USER MOD reduce.3.24.130724 H: found=0, std=0, add=972, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 969 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 94 ASN :FLIP amide:sc= 0.334 F(o=-0.73,f=0.43) USER MOD Set 1.2: A 98 HIS : no HD1:sc= 0.0936 K(o=0.43,f=-3.2) USER MOD Set 2.1: A 36 THR OG1 : rot -160:sc= 0.0336 USER MOD Set 2.2: A 39 GLN : amide:sc= 0.183 X(o=0.22,f=-0.14) USER MOD Single : A 1 LYS N :NH3+ -170:sc= 0 (180deg=-0.129) USER MOD Single : A 1 LYS NZ :NH3+ 164:sc= -0.0973 (180deg=-0.379) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 72:sc= 0.26 USER MOD Single : A 12 ASN :FLIP amide:sc= -0.766 F(o=-2.1,f=-0.77) USER MOD Single : A 25 GLN : amide:sc= 0.00643 K(o=0.0064,f=-0.66) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 CYS SG : rot 180:sc=-0.00194 USER MOD Single : A 38 SER OG : rot -49:sc= 0.375 USER MOD Single : A 41 LYS NZ :NH3+ 165:sc=-0.00609 (180deg=-0.589!) USER MOD Single : A 43 LYS NZ :NH3+ -156:sc= 1.27 (180deg=0.389) USER MOD Single : A 44 MET CE :methyl -173:sc= -7.2! (180deg=-8.09!) USER MOD Single : A 47 GLN :FLIP amide:sc= -0.855 F(o=-1.4,f=-0.86) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 176:sc= 0.744 (180deg=0.518) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.0476 X(o=-0.048,f=0.025) USER MOD Single : A 62 THR OG1 : rot -38:sc= 0.0875 USER MOD Single : A 69 SER OG : rot -120:sc= 0.00163 USER MOD Single : A 74 HIS : no HE2:sc= 1.18 K(o=1.2,f=-4.3!) USER MOD Single : A 78 SER OG : rot 180:sc= -0.0261 USER MOD Single : A 83 THR OG1 : rot -36:sc= 0.865 USER MOD Single : A 84 SER OG : rot 126:sc= -0.858! USER MOD Single : A 87 GLN :FLIP amide:sc= 0 F(o=-0.78,f=0) USER MOD Single : A 95 THR OG1 : rot -150:sc= -1.64! USER MOD Single : A 97 GLN : amide:sc= -1.97! C(o=-2!,f=-1.8!) USER MOD Single : A 99 TYR OH : rot 180:sc= -0.136 USER MOD Single : A 100 LYS NZ :NH3+ -169:sc= 0.869 (180deg=0.237) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 CYS SG : rot -5:sc= 0.55 USER MOD Single : A 114 THR OG1 : rot -31:sc= 1.06 USER MOD Single : A 115 LYS NZ :NH3+ 161:sc= 0.702 (180deg=-0.0739!) USER MOD Single : A 116 HIS : no HD1:sc= -0.0526 X(o=-0.053,f=-0.52) USER MOD Single : A 121 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 122 GLN :FLIP amide:sc= -0.0178 F(o=-0.58,f=-0.018) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 1.355 4.467 3.580 1.00 1.00 N ATOM 2 CA LYS A 1 1.879 3.100 3.476 1.00 1.00 C ATOM 3 C LYS A 1 1.515 2.506 2.129 1.00 1.00 C ATOM 4 O LYS A 1 2.377 2.105 1.353 1.00 1.00 O ATOM 5 CB LYS A 1 1.336 2.211 4.612 1.00 1.00 C ATOM 6 CG LYS A 1 1.725 2.659 6.013 1.00 1.00 C ATOM 7 CD LYS A 1 1.088 1.779 7.086 1.00 1.00 C ATOM 8 CE LYS A 1 1.671 0.367 7.090 1.00 1.00 C ATOM 9 NZ LYS A 1 3.136 0.363 7.313 1.00 1.00 N ATOM 0 H1 LYS A 1 1.748 4.926 4.426 1.00 1.00 H new ATOM 0 H2 LYS A 1 1.627 5.008 2.735 1.00 1.00 H new ATOM 0 H3 LYS A 1 0.318 4.437 3.653 1.00 1.00 H new ATOM 0 HA LYS A 1 2.964 3.142 3.568 1.00 1.00 H new ATOM 0 HB2 LYS A 1 0.249 2.182 4.544 1.00 1.00 H new ATOM 0 HB3 LYS A 1 1.692 1.192 4.459 1.00 1.00 H new ATOM 0 HG2 LYS A 1 2.810 2.630 6.116 1.00 1.00 H new ATOM 0 HG3 LYS A 1 1.418 3.694 6.162 1.00 1.00 H new ATOM 0 HD2 LYS A 1 1.237 2.235 8.065 1.00 1.00 H new ATOM 0 HD3 LYS A 1 0.012 1.726 6.920 1.00 1.00 H new ATOM 0 HE2 LYS A 1 1.186 -0.222 7.869 1.00 1.00 H new ATOM 0 HE3 LYS A 1 1.449 -0.118 6.139 1.00 1.00 H new ATOM 0 HZ1 LYS A 1 3.444 -0.595 7.576 1.00 1.00 H new ATOM 0 HZ2 LYS A 1 3.621 0.655 6.441 1.00 1.00 H new ATOM 0 HZ3 LYS A 1 3.372 1.026 8.079 1.00 1.00 H new ATOM 22 N LYS A 2 0.244 2.459 1.873 1.00 1.00 N ATOM 23 CA LYS A 2 -0.311 1.940 0.628 1.00 1.00 C ATOM 24 C LYS A 2 -1.321 2.940 0.116 1.00 1.00 C ATOM 25 O LYS A 2 -1.770 3.811 0.870 1.00 1.00 O ATOM 26 CB LYS A 2 -1.062 0.609 0.856 1.00 1.00 C ATOM 27 CG LYS A 2 -0.225 -0.579 1.342 1.00 1.00 C ATOM 28 CD LYS A 2 -0.111 -0.623 2.869 1.00 1.00 C ATOM 29 CE LYS A 2 -1.475 -0.732 3.585 1.00 1.00 C ATOM 30 NZ LYS A 2 -2.174 -2.015 3.329 1.00 1.00 N ATOM 0 H LYS A 2 -0.466 2.784 2.529 1.00 1.00 H new ATOM 0 HA LYS A 2 0.508 1.775 -0.072 1.00 1.00 H new ATOM 0 HB2 LYS A 2 -1.855 0.786 1.582 1.00 1.00 H new ATOM 0 HB3 LYS A 2 -1.544 0.326 -0.080 1.00 1.00 H new ATOM 0 HG2 LYS A 2 -0.674 -1.507 0.986 1.00 1.00 H new ATOM 0 HG3 LYS A 2 0.773 -0.520 0.907 1.00 1.00 H new ATOM 0 HD2 LYS A 2 0.510 -1.472 3.155 1.00 1.00 H new ATOM 0 HD3 LYS A 2 0.401 0.276 3.213 1.00 1.00 H new ATOM 0 HE2 LYS A 2 -1.324 -0.617 4.658 1.00 1.00 H new ATOM 0 HE3 LYS A 2 -2.113 0.091 3.263 1.00 1.00 H new ATOM 0 HZ1 LYS A 2 -3.081 -2.024 3.838 1.00 1.00 H new ATOM 0 HZ2 LYS A 2 -2.348 -2.118 2.309 1.00 1.00 H new ATOM 0 HZ3 LYS A 2 -1.584 -2.804 3.661 1.00 1.00 H new ATOM 44 N ASP A 3 -1.704 2.824 -1.130 1.00 1.00 N ATOM 45 CA ASP A 3 -2.741 3.678 -1.681 1.00 1.00 C ATOM 46 C ASP A 3 -4.101 3.083 -1.344 1.00 1.00 C ATOM 47 O ASP A 3 -4.836 2.590 -2.180 1.00 1.00 O ATOM 48 CB ASP A 3 -2.571 3.933 -3.203 1.00 1.00 C ATOM 49 CG ASP A 3 -2.637 2.688 -4.075 1.00 1.00 C ATOM 50 OD1 ASP A 3 -1.738 1.823 -3.967 1.00 1.00 O ATOM 51 OD2 ASP A 3 -3.566 2.579 -4.901 1.00 1.00 O ATOM 0 H ASP A 3 -1.317 2.148 -1.788 1.00 1.00 H new ATOM 0 HA ASP A 3 -2.657 4.663 -1.222 1.00 1.00 H new ATOM 0 HB2 ASP A 3 -3.345 4.628 -3.528 1.00 1.00 H new ATOM 0 HB3 ASP A 3 -1.612 4.424 -3.369 1.00 1.00 H new ATOM 56 N VAL A 4 -4.390 3.101 -0.082 1.00 1.00 N ATOM 57 CA VAL A 4 -5.602 2.545 0.445 1.00 1.00 C ATOM 58 C VAL A 4 -6.381 3.639 1.176 1.00 1.00 C ATOM 59 O VAL A 4 -7.274 3.379 1.979 1.00 1.00 O ATOM 60 CB VAL A 4 -5.281 1.330 1.375 1.00 1.00 C ATOM 61 CG1 VAL A 4 -4.556 1.758 2.643 1.00 1.00 C ATOM 62 CG2 VAL A 4 -6.520 0.492 1.681 1.00 1.00 C ATOM 0 H VAL A 4 -3.781 3.509 0.627 1.00 1.00 H new ATOM 0 HA VAL A 4 -6.225 2.170 -0.367 1.00 1.00 H new ATOM 0 HB VAL A 4 -4.598 0.686 0.821 1.00 1.00 H new ATOM 0 HG11 VAL A 4 -4.353 0.882 3.259 1.00 1.00 H new ATOM 0 HG12 VAL A 4 -3.616 2.242 2.379 1.00 1.00 H new ATOM 0 HG13 VAL A 4 -5.180 2.457 3.200 1.00 1.00 H new ATOM 0 HG21 VAL A 4 -6.246 -0.340 2.330 1.00 1.00 H new ATOM 0 HG22 VAL A 4 -7.264 1.112 2.181 1.00 1.00 H new ATOM 0 HG23 VAL A 4 -6.936 0.104 0.751 1.00 1.00 H new ATOM 72 N GLU A 5 -6.066 4.879 0.846 1.00 1.00 N ATOM 73 CA GLU A 5 -6.689 6.008 1.483 1.00 1.00 C ATOM 74 C GLU A 5 -7.928 6.406 0.741 1.00 1.00 C ATOM 75 O GLU A 5 -8.111 7.542 0.301 1.00 1.00 O ATOM 76 CB GLU A 5 -5.710 7.146 1.686 1.00 1.00 C ATOM 77 CG GLU A 5 -4.688 6.823 2.753 1.00 1.00 C ATOM 78 CD GLU A 5 -5.321 6.704 4.122 1.00 1.00 C ATOM 79 OE1 GLU A 5 -5.747 7.736 4.679 1.00 1.00 O ATOM 80 OE2 GLU A 5 -5.417 5.584 4.653 1.00 1.00 O ATOM 0 H GLU A 5 -5.377 5.123 0.135 1.00 1.00 H new ATOM 0 HA GLU A 5 -7.004 5.719 2.486 1.00 1.00 H new ATOM 0 HB2 GLU A 5 -5.200 7.359 0.747 1.00 1.00 H new ATOM 0 HB3 GLU A 5 -6.254 8.048 1.965 1.00 1.00 H new ATOM 0 HG2 GLU A 5 -4.185 5.889 2.503 1.00 1.00 H new ATOM 0 HG3 GLU A 5 -3.925 7.601 2.772 1.00 1.00 H new ATOM 87 N TYR A 6 -8.745 5.422 0.597 1.00 1.00 N ATOM 88 CA TYR A 6 -10.013 5.465 0.045 1.00 1.00 C ATOM 89 C TYR A 6 -10.788 4.691 1.066 1.00 1.00 C ATOM 90 O TYR A 6 -10.192 4.257 2.056 1.00 1.00 O ATOM 91 CB TYR A 6 -10.031 4.727 -1.303 1.00 1.00 C ATOM 92 CG TYR A 6 -8.955 5.167 -2.292 1.00 1.00 C ATOM 93 CD1 TYR A 6 -9.009 6.404 -2.900 1.00 1.00 C ATOM 94 CD2 TYR A 6 -7.894 4.330 -2.616 1.00 1.00 C ATOM 95 CE1 TYR A 6 -8.045 6.804 -3.807 1.00 1.00 C ATOM 96 CE2 TYR A 6 -6.930 4.717 -3.525 1.00 1.00 C ATOM 97 CZ TYR A 6 -7.009 5.952 -4.117 1.00 1.00 C ATOM 98 OH TYR A 6 -6.055 6.331 -5.036 1.00 1.00 O ATOM 0 H TYR A 6 -8.496 4.481 0.901 1.00 1.00 H new ATOM 0 HA TYR A 6 -10.391 6.468 -0.154 1.00 1.00 H new ATOM 0 HB2 TYR A 6 -9.918 3.659 -1.117 1.00 1.00 H new ATOM 0 HB3 TYR A 6 -11.008 4.869 -1.765 1.00 1.00 H new ATOM 0 HD1 TYR A 6 -9.822 7.074 -2.663 1.00 1.00 H new ATOM 0 HD2 TYR A 6 -7.822 3.359 -2.148 1.00 1.00 H new ATOM 0 HE1 TYR A 6 -8.104 7.778 -4.269 1.00 1.00 H new ATOM 0 HE2 TYR A 6 -6.117 4.050 -3.769 1.00 1.00 H new ATOM 0 HH TYR A 6 -5.395 5.614 -5.137 1.00 1.00 H new ATOM 108 N ARG A 7 -12.029 4.486 0.904 1.00 1.00 N ATOM 109 CA ARG A 7 -12.708 3.756 1.939 1.00 1.00 C ATOM 110 C ARG A 7 -13.066 2.364 1.519 1.00 1.00 C ATOM 111 O ARG A 7 -13.869 2.178 0.621 1.00 1.00 O ATOM 112 CB ARG A 7 -13.898 4.516 2.524 1.00 1.00 C ATOM 113 CG ARG A 7 -13.503 5.810 3.229 1.00 1.00 C ATOM 114 CD ARG A 7 -12.480 5.563 4.340 1.00 1.00 C ATOM 115 NE ARG A 7 -12.013 6.807 4.952 1.00 1.00 N ATOM 116 CZ ARG A 7 -10.780 6.998 5.457 1.00 1.00 C ATOM 117 NH1 ARG A 7 -9.874 6.022 5.416 1.00 1.00 N ATOM 118 NH2 ARG A 7 -10.457 8.169 5.992 1.00 1.00 N ATOM 0 H ARG A 7 -12.594 4.788 0.111 1.00 1.00 H new ATOM 0 HA ARG A 7 -11.990 3.656 2.753 1.00 1.00 H new ATOM 0 HB2 ARG A 7 -14.601 4.747 1.724 1.00 1.00 H new ATOM 0 HB3 ARG A 7 -14.420 3.871 3.231 1.00 1.00 H new ATOM 0 HG2 ARG A 7 -13.088 6.508 2.502 1.00 1.00 H new ATOM 0 HG3 ARG A 7 -14.391 6.280 3.651 1.00 1.00 H new ATOM 0 HD2 ARG A 7 -12.925 4.929 5.106 1.00 1.00 H new ATOM 0 HD3 ARG A 7 -11.628 5.019 3.932 1.00 1.00 H new ATOM 0 HE ARG A 7 -12.669 7.586 4.999 1.00 1.00 H new ATOM 0 HH11 ARG A 7 -10.113 5.122 5.000 1.00 1.00 H new ATOM 0 HH12 ARG A 7 -8.942 6.175 5.801 1.00 1.00 H new ATOM 0 HH21 ARG A 7 -11.143 8.923 6.020 1.00 1.00 H new ATOM 0 HH22 ARG A 7 -9.523 8.314 6.375 1.00 1.00 H new ATOM 132 N PRO A 8 -12.408 1.354 2.122 1.00 1.00 N ATOM 133 CA PRO A 8 -12.763 -0.031 1.911 1.00 1.00 C ATOM 134 C PRO A 8 -14.108 -0.261 2.544 1.00 1.00 C ATOM 135 O PRO A 8 -14.256 -0.226 3.775 1.00 1.00 O ATOM 136 CB PRO A 8 -11.664 -0.830 2.645 1.00 1.00 C ATOM 137 CG PRO A 8 -10.591 0.167 2.935 1.00 1.00 C ATOM 138 CD PRO A 8 -11.274 1.492 3.045 1.00 1.00 C ATOM 0 HA PRO A 8 -12.827 -0.321 0.862 1.00 1.00 H new ATOM 0 HB2 PRO A 8 -12.047 -1.276 3.563 1.00 1.00 H new ATOM 0 HB3 PRO A 8 -11.289 -1.645 2.026 1.00 1.00 H new ATOM 0 HG2 PRO A 8 -10.069 -0.080 3.859 1.00 1.00 H new ATOM 0 HG3 PRO A 8 -9.845 0.178 2.141 1.00 1.00 H new ATOM 0 HD2 PRO A 8 -11.605 1.693 4.064 1.00 1.00 H new ATOM 0 HD3 PRO A 8 -10.615 2.311 2.756 1.00 1.00 H new ATOM 146 N LEU A 9 -15.069 -0.478 1.734 1.00 1.00 N ATOM 147 CA LEU A 9 -16.406 -0.553 2.178 1.00 1.00 C ATOM 148 C LEU A 9 -16.903 -1.966 2.161 1.00 1.00 C ATOM 149 O LEU A 9 -16.392 -2.816 1.420 1.00 1.00 O ATOM 150 CB LEU A 9 -17.288 0.297 1.287 1.00 1.00 C ATOM 151 CG LEU A 9 -18.668 0.575 1.830 1.00 1.00 C ATOM 152 CD1 LEU A 9 -18.694 1.877 2.579 1.00 1.00 C ATOM 153 CD2 LEU A 9 -19.703 0.531 0.751 1.00 1.00 C ATOM 0 H LEU A 9 -14.950 -0.611 0.730 1.00 1.00 H new ATOM 0 HA LEU A 9 -16.444 -0.184 3.203 1.00 1.00 H new ATOM 0 HB2 LEU A 9 -16.787 1.248 1.107 1.00 1.00 H new ATOM 0 HB3 LEU A 9 -17.387 -0.199 0.321 1.00 1.00 H new ATOM 0 HG LEU A 9 -18.917 -0.217 2.537 1.00 1.00 H new ATOM 0 HD11 LEU A 9 -19.699 2.057 2.961 1.00 1.00 H new ATOM 0 HD12 LEU A 9 -17.992 1.832 3.411 1.00 1.00 H new ATOM 0 HD13 LEU A 9 -18.411 2.688 1.908 1.00 1.00 H new ATOM 0 HD21 LEU A 9 -20.684 0.736 1.179 1.00 1.00 H new ATOM 0 HD22 LEU A 9 -19.473 1.282 -0.005 1.00 1.00 H new ATOM 0 HD23 LEU A 9 -19.707 -0.457 0.291 1.00 1.00 H new ATOM 165 N THR A 10 -17.875 -2.220 2.990 1.00 1.00 N ATOM 166 CA THR A 10 -18.525 -3.490 3.009 1.00 1.00 C ATOM 167 C THR A 10 -19.656 -3.416 1.998 1.00 1.00 C ATOM 168 O THR A 10 -20.528 -2.554 2.099 1.00 1.00 O ATOM 169 CB THR A 10 -19.111 -3.784 4.401 1.00 1.00 C ATOM 170 OG1 THR A 10 -18.108 -3.536 5.406 1.00 1.00 O ATOM 171 CG2 THR A 10 -19.573 -5.233 4.497 1.00 1.00 C ATOM 0 H THR A 10 -18.236 -1.550 3.669 1.00 1.00 H new ATOM 0 HA THR A 10 -17.815 -4.282 2.770 1.00 1.00 H new ATOM 0 HB THR A 10 -19.969 -3.132 4.561 1.00 1.00 H new ATOM 0 HG1 THR A 10 -17.961 -2.571 5.490 1.00 1.00 H new ATOM 0 HG21 THR A 10 -19.984 -5.419 5.489 1.00 1.00 H new ATOM 0 HG22 THR A 10 -20.340 -5.421 3.746 1.00 1.00 H new ATOM 0 HG23 THR A 10 -18.726 -5.897 4.325 1.00 1.00 H new ATOM 179 N LEU A 11 -19.610 -4.239 1.019 1.00 1.00 N ATOM 180 CA LEU A 11 -20.601 -4.226 0.005 1.00 1.00 C ATOM 181 C LEU A 11 -21.153 -5.644 -0.156 1.00 1.00 C ATOM 182 O LEU A 11 -20.406 -6.606 -0.079 1.00 1.00 O ATOM 183 CB LEU A 11 -19.955 -3.690 -1.279 1.00 1.00 C ATOM 184 CG LEU A 11 -20.866 -3.011 -2.292 1.00 1.00 C ATOM 185 CD1 LEU A 11 -21.653 -4.012 -3.067 1.00 1.00 C ATOM 186 CD2 LEU A 11 -21.790 -2.033 -1.600 1.00 1.00 C ATOM 0 H LEU A 11 -18.883 -4.944 0.895 1.00 1.00 H new ATOM 0 HA LEU A 11 -21.440 -3.578 0.256 1.00 1.00 H new ATOM 0 HB2 LEU A 11 -19.179 -2.979 -0.994 1.00 1.00 H new ATOM 0 HB3 LEU A 11 -19.457 -4.522 -1.778 1.00 1.00 H new ATOM 0 HG LEU A 11 -20.237 -2.463 -2.994 1.00 1.00 H new ATOM 0 HD11 LEU A 11 -22.294 -3.496 -3.782 1.00 1.00 H new ATOM 0 HD12 LEU A 11 -20.973 -4.675 -3.602 1.00 1.00 H new ATOM 0 HD13 LEU A 11 -22.269 -4.598 -2.385 1.00 1.00 H new ATOM 0 HD21 LEU A 11 -22.434 -1.556 -2.339 1.00 1.00 H new ATOM 0 HD22 LEU A 11 -22.403 -2.564 -0.872 1.00 1.00 H new ATOM 0 HD23 LEU A 11 -21.199 -1.273 -1.090 1.00 1.00 H new ATOM 198 N ASN A 12 -22.437 -5.785 -0.352 1.00 1.00 N ATOM 199 CA ASN A 12 -23.020 -7.092 -0.467 1.00 1.00 C ATOM 200 C ASN A 12 -23.305 -7.436 -1.917 1.00 1.00 C ATOM 201 O ASN A 12 -24.074 -6.734 -2.592 1.00 1.00 O ATOM 202 CB ASN A 12 -24.282 -7.196 0.369 1.00 1.00 C ATOM 203 CG ASN A 12 -24.873 -8.575 0.318 1.00 1.00 C ATOM 204 OD1 ASN A 12 -25.823 -8.771 -0.542 1.00 1.00 O flip ATOM 205 ND2 ASN A 12 -24.467 -9.460 1.050 1.00 1.00 N flip ATOM 0 H ASN A 12 -23.097 -5.012 -0.435 1.00 1.00 H new ATOM 0 HA ASN A 12 -22.299 -7.815 -0.085 1.00 1.00 H new ATOM 0 HB2 ASN A 12 -24.055 -6.936 1.403 1.00 1.00 H new ATOM 0 HB3 ASN A 12 -25.015 -6.473 0.012 1.00 1.00 H new ATOM 0 HD21 ASN A 12 -23.717 -9.268 1.715 1.00 1.00 H new ATOM 0 HD22 ASN A 12 -24.877 -10.393 0.998 1.00 1.00 H new ATOM 212 N ALA A 13 -22.689 -8.513 -2.389 1.00 1.00 N ATOM 213 CA ALA A 13 -22.825 -8.954 -3.761 1.00 1.00 C ATOM 214 