H new ATOM 38 N SER A 2 10.494 -0.329 -21.843 1.00 0.00 N ATOM 39 CA SER A 2 9.823 -1.121 -20.768 1.00 0.00 C ATOM 40 C SER A 2 10.681 -1.183 -19.493 1.00 0.00 C ATOM 41 O SER A 2 11.894 -1.259 -19.557 1.00 0.00 O ATOM 42 CB SER A 2 9.541 -2.603 -21.208 1.00 0.00 C ATOM 43 OG SER A 2 9.982 -2.810 -22.545 1.00 0.00 O ATOM 0 H SER A 2 10.602 -0.817 -22.732 1.00 0.00 H new ATOM 0 HA SER A 2 8.882 -0.606 -20.574 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.053 -3.293 -20.537 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.475 -2.816 -21.132 1.00 0.00 H new ATOM 0 HG SER A 2 9.803 -3.737 -22.809 1.00 0.00 H new ATOM 49 N ALA A 3 9.994 -1.150 -18.380 1.00 0.00 N ATOM 50 CA ALA A 3 10.667 -1.123 -17.048 1.00 0.00 C ATOM 51 C ALA A 3 11.064 -2.564 -16.646 1.00 0.00 C ATOM 52 O ALA A 3 11.490 -3.310 -17.505 1.00 0.00 O ATOM 53 CB ALA A 3 9.664 -0.475 -16.065 1.00 0.00 C ATOM 0 H ALA A 3 8.975 -1.140 -18.339 1.00 0.00 H new ATOM 0 HA ALA A 3 11.590 -0.543 -17.051 1.00 0.00 H new ATOM 0 HB1 ALA A 3 10.107 -0.430 -15.070 1.00 0.00 H new ATOM 0 HB2 ALA A 3 9.425 0.534 -16.402 1.00 0.00 H new ATOM 0 HB3 ALA A 3 8.752 -1.072 -16.029 1.00 0.00 H new ATOM 59 N GLU A 4 10.920 -2.919 -15.390 1.00 0.00 N ATOM 60 CA GLU A 4 11.381 -4.252 -14.885 1.00 0.00 C ATOM 61 C GLU A 4 10.252 -5.007 -14.163 1.00 0.00 C ATOM 62 O GLU A 4 10.453 -5.658 -13.156 1.00 0.00 O ATOM 63 CB GLU A 4 12.587 -4.008 -13.951 1.00 0.00 C ATOM 64 CG GLU A 4 12.220 -3.155 -12.707 1.00 0.00 C ATOM 65 CD GLU A 4 13.484 -2.418 -12.229 1.00 0.00 C ATOM 66 OE1 GLU A 4 14.342 -3.101 -11.692 1.00 0.00 O ATOM 67 OE2 GLU A 4 13.528 -1.214 -12.425 1.00 0.00 O ATOM 0 H GLU A 4 10.492 -2.326 -14.678 1.00 0.00 H new ATOM 0 HA GLU A 4 11.677 -4.884 -15.722 1.00 0.00 H new ATOM 0 HB2 GLU A 4 12.987 -4.967 -13.623 1.00 0.00 H new ATOM 0 HB3 GLU A 4 13.378 -3.507 -14.509 1.00 0.00 H new ATOM 0 HG2 GLU A 4 11.436 -2.440 -12.956 1.00 0.00 H new ATOM 0 HG3 GLU A 4 11.830 -3.792 -11.913 1.00 0.00 H new ATOM 74 N GLY A 5 9.085 -4.883 -14.737 1.00 0.00 N ATOM 75 CA GLY A 5 7.882 -5.605 -14.221 1.00 0.00 C ATOM 76 C GLY A 5 6.609 -5.181 -14.966 1.00 0.00 C ATOM 77 O GLY A 5 6.633 -4.915 -16.152 1.00 0.00 O ATOM 0 H GLY A 5 8.910 -4.302 -15.557 1.00 0.00 H new ATOM 0 HA2 GLY A 5 8.027 -6.680 -14.329 1.00 0.00 H new ATOM 0 HA3 GLY A 5 7.765 -5.405 -13.156 1.00 0.00 H new ATOM 81 N TYR A 6 5.532 -5.139 -14.223 1.00 0.00 N ATOM 82 CA TYR A 6 4.172 -4.860 -14.802 1.00 0.00 C ATOM 83 C TYR A 6 3.859 -3.376 -14.581 1.00 0.00 C ATOM 84 O TYR A 6 4.333 -2.792 -13.626 1.00 0.00 O ATOM 85 CB TYR A 6 3.093 -5.741 -14.090 1.00 0.00 C ATOM 86 CG TYR A 6 3.656 -6.990 -13.359 1.00 0.00 C ATOM 87 CD1 TYR A 6 4.443 -7.920 -14.019 1.00 0.00 C ATOM 88 CD2 TYR A 6 3.365 -7.212 -12.021 1.00 0.00 C ATOM 89 CE1 TYR A 6 4.921 -9.036 -13.366 1.00 0.00 C ATOM 90 CE2 TYR A 6 3.844 -8.329 -11.372 1.00 0.00 C ATOM 91 CZ TYR A 6 4.621 -9.244 -12.037 1.00 0.00 C ATOM 92 OH TYR A 6 5.084 -10.364 -11.382 1.00 0.00 O ATOM 0 H TYR A 6 5.534 -5.290 -13.214 1.00 0.00 H new ATOM 0 HA TYR A 6 4.161 -5.097 -15.866 1.00 0.00 H new ATOM 0 HB2 TYR A 6 2.558 -5.124 -13.368 1.00 0.00 H new ATOM 0 HB3 TYR A 6 2.364 -6.068 -14.831 1.00 0.00 H new ATOM 0 HD1 TYR A 6 4.686 -7.768 -15.060 1.00 0.00 H new ATOM 0 HD2 TYR A 6 2.756 -6.501 -11.482 1.00 0.00 H new ATOM 0 HE1 TYR A 6 5.533 -9.750 -13.898 1.00 0.00 H new ATOM 0 HE2 TYR A 6 3.606 -8.486 -10.330 1.00 0.00 H new ATOM 0 HH TYR A 6 5.866 -10.719 -11.854 1.00 0.00 H new ATOM 102 N GLN A 7 3.073 -2.803 -15.463 1.00 0.00 N ATOM 103 CA GLN A 7 2.712 -1.357 -15.316 1.00 0.00 C ATOM 104 C GLN A 7 1.212 -1.085 -15.392 1.00 0.00 C ATOM 105 O GLN A 7 0.415 -1.896 -15.827 1.00 0.00 O ATOM 106 CB GLN A 7 3.423 -0.538 -16.418 1.00 0.00 C ATOM 107 CG GLN A 7 4.922 -0.405 -16.092 1.00 0.00 C ATOM 108 CD GLN A 7 5.667 0.246 -17.273 1.00 0.00 C ATOM 109 OE1 GLN A 7 6.449 1.158 -17.092 1.00 0.00 O ATOM 110 NE2 GLN A 7 5.464 -0.182 -18.492 1.00 0.00 N ATOM 0 H GLN A 7 2.668 -3.272 -16.274 1.00 0.00 H new ATOM 0 HA GLN A 7 3.038 -1.059 -14.320 1.00 0.00 H new ATOM 0 HB2 GLN A 7 3.295 -1.025 -17.385 1.00 0.00 H new ATOM 0 HB3 GLN A 7 2.971 0.451 -16.497 1.00 0.00 H new ATOM 0 HG2 GLN A 7 5.054 0.197 -15.193 1.00 0.00 H new ATOM 0 HG3 GLN A 7 5.345 -1.388 -15.883 1.00 0.00 H new ATOM 0 HE21 GLN A 7 4.811 -0.947 -18.662 1.00 0.00 H new ATOM 0 HE22 GLN A 7 5.959 0.249 -19.273 1.00 0.00 H new ATOM 119 N TYR A 8 0.919 0.103 -14.933 1.00 0.00 N ATOM 120 CA TYR A 8 -0.478 0.591 -14.779 1.00 0.00 C ATOM 121 C TYR A 8 -0.493 2.063 -15.184 1.00 0.00 C ATOM 122 O TYR A 8 0.511 2.743 -15.103 1.00 0.00 O ATOM 123 CB TYR A 8 -0.922 0.469 -13.315 1.00 0.00 C ATOM 124 CG TYR A 8 -1.074 -1.000 -12.924 1.00 0.00 C ATOM 125 CD1 TYR A 8 0.033 -1.756 -12.593 1.00 0.00 C ATOM 126 CD2 TYR A 8 -2.321 -1.588 -12.896 1.00 0.00 C ATOM 127 CE1 TYR A 8 -0.103 -3.079 -12.243 1.00 0.00 C ATOM 128 CE2 TYR A 8 -2.457 -2.910 -12.544 1.00 0.00 C ATOM 129 CZ TYR A 8 -1.354 -3.667 -12.214 1.00 0.00 C ATOM 130 OH TYR A 8 -1.506 -4.992 -11.858 1.00 0.00 O ATOM 0 H TYR A 8 1.625 0.782 -14.647 1.00 0.00 H new ATOM 0 HA TYR A 8 -1.155 0.002 -15.398 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -0.191 0.951 -12.666 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -1.869 0.990 -13.171 1.00 0.00 H new ATOM 0 HD1 TYR A 8 1.014 -1.305 -12.609 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -3.195 -1.007 -13.152 1.00 0.00 H new ATOM 0 HE1 TYR A 8 0.771 -3.661 -11.990 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -3.439 -3.360 -12.526 1.00 0.00 H new ATOM 0 HH TYR A 8 -1.782 -5.512 -12.642 1.00 0.00 H new ATOM 140 N ARG A 9 -1.651 2.494 -15.601 1.00 0.00 N ATOM 141 CA ARG A 9 -1.858 3.893 -16.065 1.00 0.00 C ATOM 142 C ARG A 9 -3.022 4.459 -15.246 1.00 0.00 C ATOM 143 O ARG A 9 -4.113 3.921 -15.273 1.00 0.00 O ATOM 144 CB ARG A 9 -2.178 3.841 -17.569 1.00 0.00 C ATOM 145 CG ARG A 9 -2.602 5.227 -18.102 1.00 0.00 C ATOM 146 CD ARG A 9 -2.479 5.232 -19.635 1.00 0.00 C ATOM 147 NE ARG A 9 -3.028 6.528 -20.143 1.00 0.00 N ATOM 148 CZ ARG A 9 -3.585 6.594 -21.322 1.00 0.00 C ATOM 149 NH1 ARG A 9 -2.838 6.533 -22.389 1.00 0.00 N ATOM 150 NH2 ARG A 9 -4.880 6.729 -21.398 1.00 0.00 N ATOM 0 H ARG A 9 -2.489 1.914 -15.640 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.984 4.530 -15.927 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -1.303 3.491 -18.117 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.976 3.121 -17.748 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -3.628 5.447 -17.806 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -1.972 6.005 -17.671 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -1.437 5.117 -19.933 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -3.027 4.393 -20.063 1.00 0.00 H new ATOM 0 HE ARG A 9 -2.967 7.366 -19.564 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -1.827 6.434 -22.299 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -3.265 6.584 -23.314 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -5.438 6.781 -20.546 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -5.335 6.783 -22.310 1.00 0.00 H new ATOM 164 N ALA A 10 -2.748 5.528 -14.543 1.00 0.00 N ATOM 165 CA ALA A 10 -3.844 6.323 -13.901 1.00 0.00 C ATOM 166 C ALA A 10 -4.938 6.679 -14.925 1.00 0.00 C ATOM 167 O ALA A 10 -4.646 7.242 -15.963 1.00 0.00 O ATOM 168 CB ALA A 10 -3.229 7.605 -13.307 1.00 0.00 C ATOM 0 H ALA A 10 -1.807 5.888 -14.384 1.00 0.00 H new ATOM 0 HA ALA A 10 -4.311 5.731 -13.114 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.011 8.199 -12.834 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.478 7.338 -12.564 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.762 8.187 -14.102 1.00 0.00 H new ATOM 174 N LEU A 11 -6.161 6.337 -14.598 1.00 0.00 N ATOM 175 CA LEU A 11 -7.322 6.705 -15.472 1.00 0.00 C ATOM 176 C LEU A 11 -7.813 8.131 -15.166 1.00 0.00 C ATOM 177 O LEU A 11 -8.271 8.823 -16.054 1.00 0.00 O ATOM 178 CB LEU A 11 -8.476 5.694 -15.240 1.00 0.00 C ATOM 179 CG LEU A 11 -9.339 5.557 -16.540 1.00 0.00 C ATOM 180 CD1 LEU A 11 -8.670 4.550 -17.531 1.00 0.00 C ATOM 181 CD2 LEU A 11 -10.780 5.080 -16.179 1.00 0.00 C ATOM 0 H LEU A 11 -6.407 5.815 -13.757 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.000 6.672 -16.513 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.068 4.723 -14.960 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -9.102 6.028 -14.412 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.402 6.532 -17.023 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.280 4.464 -18.430 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.677 4.909 -17.800 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.586 3.573 -17.055 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -11.372 4.988 -17.090 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -10.729 4.112 -15.680 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -11.248 5.806 -15.514 1.00 0.00 H new ATOM 193 N TYR A 12 -7.704 8.519 -13.918 1.00 0.00 N ATOM 194 CA TYR A 12 -8.255 9.836 -13.461 1.00 0.00 C ATOM 195 C TYR A 12 -7.339 10.458 -12.401 1.00 0.00 C ATOM 196 O TYR A 12 -6.581 9.768 -11.748 1.00 0.00 O ATOM 197 CB TYR A 12 -9.669 9.605 -12.871 1.00 0.00 C ATOM 198 CG TYR A 12 -10.723 10.187 -13.821 1.00 0.00 C ATOM 199 CD1 TYR A 12 -11.210 9.434 -14.871 1.00 0.00 C ATOM 200 CD2 TYR A 12 -11.196 11.471 -13.637 1.00 0.00 C ATOM 201 CE1 TYR A 12 -12.157 9.957 -15.723 1.00 0.00 C ATOM 202 CE2 TYR A 12 -12.143 11.995 -14.490 1.00 0.00 C ATOM 203 CZ TYR A 12 -12.630 11.241 -15.539 1.00 