USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 750 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 9 TYR OH : rot 30:sc= 0.411 USER MOD Set 1.2: A 41 GLN : amide:sc= -0.53 K(o=-0.12,f=1.2) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -118:sc= 0.143 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 CYS SG : rot -43:sc= -3.12! USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.631 USER MOD Single : A 11 GLN : amide:sc= -0.513 X(o=-0.51,f=-0.12) USER MOD Single : A 17 GLN : amide:sc= -1.76! K(o=-1.8!,f=-0.41) USER MOD Single : A 20 GLN : amide:sc= 0.661 K(o=0.66,f=-2.1) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -2.28 K(o=-2.3,f=-0.49) USER MOD Single : A 35 SER OG : rot -130:sc= 0.967 USER MOD Single : A 36 LYS NZ :NH3+ 155:sc= 1.19 (180deg=0.0777) USER MOD Single : A 43 GLN : amide:sc= 0.113 K(o=0.11,f=-1.7!) USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=-0.0059) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.141 X(o=-0.14,f=0) USER MOD Single : A 47 THR OG1 : rot 68:sc= 1.24 USER MOD Single : A 48 MET CE :methyl 169:sc= -0.0279 (180deg=-0.238) USER MOD Single : A 51 ASN : amide:sc= 1.23 K(o=1.2,f=-0.023) USER MOD Single : A 53 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0446) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 MET CE :methyl -132:sc= -0.109 (180deg=-1.6) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 HIS : no HD1:sc= -0.6 K(o=-0.6,f=-1.3) USER MOD Single : A 64 LYS NZ :NH3+ -125:sc= 0 (180deg=-0.57) USER MOD Single : A 68 GLN : amide:sc= -1.81 K(o=-1.8,f=-5!) USER MOD Single : A 70 MET CE :methyl -161:sc= -0.154 (180deg=-0.606) USER MOD Single : A 72 SER OG : rot 88:sc= -1.21! USER MOD Single : A 78 LYS NZ :NH3+ -155:sc= 0.987 (180deg=0.593) USER MOD Single : A 81 HIS : no HD1:sc=-0.00544 X(o=-0.0054,f=-0.0096) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot -172:sc= 0.379 USER MOD Single : A 90 LYS NZ :NH3+ -171:sc= 0.412 (180deg=0.336) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.678 -20.477 12.687 1.00 0.00 N ATOM 2 CA MET A 1 2.778 -21.464 12.048 1.00 0.00 C ATOM 3 C MET A 1 2.292 -20.938 10.709 1.00 0.00 C ATOM 4 O MET A 1 2.613 -19.815 10.325 1.00 0.00 O ATOM 5 CB MET A 1 1.581 -21.780 12.948 1.00 0.00 C ATOM 6 CG MET A 1 1.920 -22.651 14.145 1.00 0.00 C ATOM 7 SD MET A 1 0.464 -23.061 15.127 1.00 0.00 S ATOM 8 CE MET A 1 1.180 -24.196 16.311 1.00 0.00 C ATOM 0 H1 MET A 1 4.623 -20.895 12.805 1.00 0.00 H new ATOM 0 H2 MET A 1 3.746 -19.630 12.087 1.00 0.00 H new ATOM 0 H3 MET A 1 3.298 -20.212 13.618 1.00 0.00 H new ATOM 0 HA MET A 1 3.342 -22.384 11.891 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.150 -20.844 13.303 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.815 -22.279 12.354 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.394 -23.570 13.800 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.646 -22.135 14.773 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.406 -24.544 16.995 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.609 -25.048 15.784 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.962 -23.688 16.876 1.00 0.00 H new ATOM 20 N SER A 2 1.526 -21.750 10.001 1.00 0.00 N ATOM 21 CA SER A 2 0.999 -21.353 8.710 1.00 0.00 C ATOM 22 C SER A 2 -0.507 -21.556 8.658 1.00 0.00 C ATOM 23 O SER A 2 -0.984 -22.691 8.684 1.00 0.00 O ATOM 24 CB SER A 2 1.665 -22.165 7.596 1.00 0.00 C ATOM 25 OG SER A 2 3.077 -22.032 7.636 1.00 0.00 O ATOM 0 H SER A 2 1.256 -22.687 10.299 1.00 0.00 H new ATOM 0 HA SER A 2 1.216 -20.295 8.565 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.393 -23.216 7.697 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.293 -21.831 6.627 1.00 0.00 H new ATOM 0 HG SER A 2 3.476 -22.562 6.915 1.00 0.00 H new ATOM 31 N ARG A 3 -1.258 -20.466 8.612 1.00 0.00 N ATOM 32 CA ARG A 3 -2.684 -20.564 8.379 1.00 0.00 C ATOM 33 C ARG A 3 -2.910 -20.708 6.881 1.00 0.00 C ATOM 34 O ARG A 3 -2.555 -19.825 6.096 1.00 0.00 O ATOM 35 CB ARG A 3 -3.444 -19.355 8.956 1.00 0.00 C ATOM 36 CG ARG A 3 -3.119 -18.018 8.300 1.00 0.00 C ATOM 37 CD ARG A 3 -3.850 -16.869 8.977 1.00 0.00 C ATOM 38 NE ARG A 3 -5.305 -17.034 8.945 1.00 0.00 N ATOM 39 CZ ARG A 3 -6.162 -16.191 9.523 1.00 0.00 C ATOM 40 NH1 ARG A 3 -5.715 -15.109 10.154 1.00 0.00 N ATOM 41 NH2 ARG A 3 -7.466 -16.431 9.466 1.00 0.00 N ATOM 0 H ARG A 3 -0.906 -19.516 8.732 1.00 0.00 H new ATOM 0 HA ARG A 3 -3.079 -21.438 8.897 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -4.514 -19.539 8.861 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -3.226 -19.283 10.022 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -2.044 -17.842 8.344 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -3.393 -18.053 7.246 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -3.519 -16.792 10.013 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -3.583 -15.933 8.486 1.00 0.00 H new ATOM 0 HE ARG A 3 -5.685 -17.841 8.451 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -4.713 -14.921 10.197 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -6.374 -14.467 10.595 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -7.811 -17.259 8.981 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -8.123 -15.787 9.907 1.00 0.00 H new ATOM 55 N THR A 4 -3.452 -21.843 6.490 1.00 0.00 N ATOM 56 CA THR A 4 -3.580 -22.181 5.088 1.00 0.00 C ATOM 57 C THR A 4 -4.751 -21.444 4.457 1.00 0.00 C ATOM 58 O THR A 4 -5.915 -21.728 4.750 1.00 0.00 O ATOM 59 CB THR A 4 -3.751 -23.698 4.897 1.00 0.00 C ATOM 60 OG1 THR A 4 -2.782 -24.394 5.694 1.00 0.00 O ATOM 61 CG2 THR A 4 -3.579 -24.078 3.435 1.00 0.00 C ATOM 0 H THR A 4 -3.813 -22.551 7.129 1.00 0.00 H new ATOM 0 HA THR A 4 -2.661 -21.870 4.591 1.00 0.00 H new ATOM 0 HB THR A 4 -4.756 -23.978 5.212 1.00 0.00 H new ATOM 0 HG1 THR A 4 -2.892 -25.360 5.573 1.00 0.00 H new ATOM 0 HG21 THR A 4 -3.704 -25.155 3.322 1.00 0.00 H new ATOM 0 HG22 THR A 4 -4.327 -23.561 2.834 1.00 0.00 H new ATOM 0 HG23 THR A 4 -2.583 -23.791 3.099 1.00 0.00 H new ATOM 69 N ILE A 5 -4.428 -20.489 3.607 1.00 0.00 N ATOM 70 CA ILE A 5 -5.428 -19.687 2.930 1.00 0.00 C ATOM 71 C ILE A 5 -5.245 -19.774 1.421 1.00 0.00 C ATOM 72 O ILE A 5 -4.206 -20.230 0.941 1.00 0.00 O ATOM 73 CB ILE A 5 -5.376 -18.208 3.395 1.00 0.00 C ATOM 74 CG1 ILE A 5 -3.933 -17.665 3.404 1.00 0.00 C ATOM 75 CG2 ILE A 5 -6.002 -18.064 4.776 1.00 0.00 C ATOM 76 CD1 ILE A 5 -3.412 -17.238 2.045 1.00 0.00 C ATOM 0 H ILE A 5 -3.467 -20.247 3.367 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.408 -20.086 3.191 1.00 0.00 H new ATOM 0 HB ILE A 5 -5.949 -17.617 2.680 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -3.883 -16.813 4.082 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -3.272 -18.432 3.807 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -5.958 -17.021 5.088 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -7.042 -18.388 4.740 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -5.455 -18.680 5.490 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -2.391 -16.870 2.146 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -3.425 -18.091 1.366 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -4.045 -16.446 1.645 1.00 0.00 H new ATOM 88 N PHE A 6 -6.254 -19.353 0.681 1.00 0.00 N ATOM 89 CA PHE A 6 -6.159 -19.315 -0.767 1.00 0.00 C ATOM 90 C PHE A 6 -5.852 -17.898 -1.218 1.00 0.00 C ATOM 91 O PHE A 6 -6.743 -17.052 -1.307 1.00 0.00 O ATOM 92 CB PHE A 6 -7.448 -19.830 -1.414 1.00 0.00 C ATOM 93 CG PHE A 6 -7.742 -21.265 -1.081 1.00 0.00 C ATOM 94 CD1 PHE A 6 -7.006 -22.287 -1.660 1.00 0.00 C ATOM 95 CD2 PHE A 6 -8.744 -21.593 -0.182 1.00 0.00 C ATOM 96 CE1 PHE A 6 -7.264 -23.608 -1.351 1.00 0.00 C ATOM 97 CE2 PHE A 6 -9.007 -22.914 0.133 1.00 0.00 C ATOM 98 CZ PHE A 6 -8.265 -23.923 -0.452 1.00 0.00 C ATOM 0 H PHE A 6 -7.147 -19.033 1.057 1.00 0.00 H new ATOM 0 HA PHE A 6 -5.349 -19.971 -1.086 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -8.283 -19.209 -1.090 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -7.372 -19.722 -2.496 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -6.221 -22.047 -2.362 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -9.326 -20.808 0.278 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -6.684 -24.394 -1.812 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -9.791 -23.157 0.835 1.00 0.00 H new ATOM 0 HZ PHE A 6 -8.467 -24.955 -0.207 1.00 0.00 H new ATOM 108 N CYS A 7 -4.577 -17.645 -1.461 1.00 0.00 N ATOM 109 CA CYS A 7 -4.099 -16.310 -1.787 1.00 0.00 C ATOM 110 C CYS A 7 -4.616 -15.845 -3.146 1.00 0.00 C ATOM 111 O CYS A 7 -4.714 -16.630 -4.088 1.00 0.00 O ATOM 112 CB CYS A 7 -2.571 -16.294 -1.769 1.00 0.00 C ATOM 113 SG CYS A 7 -1.815 -17.554 -2.822 1.00 0.00 S ATOM 0 H CYS A 7 -3.846 -18.356 -1.438 1.00 0.00 H new ATOM 0 HA CYS A 7 -4.481 -15.619 -1.036 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -2.224 -15.311 -2.088 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -2.228 -16.436 -0.744 1.00 0.00 H new ATOM 0 HG CYS A 7 -2.452 -18.678 -2.679 1.00 0.00 H new ATOM 119 N THR A 8 -4.932 -14.563 -3.238 1.00 0.00 N ATOM 120 CA THR A 8 -5.479 -13.987 -4.453 1.00 0.00 C ATOM 121 C THR A 8 -4.433 -13.931 -5.568 1.00 0.00 C ATOM 122 O THR A 8 -4.769 -13.985 -6.751 1.00 0.00 O ATOM 123 CB THR A 8 -6.014 -12.571 -4.171 1.00 0.00 C ATOM 124 OG1 THR A 8 -6.769 -12.587 -2.953 1.00 0.00 O ATOM 125 CG2 THR A 8 -6.897 -12.088 -5.309 1.00 0.00 C ATOM 0 H THR A 8 -4.817 -13.896 -2.475 1.00 0.00 H new ATOM 0 HA THR A 8 -6.295 -14.628 -4.787 1.00 0.00 H new ATOM 0 HB THR A 8 -5.168 -11.890 -4.079 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.111 -11.687 -2.768 1.00 0.00 H new ATOM 0 HG21 THR A 8 -7.262 -11.086 -5.086 1.00 0.00 H new ATOM 0 HG22 THR A 8 -6.320 -12.066 -6.233 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.743 -12.765 -5.425 1.00 0.00 H new ATOM 133 N TYR A 9 -3.165 -13.852 -5.187 1.00 0.00 N ATOM 134 CA TYR A 9 -2.086 -13.743 -6.160 1.00 0.00 C ATOM 135 C TYR A 9 -1.835 -15.080 -6.863 1.00 0.00 C ATOM 136 O TYR A 9 -1.836 -15.151 -8.091 1.00 0.00 O ATOM 137 CB TYR A 9 -0.806 -13.247 -5.478 1.00 0.00 C ATOM 138 CG TYR A 9 0.344 -12.986 -6.432 1.00 0.00 C ATOM 139 CD1 TYR A 9 0.438 -11.787 -7.129 1.00 0.00 C ATOM 140 CD2 TYR A 9 1.336 -13.938 -6.635 1.00 0.00 C ATOM 141 CE1 TYR A 9 1.485 -11.547 -8.001 1.00 0.00 C ATOM 142 CE2 TYR A 9 2.384 -13.705 -7.502 1.00 0.00 C ATOM 143 CZ TYR A 9 2.456 -12.510 -8.182 1.00 0.00 C ATOM 144 OH TYR A 9 3.501 -12.281 -9.051 1.00 0.00 O ATOM 0 H TYR A 9 -2.859 -13.861 -4.214 1.00 0.00 H new ATOM 0 HA TYR A 9 -2.386 -13.019 -6.918 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -1.029 -12.328 -4.935 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -0.491 -13.985 -4.740 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -0.319 -11.030 -6.987 1.00 0.00 H new ATOM 0 HD2 TYR A 9 1.286 -14.877 -6.104 1.00 0.00 H new ATOM 0 HE1 TYR A 9 1.542 -10.611 -8.537 1.00 0.00 H new ATOM 0 HE2 TYR A 9 3.145 -14.457 -7.647 1.00 0.00 H new ATOM 0 HH TYR A 9 3.695 -11.321 -9.083 1.00 0.00 H new ATOM 154 N LEU A 10 -1.626 -16.139 -6.085 1.00 0.00 N ATOM 155 CA LEU A 10 -1.304 -17.448 -6.654 1.00 0.00 C ATOM 156 C LEU A 10 -2.563 -18.267 -6.927 1.00 0.00 C ATOM 157 O LEU A 10 -2.521 -19.238 -7.678 1.00 0.00 O ATOM 158 CB LEU A 10 -0.375 -18.226 -5.716 1.00 0.00 C ATOM 159 CG LEU A 10 0.986 -17.576 -5.452 1.00 0.00 C ATOM 160 CD1 LEU A 10 1.742 -18.339 -4.376 1.00 0.00 C ATOM 161 CD2 