C ALA A 13 -24.108 -9.717 -3.939 1.00 1.00 C ATOM 215 O ALA A 13 -24.235 -10.857 -3.457 1.00 1.00 O ATOM 216 CB ALA A 13 -21.651 -9.845 -4.154 1.00 1.00 C ATOM 0 H ALA A 13 -22.079 -9.104 -1.824 1.00 1.00 H new ATOM 0 HA ALA A 13 -22.836 -8.072 -4.402 1.00 1.00 H new ATOM 0 HB1 ALA A 13 -21.769 -10.168 -5.188 1.00 1.00 H new ATOM 0 HB2 ALA A 13 -20.720 -9.287 -4.052 1.00 1.00 H new ATOM 0 HB3 ALA A 13 -21.623 -10.718 -3.503 1.00 1.00 H new ATOM 222 N LEU A 14 -25.052 -9.125 -4.613 1.00 1.00 N ATOM 223 CA LEU A 14 -26.314 -9.754 -4.822 1.00 1.00 C ATOM 224 C LEU A 14 -26.808 -9.442 -6.238 1.00 1.00 C ATOM 225 O LEU A 14 -26.334 -8.498 -6.873 1.00 1.00 O ATOM 226 CB LEU A 14 -27.303 -9.245 -3.775 1.00 1.00 C ATOM 227 CG LEU A 14 -28.619 -9.989 -3.666 1.00 1.00 C ATOM 228 CD1 LEU A 14 -28.366 -11.419 -3.187 1.00 1.00 C ATOM 229 CD2 LEU A 14 -29.549 -9.255 -2.717 1.00 1.00 C ATOM 0 H LEU A 14 -24.965 -8.198 -5.029 1.00 1.00 H new ATOM 0 HA LEU A 14 -26.220 -10.835 -4.720 1.00 1.00 H new ATOM 0 HB2 LEU A 14 -26.814 -9.274 -2.802 1.00 1.00 H new ATOM 0 HB3 LEU A 14 -27.520 -8.199 -3.991 1.00 1.00 H new ATOM 0 HG LEU A 14 -29.095 -10.033 -4.646 1.00 1.00 H new ATOM 0 HD11 LEU A 14 -29.315 -11.950 -3.110 1.00 1.00 H new ATOM 0 HD12 LEU A 14 -27.720 -11.932 -3.899 1.00 1.00 H new ATOM 0 HD13 LEU A 14 -27.883 -11.395 -2.210 1.00 1.00 H new ATOM 0 HD21 LEU A 14 -30.493 -9.795 -2.643 1.00 1.00 H new ATOM 0 HD22 LEU A 14 -29.088 -9.193 -1.731 1.00 1.00 H new ATOM 0 HD23 LEU A 14 -29.735 -8.249 -3.095 1.00 1.00 H new ATOM 241 N LEU A 15 -27.715 -10.240 -6.737 1.00 1.00 N ATOM 242 CA LEU A 15 -28.275 -10.015 -8.039 1.00 1.00 C ATOM 243 C LEU A 15 -29.791 -10.064 -7.960 1.00 1.00 C ATOM 244 O LEU A 15 -30.351 -10.835 -7.181 1.00 1.00 O ATOM 245 CB LEU A 15 -27.684 -10.979 -9.103 1.00 1.00 C ATOM 246 CG LEU A 15 -28.322 -12.360 -9.270 1.00 1.00 C ATOM 247 CD1 LEU A 15 -27.646 -13.113 -10.407 1.00 1.00 C ATOM 248 CD2 LEU A 15 -28.211 -13.164 -8.004 1.00 1.00 C ATOM 0 H LEU A 15 -28.083 -11.059 -6.254 1.00 1.00 H new ATOM 0 HA LEU A 15 -27.995 -9.017 -8.377 1.00 1.00 H new ATOM 0 HB2 LEU A 15 -27.728 -10.475 -10.068 1.00 1.00 H new ATOM 0 HB3 LEU A 15 -26.630 -11.127 -8.868 1.00 1.00 H new ATOM 0 HG LEU A 15 -29.378 -12.217 -9.500 1.00 1.00 H new ATOM 0 HD11 LEU A 15 -28.107 -14.095 -10.518 1.00 1.00 H new ATOM 0 HD12 LEU A 15 -27.760 -12.551 -11.334 1.00 1.00 H new ATOM 0 HD13 LEU A 15 -26.586 -13.233 -10.184 1.00 1.00 H new ATOM 0 HD21 LEU A 15 -28.673 -14.140 -8.151 1.00 1.00 H new ATOM 0 HD22 LEU A 15 -27.160 -13.295 -7.747 1.00 1.00 H new ATOM 0 HD23 LEU A 15 -28.720 -12.641 -7.195 1.00 1.00 H new ATOM 260 N ALA A 16 -30.439 -9.238 -8.730 1.00 1.00 N ATOM 261 CA ALA A 16 -31.892 -9.120 -8.680 1.00 1.00 C ATOM 262 C ALA A 16 -32.525 -9.697 -9.936 1.00 1.00 C ATOM 263 O ALA A 16 -33.488 -9.146 -10.463 1.00 1.00 O ATOM 264 CB ALA A 16 -32.264 -7.657 -8.543 1.00 1.00 C ATOM 0 H ALA A 16 -29.991 -8.625 -9.411 1.00 1.00 H new ATOM 0 HA ALA A 16 -32.264 -9.682 -7.823 1.00 1.00 H new ATOM 0 HB1 ALA A 16 -33.349 -7.559 -8.505 1.00 1.00 H new ATOM 0 HB2 ALA A 16 -31.831 -7.256 -7.627 1.00 1.00 H new ATOM 0 HB3 ALA A 16 -31.880 -7.102 -9.399 1.00 1.00 H new ATOM 270 N VAL A 17 -31.994 -10.806 -10.409 1.00 1.00 N ATOM 271 CA VAL A 17 -32.443 -11.403 -11.611 1.00 1.00 C ATOM 272 C VAL A 17 -33.887 -11.908 -11.499 1.00 1.00 C ATOM 273 O VAL A 17 -34.700 -11.663 -12.382 1.00 1.00 O ATOM 274 CB VAL A 17 -31.481 -12.529 -12.010 1.00 1.00 C ATOM 275 CG1 VAL A 17 -32.061 -13.352 -13.086 1.00 1.00 C ATOM 276 CG2 VAL A 17 -30.169 -11.947 -12.464 1.00 1.00 C ATOM 0 H VAL A 17 -31.233 -11.308 -9.952 1.00 1.00 H new ATOM 0 HA VAL A 17 -32.447 -10.645 -12.394 1.00 1.00 H new ATOM 0 HB VAL A 17 -31.313 -13.163 -11.140 1.00 1.00 H new ATOM 0 HG11 VAL A 17 -31.363 -14.145 -13.354 1.00 1.00 H new ATOM 0 HG12 VAL A 17 -32.997 -13.793 -12.742 1.00 1.00 H new ATOM 0 HG13 VAL A 17 -32.253 -12.727 -13.958 1.00 1.00 H new ATOM 0 HG21 VAL A 17 -29.491 -12.753 -12.746 1.00 1.00 H new ATOM 0 HG22 VAL A 17 -30.337 -11.297 -13.323 1.00 1.00 H new ATOM 0 HG23 VAL A 17 -29.727 -11.369 -11.653 1.00 1.00 H new ATOM 286 N GLY A 18 -34.196 -12.580 -10.413 1.00 1.00 N ATOM 287 CA GLY A 18 -35.532 -13.092 -10.243 1.00 1.00 C ATOM 288 C GLY A 18 -35.567 -14.300 -9.343 1.00 1.00 C ATOM 289 O GLY A 18 -35.890 -14.173 -8.161 1.00 1.00 O ATOM 0 H GLY A 18 -33.552 -12.781 -9.648 1.00 1.00 H new ATOM 0 HA2 GLY A 18 -36.168 -12.311 -9.826 1.00 1.00 H new ATOM 0 HA3 GLY A 18 -35.946 -13.354 -11.217 1.00 1.00 H new ATOM 293 N PRO A 19 -35.217 -15.499 -9.864 1.00 1.00 N ATOM 294 CA PRO A 19 -35.247 -16.749 -9.082 1.00 1.00 C ATOM 295 C PRO A 19 -34.303 -16.707 -7.882 1.00 1.00 C ATOM 296 O PRO A 19 -34.569 -17.308 -6.852 1.00 1.00 O ATOM 297 CB PRO A 19 -34.773 -17.810 -10.087 1.00 1.00 C ATOM 298 CG PRO A 19 -34.027 -17.038 -11.115 1.00 1.00 C ATOM 299 CD PRO A 19 -34.770 -15.746 -11.249 1.00 1.00 C ATOM 0 HA PRO A 19 -36.236 -16.942 -8.666 1.00 1.00 H new ATOM 0 HB2 PRO A 19 -34.136 -18.554 -9.609 1.00 1.00 H new ATOM 0 HB3 PRO A 19 -35.615 -18.346 -10.526 1.00 1.00 H new ATOM 0 HG2 PRO A 19 -32.995 -16.869 -10.809 1.00 1.00 H new ATOM 0 HG3 PRO A 19 -33.994 -17.574 -12.064 1.00 1.00 H new ATOM 0 HD2 PRO A 19 -34.130 -14.945 -11.619 1.00 1.00 H new ATOM 0 HD3 PRO A 19 -35.610 -15.829 -11.939 1.00 1.00 H new ATOM 307 N GLY A 20 -33.215 -15.989 -8.025 1.00 1.00 N ATOM 308 CA GLY A 20 -32.261 -15.876 -6.963 1.00 1.00 C ATOM 309 C GLY A 20 -32.134 -14.462 -6.481 1.00 1.00 C ATOM 310 O GLY A 20 -31.093 -14.068 -5.959 1.00 1.00 O ATOM 0 H GLY A 20 -32.973 -15.475 -8.872 1.00 1.00 H new ATOM 0 HA2 GLY A 20 -32.561 -16.518 -6.134 1.00 1.00 H new ATOM 0 HA3 GLY A 20 -31.290 -16.232 -7.307 1.00 1.00 H new ATOM 314 N ALA A 21 -33.199 -13.695 -6.621 1.00 1.00 N ATOM 315 CA ALA A 21 -33.169 -12.286 -6.265 1.00 1.00 C ATOM 316 C ALA A 21 -33.285 -12.084 -4.762 1.00 1.00 C ATOM 317 O ALA A 21 -34.337 -11.753 -4.244 1.00 1.00 O ATOM 318 CB ALA A 21 -34.245 -11.516 -7.004 1.00 1.00 C ATOM 0 H ALA A 21 -34.096 -14.023 -6.979 1.00 1.00 H new ATOM 0 HA ALA A 21 -32.200 -11.892 -6.572 1.00 1.00 H new ATOM 0 HB1 ALA A 21 -34.201 -10.465 -6.719 1.00 1.00 H new ATOM 0 HB2 ALA A 21 -34.086 -11.608 -8.078 1.00 1.00 H new ATOM 0 HB3 ALA A 21 -35.224 -11.920 -6.746 1.00 1.00 H new ATOM 324 N GLY A 22 -32.201 -12.341 -4.083 1.00 1.00 N ATOM 325 CA GLY A 22 -32.132 -12.124 -2.657 1.00 1.00 C ATOM 326 C GLY A 22 -31.728 -13.369 -1.963 1.00 1.00 C ATOM 327 O GLY A 22 -31.299 -13.348 -0.814 1.00 1.00 O ATOM 0 H GLY A 22 -31.342 -12.705 -4.496 1.00 1.00 H new ATOM 0 HA2 GLY A 22 -31.418 -11.330 -2.438 1.00 1.00 H new ATOM 0 HA3 GLY A 22 -33.102 -11.792 -2.286 1.00 1.00 H new ATOM 331 N GLU A 23 -31.819 -14.452 -2.687 1.00 1.00 N ATOM 332 CA GLU A 23 -31.526 -15.752 -2.164 1.00 1.00 C ATOM 333 C GLU A 23 -30.431 -16.449 -2.970 1.00 1.00 C ATOM 334 O GLU A 23 -30.391 -17.682 -3.069 1.00 1.00 O ATOM 335 CB GLU A 23 -32.784 -16.585 -2.178 1.00 1.00 C ATOM 336 CG GLU A 23 -33.432 -16.738 -3.538 1.00 1.00 C ATOM 337 CD GLU A 23 -34.587 -17.703 -3.507 1.00 1.00 C ATOM 338 OE1 GLU A 23 -34.344 -18.924 -3.512 1.00 1.00 O ATOM 339 OE2 GLU A 23 -35.754 -17.258 -3.484 1.00 1.00 O ATOM 0 H GLU A 23 -32.102 -14.453 -3.667 1.00 1.00 H new ATOM 0 HA GLU A 23 -31.162 -15.639 -1.143 1.00 1.00 H new ATOM 0 HB2 GLU A 23 -32.550 -17.576 -1.789 1.00 1.00 H new ATOM 0 HB3 GLU A 23 -33.507 -16.137 -1.496 1.00 1.00 H new ATOM 0 HG2 GLU A 23 -33.781 -15.765 -3.885 1.00 1.00 H new ATOM 0 HG3 GLU A 23 -32.689 -17.084 -4.257 1.00 1.00 H new ATOM 346 N ALA A 24 -29.548 -15.683 -3.535 1.00 1.00 N ATOM 347 CA ALA A 24 -28.497 -16.255 -4.340 1.00 1.00 C ATOM 348 C ALA A 24 -27.256 -16.499 -3.514 1.00 1.00 C ATOM 349 O ALA A 24 -27.102 -17.556 -2.906 1.00 1.00 O ATOM 350 CB ALA A 24 -28.183 -15.379 -5.525 1.00 1.00 C ATOM 0 H ALA A 24 -29.528 -14.666 -3.458 1.00 1.00 H new ATOM 0 HA ALA A 24 -28.851 -17.215 -4.715 1.00 1.00 H new ATOM 0 HB1 ALA A 24 -27.387 -15.835 -6.114 1.00 1.00 H new ATOM 0 HB2 ALA A 24 -29.074 -15.269 -6.143 1.00 1.00 H new ATOM 0 HB3 ALA A 24 -27.860 -14.398 -5.177 1.00 1.00 H new ATOM 356 N GLN A 25 -26.391 -15.513 -3.468 1.00 1.00 N ATOM 357 CA GLN A 25 -25.164 -15.624 -2.750 1.00 1.00 C ATOM 358 C GLN A 25 -25.142 -14.704 -1.519 1.00 1.00 C ATOM 359 O GLN A 25 -24.960 -15.180 -0.409 1.00 1.00 O ATOM 360 CB GLN A 25 -23.999 -15.359 -3.703 1.00 1.00 C ATOM 361 CG GLN A 25 -24.170 -14.097 -4.523 1.00 1.00 C ATOM 362 CD GLN A 25 -23.117 -13.919 -5.569 1.00 1.00 C ATOM 363 OE1 GLN A 25 -22.638 -14.872 -6.171 1.00 1.00 O ATOM 364 NE2 GLN A 25 -22.741 -12.705 -5.779 1.00 1.00 N ATOM 0 H GLN A 25 -26.528 -14.615 -3.931 1.00 1.00 H new ATOM 0 HA GLN A 25 -25.064 -16.637 -2.361 1.00 1.00 H new ATOM 0 HB2 GLN A 25 -23.077 -15.287 -3.127 1.00 1.00 H new ATOM 0 HB3 GLN A 25 -23.889 -16.209 -4.376 1.00 1.00 H new ATOM 0 HG2 GLN A 25 -25.148 -14.115 -5.003 1.00 1.00 H new ATOM 0 HG3 GLN A 25 -24.158 -13.235 -3.856 1.00 1.00 H new ATOM 0 HE21 GLN A 25 -23.167 -11.941 -5.255 1.00 1.00 H new ATOM 0 HE22 GLN A 25 -22.017 -12.508 -6.470 1.00 1.00 H new ATOM 373 N GLY A 26 -25.360 -13.389 -1.729 1.00 1.00 N ATOM 374 CA GLY A 26 -25.325 -12.427 -0.624 1.00 1.00 C ATOM 375 C GLY A 26 -23.999 -12.453 0.084 1.00 1.00 C ATOM 376 O GLY A 26 -23.904 -12.831 1.251 1.00 1.00 O ATOM 0 H GLY A 26 -25.559 -12.980 -2.642 1.00 1.00 H new ATOM 0 HA2 GLY A 26 -25.515 -11.424 -1.006 1.00 1.00 H new ATOM 0 HA3 GLY A 26 -26.122 -12.655 0.084 1.00 1.00 H new ATOM 380 N VAL A 27 -22.978 -12.054 -0.620 1.00 1.00 N ATOM 381 CA VAL A 27 -21.634 -12.134 -0.096 1.00 1.00 C ATOM 382 C VAL A 27 -21.095 -10.754 0.184 1.00 1.00 C ATOM 383 O VAL A 27 -21.095 -9.899 -0.700 1.00 1.00 O ATOM 384 CB VAL A 27 -20.681 -12.861 -1.082 1.00 1.00 C ATOM 385 CG1 VAL A 27 -19.299 -13.070 -0.468 1.00 1.00 C ATOM 386 CG2 VAL A 27 -21.276 -14.182 -1.517 1.00 1.00 C ATOM 0 H VAL A 27 -23.046 -11.668 -1.562 1.00 1.00 H new ATOM 0 HA VAL A 27 -21.681 -12.707 0.830 1.00 1.00 H new ATOM 0 HB VAL A 27 -20.561 -12.227 -1.960 1.00 1.00 H new ATOM 0 HG11 VAL A 27 -18.656 -13.582 -1.184 1.00 1.00 H new ATOM 0 HG12 VAL A 27 -18.863 -12.103 -0.215 1.00 1.00 H new ATOM 0 HG13 VAL A 27 -19.389 -13.674 0.435 1.00 1.00 H new ATOM 0 HG21 VAL A 27 -20.594 -14.678 -2.208 1.00 1.00 H new ATOM 0 HG22 VAL A 27 -21.432 -14.816 -0.644 1.00 1.00 H new ATOM 0 HG23 VAL A 27 -22.230 -14.005 -2.013 1.00 1.00 H new ATOM 396 N PRO A 28 -20.662 -10.504 1.415 1.00 1.00 N ATOM 397 CA PRO A 28 -20.048 -9.249 1.775 1.00 1.00 C ATOM 398 C PRO A 28 -18.607 -9.179 1.257 1.00 1.00 C ATOM 399 O PRO A 28 -17.691 -9.817 1.801 1.00 1.00 O ATOM 400 CB PRO A 28 -20.078 -9.254 3.303 1.00 1.00 C ATOM 401 CG PRO A 28 -20.123 -10.695 3.692 1.00 1.00 C ATOM 402 CD PRO A 28 -20.770 -11.429 2.553 1.00 1.00 C ATOM 0 HA PRO A 28 -20.562 -8.389 1.346 1.00 1.00 H new ATOM 0 HB2 PRO A 28 -19.197 -8.763 3.715 1.00 1.00 H new ATOM 0 HB3 PRO A 28 -20.948 -8.717 3.681 1.00 1.00 H new ATOM 0 HG2 PRO A 28 -19.119 -11.077 3.878 1.00 1.00 H new ATOM 0 HG3 PRO A 28 -20.691 -10.830 4.612 1.00 1.00 H new ATOM 0 HD2 PRO A 28 -20.263 -12.372 2.348 1.00 1.00 H new ATOM 0 HD3 PRO A 28 -21.810 -11.668 2.774 1.00 1.00 H new ATOM 410 N VAL A 29 -18.432 -8.428 0.213 1.00 1.00 N ATOM 411 CA VAL A 29 -17.146 -8.235 -0.428 1.00 1.00 C ATOM 412 C VAL A 29 -16.680 -6.818 -0.153 1.00 1.00 C ATOM 413 O VAL A 29 -17.502 -5.941 0.140 1.00 1.00 O ATOM 414 CB VAL A 29 -17.266 -8.450 -1.964 1.00 1.00 C ATOM 415 CG1 VAL A 29 -15.922 -8.357 -2.660 1.00 1.00 C ATOM 416 CG2 VAL A 29 -17.956 -9.773 -2.282 1.00 1.00 C ATOM 0 H VAL A 29 -19.191 -7.915 -0.236 1.00 1.00 H new ATOM 0 HA VAL A 29 -16.431 -8.956 -0.032 1.00 1.00 H new ATOM 0 HB VAL A 29 -17.885 -7.641 -2.352 1.00 1.00 H new ATOM 0 HG11 VAL A 29 -16.055 -8.514 -3.730 1.00 1.00 H new ATOM 0 HG12 VAL A 29 -15.491 -7.371 -2.488 1.00 1.00 H new ATOM 0 HG13 VAL A 29 -15.253 -9.120 -2.262 1.00 1.00 H new ATOM 0 HG21 VAL A 29 -18.026 -9.896 -3.363 1.00 1.00 H new ATOM 0 HG22 VAL A 29 -17.379 -10.595 -1.860 1.00 1.00 H new ATOM 0 HG23 VAL A 29 -18.957 -9.774 -1.851 1.00 1.00 H new ATOM 426 N LYS A 30 -15.388 -6.590 -0.204 1.00 1.00 N ATOM 427 CA LYS A 30 -14.878 -5.281 0.043 1.00 1.00 C ATOM 428 C LYS A 30 -14.519 -4.605 -1.241 1.00 1.00 C ATOM 429 O LYS A 30 -13.903 -5.196 -2.144 1.00 1.00 O ATOM 430 CB LYS A 30 -13.690 -5.309 0.967 1.00 1.00 C ATOM 431 CG LYS A 30 -14.011 -5.888 2.310 1.00 1.00 C ATOM 432 CD LYS A 30 -12.818 -5.830 3.211 1.00 1.00 C ATOM 433 CE LYS A 30 -13.116 -6.482 4.548 1.00 1.00 C ATOM 434 NZ LYS A 30 -11.960 -6.434 5.462 1.00 1.00 N ATOM 0 H LYS A 30 -14.682 -7.296 -0.414 1.00 1.00 H new ATOM 0 HA LYS A 30 -15.667 -4.712 0.534 1.00 1.00 H new ATOM 0 HB2 LYS A 30 -12.892 -5.892 0.507 1.00 1.00 H new ATOM 0 HB3 LYS A 30 -13.311 -4.295 1.095 1.00 1.00 H new ATOM 0 HG2 LYS A 30 -14.839 -5.340 2.759 1.00 1.00 H new ATOM 0 HG3 LYS A 30 -14.337 -6.922 2.197 1.00 1.00 H new ATOM 0 HD2 LYS A 30 -11.975 -6.332 2.737 1.00 1.00 H new ATOM 0 HD3 LYS A 30 -12.524 -4.792 3.366 1.00 1.00 H new ATOM 0 HE2 LYS A 30 -13.965 -5.981 5.013 1.00 1.00 H new ATOM 0 HE3 LYS A 30 -13.407 -7.520 4.387 1.00 1.00 H new ATOM 0 HZ1 LYS A 30 -12.210 -6.891 6.362 1.00 1.00 H new ATOM 0 HZ2 LYS A 30 -11.156 -6.934 5.031 1.00 1.00 H new ATOM 0 HZ3 LYS A 30 -11.697 -5.443 5.638 1.00 1.00 H new ATOM 448 N VAL A 31 -14.870 -3.388 -1.306 1.00 1.00 N ATOM 449 CA VAL A 31 -14.680 -2.581 -2.475 1.00 1.00 C ATOM 450 C VAL A 31 -14.261 -1.189 -2.025 1.00 1.00 C ATOM 451 O VAL A 31 -14.496 -0.823 -0.873 1.00 1.00 O ATOM 452 CB VAL A 31 -15.990 -2.541 -3.321 1.00 1.00 C ATOM 453 CG1 VAL A 31 -17.111 -1.809 -2.606 1.00 1.00 C ATOM 454 CG2 VAL A 31 -15.756 -1.978 -4.706 1.00 1.00 C ATOM 0 H VAL A 31 -15.313 -2.892 -0.533 1.00 1.00 H new ATOM 0 HA VAL A 31 -13.901 -3.002 -3.111 1.00 1.00 H new ATOM 0 HB VAL A 31 -16.309 -3.576 -3.444 1.00 1.00 H new