0.00 C ATOM 204 OH TYR A 12 -13.579 11.764 -16.394 1.00 0.00 O ATOM 0 H TYR A 12 -7.251 7.972 -13.186 1.00 0.00 H new ATOM 0 HA TYR A 12 -8.313 10.521 -14.307 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -9.844 8.539 -12.726 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -9.747 10.077 -11.892 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -10.846 8.429 -15.025 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -10.821 12.069 -12.819 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -12.532 9.359 -16.540 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -12.506 13.001 -14.337 1.00 0.00 H new ATOM 0 HH TYR A 12 -13.800 12.678 -16.118 1.00 0.00 H new ATOM 214 N ASP A 13 -7.449 11.757 -12.269 1.00 0.00 N ATOM 215 CA ASP A 13 -6.641 12.500 -11.261 1.00 0.00 C ATOM 216 C ASP A 13 -7.278 12.328 -9.875 1.00 0.00 C ATOM 217 O ASP A 13 -8.397 12.749 -9.650 1.00 0.00 O ATOM 218 CB ASP A 13 -6.590 14.013 -11.634 1.00 0.00 C ATOM 219 CG ASP A 13 -7.617 14.401 -12.718 1.00 0.00 C ATOM 220 OD1 ASP A 13 -7.266 14.269 -13.880 1.00 0.00 O ATOM 221 OD2 ASP A 13 -8.698 14.803 -12.319 1.00 0.00 O ATOM 0 H ASP A 13 -8.074 12.339 -12.826 1.00 0.00 H new ATOM 0 HA ASP A 13 -5.625 12.105 -11.247 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.772 14.609 -10.739 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -5.588 14.262 -11.985 1.00 0.00 H new ATOM 226 N TYR A 14 -6.530 11.708 -8.998 1.00 0.00 N ATOM 227 CA TYR A 14 -6.985 11.469 -7.591 1.00 0.00 C ATOM 228 C TYR A 14 -5.988 12.131 -6.632 1.00 0.00 C ATOM 229 O TYR A 14 -4.792 11.984 -6.789 1.00 0.00 O ATOM 230 CB TYR A 14 -7.061 9.934 -7.391 1.00 0.00 C ATOM 231 CG TYR A 14 -6.940 9.492 -5.912 1.00 0.00 C ATOM 232 CD1 TYR A 14 -8.056 9.415 -5.099 1.00 0.00 C ATOM 233 CD2 TYR A 14 -5.710 9.149 -5.382 1.00 0.00 C ATOM 234 CE1 TYR A 14 -7.939 9.003 -3.787 1.00 0.00 C ATOM 235 CE2 TYR A 14 -5.595 8.737 -4.072 1.00 0.00 C ATOM 236 CZ TYR A 14 -6.708 8.660 -3.263 1.00 0.00 C ATOM 237 OH TYR A 14 -6.595 8.245 -1.951 1.00 0.00 O ATOM 0 H TYR A 14 -5.598 11.348 -9.203 1.00 0.00 H new ATOM 0 HA TYR A 14 -7.965 11.901 -7.391 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -8.007 9.571 -7.793 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -6.266 9.462 -7.968 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -9.026 9.679 -5.494 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -4.828 9.205 -6.003 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -8.819 8.948 -3.164 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -4.625 8.473 -3.676 1.00 0.00 H new ATOM 0 HH TYR A 14 -5.657 8.043 -1.751 1.00 0.00 H new ATOM 247 N LYS A 15 -6.520 12.838 -5.667 1.00 0.00 N ATOM 248 CA LYS A 15 -5.666 13.493 -4.627 1.00 0.00 C ATOM 249 C LYS A 15 -5.475 12.502 -3.473 1.00 0.00 C ATOM 250 O LYS A 15 -6.199 11.532 -3.369 1.00 0.00 O ATOM 251 CB LYS A 15 -6.376 14.780 -4.126 1.00 0.00 C ATOM 252 CG LYS A 15 -5.558 16.033 -4.512 1.00 0.00 C ATOM 253 CD LYS A 15 -6.293 17.315 -4.013 1.00 0.00 C ATOM 254 CE LYS A 15 -5.359 18.171 -3.136 1.00 0.00 C ATOM 255 NZ LYS A 15 -4.143 18.568 -3.901 1.00 0.00 N ATOM 0 H LYS A 15 -7.522 12.992 -5.554 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.694 13.768 -5.036 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.375 14.843 -4.558 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.499 14.737 -3.044 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -4.562 15.979 -4.072 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.427 16.075 -5.593 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -6.635 17.900 -4.867 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -7.179 17.034 -3.443 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -5.887 19.061 -2.793 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.070 17.610 -2.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -3.749 19.442 -3.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -3.434 17.810 -3.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -4.397 18.730 -4.897 1.00 0.00 H new ATOM 269 N LYS A 16 -4.513 12.781 -2.632 1.00 0.00 N ATOM 270 CA LYS A 16 -4.201 11.850 -1.499 1.00 0.00 C ATOM 271 C LYS A 16 -5.050 12.220 -0.272 1.00 0.00 C ATOM 272 O LYS A 16 -5.292 13.380 -0.004 1.00 0.00 O ATOM 273 CB LYS A 16 -2.694 11.963 -1.149 1.00 0.00 C ATOM 274 CG LYS A 16 -2.284 13.453 -0.981 1.00 0.00 C ATOM 275 CD LYS A 16 -1.003 13.580 -0.124 1.00 0.00 C ATOM 276 CE LYS A 16 -1.390 13.829 1.349 1.00 0.00 C ATOM 277 NZ LYS A 16 -0.211 13.608 2.237 1.00 0.00 N ATOM 0 H LYS A 16 -3.927 13.615 -2.679 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.432 10.826 -1.793 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.486 11.417 -0.229 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.096 11.502 -1.935 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.117 13.901 -1.961 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.097 14.007 -0.512 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.407 12.671 -0.206 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.386 14.400 -0.492 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.758 14.848 1.468 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.202 13.161 1.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.484 13.779 3.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.122 12.628 2.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.552 14.263 1.971 1.00 0.00 H new ATOM 291 N GLU A 17 -5.480 11.199 0.425 1.00 0.00 N ATOM 292 CA GLU A 17 -6.282 11.392 1.677 1.00 0.00 C ATOM 293 C GLU A 17 -5.682 10.593 2.842 1.00 0.00 C ATOM 294 O GLU A 17 -6.041 10.787 3.989 1.00 0.00 O ATOM 295 CB GLU A 17 -7.723 10.934 1.411 1.00 0.00 C ATOM 296 CG GLU A 17 -8.671 12.049 1.880 1.00 0.00 C ATOM 297 CD GLU A 17 -8.595 12.213 3.410 1.00 0.00 C ATOM 298 OE1 GLU A 17 -9.120 11.336 4.079 1.00 0.00 O ATOM 299 OE2 GLU A 17 -8.016 13.203 3.826 1.00 0.00 O ATOM 0 H GLU A 17 -5.308 10.224 0.178 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.268 12.446 1.954 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.869 10.732 0.350 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.932 10.007 1.944 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.406 12.988 1.394 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.693 11.814 1.584 1.00 0.00 H new ATOM 306 N ARG A 18 -4.777 9.718 2.490 1.00 0.00 N ATOM 307 CA ARG A 18 -4.060 8.871 3.489 1.00 0.00 C ATOM 308 C ARG A 18 -2.546 8.998 3.305 1.00 0.00 C ATOM 309 O ARG A 18 -2.048 9.099 2.202 1.00 0.00 O ATOM 310 CB ARG A 18 -4.489 7.406 3.297 1.00 0.00 C ATOM 311 CG ARG A 18 -4.334 6.631 4.631 1.00 0.00 C ATOM 312 CD ARG A 18 -5.677 6.558 5.397 1.00 0.00 C ATOM 313 NE ARG A 18 -6.312 7.913 5.457 1.00 0.00 N ATOM 314 CZ ARG A 18 -7.127 8.207 6.435 1.00 0.00 C ATOM 315 NH1 ARG A 18 -8.264 7.572 6.524 1.00 0.00 N ATOM 316 NH2 ARG A 18 -6.778 9.125 7.293 1.00 0.00 N ATOM 0 H ARG A 18 -4.497 9.551 1.523 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.314 9.204 4.496 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.524 7.363 2.959 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.881 6.939 2.522 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.973 5.623 4.429 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.584 7.119 5.253 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -6.348 5.855 4.903 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -5.509 6.182 6.406 1.00 0.00 H new ATOM 0 HE ARG A 18 -6.109 8.605 4.736 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -8.505 6.858 5.836 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -8.912 7.789 7.281 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -5.881 9.601 7.194 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -7.402 9.367 8.063 1.00 0.00 H new ATOM 330 N GLU A 19 -1.870 8.985 4.424 1.00 0.00 N ATOM 331 CA GLU A 19 -0.378 9.124 4.448 1.00 0.00 C ATOM 332 C GLU A 19 0.270 7.960 3.697 1.00 0.00 C ATOM 333 O GLU A 19 1.289 8.100 3.048 1.00 0.00 O ATOM 334 CB GLU A 19 0.140 9.132 5.925 1.00 0.00 C ATOM 335 CG GLU A 19 -0.964 9.471 6.954 1.00 0.00 C ATOM 336 CD GLU A 19 -1.621 10.828 6.616 1.00 0.00 C ATOM 337 OE1 GLU A 19 -0.887 11.804 6.609 1.00 0.00 O ATOM 338 OE2 GLU A 19 -2.821 10.815 6.383 1.00 0.00 O ATOM 0 H GLU A 19 -2.297 8.882 5.345 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.111 10.064 3.965 1.00 0.00 H new ATOM 0 HB2 GLU A 19 0.561 8.155 6.161 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.948 9.858 6.016 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.720 8.685 6.958 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.537 9.507 7.956 1.00 0.00 H new ATOM 345 N GLU A 20 -0.386 6.845 3.832 1.00 0.00 N ATOM 346 CA GLU A 20 0.031 5.587 3.141 1.00 0.00 C ATOM 347 C GLU A 20 -0.112 5.739 1.621 1.00 0.00 C ATOM 348 O GLU A 20 0.681 5.214 0.865 1.00 0.00 O ATOM 349 CB GLU A 20 -0.855 4.437 3.633 1.00 0.00 C ATOM 350 CG GLU A 20 -0.665 4.231 5.156 1.00 0.00 C ATOM 351 CD GLU A 20 -0.273 2.765 5.424 1.00 0.00 C ATOM 352 OE1 GLU A 20 0.922 2.512 5.421 1.00 0.00 O ATOM 353 OE2 GLU A 20 -1.189 1.981 5.615 1.00 0.00 O ATOM 0 H GLU A 20 -1.221 6.747 4.410 1.00 0.00 H new ATOM 0 HA GLU A 20 1.076 5.377 3.369 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.901 4.655 3.416 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.603 3.520 3.100 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.108 4.901 5.532 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.585 4.477 5.686 1.00 0.00 H new ATOM 360 N ASP A 21 -1.131 6.464 1.230 1.00 0.00 N ATOM 361 