LEU A 10 1.806 -17.517 -6.732 1.00 0.00 C ATOM 0 H LEU A 10 -1.673 -16.119 -5.066 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.797 -17.275 -7.604 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -0.883 -18.365 -4.762 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.209 -19.218 -6.137 1.00 0.00 H new ATOM 0 HG LEU A 10 0.817 -16.558 -5.101 1.00 0.00 H new ATOM 0 HD11 LEU A 10 2.707 -17.863 -4.202 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.163 -18.335 -3.452 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.899 -19.367 -4.701 1.00 0.00 H new ATOM 0 HD21 LEU A 10 2.770 -17.052 -6.525 1.00 0.00 H new ATOM 0 HD22 LEU A 10 1.964 -18.527 -7.110 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.272 -16.929 -7.479 1.00 0.00 H new ATOM 173 N GLN A 11 -3.669 -17.883 -6.289 1.00 0.00 N ATOM 174 CA GLN A 11 -4.962 -18.560 -6.458 1.00 0.00 C ATOM 175 C GLN A 11 -4.947 -19.966 -5.858 1.00 0.00 C ATOM 176 O GLN A 11 -5.889 -20.733 -6.040 1.00 0.00 O ATOM 177 CB GLN A 11 -5.363 -18.635 -7.939 1.00 0.00 C ATOM 178 CG GLN A 11 -5.812 -17.310 -8.532 1.00 0.00 C ATOM 179 CD GLN A 11 -7.086 -16.790 -7.896 1.00 0.00 C ATOM 180 OE1 GLN A 11 -8.190 -17.115 -8.332 1.00 0.00 O ATOM 181 NE2 GLN A 11 -6.949 -15.962 -6.875 1.00 0.00 N ATOM 0 H GLN A 11 -3.697 -17.096 -5.641 1.00 0.00 H new ATOM 0 HA GLN A 11 -5.700 -17.964 -5.922 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -4.516 -19.009 -8.514 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -6.169 -19.361 -8.049 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -5.020 -16.572 -8.406 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -5.968 -17.430 -9.604 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -6.018 -15.715 -6.540 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -7.775 -15.570 -6.422 1.00 0.00 H new ATOM 190 N ARG A 12 -3.889 -20.299 -5.130 1.00 0.00 N ATOM 191 CA ARG A 12 -3.764 -21.624 -4.537 1.00 0.00 C ATOM 192 C ARG A 12 -3.393 -21.515 -3.064 1.00 0.00 C ATOM 193 O ARG A 12 -3.394 -20.415 -2.499 1.00 0.00 O ATOM 194 CB ARG A 12 -2.724 -22.461 -5.288 1.00 0.00 C ATOM 195 CG ARG A 12 -3.017 -22.602 -6.774 1.00 0.00 C ATOM 196 CD ARG A 12 -2.059 -23.569 -7.447 1.00 0.00 C ATOM 197 NE ARG A 12 -2.245 -23.596 -8.897 1.00 0.00 N ATOM 198 CZ ARG A 12 -2.301 -24.710 -9.628 1.00 0.00 C ATOM 199 NH1 ARG A 12 -2.213 -25.903 -9.051 1.00 0.00 N ATOM 200 NH2 ARG A 12 -2.448 -24.629 -10.945 1.00 0.00 N ATOM 0 H ARG A 12 -3.108 -19.672 -4.936 1.00 0.00 H new ATOM 0 HA ARG A 12 -4.729 -22.125 -4.618 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -1.742 -22.005 -5.161 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -2.675 -23.453 -4.840 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -4.041 -22.950 -6.911 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -2.945 -21.626 -7.253 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -1.033 -23.283 -7.217 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -2.209 -24.570 -7.042 1.00 0.00 H new ATOM 0 HE ARG A 12 -2.338 -22.703 -9.382 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -2.101 -25.973 -8.040 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -2.257 -26.749 -9.619 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -2.518 -23.716 -11.395 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -2.491 -25.479 -11.507 1.00 0.00 H new ATOM 214 N ASP A 13 -3.074 -22.653 -2.450 1.00 0.00 N ATOM 215 CA ASP A 13 -2.779 -22.703 -1.023 1.00 0.00 C ATOM 216 C ASP A 13 -1.515 -21.921 -0.692 1.00 0.00 C ATOM 217 O ASP A 13 -0.514 -21.989 -1.410 1.00 0.00 O ATOM 218 CB ASP A 13 -2.642 -24.155 -0.532 1.00 0.00 C ATOM 219 CG ASP A 13 -1.398 -24.856 -1.049 1.00 0.00 C ATOM 220 OD1 ASP A 13 -1.429 -25.365 -2.194 1.00 0.00 O ATOM 221 OD2 ASP A 13 -0.390 -24.927 -0.307 1.00 0.00 O ATOM 0 H ASP A 13 -3.014 -23.555 -2.922 1.00 0.00 H new ATOM 0 HA ASP A 13 -3.619 -22.239 -0.505 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -2.626 -24.161 0.558 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -3.522 -24.719 -0.841 1.00 0.00 H new ATOM 226 N ALA A 14 -1.589 -21.156 0.380 1.00 0.00 N ATOM 227 CA ALA A 14 -0.462 -20.387 0.868 1.00 0.00 C ATOM 228 C ALA A 14 -0.657 -20.092 2.347 1.00 0.00 C ATOM 229 O ALA A 14 -1.668 -20.488 2.931 1.00 0.00 O ATOM 230 CB ALA A 14 -0.307 -19.098 0.079 1.00 0.00 C ATOM 0 H ALA A 14 -2.436 -21.050 0.939 1.00 0.00 H new ATOM 0 HA ALA A 14 0.451 -20.968 0.736 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.545 -18.537 0.463 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.143 -19.333 -0.973 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -1.212 -18.498 0.180 1.00 0.00 H new ATOM 236 N GLU A 15 0.297 -19.404 2.952 1.00 0.00 N ATOM 237 CA GLU A 15 0.214 -19.092 4.366 1.00 0.00 C ATOM 238 C GLU A 15 -0.154 -17.631 4.560 1.00 0.00 C ATOM 239 O GLU A 15 0.083 -16.799 3.680 1.00 0.00 O ATOM 240 CB GLU A 15 1.542 -19.399 5.064 1.00 0.00 C ATOM 241 CG GLU A 15 2.675 -18.468 4.668 1.00 0.00 C ATOM 242 CD GLU A 15 3.966 -18.776 5.395 1.00 0.00 C ATOM 243 OE1 GLU A 15 4.146 -18.293 6.534 1.00 0.00 O ATOM 244 OE2 GLU A 15 4.813 -19.496 4.832 1.00 0.00 O ATOM 0 H GLU A 15 1.134 -19.053 2.487 1.00 0.00 H new ATOM 0 HA GLU A 15 -0.563 -19.714 4.812 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.396 -19.340 6.143 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.832 -20.425 4.837 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.842 -18.542 3.593 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.383 -17.439 4.875 1.00 0.00 H new ATOM 251 N GLY A 16 -0.758 -17.332 5.700 1.00 0.00 N ATOM 252 CA GLY A 16 -1.059 -15.960 6.041 1.00 0.00 C ATOM 253 C GLY A 16 0.196 -15.116 6.142 1.00 0.00 C ATOM 254 O GLY A 16 1.192 -15.543 6.735 1.00 0.00 O ATOM 0 H GLY A 16 -1.046 -18.019 6.397 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -1.723 -15.536 5.288 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -1.594 -15.930 6.990 1.00 0.00 H new ATOM 258 N GLN A 17 0.153 -13.927 5.555 1.00 0.00 N ATOM 259 CA GLN A 17 1.297 -13.024 5.545 1.00 0.00 C ATOM 260 C GLN A 17 1.710 -12.681 6.974 1.00 0.00 C ATOM 261 O GLN A 17 2.897 -12.664 7.303 1.00 0.00 O ATOM 262 CB GLN A 17 0.944 -11.750 4.765 1.00 0.00 C ATOM 263 CG GLN A 17 2.147 -10.980 4.225 1.00 0.00 C ATOM 264 CD GLN A 17 2.919 -10.213 5.286 1.00 0.00 C ATOM 265 OE1 GLN A 17 4.135 -10.065 5.197 1.00 0.00 O ATOM 266 NE2 GLN A 17 2.222 -9.698 6.285 1.00 0.00 N ATOM 0 H GLN A 17 -0.670 -13.563 5.075 1.00 0.00 H new ATOM 0 HA GLN A 17 2.137 -13.515 5.054 1.00 0.00 H new ATOM 0 HB2 GLN A 17 0.297 -12.019 3.930 1.00 0.00 H new ATOM 0 HB3 GLN A 17 0.369 -11.090 5.414 1.00 0.00 H new ATOM 0 HG2 GLN A 17 2.823 -11.680 3.734 1.00 0.00 H new ATOM 0 HG3 GLN A 17 1.805 -10.280 3.463 1.00 0.00 H new ATOM 0 HE21 GLN A 17 1.213 -9.840 6.329 1.00 0.00 H new ATOM 0 HE22 GLN A 17 2.694 -9.159 7.011 1.00 0.00 H new ATOM 275 N ASP A 18 0.717 -12.416 7.815 1.00 0.00 N ATOM 276 CA ASP A 18 0.944 -12.105 9.224 1.00 0.00 C ATOM 277 C ASP A 18 -0.403 -11.923 9.915 1.00 0.00 C ATOM 278 O ASP A 18 -1.439 -12.323 9.379 1.00 0.00 O ATOM 279 CB ASP A 18 1.797 -10.837 9.379 1.00 0.00 C ATOM 280 CG ASP A 18 2.576 -10.819 10.684 1.00 0.00 C ATOM 281 OD1 ASP A 18 2.002 -10.436 11.721 1.00 0.00 O ATOM 282 OD2 ASP A 18 3.769 -11.193 10.679 1.00 0.00 O ATOM 0 H ASP A 18 -0.266 -12.410 7.542 1.00 0.00 H new ATOM 0 HA ASP A 18 1.488 -12.929 9.686 1.00 0.00 H new ATOM 0 HB2 ASP A 18 2.493 -10.766 8.543 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.151 -9.960 9.332 1.00 0.00 H new ATOM 287 N PHE A 19 -0.391 -11.318 11.091 1.00 0.00 N ATOM 288 CA PHE A 19 -1.604 -11.101 11.854 1.00 0.00 C ATOM 289 C PHE A 19 -1.892 -9.610 11.956 1.00 0.00 C ATOM 290 O PHE A 19 -1.226 -8.798 11.317 1.00 0.00 O ATOM 291 CB PHE A 19 -1.460 -11.713 13.248 1.00 0.00 C ATOM 292 CG PHE A 19 -2.582 -12.647 13.607 1.00 0.00 C ATOM 293 CD1 PHE A 19 -2.657 -13.906 13.034 1.00 0.00 C ATOM 294 CD2 PHE A 19 -3.561 -12.267 14.513 1.00 0.00 C ATOM 295 CE1 PHE A 19 -3.684 -14.770 13.358 1.00 0.00 C ATOM 296 CE2 PHE A 19 -4.593 -13.128 14.840 1.00 0.00 C ATOM 297 CZ PHE A 19 -4.654 -14.381 14.262 1.00 0.00 C ATOM 0 H PHE A 19 0.455 -10.966 11.539 1.00 0.00 H new ATOM 0 HA PHE A 19 -2.438 -11.584 11.346 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -0.515 -12.253 13.304 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -1.413 -10.912 13.986 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -1.903 -14.215 12.325 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.517 -11.288 14.968 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -3.729 -15.749 12.905 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.350 -12.821 15.546 1.00 0.00 H new ATOM 0 HZ PHE A 19 -5.458 -15.055 14.516 1.00 0.00 H new ATOM 307 N GLN A 20 -2.876 -9.248 12.761 1.00 0.00 N ATOM 308 CA GLN A 20 -3.251 -7.854 12.919 1.00 0.00 C ATOM 309 C GLN A 20 -2.295 -7.141 13.865 1.00 0.00 C ATOM 310 O GLN A 20 -2.455 -7.192 15.086 1.00 0.00 O ATOM 311 CB GLN A 20 -4.687 -7.745 13.426 1.00 0.00 C ATOM 312 CG GLN A 20 -5.708 -8.270 12.435 1.00 0.00 C ATOM 313 CD GLN A 20 -5.723 -7.467 11.152 1.00 0.00 C ATOM 314 OE1 GLN A 20 -4.979 -7.753 10.217 1.00 0.00 O ATOM 315 NE2 GLN A 20 -6.572 -6.456 11.100 1.00 0.00 N ATOM 0 H GLN A 20 -3.430 -9.901 13.316 1.00 0.00 H new ATOM 0 HA GLN A 20 -3.188 -7.369 11.945 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.779 -8.298 14.361 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -4.909 -6.702 13.649 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -5.488 -9.313 12.207 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -6.699 -8.245 12.889 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -7.172 -6.253 11.899 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -6.627 -5.879 10.261 1.00 0.00 H new ATOM 324 N LEU A 21 -1.278 -6.508 13.295 1.00 0.00 N ATOM 325 CA LEU A 21 -0.310 -5.760 14.084 1.00 0.00 C ATOM 326 C LEU A 21 -0.822 -4.346 14.333 1.00 0.00 C ATOM 327 O LEU A 21 -0.949 -3.907 15.477 1.00 0.00 O ATOM 328 CB LEU A 21 1.054 -5.686 13.376 1.00 0.00 C ATOM 329 CG LEU A 21 1.511 -6.956 12.656 1.00 0.00 C ATOM 330 CD1 LEU A 21 1.181 -6.877 11.173 1.00 0.00 C ATOM 331 CD2 LEU A 21 3.000 -7.178 12.865 1.00 0.00 C ATOM 0 H LEU A 21 -1.103 -6.498 12.290 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.181 -6.282 15.032 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.019 -4.874 12.650 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.810 -5.420 14.115 1.00 0.00 H new ATOM 0 HG LEU A 21 0.975 -7.806 13.079 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.513 -7.789 10.677 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.104 -6.766 11.045 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.689 -6.019 10.732 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.309 -8.086 12.346 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.554 -6.327 12.469 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.207 -7.281 13.930 1.00 0.00 H new ATOM 343 N TYR A 22 -1.123 -3.639 13.251 1.00 0.00 N ATOM 344 CA TYR A 22 -1.566 -2.251 13.335 1.00 0.00 C ATOM 345 C TYR A 22 -2.794 -1.979 12.452 1.00 0.00 C ATOM 346 O TYR A 22 -3.768 -1.397 12.933 1.00 0.00 O ATOM 347 CB TYR A 22 -0.429 -1.286 12.969 1.00 0.00 C ATOM 348 CG TYR A 22 0.746 -1.325 13.920 1.00 0.00 C ATOM 349 CD1 TYR A 22 0.738 -0.579 15.090 1.00 0.00 C ATOM 350 CD2 TYR A 22 1.861 -2.108 13.648 1.00 0.00 C ATOM 351 CE1 