ATOM 0 HG11 VAL A 31 -18.002 -1.807 -3.233 1.00 1.00 H new ATOM 0 HG12 VAL A 31 -17.331 -2.312 -1.664 1.00 1.00 H new ATOM 0 HG13 VAL A 31 -16.806 -0.782 -2.406 1.00 1.00 H new ATOM 0 HG21 VAL A 31 -16.695 -1.969 -5.259 1.00 1.00 H new ATOM 0 HG22 VAL A 31 -15.373 -0.961 -4.625 1.00 1.00 H new ATOM 0 HG23 VAL A 31 -15.031 -2.598 -5.233 1.00 1.00 H new ATOM 464 N LEU A 32 -13.622 -0.438 -2.879 1.00 1.00 N ATOM 465 CA LEU A 32 -13.192 0.876 -2.508 1.00 1.00 C ATOM 466 C LEU A 32 -14.226 1.912 -2.799 1.00 1.00 C ATOM 467 O LEU A 32 -15.053 1.755 -3.685 1.00 1.00 O ATOM 468 CB LEU A 32 -11.899 1.278 -3.177 1.00 1.00 C ATOM 469 CG LEU A 32 -10.624 0.665 -2.645 1.00 1.00 C ATOM 470 CD1 LEU A 32 -9.467 1.374 -3.267 1.00 1.00 C ATOM 471 CD2 LEU A 32 -10.554 0.777 -1.127 1.00 1.00 C ATOM 0 H LEU A 32 -13.389 -0.715 -3.833 1.00 1.00 H new ATOM 0 HA LEU A 32 -13.027 0.825 -1.432 1.00 1.00 H new ATOM 0 HB2 LEU A 32 -11.976 1.031 -4.236 1.00 1.00 H new ATOM 0 HB3 LEU A 32 -11.806 2.362 -3.109 1.00 1.00 H new ATOM 0 HG LEU A 32 -10.599 -0.395 -2.898 1.00 1.00 H new ATOM 0 HD11 LEU A 32 -8.536 0.946 -2.896 1.00 1.00 H new ATOM 0 HD12 LEU A 32 -9.511 1.262 -4.350 1.00 1.00 H new ATOM 0 HD13 LEU A 32 -9.508 2.432 -3.010 1.00 1.00 H new ATOM 0 HD21 LEU A 32 -9.627 0.328 -0.771 1.00 1.00 H new ATOM 0 HD22 LEU A 32 -10.583 1.828 -0.838 1.00 1.00 H new ATOM 0 HD23 LEU A 32 -11.403 0.256 -0.684 1.00 1.00 H new ATOM 483 N ASP A 33 -14.131 2.998 -2.068 1.00 1.00 N ATOM 484 CA ASP A 33 -15.019 4.154 -2.227 1.00 1.00 C ATOM 485 C ASP A 33 -14.801 4.763 -3.590 1.00 1.00 C ATOM 486 O ASP A 33 -15.752 5.289 -4.241 1.00 1.00 O ATOM 487 CB ASP A 33 -14.709 5.164 -1.114 1.00 1.00 C ATOM 488 CG ASP A 33 -15.504 6.452 -1.173 1.00 1.00 C ATOM 489 OD1 ASP A 33 -16.722 6.437 -0.921 1.00 1.00 O ATOM 490 OD2 ASP A 33 -14.903 7.506 -1.428 1.00 1.00 O ATOM 0 H ASP A 33 -13.432 3.117 -1.335 1.00 1.00 H new ATOM 0 HA ASP A 33 -16.064 3.854 -2.150 1.00 1.00 H new ATOM 0 HB2 ASP A 33 -14.891 4.687 -0.151 1.00 1.00 H new ATOM 0 HB3 ASP A 33 -13.648 5.409 -1.153 1.00 1.00 H new ATOM 495 N CYS A 34 -13.551 4.625 -4.052 1.00 1.00 N ATOM 496 CA CYS A 34 -13.097 5.168 -5.310 1.00 1.00 C ATOM 497 C CYS A 34 -13.321 4.191 -6.454 1.00 1.00 C ATOM 498 O CYS A 34 -12.984 4.489 -7.597 1.00 1.00 O ATOM 499 CB CYS A 34 -11.616 5.546 -5.214 1.00 1.00 C ATOM 500 SG CYS A 34 -11.058 6.744 -6.445 1.00 1.00 S ATOM 0 H CYS A 34 -12.825 4.122 -3.542 1.00 1.00 H new ATOM 0 HA CYS A 34 -13.683 6.063 -5.521 1.00 1.00 H new ATOM 0 HB2 CYS A 34 -11.423 5.950 -4.220 1.00 1.00 H new ATOM 0 HB3 CYS A 34 -11.017 4.640 -5.312 1.00 1.00 H new ATOM 0 HG CYS A 34 -9.794 6.991 -6.269 1.00 1.00 H new ATOM 506 N ASP A 35 -13.873 3.027 -6.158 1.00 1.00 N ATOM 507 CA ASP A 35 -14.152 2.083 -7.195 1.00 1.00 C ATOM 508 C ASP A 35 -15.353 2.527 -7.959 1.00 1.00 C ATOM 509 O ASP A 35 -16.367 2.971 -7.382 1.00 1.00 O ATOM 510 CB ASP A 35 -14.338 0.652 -6.673 1.00 1.00 C ATOM 511 CG ASP A 35 -13.035 -0.126 -6.562 1.00 1.00 C ATOM 512 OD1 ASP A 35 -12.215 -0.078 -7.503 1.00 1.00 O ATOM 513 OD2 ASP A 35 -12.819 -0.818 -5.539 1.00 1.00 O ATOM 0 H ASP A 35 -14.129 2.727 -5.217 1.00 1.00 H new ATOM 0 HA ASP A 35 -13.283 2.053 -7.852 1.00 1.00 H new ATOM 0 HB2 ASP A 35 -14.814 0.690 -5.693 1.00 1.00 H new ATOM 0 HB3 ASP A 35 -15.017 0.117 -7.337 1.00 1.00 H new ATOM 518 N THR A 36 -15.238 2.438 -9.228 1.00 1.00 N ATOM 519 CA THR A 36 -16.273 2.821 -10.119 1.00 1.00 C ATOM 520 C THR A 36 -17.286 1.697 -10.235 1.00 1.00 C ATOM 521 O THR A 36 -17.075 0.624 -9.682 1.00 1.00 O ATOM 522 CB THR A 36 -15.692 3.179 -11.490 1.00 1.00 C ATOM 523 OG1 THR A 36 -15.031 2.034 -12.046 1.00 1.00 O ATOM 524 CG2 THR A 36 -14.688 4.308 -11.345 1.00 1.00 C ATOM 0 H THR A 36 -14.400 2.088 -9.693 1.00 1.00 H new ATOM 0 HA THR A 36 -16.776 3.706 -9.728 1.00 1.00 H new ATOM 0 HB THR A 36 -16.502 3.493 -12.148 1.00 1.00 H new ATOM 0 HG1 THR A 36 -14.404 2.324 -12.741 1.00 1.00 H new ATOM 0 HG21 THR A 36 -14.278 4.558 -12.323 1.00 1.00 H new ATOM 0 HG22 THR A 36 -15.183 5.183 -10.924 1.00 1.00 H new ATOM 0 HG23 THR A 36 -13.881 3.994 -10.683 1.00 1.00 H new ATOM 532 N ILE A 37 -18.379 1.926 -10.945 1.00 1.00 N ATOM 533 CA ILE A 37 -19.414 0.920 -11.063 1.00 1.00 C ATOM 534 C ILE A 37 -18.862 -0.326 -11.705 1.00 1.00 C ATOM 535 O ILE A 37 -19.119 -1.436 -11.210 1.00 1.00 O ATOM 536 CB ILE A 37 -20.673 1.418 -11.838 1.00 1.00 C ATOM 537 CG1 ILE A 37 -21.175 2.727 -11.228 1.00 1.00 C ATOM 538 CG2 ILE A 37 -21.790 0.355 -11.801 1.00 1.00 C ATOM 539 CD1 ILE A 37 -21.443 2.649 -9.749 1.00 1.00 C ATOM 0 H ILE A 37 -18.569 2.795 -11.444 1.00 1.00 H new ATOM 0 HA ILE A 37 -19.744 0.695 -10.049 1.00 1.00 H new ATOM 0 HB ILE A 37 -20.395 1.590 -12.878 1.00 1.00 H new ATOM 0 HG12 ILE A 37 -20.438 3.508 -11.413 1.00 1.00 H new ATOM 0 HG13 ILE A 37 -22.091 3.026 -11.738 1.00 1.00 H new ATOM 0 HG21 ILE A 37 -22.659 0.722 -12.347 1.00 1.00 H new ATOM 0 HG22 ILE A 37 -21.432 -0.565 -12.264 1.00 1.00 H new ATOM 0 HG23 ILE A 37 -22.069 0.156 -10.766 1.00 1.00 H new ATOM 0 HD11 ILE A 37 -21.796 3.616 -9.392 1.00 1.00 H new ATOM 0 HD12 ILE A 37 -22.203 1.892 -9.556 1.00 1.00 H new ATOM 0 HD13 ILE A 37 -20.524 2.382 -9.226 1.00 1.00 H new ATOM 551 N SER A 38 -18.088 -0.146 -12.764 1.00 1.00 N ATOM 552 CA SER A 38 -17.455 -1.245 -13.456 1.00 1.00 C ATOM 553 C SER A 38 -16.489 -1.969 -12.517 1.00 1.00 C ATOM 554 O SER A 38 -16.559 -3.188 -12.363 1.00 1.00 O ATOM 555 CB SER A 38 -16.669 -0.669 -14.618 1.00 1.00 C ATOM 556 OG SER A 38 -17.324 0.485 -15.118 1.00 1.00 O ATOM 0 H SER A 38 -17.884 0.770 -13.164 1.00 1.00 H new ATOM 0 HA SER A 38 -18.209 -1.952 -13.802 1.00 1.00 H new ATOM 0 HB2 SER A 38 -15.660 -0.414 -14.295 1.00 1.00 H new ATOM 0 HB3 SER A 38 -16.572 -1.414 -15.408 1.00 1.00 H new ATOM 0 HG SER A 38 -18.274 0.287 -15.258 1.00 1.00 H new ATOM 562 N GLN A 39 -15.657 -1.186 -11.814 1.00 1.00 N ATOM 563 CA GLN A 39 -14.632 -1.752 -10.929 1.00 1.00 C ATOM 564 C GLN A 39 -15.267 -2.486 -9.776 1.00 1.00 C ATOM 565 O GLN A 39 -14.843 -3.574 -9.409 1.00 1.00 O ATOM 566 CB GLN A 39 -13.710 -0.661 -10.414 1.00 1.00 C ATOM 567 CG GLN A 39 -12.783 -0.101 -11.469 1.00 1.00 C ATOM 568 CD GLN A 39 -12.094 1.175 -11.035 1.00 1.00 C ATOM 569 OE1 GLN A 39 -11.808 2.029 -11.856 1.00 1.00 O ATOM 570 NE2 GLN A 39 -11.835 1.323 -9.761 1.00 1.00 N ATOM 0 H GLN A 39 -15.674 -0.167 -11.841 1.00 1.00 H new ATOM 0 HA GLN A 39 -14.041 -2.463 -11.507 1.00 1.00 H new ATOM 0 HB2 GLN A 39 -14.313 0.150 -10.006 1.00 1.00 H new ATOM 0 HB3 GLN A 39 -13.114 -1.059 -9.593 1.00 1.00 H new ATOM 0 HG2 GLN A 39 -12.029 -0.848 -11.716 1.00 1.00 H new ATOM 0 HG3 GLN A 39 -13.351 0.091 -12.379 1.00 1.00 H new ATOM 0 HE21 GLN A 39 -12.088 0.588 -9.100 1.00 1.00 H new ATOM 0 HE22 GLN A 39 -11.380 2.173 -9.428 1.00 1.00 H new ATOM 579 N ALA A 40 -16.311 -1.904 -9.236 1.00 1.00 N ATOM 580 CA ALA A 40 -17.027 -2.488 -8.133 1.00 1.00 C ATOM 581 C ALA A 40 -17.659 -3.794 -8.522 1.00 1.00 C ATOM 582 O ALA A 40 -17.705 -4.708 -7.731 1.00 1.00 O ATOM 583 CB ALA A 40 -18.048 -1.529 -7.546 1.00 1.00 C ATOM 0 H ALA A 40 -16.687 -1.010 -9.552 1.00 1.00 H new ATOM 0 HA ALA A 40 -16.297 -2.694 -7.350 1.00 1.00 H new ATOM 0 HB1 ALA A 40 -18.565 -2.011 -6.716 1.00 1.00 H new ATOM 0 HB2 ALA A 40 -17.541 -0.633 -7.187 1.00 1.00 H new ATOM 0 HB3 ALA A 40 -18.771 -1.253 -8.313 1.00 1.00 H new ATOM 589 N LYS A 41 -18.133 -3.890 -9.758 1.00 1.00 N ATOM 590 CA LYS A 41 -18.717 -5.140 -10.224 1.00 1.00 C ATOM 591 C LYS A 41 -17.651 -6.209 -10.216 1.00 1.00 C ATOM 592 O LYS A 41 -17.906 -7.352 -9.825 1.00 1.00 O ATOM 593 CB LYS A 41 -19.332 -5.015 -11.634 1.00 1.00 C ATOM 594 CG LYS A 41 -20.513 -4.042 -11.767 1.00 1.00 C ATOM 595 CD LYS A 41 -21.713 -4.410 -10.882 1.00 1.00 C ATOM 596 CE LYS A 41 -21.636 -3.751 -9.493 1.00 1.00 C ATOM 597 NZ LYS A 41 -21.352 -2.289 -9.570 1.00 1.00 N ATOM 0 H LYS A 41 -18.126 -3.134 -10.443 1.00 1.00 H new ATOM 0 HA LYS A 41 -19.530 -5.405 -9.549 1.00 1.00 H new ATOM 0 HB2 LYS A 41 -18.549 -4.702 -12.324 1.00 1.00 H new ATOM 0 HB3 LYS A 41 -19.663 -6.003 -11.954 1.00 1.00 H new ATOM 0 HG2 LYS A 41 -20.177 -3.038 -11.510 1.00 1.00 H new ATOM 0 HG3 LYS A 41 -20.835 -4.014 -12.808 1.00 1.00 H new ATOM 0 HD2 LYS A 41 -22.635 -4.104 -11.377 1.00 1.00 H new ATOM 0 HD3 LYS A 41 -21.758 -5.493 -10.766 1.00 1.00 H new ATOM 0 HE2 LYS A 41 -22.578 -3.908 -8.967 1.00 1.00 H new ATOM 0 HE3 LYS A 41 -20.858 -4.239 -8.906 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 -21.558 -1.846 -8.652 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 -20.350 -2.142 -9.808 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 -21.949 -1.858 -10.304 1.00 1.00 H new ATOM 611 N GLU A 42 -16.443 -5.804 -10.587 1.00 1.00 N ATOM 612 CA GLU A 42 -15.334 -6.715 -10.696 1.00 1.00 C ATOM 613 C GLU A 42 -14.958 -7.270 -9.339 1.00 1.00 C ATOM 614 O GLU A 42 -14.780 -8.454 -9.200 1.00 1.00 O ATOM 615 CB GLU A 42 -14.129 -6.044 -11.327 1.00 1.00 C ATOM 616 CG GLU A 42 -14.378 -5.492 -12.711 1.00 1.00 C ATOM 617 CD GLU A 42 -13.098 -5.084 -13.371 1.00 1.00 C ATOM 618 OE1 GLU A 42 -12.294 -5.979 -13.669 1.00 1.00 O ATOM 619 OE2 GLU A 42 -12.863 -3.872 -13.580 1.00 1.00 O ATOM 0 H GLU A 42 -16.215 -4.837 -10.818 1.00 1.00 H new ATOM 0 HA GLU A 42 -15.649 -7.536 -11.340 1.00 1.00 H new ATOM 0 HB2 GLU A 42 -13.799 -5.232 -10.679 1.00 1.00 H new ATOM 0 HB3 GLU A 42 -13.312 -6.764 -11.377 1.00 1.00 H new ATOM 0 HG2 GLU A 42 -14.880 -6.244 -13.320 1.00 1.00 H new ATOM 0 HG3 GLU A 42 -15.047 -4.634 -12.648 1.00 1.00 H new ATOM 626 N LYS A 43 -14.882 -6.405 -8.335 1.00 1.00 N ATOM 627 CA LYS A 43 -14.525 -6.832 -6.981 1.00 1.00 C ATOM 628 C LYS A 43 -15.533 -7.812 -6.413 1.00 1.00 C ATOM 629 O LYS A 43 -15.155 -8.810 -5.797 1.00 1.00 O ATOM 630 CB LYS A 43 -14.362 -5.638 -6.020 1.00 1.00 C ATOM 631 CG LYS A 43 -12.984 -4.978 -6.029 1.00 1.00 C ATOM 632 CD LYS A 43 -12.777 -4.051 -7.208 1.00 1.00 C ATOM 633 CE LYS A 43 -11.352 -3.508 -7.249 1.00 1.00 C ATOM 634 NZ LYS A 43 -11.025 -2.705 -6.048 1.00 1.00 N ATOM 0 H LYS A 43 -15.062 -5.405 -8.429 1.00 1.00 H new ATOM 0 HA LYS A 43 -13.562 -7.336 -7.069 1.00 1.00 H new ATOM 0 HB2 LYS A 43 -15.109 -4.885 -6.272 1.00 1.00 H new ATOM 0 HB3 LYS A 43 -14.579 -5.976 -5.007 1.00 1.00 H new ATOM 0 HG2 LYS A 43 -12.851 -4.416 -5.105 1.00 1.00 H new ATOM 0 HG3 LYS A 43 -12.217 -5.752 -6.044 1.00 1.00 H new ATOM 0 HD2 LYS A 43 -12.991 -4.585 -8.134 1.00 1.00 H new ATOM 0 HD3 LYS A 43 -13.482 -3.222 -7.148 1.00 1.00 H new ATOM 0 HE2 LYS A 43 -10.651 -4.338 -7.331 1.00 1.00 H new ATOM 0 HE3 LYS A 43 -11.224 -2.894 -8.140 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 -10.256 -2.042 -6.273 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 -11.866 -2.172 -5.748 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 -10.723 -3.337 -5.279 1.00 1.00 H new ATOM 648 N MET A 44 -16.805 -7.543 -6.643 1.00 1.00 N ATOM 649 CA MET A 44 -17.861 -8.367 -6.081 1.00 1.00 C ATOM 650 C MET A 44 -17.817 -9.773 -6.671 1.00 1.00 C ATOM 651 O MET A 44 -17.967 -10.767 -5.957 1.00 1.00 O ATOM 652 CB MET A 44 -19.251 -7.763 -6.344 1.00 1.00 C ATOM 653 CG MET A 44 -19.415 -6.302 -5.947 1.00 1.00 C ATOM 654 SD MET A 44 -18.817 -5.914 -4.302 1.00 1.00 S ATOM 655 CE MET A 44 -19.880 -6.922 -3.306 1.00 1.00 C ATOM 0 H MET A 44 -17.132 -6.763 -7.213 1.00 1.00 H new ATOM 0 HA MET A 44 -17.693 -8.411 -5.005 1.00 1.00 H new ATOM 0 HB2 MET A 44 -19.476 -7.861 -7.406 1.00 1.00 H new ATOM 0 HB3 MET A 44 -19.993 -8.353 -5.806 1.00 1.00 H new ATOM 0 HG2 MET A 44 -18.887 -5.680 -6.669 1.00 1.00 H new ATOM 0 HG3 MET A 44 -20.470 -6.037 -6.009 1.00 1.00 H new ATOM 0 HE1 MET A 44 -19.714 -6.696 -2.253 1.00 1.00 H new ATOM 0 HE2 MET A 44 -20.920 -6.717 -3.561 1.00 1.00 H new ATOM 0 HE3 MET A 44 -19.661 -7.974 -3.490 1.00 1.00 H new ATOM 665 N LEU A 45 -17.604 -9.854 -7.977 1.00 1.00 N ATOM 666 CA LEU A 45 -17.542 -11.144 -8.649 1.00 1.00 C ATOM 667 C LEU A 45 -16.218 -11.853 -8.394 1.00 1.00 C ATOM 668 O LEU A 45 -16.170 -13.059 -8.307 1.00 1.00 O ATOM 669 CB LEU A 45 -17.866 -11.034 -10.172 1.00 1.00 C ATOM 670 CG LEU A 45 -17.001 -10.103 -11.048 1.00 1.00 C ATOM 671 CD1 LEU A 45 -15.727 -10.797 -11.519 1.00 1.00 C ATOM 672 CD2 LEU A 45 -17.805 -9.606 -12.243 1.00 1.00 C ATOM 0 H LEU A 45 -17.472 -9.048 -8.588 1.00 1.00 H new ATOM 0 HA LEU A 45 -18.324 -11.764 -8.211 1.00 1.00 H new ATOM 0 HB2 LEU A 45 -17.806 -12.036 -10.596 1.00 1.00 H new ATOM 0 HB3 LEU A 45 -18.902 -10.709 -10.267 1.00 1.00 H new ATOM 0 HG LEU A 45 -16.707 -9.251 -10.436 1.00 1.00 H new ATOM 0 HD11 LEU A 45 -15.144 -10.110 -12.133 1.00 1.00 H new ATOM 0 HD12 LEU A 45 -15.137 -11.101 -10.654 1.00 1.00 H new ATOM 0 HD13 LEU A 45 -15.988 -11.677 -12.107 1.00 1.00 H new ATOM 0 HD21 LEU A 45 -17.183 -8.950 -12.853 1.00 1.00 H new ATOM 0 HD22 LEU A 45 -18.131 -10.457 -12.841 1.00 1.00 H new ATOM 0 HD23 LEU A 45 -18.677 -9.055 -11.891 1.00 1.00 H new ATOM 684 N ASP A 46 -15.184 -11.068 -8.197 1.00 1.00 N ATOM 685 CA ASP A 46 -13.773 -11.503 -8.076 1.00 1.00 C ATOM 686 C ASP A 46 -13.560 -12.529 -6.978 1.00 1.00 C ATOM 687 O ASP A 46 -12.664 -13.362 -7.065 1.00 1.00 O ATOM 688 CB ASP A 46 -12.881 -10.275 -7.830 1.00 1.00 C ATOM 689 CG ASP A 46 -11.426 -10.586 -7.617 1.00 1.00 C ATOM 690 OD1 ASP A 46 -10.698 -10.854 -8.598 1.00 1.00 O ATOM 691 OD2 ASP A 46 -10.972 -10.530 -6.461 1.00 1.00 O ATOM 0 H ASP A 46 -15.287 -10.057 -8.110 1.00 1.00 H new ATOM 0 HA ASP A 46 -13.502 -11.990 -9.013 1.00 1.00 H new ATOM 0 HB2 ASP A 46 -12.973 -9.600 -8.681 1.00 1.00 H new ATOM 0 HB3 ASP A 46 -13.255 -9.740 -6.957 1.00 1.00 H new ATOM 696 N GLN A 47 -14.390 -12.478 -5.957 1.00 1.00 N ATOM 697 CA GLN A 47 -14.247 -13.357 -4.811 1.00 1.00 C ATOM 698 C GLN A 47 -14.500 -14.787 -5.198 1.00 1.00 C ATOM 699 O GLN A 47 -13.876 -15.711 -4.668 1.00 1.00 O ATOM 700 CB GLN A 47 -15.231 -12.973 -3.722 1.00 1.00 C ATOM 701 CG GLN A 47 -15.030 -11.594 -3.170 1.00 1.00 C ATOM 