CA ASP A 21 -1.380 6.711 -0.222 1.00 0.00 C ATOM 362 C ASP A 21 -0.620 7.953 -0.683 1.00 0.00 C ATOM 363 O ASP A 21 -0.201 8.768 0.116 1.00 0.00 O ATOM 364 CB ASP A 21 -2.893 6.909 -0.451 1.00 0.00 C ATOM 365 CG ASP A 21 -3.673 5.607 -0.161 1.00 0.00 C ATOM 366 OD1 ASP A 21 -3.146 4.544 -0.453 1.00 0.00 O ATOM 367 OD2 ASP A 21 -4.773 5.753 0.343 1.00 0.00 O ATOM 0 H ASP A 21 -1.805 6.898 1.860 1.00 0.00 H new ATOM 0 HA ASP A 21 -1.031 5.854 -0.798 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -3.260 7.708 0.193 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -3.071 7.222 -1.480 1.00 0.00 H new ATOM 372 N ILE A 22 -0.477 8.034 -1.980 1.00 0.00 N ATOM 373 CA ILE A 22 0.227 9.189 -2.620 1.00 0.00 C ATOM 374 C ILE A 22 -0.681 9.854 -3.661 1.00 0.00 C ATOM 375 O ILE A 22 -1.765 9.385 -3.945 1.00 0.00 O ATOM 376 CB ILE A 22 1.538 8.686 -3.308 1.00 0.00 C ATOM 377 CG1 ILE A 22 1.281 7.376 -4.128 1.00 0.00 C ATOM 378 CG2 ILE A 22 2.640 8.442 -2.240 1.00 0.00 C ATOM 379 CD1 ILE A 22 2.038 7.415 -5.471 1.00 0.00 C ATOM 0 H ILE A 22 -0.825 7.335 -2.637 1.00 0.00 H new ATOM 0 HA ILE A 22 0.476 9.922 -1.852 1.00 0.00 H new ATOM 0 HB ILE A 22 1.875 9.457 -4.001 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.602 6.510 -3.549 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.213 7.259 -4.310 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.549 8.092 -2.729 1.00 0.00 H new ATOM 0 HG22 ILE A 22 2.847 9.373 -1.712 1.00 0.00 H new ATOM 0 HG23 ILE A 22 2.298 7.690 -1.529 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.845 6.496 -6.024 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.697 8.269 -6.056 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.108 7.508 -5.283 1.00 0.00 H new ATOM 391 N ASP A 23 -0.184 10.939 -4.194 1.00 0.00 N ATOM 392 CA ASP A 23 -0.965 11.746 -5.180 1.00 0.00 C ATOM 393 C ASP A 23 -1.000 10.997 -6.521 1.00 0.00 C ATOM 394 O ASP A 23 -0.068 10.291 -6.853 1.00 0.00 O ATOM 395 CB ASP A 23 -0.281 13.112 -5.362 1.00 0.00 C ATOM 396 CG ASP A 23 -0.561 13.983 -4.128 1.00 0.00 C ATOM 397 OD1 ASP A 23 0.183 13.828 -3.173 1.00 0.00 O ATOM 398 OD2 ASP A 23 -1.505 14.751 -4.214 1.00 0.00 O ATOM 0 H ASP A 23 0.744 11.306 -3.985 1.00 0.00 H new ATOM 0 HA ASP A 23 -1.984 11.897 -4.823 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.793 12.980 -5.493 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -0.654 13.603 -6.261 1.00 0.00 H new ATOM 403 N LEU A 24 -2.077 11.177 -7.242 1.00 0.00 N ATOM 404 CA LEU A 24 -2.224 10.541 -8.591 1.00 0.00 C ATOM 405 C LEU A 24 -2.728 11.565 -9.617 1.00 0.00 C ATOM 406 O LEU A 24 -3.566 12.390 -9.312 1.00 0.00 O ATOM 407 CB LEU A 24 -3.233 9.368 -8.515 1.00 0.00 C ATOM 408 CG LEU A 24 -2.766 8.249 -7.531 1.00 0.00 C ATOM 409 CD1 LEU A 24 -3.879 7.156 -7.432 1.00 0.00 C ATOM 410 CD2 LEU A 24 -1.431 7.603 -8.018 1.00 0.00 C ATOM 0 H LEU A 24 -2.873 11.745 -6.951 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.247 10.170 -8.902 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.204 9.747 -8.197 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.367 8.942 -9.509 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.592 8.692 -6.550 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.559 6.372 -6.746 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.800 7.607 -7.063 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.055 6.726 -8.418 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.125 6.826 -7.317 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.578 7.164 -9.005 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.656 8.367 -8.073 1.00 0.00 H new ATOM 422 N HIS A 25 -2.191 11.465 -10.808 1.00 0.00 N ATOM 423 CA HIS A 25 -2.422 12.497 -11.873 1.00 0.00 C ATOM 424 C HIS A 25 -2.556 11.780 -13.228 1.00 0.00 C ATOM 425 O HIS A 25 -2.219 10.618 -13.343 1.00 0.00 O ATOM 426 CB HIS A 25 -1.223 13.505 -11.931 1.00 0.00 C ATOM 427 CG HIS A 25 -0.145 13.213 -10.874 1.00 0.00 C ATOM 428 ND1 HIS A 25 -0.249 13.453 -9.608 1.00 0.00 N ATOM 429 CD2 HIS A 25 1.120 12.665 -11.011 1.00 0.00 C ATOM 430 CE1 HIS A 25 0.841 13.093 -9.004 1.00 0.00 C ATOM 431 NE2 HIS A 25 1.719 12.594 -9.842 1.00 0.00 N ATOM 0 H HIS A 25 -1.588 10.694 -11.095 1.00 0.00 H new ATOM 0 HA HIS A 25 -3.331 13.055 -11.646 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -0.772 13.469 -12.923 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -1.599 14.518 -11.789 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -1.065 13.863 -9.153 1.00 0.00 H new ATOM 0 HD2 HIS A 25 1.553 12.342 -11.946 1.00 0.00 H new ATOM 0 HE1 HIS A 25 1.006 13.192 -7.941 1.00 0.00 H new ATOM 439 N LEU A 26 -3.045 12.488 -14.217 1.00 0.00 N ATOM 440 CA LEU A 26 -3.109 11.919 -15.605 1.00 0.00 C ATOM 441 C LEU A 26 -1.700 11.680 -16.178 1.00 0.00 C ATOM 442 O LEU A 26 -0.761 12.362 -15.812 1.00 0.00 O ATOM 443 CB LEU A 26 -3.891 12.905 -16.513 1.00 0.00 C ATOM 444 CG LEU A 26 -5.396 12.500 -16.564 1.00 0.00 C ATOM 445 CD1 LEU A 26 -6.229 13.667 -17.168 1.00 0.00 C ATOM 446 CD2 LEU A 26 -5.576 11.203 -17.412 1.00 0.00 C ATOM 0 H LEU A 26 -3.404 13.438 -14.125 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.618 10.956 -15.568 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.792 13.921 -16.131 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.470 12.899 -17.518 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.750 12.299 -15.553 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -7.281 13.383 -17.203 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -6.114 14.556 -16.547 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.877 13.881 -18.177 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.631 10.930 -17.440 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.220 11.379 -18.427 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.003 10.392 -16.962 1.00 0.00 H new ATOM 458 N GLY A 27 -1.597 10.712 -17.060 1.00 0.00 N ATOM 459 CA GLY A 27 -0.285 10.380 -17.709 1.00 0.00 C ATOM 460 C GLY A 27 0.706 9.710 -16.750 1.00 0.00 C ATOM 461 O GLY A 27 1.745 9.229 -17.162 1.00 0.00 O ATOM 0 H GLY A 27 -2.378 10.129 -17.362 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -0.463 9.720 -18.558 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.160 11.293 -18.103 1.00 0.00 H new ATOM 465 N ASP A 28 0.347 9.704 -15.494 1.00 0.00 N ATOM 466 CA ASP A 28 1.183 9.039 -14.460 1.00 0.00 C ATOM 467 C ASP A 28 1.141 7.520 -14.664 1.00 0.00 C ATOM 468 O ASP A 28 0.077 6.954 -14.832 1.00 0.00 O ATOM 469 CB ASP A 28 0.623 9.426 -13.074 1.00 0.00 C ATOM 470 CG ASP A 28 1.545 8.985 -11.917 1.00 0.00 C ATOM 471 OD1 ASP A 28 2.677 8.619 -12.189 1.00 0.00 O ATOM 472 OD2 ASP A 28 1.053 9.043 -10.802 1.00 0.00 O ATOM 0 H ASP A 28 -0.504 10.139 -15.138 1.00 0.00 H new ATOM 0 HA ASP A 28 2.222 9.359 -14.535 1.00 0.00 H new ATOM 0 HB2 ASP A 28 0.484 10.506 -13.031 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -0.360 8.973 -12.944 1.00 0.00 H new ATOM 477 N ILE A 29 2.304 6.916 -14.639 1.00 0.00 N ATOM 478 CA ILE A 29 2.390 5.430 -14.740 1.00 0.00 C ATOM 479 C ILE A 29 3.087 4.898 -13.497 1.00 0.00 C ATOM 480 O ILE A 29 4.053 5.457 -13.016 1.00 0.00 O ATOM 481 CB ILE A 29 3.162 5.077 -16.070 1.00 0.00 C ATOM 482 CG1 ILE A 29 2.050 4.799 -17.105 1.00 0.00 C ATOM 483 CG2 ILE A 29 4.092 3.808 -15.967 1.00 0.00 C ATOM 484 CD1 ILE A 29 2.582 4.801 -18.544 1.00 0.00 C ATOM 0 H ILE A 29 3.201 7.393 -14.552 1.00 0.00 H new ATOM 0 HA ILE A 29 1.406 4.963 -14.786 1.00 0.00 H new ATOM 0 HB ILE A 29 3.831 5.899 -16.327 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.590 3.834 -16.891 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.269 5.553 -17.007 1.00 0.00 H new ATOM 0 HG21 ILE A 29 4.583 3.638 -16.925 1.00 0.00 H new ATOM 0 HG22 ILE A 29 4.846 3.971 -15.196 1.00 0.00 H new ATOM 0 HG23 ILE A 29 3.491 2.936 -15.708 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.763 4.601 -19.235 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.018 5.774 -18.770 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.344 4.029 -18.651 1.00 0.00 H new ATOM 496 N LEU A 30 2.535 3.811 -13.029 1.00 0.00 N ATOM 497 CA LEU A 30 3.081 3.115 -11.837 1.00 0.00 C ATOM 498 C LEU A 30 3.759 1.817 -12.309 1.00 0.00 C ATOM 499 O LEU A 30 3.356 1.247 -13.304 1.00 0.00 O ATOM 500 CB LEU A 30 1.913 2.810 -10.876 1.00 0.00 C ATOM 501 CG LEU A 30 1.538 4.039 -9.994 1.00 0.00 C ATOM 502 CD1 LEU A 30 1.101 5.243 -10.860 1.00 0.00 C ATOM 503 CD2 LEU A 30 0.363 3.638 -9.066 1.00 0.00 C ATOM 0 H LEU A 30 1.710 3.370 -13.435 1.00 0.00 H new ATOM 0 HA LEU A 30 3.815 3.729 -11.315 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.042 2.500 -11.453 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.184 1.973 -10.233 1.00 0.00 H new ATOM 0 HG LEU A 30 2.414 4.333 -9.416 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.846 6.083 -10.214 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.917 5.530 -11.523 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.231 4.966 -11.455 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.087 4.487 -8.441 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.493 3.340 -9.671 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.668 2.805 -8.433 1.00 0.00 H new ATOM 515 N THR A 31 4.767 1.392 -11.587 1.00 0.00 N ATOM 516 CA THR A 31 5.499 0.129 -11.946 1.00 0.00 C ATOM 517 C THR A 31 5.564 -0.803 -10.730 1.00 0.00 C ATOM 518 O THR A 31 5.512 -0.344 -9.608 1.00 0.00 O ATOM 519 CB THR A 31 6.922 0.495 -12.410 1.00 0.00 C ATOM 520 OG1 THR A 31 6.764 1.579 -13.319 1.00 0.00 O ATOM 521 CG2 THR