TYR A 22 1.807 -0.611 15.963 1.00 0.00 C ATOM 352 CE2 TYR A 22 2.935 -2.148 14.517 1.00 0.00 C ATOM 353 CZ TYR A 22 2.901 -1.397 15.674 1.00 0.00 C ATOM 354 OH TYR A 22 3.966 -1.431 16.546 1.00 0.00 O ATOM 0 H TYR A 22 -1.068 -4.005 12.301 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.857 -2.078 14.371 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -0.077 -1.521 11.964 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -0.824 -0.271 12.939 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.119 0.037 15.321 1.00 0.00 H new ATOM 0 HD2 TYR A 22 1.889 -2.695 12.742 1.00 0.00 H new ATOM 0 HE1 TYR A 22 1.786 -0.023 16.868 1.00 0.00 H new ATOM 0 HE2 TYR A 22 3.794 -2.762 14.292 1.00 0.00 H new ATOM 0 HH TYR A 22 4.655 -2.034 16.197 1.00 0.00 H new ATOM 364 N PRO A 23 -2.785 -2.378 11.153 1.00 0.00 N ATOM 365 CA PRO A 23 -3.914 -2.114 10.249 1.00 0.00 C ATOM 366 C PRO A 23 -5.179 -2.863 10.665 1.00 0.00 C ATOM 367 O PRO A 23 -5.129 -3.792 11.474 1.00 0.00 O ATOM 368 CB PRO A 23 -3.427 -2.613 8.883 1.00 0.00 C ATOM 369 CG PRO A 23 -1.949 -2.743 9.018 1.00 0.00 C ATOM 370 CD PRO A 23 -1.710 -3.100 10.453 1.00 0.00 C ATOM 0 HA PRO A 23 -4.187 -1.059 10.253 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -3.884 -3.569 8.627 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -3.690 -1.912 8.091 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -1.560 -3.513 8.352 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -1.447 -1.811 8.756 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -1.772 -4.176 10.618 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -0.723 -2.782 10.790 1.00 0.00 H new ATOM 378 N GLY A 24 -6.310 -2.455 10.103 1.00 0.00 N ATOM 379 CA GLY A 24 -7.577 -3.051 10.471 1.00 0.00 C ATOM 380 C GLY A 24 -8.194 -3.862 9.351 1.00 0.00 C ATOM 381 O GLY A 24 -7.705 -4.945 9.017 1.00 0.00 O ATOM 0 H GLY A 24 -6.371 -1.721 9.398 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.432 -3.693 11.340 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -8.270 -2.264 10.768 1.00 0.00 H new ATOM 385 N GLU A 25 -9.254 -3.324 8.757 1.00 0.00 N ATOM 386 CA GLU A 25 -10.021 -4.033 7.741 1.00 0.00 C ATOM 387 C GLU A 25 -9.164 -4.375 6.525 1.00 0.00 C ATOM 388 O GLU A 25 -9.231 -5.490 6.001 1.00 0.00 O ATOM 389 CB GLU A 25 -11.234 -3.194 7.326 1.00 0.00 C ATOM 390 CG GLU A 25 -10.873 -1.838 6.741 1.00 0.00 C ATOM 391 CD GLU A 25 -12.084 -0.989 6.440 1.00 0.00 C ATOM 392 OE1 GLU A 25 -12.942 -1.434 5.653 1.00 0.00 O ATOM 393 OE2 GLU A 25 -12.178 0.134 6.983 1.00 0.00 O ATOM 0 H GLU A 25 -9.604 -2.389 8.965 1.00 0.00 H new ATOM 0 HA GLU A 25 -10.365 -4.974 8.171 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -11.816 -3.752 6.592 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -11.875 -3.045 8.195 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.227 -1.306 7.440 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -10.300 -1.983 5.825 1.00 0.00 H new ATOM 400 N LEU A 26 -8.347 -3.426 6.090 1.00 0.00 N ATOM 401 CA LEU A 26 -7.476 -3.646 4.949 1.00 0.00 C ATOM 402 C LEU A 26 -6.377 -4.621 5.330 1.00 0.00 C ATOM 403 O LEU A 26 -5.938 -5.427 4.514 1.00 0.00 O ATOM 404 CB LEU A 26 -6.868 -2.327 4.463 1.00 0.00 C ATOM 405 CG LEU A 26 -5.985 -2.442 3.218 1.00 0.00 C ATOM 406 CD1 LEU A 26 -6.796 -2.936 2.031 1.00 0.00 C ATOM 407 CD2 LEU A 26 -5.331 -1.105 2.903 1.00 0.00 C ATOM 0 H LEU A 26 -8.271 -2.500 6.510 1.00 0.00 H new ATOM 0 HA LEU A 26 -8.066 -4.065 4.134 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.677 -1.627 4.253 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -6.276 -1.897 5.271 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.198 -3.169 3.420 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -6.151 -3.011 1.156 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -7.214 -3.916 2.259 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -7.605 -2.235 1.826 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.707 -1.205 2.015 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.102 -0.356 2.722 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.715 -0.794 3.746 1.00 0.00 H new ATOM 419 N GLY A 27 -5.970 -4.558 6.591 1.00 0.00 N ATOM 420 CA GLY A 27 -4.935 -5.436 7.086 1.00 0.00 C ATOM 421 C GLY A 27 -5.315 -6.891 6.957 1.00 0.00 C ATOM 422 O GLY A 27 -4.635 -7.657 6.274 1.00 0.00 O ATOM 0 H GLY A 27 -6.344 -3.908 7.283 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.012 -5.253 6.537 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.734 -5.206 8.132 1.00 0.00 H new ATOM 426 N LYS A 28 -6.421 -7.263 7.586 1.00 0.00 N ATOM 427 CA LYS A 28 -6.862 -8.650 7.592 1.00 0.00 C ATOM 428 C LYS A 28 -7.132 -9.135 6.175 1.00 0.00 C ATOM 429 O LYS A 28 -6.817 -10.274 5.837 1.00 0.00 O ATOM 430 CB LYS A 28 -8.111 -8.833 8.467 1.00 0.00 C ATOM 431 CG LYS A 28 -9.303 -7.996 8.026 1.00 0.00 C ATOM 432 CD LYS A 28 -10.549 -8.320 8.830 1.00 0.00 C ATOM 433 CE LYS A 28 -11.744 -7.506 8.358 1.00 0.00 C ATOM 434 NZ LYS A 28 -12.981 -7.848 9.105 1.00 0.00 N ATOM 0 H LYS A 28 -7.029 -6.624 8.098 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.059 -9.251 8.019 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -8.396 -9.885 8.460 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.861 -8.577 9.497 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -9.065 -6.938 8.136 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -9.498 -8.171 6.968 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -10.774 -9.383 8.742 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -10.365 -8.119 9.885 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -11.530 -6.444 8.479 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -11.903 -7.680 7.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -13.771 -7.271 8.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -13.201 -8.855 8.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -12.839 -7.658 10.118 1.00 0.00 H new ATOM 448 N ARG A 29 -7.693 -8.253 5.349 1.00 0.00 N ATOM 449 CA ARG A 29 -7.990 -8.577 3.961 1.00 0.00 C ATOM 450 C ARG A 29 -6.728 -9.037 3.243 1.00 0.00 C ATOM 451 O ARG A 29 -6.716 -10.081 2.601 1.00 0.00 O ATOM 452 CB ARG A 29 -8.586 -7.362 3.243 1.00 0.00 C ATOM 453 CG ARG A 29 -9.004 -7.643 1.807 1.00 0.00 C ATOM 454 CD ARG A 29 -9.535 -6.390 1.125 1.00 0.00 C ATOM 455 NE ARG A 29 -9.973 -6.661 -0.241 1.00 0.00 N ATOM 456 CZ ARG A 29 -10.619 -5.786 -1.012 1.00 0.00 C ATOM 457 NH1 ARG A 29 -10.903 -4.568 -0.563 1.00 0.00 N ATOM 458 NH2 ARG A 29 -10.993 -6.142 -2.234 1.00 0.00 N ATOM 0 H ARG A 29 -7.951 -7.305 5.622 1.00 0.00 H new ATOM 0 HA ARG A 29 -8.720 -9.386 3.946 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -9.453 -7.010 3.802 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -7.855 -6.554 3.247 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -8.152 -8.029 1.248 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -9.771 -8.418 1.795 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -10.368 -5.988 1.701 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -8.758 -5.626 1.113 1.00 0.00 H new ATOM 0 HE ARG A 29 -9.771 -7.581 -0.632 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -10.626 -4.295 0.380 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -11.398 -3.906 -1.161 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -10.786 -7.080 -2.578 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -11.488 -5.478 -2.830 1.00 0.00 H new ATOM 472 N ILE A 30 -5.662 -8.267 3.383 1.00 0.00 N ATOM 473 CA ILE A 30 -4.412 -8.585 2.716 1.00 0.00 C ATOM 474 C ILE A 30 -3.721 -9.774 3.373 1.00 0.00 C ATOM 475 O ILE A 30 -3.275 -10.690 2.694 1.00 0.00 O ATOM 476 CB ILE A 30 -3.453 -7.378 2.718 1.00 0.00 C ATOM 477 CG1 ILE A 30 -4.098 -6.187 2.009 1.00 0.00 C ATOM 478 CG2 ILE A 30 -2.138 -7.748 2.047 1.00 0.00 C ATOM 479 CD1 ILE A 30 -3.294 -4.912 2.114 1.00 0.00 C ATOM 0 H ILE A 30 -5.637 -7.420 3.951 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.660 -8.841 1.686 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.248 -7.096 3.751 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.237 -6.433 0.956 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.089 -6.017 2.430 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -1.470 -6.887 2.055 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.673 -8.573 2.587 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.327 -8.050 1.017 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.813 -4.110 1.588 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.177 -4.641 3.163 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.312 -5.063 1.667 1.00 0.00 H new ATOM 491 N TYR A 31 -3.655 -9.769 4.696 1.00 0.00 N ATOM 492 CA TYR A 31 -2.901 -10.784 5.424 1.00 0.00 C ATOM 493 C TYR A 31 -3.466 -12.193 5.230 1.00 0.00 C ATOM 494 O TYR A 31 -2.727 -13.170 5.343 1.00 0.00 O ATOM 495 CB TYR A 31 -2.832 -10.441 6.916 1.00 0.00 C ATOM 496 CG TYR A 31 -2.051 -9.176 7.222 1.00 0.00 C ATOM 497 CD1 TYR A 31 -0.979 -8.783 6.429 1.00 0.00 C ATOM 498 CD2 TYR A 31 -2.380 -8.384 8.313 1.00 0.00 C ATOM 499 CE1 TYR A 31 -0.264 -7.635 6.711 1.00 0.00 C ATOM 500 CE2 TYR A 31 -1.668 -7.232 8.602 1.00 0.00 C ATOM 501 CZ TYR A 31 -0.611 -6.865 7.797 1.00 0.00 C ATOM 502 OH TYR A 31 0.105 -5.723 8.080 1.00 0.00 O ATOM 0 H TYR A 31 -4.113 -9.076 5.288 1.00 0.00 H new ATOM 0 HA TYR A 31 -1.894 -10.783 5.007 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -3.846 -10.332 7.301 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -2.377 -11.275 7.450 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -0.700 -9.386 5.577 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -3.205 -8.671 8.948 1.00 0.00 H new ATOM 0 HE1 TYR A 31 0.564 -7.343 6.082 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -1.939 -6.625 9.453 1.00 0.00 H new ATOM 0 HH TYR A 31 -0.268 -5.293 8.878 1.00 0.00 H new ATOM 512 N ASN A 32 -4.760 -12.310 4.937 1.00 0.00 N ATOM 513 CA ASN A 32 -5.353 -13.634 4.731 1.00 0.00 C ATOM 514 C ASN A 32 -5.587 -13.933 3.246 1.00 0.00 C ATOM 515 O ASN A 32 -6.078 -15.004 2.893 1.00 0.00 O ATOM 516 CB ASN A 32 -6.654 -13.807 5.540 1.00 0.00 C ATOM 517 CG ASN A 32 -7.923 -13.319 4.844 1.00 0.00 C ATOM 518 OD1 ASN A 32 -8.986 -13.921 4.996 1.00 0.00 O ATOM 519 ND2 ASN A 32 -7.841 -12.224 4.111 1.00 0.00 N ATOM 0 H ASN A 32 -5.406 -11.527 4.838 1.00 0.00 H new ATOM 0 HA ASN A 32 -4.631 -14.362 5.101 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -6.775 -14.863 5.782 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -6.549 -13.274 6.485 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -8.673 -11.854 3.652 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -6.945 -11.748 4.004 1.00 0.00 H new ATOM 526 N GLU A 33 -5.230 -12.991 2.379 1.00 0.00 N ATOM 527 CA GLU A 33 -5.372 -13.192 0.938 1.00 0.00 C ATOM 528 C GLU A 33 -4.019 -13.080 0.236 1.00 0.00 C ATOM 529 O GLU A 33 -3.909 -13.299 -0.972 1.00 0.00 O ATOM 530 CB GLU A 33 -6.367 -12.188 0.339 1.00 0.00 C ATOM 531 CG GLU A 33 -7.818 -12.485 0.690 1.00 0.00 C ATOM 532 CD GLU A 33 -8.790 -11.448 0.151 1.00 0.00 C ATOM 533 OE1 GLU A 33 -8.764 -11.161 -1.069 1.00 0.00 O ATOM 534 OE2 GLU A 33 -9.605 -10.921 0.941 1.00 0.00 O ATOM 0 H GLU A 33 -4.842 -12.086 2.645 1.00 0.00 H new ATOM 0 HA GLU A 33 -5.761 -14.198 0.780 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.115 -11.187 0.689 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -6.258 -12.184 -0.746 