702 CD GLN A 47 -13.708 -11.416 -2.465 1.00 1.00 C ATOM 703 OE1 GLN A 47 -13.165 -10.236 -2.547 1.00 1.00 O flip ATOM 704 NE2 GLN A 47 -13.184 -12.343 -1.843 1.00 1.00 N flip ATOM 0 H GLN A 47 -15.177 -11.832 -5.896 1.00 1.00 H new ATOM 0 HA GLN A 47 -13.226 -13.254 -4.444 1.00 1.00 H new ATOM 0 HB2 GLN A 47 -16.243 -13.049 -4.119 1.00 1.00 H new ATOM 0 HB3 GLN A 47 -15.153 -13.693 -2.907 1.00 1.00 H new ATOM 0 HG2 GLN A 47 -15.099 -10.872 -3.983 1.00 1.00 H new ATOM 0 HG3 GLN A 47 -15.838 -11.368 -2.474 1.00 1.00 H new ATOM 0 HE21 GLN A 47 -13.642 -13.253 -1.803 1.00 1.00 H new ATOM 0 HE22 GLN A 47 -12.292 -12.199 -1.369 1.00 1.00 H new ATOM 713 N LEU A 48 -15.412 -14.966 -6.117 1.00 1.00 N ATOM 714 CA LEU A 48 -15.848 -16.272 -6.492 1.00 1.00 C ATOM 715 C LEU A 48 -15.511 -16.586 -7.953 1.00 1.00 C ATOM 716 O LEU A 48 -15.197 -17.718 -8.302 1.00 1.00 O ATOM 717 CB LEU A 48 -17.338 -16.393 -6.197 1.00 1.00 C ATOM 718 CG LEU A 48 -18.275 -15.452 -6.956 1.00 1.00 C ATOM 719 CD1 LEU A 48 -19.570 -16.155 -7.240 1.00 1.00 C ATOM 720 CD2 LEU A 48 -18.548 -14.187 -6.147 1.00 1.00 C ATOM 0 H LEU A 48 -15.869 -14.207 -6.622 1.00 1.00 H new ATOM 0 HA LEU A 48 -15.313 -17.018 -5.904 1.00 1.00 H new ATOM 0 HB2 LEU A 48 -17.643 -17.418 -6.409 1.00 1.00 H new ATOM 0 HB3 LEU A 48 -17.486 -16.230 -5.129 1.00 1.00 H new ATOM 0 HG LEU A 48 -17.795 -15.167 -7.892 1.00 1.00 H new ATOM 0 HD11 LEU A 48 -20.237 -15.484 -7.781 1.00 1.00 H new ATOM 0 HD12 LEU A 48 -19.378 -17.041 -7.845 1.00 1.00 H new ATOM 0 HD13 LEU A 48 -20.037 -16.451 -6.301 1.00 1.00 H new ATOM 0 HD21 LEU A 48 -19.217 -13.534 -6.708 1.00 1.00 H new ATOM 0 HD22 LEU A 48 -19.014 -14.455 -5.199 1.00 1.00 H new ATOM 0 HD23 LEU A 48 -17.609 -13.667 -5.956 1.00 1.00 H new ATOM 732 N TYR A 49 -15.526 -15.565 -8.782 1.00 1.00 N ATOM 733 CA TYR A 49 -15.196 -15.679 -10.190 1.00 1.00 C ATOM 734 C TYR A 49 -13.712 -15.405 -10.388 1.00 1.00 C ATOM 735 O TYR A 49 -13.287 -14.948 -11.443 1.00 1.00 O ATOM 736 CB TYR A 49 -16.023 -14.695 -11.043 1.00 1.00 C ATOM 737 CG TYR A 49 -17.507 -15.004 -11.145 1.00 1.00 C ATOM 738 CD1 TYR A 49 -17.990 -15.881 -12.106 1.00 1.00 C ATOM 739 CD2 TYR A 49 -18.420 -14.407 -10.294 1.00 1.00 C ATOM 740 CE1 TYR A 49 -19.344 -16.152 -12.208 1.00 1.00 C ATOM 741 CE2 TYR A 49 -19.770 -14.669 -10.389 1.00 1.00 C ATOM 742 CZ TYR A 49 -20.228 -15.539 -11.342 1.00 1.00 C ATOM 743 OH TYR A 49 -21.581 -15.794 -11.438 1.00 1.00 O ATOM 0 H TYR A 49 -15.771 -14.617 -8.495 1.00 1.00 H new ATOM 0 HA TYR A 49 -15.435 -16.692 -10.515 1.00 1.00 H new ATOM 0 HB2 TYR A 49 -15.906 -13.694 -10.627 1.00 1.00 H new ATOM 0 HB3 TYR A 49 -15.604 -14.673 -12.049 1.00 1.00 H new ATOM 0 HD1 TYR A 49 -17.299 -16.359 -12.785 1.00 1.00 H new ATOM 0 HD2 TYR A 49 -18.067 -13.721 -9.539 1.00 1.00 H new ATOM 0 HE1 TYR A 49 -19.706 -16.838 -12.959 1.00 1.00 H new ATOM 0 HE2 TYR A 49 -20.464 -14.190 -9.714 1.00 1.00 H new ATOM 0 HH TYR A 49 -22.060 -15.282 -10.753 1.00 1.00 H new ATOM 753 N LYS A 50 -12.935 -15.638 -9.344 1.00 1.00 N ATOM 754 CA LYS A 50 -11.496 -15.510 -9.425 1.00 1.00 C ATOM 755 C LYS A 50 -10.974 -16.458 -10.504 1.00 1.00 C ATOM 756 O LYS A 50 -11.127 -17.682 -10.405 1.00 1.00 O ATOM 757 CB LYS A 50 -10.859 -15.849 -8.073 1.00 1.00 C ATOM 758 CG LYS A 50 -9.341 -15.714 -8.039 1.00 1.00 C ATOM 759 CD LYS A 50 -8.896 -14.267 -8.187 1.00 1.00 C ATOM 760 CE LYS A 50 -9.205 -13.457 -6.940 1.00 1.00 C ATOM 761 NZ LYS A 50 -8.753 -12.060 -7.078 1.00 1.00 N ATOM 0 H LYS A 50 -13.282 -15.918 -8.427 1.00 1.00 H new ATOM 0 HA LYS A 50 -11.234 -14.483 -9.681 1.00 1.00 H new ATOM 0 HB2 LYS A 50 -11.286 -15.198 -7.311 1.00 1.00 H new ATOM 0 HB3 LYS A 50 -11.126 -16.871 -7.805 1.00 1.00 H new ATOM 0 HG2 LYS A 50 -8.962 -16.116 -7.099 1.00 1.00 H new ATOM 0 HG3 LYS A 50 -8.906 -16.311 -8.840 1.00 1.00 H new ATOM 0 HD2 LYS A 50 -7.825 -14.234 -8.387 1.00 1.00 H new ATOM 0 HD3 LYS A 50 -9.395 -13.818 -9.046 1.00 1.00 H new ATOM 0 HE2 LYS A 50 -10.278 -13.476 -6.749 1.00 1.00 H new ATOM 0 HE3 LYS A 50 -8.719 -13.914 -6.078 1.00 1.00 H new ATOM 0 HZ1 LYS A 50 -9.039 -11.518 -6.238 1.00 1.00 H new ATOM 0 HZ2 LYS A 50 -7.717 -12.038 -7.168 1.00 1.00 H new ATOM 0 HZ3 LYS A 50 -9.184 -11.638 -7.925 1.00 1.00 H new ATOM 775 N GLY A 51 -10.368 -15.903 -11.511 1.00 1.00 N ATOM 776 CA GLY A 51 -9.923 -16.694 -12.627 1.00 1.00 C ATOM 777 C GLY A 51 -10.663 -16.321 -13.881 1.00 1.00 C ATOM 778 O GLY A 51 -10.374 -16.831 -14.963 1.00 1.00 O ATOM 0 H GLY A 51 -10.169 -14.905 -11.586 1.00 1.00 H new ATOM 0 HA2 GLY A 51 -8.853 -16.550 -12.776 1.00 1.00 H new ATOM 0 HA3 GLY A 51 -10.075 -17.752 -12.411 1.00 1.00 H new ATOM 782 N VAL A 52 -11.642 -15.457 -13.737 1.00 1.00 N ATOM 783 CA VAL A 52 -12.379 -14.944 -14.860 1.00 1.00 C ATOM 784 C VAL A 52 -11.735 -13.636 -15.320 1.00 1.00 C ATOM 785 O VAL A 52 -11.700 -12.658 -14.570 1.00 1.00 O ATOM 786 CB VAL A 52 -13.881 -14.712 -14.508 1.00 1.00 C ATOM 787 CG1 VAL A 52 -14.616 -14.000 -15.632 1.00 1.00 C ATOM 788 CG2 VAL A 52 -14.559 -16.031 -14.216 1.00 1.00 C ATOM 0 H VAL A 52 -11.947 -15.092 -12.835 1.00 1.00 H new ATOM 0 HA VAL A 52 -12.346 -15.681 -15.663 1.00 1.00 H new ATOM 0 HB VAL A 52 -13.916 -14.078 -13.622 1.00 1.00 H new ATOM 0 HG11 VAL A 52 -15.659 -13.856 -15.351 1.00 1.00 H new ATOM 0 HG12 VAL A 52 -14.152 -13.031 -15.813 1.00 1.00 H new ATOM 0 HG13 VAL A 52 -14.565 -14.602 -16.539 1.00 1.00 H new ATOM 0 HG21 VAL A 52 -15.607 -15.855 -13.972 1.00 1.00 H new ATOM 0 HG22 VAL A 52 -14.494 -16.675 -15.093 1.00 1.00 H new ATOM 0 HG23 VAL A 52 -14.066 -16.515 -13.373 1.00 1.00 H new ATOM 798 N PRO A 53 -11.203 -13.608 -16.546 1.00 1.00 N ATOM 799 CA PRO A 53 -10.559 -12.418 -17.112 1.00 1.00 C ATOM 800 C PRO A 53 -11.577 -11.315 -17.414 1.00 1.00 C ATOM 801 O PRO A 53 -12.782 -11.574 -17.487 1.00 1.00 O ATOM 802 CB PRO A 53 -9.946 -12.950 -18.400 1.00 1.00 C ATOM 803 CG PRO A 53 -10.853 -14.049 -18.788 1.00 1.00 C ATOM 804 CD PRO A 53 -11.187 -14.736 -17.507 1.00 1.00 C ATOM 0 HA PRO A 53 -9.836 -11.964 -16.434 1.00 1.00 H new ATOM 0 HB2 PRO A 53 -9.898 -12.179 -19.169 1.00 1.00 H new ATOM 0 HB3 PRO A 53 -8.928 -13.307 -18.242 1.00 1.00 H new ATOM 0 HG2 PRO A 53 -11.749 -13.668 -19.278 1.00 1.00 H new ATOM 0 HG3 PRO A 53 -10.371 -14.731 -19.489 1.00 1.00 H new ATOM 0 HD2 PRO A 53 -12.150 -15.244 -17.556 1.00 1.00 H new ATOM 0 HD3 PRO A 53 -10.444 -15.488 -17.241 1.00 1.00 H new ATOM 812 N LEU A 54 -11.092 -10.103 -17.617 1.00 1.00 N ATOM 813 CA LEU A 54 -11.946 -8.934 -17.852 1.00 1.00 C ATOM 814 C LEU A 54 -12.786 -9.139 -19.106 1.00 1.00 C ATOM 815 O LEU A 54 -13.967 -8.828 -19.123 1.00 1.00 O ATOM 816 CB LEU A 54 -11.084 -7.645 -17.956 1.00 1.00 C ATOM 817 CG LEU A 54 -11.819 -6.274 -17.966 1.00 1.00 C ATOM 818 CD1 LEU A 54 -12.368 -5.927 -19.343 1.00 1.00 C ATOM 819 CD2 LEU A 54 -12.928 -6.239 -16.920 1.00 1.00 C ATOM 0 H LEU A 54 -10.094 -9.893 -17.625 1.00 1.00 H new ATOM 0 HA LEU A 54 -12.624 -8.816 -17.007 1.00 1.00 H new ATOM 0 HB2 LEU A 54 -10.384 -7.643 -17.120 1.00 1.00 H new ATOM 0 HB3 LEU A 54 -10.491 -7.713 -18.868 1.00 1.00 H new ATOM 0 HG LEU A 54 -11.079 -5.516 -17.711 1.00 1.00 H new ATOM 0 HD11 LEU A 54 -12.873 -4.962 -19.301 1.00 1.00 H new ATOM 0 HD12 LEU A 54 -11.548 -5.877 -20.060 1.00 1.00 H new ATOM 0 HD13 LEU A 54 -13.077 -6.694 -19.656 1.00 1.00 H new ATOM 0 HD21 LEU A 54 -13.425 -5.269 -16.949 1.00 1.00 H new ATOM 0 HD22 LEU A 54 -13.653 -7.025 -17.132 1.00 1.00 H new ATOM 0 HD23 LEU A 54 -12.500 -6.398 -15.930 1.00 1.00 H new ATOM 831 N THR A 55 -12.173 -9.699 -20.128 1.00 1.00 N ATOM 832 CA THR A 55 -12.847 -9.964 -21.385 1.00 1.00 C ATOM 833 C THR A 55 -14.007 -11.000 -21.213 1.00 1.00 C ATOM 834 O THR A 55 -14.892 -11.107 -22.067 1.00 1.00 O ATOM 835 CB THR A 55 -11.826 -10.427 -22.483 1.00 1.00 C ATOM 836 OG1 THR A 55 -12.397 -10.331 -23.798 1.00 1.00 O ATOM 837 CG2 THR A 55 -11.347 -11.853 -22.236 1.00 1.00 C ATOM 0 H THR A 55 -11.194 -9.984 -20.112 1.00 1.00 H new ATOM 0 HA THR A 55 -13.298 -9.030 -21.719 1.00 1.00 H new ATOM 0 HB THR A 55 -10.969 -9.757 -22.421 1.00 1.00 H new ATOM 0 HG1 THR A 55 -11.739 -10.624 -24.463 1.00 1.00 H new ATOM 0 HG21 THR A 55 -10.641 -12.140 -23.016 1.00 1.00 H new ATOM 0 HG22 THR A 55 -10.857 -11.909 -21.264 1.00 1.00 H new ATOM 0 HG23 THR A 55 -12.200 -12.531 -22.251 1.00 1.00 H new ATOM 845 N GLN A 56 -13.991 -11.755 -20.116 1.00 1.00 N ATOM 846 CA GLN A 56 -15.049 -12.717 -19.841 1.00 1.00 C ATOM 847 C GLN A 56 -16.057 -12.119 -18.856 1.00 1.00 C ATOM 848 O GLN A 56 -17.224 -12.514 -18.825 1.00 1.00 O ATOM 849 CB GLN A 56 -14.466 -14.034 -19.306 1.00 1.00 C ATOM 850 CG GLN A 56 -15.498 -15.136 -19.064 1.00 1.00 C ATOM 851 CD GLN A 56 -16.206 -15.557 -20.333 1.00 1.00 C ATOM 852 OE1 GLN A 56 -17.235 -14.992 -20.709 1.00 1.00 O ATOM 853 NE2 GLN A 56 -15.669 -16.533 -21.002 1.00 1.00 N ATOM 0 H GLN A 56 -13.258 -11.717 -19.407 1.00 1.00 H new ATOM 0 HA GLN A 56 -15.568 -12.942 -20.772 1.00 1.00 H new ATOM 0 HB2 GLN A 56 -13.722 -14.400 -20.013 1.00 1.00 H new ATOM 0 HB3 GLN A 56 -13.944 -13.832 -18.371 1.00 1.00 H new ATOM 0 HG2 GLN A 56 -15.003 -16.002 -18.624 1.00 1.00 H new ATOM 0 HG3 GLN A 56 -16.234 -14.787 -18.340 1.00 1.00 H new ATOM 0 HE21 GLN A 56 -14.817 -16.977 -20.660 1.00 1.00 H new ATOM 0 HE22 GLN A 56 -16.100 -16.855 -21.869 1.00 1.00 H new ATOM 862 N ARG A 57 -15.597 -11.163 -18.055 1.00 1.00 N ATOM 863 CA ARG A 57 -16.457 -10.462 -17.107 1.00 1.00 C ATOM 864 C ARG A 57 -17.491 -9.645 -17.872 1.00 1.00 C ATOM 865 O ARG A 57 -17.173 -9.089 -18.926 1.00 1.00 O ATOM 866 CB ARG A 57 -15.626 -9.544 -16.200 1.00 1.00 C ATOM 867 CG ARG A 57 -14.671 -10.297 -15.308 1.00 1.00 C ATOM 868 CD ARG A 57 -13.722 -9.382 -14.561 1.00 1.00 C ATOM 869 NE ARG A 57 -12.631 -10.157 -13.970 1.00 1.00 N ATOM 870 CZ ARG A 57 -11.806 -9.726 -13.003 1.00 1.00 C ATOM 871 NH1 ARG A 57 -11.787 -8.440 -12.651 1.00 1.00 N ATOM 872 NH2 ARG A 57 -10.943 -10.576 -12.446 1.00 1.00 N ATOM 0 H ARG A 57 -14.625 -10.854 -18.044 1.00 1.00 H new ATOM 0 HA ARG A 57 -16.964 -11.195 -16.479 1.00 1.00 H new ATOM 0 HB2 ARG A 57 -15.062 -8.847 -16.819 1.00 1.00 H new ATOM 0 HB3 ARG A 57 -16.298 -8.949 -15.582 1.00 1.00 H new ATOM 0 HG2 ARG A 57 -15.240 -10.887 -14.590 1.00 1.00 H new ATOM 0 HG3 ARG A 57 -14.094 -10.998 -15.911 1.00 1.00 H new ATOM 0 HD2 ARG A 57 -13.318 -8.632 -15.241 1.00 1.00 H new ATOM 0 HD3 ARG A 57 -14.262 -8.846 -13.780 1.00 1.00 H new ATOM 0 HE ARG A 57 -12.485 -11.103 -14.322 1.00 1.00 H new ATOM 0 HH11 ARG A 57 -12.403 -7.774 -13.118 1.00 1.00 H new ATOM 0 HH12 ARG A 57 -11.157 -8.122 -11.915 1.00 1.00 H new ATOM 0 HH21 ARG A 57 -10.912 -11.548 -12.755 1.00 1.00 H new ATOM 0 HH22 ARG A 57 -10.313 -10.255 -11.711 1.00 1.00 H new ATOM 886 N PRO A 58 -18.731 -9.558 -17.366 1.00 1.00 N ATOM 887 CA PRO A 58 -19.807 -8.848 -18.055 1.00 1.00 C ATOM 888 C PRO A 58 -19.498 -7.374 -18.218 1.00 1.00 C ATOM 889 O PRO A 58 -18.853 -6.760 -17.356 1.00 1.00 O ATOM 890 CB PRO A 58 -21.025 -9.021 -17.132 1.00 1.00 C ATOM 891 CG PRO A 58 -20.669 -10.135 -16.216 1.00 1.00 C ATOM 892 CD PRO A 58 -19.180 -10.110 -16.078 1.00 1.00 C ATOM 0 HA PRO A 58 -19.962 -9.239 -19.061 1.00 1.00 H new ATOM 0 HB2 PRO A 58 -21.231 -8.106 -16.577 1.00 1.00 H new ATOM 0 HB3 PRO A 58 -21.922 -9.255 -17.705 1.00 1.00 H new ATOM 0 HG2 PRO A 58 -21.151 -10.009 -15.246 1.00 1.00 H new ATOM 0 HG3 PRO A 58 -21.006 -11.091 -16.618 1.00 1.00 H new ATOM 0 HD2 PRO A 58 -18.864 -9.487 -15.241 1.00 1.00 H new ATOM 0 HD3 PRO A 58 -18.775 -11.107 -15.904 1.00 1.00 H new ATOM 900 N ASP A 59 -19.919 -6.824 -19.317 1.00 1.00 N ATOM 901 CA ASP A 59 -19.766 -5.415 -19.562 1.00 1.00 C ATOM 902 C ASP A 59 -20.786 -4.676 -18.721 1.00 1.00 C ATOM 903 O ASP A 59 -21.971 -4.968 -18.790 1.00 1.00 O ATOM 904 CB ASP A 59 -19.960 -5.097 -21.043 1.00 1.00 C ATOM 905 CG ASP A 59 -20.026 -3.618 -21.313 1.00 1.00 C ATOM 906 OD1 ASP A 59 -21.123 -3.061 -21.287 1.00 1.00 O ATOM 907 OD2 ASP A 59 -18.969 -2.994 -21.568 1.00 1.00 O ATOM 0 H ASP A 59 -20.378 -7.336 -20.071 1.00 1.00 H new ATOM 0 HA ASP A 59 -18.758 -5.100 -19.291 1.00 1.00 H new ATOM 0 HB2 ASP A 59 -19.139 -5.531 -21.615 1.00 1.00 H new ATOM 0 HB3 ASP A 59 -20.878 -5.568 -21.395 1.00 1.00 H new ATOM 912 N PRO A 60 -20.354 -3.710 -17.934 1.00 1.00 N ATOM 913 CA PRO A 60 -21.227 -3.009 -16.984 1.00 1.00 C ATOM 914 C PRO A 60 -22.291 -2.113 -17.638 1.00 1.00 C ATOM 915 O PRO A 60 -23.122 -1.545 -16.951 1.00 1.00 O ATOM 916 CB PRO A 60 -20.257 -2.200 -16.137 1.00 1.00 C ATOM 917 CG PRO A 60 -19.073 -1.992 -17.020 1.00 1.00 C ATOM 918 CD PRO A 60 -18.965 -3.216 -17.869 1.00 1.00 C ATOM 0 HA PRO A 60 -21.827 -3.717 -16.412 1.00 1.00 H new ATOM 0 HB2 PRO A 60 -20.695 -1.250 -15.830 1.00 1.00 H new ATOM 0 HB3 PRO A 60 -19.984 -2.734 -15.227 1.00 1.00 H new ATOM 0 HG2 PRO A 60 -19.198 -1.101 -17.636 1.00 1.00 H new ATOM 0 HG3 PRO A 60 -18.168 -1.847 -16.430 1.00 1.00 H new ATOM 0 HD2 PRO A 60 -18.574 -2.985 -18.860 1.00 1.00 H new ATOM 0 HD3 PRO A 60 -18.296 -3.954 -17.427 1.00 1.00 H new ATOM 926 N ARG A 61 -22.234 -1.952 -18.945 1.00 1.00 N ATOM 927 CA ARG A 61 -23.256 -1.195 -19.635 1.00 1.00 C ATOM 928 C ARG A 61 -24.340 -2.136 -20.160 1.00 1.00 C ATOM 929 O ARG A 61 -25.439 -1.710 -20.487 1.00 1.00 O ATOM 930 CB ARG A 61 -22.685 -0.364 -20.784 1.00 1.00 C ATOM 931 CG ARG A 61 -21.571 0.583 -20.388 1.00 1.00 C ATOM 932 CD ARG A 61 -20.222 -0.095 -20.505 1.00 1.00 C ATOM 933 NE ARG A 61 -19.109 0.829 -20.403 1.00 1.00 N ATOM 934 CZ ARG A 61 -17.882 0.568 -20.844 1.00 1.00 C ATOM 935 NH1 ARG A 61 -17.579 -0.642 -21.329 1.00 1.00 N ATOM 936 NH2 ARG A 61 -16.962 1.508 -20.802 1.00 1.00 N ATOM 0 H ARG A 61 -21.500 -2.330 -19.544 1.00 1.00 H new ATOM 0 HA ARG A 61 -23.688 -0.501 -18.914 1.00 1.00 H new ATOM 0 HB2 ARG A 61 -22.312 -1.040 -21.553 1.00 1.00 H new ATOM 0 HB3 ARG A 61 -23.493 0.214 -21.232 1.00 1.00 H new ATOM 0 HG2 ARG A 61 -21.595 1.467 -21.025 1.00 1.00 H new ATOM 0 HG3 ARG A 61 -21.724 