A 31 7.541 -0.633 -13.264 1.00 0.00 C ATOM 0 H THR A 31 5.120 1.868 -10.757 1.00 0.00 H new ATOM 0 HA THR A 31 4.973 -0.387 -12.749 1.00 0.00 H new ATOM 0 HB THR A 31 7.543 0.697 -11.537 1.00 0.00 H new ATOM 0 HG1 THR A 31 7.643 1.859 -13.650 1.00 0.00 H new ATOM 0 HG21 THR A 31 8.545 -0.344 -13.576 1.00 0.00 H new ATOM 0 HG22 THR A 31 7.593 -1.549 -12.675 1.00 0.00 H new ATOM 0 HG23 THR A 31 6.922 -0.804 -14.145 1.00 0.00 H new ATOM 529 N VAL A 32 5.671 -2.084 -10.991 1.00 0.00 N ATOM 530 CA VAL A 32 5.667 -3.115 -9.897 1.00 0.00 C ATOM 531 C VAL A 32 6.850 -4.076 -10.118 1.00 0.00 C ATOM 532 O VAL A 32 7.542 -3.976 -11.113 1.00 0.00 O ATOM 533 CB VAL A 32 4.305 -3.936 -9.909 1.00 0.00 C ATOM 534 CG1 VAL A 32 3.780 -4.091 -8.454 1.00 0.00 C ATOM 535 CG2 VAL A 32 3.184 -3.282 -10.781 1.00 0.00 C ATOM 0 H VAL A 32 5.763 -2.468 -11.932 1.00 0.00 H new ATOM 0 HA VAL A 32 5.761 -2.616 -8.932 1.00 0.00 H new ATOM 0 HB VAL A 32 4.535 -4.903 -10.356 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.846 -4.654 -8.462 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.519 -4.623 -7.855 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.606 -3.105 -8.023 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.286 -3.898 -10.741 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.959 -2.287 -10.398 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.525 -3.205 -11.813 1.00 0.00 H new ATOM 545 N ASN A 33 7.052 -4.986 -9.191 1.00 0.00 N ATOM 546 CA ASN A 33 8.205 -5.934 -9.306 1.00 0.00 C ATOM 547 C ASN A 33 7.941 -6.962 -10.411 1.00 0.00 C ATOM 548 O ASN A 33 6.829 -7.136 -10.872 1.00 0.00 O ATOM 549 CB ASN A 33 8.426 -6.664 -7.930 1.00 0.00 C ATOM 550 CG ASN A 33 9.922 -6.884 -7.701 1.00 0.00 C ATOM 551 OD1 ASN A 33 10.554 -7.722 -8.310 1.00 0.00 O ATOM 552 ND2 ASN A 33 10.518 -6.134 -6.815 1.00 0.00 N ATOM 0 H ASN A 33 6.469 -5.111 -8.363 1.00 0.00 H new ATOM 0 HA ASN A 33 9.103 -5.372 -9.564 1.00 0.00 H new ATOM 0 HB2 ASN A 33 8.007 -6.068 -7.119 1.00 0.00 H new ATOM 0 HB3 ASN A 33 7.903 -7.620 -7.926 1.00 0.00 H new ATOM 0 HD21 ASN A 33 11.515 -6.252 -6.634 1.00 0.00 H new ATOM 0 HD22 ASN A 33 9.987 -5.430 -6.303 1.00 0.00 H new ATOM 559 N LYS A 34 9.010 -7.605 -10.797 1.00 0.00 N ATOM 560 CA LYS A 34 8.936 -8.733 -11.774 1.00 0.00 C ATOM 561 C LYS A 34 8.092 -9.898 -11.228 1.00 0.00 C ATOM 562 O LYS A 34 7.623 -10.715 -11.993 1.00 0.00 O ATOM 563 CB LYS A 34 10.380 -9.192 -12.070 1.00 0.00 C ATOM 564 CG LYS A 34 10.951 -9.905 -10.822 1.00 0.00 C ATOM 565 CD LYS A 34 12.496 -9.799 -10.743 1.00 0.00 C ATOM 566 CE LYS A 34 13.184 -10.517 -11.921 1.00 0.00 C ATOM 567 NZ LYS A 34 12.674 -11.911 -12.068 1.00 0.00 N ATOM 0 H LYS A 34 9.952 -7.392 -10.470 1.00 0.00 H new ATOM 0 HA LYS A 34 8.447 -8.398 -12.689 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.392 -9.866 -12.926 1.00 0.00 H new ATOM 0 HB3 LYS A 34 11.001 -8.335 -12.330 1.00 0.00 H new ATOM 0 HG2 LYS A 34 10.512 -9.470 -9.924 1.00 0.00 H new ATOM 0 HG3 LYS A 34 10.661 -10.956 -10.841 1.00 0.00 H new ATOM 0 HD2 LYS A 34 12.788 -8.749 -10.738 1.00 0.00 H new ATOM 0 HD3 LYS A 34 12.842 -10.230 -9.804 1.00 0.00 H new ATOM 0 HE2 LYS A 34 13.008 -9.962 -12.843 1.00 0.00 H new ATOM 0 HE3 LYS A 34 14.262 -10.535 -11.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 13.304 -12.447 -12.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 12.645 -12.370 -11.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 11.716 -11.889 -12.473 1.00 0.00 H new ATOM 581 N GLY A 35 7.934 -9.934 -9.928 1.00 0.00 N ATOM 582 CA GLY A 35 7.225 -11.061 -9.253 1.00 0.00 C ATOM 583 C GLY A 35 6.478 -10.507 -8.033 1.00 0.00 C ATOM 584 O GLY A 35 6.301 -11.189 -7.042 1.00 0.00 O ATOM 0 H GLY A 35 8.275 -9.212 -9.294 1.00 0.00 H new ATOM 0 HA2 GLY A 35 6.526 -11.535 -9.942 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.938 -11.826 -8.945 1.00 0.00 H new ATOM 588 N SER A 36 6.062 -9.269 -8.166 1.00 0.00 N ATOM 589 CA SER A 36 5.293 -8.581 -7.083 1.00 0.00 C ATOM 590 C SER A 36 3.849 -9.074 -6.957 1.00 0.00 C ATOM 591 O SER A 36 3.069 -8.503 -6.220 1.00 0.00 O ATOM 592 CB SER A 36 5.242 -7.069 -7.344 1.00 0.00 C ATOM 593 OG SER A 36 4.930 -6.946 -8.722 1.00 0.00 O ATOM 0 H SER A 36 6.227 -8.698 -8.995 1.00 0.00 H new ATOM 0 HA SER A 36 5.820 -8.812 -6.157 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.487 -6.586 -6.724 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.196 -6.596 -7.111 1.00 0.00 H new ATOM 0 HG SER A 36 3.974 -6.755 -8.825 1.00 0.00 H new ATOM 599 N LEU A 37 3.512 -10.117 -7.669 1.00 0.00 N ATOM 600 CA LEU A 37 2.301 -10.879 -7.256 1.00 0.00 C ATOM 601 C LEU A 37 2.470 -11.397 -5.807 1.00 0.00 C ATOM 602 O LEU A 37 1.555 -11.327 -5.013 1.00 0.00 O ATOM 603 CB LEU A 37 2.080 -12.061 -8.268 1.00 0.00 C ATOM 604 CG LEU A 37 0.798 -11.777 -9.112 1.00 0.00 C ATOM 605 CD1 LEU A 37 0.515 -12.916 -10.143 1.00 0.00 C ATOM 606 CD2 LEU A 37 -0.427 -11.622 -8.165 1.00 0.00 C ATOM 0 H LEU A 37 4.005 -10.465 -8.492 1.00 0.00 H new ATOM 0 HA LEU A 37 1.423 -10.233 -7.273 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.946 -12.163 -8.922 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.975 -13.003 -7.729 1.00 0.00 H new ATOM 0 HG LEU A 37 0.965 -10.855 -9.668 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.386 -12.679 -10.709 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.360 -13.007 -10.826 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.373 -13.858 -9.614 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.321 -11.424 -8.756 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.565 -12.541 -7.595 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.254 -10.793 -7.479 1.00 0.00 H new ATOM 618 N VAL A 38 3.642 -11.888 -5.497 1.00 0.00 N ATOM 619 CA VAL A 38 3.929 -12.466 -4.140 1.00 0.00 C ATOM 620 C VAL A 38 4.267 -11.376 -3.103 1.00 0.00 C ATOM 621 O VAL A 38 4.356 -11.662 -1.928 1.00 0.00 O ATOM 622 CB VAL A 38 5.116 -13.462 -4.249 1.00 0.00 C ATOM 623 CG1 VAL A 38 5.285 -14.230 -2.906 1.00 0.00 C ATOM 624 CG2 VAL A 38 4.872 -14.464 -5.419 1.00 0.00 C ATOM 0 H VAL A 38 4.433 -11.915 -6.140 1.00 0.00 H new ATOM 0 HA VAL A 38 3.029 -12.977 -3.798 1.00 0.00 H new ATOM 0 HB VAL A 38 6.030 -12.905 -4.455 1.00 0.00 H new ATOM 0 HG11 VAL A 38 6.119 -14.927 -2.988 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.483 -13.520 -2.103 1.00 0.00 H new ATOM 0 HG13 VAL A 38 4.371 -14.782 -2.685 1.00 0.00 H new ATOM 0 HG21 VAL A 38 5.711 -15.157 -5.485 1.00 0.00 H new ATOM 0 HG22 VAL A 38 3.954 -15.022 -5.235 1.00 0.00 H new ATOM 0 HG23 VAL A 38 4.781 -13.914 -6.356 1.00 0.00 H new ATOM 634 N ALA A 39 4.445 -10.168 -3.577 1.00 0.00 N ATOM 635 CA ALA A 39 4.566 -8.981 -2.666 1.00 0.00 C ATOM 636 C ALA A 39 3.511 -9.066 -1.527 1.00 0.00 C ATOM 637 O ALA A 39 3.771 -8.705 -0.396 1.00 0.00 O ATOM 638 CB ALA A 39 4.348 -7.686 -3.472 1.00 0.00 C ATOM 0 H ALA A 39 4.513 -9.948 -4.571 1.00 0.00 H new ATOM 0 HA ALA A 39 5.563 -8.976 -2.226 1.00 0.00 H new ATOM 0 HB1 ALA A 39 4.436 -6.825 -2.809 1.00 0.00 H new ATOM 0 HB2 ALA A 39 5.099 -7.616 -4.259 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.354 -7.699 -3.919 1.00 0.00 H new ATOM 644 N LEU A 40 2.351 -9.556 -1.901 1.00 0.00 N ATOM 645 CA LEU A 40 1.149 -9.616 -1.013 1.00 0.00 C ATOM 646 C LEU A 40 0.731 -11.074 -0.719 1.00 0.00 C ATOM 647 O LEU A 40 -0.228 -11.308 -0.008 1.00 0.00 O ATOM 648 CB LEU A 40 0.016 -8.862 -1.721 1.00 0.00 C ATOM 649 CG LEU A 40 0.440 -7.367 -1.916 1.00 0.00 C ATOM 650 CD1 LEU A 40 -0.195 -6.755 -3.199 1.00 0.00 C ATOM 651 CD2 LEU A 40 0.069 -6.554 -0.659 1.00 0.00 C ATOM 0 H LEU A 40 2.185 -9.935 -2.833 1.00 0.00 H new ATOM 0 HA LEU A 40 1.378 -9.158 -0.051 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.196 -9.322 -2.686 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.900 -8.920 -1.132 1.00 0.00 H new ATOM 0 HG LEU A 40 1.521 -7.327 -2.052 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.121 -5.717 -3.302 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.130 -7.322 -4.072 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.282 -6.797 -3.123 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.365 -5.514 -0.798 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.008 -6.606 -0.497 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.587 -6.966 0.207 1.00 0.00 H new ATOM 663 N GLY A 41 1.467 -12.004 -1.283 1.00 0.00 N ATOM 664 CA GLY A 41 1.083 -13.450 -1.224 1.00 0.00 C ATOM 665 C GLY A 41 -0.213 -13.761 -1.983 1.00 0.00 C ATOM 666 O GLY A 41 -0.973 -14.628 -1.594 1.00 0.00 O ATOM 0 H GLY A 41 2.332 -11.817 -1.790 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.892 -14.052 -1.638 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.966 -13.746 -0.182 1.00 0.00 H new ATOM 670 N PHE A 42 -0.404 -13.033 -3.048 1.00 0.00 N ATOM 671 CA PHE A 42 -1.679 -13.095 -3.841 1.00 0.00 C ATOM 672 C PHE A 42 -1.900 -14.499 -4.435 1.00 0.00 C ATOM 673 O PHE A 42 -0.957 -15.207 -4.733 1.00 0.00 O ATOM 674 CB PHE A 42 -1.617 -12.065 -4.997 1.00 0.00 C ATOM 675 CG PHE A 42 -2.724 -10.999 -4.933 1.00 0.00 C ATOM 676 CD1 PHE A 42 -4.058 -11.354 -4.994 1.00 0.00 C ATOM 677 CD2 PHE A 42 -2.388 -9.660 -4.825 1.00 0.00 C ATOM 678 CE1 PHE A 42 -5.040 -10.386 -4.949 1.00 0.00 C ATOM 679 CE2 PHE A 42 -3.368 -8.692 -4.779 1.00 0.00 C ATOM 680 CZ PHE A 42 -4.696 -9.053 -4.843 1.00 0.00 C ATOM 0 H PHE A 42 0.286 -12.378 -3.417 1.00 0.00 H new ATOM 0 HA PHE A 42 -2.507 -12.867 -3.170 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -0.646 -11.570 -4.979 