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -8.087 -13.465 0.296 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -7.919 -12.539 1.774 1.00 0.00 H new ATOM 541 N ILE A 34 -2.990 -12.746 0.999 1.00 0.00 N ATOM 542 CA ILE A 34 -1.652 -12.587 0.461 1.00 0.00 C ATOM 543 C ILE A 34 -0.643 -13.383 1.276 1.00 0.00 C ATOM 544 O ILE A 34 -0.696 -13.410 2.505 1.00 0.00 O ATOM 545 CB ILE A 34 -1.256 -11.091 0.401 1.00 0.00 C ATOM 546 CG1 ILE A 34 -1.806 -10.460 -0.878 1.00 0.00 C ATOM 547 CG2 ILE A 34 0.254 -10.891 0.485 1.00 0.00 C ATOM 548 CD1 ILE A 34 -1.247 -11.086 -2.141 1.00 0.00 C ATOM 0 H ILE A 34 -3.060 -12.579 2.003 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.648 -12.978 -0.556 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.693 -10.598 1.269 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.892 -10.554 -0.884 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.578 -9.394 -0.877 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.483 -9.826 0.439 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.624 -11.301 1.425 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.736 -11.402 -0.349 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.677 -10.593 -3.013 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.163 -10.969 -2.156 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.498 -12.147 -2.163 1.00 0.00 H new ATOM 560 N SER A 35 0.262 -14.039 0.570 1.00 0.00 N ATOM 561 CA SER A 35 1.273 -14.871 1.189 1.00 0.00 C ATOM 562 C SER A 35 2.565 -14.087 1.396 1.00 0.00 C ATOM 563 O SER A 35 2.728 -12.979 0.880 1.00 0.00 O ATOM 564 CB SER A 35 1.528 -16.094 0.304 1.00 0.00 C ATOM 565 OG SER A 35 2.509 -16.954 0.859 1.00 0.00 O ATOM 0 H SER A 35 0.314 -14.008 -0.448 1.00 0.00 H new ATOM 0 HA SER A 35 0.918 -15.197 2.167 1.00 0.00 H new ATOM 0 HB2 SER A 35 0.597 -16.645 0.169 1.00 0.00 H new ATOM 0 HB3 SER A 35 1.850 -15.766 -0.684 1.00 0.00 H new ATOM 0 HG SER A 35 3.185 -17.161 0.180 1.00 0.00 H new ATOM 571 N LYS A 36 3.476 -14.695 2.140 1.00 0.00 N ATOM 572 CA LYS A 36 4.786 -14.119 2.429 1.00 0.00 C ATOM 573 C LYS A 36 5.502 -13.726 1.145 1.00 0.00 C ATOM 574 O LYS A 36 6.082 -12.646 1.047 1.00 0.00 O ATOM 575 CB LYS A 36 5.649 -15.135 3.184 1.00 0.00 C ATOM 576 CG LYS A 36 5.074 -15.581 4.517 1.00 0.00 C ATOM 577 CD LYS A 36 5.162 -14.490 5.566 1.00 0.00 C ATOM 578 CE LYS A 36 4.745 -15.002 6.936 1.00 0.00 C ATOM 579 NZ LYS A 36 5.578 -16.150 7.380 1.00 0.00 N ATOM 0 H LYS A 36 3.328 -15.610 2.565 1.00 0.00 H new ATOM 0 HA LYS A 36 4.634 -13.229 3.040 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.792 -16.012 2.553 1.00 0.00 H new ATOM 0 HB3 LYS A 36 6.634 -14.701 3.354 1.00 0.00 H new ATOM 0 HG2 LYS A 36 4.032 -15.872 4.383 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.610 -16.464 4.866 1.00 0.00 H new ATOM 0 HD2 LYS A 36 6.183 -14.110 5.613 1.00 0.00 H new ATOM 0 HD3 LYS A 36 4.524 -13.654 5.278 1.00 0.00 H new ATOM 0 HE2 LYS A 36 4.824 -14.194 7.664 1.00 0.00 H new ATOM 0 HE3 LYS A 36 3.698 -15.304 6.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 5.574 -16.201 8.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.190 -17.032 6.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 6.554 -16.022 7.043 1.00 0.00 H new ATOM 593 N ASP A 37 5.445 -14.617 0.164 1.00 0.00 N ATOM 594 CA ASP A 37 6.139 -14.426 -1.104 1.00 0.00 C ATOM 595 C ASP A 37 5.532 -13.281 -1.905 1.00 0.00 C ATOM 596 O ASP A 37 6.250 -12.401 -2.377 1.00 0.00 O ATOM 597 CB ASP A 37 6.113 -15.723 -1.919 1.00 0.00 C ATOM 598 CG ASP A 37 4.728 -16.329 -2.018 1.00 0.00 C ATOM 599 OD1 ASP A 37 4.332 -17.067 -1.086 1.00 0.00 O ATOM 600 OD2 ASP A 37 4.031 -16.072 -3.017 1.00 0.00 O ATOM 0 H ASP A 37 4.919 -15.489 0.223 1.00 0.00 H new ATOM 0 HA ASP A 37 7.174 -14.164 -0.886 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.489 -15.523 -2.922 1.00 0.00 H new ATOM 0 HB3 ASP A 37 6.789 -16.446 -1.463 1.00 0.00 H new ATOM 605 N ALA A 38 4.211 -13.284 -2.039 1.00 0.00 N ATOM 606 CA ALA A 38 3.508 -12.245 -2.784 1.00 0.00 C ATOM 607 C ALA A 38 3.765 -10.865 -2.180 1.00 0.00 C ATOM 608 O ALA A 38 3.985 -9.892 -2.904 1.00 0.00 O ATOM 609 CB ALA A 38 2.017 -12.548 -2.824 1.00 0.00 C ATOM 0 H ALA A 38 3.602 -13.998 -1.639 1.00 0.00 H new ATOM 0 HA ALA A 38 3.890 -12.236 -3.805 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.502 -11.766 -3.382 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.854 -13.509 -3.311 1.00 0.00 H new ATOM 0 HB3 ALA A 38 1.626 -12.585 -1.807 1.00 0.00 H new ATOM 615 N TRP A 39 3.755 -10.793 -0.850 1.00 0.00 N ATOM 616 CA TRP A 39 4.034 -9.545 -0.148 1.00 0.00 C ATOM 617 C TRP A 39 5.486 -9.129 -0.369 1.00 0.00 C ATOM 618 O TRP A 39 5.776 -7.958 -0.624 1.00 0.00 O ATOM 619 CB TRP A 39 3.750 -9.703 1.351 1.00 0.00 C ATOM 620 CG TRP A 39 3.991 -8.454 2.145 1.00 0.00 C ATOM 621 CD1 TRP A 39 5.155 -8.086 2.754 1.00 0.00 C ATOM 622 CD2 TRP A 39 3.048 -7.411 2.419 1.00 0.00 C ATOM 623 NE1 TRP A 39 4.997 -6.880 3.385 1.00 0.00 N ATOM 624 CE2 TRP A 39 3.712 -6.446 3.197 1.00 0.00 C ATOM 625 CE3 TRP A 39 1.709 -7.198 2.083 1.00 0.00 C ATOM 626 CZ2 TRP A 39 3.084 -5.288 3.644 1.00 0.00 C ATOM 627 CZ3 TRP A 39 1.087 -6.046 2.527 1.00 0.00 C ATOM 628 CH2 TRP A 39 1.774 -5.104 3.302 1.00 0.00 C ATOM 0 H TRP A 39 3.557 -11.585 -0.239 1.00 0.00 H new ATOM 0 HA TRP A 39 3.382 -8.767 -0.546 1.00 0.00 H new ATOM 0 HB2 TRP A 39 2.714 -10.014 1.485 1.00 0.00 H new ATOM 0 HB3 TRP A 39 4.376 -10.502 1.748 1.00 0.00 H new ATOM 0 HD1 TRP A 39 6.069 -8.662 2.741 1.00 0.00 H new ATOM 0 HE1 TRP A 39 5.719 -6.386 3.909 1.00 0.00 H new ATOM 0 HE3 TRP A 39 1.170 -7.920 1.487 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 3.613 -4.560 4.241 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 0.053 -5.870 2.271 1.00 0.00 H new ATOM 0 HH2 TRP A 39 1.259 -4.215 3.636 1.00 0.00 H new ATOM 639 N ALA A 40 6.387 -10.105 -0.290 1.00 0.00 N ATOM 640 CA ALA A 40 7.811 -9.860 -0.486 1.00 0.00 C ATOM 641 C ALA A 40 8.073 -9.284 -1.869 1.00 0.00 C ATOM 642 O ALA A 40 8.798 -8.300 -2.012 1.00 0.00 O ATOM 643 CB ALA A 40 8.605 -11.143 -0.294 1.00 0.00 C ATOM 0 H ALA A 40 6.153 -11.078 -0.090 1.00 0.00 H new ATOM 0 HA ALA A 40 8.135 -9.133 0.259 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.665 -10.941 -0.444 1.00 0.00 H new ATOM 0 HB2 ALA A 40 8.447 -11.521 0.716 1.00 0.00 H new ATOM 0 HB3 ALA A 40 8.272 -11.888 -1.016 1.00 0.00 H new ATOM 649 N GLN A 41 7.466 -9.899 -2.881 1.00 0.00 N ATOM 650 CA GLN A 41 7.601 -9.435 -4.257 1.00 0.00 C ATOM 651 C GLN A 41 7.151 -7.987 -4.381 1.00 0.00 C ATOM 652 O GLN A 41 7.831 -7.165 -4.996 1.00 0.00 O ATOM 653 CB GLN A 41 6.766 -10.297 -5.203 1.00 0.00 C ATOM 654 CG GLN A 41 7.194 -11.753 -5.262 1.00 0.00 C ATOM 655 CD GLN A 41 6.280 -12.585 -6.143 1.00 0.00 C ATOM 656 OE1 GLN A 41 6.093 -13.779 -5.914 1.00 0.00 O ATOM 657 NE2 GLN A 41 5.706 -11.958 -7.162 1.00 0.00 N ATOM 0 H GLN A 41 6.874 -10.723 -2.772 1.00 0.00 H new ATOM 0 HA GLN A 41 8.653 -9.513 -4.530 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.722 -10.249 -4.893 1.00 0.00 H new ATOM 0 HB3 GLN A 41 6.821 -9.873 -6.206 1.00 0.00 H new ATOM 0 HG2 GLN A 41 8.215 -11.815 -5.640 1.00 0.00 H new ATOM 0 HG3 GLN A 41 7.201 -12.169 -4.254 1.00 0.00 H new ATOM 0 HE21 GLN A 41 5.887 -10.966 -7.318 1.00 0.00 H new ATOM 0 HE22 GLN A 41 5.084 -12.468 -7.789 1.00 0.00 H new ATOM 666 N TRP A 42 6.007 -7.684 -3.777 1.00 0.00 N ATOM 667 CA TRP A 42 5.418 -6.356 -3.865 1.00 0.00 C ATOM 668 C TRP A 42 6.327 -5.295 -3.245 1.00 0.00 C ATOM 669 O TRP A 42 6.744 -4.361 -3.925 1.00 0.00 O ATOM 670 CB TRP A 42 4.034 -6.342 -3.202 1.00 0.00 C ATOM 671 CG TRP A 42 3.431 -4.971 -3.061 1.00 0.00 C ATOM 672 CD1 TRP A 42 2.783 -4.482 -1.965 1.00 0.00 C ATOM 673 CD2 TRP A 42 3.425 -3.913 -4.033 1.00 0.00 C ATOM 674 NE1 TRP A 42 2.376 -3.191 -2.191 1.00 0.00 N ATOM 675 CE2 TRP A 42 2.758 -2.817 -3.451 1.00 0.00 C ATOM 676 CE3 TRP A 42 3.919 -3.781 -5.336 1.00 0.00 C ATOM 677 CZ2 TRP A 42 2.575 -1.615 -4.125 1.00 0.00 C ATOM 678 CZ3 TRP A 42 3.737 -2.586 -6.002 1.00 0.00 C ATOM 679 CH2 TRP A 42 3.070 -1.517 -5.394 1.00 0.00 C ATOM 0 H TRP A 42 5.468 -8.346 -3.218 1.00 0.00 H new ATOM 0 HA TRP A 42 5.303 -6.110 -4.921 1.00 0.00 H new ATOM 0 HB2 TRP A 42 3.357 -6.966 -3.786 1.00 0.00 H new ATOM 0 HB3 TRP A 42 4.112 -6.795 -2.214 1.00 0.00 H new ATOM 0 HD1 TRP A 42 2.614 -5.032 -1.051 1.00 0.00 H new ATOM 0 HE1 TRP A 42 1.870 -2.605 -1.527 1.00 0.00 H new ATOM 0 HE3 TRP A 42 4.435 -4.602 -5.813 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 2.059 -0.787 -3.661 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 4.115 -2.474 -7.007 1.00 0.00 H new ATOM 0 HH2 TRP A 42 2.944 -0.594 -5.940 1.00 0.00 H new ATOM 690 N GLN A 43 6.647 -5.441 -1.965 1.00 0.00 N ATOM 691 CA GLN A 43 7.444 -4.433 -1.275 1.00 0.00 C ATOM 692 C GLN A 43 8.854 -4.343 -1.848 1.00 0.00 C ATOM 693 O GLN A 43 9.466 -3.276 -1.833 1.00 0.00 O ATOM 694 CB GLN A 43 7.502 -4.710 0.223 1.00 0.00 C ATOM 695 CG GLN A 43 6.169 -4.505 0.924 1.00 0.00 C ATOM 696 CD GLN A 43 6.322 -3.821 2.267 1.00 0.00 C ATOM 697 OE1 GLN A 43 6.496 -4.468 3.297 1.00 0.00 O ATOM 698 NE2 GLN A 43 6.253 -2.500 2.263 1.00 0.00 N ATOM 0 H GLN A 43 6.371 -6.237 -1.389 1.00 0.00 H new ATOM 0 HA GLN A 43 6.953 -3.473 -1.433 1.00 0.00 H new ATOM 0 HB2 GLN A 43 7.835 -5.735 0.383 1.00 0.00 H new ATOM 0 HB3 GLN A 43 8.248 -4.058 0.678 1.00 0.00 H new ATOM 0 HG2 GLN A 43 5.515 -3.908 0.288 1.00 0.00 H new ATOM 0 HG3 GLN A 43 5.683 -5.471 1.064 1.00 0.00 H new ATOM 0 HE21 GLN A 43 6.108 -2.000 1.386 1.00 0.00 H new ATOM 0 HE22 GLN A 43 6.345 -1.982 3.137 1.00 0.00 H new ATOM 707 N HIS A 44 9.365 -5.455 -2.362 1.00 0.00 N ATOM 708 CA HIS A 44 10.690 -5.468 -2.972 1.00 0.00 C ATOM 709 C HIS A 44 10.684 -4.635 -4.251 1.00 0.00 C ATOM 710 O HIS A 44 11.562 -3.797 -4.465 1.00 0.00 O ATOM 711 CB HIS A 44 11.118 -6.901 -3.287 1.00 0.00 C ATOM 712 CG HIS A 44 12.581 -7.050 -3.542 1.00 0.00 C ATOM 713 ND1 HIS A 44 13.104 -7.353 -4.777 1.00 0.00 N ATOM 714 CD2 HIS A 44 13.636 -6.959 -2.701 1.00 0.00 C ATOM 715 CE1 HIS A 44 14.415 -7.443 -4.686 1.00 0.00 C ATOM 716 NE2 HIS A 44 14.764 -7.209 -3.437 1.00 0.00 N ATOM 0 H HIS A 44 8.886 -6.355 -2.369 1.00 0.00 H new ATOM 0 HA HIS A 44 11.402 -5.037 -2.268 1.00 0.00 H new ATOM 0 HB2 HIS A 44 10.836 -7.546 -2.455 1.00 0.00 H new ATOM 0 HB3 HIS A 44 10.569 -7.251 -4.161 1.00 0.00 H new ATOM 0 HD2 HIS A 44 13.597 -6.732 -1.646 1.00 0.00 H new ATOM 0 HE1 HIS A 44 15.090 -7.670 -5.498 1.00 0.00 H new ATOM 0 HE2 HIS A 44 15.718 -7.213 -3.077 1.00 0.00 H new ATOM 725 N LYS A 45 9.679 -4.874 -5.089 1.00 0.00 N ATOM 726 CA LYS A 45 9.488 -4.103 -6.312 1.00 0.00 C ATOM 727 C LYS A 45 9.247 -2.631 -5.974 1.00 0.00 C ATOM 728 O LYS A 45 9.830 -1.733 -6.586 1.00 0.00 O ATOM 729 CB LYS A 45 8.300 -4.670 -7.101 1.00 0.00 C ATOM 730 CG LYS A 45 7.908 -3.844 -8.320 1.00 0.00 C ATOM 731 CD LYS A 45 8.972 -3.878 -9.408 1.00 0.00 C ATOM 732 CE LYS A 45 9.102 -5.259 -10.032 1.00 0.00 C ATOM 733 NZ LYS A 45 10.014 -5.246 -11.207 1.00 0.00 N ATOM 0 H LYS A 45 8.980 -5.602 -4.941 1.00 0.00 H new ATOM 0 HA LYS A 45 10.387 -4.175 -6.924 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.543 -5.682 -7.425 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.440 -4.746 -6.436 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.967 -4.219 -8.723 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.735 -2.812 -8.016 1.00 0.00 H new ATOM 0 HD2 LYS A 45 8.723 -3.152 -10.182 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.932 -3.578 -8.987 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.477 -5.961 -9.288 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.118 -5.614 -10.