0.924 -19.364 1.00 1.00 H new ATOM 0 HD2 ARG A 61 -20.133 -0.850 -19.724 1.00 1.00 H new ATOM 0 HD3 ARG A 61 -20.166 -0.617 -21.460 1.00 1.00 H new ATOM 0 HE ARG A 61 -19.278 1.735 -19.966 1.00 1.00 H new ATOM 0 HH11 ARG A 61 -18.291 -1.371 -21.362 1.00 1.00 H new ATOM 0 HH12 ARG A 61 -16.636 -0.835 -21.666 1.00 1.00 H new ATOM 0 HH21 ARG A 61 -17.192 2.431 -20.433 1.00 1.00 H new ATOM 0 HH22 ARG A 61 -16.019 1.314 -21.139 1.00 1.00 H new ATOM 950 N THR A 62 -24.024 -3.417 -20.246 1.00 1.00 N ATOM 951 CA THR A 62 -24.992 -4.405 -20.745 1.00 1.00 C ATOM 952 C THR A 62 -25.803 -5.006 -19.594 1.00 1.00 C ATOM 953 O THR A 62 -26.765 -5.753 -19.805 1.00 1.00 O ATOM 954 CB THR A 62 -24.332 -5.522 -21.635 1.00 1.00 C ATOM 955 OG1 THR A 62 -25.329 -6.216 -22.406 1.00 1.00 O ATOM 956 CG2 THR A 62 -23.554 -6.533 -20.811 1.00 1.00 C ATOM 0 H THR A 62 -23.118 -3.804 -19.982 1.00 1.00 H new ATOM 0 HA THR A 62 -25.676 -3.867 -21.401 1.00 1.00 H new ATOM 0 HB THR A 62 -23.635 -5.013 -22.300 1.00 1.00 H new ATOM 0 HG1 THR A 62 -26.141 -6.324 -21.869 1.00 1.00 H new ATOM 0 HG21 THR A 62 -23.118 -7.283 -21.472 1.00 1.00 H new ATOM 0 HG22 THR A 62 -22.759 -6.024 -20.266 1.00 1.00 H new ATOM 0 HG23 THR A 62 -24.225 -7.019 -20.103 1.00 1.00 H new ATOM 964 N LEU A 63 -25.406 -4.685 -18.390 1.00 1.00 N ATOM 965 CA LEU A 63 -26.137 -5.061 -17.222 1.00 1.00 C ATOM 966 C LEU A 63 -26.219 -3.870 -16.301 1.00 1.00 C ATOM 967 O LEU A 63 -25.293 -3.083 -16.238 1.00 1.00 O ATOM 968 CB LEU A 63 -25.592 -6.385 -16.549 1.00 1.00 C ATOM 969 CG LEU A 63 -24.433 -6.356 -15.514 1.00 1.00 C ATOM 970 CD1 LEU A 63 -23.223 -5.635 -16.024 1.00 1.00 C ATOM 971 CD2 LEU A 63 -24.885 -5.813 -14.170 1.00 1.00 C ATOM 0 H LEU A 63 -24.559 -4.151 -18.198 1.00 1.00 H new ATOM 0 HA LEU A 63 -27.155 -5.335 -17.499 1.00 1.00 H new ATOM 0 HB2 LEU A 63 -26.441 -6.863 -16.060 1.00 1.00 H new ATOM 0 HB3 LEU A 63 -25.277 -7.044 -17.358 1.00 1.00 H new ATOM 0 HG LEU A 63 -24.135 -7.393 -15.361 1.00 1.00 H new ATOM 0 HD11 LEU A 63 -22.445 -5.645 -15.261 1.00 1.00 H new ATOM 0 HD12 LEU A 63 -22.856 -6.131 -16.923 1.00 1.00 H new ATOM 0 HD13 LEU A 63 -23.486 -4.604 -16.260 1.00 1.00 H new ATOM 0 HD21 LEU A 63 -24.044 -5.810 -13.477 1.00 1.00 H new ATOM 0 HD22 LEU A 63 -25.256 -4.796 -14.295 1.00 1.00 H new ATOM 0 HD23 LEU A 63 -25.681 -6.443 -13.772 1.00 1.00 H new ATOM 983 N ASP A 64 -27.305 -3.723 -15.632 1.00 1.00 N ATOM 984 CA ASP A 64 -27.514 -2.595 -14.764 1.00 1.00 C ATOM 985 C ASP A 64 -27.555 -3.026 -13.335 1.00 1.00 C ATOM 986 O ASP A 64 -27.904 -4.165 -13.034 1.00 1.00 O ATOM 987 CB ASP A 64 -28.777 -1.803 -15.153 1.00 1.00 C ATOM 988 CG ASP A 64 -30.044 -2.650 -15.360 1.00 1.00 C ATOM 989 OD1 ASP A 64 -30.025 -3.607 -16.157 1.00 1.00 O ATOM 990 OD2 ASP A 64 -31.080 -2.337 -14.767 1.00 1.00 O ATOM 0 H ASP A 64 -28.085 -4.379 -15.664 1.00 1.00 H new ATOM 0 HA ASP A 64 -26.667 -1.920 -14.886 1.00 1.00 H new ATOM 0 HB2 ASP A 64 -28.976 -1.064 -14.377 1.00 1.00 H new ATOM 0 HB3 ASP A 64 -28.573 -1.253 -16.072 1.00 1.00 H new ATOM 995 N VAL A 65 -27.173 -2.149 -12.441 1.00 1.00 N ATOM 996 CA VAL A 65 -27.182 -2.502 -11.061 1.00 1.00 C ATOM 997 C VAL A 65 -28.071 -1.573 -10.264 1.00 1.00 C ATOM 998 O VAL A 65 -27.973 -0.340 -10.376 1.00 1.00 O ATOM 999 CB VAL A 65 -25.728 -2.581 -10.432 1.00 1.00 C ATOM 1000 CG1 VAL A 65 -25.024 -1.233 -10.390 1.00 1.00 C ATOM 1001 CG2 VAL A 65 -25.755 -3.196 -9.043 1.00 1.00 C ATOM 0 H VAL A 65 -26.858 -1.201 -12.648 1.00 1.00 H new ATOM 0 HA VAL A 65 -27.597 -3.508 -11.005 1.00 1.00 H new ATOM 0 HB VAL A 65 -25.154 -3.227 -11.096 1.00 1.00 H new ATOM 0 HG11 VAL A 65 -24.034 -1.353 -9.949 1.00 1.00 H new ATOM 0 HG12 VAL A 65 -24.925 -0.842 -11.403 1.00 1.00 H new ATOM 0 HG13 VAL A 65 -25.607 -0.536 -9.788 1.00 1.00 H new ATOM 0 HG21 VAL A 65 -24.742 -3.235 -8.642 1.00 1.00 H new ATOM 0 HG22 VAL A 65 -26.381 -2.590 -8.389 1.00 1.00 H new ATOM 0 HG23 VAL A 65 -26.161 -4.206 -9.100 1.00 1.00 H new ATOM 1011 N GLU A 66 -28.938 -2.149 -9.472 1.00 1.00 N ATOM 1012 CA GLU A 66 -29.705 -1.372 -8.573 1.00 1.00 C ATOM 1013 C GLU A 66 -28.920 -1.316 -7.331 1.00 1.00 C ATOM 1014 O GLU A 66 -28.703 -2.337 -6.664 1.00 1.00 O ATOM 1015 CB GLU A 66 -31.055 -1.987 -8.212 1.00 1.00 C ATOM 1016 CG GLU A 66 -32.103 -2.037 -9.277 1.00 1.00 C ATOM 1017 CD GLU A 66 -33.438 -2.388 -8.665 1.00 1.00 C ATOM 1018 OE1 GLU A 66 -34.135 -1.470 -8.161 1.00 1.00 O ATOM 1019 OE2 GLU A 66 -33.792 -3.570 -8.623 1.00 1.00 O ATOM 0 H GLU A 66 -29.120 -3.152 -9.442 1.00 1.00 H new ATOM 0 HA GLU A 66 -29.907 -0.409 -9.042 1.00 1.00 H new ATOM 0 HB2 GLU A 66 -30.878 -3.006 -7.868 1.00 1.00 H new ATOM 0 HB3 GLU A 66 -31.462 -1.431 -7.367 1.00 1.00 H new ATOM 0 HG2 GLU A 66 -32.167 -1.074 -9.783 1.00 1.00 H new ATOM 0 HG3 GLU A 66 -31.833 -2.776 -10.031 1.00 1.00 H new ATOM 1026 N TRP A 67 -28.470 -0.185 -7.021 1.00 1.00 N ATOM 1027 CA TRP A 67 -27.740 -0.029 -5.853 1.00 1.00 C ATOM 1028 C TRP A 67 -28.686 0.295 -4.747 1.00 1.00 C ATOM 1029 O TRP A 67 -29.406 1.290 -4.801 1.00 1.00 O ATOM 1030 CB TRP A 67 -26.707 1.044 -6.001 1.00 1.00 C ATOM 1031 CG TRP A 67 -25.685 0.966 -4.936 1.00 1.00 C ATOM 1032 CD1 TRP A 67 -25.900 1.117 -3.608 1.00 1.00 C ATOM 1033 CD2 TRP A 67 -24.294 0.708 -5.099 1.00 1.00 C ATOM 1034 NE1 TRP A 67 -24.767 0.952 -2.920 1.00 1.00 N ATOM 1035 CE2 TRP A 67 -23.731 0.713 -3.822 1.00 1.00 C ATOM 1036 CE3 TRP A 67 -23.464 0.477 -6.210 1.00 1.00 C ATOM 1037 CZ2 TRP A 67 -22.370 0.492 -3.619 1.00 1.00 C ATOM 1038 CZ3 TRP A 67 -22.120 0.260 -6.001 1.00 1.00 C ATOM 1039 CH2 TRP A 67 -21.588 0.267 -4.717 1.00 1.00 C ATOM 0 H TRP A 67 -28.597 0.664 -7.572 1.00 1.00 H new ATOM 0 HA TRP A 67 -27.210 -0.954 -5.628 1.00 1.00 H new ATOM 0 HB2 TRP A 67 -26.226 0.955 -6.975 1.00 1.00 H new ATOM 0 HB3 TRP A 67 -27.190 2.021 -5.972 1.00 1.00 H new ATOM 0 HD1 TRP A 67 -26.859 1.341 -3.164 1.00 1.00 H new ATOM 0 HE1 TRP A 67 -24.675 0.994 -1.905 1.00 1.00 H new ATOM 0 HE3 TRP A 67 -23.873 0.470 -7.210 1.00 1.00 H new ATOM 0 HZ2 TRP A 67 -21.947 0.498 -2.625 1.00 1.00 H new ATOM 0 HZ3 TRP A 67 -21.471 0.082 -6.846 1.00 1.00 H new ATOM 0 HH2 TRP A 67 -20.531 0.090 -4.584 1.00 1.00 H new ATOM 1050 N ARG A 68 -28.687 -0.533 -3.760 1.00 1.00 N ATOM 1051 CA ARG A 68 -29.550 -0.380 -2.666 1.00 1.00 C ATOM 1052 C ARG A 68 -28.699 -0.069 -1.452 1.00 1.00 C ATOM 1053 O ARG A 68 -28.232 -0.954 -0.734 1.00 1.00 O ATOM 1054 CB ARG A 68 -30.369 -1.672 -2.501 1.00 1.00 C ATOM 1055 CG ARG A 68 -31.149 -2.027 -3.777 1.00 1.00 C ATOM 1056 CD ARG A 68 -31.926 -3.324 -3.668 1.00 1.00 C ATOM 1057 NE ARG A 68 -32.617 -3.650 -4.941 1.00 1.00 N ATOM 1058 CZ ARG A 68 -33.407 -4.723 -5.144 1.00 1.00 C ATOM 1059 NH1 ARG A 68 -33.634 -5.576 -4.161 1.00 1.00 N ATOM 1060 NH2 ARG A 68 -33.977 -4.930 -6.336 1.00 1.00 N ATOM 0 H ARG A 68 -28.073 -1.346 -3.700 1.00 1.00 H new ATOM 0 HA ARG A 68 -30.258 0.436 -2.807 1.00 1.00 H new ATOM 0 HB2 ARG A 68 -29.701 -2.494 -2.244 1.00 1.00 H new ATOM 0 HB3 ARG A 68 -31.066 -1.556 -1.671 1.00 1.00 H new ATOM 0 HG2 ARG A 68 -31.840 -1.217 -4.008 1.00 1.00 H new ATOM 0 HG3 ARG A 68 -30.452 -2.099 -4.612 1.00 1.00 H new ATOM 0 HD2 ARG A 68 -31.248 -4.135 -3.402 1.00 1.00 H new ATOM 0 HD3 ARG A 68 -32.658 -3.245 -2.865 1.00 1.00 H new ATOM 0 HE ARG A 68 -32.483 -3.011 -5.725 1.00 1.00 H new ATOM 0 HH11 ARG A 68 -33.211 -5.423 -3.245 1.00 1.00 H new ATOM 0 HH12 ARG A 68 -34.232 -6.387 -4.318 1.00 1.00 H new ATOM 0 HH21 ARG A 68 -33.815 -4.273 -7.100 1.00 1.00 H new ATOM 0 HH22 ARG A 68 -34.574 -5.744 -6.482 1.00 1.00 H new ATOM 1074 N SER A 69 -28.466 1.199 -1.256 1.00 1.00 N ATOM 1075 CA SER A 69 -27.667 1.665 -0.153 1.00 1.00 C ATOM 1076 C SER A 69 -28.511 1.728 1.094 1.00 1.00 C ATOM 1077 O SER A 69 -28.002 1.760 2.221 1.00 1.00 O ATOM 1078 CB SER A 69 -27.084 3.036 -0.487 1.00 1.00 C ATOM 1079 OG SER A 69 -28.104 3.963 -0.824 1.00 1.00 O ATOM 0 H SER A 69 -28.825 1.941 -1.857 1.00 1.00 H new ATOM 0 HA SER A 69 -26.844 0.973 0.024 1.00 1.00 H new ATOM 0 HB2 SER A 69 -26.517 3.410 0.366 1.00 1.00 H new ATOM 0 HB3 SER A 69 -26.385 2.943 -1.318 1.00 1.00 H new ATOM 0 HG SER A 69 -27.959 4.292 -1.735 1.00 1.00 H new ATOM 1085 N GLY A 70 -29.800 1.762 0.877 1.00 1.00 N ATOM 1086 CA GLY A 70 -30.757 1.818 1.967 1.00 1.00 C ATOM 1087 C GLY A 70 -31.005 3.238 2.432 1.00 1.00 C ATOM 1088 O GLY A 70 -32.151 3.671 2.539 1.00 1.00 O ATOM 0 H GLY A 70 -30.221 1.752 -0.052 1.00 1.00 H new ATOM 0 HA2 GLY A 70 -31.698 1.372 1.646 1.00 1.00 H new ATOM 0 HA3 GLY A 70 -30.390 1.222 2.802 1.00 1.00 H new ATOM 1092 N VAL A 71 -29.927 3.963 2.693 1.00 1.00 N ATOM 1093 CA VAL A 71 -30.001 5.358 3.130 1.00 1.00 C ATOM 1094 C VAL A 71 -30.585 6.260 2.032 1.00 1.00 C ATOM 1095 O VAL A 71 -31.332 7.193 2.308 1.00 1.00 O ATOM 1096 CB VAL A 71 -28.624 5.900 3.620 1.00 1.00 C ATOM 1097 CG1 VAL A 71 -28.148 5.112 4.831 1.00 1.00 C ATOM 1098 CG2 VAL A 71 -27.574 5.854 2.515 1.00 1.00 C ATOM 0 H VAL A 71 -28.975 3.605 2.609 1.00 1.00 H new ATOM 0 HA VAL A 71 -30.678 5.380 3.984 1.00 1.00 H new ATOM 0 HB VAL A 71 -28.762 6.944 3.903 1.00 1.00 H new ATOM 0 HG11 VAL A 71 -27.185 5.501 5.163 1.00 1.00 H new ATOM 0 HG12 VAL A 71 -28.876 5.209 5.637 1.00 1.00 H new ATOM 0 HG13 VAL A 71 -28.042 4.061 4.562 1.00 1.00 H new ATOM 0 HG21 VAL A 71 -26.628 6.240 2.895 1.00 1.00 H new ATOM 0 HG22 VAL A 71 -27.439 4.824 2.184 1.00 1.00 H new ATOM 0 HG23 VAL A 71 -27.903 6.465 1.675 1.00 1.00 H new ATOM 1108 N ALA A 72 -30.226 5.976 0.793 1.00 1.00 N ATOM 1109 CA ALA A 72 -30.764 6.705 -0.345 1.00 1.00 C ATOM 1110 C ALA A 72 -31.833 5.859 -1.029 1.00 1.00 C ATOM 1111 O ALA A 72 -32.531 6.308 -1.939 1.00 1.00 O ATOM 1112 CB ALA A 72 -29.655 7.051 -1.315 1.00 1.00 C ATOM 0 H ALA A 72 -29.561 5.243 0.547 1.00 1.00 H new ATOM 0 HA ALA A 72 -31.216 7.635 0.000 1.00 1.00 H new ATOM 0 HB1 ALA A 72 -30.070 7.596 -2.163 1.00 1.00 H new ATOM 0 HB2 ALA A 72 -28.913 7.671 -0.813 1.00 1.00 H new ATOM 0 HB3 ALA A 72 -29.183 6.135 -1.669 1.00 1.00 H new ATOM 1118 N GLY A 73 -31.944 4.633 -0.571 1.00 1.00 N ATOM 1119 CA GLY A 73 -32.886 3.701 -1.121 1.00 1.00 C ATOM 1120 C GLY A 73 -32.239 2.836 -2.171 1.00 1.00 C ATOM 1121 O GLY A 73 -31.234 2.159 -1.894 1.00 1.00 O ATOM 0 H GLY A 73 -31.381 4.259 0.193 1.00 1.00 H new ATOM 0 HA2 GLY A 73 -33.289 3.074 -0.326 1.00 1.00 H new ATOM 0 HA3 GLY A 73 -33.726 4.242 -1.557 1.00 1.00 H new ATOM 1125 N HIS A 74 -32.778 2.884 -3.365 1.00 1.00 N ATOM 1126 CA HIS A 74 -32.281 2.112 -4.487 1.00 1.00 C ATOM 1127 C HIS A 74 -32.200 2.968 -5.749 1.00 1.00 C ATOM 1128 O HIS A 74 -33.204 3.520 -6.216 1.00 1.00 O ATOM 1129 CB HIS A 74 -33.084 0.798 -4.721 1.00 1.00 C ATOM 1130 CG HIS A 74 -34.511 0.938 -5.198 1.00 1.00 C ATOM 1131 ND1 HIS A 74 -35.031 0.207 -6.251 1.00 1.00 N ATOM 1132 CD2 HIS A 74 -35.538 1.693 -4.736 1.00 1.00 C ATOM 1133 CE1 HIS A 74 -36.298 0.505 -6.402 1.00 1.00 C ATOM 1134 NE2 HIS A 74 -36.627 1.400 -5.502 1.00 1.00 N ATOM 0 H HIS A 74 -33.584 3.466 -3.592 1.00 1.00 H new ATOM 0 HA HIS A 74 -31.269 1.798 -4.232 1.00 1.00 H new ATOM 0 HB2 HIS A 74 -32.542 0.195 -5.450 1.00 1.00 H new ATOM 0 HB3 HIS A 74 -33.093 0.237 -3.787 1.00 1.00 H new ATOM 0 HD1 HIS A 74 -34.510 -0.460 -6.821 1.00 1.00 H new ATOM 0 HD2 HIS A 74 -35.500 2.394 -3.916 1.00 1.00 H new ATOM 0 HE1 HIS A 74 -36.961 0.084 -7.144 1.00 1.00 H new ATOM 1143 N LEU A 75 -31.012 3.077 -6.275 1.00 1.00 N ATOM 1144 CA LEU A 75 -30.730 3.888 -7.435 1.00 1.00 C ATOM 1145 C LEU A 75 -30.113 3.010 -8.496 1.00 1.00 C ATOM 1146 O LEU A 75 -29.448 2.034 -8.172 1.00 1.00 O ATOM 1147 CB LEU A 75 -29.733 5.012 -7.073 1.00 1.00 C ATOM 1148 CG LEU A 75 -30.241 6.194 -6.210 1.00 1.00 C ATOM 1149 CD1 LEU A 75 -31.575 6.734 -6.706 1.00 1.00 C ATOM 1150 CD2 LEU A 75 -30.318 5.813 -4.738 1.00 1.00 C ATOM 0 H LEU A 75 -30.193 2.596 -5.904 1.00 1.00 H new ATOM 0 HA LEU A 75 -31.655 4.337 -7.796 1.00 1.00 H new ATOM 0 HB2 LEU A 75 -28.893 4.555 -6.550 1.00 1.00 H new ATOM 0 HB3 LEU A 75 -29.343 5.423 -8.004 1.00 1.00 H new ATOM 0 HG LEU A 75 -29.511 6.997 -6.312 1.00 1.00 H new ATOM 0 HD11 LEU A 75 -31.892 7.561 -6.071 1.00 1.00 H new ATOM 0 HD12 LEU A 75 -31.466 7.086 -7.732 1.00 1.00 H new ATOM 0 HD13 LEU A 75 -32.324 5.942 -6.671 1.00 1.00 H new ATOM 0 HD21 LEU A 75 -30.678 6.664 -4.160 1.00 1.00 H new ATOM 0 HD22 LEU A 75 -31.004 4.975 -4.615 1.00 1.00 H new ATOM 0 HD23 LEU A 75 -29.328 5.527 -4.384 1.00 1.00 H new ATOM 1162 N ILE A 76 -30.332 3.323 -9.741 1.00 1.00 N ATOM 1163 CA ILE A 76 -29.747 2.540 -10.809 1.00 1.00 C ATOM 1164 C ILE A 76 -28.379 3.111 -11.137 1.00 1.00 C ATOM 1165 O ILE A 76 -28.263 4.258 -11.594 1.00 1.00 O ATOM 1166 CB ILE A 76 -30.634 2.560 -12.086 1.00 1.00 C ATOM 1167 CG1 ILE A 76 -32.093 2.238 -11.730 1.00 1.00 C ATOM 1168 CG2 ILE A 76 -30.107 1.577 -13.132 1.00 1.00 C ATOM 1169 CD1 ILE A 76 -32.260 0.987 -10.896 1.00 1.00 C ATOM 0 H ILE A 76 -30.906 4.108 -10.048 1.00 1.00 H new ATOM 0 HA ILE A 76 -29.665 1.505 -10.476 1.00 1.00 H new ATOM 0 HB ILE A 76 -30.594 3.562 -12.513 1.00 1.00 H new ATOM 0 HG12 ILE A 76 -32.519 3.083 -11.189 1.00 1.00 H new ATOM 0 HG13 ILE A 76 -32.665 2.128 -12.651 1.00 1.00 H new ATOM 0 HG21 ILE A 76 -30.744 1.610 -14.016 1.00 1.00 H new ATOM 0 HG22 ILE A 76 -29.089 1.851 -13.409 1.00 1.00 H new ATOM 0 HG23 ILE A 76 -30.112 0.569 -12.718 1.00 1.00 H new ATOM 0 HD11 ILE A 76 -33.318 0.828 -10.686 1.00 1.00 H new ATOM 0 HD12 ILE A 76 -31.865 0.130 -11.442 1.00 1.00 H new ATOM 0 HD13 ILE A 76 -31.717 1.100 -9.958 1.00 1.00 H new ATOM 1181 N LEU A 77 -27.355 2.333 -10.889 1.00 1.00 N ATOM 1182 CA LEU A 77 -26.002 2.769 -11.109 1.00 1.00 C ATOM 1183 C LEU A 77 -25.362 2.040 -12.277 1.00 1.00 C ATOM 1184 O LEU A 77 -25.593 0.854 -12.492 1.00 1.00 O ATOM 1185 CB LEU A 77 -25.141 2.591 -9.848 1.00 1.00 C ATOM 1186 CG LEU A 77 -25.192 3.697 -8.774 1.00 1.00 C ATOM 1187 CD1 LEU A 77 -26.594 3.928 -8.288 1.00 1.00 C ATOM 1188 CD2 LEU A 77 -24.340 3.286 -7.622 1.00 1.00 C ATOM 0 H LEU A 