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -1.688 -12.594 -5.948 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -4.333 -12.395 -5.077 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -1.348 -9.372 -4.776 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -6.080 -10.672 -4.997 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -3.095 -7.651 -4.693 1.00 0.00 H new ATOM 0 HZ PHE A 42 -5.465 -8.296 -4.810 1.00 0.00 H new ATOM 690 N SER A 43 -3.155 -14.839 -4.588 1.00 0.00 N ATOM 691 CA SER A 43 -3.550 -16.127 -5.240 1.00 0.00 C ATOM 692 C SER A 43 -3.699 -15.934 -6.767 1.00 0.00 C ATOM 693 O SER A 43 -3.057 -15.076 -7.343 1.00 0.00 O ATOM 694 CB SER A 43 -4.884 -16.587 -4.591 1.00 0.00 C ATOM 695 OG SER A 43 -4.910 -18.000 -4.755 1.00 0.00 O ATOM 0 H SER A 43 -3.941 -14.265 -4.282 1.00 0.00 H new ATOM 0 HA SER A 43 -2.785 -16.889 -5.092 1.00 0.00 H new ATOM 0 HB2 SER A 43 -4.925 -16.312 -3.537 1.00 0.00 H new ATOM 0 HB3 SER A 43 -5.740 -16.118 -5.076 1.00 0.00 H new ATOM 0 HG SER A 43 -5.733 -18.360 -4.362 1.00 0.00 H new ATOM 701 N ASP A 44 -4.540 -16.746 -7.363 1.00 0.00 N ATOM 702 CA ASP A 44 -5.018 -16.529 -8.766 1.00 0.00 C ATOM 703 C ASP A 44 -5.326 -15.059 -9.103 1.00 0.00 C ATOM 704 O ASP A 44 -5.999 -14.368 -8.361 1.00 0.00 O ATOM 705 CB ASP A 44 -6.283 -17.384 -8.983 1.00 0.00 C ATOM 706 CG ASP A 44 -6.656 -17.356 -10.479 1.00 0.00 C ATOM 707 OD1 ASP A 44 -7.394 -16.453 -10.840 1.00 0.00 O ATOM 708 OD2 ASP A 44 -6.181 -18.237 -11.178 1.00 0.00 O ATOM 0 H ASP A 44 -4.927 -17.578 -6.919 1.00 0.00 H new ATOM 0 HA ASP A 44 -4.208 -16.824 -9.433 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -6.105 -18.409 -8.658 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -7.106 -16.998 -8.382 1.00 0.00 H new ATOM 713 N GLY A 45 -4.810 -14.657 -10.237 1.00 0.00 N ATOM 714 CA GLY A 45 -4.781 -13.219 -10.627 1.00 0.00 C ATOM 715 C GLY A 45 -3.813 -13.049 -11.798 1.00 0.00 C ATOM 716 O GLY A 45 -2.610 -13.067 -11.620 1.00 0.00 O ATOM 0 H GLY A 45 -4.397 -15.286 -10.926 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -5.779 -12.884 -10.910 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.466 -12.605 -9.784 1.00 0.00 H new ATOM 720 N GLN A 46 -4.391 -12.892 -12.962 1.00 0.00 N ATOM 721 CA GLN A 46 -3.617 -12.594 -14.213 1.00 0.00 C ATOM 722 C GLN A 46 -2.854 -11.256 -14.122 1.00 0.00 C ATOM 723 O GLN A 46 -2.168 -10.888 -15.057 1.00 0.00 O ATOM 724 CB GLN A 46 -4.615 -12.557 -15.416 1.00 0.00 C ATOM 725 CG GLN A 46 -4.192 -13.554 -16.529 1.00 0.00 C ATOM 726 CD GLN A 46 -2.970 -13.031 -17.307 1.00 0.00 C ATOM 727 OE1 GLN A 46 -2.864 -11.866 -17.632 1.00 0.00 O ATOM 728 NE2 GLN A 46 -2.020 -13.864 -17.629 1.00 0.00 N ATOM 0 H GLN A 46 -5.399 -12.960 -13.104 1.00 0.00 H new ATOM 0 HA GLN A 46 -2.871 -13.377 -14.352 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -5.618 -12.802 -15.067 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -4.658 -11.548 -15.825 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -3.957 -14.521 -16.085 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -5.024 -13.712 -17.216 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -2.092 -14.846 -17.364 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -1.205 -13.533 -18.145 1.00 0.00 H new ATOM 737 N GLU A 47 -2.993 -10.571 -13.005 1.00 0.00 N ATOM 738 CA GLU A 47 -2.256 -9.287 -12.752 1.00 0.00 C ATOM 739 C GLU A 47 -2.834 -8.182 -13.652 1.00 0.00 C ATOM 740 O GLU A 47 -2.342 -7.070 -13.676 1.00 0.00 O ATOM 741 CB GLU A 47 -0.735 -9.495 -13.053 1.00 0.00 C ATOM 742 CG GLU A 47 0.141 -9.038 -11.863 1.00 0.00 C ATOM 743 CD GLU A 47 0.206 -7.500 -11.749 1.00 0.00 C ATOM 744 OE1 GLU A 47 0.382 -6.863 -12.777 1.00 0.00 O ATOM 745 OE2 GLU A 47 0.078 -7.045 -10.623 1.00 0.00 O ATOM 0 H GLU A 47 -3.603 -10.858 -12.240 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.372 -8.990 -11.710 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.545 -10.547 -13.265 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.459 -8.935 -13.947 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.259 -9.453 -10.938 1.00 0.00 H new ATOM 0 HG3 GLU A 47 1.149 -9.436 -11.981 1.00 0.00 H new ATOM 752 N ALA A 48 -3.877 -8.543 -14.359 1.00 0.00 N ATOM 753 CA ALA A 48 -4.443 -7.701 -15.450 1.00 0.00 C ATOM 754 C ALA A 48 -5.923 -7.420 -15.129 1.00 0.00 C ATOM 755 O ALA A 48 -6.712 -7.136 -16.011 1.00 0.00 O ATOM 756 CB ALA A 48 -4.277 -8.472 -16.785 1.00 0.00 C ATOM 0 H ALA A 48 -4.375 -9.422 -14.215 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.928 -6.744 -15.537 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -4.684 -7.877 -17.602 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.219 -8.662 -16.966 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -4.811 -9.420 -16.726 1.00 0.00 H new ATOM 762 N LYS A 49 -6.245 -7.514 -13.862 1.00 0.00 N ATOM 763 CA LYS A 49 -7.652 -7.357 -13.385 1.00 0.00 C ATOM 764 C LYS A 49 -7.720 -6.360 -12.198 1.00 0.00 C ATOM 765 O LYS A 49 -8.002 -6.744 -11.080 1.00 0.00 O ATOM 766 CB LYS A 49 -8.151 -8.782 -12.998 1.00 0.00 C ATOM 767 CG LYS A 49 -9.504 -9.073 -13.679 1.00 0.00 C ATOM 768 CD LYS A 49 -9.295 -9.272 -15.205 1.00 0.00 C ATOM 769 CE LYS A 49 -10.065 -10.520 -15.687 1.00 0.00 C ATOM 770 NZ LYS A 49 -9.498 -11.754 -15.071 1.00 0.00 N ATOM 0 H LYS A 49 -5.571 -7.698 -13.119 1.00 0.00 H new ATOM 0 HA LYS A 49 -8.296 -6.937 -14.158 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.415 -9.528 -13.300 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -8.256 -8.858 -11.916 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -9.955 -9.966 -13.245 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -10.195 -8.249 -13.502 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -9.641 -8.391 -15.745 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -8.233 -9.384 -15.423 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -11.119 -10.427 -15.426 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -10.011 -10.591 -16.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -9.674 -12.566 -15.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -8.473 -11.636 -14.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -9.951 -11.922 -14.150 1.00 0.00 H new ATOM 784 N PRO A 50 -7.468 -5.097 -12.471 1.00 0.00 N ATOM 785 CA PRO A 50 -7.619 -4.016 -11.460 1.00 0.00 C ATOM 786 C PRO A 50 -9.056 -3.937 -10.922 1.00 0.00 C ATOM 787 O PRO A 50 -9.288 -3.451 -9.833 1.00 0.00 O ATOM 788 CB PRO A 50 -7.210 -2.724 -12.161 1.00 0.00 C ATOM 789 CG PRO A 50 -6.728 -3.104 -13.585 1.00 0.00 C ATOM 790 CD PRO A 50 -7.010 -4.598 -13.793 1.00 0.00 C ATOM 0 HA PRO A 50 -6.993 -4.206 -10.588 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -8.051 -2.032 -12.212 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -6.416 -2.222 -11.608 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -7.248 -2.509 -14.336 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -5.664 -2.897 -13.696 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.772 -4.752 -14.557 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -6.115 -5.125 -14.124 1.00 0.00 H new ATOM 798 N GLU A 51 -9.974 -4.424 -11.719 1.00 0.00 N ATOM 799 CA GLU A 51 -11.419 -4.406 -11.341 1.00 0.00 C ATOM 800 C GLU A 51 -11.664 -5.180 -10.036 1.00 0.00 C ATOM 801 O GLU A 51 -12.315 -4.676 -9.143 1.00 0.00 O ATOM 802 CB GLU A 51 -12.218 -5.024 -12.494 1.00 0.00 C ATOM 803 CG GLU A 51 -12.293 -4.021 -13.667 1.00 0.00 C ATOM 804 CD GLU A 51 -13.120 -4.640 -14.811 1.00 0.00 C ATOM 805 OE1 GLU A 51 -12.698 -5.683 -15.288 1.00 0.00 O ATOM 806 OE2 GLU A 51 -14.128 -4.039 -15.146 1.00 0.00 O ATOM 0 H GLU A 51 -9.779 -4.840 -12.630 1.00 0.00 H new ATOM 0 HA GLU A 51 -11.740 -3.379 -11.166 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -11.745 -5.949 -12.823 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -13.222 -5.281 -12.157 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -12.750 -3.089 -13.335 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -11.290 -3.778 -14.018 1.00 0.00 H new ATOM 813 N GLU A 52 -11.137 -6.377 -9.968 1.00 0.00 N ATOM 814 CA GLU A 52 -11.386 -7.258 -8.778 1.00 0.00 C ATOM 815 C GLU A 52 -10.319 -7.035 -7.699 1.00 0.00 C ATOM 816 O GLU A 52 -10.611 -7.098 -6.521 1.00 0.00 O ATOM 817 CB GLU A 52 -11.374 -8.741 -9.223 1.00 0.00 C ATOM 818 CG GLU A 52 -10.247 -8.992 -10.239 1.00 0.00 C ATOM 819 CD GLU A 52 -9.944 -10.496 -10.350 1.00 0.00 C ATOM 820 OE1 GLU A 52 -10.743 -11.166 -10.987 1.00 0.00 O ATOM 821 OE2 GLU A 52 -8.929 -10.890 -9.794 1.00 0.00 O ATOM 0 H GLU A 52 -10.542 -6.787 -10.688 1.00 0.00 H new ATOM 0 HA GLU A 52 -12.359 -7.005 -8.357 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -11.238 -9.386 -8.355 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -12.335 -9.001 -9.666 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -10.536 -8.601 -11.215 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.348 -8.456 -9.934 1.00 0.00 H new ATOM 828 N ILE A 53 -9.115 -6.780 -8.140 1.00 0.00 N ATOM 829 CA ILE A 53 -8.024 -6.372 -7.203 1.00 0.00 C ATOM 830 C ILE A 53 -8.375 -5.020 -6.558 1.00 0.00 C ATOM 831 O ILE A 53 -8.721 -4.078 -7.244 1.00 0.00 O ATOM 832 CB ILE A 53 -6.700 -6.265 -7.999 1.00 0.00 C ATOM 833 CG1 ILE A 53 -6.379 -7.636 -8.675 1.00 0.00 C ATOM 834 CG2 ILE A 53 -5.543 -5.870 -7.037 1.00 0.00 C ATOM 835 CD1 ILE A 53 -5.377 -7.450 -9.838 1.00 0.00 C ATOM 0 H ILE A 53 -8.837 -6.837 -9.120 1.00 0.00 H new ATOM 0 HA ILE A 53 -7.911 -7.113 -6.411 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.804 -5.501 -8.770 