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 10.079 -6.204 -11.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 9.643 -4.594 -11.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 10.959 -4.931 -10.909 1.00 0.00 H new ATOM 747 N GLN A 46 8.395 -2.405 -4.980 1.00 0.00 N ATOM 748 CA GLN A 46 8.062 -1.063 -4.520 1.00 0.00 C ATOM 749 C GLN A 46 9.312 -0.307 -4.074 1.00 0.00 C ATOM 750 O GLN A 46 9.529 0.835 -4.480 1.00 0.00 O ATOM 751 CB GLN A 46 7.047 -1.145 -3.376 1.00 0.00 C ATOM 752 CG GLN A 46 6.719 0.192 -2.738 1.00 0.00 C ATOM 753 CD GLN A 46 5.583 0.094 -1.743 1.00 0.00 C ATOM 754 OE1 GLN A 46 5.792 -0.170 -0.559 1.00 0.00 O ATOM 755 NE2 GLN A 46 4.371 0.309 -2.221 1.00 0.00 N ATOM 0 H GLN A 46 7.916 -3.148 -4.471 1.00 0.00 H new ATOM 0 HA GLN A 46 7.621 -0.512 -5.351 1.00 0.00 H new ATOM 0 HB2 GLN A 46 6.126 -1.590 -3.753 1.00 0.00 H new ATOM 0 HB3 GLN A 46 7.434 -1.816 -2.609 1.00 0.00 H new ATOM 0 HG2 GLN A 46 7.606 0.579 -2.236 1.00 0.00 H new ATOM 0 HG3 GLN A 46 6.456 0.908 -3.517 1.00 0.00 H new ATOM 0 HE21 GLN A 46 4.244 0.525 -3.210 1.00 0.00 H new ATOM 0 HE22 GLN A 46 3.562 0.259 -1.602 1.00 0.00 H new ATOM 764 N THR A 47 10.131 -0.953 -3.248 1.00 0.00 N ATOM 765 CA THR A 47 11.376 -0.358 -2.773 1.00 0.00 C ATOM 766 C THR A 47 12.234 0.130 -3.942 1.00 0.00 C ATOM 767 O THR A 47 12.760 1.248 -3.919 1.00 0.00 O ATOM 768 CB THR A 47 12.183 -1.364 -1.926 1.00 0.00 C ATOM 769 OG1 THR A 47 11.425 -1.746 -0.770 1.00 0.00 O ATOM 770 CG2 THR A 47 13.518 -0.773 -1.487 1.00 0.00 C ATOM 0 H THR A 47 9.953 -1.892 -2.893 1.00 0.00 H new ATOM 0 HA THR A 47 11.110 0.496 -2.150 1.00 0.00 H new ATOM 0 HB THR A 47 12.382 -2.240 -2.543 1.00 0.00 H new ATOM 0 HG1 THR A 47 10.647 -2.273 -1.048 1.00 0.00 H new ATOM 0 HG21 THR A 47 14.063 -1.506 -0.892 1.00 0.00 H new ATOM 0 HG22 THR A 47 14.106 -0.510 -2.366 1.00 0.00 H new ATOM 0 HG23 THR A 47 13.341 0.120 -0.888 1.00 0.00 H new ATOM 778 N MET A 48 12.346 -0.703 -4.971 1.00 0.00 N ATOM 779 CA MET A 48 13.138 -0.363 -6.147 1.00 0.00 C ATOM 780 C MET A 48 12.562 0.855 -6.862 1.00 0.00 C ATOM 781 O MET A 48 13.277 1.816 -7.136 1.00 0.00 O ATOM 782 CB MET A 48 13.219 -1.555 -7.109 1.00 0.00 C ATOM 783 CG MET A 48 13.976 -1.252 -8.398 1.00 0.00 C ATOM 784 SD MET A 48 15.641 -0.615 -8.112 1.00 0.00 S ATOM 785 CE MET A 48 16.402 -2.001 -7.271 1.00 0.00 C ATOM 0 H MET A 48 11.898 -1.618 -5.014 1.00 0.00 H new ATOM 0 HA MET A 48 14.145 -0.117 -5.811 1.00 0.00 H new ATOM 0 HB2 MET A 48 13.704 -2.389 -6.601 1.00 0.00 H new ATOM 0 HB3 MET A 48 12.208 -1.878 -7.359 1.00 0.00 H new ATOM 0 HG2 MET A 48 14.039 -2.161 -8.997 1.00 0.00 H new ATOM 0 HG3 MET A 48 13.411 -0.525 -8.981 1.00 0.00 H new ATOM 0 HE1 MET A 48 17.478 -1.839 -7.203 1.00 0.00 H new ATOM 0 HE2 MET A 48 15.985 -2.092 -6.268 1.00 0.00 H new ATOM 0 HE3 MET A 48 16.207 -2.917 -7.829 1.00 0.00 H new ATOM 795 N LEU A 49 11.265 0.826 -7.138 1.00 0.00 N ATOM 796 CA LEU A 49 10.615 1.905 -7.878 1.00 0.00 C ATOM 797 C LEU A 49 10.624 3.219 -7.101 1.00 0.00 C ATOM 798 O LEU A 49 10.778 4.292 -7.686 1.00 0.00 O ATOM 799 CB LEU A 49 9.181 1.518 -8.238 1.00 0.00 C ATOM 800 CG LEU A 49 9.018 0.775 -9.570 1.00 0.00 C ATOM 801 CD1 LEU A 49 9.859 -0.489 -9.602 1.00 0.00 C ATOM 802 CD2 LEU A 49 7.556 0.440 -9.817 1.00 0.00 C ATOM 0 H LEU A 49 10.640 0.068 -6.862 1.00 0.00 H new ATOM 0 HA LEU A 49 11.187 2.059 -8.793 1.00 0.00 H new ATOM 0 HB2 LEU A 49 8.780 0.893 -7.440 1.00 0.00 H new ATOM 0 HB3 LEU A 49 8.575 2.423 -8.269 1.00 0.00 H new ATOM 0 HG LEU A 49 9.368 1.434 -10.364 1.00 0.00 H new ATOM 0 HD11 LEU A 49 9.722 -0.993 -10.559 1.00 0.00 H new ATOM 0 HD12 LEU A 49 10.910 -0.230 -9.476 1.00 0.00 H new ATOM 0 HD13 LEU A 49 9.549 -1.153 -8.795 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.459 -0.087 -10.766 1.00 0.00 H new ATOM 0 HD22 LEU A 49 7.187 -0.194 -9.011 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.973 1.360 -9.851 1.00 0.00 H new ATOM 814 N ILE A 50 10.461 3.134 -5.787 1.00 0.00 N ATOM 815 CA ILE A 50 10.447 4.322 -4.936 1.00 0.00 C ATOM 816 C ILE A 50 11.804 5.026 -4.948 1.00 0.00 C ATOM 817 O ILE A 50 11.873 6.259 -4.923 1.00 0.00 O ATOM 818 CB ILE A 50 10.015 3.975 -3.482 1.00 0.00 C ATOM 819 CG1 ILE A 50 8.500 4.154 -3.316 1.00 0.00 C ATOM 820 CG2 ILE A 50 10.757 4.822 -2.450 1.00 0.00 C ATOM 821 CD1 ILE A 50 7.660 3.331 -4.268 1.00 0.00 C ATOM 0 H ILE A 50 10.336 2.255 -5.285 1.00 0.00 H new ATOM 0 HA ILE A 50 9.707 5.009 -5.347 1.00 0.00 H new ATOM 0 HB ILE A 50 10.276 2.931 -3.306 1.00 0.00 H new ATOM 0 HG12 ILE A 50 8.227 3.894 -2.293 1.00 0.00 H new ATOM 0 HG13 ILE A 50 8.255 5.207 -3.453 1.00 0.00 H new ATOM 0 HG21 ILE A 50 10.426 4.548 -1.448 1.00 0.00 H new ATOM 0 HG22 ILE A 50 11.829 4.647 -2.538 1.00 0.00 H new ATOM 0 HG23 ILE A 50 10.546 5.877 -2.626 1.00 0.00 H new ATOM 0 HD11 ILE A 50 6.604 3.521 -4.078 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.899 3.606 -5.295 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.871 2.272 -4.117 1.00 0.00 H new ATOM 833 N ASN A 51 12.877 4.247 -5.020 1.00 0.00 N ATOM 834 CA ASN A 51 14.225 4.812 -5.043 1.00 0.00 C ATOM 835 C ASN A 51 14.639 5.168 -6.465 1.00 0.00 C ATOM 836 O ASN A 51 15.505 6.018 -6.677 1.00 0.00 O ATOM 837 CB ASN A 51 15.237 3.839 -4.428 1.00 0.00 C ATOM 838 CG ASN A 51 15.156 3.799 -2.913 1.00 0.00 C ATOM 839 OD1 ASN A 51 15.823 4.571 -2.227 1.00 0.00 O ATOM 840 ND2 ASN A 51 14.343 2.898 -2.381 1.00 0.00 N ATOM 0 H ASN A 51 12.843 3.228 -5.063 1.00 0.00 H new ATOM 0 HA ASN A 51 14.214 5.723 -4.445 1.00 0.00 H new ATOM 0 HB2 ASN A 51 15.062 2.839 -4.825 1.00 0.00 H new ATOM 0 HB3 ASN A 51 16.244 4.129 -4.728 1.00 0.00 H new ATOM 0 HD21 ASN A 51 14.254 2.827 -1.367 1.00 0.00 H new ATOM 0 HD22 ASN A 51 13.806 2.275 -2.985 1.00 0.00 H new ATOM 847 N GLU A 52 14.013 4.512 -7.431 1.00 0.00 N ATOM 848 CA GLU A 52 14.281 4.768 -8.841 1.00 0.00 C ATOM 849 C GLU A 52 13.610 6.060 -9.295 1.00 0.00 C ATOM 850 O GLU A 52 14.267 6.979 -9.786 1.00 0.00 O ATOM 851 CB GLU A 52 13.765 3.600 -9.683 1.00 0.00 C ATOM 852 CG GLU A 52 13.995 3.765 -11.172 1.00 0.00 C ATOM 853 CD GLU A 52 13.361 2.652 -11.975 1.00 0.00 C ATOM 854 OE1 GLU A 52 12.176 2.784 -12.342 1.00 0.00 O ATOM 855 OE2 GLU A 52 14.042 1.640 -12.244 1.00 0.00 O ATOM 0 H GLU A 52 13.310 3.792 -7.263 1.00 0.00 H new ATOM 0 HA GLU A 52 15.358 4.871 -8.974 1.00 0.00 H new ATOM 0 HB2 GLU A 52 14.251 2.683 -9.350 1.00 0.00 H new ATOM 0 HB3 GLU A 52 12.697 3.479 -9.502 1.00 0.00 H new ATOM 0 HG2 GLU A 52 13.588 4.722 -11.497 1.00 0.00 H new ATOM 0 HG3 GLU A 52 15.066 3.790 -11.372 1.00 0.00 H new ATOM 862 N LYS A 53 12.298 6.126 -9.106 1.00 0.00 N ATOM 863 CA LYS A 53 11.505 7.249 -9.584 1.00 0.00 C ATOM 864 C LYS A 53 11.557 8.412 -8.601 1.00 0.00 C ATOM 865 O LYS A 53 11.058 9.497 -8.892 1.00 0.00 O ATOM 866 CB LYS A 53 10.053 6.812 -9.793 1.00 0.00 C ATOM 867 CG LYS A 53 9.900 5.622 -10.725 1.00 0.00 C ATOM 868 CD LYS A 53 8.454 5.159 -10.794 1.00 0.00 C ATOM 869 CE LYS A 53 8.300 3.915 -11.658 1.00 0.00 C ATOM 870 NZ LYS A 53 8.640 4.174 -13.083 1.00 0.00 N ATOM 0 H LYS A 53 11.758 5.409 -8.621 1.00 0.00 H new ATOM 0 HA LYS A 53 11.924 7.582 -10.533 1.00 0.00 H new ATOM 0 HB2 LYS A 53 9.615 6.563 -8.826 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.485 7.651 -10.194 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.246 5.892 -11.723 1.00 0.00 H new ATOM 0 HG3 LYS A 53 10.531 4.803 -10.379 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.091 4.950 -9.788 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.834 5.960 -11.197 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.943 3.124 -11.271 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.274 3.553 -11.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 8.424 3.330 -13.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 8.081 4.978 -13.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.653 4.395 -13.163 1.00 0.00 H new ATOM 884 N LYS A 54 12.165 8.165 -7.441 1.00 0.00 N ATOM 885 CA LYS A 54 12.301 9.178 -6.392 1.00 0.00 C ATOM 886 C LYS A 54 10.930 9.644 -5.912 1.00 0.00 C ATOM 887 O LYS A 54 10.525 10.787 -6.140 1.00 0.00 O ATOM 888 CB LYS A 54 13.130 10.366 -6.890 1.00 0.00 C ATOM 889 CG LYS A 54 14.532 9.984 -7.334 1.00 0.00 C ATOM 890 CD LYS A 54 15.216 11.122 -8.074 1.00 0.00 C ATOM 891 CE LYS A 54 14.524 11.421 -9.396 1.00 0.00 C ATOM 892 NZ LYS A 54 15.163 12.550 -10.115 1.00 0.00 N ATOM 0 H LYS A 54 12.575 7.262 -7.202 1.00 0.00 H new ATOM 0 HA LYS A 54 12.824 8.726 -5.549 1.00 0.00 H new ATOM 0 HB2 LYS A 54 12.610 10.838 -7.723 1.00 0.00 H new ATOM 0 HB3 LYS A 54 13.199 11.109 -6.095 1.00 0.00 H new ATOM 0 HG2 LYS A 54 15.127 9.706 -6.464 1.00 0.00 H new ATOM 0 HG3 LYS A 54 14.483 9.107 -7.980 1.00 0.00 H new ATOM 0 HD2 LYS A 54 15.214 12.016 -7.451 1.00 0.00 H new ATOM 0 HD3 LYS A 54 16.259 10.863 -8.258 1.00 0.00 H new ATOM 0 HE2 LYS A 54 14.546 10.532 -10.026 1.00 0.00 H new ATOM 0 HE3 LYS A 54 13.476 11.656 -9.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 14.661 12.720 -11.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 15.120 13.406 -9.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 16.157 12.317 -10.315 1.00 0.00 H new ATOM 906 N LEU A 55 10.212 8.740 -5.263 1.00 0.00 N ATOM 907 CA LEU A 55 8.876 9.036 -4.776 1.00 0.00 C ATOM 908 C LEU A 55 8.912 9.281 -3.276 1.00 0.00 C ATOM 909 O LEU A 55 9.454 8.473 -2.522 1.00 0.00 O ATOM 910 CB LEU A 55 7.918 7.883 -5.094 1.00 0.00 C ATOM 911 CG LEU A 55 7.874 7.448 -6.560 1.00 0.00 C ATOM 912 CD1 LEU A 55 6.843 6.349 -6.753 1.00 0.00 C ATOM 913 CD2 LEU A 55 7.573 8.632 -7.467 1.00 0.00 C ATOM 0 H LEU A 55 10.534 7.793 -5.062 1.00 0.00 H new ATOM 0 HA LEU A 55 8.516 9.934 -5.278 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.198 7.023 -4.486 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.913 8.174 -4.789 1.00 0.00 H new ATOM 0 HG LEU A 55 8.854 7.056 -6.832 1.00 0.00 H new ATOM 0 HD11 LEU A 55 6.823 6.049 -7.801 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.106 5.491 -6.135 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.859 6.718 -6.462 1.00 0.00 H new ATOM 0 HD21 LEU A 55 7.547 8.298 -8.504 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.607 9.059 -7.199 1.00 0.00 H new ATOM 0 HD23 LEU A 55 8.350 9.388 -7.349 1.00 0.00 H new ATOM 925 N ASN A 56 8.361 10.404 -2.849 1.00 0.00 N ATOM 926 CA ASN A 56 8.300 10.726 -1.434 1.00 0.00 C ATOM 927 C ASN A 56 6.875 10.621 -0.922 1.00 0.00 C ATOM 928 O ASN A 56 5.929 11.031 -1.599 1.00 0.00 O ATOM 929 CB ASN A 56 8.854 12.127 -1.167 1.00 0.00 C ATOM 930 CG ASN A 56 10.356 12.207 -1.363 1.00 0.00 C ATOM 931 OD1 ASN A 56 10.837 12.554 -2.442 1.00 0.00 O ATOM 932 ND2 ASN A 56 11.108 11.875 -0.326 1.00 0.00 N ATOM 0 H ASN A 56 7.950 11.108 -3.462 1.00 0.00 H new ATOM 0 HA ASN A 56 8.918 10.004 -0.900 1.00 0.00 H new ATOM 0 HB2 ASN A 56 8.366 12.840 -1.832 1.00 0.00 H new ATOM 0 HB3 ASN A 56 8.608 12.423 -0.147 1.00 0.00 H new ATOM 0 HD21 ASN A 56 12.125 11.901 -0.404 1.00 0.00 H new ATOM 0 HD22 ASN A 56 10.671 11.593 0.551 1.00 0.00 H new ATOM 939 N MET A 57 6.729 10.079 0.277 1.00 0.00 N ATOM 940 CA MET A 57 5.421 9.921 0.898 1.00 0.00 C ATOM 941 C MET A 57 5.014 11.200 1.613 1.00 0.00 C ATOM 942 