77 -27.437 1.382 -10.530 1.00 1.00 H new ATOM 0 HA LEU A 77 -26.050 3.831 -11.350 1.00 1.00 H new ATOM 0 HB2 LEU A 77 -25.431 1.653 -9.375 1.00 1.00 H new ATOM 0 HB3 LEU A 77 -24.104 2.481 -10.165 1.00 1.00 H new ATOM 0 HG LEU A 77 -24.828 4.624 -9.216 1.00 1.00 H new ATOM 0 HD11 LEU A 77 -26.592 4.714 -7.532 1.00 1.00 H new ATOM 0 HD12 LEU A 77 -27.224 4.231 -9.125 1.00 1.00 H new ATOM 0 HD13 LEU A 77 -26.985 3.008 -7.854 1.00 1.00 H new ATOM 0 HD21 LEU A 77 -24.367 4.060 -6.855 1.00 1.00 H new ATOM 0 HD22 LEU A 77 -24.716 2.351 -7.207 1.00 1.00 H new ATOM 0 HD23 LEU A 77 -23.313 3.147 -7.960 1.00 1.00 H new ATOM 1200 N SER A 78 -24.561 2.765 -13.003 1.00 1.00 N ATOM 1201 CA SER A 78 -23.812 2.286 -14.145 1.00 1.00 C ATOM 1202 C SER A 78 -22.719 3.289 -14.351 1.00 1.00 C ATOM 1203 O SER A 78 -22.856 4.448 -13.909 1.00 1.00 O ATOM 1204 CB SER A 78 -24.673 2.236 -15.410 1.00 1.00 C ATOM 1205 OG SER A 78 -25.847 1.454 -15.234 1.00 1.00 O ATOM 0 H SER A 78 -24.400 3.754 -12.812 1.00 1.00 H new ATOM 0 HA SER A 78 -23.447 1.275 -13.963 1.00 1.00 H new ATOM 0 HB2 SER A 78 -24.954 3.250 -15.696 1.00 1.00 H new ATOM 0 HB3 SER A 78 -24.085 1.825 -16.231 1.00 1.00 H new ATOM 0 HG SER A 78 -26.366 1.452 -16.065 1.00 1.00 H new ATOM 1211 N ASP A 79 -21.647 2.901 -14.963 1.00 1.00 N ATOM 1212 CA ASP A 79 -20.580 3.834 -15.205 1.00 1.00 C ATOM 1213 C ASP A 79 -20.929 4.794 -16.314 1.00 1.00 C ATOM 1214 O ASP A 79 -20.765 6.010 -16.156 1.00 1.00 O ATOM 1215 CB ASP A 79 -19.271 3.129 -15.510 1.00 1.00 C ATOM 1216 CG ASP A 79 -19.425 2.013 -16.508 1.00 1.00 C ATOM 1217 OD1 ASP A 79 -19.847 0.931 -16.089 1.00 1.00 O ATOM 1218 OD2 ASP A 79 -19.115 2.202 -17.694 1.00 1.00 O ATOM 0 H ASP A 79 -21.482 1.954 -15.304 1.00 1.00 H new ATOM 0 HA ASP A 79 -20.447 4.404 -14.286 1.00 1.00 H new ATOM 0 HB2 ASP A 79 -18.554 3.855 -15.893 1.00 1.00 H new ATOM 0 HB3 ASP A 79 -18.856 2.728 -14.585 1.00 1.00 H new ATOM 1223 N GLU A 80 -21.464 4.279 -17.405 1.00 1.00 N ATOM 1224 CA GLU A 80 -21.751 5.107 -18.546 1.00 1.00 C ATOM 1225 C GLU A 80 -23.177 4.935 -19.062 1.00 1.00 C ATOM 1226 O GLU A 80 -23.387 4.467 -20.179 1.00 1.00 O ATOM 1227 CB GLU A 80 -20.726 4.860 -19.653 1.00 1.00 C ATOM 1228 CG GLU A 80 -19.320 5.291 -19.278 1.00 1.00 C ATOM 1229 CD GLU A 80 -18.328 5.071 -20.375 1.00 1.00 C ATOM 1230 OE1 GLU A 80 -17.752 3.991 -20.465 1.00 1.00 O ATOM 1231 OE2 GLU A 80 -18.086 6.008 -21.163 1.00 1.00 O ATOM 0 H GLU A 80 -21.705 3.295 -17.519 1.00 1.00 H new ATOM 0 HA GLU A 80 -21.672 6.143 -18.218 1.00 1.00 H new ATOM 0 HB2 GLU A 80 -20.719 3.799 -19.901 1.00 1.00 H new ATOM 0 HB3 GLU A 80 -21.035 5.395 -20.551 1.00 1.00 H new ATOM 0 HG2 GLU A 80 -19.329 6.348 -19.011 1.00 1.00 H new ATOM 0 HG3 GLU A 80 -19.002 4.741 -18.392 1.00 1.00 H new ATOM 1238 N ASP A 81 -24.165 5.330 -18.252 1.00 1.00 N ATOM 1239 CA ASP A 81 -25.564 5.225 -18.686 1.00 1.00 C ATOM 1240 C ASP A 81 -26.433 6.417 -18.252 1.00 1.00 C ATOM 1241 O ASP A 81 -26.224 7.536 -18.707 1.00 1.00 O ATOM 1242 CB ASP A 81 -26.216 3.904 -18.262 1.00 1.00 C ATOM 1243 CG ASP A 81 -25.938 2.752 -19.195 1.00 1.00 C ATOM 1244 OD1 ASP A 81 -26.556 2.685 -20.280 1.00 1.00 O ATOM 1245 OD2 ASP A 81 -25.161 1.868 -18.847 1.00 1.00 O ATOM 0 H ASP A 81 -24.030 5.715 -17.317 1.00 1.00 H new ATOM 0 HA ASP A 81 -25.516 5.244 -19.775 1.00 1.00 H new ATOM 0 HB2 ASP A 81 -25.865 3.642 -17.264 1.00 1.00 H new ATOM 0 HB3 ASP A 81 -27.294 4.049 -18.193 1.00 1.00 H new ATOM 1250 N VAL A 82 -27.343 6.169 -17.298 1.00 1.00 N ATOM 1251 CA VAL A 82 -28.416 7.122 -16.905 1.00 1.00 C ATOM 1252 C VAL A 82 -27.901 8.476 -16.384 1.00 1.00 C ATOM 1253 O VAL A 82 -28.566 9.493 -16.518 1.00 1.00 O ATOM 1254 CB VAL A 82 -29.375 6.477 -15.854 1.00 1.00 C ATOM 1255 CG1 VAL A 82 -28.711 6.304 -14.484 1.00 1.00 C ATOM 1256 CG2 VAL A 82 -30.692 7.229 -15.745 1.00 1.00 C ATOM 0 H VAL A 82 -27.363 5.298 -16.768 1.00 1.00 H new ATOM 0 HA VAL A 82 -28.960 7.336 -17.825 1.00 1.00 H new ATOM 0 HB VAL A 82 -29.603 5.477 -16.223 1.00 1.00 H new ATOM 0 HG11 VAL A 82 -29.420 5.852 -13.791 1.00 1.00 H new ATOM 0 HG12 VAL A 82 -27.838 5.659 -14.582 1.00 1.00 H new ATOM 0 HG13 VAL A 82 -28.402 7.278 -14.104 1.00 1.00 H new ATOM 0 HG21 VAL A 82 -31.327 6.745 -15.003 1.00 1.00 H new ATOM 0 HG22 VAL A 82 -30.499 8.258 -15.442 1.00 1.00 H new ATOM 0 HG23 VAL A 82 -31.195 7.224 -16.712 1.00 1.00 H new ATOM 1266 N THR A 83 -26.751 8.478 -15.785 1.00 1.00 N ATOM 1267 CA THR A 83 -26.199 9.696 -15.256 1.00 1.00 C ATOM 1268 C THR A 83 -24.821 9.952 -15.867 1.00 1.00 C ATOM 1269 O THR A 83 -24.008 10.703 -15.323 1.00 1.00 O ATOM 1270 CB THR A 83 -26.142 9.647 -13.680 1.00 1.00 C ATOM 1271 OG1 THR A 83 -25.565 10.851 -13.124 1.00 1.00 O ATOM 1272 CG2 THR A 83 -25.359 8.435 -13.198 1.00 1.00 C ATOM 0 H THR A 83 -26.171 7.650 -15.648 1.00 1.00 H new ATOM 0 HA THR A 83 -26.848 10.529 -15.527 1.00 1.00 H new ATOM 0 HB THR A 83 -27.172 9.569 -13.331 1.00 1.00 H new ATOM 0 HG1 THR A 83 -24.848 11.171 -13.711 1.00 1.00 H new ATOM 0 HG21 THR A 83 -25.336 8.427 -12.108 1.00 1.00 H new ATOM 0 HG22 THR A 83 -25.839 7.525 -13.558 1.00 1.00 H new ATOM 0 HG23 THR A 83 -24.340 8.484 -13.582 1.00 1.00 H new ATOM 1280 N SER A 84 -24.557 9.338 -17.002 1.00 1.00 N ATOM 1281 CA SER A 84 -23.261 9.484 -17.596 1.00 1.00 C ATOM 1282 C SER A 84 -23.288 10.200 -18.937 1.00 1.00 C ATOM 1283 O SER A 84 -23.536 9.595 -19.988 1.00 1.00 O ATOM 1284 CB SER A 84 -22.571 8.140 -17.709 1.00 1.00 C ATOM 1285 OG SER A 84 -21.263 8.246 -18.258 1.00 1.00 O ATOM 0 H SER A 84 -25.211 8.748 -17.516 1.00 1.00 H new ATOM 0 HA SER A 84 -22.685 10.123 -16.927 1.00 1.00 H new ATOM 0 HB2 SER A 84 -22.512 7.681 -16.722 1.00 1.00 H new ATOM 0 HB3 SER A 84 -23.171 7.478 -18.333 1.00 1.00 H new ATOM 0 HG SER A 84 -20.619 7.821 -17.654 1.00 1.00 H new ATOM 1291 N GLU A 85 -23.073 11.484 -18.862 1.00 1.00 N ATOM 1292 CA GLU A 85 -22.835 12.354 -19.983 1.00 1.00 C ATOM 1293 C GLU A 85 -21.817 13.343 -19.488 1.00 1.00 C ATOM 1294 O GLU A 85 -21.955 13.848 -18.365 1.00 1.00 O ATOM 1295 CB GLU A 85 -24.115 13.053 -20.441 1.00 1.00 C ATOM 1296 CG GLU A 85 -25.122 12.104 -21.049 1.00 1.00 C ATOM 1297 CD GLU A 85 -26.400 12.770 -21.450 1.00 1.00 C ATOM 1298 OE1 GLU A 85 -27.314 12.872 -20.602 1.00 1.00 O ATOM 1299 OE2 GLU A 85 -26.521 13.196 -22.615 1.00 1.00 O ATOM 0 H GLU A 85 -23.058 11.979 -17.970 1.00 1.00 H new ATOM 0 HA GLU A 85 -22.484 11.803 -20.856 1.00 1.00 H new ATOM 0 HB2 GLU A 85 -24.570 13.560 -19.590 1.00 1.00 H new ATOM 0 HB3 GLU A 85 -23.861 13.821 -21.171 1.00 1.00 H new ATOM 0 HG2 GLU A 85 -24.679 11.628 -21.924 1.00 1.00 H new ATOM 0 HG3 GLU A 85 -25.343 11.313 -20.333 1.00 1.00 H new ATOM 1306 N VAL A 86 -20.800 13.612 -20.251 1.00 1.00 N ATOM 1307 CA VAL A 86 -19.740 14.384 -19.754 1.00 1.00 C ATOM 1308 C VAL A 86 -19.224 15.363 -20.785 1.00 1.00 C ATOM 1309 O VAL A 86 -18.897 15.006 -21.928 1.00 1.00 O ATOM 1310 CB VAL A 86 -18.598 13.474 -19.204 1.00 1.00 C ATOM 1311 CG1 VAL A 86 -18.116 12.458 -20.233 1.00 1.00 C ATOM 1312 CG2 VAL A 86 -17.445 14.280 -18.647 1.00 1.00 C ATOM 0 H VAL A 86 -20.697 13.301 -21.217 1.00 1.00 H new ATOM 0 HA VAL A 86 -20.125 14.975 -18.923 1.00 1.00 H new ATOM 0 HB VAL A 86 -19.032 12.911 -18.378 1.00 1.00 H new ATOM 0 HG11 VAL A 86 -17.322 11.850 -19.800 1.00 1.00 H new ATOM 0 HG12 VAL A 86 -18.946 11.815 -20.526 1.00 1.00 H new ATOM 0 HG13 VAL A 86 -17.735 12.981 -21.110 1.00 1.00 H new ATOM 0 HG21 VAL A 86 -16.674 13.604 -18.276 1.00 1.00 H new ATOM 0 HG22 VAL A 86 -17.028 14.909 -19.433 1.00 1.00 H new ATOM 0 HG23 VAL A 86 -17.801 14.908 -17.830 1.00 1.00 H new ATOM 1322 N GLN A 87 -19.190 16.581 -20.361 1.00 1.00 N ATOM 1323 CA GLN A 87 -18.670 17.715 -21.118 1.00 1.00 C ATOM 1324 C GLN A 87 -17.160 17.566 -21.371 1.00 1.00 C ATOM 1325 O GLN A 87 -16.658 17.931 -22.429 1.00 1.00 O ATOM 1326 CB GLN A 87 -18.953 19.021 -20.348 1.00 1.00 C ATOM 1327 CG GLN A 87 -18.434 19.003 -18.902 1.00 1.00 C ATOM 1328 CD GLN A 87 -18.748 20.255 -18.103 1.00 1.00 C ATOM 1329 OE1 GLN A 87 -19.853 20.885 -18.385 1.00 1.00 O flip ATOM 1330 NE2 GLN A 87 -17.987 20.641 -17.219 1.00 1.00 N flip ATOM 0 H GLN A 87 -19.535 16.846 -19.438 1.00 1.00 H new ATOM 0 HA GLN A 87 -19.171 17.746 -22.086 1.00 1.00 H new ATOM 0 HB2 GLN A 87 -18.494 19.854 -20.880 1.00 1.00 H new ATOM 0 HB3 GLN A 87 -20.028 19.202 -20.338 1.00 1.00 H new ATOM 0 HG2 GLN A 87 -18.861 18.142 -18.387 1.00 1.00 H new ATOM 0 HG3 GLN A 87 -17.354 18.860 -18.919 1.00 1.00 H new ATOM 0 HE21 GLN A 87 -17.129 20.125 -17.023 1.00 1.00 H new ATOM 0 HE22 GLN A 87 -18.213 21.478 -16.681 1.00 1.00 H new ATOM 1339 N GLY A 88 -16.463 17.038 -20.390 1.00 1.00 N ATOM 1340 CA GLY A 88 -15.043 16.857 -20.485 1.00 1.00 C ATOM 1341 C GLY A 88 -14.520 16.098 -19.296 1.00 1.00 C ATOM 1342 O GLY A 88 -14.262 14.902 -19.377 1.00 1.00 O ATOM 0 H GLY A 88 -16.869 16.725 -19.508 1.00 1.00 H new ATOM 0 HA2 GLY A 88 -14.801 16.318 -21.401 1.00 1.00 H new ATOM 0 HA3 GLY A 88 -14.552 17.828 -20.547 1.00 1.00 H new ATOM 1346 N LEU A 89 -14.392 16.775 -18.180 1.00 1.00 N ATOM 1347 CA LEU A 89 -13.877 16.142 -16.974 1.00 1.00 C ATOM 1348 C LEU A 89 -14.928 15.993 -15.876 1.00 1.00 C ATOM 1349 O LEU A 89 -14.606 15.557 -14.776 1.00 1.00 O ATOM 1350 CB LEU A 89 -12.619 16.880 -16.451 1.00 1.00 C ATOM 1351 CG LEU A 89 -12.718 18.416 -16.283 1.00 1.00 C ATOM 1352 CD1 LEU A 89 -13.527 18.805 -15.055 1.00 1.00 C ATOM 1353 CD2 LEU A 89 -11.337 19.029 -16.216 1.00 1.00 C ATOM 0 H LEU A 89 -14.634 17.760 -18.075 1.00 1.00 H new ATOM 0 HA LEU A 89 -13.591 15.129 -17.258 1.00 1.00 H new ATOM 0 HB2 LEU A 89 -12.353 16.451 -15.485 1.00 1.00 H new ATOM 0 HB3 LEU A 89 -11.795 16.667 -17.132 1.00 1.00 H new ATOM 0 HG LEU A 89 -13.241 18.805 -17.156 1.00 1.00 H new ATOM 0 HD11 LEU A 89 -13.570 19.891 -14.977 1.00 1.00 H new ATOM 0 HD12 LEU A 89 -14.538 18.407 -15.144 1.00 1.00 H new ATOM 0 HD13 LEU A 89 -13.053 18.396 -14.163 1.00 1.00 H new ATOM 0 HD21 LEU A 89 -11.424 20.109 -16.098 1.00 1.00 H new ATOM 0 HD22 LEU A 89 -10.795 18.613 -15.366 1.00 1.00 H new ATOM 0 HD23 LEU A 89 -10.795 18.807 -17.135 1.00 1.00 H new ATOM 1365 N PHE A 90 -16.177 16.349 -16.169 1.00 1.00 N ATOM 1366 CA PHE A 90 -17.217 16.336 -15.173 1.00 1.00 C ATOM 1367 C PHE A 90 -17.472 14.920 -14.602 1.00 1.00 C ATOM 1368 O PHE A 90 -17.480 14.733 -13.385 1.00 1.00 O ATOM 1369 CB PHE A 90 -18.471 16.973 -15.778 1.00 1.00 C ATOM 1370 CG PHE A 90 -19.746 16.661 -15.091 1.00 1.00 C ATOM 1371 CD1 PHE A 90 -20.177 17.376 -13.998 1.00 1.00 C ATOM 1372 CD2 PHE A 90 -20.506 15.637 -15.563 1.00 1.00 C ATOM 1373 CE1 PHE A 90 -21.371 17.060 -13.382 1.00 1.00 C ATOM 1374 CE2 PHE A 90 -21.707 15.305 -14.970 1.00 1.00 C ATOM 1375 CZ PHE A 90 -22.142 16.021 -13.872 1.00 1.00 C ATOM 0 H PHE A 90 -16.482 16.649 -17.095 1.00 1.00 H new ATOM 0 HA PHE A 90 -16.903 16.924 -14.311 1.00 1.00 H new ATOM 0 HB2 PHE A 90 -18.339 18.055 -15.785 1.00 1.00 H new ATOM 0 HB3 PHE A 90 -18.552 16.655 -16.817 1.00 1.00 H new ATOM 0 HD1 PHE A 90 -19.577 18.190 -13.619 1.00 1.00 H new ATOM 0 HD2 PHE A 90 -20.163 15.073 -16.418 1.00 1.00 H new ATOM 0 HE1 PHE A 90 -21.702 17.622 -12.521 1.00 1.00 H new ATOM 0 HE2 PHE A 90 -22.301 14.493 -15.361 1.00 1.00 H new ATOM 0 HZ PHE A 90 -23.080 15.771 -13.398 1.00 1.00 H new ATOM 1385 N ARG A 91 -17.657 13.940 -15.480 1.00 1.00 N ATOM 1386 CA ARG A 91 -17.897 12.577 -15.054 1.00 1.00 C ATOM 1387 C ARG A 91 -17.156 11.592 -15.937 1.00 1.00 C ATOM 1388 O ARG A 91 -17.360 11.568 -17.130 1.00 1.00 O ATOM 1389 CB ARG A 91 -19.402 12.258 -15.055 1.00 1.00 C ATOM 1390 CG ARG A 91 -19.770 10.892 -14.461 1.00 1.00 C ATOM 1391 CD ARG A 91 -19.950 10.958 -12.943 1.00 1.00 C ATOM 1392 NE ARG A 91 -18.695 11.241 -12.236 1.00 1.00 N ATOM 1393 CZ ARG A 91 -18.474 12.300 -11.436 1.00 1.00 C ATOM 1394 NH1 ARG A 91 -19.436 13.183 -11.205 1.00 1.00 N ATOM 1395 NH2 ARG A 91 -17.285 12.465 -10.870 1.00 1.00 N ATOM 0 H ARG A 91 -17.644 14.070 -16.492 1.00 1.00 H new ATOM 0 HA ARG A 91 -17.521 12.479 -14.036 1.00 1.00 H new ATOM 0 HB2 ARG A 91 -19.924 13.034 -14.496 1.00 1.00 H new ATOM 0 HB3 ARG A 91 -19.768 12.303 -16.081 1.00 1.00 H new ATOM 0 HG2 ARG A 91 -20.691 10.533 -14.920 1.00 1.00 H new ATOM 0 HG3 ARG A 91 -18.991 10.169 -14.703 1.00 1.00 H new ATOM 0 HD2 ARG A 91 -20.681 11.730 -12.701 1.00 1.00 H new ATOM 0 HD3 ARG A 91 -20.357 10.011 -12.588 1.00 1.00 H new ATOM 0 HE ARG A 91 -17.928 10.581 -12.362 1.00 1.00 H new ATOM 0 HH11 ARG A 91 -20.353 13.062 -11.635 1.00 1.00 H new ATOM 0 HH12 ARG A 91 -19.259 13.983 -10.597 1.00 1.00 H new ATOM 0 HH21 ARG A 91 -16.540 11.790 -11.042 1.00 1.00 H new ATOM 0 HH22 ARG A 91 -17.116 13.267 -10.263 1.00 1.00 H new ATOM 1409 N ARG A 92 -16.300 10.803 -15.365 1.00 1.00 N ATOM 1410 CA ARG A 92 -15.630 9.780 -16.134 1.00 1.00 C ATOM 1411 C ARG A 92 -16.417 8.487 -16.001 1.00 1.00 C ATOM 1412 O ARG A 92 -16.919 7.948 -16.980 1.00 1.00 O ATOM 1413 CB ARG A 92 -14.180 9.596 -15.663 1.00 1.00 C ATOM 1414 CG ARG A 92 -13.360 8.591 -16.481 1.00 1.00 C ATOM 1415 CD ARG A 92 -13.006 9.131 -17.864 1.00 1.00 C ATOM 1416 NE ARG A 92 -14.154 9.112 -18.788 1.00 1.00 N ATOM 1417 CZ ARG A 92 -14.372 9.999 -19.771 1.00 1.00 C ATOM 1418 NH1 ARG A 92 -13.532 11.006 -19.976 1.00 1.00 N ATOM 1419 NH2 ARG A 92 -15.437 9.870 -20.548 1.00 1.00 N ATOM 0 H ARG A 92 -16.045 10.840 -14.378 1.00 1.00 H new ATOM 0 HA ARG A 92 -15.588 10.077 -17.182 1.00 1.00 H new ATOM 0 HB2 ARG A 92 -13.678 10.563 -15.693 1.00 1.00 H new ATOM 0 HB3 ARG A 92 -14.189 9.274 -14.622 1.00 1.00 H new ATOM 0 HG2 ARG A 92 -12.444 8.347 -15.942 1.00 1.00 H new ATOM 0 HG3 ARG A 92 -13.924 7.664 -16.587 1.00 1.00 H new ATOM 0 HD2 ARG A 92 -12.638 10.152 -17.768 1.00 1.00 H new ATOM 0 HD3 ARG A 92 -12.195 8.538 -18.285 1.00 1.00 H new ATOM 0 HE ARG A 92 -14.838 8.364 -18.671 1.00 1.00 H new ATOM 0 HH11 ARG A 92 -12.709 11.113 -19.383 1.00 1.00 H new ATOM 0 HH12 ARG A 92 -13.709 11.673 -20.727 1.00 1.00 H new ATOM 