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -5.964 -8.323 -7.937 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -7.298 -8.087 -9.049 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.612 -5.795 -7.599 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -5.766 -4.908 -6.575 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.439 -6.629 -6.262 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -5.167 -8.417 -10.295 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.806 -6.781 -10.584 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.451 -7.021 -9.455 1.00 0.00 H new ATOM 847 N GLY A 54 -8.275 -4.976 -5.253 1.00 0.00 N ATOM 848 CA GLY A 54 -8.676 -3.750 -4.498 1.00 0.00 C ATOM 849 C GLY A 54 -7.485 -2.813 -4.369 1.00 0.00 C ATOM 850 O GLY A 54 -7.279 -1.933 -5.181 1.00 0.00 O ATOM 0 H GLY A 54 -7.930 -5.742 -4.675 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -9.493 -3.245 -5.013 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -9.043 -4.024 -3.509 1.00 0.00 H new ATOM 854 N TRP A 55 -6.742 -3.056 -3.332 1.00 0.00 N ATOM 855 CA TRP A 55 -5.523 -2.247 -3.038 1.00 0.00 C ATOM 856 C TRP A 55 -4.308 -3.013 -3.555 1.00 0.00 C ATOM 857 O TRP A 55 -4.100 -4.157 -3.200 1.00 0.00 O ATOM 858 CB TRP A 55 -5.448 -2.031 -1.519 1.00 0.00 C ATOM 859 CG TRP A 55 -6.465 -0.941 -1.155 1.00 0.00 C ATOM 860 CD1 TRP A 55 -7.710 -1.168 -0.654 1.00 0.00 C ATOM 861 CD2 TRP A 55 -6.278 0.393 -1.290 1.00 0.00 C ATOM 862 NE1 TRP A 55 -8.195 0.047 -0.520 1.00 0.00 N ATOM 863 CE2 TRP A 55 -7.415 1.055 -0.873 1.00 0.00 C ATOM 864 CE3 TRP A 55 -5.194 1.122 -1.743 1.00 0.00 C ATOM 865 CZ2 TRP A 55 -7.473 2.432 -0.912 1.00 0.00 C ATOM 866 CZ3 TRP A 55 -5.255 2.498 -1.782 1.00 0.00 C ATOM 867 CH2 TRP A 55 -6.392 3.154 -1.366 1.00 0.00 C ATOM 0 H TRP A 55 -6.929 -3.798 -2.657 1.00 0.00 H new ATOM 0 HA TRP A 55 -5.553 -1.273 -3.527 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -5.673 -2.957 -0.989 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -4.443 -1.731 -1.224 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -8.182 -2.112 -0.424 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -9.135 0.206 -0.158 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -4.298 0.612 -2.067 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -8.366 2.944 -0.586 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -4.408 3.064 -2.140 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -6.436 4.233 -1.396 1.00 0.00 H new ATOM 878 N LEU A 56 -3.545 -2.354 -4.388 1.00 0.00 N ATOM 879 CA LEU A 56 -2.254 -2.930 -4.860 1.00 0.00 C ATOM 880 C LEU A 56 -1.168 -1.862 -4.736 1.00 0.00 C ATOM 881 O LEU A 56 -1.424 -0.687 -4.930 1.00 0.00 O ATOM 882 CB LEU A 56 -2.414 -3.410 -6.347 1.00 0.00 C ATOM 883 CG LEU A 56 -2.860 -2.288 -7.337 1.00 0.00 C ATOM 884 CD1 LEU A 56 -2.602 -2.774 -8.802 1.00 0.00 C ATOM 885 CD2 LEU A 56 -4.362 -1.921 -7.149 1.00 0.00 C ATOM 0 H LEU A 56 -3.765 -1.432 -4.764 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.970 -3.791 -4.254 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.465 -3.823 -6.688 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.144 -4.219 -6.379 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.278 -1.389 -7.132 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.910 -1.998 -9.502 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.540 -2.982 -8.935 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -3.176 -3.681 -8.991 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.636 -1.137 -7.855 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.977 -2.803 -7.329 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.525 -1.566 -6.131 1.00 0.00 H new ATOM 897 N ASN A 57 0.011 -2.320 -4.404 1.00 0.00 N ATOM 898 CA ASN A 57 1.156 -1.396 -4.158 1.00 0.00 C ATOM 899 C ASN A 57 1.939 -1.225 -5.455 1.00 0.00 C ATOM 900 O ASN A 57 2.014 -2.137 -6.255 1.00 0.00 O ATOM 901 CB ASN A 57 2.069 -1.994 -3.068 1.00 0.00 C ATOM 902 CG ASN A 57 2.783 -0.851 -2.332 1.00 0.00 C ATOM 903 OD1 ASN A 57 2.056 0.069 -1.762 1.00 0.00 O flip ATOM 904 ND2 ASN A 57 3.994 -0.783 -2.272 1.00 0.00 N flip ATOM 0 H ASN A 57 0.231 -3.310 -4.292 1.00 0.00 H new ATOM 0 HA ASN A 57 0.790 -0.426 -3.823 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.480 -2.584 -2.366 1.00 0.00 H new ATOM 0 HB3 ASN A 57 2.799 -2.667 -3.516 1.00 0.00 H new ATOM 0 HD21 ASN A 57 4.568 -1.500 -2.716 1.00 0.00 H new ATOM 0 HD22 ASN A 57 4.437 -0.009 -1.777 1.00 0.00 H new ATOM 911 N GLY A 58 2.500 -0.056 -5.621 1.00 0.00 N ATOM 912 CA GLY A 58 3.374 0.202 -6.803 1.00 0.00 C ATOM 913 C GLY A 58 4.322 1.368 -6.528 1.00 0.00 C ATOM 914 O GLY A 58 4.038 2.238 -5.727 1.00 0.00 O ATOM 0 H GLY A 58 2.390 0.734 -4.986 1.00 0.00 H new ATOM 0 HA2 GLY A 58 3.949 -0.693 -7.039 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.759 0.424 -7.675 1.00 0.00 H new ATOM 918 N TYR A 59 5.426 1.332 -7.224 1.00 0.00 N ATOM 919 CA TYR A 59 6.440 2.426 -7.152 1.00 0.00 C ATOM 920 C TYR A 59 6.094 3.484 -8.218 1.00 0.00 C ATOM 921 O TYR A 59 6.012 3.170 -9.389 1.00 0.00 O ATOM 922 CB TYR A 59 7.829 1.809 -7.425 1.00 0.00 C ATOM 923 CG TYR A 59 8.864 2.317 -6.421 1.00 0.00 C ATOM 924 CD1 TYR A 59 9.343 3.608 -6.506 1.00 0.00 C ATOM 925 CD2 TYR A 59 9.333 1.484 -5.426 1.00 0.00 C ATOM 926 CE1 TYR A 59 10.280 4.060 -5.604 1.00 0.00 C ATOM 927 CE2 TYR A 59 10.269 1.936 -4.524 1.00 0.00 C ATOM 928 CZ TYR A 59 10.749 3.227 -4.607 1.00 0.00 C ATOM 929 OH TYR A 59 11.687 3.676 -3.701 1.00 0.00 O ATOM 0 H TYR A 59 5.674 0.571 -7.856 1.00 0.00 H new ATOM 0 HA TYR A 59 6.444 2.903 -6.172 1.00 0.00 H new ATOM 0 HB2 TYR A 59 7.765 0.722 -7.368 1.00 0.00 H new ATOM 0 HB3 TYR A 59 8.148 2.057 -8.437 1.00 0.00 H new ATOM 0 HD1 TYR A 59 8.982 4.266 -7.282 1.00 0.00 H new ATOM 0 HD2 TYR A 59 8.964 0.472 -5.355 1.00 0.00 H new ATOM 0 HE1 TYR A 59 10.650 5.072 -5.676 1.00 0.00 H new ATOM 0 HE2 TYR A 59 10.629 1.277 -3.748 1.00 0.00 H new ATOM 0 HH TYR A 59 11.902 2.958 -3.069 1.00 0.00 H new ATOM 939 N ASN A 60 5.901 4.701 -7.771 1.00 0.00 N ATOM 940 CA ASN A 60 5.623 5.850 -8.685 1.00 0.00 C ATOM 941 C ASN A 60 6.914 6.638 -8.999 1.00 0.00 C ATOM 942 O ASN A 60 7.103 7.764 -8.572 1.00 0.00 O ATOM 943 CB ASN A 60 4.567 6.734 -7.986 1.00 0.00 C ATOM 944 CG ASN A 60 3.865 7.623 -9.013 1.00 0.00 C ATOM 945 OD1 ASN A 60 3.683 7.247 -10.152 1.00 0.00 O ATOM 946 ND2 ASN A 60 3.454 8.807 -8.649 1.00 0.00 N ATOM 0 H ASN A 60 5.926 4.951 -6.782 1.00 0.00 H new ATOM 0 HA ASN A 60 5.246 5.500 -9.646 1.00 0.00 H new ATOM 0 HB2 ASN A 60 3.836 6.107 -7.476 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.044 7.351 -7.225 1.00 0.00 H new ATOM 0 HD21 ASN A 60 2.982 9.412 -9.321 1.00 0.00 H new ATOM 0 HD22 ASN A 60 3.605 9.127 -7.692 1.00 0.00 H new ATOM 953 N GLU A 61 7.762 5.983 -9.756 1.00 0.00 N ATOM 954 CA GLU A 61 9.080 6.564 -10.177 1.00 0.00 C ATOM 955 C GLU A 61 8.931 7.954 -10.821 1.00 0.00 C ATOM 956 O GLU A 61 9.850 8.748 -10.772 1.00 0.00 O ATOM 957 CB GLU A 61 9.743 5.606 -11.185 1.00 0.00 C ATOM 958 CG GLU A 61 10.188 4.312 -10.474 1.00 0.00 C ATOM 959 CD GLU A 61 11.161 3.527 -11.383 1.00 0.00 C ATOM 960 OE1 GLU A 61 12.316 3.924 -11.415 1.00 0.00 O ATOM 961 OE2 GLU A 61 10.697 2.576 -11.994 1.00 0.00 O ATOM 0 H GLU A 61 7.591 5.042 -10.110 1.00 0.00 H new ATOM 0 HA GLU A 61 9.694 6.683 -9.284 1.00 0.00 H new ATOM 0 HB2 GLU A 61 9.043 5.368 -11.986 1.00 0.00 H new ATOM 0 HB3 GLU A 61 10.603 6.090 -11.647 1.00 0.00 H new ATOM 0 HG2 GLU A 61 10.673 4.554 -9.528 1.00 0.00 H new ATOM 0 HG3 GLU A 61 9.319 3.698 -10.239 1.00 0.00 H new ATOM 968 N THR A 62 7.780 8.198 -11.401 1.00 0.00 N ATOM 969 CA THR A 62 7.454 9.547 -11.971 1.00 0.00 C ATOM 970 C THR A 62 7.686 10.688 -10.969 1.00 0.00 C ATOM 971 O THR A 62 8.358 11.655 -11.272 1.00 0.00 O ATOM 972 CB THR A 62 5.980 9.562 -12.420 1.00 0.00 C ATOM 973 OG1 THR A 62 5.216 9.234 -11.266 1.00 0.00 O ATOM 974 CG2 THR A 62 5.675 8.442 -13.439 1.00 0.00 C ATOM 0 H THR A 62 7.038 7.506 -11.506 1.00 0.00 H new ATOM 0 HA THR A 62 8.124 9.714 -12.815 1.00 0.00 H new ATOM 0 HB THR A 62 5.757 10.532 -12.865 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.355 8.856 -11.541 1.00 0.00 H new ATOM 0 HG21 THR A 62 4.625 8.489 -13.728 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.301 8.573 -14.322 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.883 7.472 -12.987 1.00 0.00 H new ATOM 982 N THR A 63 7.111 10.523 -9.806 1.00 0.00 N ATOM 983 CA THR A 63 7.295 11.511 -8.697 1.00 0.00 C ATOM 984 C THR A 63 8.482 11.126 -7.800 1.00 0.00 C ATOM 985 O THR A 63 8.753 11.798 -6.824 1.00 0.00 O ATOM 986 CB THR A 63 6.001 11.568 -7.852 1.00 0.00 C ATOM 987 OG1 THR A 63 5.709 10.223 -7.489 1.00 0.00 O ATOM 988 CG2 THR A 63 4.789 12.041 -8.690 1.00 0.00 C ATOM 0 H THR A 63 6.511 9.732 -9.573 1.00 0.00 H new ATOM 0 HA THR A 63 7.504 12.488 -9.132 1.00 0.00 H new ATOM 0 HB THR A 63 6.154 12.248 -7.014 1.00 0.00 H new ATOM 0 HG1 THR A 63 5.015 10.214 -6.798 1.00 0.00 H new ATOM 0 HG21 THR A 63 3.900 12.068 -8.060 1.00 0.00 H new ATOM 0 HG22 THR A 63 4.985 13.039 -9.083 1.00 0.00 H new ATOM 0 HG23 THR A 63 4.627 11.350 -9.518 1.00 0.00 H new ATOM 996 N GLY A 64 9.155 10.059 -8.158 1.00 0.00 N ATOM 997 CA GLY A 64 10.310 9.576 -7.340 1.00 0.00 C ATOM 998 C GLY A 64 9.842 9.119 -5.956 1.00 0.00 C ATOM 999 O GLY A 64 10.572 9.213 -4.990 1.00 0.00 O ATOM 0 H GLY A 64 8.952 9.500 -8.986 1.00 0.00 H new ATOM 0 HA2 GLY A 64 10.805 8.751 -7.852 1.00 0.00 H new ATOM 0 HA3 GLY A 64 11.046 10.373 -7.235 1.00 0.00 H new ATOM 1003 N GLU A 65 8.627 8.638 -5.922 1.00 0.00 N ATOM 1004 CA