O MET A 57 4.041 11.225 2.365 1.00 0.00 O ATOM 943 CB MET A 57 5.420 8.744 1.877 1.00 0.00 C ATOM 944 CG MET A 57 5.446 7.381 1.201 1.00 0.00 C ATOM 945 SD MET A 57 6.972 7.068 0.294 1.00 0.00 S ATOM 946 CE MET A 57 6.538 5.555 -0.553 1.00 0.00 C ATOM 0 H MET A 57 7.506 9.739 0.844 1.00 0.00 H new ATOM 0 HA MET A 57 4.696 9.713 0.111 1.00 0.00 H new ATOM 0 HB2 MET A 57 6.286 8.830 2.534 1.00 0.00 H new ATOM 0 HB3 MET A 57 4.533 8.809 2.508 1.00 0.00 H new ATOM 0 HG2 MET A 57 5.314 6.606 1.956 1.00 0.00 H new ATOM 0 HG3 MET A 57 4.602 7.306 0.516 1.00 0.00 H new ATOM 0 HE1 MET A 57 7.339 4.826 -0.428 1.00 0.00 H new ATOM 0 HE2 MET A 57 5.615 5.155 -0.134 1.00 0.00 H new ATOM 0 HE3 MET A 57 6.396 5.760 -1.614 1.00 0.00 H new ATOM 956 N MET A 58 5.774 12.259 1.369 1.00 0.00 N ATOM 957 CA MET A 58 5.450 13.576 1.896 1.00 0.00 C ATOM 958 C MET A 58 4.236 14.132 1.165 1.00 0.00 C ATOM 959 O MET A 58 3.462 14.912 1.717 1.00 0.00 O ATOM 960 CB MET A 58 6.638 14.524 1.732 1.00 0.00 C ATOM 961 CG MET A 58 7.909 14.038 2.407 1.00 0.00 C ATOM 962 SD MET A 58 9.314 15.133 2.123 1.00 0.00 S ATOM 963 CE MET A 58 10.614 14.210 2.939 1.00 0.00 C ATOM 0 H MET A 58 6.624 12.230 0.806 1.00 0.00 H new ATOM 0 HA MET A 58 5.224 13.486 2.958 1.00 0.00 H new ATOM 0 HB2 MET A 58 6.834 14.665 0.669 1.00 0.00 H new ATOM 0 HB3 MET A 58 6.371 15.499 2.140 1.00 0.00 H new ATOM 0 HG2 MET A 58 7.734 13.949 3.479 1.00 0.00 H new ATOM 0 HG3 MET A 58 8.151 13.041 2.040 1.00 0.00 H new ATOM 0 HE1 MET A 58 11.555 14.754 2.854 1.00 0.00 H new ATOM 0 HE2 MET A 58 10.363 14.081 3.992 1.00 0.00 H new ATOM 0 HE3 MET A 58 10.717 13.232 2.468 1.00 0.00 H new ATOM 973 N ASN A 59 4.078 13.713 -0.083 1.00 0.00 N ATOM 974 CA ASN A 59 2.942 14.126 -0.891 1.00 0.00 C ATOM 975 C ASN A 59 1.903 13.016 -0.932 1.00 0.00 C ATOM 976 O ASN A 59 2.217 11.875 -1.287 1.00 0.00 O ATOM 977 CB ASN A 59 3.382 14.464 -2.320 1.00 0.00 C ATOM 978 CG ASN A 59 4.415 15.569 -2.375 1.00 0.00 C ATOM 979 OD1 ASN A 59 5.622 15.314 -2.355 1.00 0.00 O ATOM 980 ND2 ASN A 59 3.952 16.805 -2.448 1.00 0.00 N ATOM 0 H ASN A 59 4.726 13.085 -0.558 1.00 0.00 H new ATOM 0 HA ASN A 59 2.509 15.018 -0.438 1.00 0.00 H new ATOM 0 HB2 ASN A 59 3.790 13.569 -2.790 1.00 0.00 H new ATOM 0 HB3 ASN A 59 2.510 14.760 -2.902 1.00 0.00 H new ATOM 0 HD21 ASN A 59 4.601 17.591 -2.490 1.00 0.00 H new ATOM 0 HD22 ASN A 59 2.946 16.973 -2.462 1.00 0.00 H new ATOM 987 N ALA A 60 0.669 13.353 -0.584 1.00 0.00 N ATOM 988 CA ALA A 60 -0.425 12.390 -0.578 1.00 0.00 C ATOM 989 C ALA A 60 -0.711 11.884 -1.986 1.00 0.00 C ATOM 990 O ALA A 60 -1.324 10.830 -2.169 1.00 0.00 O ATOM 991 CB ALA A 60 -1.668 13.015 0.027 1.00 0.00 C ATOM 0 H ALA A 60 0.398 14.294 -0.300 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.129 11.537 0.032 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.479 12.286 0.026 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.458 13.324 1.051 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.961 13.885 -0.561 1.00 0.00 H new ATOM 997 N GLU A 61 -0.251 12.642 -2.976 1.00 0.00 N ATOM 998 CA GLU A 61 -0.381 12.259 -4.375 1.00 0.00 C ATOM 999 C GLU A 61 0.186 10.862 -4.604 1.00 0.00 C ATOM 1000 O GLU A 61 -0.501 9.974 -5.113 1.00 0.00 O ATOM 1001 CB GLU A 61 0.361 13.255 -5.264 1.00 0.00 C ATOM 1002 CG GLU A 61 -0.033 14.704 -5.026 1.00 0.00 C ATOM 1003 CD GLU A 61 0.781 15.657 -5.870 1.00 0.00 C ATOM 1004 OE1 GLU A 61 1.997 15.773 -5.625 1.00 0.00 O ATOM 1005 OE2 GLU A 61 0.214 16.289 -6.786 1.00 0.00 O ATOM 0 H GLU A 61 0.220 13.535 -2.831 1.00 0.00 H new ATOM 0 HA GLU A 61 -1.441 12.260 -4.631 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.433 13.148 -5.097 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.174 13.005 -6.308 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -1.092 14.834 -5.251 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.101 14.948 -3.972 1.00 0.00 H new ATOM 1012 N HIS A 62 1.435 10.666 -4.197 1.00 0.00 N ATOM 1013 CA HIS A 62 2.113 9.397 -4.417 1.00 0.00 C ATOM 1014 C HIS A 62 1.686 8.377 -3.371 1.00 0.00 C ATOM 1015 O HIS A 62 1.863 7.175 -3.557 1.00 0.00 O ATOM 1016 CB HIS A 62 3.636 9.576 -4.402 1.00 0.00 C ATOM 1017 CG HIS A 62 4.146 10.469 -5.496 1.00 0.00 C ATOM 1018 ND1 HIS A 62 4.342 10.041 -6.793 1.00 0.00 N ATOM 1019 CD2 HIS A 62 4.488 11.781 -5.482 1.00 0.00 C ATOM 1020 CE1 HIS A 62 4.780 11.049 -7.526 1.00 0.00 C ATOM 1021 NE2 HIS A 62 4.875 12.116 -6.754 1.00 0.00 N ATOM 0 H HIS A 62 1.996 11.368 -3.715 1.00 0.00 H new ATOM 0 HA HIS A 62 1.827 9.027 -5.402 1.00 0.00 H new ATOM 0 HB2 HIS A 62 3.936 9.988 -3.438 1.00 0.00 H new ATOM 0 HB3 HIS A 62 4.109 8.598 -4.492 1.00 0.00 H new ATOM 0 HD2 HIS A 62 4.461 12.440 -4.627 1.00 0.00 H new ATOM 0 HE1 HIS A 62 5.020 11.007 -8.578 1.00 0.00 H new ATOM 0 HE2 HIS A 62 5.186 13.040 -7.055 1.00 0.00 H new ATOM 1030 N ARG A 63 1.108 8.868 -2.280 1.00 0.00 N ATOM 1031 CA ARG A 63 0.592 8.001 -1.230 1.00 0.00 C ATOM 1032 C ARG A 63 -0.573 7.168 -1.754 1.00 0.00 C ATOM 1033 O ARG A 63 -0.546 5.938 -1.675 1.00 0.00 O ATOM 1034 CB ARG A 63 0.154 8.832 -0.017 1.00 0.00 C ATOM 1035 CG ARG A 63 -0.588 8.037 1.050 1.00 0.00 C ATOM 1036 CD ARG A 63 0.256 6.905 1.620 1.00 0.00 C ATOM 1037 NE ARG A 63 -0.469 6.155 2.645 1.00 0.00 N ATOM 1038 CZ ARG A 63 -0.142 4.930 3.058 1.00 0.00 C ATOM 1039 NH1 ARG A 63 0.919 4.313 2.549 1.00 0.00 N ATOM 1040 NH2 ARG A 63 -0.869 4.335 3.996 1.00 0.00 N ATOM 0 H ARG A 63 0.985 9.865 -2.101 1.00 0.00 H new ATOM 0 HA ARG A 63 1.387 7.325 -0.916 1.00 0.00 H new ATOM 0 HB2 ARG A 63 1.035 9.289 0.433 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.487 9.645 -0.360 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.886 8.706 1.857 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -1.503 7.626 0.623 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.552 6.231 0.816 1.00 0.00 H new ATOM 0 HD3 ARG A 63 1.172 7.313 2.047 1.00 0.00 H new ATOM 0 HE ARG A 63 -1.281 6.600 3.074 1.00 0.00 H new ATOM 0 HH11 ARG A 63 1.487 4.776 1.840 1.00 0.00 H new ATOM 0 HH12 ARG A 63 1.166 3.376 2.868 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -1.674 4.815 4.398 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -0.622 3.398 4.315 1.00 0.00 H new ATOM 1054 N LYS A 64 -1.586 7.829 -2.305 1.00 0.00 N ATOM 1055 CA LYS A 64 -2.734 7.106 -2.831 1.00 0.00 C ATOM 1056 C LYS A 64 -2.371 6.418 -4.142 1.00 0.00 C ATOM 1057 O LYS A 64 -3.002 5.438 -4.529 1.00 0.00 O ATOM 1058 CB LYS A 64 -3.955 8.016 -3.024 1.00 0.00 C ATOM 1059 CG LYS A 64 -3.800 9.091 -4.092 1.00 0.00 C ATOM 1060 CD LYS A 64 -5.140 9.751 -4.390 1.00 0.00 C ATOM 1061 CE LYS A 64 -5.032 10.817 -5.467 1.00 0.00 C ATOM 1062 NZ LYS A 64 -4.201 11.972 -5.033 1.00 0.00 N ATOM 0 H LYS A 64 -1.635 8.844 -2.397 1.00 0.00 H new ATOM 0 HA LYS A 64 -3.008 6.352 -2.093 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -4.814 7.395 -3.278 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.181 8.500 -2.074 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -3.085 9.843 -3.757 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -3.396 8.650 -5.003 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.855 8.991 -4.705 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -5.533 10.199 -3.477 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -4.601 10.379 -6.367 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.030 11.168 -5.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -4.747 12.851 -5.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -3.929 11.849 -4.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -3.345 12.024 -5.621 1.00 0.00 H new ATOM 1076 N LEU A 65 -1.338 6.927 -4.810 1.00 0.00 N ATOM 1077 CA LEU A 65 -0.847 6.310 -6.036 1.00 0.00 C ATOM 1078 C LEU A 65 -0.358 4.893 -5.737 1.00 0.00 C ATOM 1079 O LEU A 65 -0.732 3.939 -6.418 1.00 0.00 O ATOM 1080 CB LEU A 65 0.282 7.163 -6.642 1.00 0.00 C ATOM 1081 CG LEU A 65 0.577 6.959 -8.140 1.00 0.00 C ATOM 1082 CD1 LEU A 65 1.196 5.595 -8.414 1.00 0.00 C ATOM 1083 CD2 LEU A 65 -0.686 7.148 -8.969 1.00 0.00 C ATOM 0 H LEU A 65 -0.828 7.762 -4.523 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.657 6.253 -6.763 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.037 8.213 -6.484 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.197 6.962 -6.085 1.00 0.00 H new ATOM 0 HG LEU A 65 1.305 7.716 -8.434 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.389 5.491 -9.482 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.134 5.504 -7.865 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.509 4.812 -8.091 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.455 6.999 -10.024 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.438 6.423 -8.657 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.071 8.157 -8.821 1.00 0.00 H new ATOM 1095 N LEU A 66 0.460 4.754 -4.697 1.00 0.00 N ATOM 1096 CA LEU A 66 0.994 3.450 -4.335 1.00 0.00 C ATOM 1097 C LEU A 66 -0.089 2.591 -3.685 1.00 0.00 C ATOM 1098 O LEU A 66 0.024 1.368 -3.654 1.00 0.00 O ATOM 1099 CB LEU A 66 2.215 3.592 -3.413 1.00 0.00 C ATOM 1100 CG LEU A 66 1.922 3.937 -1.950 1.00 0.00 C ATOM 1101 CD1 LEU A 66 1.847 2.674 -1.100 1.00 0.00 C ATOM 1102 CD2 LEU A 66 2.978 4.886 -1.405 1.00 0.00 C ATOM 0 H LEU A 66 0.763 5.521 -4.097 1.00 0.00 H new ATOM 0 HA LEU A 66 1.324 2.950 -5.246 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.774 2.657 -3.439 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.866 4.364 -3.823 1.00 0.00 H new ATOM 0 HG LEU A 66 0.953 4.435 -1.904 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.638 2.944 -0.065 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.051 2.030 -1.475 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.798 2.144 -1.152 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.754 5.121 -0.364 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.959 4.414 -1.468 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.979 5.805 -1.992 1.00 0.00 H new ATOM 1114 N GLU A 67 -1.128 3.238 -3.161 1.00 0.00 N ATOM 1115 CA GLU A 67 -2.279 2.520 -2.629 1.00 0.00 C ATOM 1116 C GLU A 67 -2.988 1.800 -3.769 1.00 0.00 C ATOM 1117 O GLU A 67 -3.327 0.618 -3.665 1.00 0.00 O ATOM 1118 CB GLU A 67 -3.243 3.481 -1.925 1.00 0.00 C ATOM 1119 CG GLU A 67 -4.420 2.782 -1.257 1.00 0.00 C ATOM 1120 CD GLU A 67 -5.390 3.746 -0.600 1.00 0.00 C ATOM 1121 OE1 GLU A 67 -5.102 4.215 0.522 1.00 0.00 O ATOM 1122 OE2 GLU A 67 -6.457 4.026 -1.187 1.00 0.00 O ATOM 0 H GLU A 67 -1.195 4.254 -3.095 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.936 1.792 -1.893 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -2.694 4.048 -1.173 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.622 4.199 -2.652 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.953 2.190 -2.001 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.044 2.087 -0.507 1.00 0.00 H new ATOM 1129 N GLN A 68 -3.181 2.524 -4.868 1.00 0.00 N ATOM 1130 CA GLN A 68 -3.741 1.956 -6.088 1.00 0.00 C ATOM 1131 C GLN A 68 -2.902 0.765 -6.549 1.00 0.00 C ATOM 1132 O GLN A 68 -3.434 -0.309 -6.840 1.00 0.00 O ATOM 1133 CB GLN A 68 -3.785 3.014 -7.191 1.00 0.00 C ATOM 1134 CG GLN A 68 -4.665 4.212 -6.873 1.00 0.00 C ATOM 1135 CD GLN A 68 -4.509 5.334 -7.888 1.00 0.00 C ATOM 1136 OE1 GLN A 68 -3.670 6.219 -7.729 1.00 0.00 O ATOM 1137 NE2 GLN A 68 -5.313 5.304 -8.939 1.00 0.00 N ATOM 0 H GLN A 68 -2.954 3.516 -4.937 1.00 0.00 H new ATOM 0 HA GLN A 68 -4.756 1.617 -5.879 