0 HH21 ARG A 92 -16.087 9.099 -20.398 1.00 1.00 H new ATOM 0 HH22 ARG A 92 -15.607 10.542 -21.296 1.00 1.00 H new ATOM 1433 N LEU A 93 -16.508 8.011 -14.781 1.00 1.00 N ATOM 1434 CA LEU A 93 -17.275 6.846 -14.418 1.00 1.00 C ATOM 1435 C LEU A 93 -18.000 7.185 -13.115 1.00 1.00 C ATOM 1436 O LEU A 93 -17.727 8.222 -12.516 1.00 1.00 O ATOM 1437 CB LEU A 93 -16.336 5.652 -14.194 1.00 1.00 C ATOM 1438 CG LEU A 93 -15.455 5.235 -15.381 1.00 1.00 C ATOM 1439 CD1 LEU A 93 -14.483 4.157 -14.967 1.00 1.00 C ATOM 1440 CD2 LEU A 93 -16.298 4.747 -16.526 1.00 1.00 C ATOM 0 H LEU A 93 -16.033 8.441 -13.987 1.00 1.00 H new ATOM 0 HA LEU A 93 -17.981 6.580 -15.205 1.00 1.00 H new ATOM 0 HB2 LEU A 93 -15.684 5.885 -13.352 1.00 1.00 H new ATOM 0 HB3 LEU A 93 -16.941 4.794 -13.901 1.00 1.00 H new ATOM 0 HG LEU A 93 -14.895 6.111 -15.707 1.00 1.00 H new ATOM 0 HD11 LEU A 93 -13.868 3.875 -15.821 1.00 1.00 H new ATOM 0 HD12 LEU A 93 -13.844 4.531 -14.167 1.00 1.00 H new ATOM 0 HD13 LEU A 93 -15.035 3.286 -14.613 1.00 1.00 H new ATOM 0 HD21 LEU A 93 -15.653 4.457 -17.355 1.00 1.00 H new ATOM 0 HD22 LEU A 93 -16.885 3.886 -16.205 1.00 1.00 H new ATOM 0 HD23 LEU A 93 -16.969 5.543 -16.849 1.00 1.00 H new ATOM 1452 N ASN A 94 -18.928 6.364 -12.689 1.00 1.00 N ATOM 1453 CA ASN A 94 -19.605 6.618 -11.419 1.00 1.00 C ATOM 1454 C ASN A 94 -18.987 5.763 -10.336 1.00 1.00 C ATOM 1455 O ASN A 94 -18.642 4.622 -10.589 1.00 1.00 O ATOM 1456 CB ASN A 94 -21.113 6.341 -11.522 1.00 1.00 C ATOM 1457 CG ASN A 94 -21.873 7.448 -12.221 1.00 1.00 C ATOM 1458 OD1 ASN A 94 -22.086 7.313 -13.518 1.00 1.00 O flip ATOM 1459 ND2 ASN A 94 -22.280 8.418 -11.591 1.00 1.00 N flip ATOM 0 H ASN A 94 -19.235 5.527 -13.184 1.00 1.00 H new ATOM 0 HA ASN A 94 -19.480 7.671 -11.167 1.00 1.00 H new ATOM 0 HB2 ASN A 94 -21.269 5.406 -12.060 1.00 1.00 H new ATOM 0 HB3 ASN A 94 -21.521 6.205 -10.520 1.00 1.00 H new ATOM 0 HD21 ASN A 94 -22.097 8.489 -10.590 1.00 1.00 H new ATOM 0 HD22 ASN A 94 -22.802 9.154 -12.068 1.00 1.00 H new ATOM 1466 N THR A 95 -18.839 6.315 -9.148 1.00 1.00 N ATOM 1467 CA THR A 95 -18.264 5.621 -8.014 1.00 1.00 C ATOM 1468 C THR A 95 -19.317 5.395 -6.972 1.00 1.00 C ATOM 1469 O THR A 95 -20.448 5.908 -7.098 1.00 1.00 O ATOM 1470 CB THR A 95 -17.210 6.492 -7.366 1.00 1.00 C ATOM 1471 OG1 THR A 95 -17.653 7.853 -7.395 1.00 1.00 O ATOM 1472 CG2 THR A 95 -15.881 6.354 -8.036 1.00 1.00 C ATOM 0 H THR A 95 -19.119 7.274 -8.941 1.00 1.00 H new ATOM 0 HA THR A 95 -17.844 4.680 -8.369 1.00 1.00 H new ATOM 0 HB THR A 95 -17.076 6.167 -6.334 1.00 1.00 H new ATOM 0 HG1 THR A 95 -16.876 8.449 -7.442 1.00 1.00 H new ATOM 0 HG21 THR A 95 -15.154 6.997 -7.539 1.00 1.00 H new ATOM 0 HG22 THR A 95 -15.549 5.317 -7.976 1.00 1.00 H new ATOM 0 HG23 THR A 95 -15.969 6.647 -9.082 1.00 1.00 H new ATOM 1480 N LEU A 96 -18.974 4.659 -5.924 1.00 1.00 N ATOM 1481 CA LEU A 96 -19.905 4.509 -4.841 1.00 1.00 C ATOM 1482 C LEU A 96 -19.927 5.782 -4.025 1.00 1.00 C ATOM 1483 O LEU A 96 -20.928 6.097 -3.398 1.00 1.00 O ATOM 1484 CB LEU A 96 -19.691 3.223 -3.982 1.00 1.00 C ATOM 1485 CG LEU A 96 -18.485 3.135 -3.019 1.00 1.00 C ATOM 1486 CD1 LEU A 96 -18.745 3.869 -1.701 1.00 1.00 C ATOM 1487 CD2 LEU A 96 -18.164 1.683 -2.735 1.00 1.00 C ATOM 0 H LEU A 96 -18.084 4.174 -5.811 1.00 1.00 H new ATOM 0 HA LEU A 96 -20.894 4.352 -5.272 1.00 1.00 H new ATOM 0 HB2 LEU A 96 -20.593 3.075 -3.388 1.00 1.00 H new ATOM 0 HB3 LEU A 96 -19.620 2.380 -4.670 1.00 1.00 H new ATOM 0 HG LEU A 96 -17.639 3.619 -3.507 1.00 1.00 H new ATOM 0 HD11 LEU A 96 -17.871 3.780 -1.056 1.00 1.00 H new ATOM 0 HD12 LEU A 96 -18.941 4.922 -1.903 1.00 1.00 H new ATOM 0 HD13 LEU A 96 -19.609 3.428 -1.203 1.00 1.00 H new ATOM 0 HD21 LEU A 96 -17.313 1.625 -2.056 1.00 1.00 H new ATOM 0 HD22 LEU A 96 -19.028 1.202 -2.276 1.00 1.00 H new ATOM 0 HD23 LEU A 96 -17.919 1.175 -3.668 1.00 1.00 H new ATOM 1499 N GLN A 97 -18.806 6.541 -4.055 1.00 1.00 N ATOM 1500 CA GLN A 97 -18.750 7.833 -3.361 1.00 1.00 C ATOM 1501 C GLN A 97 -19.687 8.847 -3.976 1.00 1.00 C ATOM 1502 O GLN A 97 -20.124 9.766 -3.305 1.00 1.00 O ATOM 1503 CB GLN A 97 -17.345 8.394 -3.287 1.00 1.00 C ATOM 1504 CG GLN A 97 -16.752 8.858 -4.585 1.00 1.00 C ATOM 1505 CD GLN A 97 -15.270 8.872 -4.494 1.00 1.00 C ATOM 1506 OE1 GLN A 97 -14.641 9.907 -4.236 1.00 1.00 O ATOM 1507 NE2 GLN A 97 -14.706 7.727 -4.674 1.00 1.00 N ATOM 0 H GLN A 97 -17.949 6.282 -4.544 1.00 1.00 H new ATOM 0 HA GLN A 97 -19.081 7.635 -2.341 1.00 1.00 H new ATOM 0 HB2 GLN A 97 -17.346 9.233 -2.591 1.00 1.00 H new ATOM 0 HB3 GLN A 97 -16.692 7.630 -2.865 1.00 1.00 H new ATOM 0 HG2 GLN A 97 -17.068 8.199 -5.394 1.00 1.00 H new ATOM 0 HG3 GLN A 97 -17.119 9.856 -4.825 1.00 1.00 H new ATOM 0 HE21 GLN A 97 -15.274 6.906 -4.884 1.00 1.00 H new ATOM 0 HE22 GLN A 97 -13.692 7.642 -4.606 1.00 1.00 H new ATOM 1516 N HIS A 98 -19.992 8.671 -5.257 1.00 1.00 N ATOM 1517 CA HIS A 98 -20.877 9.596 -5.956 1.00 1.00 C ATOM 1518 C HIS A 98 -22.245 9.590 -5.292 1.00 1.00 C ATOM 1519 O HIS A 98 -22.858 10.631 -5.104 1.00 1.00 O ATOM 1520 CB HIS A 98 -20.998 9.256 -7.462 1.00 1.00 C ATOM 1521 CG HIS A 98 -21.725 10.314 -8.271 1.00 1.00 C ATOM 1522 ND1 HIS A 98 -22.599 10.028 -9.304 1.00 1.00 N ATOM 1523 CD2 HIS A 98 -21.701 11.666 -8.180 1.00 1.00 C ATOM 1524 CE1 HIS A 98 -23.067 11.152 -9.808 1.00 1.00 C ATOM 1525 NE2 HIS A 98 -22.540 12.155 -9.144 1.00 1.00 N ATOM 0 H HIS A 98 -19.643 7.902 -5.829 1.00 1.00 H new ATOM 0 HA HIS A 98 -20.445 10.595 -5.890 1.00 1.00 H new ATOM 0 HB2 HIS A 98 -19.999 9.118 -7.875 1.00 1.00 H new ATOM 0 HB3 HIS A 98 -21.521 8.306 -7.570 1.00 1.00 H new ATOM 0 HD2 HIS A 98 -21.126 12.250 -7.476 1.00 1.00 H new ATOM 0 HE1 HIS A 98 -23.765 11.234 -10.628 1.00 1.00 H new ATOM 0 HE2 HIS A 98 -22.727 13.142 -9.319 1.00 1.00 H new ATOM 1534 N TYR A 99 -22.704 8.412 -4.931 1.00 1.00 N ATOM 1535 CA TYR A 99 -23.975 8.279 -4.246 1.00 1.00 C ATOM 1536 C TYR A 99 -23.774 8.178 -2.744 1.00 1.00 C ATOM 1537 O TYR A 99 -24.735 8.235 -1.978 1.00 1.00 O ATOM 1538 CB TYR A 99 -24.710 7.050 -4.761 1.00 1.00 C ATOM 1539 CG TYR A 99 -25.171 7.186 -6.192 1.00 1.00 C ATOM 1540 CD1 TYR A 99 -24.310 6.932 -7.256 1.00 1.00 C ATOM 1541 CD2 TYR A 99 -26.466 7.572 -6.480 1.00 1.00 C ATOM 1542 CE1 TYR A 99 -24.737 7.058 -8.562 1.00 1.00 C ATOM 1543 CE2 TYR A 99 -26.900 7.699 -7.779 1.00 1.00 C ATOM 1544 CZ TYR A 99 -26.034 7.441 -8.818 1.00 1.00 C ATOM 1545 OH TYR A 99 -26.471 7.556 -10.120 1.00 1.00 O ATOM 0 H TYR A 99 -22.218 7.531 -5.099 1.00 1.00 H new ATOM 0 HA TYR A 99 -24.573 9.168 -4.448 1.00 1.00 H new ATOM 0 HB2 TYR A 99 -24.055 6.182 -4.678 1.00 1.00 H new ATOM 0 HB3 TYR A 99 -25.574 6.859 -4.125 1.00 1.00 H new ATOM 0 HD1 TYR A 99 -23.292 6.632 -7.056 1.00 1.00 H new ATOM 0 HD2 TYR A 99 -27.150 7.778 -5.670 1.00 1.00 H new ATOM 0 HE1 TYR A 99 -24.058 6.857 -9.378 1.00 1.00 H new ATOM 0 HE2 TYR A 99 -27.917 8.000 -7.983 1.00 1.00 H new ATOM 0 HH TYR A 99 -27.411 7.834 -10.126 1.00 1.00 H new ATOM 1555 N LYS A 100 -22.512 8.052 -2.348 1.00 1.00 N ATOM 1556 CA LYS A 100 -22.082 7.873 -0.986 1.00 1.00 C ATOM 1557 C LYS A 100 -22.869 6.845 -0.235 1.00 1.00 C ATOM 1558 O LYS A 100 -23.759 7.153 0.562 1.00 1.00 O ATOM 1559 CB LYS A 100 -21.879 9.166 -0.208 1.00 1.00 C ATOM 1560 CG LYS A 100 -20.407 9.516 -0.034 1.00 1.00 C ATOM 1561 CD LYS A 100 -19.650 8.357 0.623 1.00 1.00 C ATOM 1562 CE LYS A 100 -18.242 8.742 1.073 1.00 1.00 C ATOM 1563 NZ LYS A 100 -17.296 8.890 -0.049 1.00 1.00 N ATOM 0 H LYS A 100 -21.733 8.074 -3.006 1.00 1.00 H new ATOM 0 HA LYS A 100 -21.079 7.457 -1.083 1.00 1.00 H new ATOM 0 HB2 LYS A 100 -22.384 9.981 -0.726 1.00 1.00 H new ATOM 0 HB3 LYS A 100 -22.346 9.073 0.773 1.00 1.00 H new ATOM 0 HG2 LYS A 100 -19.965 9.743 -1.004 1.00 1.00 H new ATOM 0 HG3 LYS A 100 -20.311 10.413 0.578 1.00 1.00 H new ATOM 0 HD2 LYS A 100 -20.216 8.002 1.484 1.00 1.00 H new ATOM 0 HD3 LYS A 100 -19.586 7.527 -0.080 1.00 1.00 H new ATOM 0 HE2 LYS A 100 -18.288 9.679 1.628 1.00 1.00 H new ATOM 0 HE3 LYS A 100 -17.866 7.983 1.760 1.00 1.00 H new ATOM 0 HZ1 LYS A 100 -16.327 8.966 0.321 1.00 1.00 H new ATOM 0 HZ2 LYS A 100 -17.364 8.060 -0.672 1.00 1.00 H new ATOM 0 HZ3 LYS A 100 -17.529 9.748 -0.588 1.00 1.00 H new ATOM 1577 N VAL A 101 -22.583 5.628 -0.531 1.00 1.00 N ATOM 1578 CA VAL A 101 -23.236 4.541 0.143 1.00 1.00 C ATOM 1579 C VAL A 101 -22.548 4.185 1.479 1.00 1.00 C ATOM 1580 O VAL A 101 -21.339 4.397 1.651 1.00 1.00 O ATOM 1581 CB VAL A 101 -23.389 3.297 -0.763 1.00 1.00 C ATOM 1582 CG1 VAL A 101 -23.635 3.713 -2.196 1.00 1.00 C ATOM 1583 CG2 VAL A 101 -22.206 2.345 -0.659 1.00 1.00 C ATOM 0 H VAL A 101 -21.901 5.349 -1.236 1.00 1.00 H new ATOM 0 HA VAL A 101 -24.241 4.890 0.381 1.00 1.00 H new ATOM 0 HB VAL A 101 -24.258 2.744 -0.406 1.00 1.00 H new ATOM 0 HG11 VAL A 101 -23.740 2.825 -2.820 1.00 1.00 H new ATOM 0 HG12 VAL A 101 -24.548 4.306 -2.251 1.00 1.00 H new ATOM 0 HG13 VAL A 101 -22.794 4.308 -2.551 1.00 1.00 H new ATOM 0 HG21 VAL A 101 -22.368 1.490 -1.316 1.00 1.00 H new ATOM 0 HG22 VAL A 101 -21.294 2.864 -0.956 1.00 1.00 H new ATOM 0 HG23 VAL A 101 -22.107 1.998 0.370 1.00 1.00 H new ATOM 1593 N PRO A 102 -23.327 3.684 2.440 1.00 1.00 N ATOM 1594 CA PRO A 102 -22.829 3.276 3.751 1.00 1.00 C ATOM 1595 C PRO A 102 -22.202 1.889 3.732 1.00 1.00 C ATOM 1596 O PRO A 102 -22.385 1.117 2.774 1.00 1.00 O ATOM 1597 CB PRO A 102 -24.084 3.274 4.602 1.00 1.00 C ATOM 1598 CG PRO A 102 -25.159 2.879 3.656 1.00 1.00 C ATOM 1599 CD PRO A 102 -24.781 3.470 2.328 1.00 1.00 C ATOM 0 HA PRO A 102 -22.041 3.935 4.114 1.00 1.00 H new ATOM 0 HB2 PRO A 102 -24.003 2.571 5.431 1.00 1.00 H new ATOM 0 HB3 PRO A 102 -24.274 4.256 5.035 1.00 1.00 H new ATOM 0 HG2 PRO A 102 -25.242 1.794 3.591 1.00 1.00 H new ATOM 0 HG3 PRO A 102 -26.127 3.253 3.988 1.00 1.00 H new ATOM 0 HD2 PRO A 102 -25.024 2.796 1.506 1.00 1.00 H new ATOM 0 HD3 PRO A 102 -25.310 4.405 2.141 1.00 1.00 H new ATOM 1607 N ASP A 103 -21.465 1.575 4.783 1.00 1.00 N ATOM 1608 CA ASP A 103 -20.858 0.263 4.924 1.00 1.00 C ATOM 1609 C ASP A 103 -21.933 -0.771 5.053 1.00 1.00 C ATOM 1610 O ASP A 103 -22.766 -0.711 5.966 1.00 1.00 O ATOM 1611 CB ASP A 103 -19.939 0.186 6.153 1.00 1.00 C ATOM 1612 CG ASP A 103 -18.475 0.374 5.825 1.00 1.00 C ATOM 1613 OD1 ASP A 103 -17.903 -0.484 5.113 1.00 1.00 O ATOM 1614 OD2 ASP A 103 -17.865 1.374 6.294 1.00 1.00 O ATOM 0 H ASP A 103 -21.272 2.214 5.554 1.00 1.00 H new ATOM 0 HA ASP A 103 -20.253 0.080 4.036 1.00 1.00 H new ATOM 0 HB2 ASP A 103 -20.243 0.947 6.872 1.00 1.00 H new ATOM 0 HB3 ASP A 103 -20.073 -0.781 6.637 1.00 1.00 H new ATOM 1619 N GLY A 104 -21.949 -1.683 4.141 1.00 1.00 N ATOM 1620 CA GLY A 104 -22.910 -2.749 4.187 1.00 1.00 C ATOM 1621 C GLY A 104 -24.011 -2.535 3.196 1.00 1.00 C ATOM 1622 O GLY A 104 -25.095 -3.116 3.324 1.00 1.00 O ATOM 0 H GLY A 104 -21.308 -1.718 3.349 1.00 1.00 H new ATOM 0 HA2 GLY A 104 -22.414 -3.698 3.982 1.00 1.00 H new ATOM 0 HA3 GLY A 104 -23.330 -2.819 5.190 1.00 1.00 H new ATOM 1626 N ALA A 105 -23.751 -1.682 2.208 1.00 1.00 N ATOM 1627 CA ALA A 105 -24.715 -1.427 1.169 1.00 1.00 C ATOM 1628 C ALA A 105 -24.912 -2.671 0.319 1.00 1.00 C ATOM 1629 O ALA A 105 -24.033 -3.534 0.235 1.00 1.00 O ATOM 1630 CB ALA A 105 -24.293 -0.260 0.321 1.00 1.00 C ATOM 0 H ALA A 105 -22.879 -1.162 2.115 1.00 1.00 H new ATOM 0 HA ALA A 105 -25.667 -1.173 1.635 1.00 1.00 H new ATOM 0 HB1 ALA A 105 -25.037 -0.087 -0.457 1.00 1.00 H new ATOM 0 HB2 ALA A 105 -24.206 0.630 0.944 1.00 1.00 H new ATOM 0 HB3 ALA A 105 -23.329 -0.475 -0.141 1.00 1.00 H new ATOM 1636 N THR A 106 -26.031 -2.764 -0.300 1.00 1.00 N ATOM 1637 CA THR A 106 -26.373 -3.933 -1.042 1.00 1.00 C ATOM 1638 C THR A 106 -26.568 -3.582 -2.504 1.00 1.00 C ATOM 1639 O THR A 106 -27.231 -2.622 -2.829 1.00 1.00 O ATOM 1640 CB THR A 106 -27.662 -4.558 -0.462 1.00 1.00 C ATOM 1641 OG1 THR A 106 -27.467 -4.800 0.943 1.00 1.00 O ATOM 1642 CG2 THR A 106 -27.999 -5.875 -1.155 1.00 1.00 C ATOM 0 H THR A 106 -26.742 -2.032 -0.310 1.00 1.00 H new ATOM 0 HA THR A 106 -25.563 -4.658 -0.965 1.00 1.00 H new ATOM 0 HB THR A 106 -28.488 -3.866 -0.624 1.00 1.00 H new ATOM 0 HG1 THR A 106 -28.279 -5.195 1.323 1.00 1.00 H new ATOM 0 HG21 THR A 106 -28.911 -6.290 -0.725 1.00 1.00 H new ATOM 0 HG22 THR A 106 -28.148 -5.698 -2.220 1.00 1.00 H new ATOM 0 HG23 THR A 106 -27.179 -6.580 -1.016 1.00 1.00 H new ATOM 1650 N VAL A 107 -25.966 -4.323 -3.370 1.00 1.00 N ATOM 1651 CA VAL A 107 -26.140 -4.084 -4.765 1.00 1.00 C ATOM 1652 C VAL A 107 -26.871 -5.219 -5.373 1.00 1.00 C ATOM 1653 O VAL A 107 -26.659 -6.371 -4.997 1.00 1.00 O ATOM 1654 CB VAL A 107 -24.813 -3.856 -5.522 1.00 1.00 C ATOM 1655 CG1 VAL A 107 -24.111 -2.663 -4.963 1.00 1.00 C ATOM 1656 CG2 VAL A 107 -23.907 -5.086 -5.493 1.00 1.00 C ATOM 0 H VAL A 107 -25.348 -5.101 -3.138 1.00 1.00 H new ATOM 0 HA VAL A 107 -26.712 -3.161 -4.856 1.00 1.00 H new ATOM 0 HB VAL A 107 -25.055 -3.674 -6.569 1.00 1.00 H new ATOM 0 HG11 VAL A 107 -23.176 -2.506 -5.500 1.00 1.00 H new ATOM 0 HG12 VAL A 107 -24.745 -1.783 -5.074 1.00 1.00 H new ATOM 0 HG13 VAL A 107 -23.899 -2.827 -3.906 1.00 1.00 H new ATOM 0 HG21 VAL A 107 -22.988 -4.874 -6.039 1.00 1.00 H new ATOM 0 HG22 VAL A 107 -23.666 -5.336 -4.460 1.00 1.00 H new ATOM 0 HG23 VAL A 107 -24.420 -5.927 -5.960 1.00 1.00 H new ATOM 1666 N ALA A 108 -27.760 -4.914 -6.241 1.00 1.00 N ATOM 1667 CA ALA A 108 -28.451 -5.925 -6.939 1.00 1.00 C ATOM 1668 C ALA A 108 -28.303 -5.693 -8.388 1.00 1.00 C ATOM 1669 O ALA A 108 -28.707 -4.678 -8.902 1.00 1.00 O ATOM 1670 CB ALA A 108 -29.882 -5.963 -6.573 1.00 1.00 C ATOM 0 H ALA A 108 -28.027 -3.961 -6.486 1.00 1.00 H new ATOM 0 HA ALA A 108 -28.022 -6.889 -6.667 1.00 1.00 H new ATOM 0 HB1 ALA A 108 -30.380 -6.755 -7.132 1.00 1.00 H new ATOM 0 HB2 ALA A 108 -29.979 -6.157 -5.505 1.00 1.00 H new ATOM 0 HB3 ALA A 108 -30.344 -5.005 -6.812 1.00 1.00 H new ATOM 1676 N LEU A 109 -27.766 -6.624 -9.039 1.00 1.00 N ATOM 1677 