GLU A 65 7.995 8.177 -4.651 1.00 0.00 C ATOM 1005 C GLU A 65 7.418 6.768 -4.847 1.00 0.00 C ATOM 1006 O GLU A 65 7.489 6.209 -5.924 1.00 0.00 O ATOM 1007 CB GLU A 65 6.884 9.174 -4.277 1.00 0.00 C ATOM 1008 CG GLU A 65 7.506 10.382 -3.545 1.00 0.00 C ATOM 1009 CD GLU A 65 6.408 11.421 -3.242 1.00 0.00 C ATOM 1010 OE1 GLU A 65 5.855 11.927 -4.207 1.00 0.00 O ATOM 1011 OE2 GLU A 65 6.184 11.655 -2.064 1.00 0.00 O ATOM 0 H GLU A 65 8.031 8.543 -6.745 1.00 0.00 H new ATOM 0 HA GLU A 65 8.731 8.135 -3.848 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.362 9.507 -5.174 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.145 8.689 -3.639 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.978 10.055 -2.618 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.286 10.831 -4.160 1.00 0.00 H new ATOM 1018 N ARG A 66 6.866 6.245 -3.782 1.00 0.00 N ATOM 1019 CA ARG A 66 6.228 4.896 -3.808 1.00 0.00 C ATOM 1020 C ARG A 66 5.010 4.929 -2.875 1.00 0.00 C ATOM 1021 O ARG A 66 5.021 5.634 -1.883 1.00 0.00 O ATOM 1022 CB ARG A 66 7.277 3.847 -3.343 1.00 0.00 C ATOM 1023 CG ARG A 66 7.642 4.030 -1.842 1.00 0.00 C ATOM 1024 CD ARG A 66 9.032 3.398 -1.555 1.00 0.00 C ATOM 1025 NE ARG A 66 9.067 2.900 -0.145 1.00 0.00 N ATOM 1026 CZ ARG A 66 9.583 1.727 0.120 1.00 0.00 C ATOM 1027 NH1 ARG A 66 8.841 0.664 -0.016 1.00 0.00 N ATOM 1028 NH2 ARG A 66 10.824 1.648 0.512 1.00 0.00 N ATOM 0 H ARG A 66 6.831 6.709 -2.874 1.00 0.00 H new ATOM 0 HA ARG A 66 5.894 4.625 -4.809 1.00 0.00 H new ATOM 0 HB2 ARG A 66 6.884 2.843 -3.503 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.177 3.938 -3.951 1.00 0.00 H new ATOM 0 HG2 ARG A 66 7.656 5.090 -1.589 1.00 0.00 H new ATOM 0 HG3 ARG A 66 6.883 3.562 -1.215 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.221 2.578 -2.247 1.00 0.00 H new ATOM 0 HD3 ARG A 66 9.819 4.136 -1.712 1.00 0.00 H new ATOM 0 HE ARG A 66 8.689 3.474 0.609 1.00 0.00 H new ATOM 0 HH11 ARG A 66 7.873 0.754 -0.325 1.00 0.00 H new ATOM 0 HH12 ARG A 66 9.228 -0.258 0.187 1.00 0.00 H new ATOM 0 HH21 ARG A 66 11.383 2.496 0.610 1.00 0.00 H new ATOM 0 HH22 ARG A 66 11.236 0.739 0.721 1.00 0.00 H new ATOM 1042 N GLY A 67 3.995 4.176 -3.210 1.00 0.00 N ATOM 1043 CA GLY A 67 2.918 3.932 -2.205 1.00 0.00 C ATOM 1044 C GLY A 67 1.825 2.985 -2.690 1.00 0.00 C ATOM 1045 O GLY A 67 1.989 2.256 -3.648 1.00 0.00 O ATOM 0 H GLY A 67 3.865 3.727 -4.117 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.365 3.522 -1.300 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.465 4.885 -1.933 1.00 0.00 H new ATOM 1049 N ASP A 68 0.732 3.049 -1.972 1.00 0.00 N ATOM 1050 CA ASP A 68 -0.446 2.172 -2.257 1.00 0.00 C ATOM 1051 C ASP A 68 -1.473 2.966 -3.074 1.00 0.00 C ATOM 1052 O ASP A 68 -1.528 4.177 -2.975 1.00 0.00 O ATOM 1053 CB ASP A 68 -1.097 1.713 -0.928 1.00 0.00 C ATOM 1054 CG ASP A 68 -0.036 1.329 0.125 1.00 0.00 C ATOM 1055 OD1 ASP A 68 0.525 2.253 0.694 1.00 0.00 O ATOM 1056 OD2 ASP A 68 0.151 0.138 0.305 1.00 0.00 O ATOM 0 H ASP A 68 0.604 3.685 -1.185 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.118 1.296 -2.816 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.726 2.512 -0.536 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.747 0.859 -1.117 1.00 0.00 H new ATOM 1061 N PHE A 69 -2.256 2.265 -3.857 1.00 0.00 N ATOM 1062 CA PHE A 69 -3.363 2.931 -4.616 1.00 0.00 C ATOM 1063 C PHE A 69 -4.479 1.909 -4.917 1.00 0.00 C ATOM 1064 O PHE A 69 -4.196 0.730 -5.009 1.00 0.00 O ATOM 1065 CB PHE A 69 -2.781 3.512 -5.925 1.00 0.00 C ATOM 1066 CG PHE A 69 -2.139 2.402 -6.777 1.00 0.00 C ATOM 1067 CD1 PHE A 69 -0.899 1.888 -6.448 1.00 0.00 C ATOM 1068 CD2 PHE A 69 -2.797 1.908 -7.886 1.00 0.00 C ATOM 1069 CE1 PHE A 69 -0.333 0.896 -7.219 1.00 0.00 C ATOM 1070 CE2 PHE A 69 -2.229 0.916 -8.656 1.00 0.00 C ATOM 1071 CZ PHE A 69 -0.994 0.410 -8.322 1.00 0.00 C ATOM 0 H PHE A 69 -2.177 1.259 -4.004 1.00 0.00 H new ATOM 0 HA PHE A 69 -3.796 3.738 -4.025 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -3.571 4.002 -6.494 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -2.037 4.274 -5.691 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -0.372 2.265 -5.584 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -3.766 2.303 -8.153 1.00 0.00 H new ATOM 0 HE1 PHE A 69 0.636 0.498 -6.955 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -2.753 0.536 -9.521 1.00 0.00 H new ATOM 0 HZ PHE A 69 -0.545 -0.366 -8.924 1.00 0.00 H new ATOM 1081 N PRO A 70 -5.708 2.365 -5.062 1.00 0.00 N ATOM 1082 CA PRO A 70 -6.847 1.480 -5.429 1.00 0.00 C ATOM 1083 C PRO A 70 -6.693 0.900 -6.844 1.00 0.00 C ATOM 1084 O PRO A 70 -5.887 1.375 -7.620 1.00 0.00 O ATOM 1085 CB PRO A 70 -8.105 2.341 -5.302 1.00 0.00 C ATOM 1086 CG PRO A 70 -7.643 3.797 -5.020 1.00 0.00 C ATOM 1087 CD PRO A 70 -6.110 3.788 -4.878 1.00 0.00 C ATOM 0 HA PRO A 70 -6.895 0.612 -4.771 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -8.695 2.296 -6.217 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -8.740 1.976 -4.495 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -7.947 4.458 -5.832 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -8.108 4.175 -4.110 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -5.642 4.429 -5.625 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -5.803 4.161 -3.901 1.00 0.00 H new ATOM 1095 N GLY A 71 -7.478 -0.108 -7.130 1.00 0.00 N ATOM 1096 CA GLY A 71 -7.456 -0.757 -8.476 1.00 0.00 C ATOM 1097 C GLY A 71 -8.494 -0.134 -9.420 1.00 0.00 C ATOM 1098 O GLY A 71 -8.584 -0.510 -10.571 1.00 0.00 O ATOM 0 H GLY A 71 -8.145 -0.516 -6.475 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.462 -0.659 -8.912 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.654 -1.824 -8.370 1.00 0.00 H new ATOM 1102 N THR A 72 -9.251 0.805 -8.912 1.00 0.00 N ATOM 1103 CA THR A 72 -10.478 1.292 -9.603 1.00 0.00 C ATOM 1104 C THR A 72 -10.157 2.553 -10.401 1.00 0.00 C ATOM 1105 O THR A 72 -10.707 2.793 -11.458 1.00 0.00 O ATOM 1106 CB THR A 72 -11.559 1.594 -8.545 1.00 0.00 C ATOM 1107 OG1 THR A 72 -10.891 1.850 -7.314 1.00 0.00 O ATOM 1108 CG2 THR A 72 -12.432 0.358 -8.279 1.00 0.00 C ATOM 0 H THR A 72 -9.062 1.265 -8.022 1.00 0.00 H new ATOM 0 HA THR A 72 -10.843 0.529 -10.291 1.00 0.00 H new ATOM 0 HB THR A 72 -12.168 2.425 -8.901 1.00 0.00 H new ATOM 0 HG1 THR A 72 -11.552 2.048 -6.618 1.00 0.00 H new ATOM 0 HG21 THR A 72 -13.186 0.599 -7.529 1.00 0.00 H new ATOM 0 HG22 THR A 72 -12.924 0.054 -9.203 1.00 0.00 H new ATOM 0 HG23 THR A 72 -11.807 -0.458 -7.916 1.00 0.00 H new ATOM 1116 N TYR A 73 -9.260 3.309 -9.840 1.00 0.00 N ATOM 1117 CA TYR A 73 -8.886 4.644 -10.406 1.00 0.00 C ATOM 1118 C TYR A 73 -7.714 4.530 -11.391 1.00 0.00 C ATOM 1119 O TYR A 73 -7.209 5.529 -11.865 1.00 0.00 O ATOM 1120 CB TYR A 73 -8.519 5.569 -9.234 1.00 0.00 C ATOM 1121 CG TYR A 73 -9.815 6.092 -8.604 1.00 0.00 C ATOM 1122 CD1 TYR A 73 -10.414 7.242 -9.081 1.00 0.00 C ATOM 1123 CD2 TYR A 73 -10.401 5.415 -7.555 1.00 0.00 C ATOM 1124 CE1 TYR A 73 -11.580 7.709 -8.513 1.00 0.00 C ATOM 1125 CE2 TYR A 73 -11.566 5.881 -6.987 1.00 0.00 C ATOM 1126 CZ TYR A 73 -12.164 7.031 -7.462 1.00 0.00 C ATOM 1127 OH TYR A 73 -13.331 7.499 -6.891 1.00 0.00 O ATOM 0 H TYR A 73 -8.754 3.056 -8.991 1.00 0.00 H new ATOM 0 HA TYR A 73 -9.729 5.052 -10.964 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -7.930 5.027 -8.494 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -7.906 6.399 -9.584 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -9.966 7.779 -9.904 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -9.943 4.513 -7.176 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -12.039 8.610 -8.892 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -12.015 5.343 -6.165 1.00 0.00 H new ATOM 0 HH TYR A 73 -13.603 6.900 -6.165 1.00 0.00 H new ATOM 1137 N VAL A 74 -7.329 3.311 -11.665 1.00 0.00 N ATOM 1138 CA VAL A 74 -6.179 3.035 -12.579 1.00 0.00 C ATOM 1139 C VAL A 74 -6.624 2.030 -13.657 1.00 0.00 C ATOM 1140 O VAL A 74 -7.770 1.623 -13.698 1.00 0.00 O ATOM 1141 CB VAL A 74 -5.000 2.467 -11.736 1.00 0.00 C ATOM 1142 CG1 VAL A 74 -4.557 3.516 -10.675 1.00 0.00 C ATOM 1143 CG2 VAL A 74 -5.417 1.136 -11.031 1.00 0.00 C ATOM 0 H VAL A 74 -7.774 2.475 -11.285 1.00 0.00 H new ATOM 0 HA VAL A 74 -5.849 3.948 -13.075 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.165 2.256 -12.404 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.732 3.113 -10.088 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.234 4.428 -11.178 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.395 3.743 -10.016 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.579 0.756 -10.447 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -6.264 1.324 -10.371 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -5.700 0.399 -11.783 1.00 0.00 H new ATOM 1153 N GLU A 75 -5.689 1.669 -14.497 1.00 0.00 N ATOM 1154 CA GLU A 75 -5.936 0.660 -15.573 1.00 0.00 C ATOM 1155 C GLU A 75 -4.615 -0.060 -15.849 1.00 0.00 C ATOM 1156 O GLU A 75 -3.667 0.554 -16.295 1.00 0.00 O ATOM 1157 CB GLU A 75 -6.434 1.401 -16.823 1.00 0.00 C ATOM 1158 CG GLU A 75 -6.697 0.429 -18.002 1.00 0.00 C ATOM 1159 CD GLU A 75 -8.024 0.812 -18.688 1.00 0.00 C ATOM 1160 OE1 GLU A 75 -7.991 1.771 -19.443 1.00 0.00 O ATOM 1161 OE2 GLU A 75 -8.998 0.127 -18.419 1.00 0.00 O ATOM 0 H GLU A 75 -4.739 2.041 -14.482 1.00 0.00 H new ATOM 0 HA GLU A 75 -6.688 -0.073 -15.280 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.351 1.940 -16.585 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.696 2.145 -17.123 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -5.877 