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -2.771 3.364 -7.384 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -4.142 2.549 -8.110 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -5.708 3.895 -6.843 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -4.417 4.587 -5.880 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -5.997 4.554 -9.037 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -5.249 6.031 -9.651 1.00 0.00 H new ATOM 1146 N GLU A 69 -1.589 0.967 -6.603 1.00 0.00 N ATOM 1147 CA GLU A 69 -0.651 -0.080 -7.002 1.00 0.00 C ATOM 1148 C GLU A 69 -0.742 -1.284 -6.074 1.00 0.00 C ATOM 1149 O GLU A 69 -0.722 -2.430 -6.522 1.00 0.00 O ATOM 1150 CB GLU A 69 0.775 0.461 -6.978 1.00 0.00 C ATOM 1151 CG GLU A 69 1.017 1.623 -7.929 1.00 0.00 C ATOM 1152 CD GLU A 69 1.055 1.196 -9.385 1.00 0.00 C ATOM 1153 OE1 GLU A 69 0.009 0.795 -9.928 1.00 0.00 O ATOM 1154 OE2 GLU A 69 2.142 1.266 -9.998 1.00 0.00 O ATOM 0 H GLU A 69 -1.146 1.856 -6.373 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.913 -0.395 -8.012 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.013 0.781 -5.964 1.00 0.00 H new ATOM 0 HB3 GLU A 69 1.463 -0.347 -7.227 1.00 0.00 H new ATOM 0 HG2 GLU A 69 0.231 2.366 -7.794 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.960 2.106 -7.672 1.00 0.00 H new ATOM 1161 N MET A 70 -0.845 -1.010 -4.777 1.00 0.00 N ATOM 1162 CA MET A 70 -0.907 -2.058 -3.761 1.00 0.00 C ATOM 1163 C MET A 70 -2.095 -2.975 -4.008 1.00 0.00 C ATOM 1164 O MET A 70 -1.953 -4.196 -4.044 1.00 0.00 O ATOM 1165 CB MET A 70 -1.003 -1.439 -2.362 1.00 0.00 C ATOM 1166 CG MET A 70 -1.035 -2.463 -1.235 1.00 0.00 C ATOM 1167 SD MET A 70 -1.161 -1.701 0.396 1.00 0.00 S ATOM 1168 CE MET A 70 0.354 -0.746 0.456 1.00 0.00 C ATOM 0 H MET A 70 -0.888 -0.063 -4.402 1.00 0.00 H new ATOM 0 HA MET A 70 0.007 -2.649 -3.824 1.00 0.00 H new ATOM 0 HB2 MET A 70 -0.153 -0.773 -2.211 1.00 0.00 H new ATOM 0 HB3 MET A 70 -1.902 -0.825 -2.308 1.00 0.00 H new ATOM 0 HG2 MET A 70 -1.881 -3.135 -1.384 1.00 0.00 H new ATOM 0 HG3 MET A 70 -0.132 -3.073 -1.278 1.00 0.00 H new ATOM 0 HE1 MET A 70 0.588 -0.499 1.492 1.00 0.00 H new ATOM 0 HE2 MET A 70 1.169 -1.330 0.029 1.00 0.00 H new ATOM 0 HE3 MET A 70 0.228 0.173 -0.117 1.00 0.00 H new ATOM 1178 N VAL A 71 -3.264 -2.374 -4.194 1.00 0.00 N ATOM 1179 CA VAL A 71 -4.476 -3.129 -4.476 1.00 0.00 C ATOM 1180 C VAL A 71 -4.322 -3.915 -5.774 1.00 0.00 C ATOM 1181 O VAL A 71 -4.766 -5.056 -5.876 1.00 0.00 O ATOM 1182 CB VAL A 71 -5.710 -2.204 -4.583 1.00 0.00 C ATOM 1183 CG1 VAL A 71 -6.974 -3.008 -4.858 1.00 0.00 C ATOM 1184 CG2 VAL A 71 -5.869 -1.380 -3.316 1.00 0.00 C ATOM 0 H VAL A 71 -3.397 -1.364 -4.154 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.631 -3.817 -3.645 1.00 0.00 H new ATOM 0 HB VAL A 71 -5.552 -1.526 -5.422 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -7.827 -2.333 -4.928 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -6.863 -3.551 -5.796 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -7.138 -3.716 -4.046 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -6.742 -0.735 -3.409 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -5.999 -2.046 -2.463 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -4.980 -0.768 -3.166 1.00 0.00 H new ATOM 1194 N SER A 72 -3.661 -3.306 -6.748 1.00 0.00 N ATOM 1195 CA SER A 72 -3.510 -3.902 -8.069 1.00 0.00 C ATOM 1196 C SER A 72 -2.573 -5.110 -8.047 1.00 0.00 C ATOM 1197 O SER A 72 -2.869 -6.139 -8.645 1.00 0.00 O ATOM 1198 CB SER A 72 -2.988 -2.856 -9.056 1.00 0.00 C ATOM 1199 OG SER A 72 -3.818 -1.711 -9.062 1.00 0.00 O ATOM 0 H SER A 72 -3.218 -2.393 -6.647 1.00 0.00 H new ATOM 0 HA SER A 72 -4.492 -4.251 -8.388 1.00 0.00 H new ATOM 0 HB2 SER A 72 -1.971 -2.572 -8.787 1.00 0.00 H new ATOM 0 HB3 SER A 72 -2.945 -3.284 -10.057 1.00 0.00 H new ATOM 0 HG SER A 72 -3.512 -1.082 -8.376 1.00 0.00 H new ATOM 1205 N PHE A 73 -1.448 -4.990 -7.364 1.00 0.00 N ATOM 1206 CA PHE A 73 -0.453 -6.054 -7.368 1.00 0.00 C ATOM 1207 C PHE A 73 -0.886 -7.220 -6.481 1.00 0.00 C ATOM 1208 O PHE A 73 -0.651 -8.381 -6.808 1.00 0.00 O ATOM 1209 CB PHE A 73 0.901 -5.512 -6.900 1.00 0.00 C ATOM 1210 CG PHE A 73 2.051 -6.449 -7.161 1.00 0.00 C ATOM 1211 CD1 PHE A 73 2.408 -7.417 -6.236 1.00 0.00 C ATOM 1212 CD2 PHE A 73 2.776 -6.361 -8.341 1.00 0.00 C ATOM 1213 CE1 PHE A 73 3.461 -8.278 -6.481 1.00 0.00 C ATOM 1214 CE2 PHE A 73 3.830 -7.218 -8.591 1.00 0.00 C ATOM 1215 CZ PHE A 73 4.172 -8.178 -7.661 1.00 0.00 C ATOM 0 H PHE A 73 -1.200 -4.175 -6.803 1.00 0.00 H new ATOM 0 HA PHE A 73 -0.358 -6.423 -8.389 1.00 0.00 H new ATOM 0 HB2 PHE A 73 1.096 -4.564 -7.401 1.00 0.00 H new ATOM 0 HB3 PHE A 73 0.849 -5.303 -5.831 1.00 0.00 H new ATOM 0 HD1 PHE A 73 1.856 -7.500 -5.311 1.00 0.00 H new ATOM 0 HD2 PHE A 73 2.513 -5.612 -9.074 1.00 0.00 H new ATOM 0 HE1 PHE A 73 3.728 -9.028 -5.751 1.00 0.00 H new ATOM 0 HE2 PHE A 73 4.386 -7.137 -9.513 1.00 0.00 H new ATOM 0 HZ PHE A 73 4.995 -8.850 -7.855 1.00 0.00 H new ATOM 1225 N LEU A 74 -1.531 -6.908 -5.366 1.00 0.00 N ATOM 1226 CA LEU A 74 -1.869 -7.929 -4.382 1.00 0.00 C ATOM 1227 C LEU A 74 -3.213 -8.594 -4.674 1.00 0.00 C ATOM 1228 O LEU A 74 -3.343 -9.815 -4.580 1.00 0.00 O ATOM 1229 CB LEU A 74 -1.871 -7.322 -2.976 1.00 0.00 C ATOM 1230 CG LEU A 74 -0.535 -6.714 -2.538 1.00 0.00 C ATOM 1231 CD1 LEU A 74 -0.612 -6.229 -1.100 1.00 0.00 C ATOM 1232 CD2 LEU A 74 0.597 -7.718 -2.712 1.00 0.00 C ATOM 0 H LEU A 74 -1.829 -5.964 -5.120 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.107 -8.706 -4.443 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.638 -6.549 -2.930 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.154 -8.095 -2.262 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.326 -5.855 -3.175 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.347 -5.801 -0.809 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.390 -5.470 -1.013 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.849 -7.068 -0.445 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.537 -7.265 -2.395 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.397 -8.601 -2.105 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.669 -8.007 -3.761 1.00 0.00 H new ATOM 1244 N PHE A 75 -4.210 -7.798 -5.032 1.00 0.00 N ATOM 1245 CA PHE A 75 -5.554 -8.318 -5.247 1.00 0.00 C ATOM 1246 C PHE A 75 -5.936 -8.261 -6.722 1.00 0.00 C ATOM 1247 O PHE A 75 -6.472 -9.222 -7.271 1.00 0.00 O ATOM 1248 CB PHE A 75 -6.557 -7.506 -4.420 1.00 0.00 C ATOM 1249 CG PHE A 75 -7.981 -7.974 -4.548 1.00 0.00 C ATOM 1250 CD1 PHE A 75 -8.401 -9.132 -3.916 1.00 0.00 C ATOM 1251 CD2 PHE A 75 -8.900 -7.253 -5.296 1.00 0.00 C ATOM 1252 CE1 PHE A 75 -9.707 -9.564 -4.029 1.00 0.00 C ATOM 1253 CE2 PHE A 75 -10.210 -7.681 -5.411 1.00 0.00 C ATOM 1254 CZ PHE A 75 -10.613 -8.838 -4.776 1.00 0.00 C ATOM 0 H PHE A 75 -4.115 -6.793 -5.179 1.00 0.00 H new ATOM 0 HA PHE A 75 -5.574 -9.361 -4.931 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -6.265 -7.549 -3.371 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -6.501 -6.461 -4.724 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -7.699 -9.704 -3.328 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -8.589 -6.347 -5.794 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -10.020 -10.471 -3.533 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -10.916 -7.111 -5.997 1.00 0.00 H new ATOM 0 HZ PHE A 75 -11.635 -9.175 -4.863 1.00 0.00 H new ATOM 1264 N GLU A 76 -5.622 -7.134 -7.343 1.00 0.00 N ATOM 1265 CA GLU A 76 -6.012 -6.837 -8.716 1.00 0.00 C ATOM 1266 C GLU A 76 -7.514 -7.007 -8.910 1.00 0.00 C ATOM 1267 O GLU A 76 -7.995 -8.016 -9.429 1.00 0.00 O ATOM 1268 CB GLU A 76 -5.232 -7.668 -9.735 1.00 0.00 C ATOM 1269 CG GLU A 76 -5.426 -7.179 -11.166 1.00 0.00 C ATOM 1270 CD GLU A 76 -5.233 -5.675 -11.308 1.00 0.00 C ATOM 1271 OE1 GLU A 76 -6.189 -4.910 -11.026 1.00 0.00 O ATOM 1272 OE2 GLU A 76 -4.132 -5.245 -11.708 1.00 0.00 O ATOM 0 H GLU A 76 -5.082 -6.389 -6.903 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.759 -5.792 -8.896 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -4.171 -7.638 -9.486 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.547 -8.709 -9.666 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.722 -7.694 -11.820 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -6.428 -7.445 -11.503 1.00 0.00 H new ATOM 1279 N GLY A 77 -8.243 -6.015 -8.444 1.00 0.00 N ATOM 1280 CA GLY A 77 -9.672 -5.969 -8.637 1.00 0.00 C ATOM 1281 C GLY A 77 -10.138 -4.538 -8.674 1.00 0.00 C ATOM 1282 O GLY A 77 -11.248 -4.212 -8.250 1.00 0.00 O ATOM 0 H GLY A 77 -7.862 -5.224 -7.924 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -9.939 -6.472 -9.567 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -10.174 -6.503 -7.831 1.00 0.00 H new ATOM 1286 N LYS A 78 -9.265 -3.678 -9.178 1.00 0.00 N ATOM 1287 CA LYS A 78 -9.509 -2.248 -9.192 1.00 0.00 C ATOM 1288 C LYS A 78 -9.900 -1.771 -10.583 1.00 0.00 C ATOM 1289 O LYS A 78 -9.595 -2.422 -11.583 1.00 0.00 O ATOM 1290 CB LYS A 78 -8.255 -1.502 -8.694 1.00 0.00 C ATOM 1291 CG LYS A 78 -6.978 -1.791 -9.489 1.00 0.00 C ATOM 1292 CD LYS A 78 -6.886 -0.952 -10.760 1.00 0.00 C ATOM 1293 CE LYS A 78 -5.546 -1.117 -11.466 1.00 0.00 C ATOM 1294 NZ LYS A 78 -5.356 -2.481 -12.028 1.00 0.00 N ATOM 0 H LYS A 78 -8.372 -3.953 -9.587 1.00 0.00 H new ATOM 0 HA LYS A 78 -10.342 -2.031 -8.523 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -8.451 -0.430 -8.725 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.084 -1.765 -7.650 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.109 -1.593 -8.861 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -6.947 -2.849 -9.751 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -7.690 -1.236 -11.439 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -7.036 0.099 -10.511 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -5.471 -0.384 -12.269 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -4.741 -0.903 -10.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -4.339 -2.685 -12.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -5.801 -3.180 -11.