CA LEU A 109 -27.466 -6.468 -10.433 1.00 1.00 C ATOM 1678 C LEU A 109 -28.414 -7.249 -11.266 1.00 1.00 C ATOM 1679 O LEU A 109 -28.839 -8.349 -10.881 1.00 1.00 O ATOM 1680 CB LEU A 109 -25.980 -6.773 -10.762 1.00 1.00 C ATOM 1681 CG LEU A 109 -25.423 -8.156 -10.392 1.00 1.00 C ATOM 1682 CD1 LEU A 109 -25.652 -9.158 -11.517 1.00 1.00 C ATOM 1683 CD2 LEU A 109 -23.940 -8.052 -10.070 1.00 1.00 C ATOM 0 H LEU A 109 -27.510 -7.529 -8.645 1.00 1.00 H new ATOM 0 HA LEU A 109 -27.604 -5.416 -10.684 1.00 1.00 H new ATOM 0 HB2 LEU A 109 -25.841 -6.634 -11.834 1.00 1.00 H new ATOM 0 HB3 LEU A 109 -25.368 -6.023 -10.262 1.00 1.00 H new ATOM 0 HG LEU A 109 -25.954 -8.514 -9.510 1.00 1.00 H new ATOM 0 HD11 LEU A 109 -25.248 -10.128 -11.228 1.00 1.00 H new ATOM 0 HD12 LEU A 109 -26.721 -9.253 -11.708 1.00 1.00 H new ATOM 0 HD13 LEU A 109 -25.151 -8.811 -12.421 1.00 1.00 H new ATOM 0 HD21 LEU A 109 -23.554 -9.038 -9.809 1.00 1.00 H new ATOM 0 HD22 LEU A 109 -23.405 -7.672 -10.940 1.00 1.00 H new ATOM 0 HD23 LEU A 109 -23.797 -7.372 -9.230 1.00 1.00 H new ATOM 1695 N VAL A 110 -28.783 -6.687 -12.369 1.00 1.00 N ATOM 1696 CA VAL A 110 -29.713 -7.290 -13.253 1.00 1.00 C ATOM 1697 C VAL A 110 -29.184 -7.207 -14.688 1.00 1.00 C ATOM 1698 O VAL A 110 -28.620 -6.192 -15.086 1.00 1.00 O ATOM 1699 CB VAL A 110 -31.114 -6.611 -13.143 1.00 1.00 C ATOM 1700 CG1 VAL A 110 -31.747 -6.892 -11.819 1.00 1.00 C ATOM 1701 CG2 VAL A 110 -31.025 -5.123 -13.334 1.00 1.00 C ATOM 0 H VAL A 110 -28.438 -5.780 -12.683 1.00 1.00 H new ATOM 0 HA VAL A 110 -29.832 -8.337 -12.975 1.00 1.00 H new ATOM 0 HB VAL A 110 -31.729 -7.034 -13.937 1.00 1.00 H new ATOM 0 HG11 VAL A 110 -32.722 -6.406 -11.771 1.00 1.00 H new ATOM 0 HG12 VAL A 110 -31.871 -7.968 -11.696 1.00 1.00 H new ATOM 0 HG13 VAL A 110 -31.110 -6.507 -11.022 1.00 1.00 H new ATOM 0 HG21 VAL A 110 -32.020 -4.685 -13.251 1.00 1.00 H new ATOM 0 HG22 VAL A 110 -30.376 -4.696 -12.570 1.00 1.00 H new ATOM 0 HG23 VAL A 110 -30.615 -4.907 -14.321 1.00 1.00 H new ATOM 1711 N PRO A 111 -29.307 -8.286 -15.462 1.00 1.00 N ATOM 1712 CA PRO A 111 -28.849 -8.305 -16.843 1.00 1.00 C ATOM 1713 C PRO A 111 -29.777 -7.503 -17.755 1.00 1.00 C ATOM 1714 O PRO A 111 -30.698 -8.067 -18.372 1.00 1.00 O ATOM 1715 CB PRO A 111 -28.872 -9.794 -17.205 1.00 1.00 C ATOM 1716 CG PRO A 111 -29.913 -10.382 -16.316 1.00 1.00 C ATOM 1717 CD PRO A 111 -29.885 -9.574 -15.051 1.00 1.00 C ATOM 0 HA PRO A 111 -27.866 -7.850 -16.965 1.00 1.00 H new ATOM 0 HB2 PRO A 111 -29.119 -9.942 -18.256 1.00 1.00 H new ATOM 0 HB3 PRO A 111 -27.900 -10.258 -17.037 1.00 1.00 H new ATOM 0 HG2 PRO A 111 -30.896 -10.338 -16.785 1.00 1.00 H new ATOM 0 HG3 PRO A 111 -29.704 -11.432 -16.112 1.00 1.00 H new ATOM 0 HD2 PRO A 111 -30.885 -9.448 -14.636 1.00 1.00 H new ATOM 0 HD3 PRO A 111 -29.280 -10.056 -14.283 1.00 1.00 H new ATOM 1725 N CYS A 112 -29.540 -6.184 -17.794 1.00 1.00 N ATOM 1726 CA CYS A 112 -30.288 -5.222 -18.594 1.00 1.00 C ATOM 1727 C CYS A 112 -31.765 -5.361 -18.334 1.00 1.00 C ATOM 1728 O CYS A 112 -32.546 -5.690 -19.219 1.00 1.00 O ATOM 1729 CB CYS A 112 -29.923 -5.274 -20.105 1.00 1.00 C ATOM 1730 SG CYS A 112 -30.209 -6.856 -20.951 1.00 1.00 S ATOM 0 H CYS A 112 -28.796 -5.750 -17.249 1.00 1.00 H new ATOM 0 HA CYS A 112 -29.992 -4.222 -18.276 1.00 1.00 H new ATOM 0 HB2 CYS A 112 -30.494 -4.502 -20.621 1.00 1.00 H new ATOM 0 HB3 CYS A 112 -28.869 -5.015 -20.211 1.00 1.00 H new ATOM 0 HG CYS A 112 -30.591 -7.748 -20.086 1.00 1.00 H new ATOM 1736 N LEU A 113 -32.140 -5.133 -17.104 1.00 1.00 N ATOM 1737 CA LEU A 113 -33.499 -5.377 -16.705 1.00 1.00 C ATOM 1738 C LEU A 113 -34.258 -4.098 -16.403 1.00 1.00 C ATOM 1739 O LEU A 113 -35.370 -3.908 -16.897 1.00 1.00 O ATOM 1740 CB LEU A 113 -33.544 -6.366 -15.535 1.00 1.00 C ATOM 1741 CG LEU A 113 -34.736 -7.334 -15.471 1.00 1.00 C ATOM 1742 CD1 LEU A 113 -36.000 -6.621 -15.040 1.00 1.00 C ATOM 1743 CD2 LEU A 113 -34.935 -8.023 -16.816 1.00 1.00 C ATOM 0 H LEU A 113 -31.529 -4.782 -16.367 1.00 1.00 H new ATOM 0 HA LEU A 113 -34.014 -5.831 -17.552 1.00 1.00 H new ATOM 0 HB2 LEU A 113 -32.630 -6.959 -15.560 1.00 1.00 H new ATOM 0 HB3 LEU A 113 -33.526 -5.792 -14.608 1.00 1.00 H new ATOM 0 HG LEU A 113 -34.514 -8.094 -14.722 1.00 1.00 H new ATOM 0 HD11 LEU A 113 -36.825 -7.333 -15.004 1.00 1.00 H new ATOM 0 HD12 LEU A 113 -35.853 -6.186 -14.051 1.00 1.00 H new ATOM 0 HD13 LEU A 113 -36.233 -5.831 -15.753 1.00 1.00 H new ATOM 0 HD21 LEU A 113 -35.783 -8.705 -16.753 1.00 1.00 H new ATOM 0 HD22 LEU A 113 -35.128 -7.274 -17.584 1.00 1.00 H new ATOM 0 HD23 LEU A 113 -34.037 -8.584 -17.074 1.00 1.00 H new ATOM 1755 N THR A 114 -33.689 -3.215 -15.626 1.00 1.00 N ATOM 1756 CA THR A 114 -34.415 -1.999 -15.305 1.00 1.00 C ATOM 1757 C THR A 114 -33.765 -0.773 -15.914 1.00 1.00 C ATOM 1758 O THR A 114 -34.157 0.377 -15.655 1.00 1.00 O ATOM 1759 CB THR A 114 -34.754 -1.827 -13.785 1.00 1.00 C ATOM 1760 OG1 THR A 114 -35.511 -0.614 -13.577 1.00 1.00 O ATOM 1761 CG2 THR A 114 -33.504 -1.806 -12.927 1.00 1.00 C ATOM 0 H THR A 114 -32.760 -3.300 -15.213 1.00 1.00 H new ATOM 0 HA THR A 114 -35.390 -2.110 -15.780 1.00 1.00 H new ATOM 0 HB THR A 114 -35.352 -2.687 -13.484 1.00 1.00 H new ATOM 0 HG1 THR A 114 -35.244 0.056 -14.241 1.00 1.00 H new ATOM 0 HG21 THR A 114 -33.783 -1.685 -11.880 1.00 1.00 H new ATOM 0 HG22 THR A 114 -32.961 -2.743 -13.052 1.00 1.00 H new ATOM 0 HG23 THR A 114 -32.868 -0.975 -13.231 1.00 1.00 H new ATOM 1769 N LYS A 115 -32.801 -1.020 -16.721 1.00 1.00 N ATOM 1770 CA LYS A 115 -32.172 -0.003 -17.476 1.00 1.00 C ATOM 1771 C LYS A 115 -32.195 -0.410 -18.922 1.00 1.00 C ATOM 1772 O LYS A 115 -31.614 -1.424 -19.312 1.00 1.00 O ATOM 1773 CB LYS A 115 -30.750 0.235 -16.989 1.00 1.00 C ATOM 1774 CG LYS A 115 -30.082 1.497 -17.524 1.00 1.00 C ATOM 1775 CD LYS A 115 -29.272 1.228 -18.792 1.00 1.00 C ATOM 1776 CE LYS A 115 -28.186 0.172 -18.575 1.00 1.00 C ATOM 1777 NZ LYS A 115 -27.312 0.054 -19.759 1.00 1.00 N ATOM 0 H LYS A 115 -32.420 -1.953 -16.878 1.00 1.00 H new ATOM 0 HA LYS A 115 -32.708 0.938 -17.353 1.00 1.00 H new ATOM 0 HB2 LYS A 115 -30.759 0.282 -15.900 1.00 1.00 H new ATOM 0 HB3 LYS A 115 -30.140 -0.625 -17.266 1.00 1.00 H new ATOM 0 HG2 LYS A 115 -30.844 2.248 -17.734 1.00 1.00 H new ATOM 0 HG3 LYS A 115 -29.427 1.912 -16.758 1.00 1.00 H new ATOM 0 HD2 LYS A 115 -29.943 0.898 -19.586 1.00 1.00 H new ATOM 0 HD3 LYS A 115 -28.811 2.156 -19.129 1.00 1.00 H new ATOM 0 HE2 LYS A 115 -27.588 0.436 -17.703 1.00 1.00 H new ATOM 0 HE3 LYS A 115 -28.649 -0.792 -18.364 1.00 1.00 H new ATOM 0 HZ1 LYS A 115 -26.420 -0.408 -19.488 1.00 1.00 H new ATOM 0 HZ2 LYS A 115 -27.789 -0.515 -20.487 1.00 1.00 H new ATOM 0 HZ3 LYS A 115 -27.110 1.001 -20.137 1.00 1.00 H new ATOM 1791 N HIS A 116 -32.887 0.349 -19.686 1.00 1.00 N ATOM 1792 CA HIS A 116 -33.040 0.152 -21.109 1.00 1.00 C ATOM 1793 C HIS A 116 -33.092 1.513 -21.715 1.00 1.00 C ATOM 1794 O HIS A 116 -32.682 2.488 -21.071 1.00 1.00 O ATOM 1795 CB HIS A 116 -34.372 -0.578 -21.419 1.00 1.00 C ATOM 1796 CG HIS A 116 -34.423 -2.028 -21.044 1.00 1.00 C ATOM 1797 ND1 HIS A 116 -34.111 -3.035 -21.914 1.00 1.00 N ATOM 1798 CD2 HIS A 116 -34.788 -2.633 -19.893 1.00 1.00 C ATOM 1799 CE1 HIS A 116 -34.282 -4.192 -21.325 1.00 1.00 C ATOM 1800 NE2 HIS A 116 -34.694 -3.980 -20.096 1.00 1.00 N ATOM 0 H HIS A 116 -33.391 1.165 -19.338 1.00 1.00 H new ATOM 0 HA HIS A 116 -32.221 -0.449 -21.503 1.00 1.00 H new ATOM 0 HB2 HIS A 116 -35.178 -0.059 -20.900 1.00 1.00 H new ATOM 0 HB3 HIS A 116 -34.572 -0.491 -22.487 1.00 1.00 H new ATOM 0 HD2 HIS A 116 -35.097 -2.143 -18.982 1.00 1.00 H new ATOM 0 HE1 HIS A 116 -34.113 -5.159 -21.775 1.00 1.00 H new ATOM 0 HE2 HIS A 116 -34.908 -4.702 -19.408 1.00 1.00 H new ATOM 1809 N VAL A 117 -33.543 1.604 -22.930 1.00 1.00 N ATOM 1810 CA VAL A 117 -33.843 2.895 -23.489 1.00 1.00 C ATOM 1811 C VAL A 117 -35.053 3.429 -22.741 1.00 1.00 C ATOM 1812 O VAL A 117 -35.939 2.641 -22.359 1.00 1.00 O ATOM 1813 CB VAL A 117 -34.111 2.864 -25.015 1.00 1.00 C ATOM 1814 CG1 VAL A 117 -32.823 2.581 -25.778 1.00 1.00 C ATOM 1815 CG2 VAL A 117 -35.181 1.841 -25.378 1.00 1.00 C ATOM 0 H VAL A 117 -33.711 0.812 -23.550 1.00 1.00 H new ATOM 0 HA VAL A 117 -32.974 3.542 -23.370 1.00 1.00 H new ATOM 0 HB VAL A 117 -34.483 3.847 -25.304 1.00 1.00 H new ATOM 0 HG11 VAL A 117 -33.030 2.563 -26.848 1.00 1.00 H new ATOM 0 HG12 VAL A 117 -32.094 3.362 -25.563 1.00 1.00 H new ATOM 0 HG13 VAL A 117 -32.422 1.615 -25.470 1.00 1.00 H new ATOM 0 HG21 VAL A 117 -35.341 1.849 -26.456 1.00 1.00 H new ATOM 0 HG22 VAL A 117 -34.856 0.848 -25.067 1.00 1.00 H new ATOM 0 HG23 VAL A 117 -36.112 2.093 -24.871 1.00 1.00 H new ATOM 1825 N LEU A 118 -35.087 4.722 -22.511 1.00 1.00 N ATOM 1826 CA LEU A 118 -36.112 5.327 -21.657 1.00 1.00 C ATOM 1827 C LEU A 118 -37.525 4.984 -22.113 1.00 1.00 C ATOM 1828 O LEU A 118 -37.954 5.374 -23.203 1.00 1.00 O ATOM 1829 CB LEU A 118 -35.924 6.843 -21.575 1.00 1.00 C ATOM 1830 CG LEU A 118 -34.583 7.322 -21.005 1.00 1.00 C ATOM 1831 CD1 LEU A 118 -34.520 8.835 -21.000 1.00 1.00 C ATOM 1832 CD2 LEU A 118 -34.355 6.767 -19.601 1.00 1.00 C ATOM 0 H LEU A 118 -34.418 5.387 -22.900 1.00 1.00 H new ATOM 0 HA LEU A 118 -35.986 4.903 -20.661 1.00 1.00 H new ATOM 0 HB2 LEU A 118 -36.041 7.259 -22.576 1.00 1.00 H new ATOM 0 HB3 LEU A 118 -36.725 7.256 -20.963 1.00 1.00 H new ATOM 0 HG LEU A 118 -33.787 6.945 -21.647 1.00 1.00 H new ATOM 0 HD11 LEU A 118 -33.562 9.158 -20.592 1.00 1.00 H new ATOM 0 HD12 LEU A 118 -34.625 9.207 -22.019 1.00 1.00 H new ATOM 0 HD13 LEU A 118 -35.328 9.231 -20.385 1.00 1.00 H new ATOM 0 HD21 LEU A 118 -33.397 7.122 -19.221 1.00 1.00 H new ATOM 0 HD22 LEU A 118 -35.155 7.105 -18.942 1.00 1.00 H new ATOM 0 HD23 LEU A 118 -34.350 5.678 -19.637 1.00 1.00 H new ATOM 1844 N ARG A 119 -38.244 4.238 -21.264 1.00 1.00 N ATOM 1845 CA ARG A 119 -39.619 3.830 -21.564 1.00 1.00 C ATOM 1846 C ARG A 119 -40.565 5.003 -21.465 1.00 1.00 C ATOM 1847 O ARG A 119 -41.641 5.012 -22.081 1.00 1.00 O ATOM 1848 CB ARG A 119 -40.094 2.669 -20.671 1.00 1.00 C ATOM 1849 CG ARG A 119 -39.694 2.786 -19.215 1.00 1.00 C ATOM 1850 CD ARG A 119 -40.400 1.766 -18.341 1.00 1.00 C ATOM 1851 NE ARG A 119 -40.176 0.379 -18.765 1.00 1.00 N ATOM 1852 CZ ARG A 119 -40.660 -0.689 -18.119 1.00 1.00 C ATOM 1853 NH1 ARG A 119 -41.311 -0.540 -16.971 1.00 1.00 N ATOM 1854 NH2 ARG A 119 -40.487 -1.900 -18.611 1.00 1.00 N ATOM 0 H ARG A 119 -37.895 3.906 -20.365 1.00 1.00 H new ATOM 0 HA ARG A 119 -39.623 3.466 -22.591 1.00 1.00 H new ATOM 0 HB2 ARG A 119 -41.180 2.603 -20.731 1.00 1.00 H new ATOM 0 HB3 ARG A 119 -39.696 1.736 -21.069 1.00 1.00 H new ATOM 0 HG2 ARG A 119 -38.616 2.654 -19.125 1.00 1.00 H new ATOM 0 HG3 ARG A 119 -39.924 3.789 -18.857 1.00 1.00 H new ATOM 0 HD2 ARG A 119 -40.060 1.883 -17.312 1.00 1.00 H new ATOM 0 HD3 ARG A 119 -41.470 1.972 -18.348 1.00 1.00 H new ATOM 0 HE ARG A 119 -39.617 0.219 -19.603 1.00 1.00 H new ATOM 0 HH11 ARG A 119 -41.444 0.392 -16.577 1.00 1.00 H new ATOM 0 HH12 ARG A 119 -41.678 -1.357 -16.483 1.00 1.00 H new ATOM 0 HH21 ARG A 119 -39.982 -2.027 -19.488 1.00 1.00 H new ATOM 0 HH22 ARG A 119 -40.858 -2.710 -18.114 1.00 1.00 H new ATOM 1868 N GLU A 120 -40.174 6.002 -20.713 1.00 1.00 N ATOM 1869 CA GLU A 120 -40.964 7.189 -20.586 1.00 1.00 C ATOM 1870 C GLU A 120 -40.624 8.155 -21.718 1.00 1.00 C ATOM 1871 O GLU A 120 -39.983 9.185 -21.524 1.00 1.00 O ATOM 1872 CB GLU A 120 -40.778 7.824 -19.210 1.00 1.00 C ATOM 1873 CG GLU A 120 -41.691 8.998 -18.944 1.00 1.00 C ATOM 1874 CD GLU A 120 -41.634 9.452 -17.524 1.00 1.00 C ATOM 1875 OE1 GLU A 120 -40.695 10.172 -17.148 1.00 1.00 O ATOM 1876 OE2 GLU A 120 -42.538 9.079 -16.748 1.00 1.00 O ATOM 0 H GLU A 120 -39.306 6.011 -20.178 1.00 1.00 H new ATOM 0 HA GLU A 120 -42.020 6.930 -20.670 1.00 1.00 H new ATOM 0 HB2 GLU A 120 -40.947 7.065 -18.446 1.00 1.00 H new ATOM 0 HB3 GLU A 120 -39.743 8.152 -19.110 1.00 1.00 H new ATOM 0 HG2 GLU A 120 -41.415 9.825 -19.598 1.00 1.00 H new ATOM 0 HG3 GLU A 120 -42.716 8.722 -19.194 1.00 1.00 H new ATOM 1883 N ASN A 121 -40.997 7.752 -22.901 1.00 1.00 N ATOM 1884 CA ASN A 121 -40.838 8.543 -24.090 1.00 1.00 C ATOM 1885 C ASN A 121 -42.018 8.267 -24.986 1.00 1.00 C ATOM 1886 O ASN A 121 -42.022 7.291 -25.752 1.00 1.00 O ATOM 1887 CB ASN A 121 -39.523 8.200 -24.823 1.00 1.00 C ATOM 1888 CG ASN A 121 -39.266 9.107 -26.023 1.00 1.00 C ATOM 1889 OD1 ASN A 121 -38.673 10.186 -25.888 1.00 1.00 O ATOM 1890 ND2 ASN A 121 -39.697 8.691 -27.188 1.00 1.00 N ATOM 0 H ASN A 121 -41.430 6.844 -23.069 1.00 1.00 H new ATOM 0 HA ASN A 121 -40.792 9.599 -23.823 1.00 1.00 H new ATOM 0 HB2 ASN A 121 -38.690 8.283 -24.125 1.00 1.00 H new ATOM 0 HB3 ASN A 121 -39.557 7.163 -25.157 1.00 1.00 H new ATOM 0 HD21 ASN A 121 -39.548 9.261 -28.020 1.00 1.00 H new ATOM 0 HD22 ASN A 121 -40.182 7.797 -27.263 1.00 1.00 H new ATOM 1897 N GLN A 122 -43.030 9.065 -24.860 1.00 1.00 N ATOM 1898 CA GLN A 122 -44.218 8.891 -25.640 1.00 1.00 C ATOM 1899 C GLN A 122 -44.444 10.135 -26.460 1.00 1.00 C ATOM 1900 O GLN A 122 -45.087 11.074 -25.962 1.00 1.00 O ATOM 1901 CB GLN A 122 -45.430 8.612 -24.733 1.00 1.00 C ATOM 1902 CG GLN A 122 -45.277 7.394 -23.830 1.00 1.00 C ATOM 1903 CD GLN A 122 -45.127 6.083 -24.588 1.00 1.00 C ATOM 1904 OE1 GLN A 122 -45.835 5.933 -25.679 1.00 1.00 O flip ATOM 1905 NE2 GLN A 122 -44.388 5.191 -24.158 1.00 1.00 N flip ATOM 1906 OXT GLN A 122 -43.947 10.195 -27.596 1.00 1.00 O ATOM 0 H GLN A 122 -43.058 9.855 -24.215 1.00 1.00 H new ATOM 0 HA GLN A 122 -44.097 8.033 -26.301 1.00 1.00 H new ATOM 0 HB2 GLN A 122 -45.612 9.489 -24.111 1.00 1.00 H new ATOM 0 HB3 GLN A 122 -46.312 8.476 -25.359 1.00 1.00 H new ATOM 0 HG2 GLN A 122 -44.406 7.535 -23.190 1.00 1.00 H new ATOM 0 HG3 GLN A 122 -46.146 7.327 -23.175 1.00 1.00 H new ATOM 0 HE21 GLN A 122 -43.850 5.342 -23.305 1.00 1.00 H new ATOM 0 HE22 GLN A 122 -44.316 4.304 -24.657 1.00 1.00 H new TER 1915 GLN A 122