0.476 -18.718 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -6.744 -0.598 -17.639 1.00 0.00 H new ATOM 1168 N TYR A 76 -4.589 -1.341 -15.579 1.00 0.00 N ATOM 1169 CA TYR A 76 -3.477 -2.208 -16.085 1.00 0.00 C ATOM 1170 C TYR A 76 -3.282 -1.957 -17.587 1.00 0.00 C ATOM 1171 O TYR A 76 -4.236 -2.005 -18.341 1.00 0.00 O ATOM 1172 CB TYR A 76 -3.848 -3.686 -15.822 1.00 0.00 C ATOM 1173 CG TYR A 76 -2.912 -4.630 -16.597 1.00 0.00 C ATOM 1174 CD1 TYR A 76 -1.740 -5.086 -16.030 1.00 0.00 C ATOM 1175 CD2 TYR A 76 -3.237 -5.037 -17.878 1.00 0.00 C ATOM 1176 CE1 TYR A 76 -0.908 -5.934 -16.730 1.00 0.00 C ATOM 1177 CE2 TYR A 76 -2.407 -5.884 -18.579 1.00 0.00 C ATOM 1178 CZ TYR A 76 -1.235 -6.338 -18.009 1.00 0.00 C ATOM 1179 OH TYR A 76 -0.409 -7.185 -18.718 1.00 0.00 O ATOM 0 H TYR A 76 -5.294 -1.828 -15.026 1.00 0.00 H new ATOM 0 HA TYR A 76 -2.544 -1.975 -15.572 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -3.783 -3.898 -14.755 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -4.881 -3.865 -16.120 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -1.472 -4.777 -15.031 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -4.151 -4.687 -18.334 1.00 0.00 H new ATOM 0 HE1 TYR A 76 0.006 -6.285 -16.274 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -2.674 -6.194 -19.578 1.00 0.00 H new ATOM 0 HH TYR A 76 -0.800 -7.362 -19.599 1.00 0.00 H new ATOM 1189 N ILE A 77 -2.057 -1.696 -17.968 1.00 0.00 N ATOM 1190 CA ILE A 77 -1.739 -1.552 -19.422 1.00 0.00 C ATOM 1191 C ILE A 77 -1.061 -2.817 -19.927 1.00 0.00 C ATOM 1192 O ILE A 77 -1.528 -3.401 -20.886 1.00 0.00 O ATOM 1193 CB ILE A 77 -0.794 -0.326 -19.666 1.00 0.00 C ATOM 1194 CG1 ILE A 77 0.147 -0.053 -18.462 1.00 0.00 C ATOM 1195 CG2 ILE A 77 -1.648 0.930 -19.950 1.00 0.00 C ATOM 1196 CD1 ILE A 77 1.300 0.877 -18.894 1.00 0.00 C ATOM 0 H ILE A 77 -1.265 -1.577 -17.337 1.00 0.00 H new ATOM 0 HA ILE A 77 -2.671 -1.390 -19.963 1.00 0.00 H new ATOM 0 HB ILE A 77 -0.164 -0.563 -20.523 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.414 0.404 -17.647 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.549 -0.993 -18.084 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -0.993 1.784 -20.120 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.261 0.761 -20.835 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -2.293 1.132 -19.095 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.955 1.063 -18.043 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.869 0.403 -19.694 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.891 1.822 -19.251 1.00 0.00 H new ATOM 1208 N GLY A 78 0.012 -3.214 -19.284 1.00 0.00 N ATOM 1209 CA GLY A 78 0.827 -4.314 -19.866 1.00 0.00 C ATOM 1210 C GLY A 78 1.695 -4.954 -18.799 1.00 0.00 C ATOM 1211 O GLY A 78 1.782 -4.484 -17.682 1.00 0.00 O ATOM 0 H GLY A 78 0.349 -2.831 -18.401 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.172 -5.064 -20.309 1.00 0.00 H new ATOM 0 HA3 GLY A 78 1.454 -3.925 -20.668 1.00 0.00 H new ATOM 1215 N ARG A 79 2.311 -6.031 -19.200 1.00 0.00 N ATOM 1216 CA ARG A 79 3.385 -6.638 -18.376 1.00 0.00 C ATOM 1217 C ARG A 79 4.401 -7.322 -19.290 1.00 0.00 C ATOM 1218 O ARG A 79 4.046 -7.853 -20.326 1.00 0.00 O ATOM 1219 CB ARG A 79 2.712 -7.641 -17.384 1.00 0.00 C ATOM 1220 CG ARG A 79 2.601 -9.102 -17.912 1.00 0.00 C ATOM 1221 CD ARG A 79 1.710 -9.195 -19.172 1.00 0.00 C ATOM 1222 NE ARG A 79 2.285 -10.235 -20.077 1.00 0.00 N ATOM 1223 CZ ARG A 79 1.639 -11.350 -20.280 1.00 0.00 C ATOM 1224 NH1 ARG A 79 1.695 -12.277 -19.364 1.00 0.00 N ATOM 1225 NH2 ARG A 79 0.971 -11.499 -21.388 1.00 0.00 N ATOM 0 H ARG A 79 2.112 -6.519 -20.073 1.00 0.00 H new ATOM 0 HA ARG A 79 3.927 -5.886 -17.802 1.00 0.00 H new ATOM 0 HB2 ARG A 79 3.280 -7.647 -16.454 1.00 0.00 H new ATOM 0 HB3 ARG A 79 1.712 -7.279 -17.145 1.00 0.00 H new ATOM 0 HG2 ARG A 79 3.597 -9.481 -18.143 1.00 0.00 H new ATOM 0 HG3 ARG A 79 2.191 -9.740 -17.130 1.00 0.00 H new ATOM 0 HD2 ARG A 79 0.688 -9.455 -18.896 1.00 0.00 H new ATOM 0 HD3 ARG A 79 1.668 -8.231 -19.679 1.00 0.00 H new ATOM 0 HE ARG A 79 3.182 -10.074 -20.536 1.00 0.00 H new ATOM 0 HH11 ARG A 79 2.235 -12.121 -18.513 1.00 0.00 H new ATOM 0 HH12 ARG A 79 1.199 -13.158 -19.499 1.00 0.00 H new ATOM 0 HH21 ARG A 79 0.959 -10.750 -22.081 1.00 0.00 H new ATOM 0 HH22 ARG A 79 0.460 -12.364 -21.563 1.00 0.00 H new ATOM 1239 N LYS A 80 5.642 -7.291 -18.884 1.00 0.00 N ATOM 1240 CA LYS A 80 6.642 -8.181 -19.543 1.00 0.00 C ATOM 1241 C LYS A 80 6.481 -9.607 -18.997 1.00 0.00 C ATOM 1242 O LYS A 80 6.927 -9.933 -17.914 1.00 0.00 O ATOM 1243 CB LYS A 80 8.076 -7.604 -19.277 1.00 0.00 C ATOM 1244 CG LYS A 80 8.417 -7.386 -17.780 1.00 0.00 C ATOM 1245 CD LYS A 80 9.638 -6.427 -17.628 1.00 0.00 C ATOM 1246 CE LYS A 80 10.824 -6.875 -18.522 1.00 0.00 C ATOM 1247 NZ LYS A 80 12.065 -6.125 -18.180 1.00 0.00 N ATOM 0 H LYS A 80 6.003 -6.698 -18.137 1.00 0.00 H new ATOM 0 HA LYS A 80 6.487 -8.221 -20.621 1.00 0.00 H new ATOM 0 HB2 LYS A 80 8.812 -8.282 -19.709 1.00 0.00 H new ATOM 0 HB3 LYS A 80 8.173 -6.653 -19.800 1.00 0.00 H new ATOM 0 HG2 LYS A 80 7.554 -6.969 -17.262 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.639 -8.344 -17.309 1.00 0.00 H new ATOM 0 HD2 LYS A 80 9.342 -5.413 -17.896 1.00 0.00 H new ATOM 0 HD3 LYS A 80 9.955 -6.402 -16.586 1.00 0.00 H new ATOM 0 HE2 LYS A 80 10.995 -7.944 -18.396 1.00 0.00 H new ATOM 0 HE3 LYS A 80 10.575 -6.713 -19.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 12.705 -6.121 -19.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 11.821 -5.146 -17.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 12.537 -6.584 -17.375 1.00 0.00 H new ATOM 1261 N LYS A 81 5.818 -10.404 -19.802 1.00 0.00 N ATOM 1262 CA LYS A 81 5.595 -11.859 -19.511 1.00 0.00 C ATOM 1263 C LYS A 81 6.887 -12.576 -19.065 1.00 0.00 C ATOM 1264 O LYS A 81 7.684 -13.019 -19.869 1.00 0.00 O ATOM 1265 CB LYS A 81 5.005 -12.534 -20.796 1.00 0.00 C ATOM 1266 CG LYS A 81 5.865 -12.244 -22.063 1.00 0.00 C ATOM 1267 CD LYS A 81 5.028 -11.527 -23.147 1.00 0.00 C ATOM 1268 CE LYS A 81 3.962 -12.479 -23.748 1.00 0.00 C ATOM 1269 NZ LYS A 81 4.318 -12.868 -25.146 1.00 0.00 N ATOM 0 H LYS A 81 5.407 -10.093 -20.682 1.00 0.00 H new ATOM 0 HA LYS A 81 4.896 -11.944 -18.679 1.00 0.00 H new ATOM 0 HB2 LYS A 81 4.941 -13.611 -20.641 1.00 0.00 H new ATOM 0 HB3 LYS A 81 3.989 -12.175 -20.959 1.00 0.00 H new ATOM 0 HG2 LYS A 81 6.722 -11.627 -21.792 1.00 0.00 H new ATOM 0 HG3 LYS A 81 6.259 -13.179 -22.462 1.00 0.00 H new ATOM 0 HD2 LYS A 81 4.539 -10.654 -22.715 1.00 0.00 H new ATOM 0 HD3 LYS A 81 5.685 -11.165 -23.938 1.00 0.00 H new ATOM 0 HE2 LYS A 81 3.877 -13.372 -23.129 1.00 0.00 H new ATOM 0 HE3 LYS A 81 2.987 -11.991 -23.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 3.589 -13.505 -25.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 4.376 -12.016 -25.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 5.237 -13.354 -25.148 1.00 0.00 H new ATOM 1283 N ILE A 82 7.033 -12.655 -17.767 1.00 0.00 N ATOM 1284 CA ILE A 82 8.194 -13.371 -17.140 1.00 0.00 C ATOM 1285 C ILE A 82 7.760 -14.772 -16.683 1.00 0.00 C ATOM 1286 O ILE A 82 6.668 -14.959 -16.183 1.00 0.00 O ATOM 1287 CB ILE A 82 8.718 -12.505 -15.933 1.00 0.00 C ATOM 1288 CG1 ILE A 82 9.774 -13.273 -15.048 1.00 0.00 C ATOM 1289 CG2 ILE A 82 7.555 -11.932 -15.069 1.00 0.00 C ATOM 1290 CD1 ILE A 82 9.128 -14.231 -14.006 1.00 0.00 C ATOM 0 H ILE A 82 6.382 -12.245 -17.097 1.00 0.00 H new ATOM 0 HA ILE A 82 9.001 -13.499 -17.861 1.00 0.00 H new ATOM 0 HB ILE A 82 9.238 -11.656 -16.377 1.00 0.00 H new ATOM 0 HG12 ILE A 82 10.433 -13.848 -15.699 1.00 0.00 H new ATOM 0 HG13 ILE A 82 10.396 -12.546 -14.526 1.00 0.00 H new ATOM 0 HG21 ILE A 82 7.967 -11.343 -14.250 1.00 0.00 H new ATOM 0 HG22 ILE A 82 6.920 -11.299 -15.688 1.00 0.00 H new ATOM 0 HG23 ILE A 82 6.964 -12.753 -14.664 1.00 0.00 H new ATOM 0 HD11 ILE A 82 9.911 -14.726 -13.432 1.00 0.00 H new ATOM 0 HD12 ILE A 82 8.491 -13.659 -13.332 1.00 0.00 H new ATOM 0 HD13 ILE A 82 8.528 -14.980 -14.523 1.00 0.00 H new ATOM 1302 N SER A 83 8.648 -15.713 -16.878 1.00 0.00 N ATOM 1303 CA SER A 83 8.376 -17.148 -16.544 1.00 0.00 C ATOM 1304 C SER A 83 9.650 -17.765 -15.935 1.00 0.00 C ATOM 1305 O SER A 83 10.718 -17.201 -16.084 1.00 0.00 O ATOM 1306 CB SER A 83 7.982 -17.902 -17.843 1.00 0.00 C ATOM 1307 OG SER A 83 6.583 -18.137 -17.734 1.00 0.00 O ATOM 0 H SER A 83 9.576 -15.543 -17.265 1.00 0.00 H new ATOM 0 HA SER A 83 7.560 -17.226 -15.826 1.00 0.00 H new ATOM 0 HB2 SER A 83 8.213 -17.308 -18.727 1.00 0.00 H new ATOM 0 HB3 SER A 83 8.532 -18.839 -17.936 1.00 0.00 H new ATOM 0 HG SER A 83 6.268 -18.613 -18.531 1.00 0.00 H new ATOM 1313 N PRO A 84 9.527 -18.896 -15.271 1.00 0.00 N ATOM 1314 CA PRO A 84 10.707 -19.614 -14.715 1.00 0.00 C ATOM 1315 C PRO A 84 11.741 -19.973 -15.804 1.00 0.00 C ATOM 1316 O PRO A 84 12.913 -19.918 -15.472 1.00 0.00 O ATOM 1317 CB PRO A 84 10.151 -20.863 -14.017 1.00 0.00 C ATOM 1318 CG PRO A 84 8.607 -20.858 -14.220 1.00 0.00 C ATOM 1319 CD PRO A 84 8.232 -19.578 -14.994 1.00 0.00 C ATOM 1320 OXT PRO A 84 11.298 -20.280 -16.900 1.00 0.00 O ATOM 0 HA PRO A 84 11.251 -18.981 -14.014 1.00 0.00 H new ATOM 0 HB2 PRO A 84 10.591 -21.767 -14.438 1.00 0.00 H new ATOM 0 HB3 PRO A 84 10.399 -20.853 -12.956 1.00 0.00 H new ATOM 0 HG2 PRO A 84 8.292 -21.743 -14.773 1.00 0.00 H new ATOM 0 HG3 PRO A 84 8.096 -20.885 -13.258 1.00 0.00 H new ATOM 0 HD2 PRO A 84 7.707 -19.817 -15.919 1.00 0.00 H new ATOM 0 HD3 PRO A 84 7.570 -18.942 -14.406 1.00 0.00 H new TER 1328 PRO A 84