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -5.795 -2.533 -12.969 1.00 0.00 H new ATOM 1308 N ASP A 79 -10.589 -0.643 -10.634 1.00 0.00 N ATOM 1309 CA ASP A 79 -10.884 0.028 -11.894 1.00 0.00 C ATOM 1310 C ASP A 79 -10.498 1.499 -11.792 1.00 0.00 C ATOM 1311 O ASP A 79 -10.866 2.316 -12.634 1.00 0.00 O ATOM 1312 CB ASP A 79 -12.366 -0.117 -12.265 1.00 0.00 C ATOM 1313 CG ASP A 79 -13.296 0.569 -11.284 1.00 0.00 C ATOM 1314 OD1 ASP A 79 -13.626 -0.042 -10.248 1.00 0.00 O ATOM 1315 OD2 ASP A 79 -13.710 1.716 -11.552 1.00 0.00 O ATOM 0 H ASP A 79 -10.958 -0.167 -9.811 1.00 0.00 H new ATOM 0 HA ASP A 79 -10.299 -0.442 -12.684 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -12.527 0.298 -13.260 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -12.619 -1.176 -12.316 1.00 0.00 H new ATOM 1320 N VAL A 80 -9.732 1.821 -10.751 1.00 0.00 N ATOM 1321 CA VAL A 80 -9.263 3.182 -10.528 1.00 0.00 C ATOM 1322 C VAL A 80 -8.130 3.496 -11.503 1.00 0.00 C ATOM 1323 O VAL A 80 -7.335 2.615 -11.837 1.00 0.00 O ATOM 1324 CB VAL A 80 -8.771 3.377 -9.074 1.00 0.00 C ATOM 1325 CG1 VAL A 80 -8.536 4.849 -8.773 1.00 0.00 C ATOM 1326 CG2 VAL A 80 -9.761 2.779 -8.084 1.00 0.00 C ATOM 0 H VAL A 80 -9.423 1.151 -10.046 1.00 0.00 H new ATOM 0 HA VAL A 80 -10.097 3.863 -10.696 1.00 0.00 H new ATOM 0 HB VAL A 80 -7.821 2.853 -8.967 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -8.191 4.960 -7.745 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -7.782 5.244 -9.454 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -9.467 5.400 -8.904 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -9.395 2.928 -7.068 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -10.728 3.269 -8.196 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -9.870 1.712 -8.278 1.00 0.00 H new ATOM 1336 N HIS A 81 -8.052 4.740 -11.953 1.00 0.00 N ATOM 1337 CA HIS A 81 -7.102 5.109 -12.994 1.00 0.00 C ATOM 1338 C HIS A 81 -5.735 5.419 -12.407 1.00 0.00 C ATOM 1339 O HIS A 81 -5.521 6.481 -11.815 1.00 0.00 O ATOM 1340 CB HIS A 81 -7.608 6.313 -13.793 1.00 0.00 C ATOM 1341 CG HIS A 81 -8.881 6.056 -14.534 1.00 0.00 C ATOM 1342 ND1 HIS A 81 -8.937 5.898 -15.900 1.00 0.00 N ATOM 1343 CD2 HIS A 81 -10.150 5.935 -14.092 1.00 0.00 C ATOM 1344 CE1 HIS A 81 -10.187 5.692 -16.263 1.00 0.00 C ATOM 1345 NE2 HIS A 81 -10.945 5.710 -15.186 1.00 0.00 N ATOM 0 H HIS A 81 -8.632 5.508 -11.616 1.00 0.00 H new ATOM 0 HA HIS A 81 -7.006 4.255 -13.665 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -7.758 7.151 -13.113 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -6.839 6.614 -14.505 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -10.479 6.003 -13.066 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -10.532 5.535 -17.274 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -11.956 5.578 -15.169 1.00 0.00 H new ATOM 1354 N ILE A 82 -4.812 4.485 -12.555 1.00 0.00 N ATOM 1355 CA ILE A 82 -3.447 4.708 -12.116 1.00 0.00 C ATOM 1356 C ILE A 82 -2.658 5.342 -13.249 1.00 0.00 C ATOM 1357 O ILE A 82 -2.022 4.655 -14.047 1.00 0.00 O ATOM 1358 CB ILE A 82 -2.763 3.397 -11.673 1.00 0.00 C ATOM 1359 CG1 ILE A 82 -3.668 2.644 -10.695 1.00 0.00 C ATOM 1360 CG2 ILE A 82 -1.408 3.691 -11.035 1.00 0.00 C ATOM 1361 CD1 ILE A 82 -3.100 1.324 -10.227 1.00 0.00 C ATOM 0 H ILE A 82 -4.982 3.570 -12.973 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.472 5.372 -11.252 1.00 0.00 H new ATOM 0 HB ILE A 82 -2.596 2.771 -12.550 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -3.854 3.276 -9.827 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -4.632 2.465 -11.171 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -0.940 2.756 -10.728 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -0.768 4.198 -11.757 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -1.547 4.330 -10.163 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -3.799 0.851 -9.537 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.940 0.672 -11.086 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.150 1.496 -9.720 1.00 0.00 H new ATOM 1373 N GLU A 83 -2.728 6.659 -13.330 1.00 0.00 N ATOM 1374 CA GLU A 83 -2.119 7.381 -14.437 1.00 0.00 C ATOM 1375 C GLU A 83 -1.047 8.335 -13.939 1.00 0.00 C ATOM 1376 O GLU A 83 -0.425 9.048 -14.724 1.00 0.00 O ATOM 1377 CB GLU A 83 -3.183 8.174 -15.199 1.00 0.00 C ATOM 1378 CG GLU A 83 -4.428 7.373 -15.551 1.00 0.00 C ATOM 1379 CD GLU A 83 -4.122 6.125 -16.349 1.00 0.00 C ATOM 1380 OE1 GLU A 83 -3.272 6.190 -17.256 1.00 0.00 O ATOM 1381 OE2 GLU A 83 -4.728 5.071 -16.065 1.00 0.00 O ATOM 0 H GLU A 83 -3.199 7.250 -12.645 1.00 0.00 H new ATOM 0 HA GLU A 83 -1.660 6.649 -15.102 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -3.477 9.035 -14.599 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -2.742 8.561 -16.118 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -4.945 7.093 -14.633 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -5.110 8.004 -16.121 1.00 0.00 H new ATOM 1388 N GLY A 84 -0.840 8.355 -12.630 1.00 0.00 N ATOM 1389 CA GLY A 84 0.058 9.330 -12.040 1.00 0.00 C ATOM 1390 C GLY A 84 -0.612 10.682 -11.894 1.00 0.00 C ATOM 1391 O GLY A 84 -0.588 11.288 -10.823 1.00 0.00 O ATOM 0 H GLY A 84 -1.276 7.715 -11.966 1.00 0.00 H new ATOM 0 HA2 GLY A 84 0.388 8.978 -11.062 1.00 0.00 H new ATOM 0 HA3 GLY A 84 0.949 9.429 -12.660 1.00 0.00 H new ATOM 1395 N TYR A 85 -1.206 11.150 -12.983 1.00 0.00 N ATOM 1396 CA TYR A 85 -1.993 12.370 -12.972 1.00 0.00 C ATOM 1397 C TYR A 85 -3.465 12.038 -13.187 1.00 0.00 C ATOM 1398 O TYR A 85 -3.921 11.886 -14.323 1.00 0.00 O ATOM 1399 CB TYR A 85 -1.510 13.334 -14.058 1.00 0.00 C ATOM 1400 CG TYR A 85 -0.110 13.862 -13.834 1.00 0.00 C ATOM 1401 CD1 TYR A 85 0.108 14.984 -13.044 1.00 0.00 C ATOM 1402 CD2 TYR A 85 0.991 13.245 -14.413 1.00 0.00 C ATOM 1403 CE1 TYR A 85 1.382 15.474 -12.838 1.00 0.00 C ATOM 1404 CE2 TYR A 85 2.268 13.732 -14.213 1.00 0.00 C ATOM 1405 CZ TYR A 85 2.458 14.846 -13.423 1.00 0.00 C ATOM 1406 OH TYR A 85 3.728 15.337 -13.221 1.00 0.00 O ATOM 0 H TYR A 85 -1.155 10.695 -13.894 1.00 0.00 H new ATOM 0 HA TYR A 85 -1.871 12.854 -12.003 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -1.546 12.827 -15.022 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -2.200 14.176 -14.115 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -0.733 15.481 -12.584 1.00 0.00 H new ATOM 0 HD2 TYR A 85 0.847 12.370 -15.030 1.00 0.00 H new ATOM 0 HE1 TYR A 85 1.534 16.347 -12.220 1.00 0.00 H new ATOM 0 HE2 TYR A 85 3.114 13.243 -14.673 1.00 0.00 H new ATOM 0 HH TYR A 85 4.375 14.779 -13.702 1.00 0.00 H new ATOM 1416 N THR A 86 -4.198 11.891 -12.098 1.00 0.00 N ATOM 1417 CA THR A 86 -5.613 11.577 -12.174 1.00 0.00 C ATOM 1418 C THR A 86 -6.409 12.524 -11.275 1.00 0.00 C ATOM 1419 O THR A 86 -5.998 12.821 -10.152 1.00 0.00 O ATOM 1420 CB THR A 86 -5.890 10.102 -11.788 1.00 0.00 C ATOM 1421 OG1 THR A 86 -7.286 9.809 -11.909 1.00 0.00 O ATOM 1422 CG2 THR A 86 -5.427 9.797 -10.370 1.00 0.00 C ATOM 0 H THR A 86 -3.836 11.984 -11.149 1.00 0.00 H new ATOM 0 HA THR A 86 -5.933 11.712 -13.207 1.00 0.00 H new ATOM 0 HB THR A 86 -5.324 9.473 -12.475 1.00 0.00 H new ATOM 0 HG1 THR A 86 -7.465 8.916 -11.548 1.00 0.00 H new ATOM 0 HG21 THR A 86 -5.638 8.754 -10.135 1.00 0.00 H new ATOM 0 HG22 THR A 86 -4.355 9.978 -10.291 1.00 0.00 H new ATOM 0 HG23 THR A 86 -5.956 10.441 -9.668 1.00 0.00 H new ATOM 1430 N PRO A 87 -7.539 13.045 -11.772 1.00 0.00 N ATOM 1431 CA PRO A 87 -8.383 13.965 -11.020 1.00 0.00 C ATOM 1432 C PRO A 87 -9.407 13.238 -10.150 1.00 0.00 C ATOM 1433 O PRO A 87 -10.469 13.781 -9.833 1.00 0.00 O ATOM 1434 CB PRO A 87 -9.078 14.746 -12.130 1.00 0.00 C ATOM 1435 CG PRO A 87 -9.233 13.760 -13.240 1.00 0.00 C ATOM 1436 CD PRO A 87 -8.081 12.792 -13.121 1.00 0.00 C ATOM 0 HA PRO A 87 -7.817 14.581 -10.322 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -10.044 15.129 -11.801 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -8.485 15.605 -12.442 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -10.187 13.238 -13.164 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -9.220 14.261 -14.208 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -8.414 11.760 -13.230 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -7.331 12.968 -13.892 1.00 0.00 H new ATOM 1444 N GLU A 88 -9.087 12.015 -9.760 1.00 0.00 N ATOM 1445 CA GLU A 88 -9.973 11.232 -8.914 1.00 0.00 C ATOM 1446 C GLU A 88 -9.785 11.607 -7.446 1.00 0.00 C ATOM 1447 O GLU A 88 -9.342 10.799 -6.628 1.00 0.00 O ATOM 1448 CB GLU A 88 -9.737 9.738 -9.135 1.00 0.00 C ATOM 1449 CG GLU A 88 -10.062 9.297 -10.553 1.00 0.00 C ATOM 1450 CD GLU A 88 -9.759 7.837 -10.815 1.00 0.00 C ATOM 1451 OE1 GLU A 88 -8.595 7.515 -11.130 1.00 0.00 O ATOM 1452 OE2 GLU A 88 -10.692 7.011 -10.737 1.00 0.00 O ATOM 0 H GLU A 88 -8.220 11.543 -10.016 1.00 0.00 H new ATOM 0 HA GLU A 88 -11.004 11.457 -9.187 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -8.696 9.502 -8.915 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -10.348 9.170 -8.433 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -11.118 9.482 -10.750 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -9.495 9.909 -11.254 1.00 0.00 H new ATOM 1459 N ASP A 89 -10.101 12.857 -7.133 1.00 0.00 N ATOM 1460 CA ASP A 89 -10.036 13.357 -5.765 1.00 0.00 C ATOM 1461 C ASP A 89 -11.183 12.783 -4.955 1.00 0.00 C ATOM 1462 O ASP A 89 -11.002 12.308 -3.832 1.00 0.00 O ATOM 1463 CB ASP A 89 -10.118 14.884 -5.751 1.00 0.00 C ATOM 1464 CG ASP A 89 -9.044 15.542 -6.590 1.00 0.00 C ATOM 1465 OD1 ASP A 89 -9.268 15.736 -7.807 1.00 0.00 O ATOM 1466 OD2 ASP A 89 -7.980 15.889 -6.036 1.00 0.00 O ATOM 0 H ASP A 89 -10.408 13.550 -7.816 1.00 0.00 H new ATOM 0 HA ASP A 89 -9.087 13.049 -5.326 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -11.097 15.193 -6.117 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -10.036 15.237 -4.723 1.00 0.00 H new ATOM 1471 N LYS A 90 -12.365 12.825 -5.546 1.00 0.00 N ATOM 1472 CA LYS A 90 -13.562 12.285 -4.929 1.00 0.00 C ATOM 1473 C LYS A 90 -13.634 10.781 -5.164 1.00 0.00 C ATOM 1474 O LYS A 90 -13.175 10.287 -6.196 1.00 0.00 O ATOM 1475 CB LYS A 90 -14.800 12.970 -5.518 1.00 0.00 C ATOM 1476 CG LYS A 90 -16.117 12.392 -5.029 1.00 0.00 C ATOM 1477 CD LYS A 90 -17.281 12.891 -5.865 1.00 0.00 C ATOM 1478 CE LYS A 90 -18.585 12.238 -5.442 1.00 0.00 C ATOM 1479 NZ LYS A 90 -18.571 10.763 -5.651 1.00 0.00 N ATOM 0 H LYS A 90 -12.521 13.235 -6.467 1.00 0.00 H new ATOM 0 HA LYS A 90 -13.529 12.472 -3.856 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -14.767 14.031 -5.272 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -14.763 12.894 -6.605 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -16.077 11.304 -5.070 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -16.272 12.666 -3.985 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -17.365 13.973 -5.766 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -17.092 12.681 -6.918 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -18.772 12.452 -4.390 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -19.408 12.675 -6.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -19.526 10.381 -5.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -18.269 10.553 -6.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -17.908 10.324 -4.981 1.00 0.00 H new ATOM 1493 N LYS A 91 -14.197 10.060 -4.212 1.00 0.00 N ATOM 1494 CA LYS A 91 -14.400 8.633 -4.367 1.00 0.00 C ATOM 1495 C LYS A 91 -15.862 8.281 -4.104 1.00 0.00 C ATOM 1496 O LYS A 91 -16.724 8.714 -4.900 1.00 0.00 O ATOM 1497 CB LYS A 91 -13.460 7.840 -3.441 1.00 0.00 C ATOM 1498 CG LYS A 91 -13.444 8.317 -1.995 1.00 0.00 C ATOM 1499 CD LYS A 91 -12.586 7.420 -1.109 1.00 0.00 C ATOM 1500 CE LYS A 91 -11.118 7.466 -1.507 1.00 0.00 C ATOM 1501 NZ LYS A 91 -10.273 6.621 -0.618 1.00 0.00 N ATOM 1502 OXT LYS A 91 -16.151 7.573 -3.122 1.00 0.00 O ATOM 0 H LYS A 91 -14.522 10.440 -3.323 1.00 0.00 H new ATOM 0 HA LYS A 91 -14.159 8.355 -5.393 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -13.753 6.790 -3.460 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -12.447 7.896 -3.839 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -13.064 9.338 -1.954 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -14.463 8.340 -1.609 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -12.690 7.730 -0.069 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -12.948 6.394 -1.173 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -11.011 7.128 -2.538 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -10.765 8.496 -1.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -9.281 6.680 -0.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -10.355 6.959 0.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -10.593 5.633 -0.671 1.00 0.00 H new TER 1516 LYS A 91