USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 722 hydrogens (34 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 NoAdj-H: B 4 MLY H2 : B 4 MLY N : B 3 THR C :(H bumps) USER MOD NoAdj-H: B 4 MLY H : B 4 MLY N : B 3 THR C :(H bumps) USER MOD NoAdj-H: B 9 MLY H2 : B 9 MLY N : B 8 ARG C :(H bumps) USER MOD Set 1.1: A 41 LYS NZ :NH3+ 156:sc= 0.0151 (180deg=-0.375) USER MOD Set 1.2: A 50 ASN : amide:sc= -2.39 K(o=-2.4,f=-4.2) USER MOD Set 2.1: A 25 LYS NZ :NH3+ -169:sc= 0.498 (180deg=0) USER MOD Set 2.2: A 70 SER OG : rot 65:sc= 1.56 USER MOD Single : A 8 HIS : no HE2:sc= -0.479 K(o=-0.48,f=-1.5) USER MOD Single : A 9 MET CE :methyl -161:sc= -0.116 (180deg=-0.565) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 169:sc= -2.24! (180deg=-2.43!) USER MOD Single : A 35 LYS NZ :NH3+ 170:sc=-0.00571 (180deg=-0.138) USER MOD Single : A 38 TYR OH : rot 65:sc= 0.878 USER MOD Single : A 43 LYS NZ :NH3+ -166:sc= -0.0399 (180deg=-0.236) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 55:sc= 0.294 USER MOD Single : A 57 ASN : amide:sc= -3! C(o=-3!,f=-6.2!) USER MOD Single : A 60 CYS SG : rot 57:sc= -0.239 USER MOD Single : A 69 GLN : amide:sc= -2.07! C(o=-2.1!,f=-6.6!) USER MOD Single : A 71 GLN : amide:sc= -2.25! K(o=-2.2!,f=-0.84) USER MOD Single : A 72 LYS NZ :NH3+ -136:sc= -0.0653 (180deg=-0.351) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 165:sc= -0.0303 (180deg=-0.301) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : B 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 THR OG1 : rot 13:sc= 0.724 USER MOD Single : B 5 GLN : amide:sc= -2.08! C(o=-2.1!,f=-5.1!) USER MOD Single : B 6 THR OG1 : rot 80:sc= -0.138 USER MOD Single : B 10 SER OG : rot 180:sc= 0 USER MOD Single : B 11 THR OG1 : rot 29:sc= 0.503 USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 8 -22.263 14.746 -0.589 1.00 0.00 N ATOM 2 CA HIS A 8 -22.829 14.907 -1.954 1.00 0.00 C ATOM 3 C HIS A 8 -22.490 13.703 -2.832 1.00 0.00 C ATOM 4 O HIS A 8 -22.537 12.562 -2.372 1.00 0.00 O ATOM 5 CB HIS A 8 -22.264 16.195 -2.561 1.00 0.00 C ATOM 6 CG HIS A 8 -22.556 17.418 -1.749 1.00 0.00 C ATOM 7 ND1 HIS A 8 -22.125 17.579 -0.449 1.00 0.00 N ATOM 8 CD2 HIS A 8 -23.239 18.546 -2.059 1.00 0.00 C ATOM 9 CE1 HIS A 8 -22.531 18.751 0.006 1.00 0.00 C ATOM 10 NE2 HIS A 8 -23.208 19.357 -0.951 1.00 0.00 N ATOM 0 HA HIS A 8 -23.916 14.969 -1.895 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -21.185 16.092 -2.672 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -22.676 16.326 -3.562 1.00 0.00 H new ATOM 0 HD1 HIS A 8 -21.578 16.899 0.079 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -23.718 18.766 -3.001 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -22.341 19.146 0.993 1.00 0.00 H new ATOM 21 N MET A 9 -22.147 13.962 -4.094 1.00 0.00 N ATOM 22 CA MET A 9 -21.799 12.896 -5.028 1.00 0.00 C ATOM 23 C MET A 9 -22.933 11.874 -5.132 1.00 0.00 C ATOM 24 O MET A 9 -24.099 12.246 -5.264 1.00 0.00 O ATOM 25 CB MET A 9 -20.499 12.215 -4.588 1.00 0.00 C ATOM 26 CG MET A 9 -19.320 13.168 -4.474 1.00 0.00 C ATOM 27 SD MET A 9 -18.928 13.984 -6.034 1.00 0.00 S ATOM 28 CE MET A 9 -18.507 12.576 -7.059 1.00 0.00 C ATOM 0 H MET A 9 -22.103 14.901 -4.491 1.00 0.00 H new ATOM 0 HA MET A 9 -21.649 13.335 -6.014 1.00 0.00 H new ATOM 0 HB2 MET A 9 -20.660 11.733 -3.624 1.00 0.00 H new ATOM 0 HB3 MET A 9 -20.252 11.428 -5.301 1.00 0.00 H new ATOM 0 HG2 MET A 9 -19.541 13.923 -3.720 1.00 0.00 H new ATOM 0 HG3 MET A 9 -18.446 12.617 -4.127 1.00 0.00 H new ATOM 0 HE1 MET A 9 -17.931 12.913 -7.921 1.00 0.00 H new ATOM 0 HE2 MET A 9 -17.914 11.869 -6.480 1.00 0.00 H new ATOM 0 HE3 MET A 9 -19.420 12.089 -7.401 1.00 0.00 H new ATOM 38 N VAL A 10 -22.588 10.588 -5.072 1.00 0.00 N ATOM 39 CA VAL A 10 -23.581 9.524 -5.160 1.00 0.00 C ATOM 40 C VAL A 10 -22.978 8.179 -4.763 1.00 0.00 C ATOM 41 O VAL A 10 -23.616 7.385 -4.072 1.00 0.00 O ATOM 42 CB VAL A 10 -24.171 9.423 -6.582 1.00 0.00 C ATOM 43 CG1 VAL A 10 -23.075 9.161 -7.604 1.00 0.00 C ATOM 44 CG2 VAL A 10 -25.239 8.341 -6.645 1.00 0.00 C ATOM 0 H VAL A 10 -21.628 10.260 -4.963 1.00 0.00 H new ATOM 0 HA VAL A 10 -24.383 9.775 -4.465 1.00 0.00 H new ATOM 0 HB VAL A 10 -24.639 10.377 -6.825 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -23.514 9.094 -8.599 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -22.353 9.977 -7.581 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -22.571 8.224 -7.365 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -25.642 8.286 -7.656 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -24.800 7.380 -6.377 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -26.041 8.581 -5.947 1.00 0.00 H new ATOM 54 N GLU A 11 -21.743 7.938 -5.203 1.00 0.00 N ATOM 55 CA GLU A 11 -21.033 6.696 -4.898 1.00 0.00 C ATOM 56 C GLU A 11 -21.725 5.485 -5.520 1.00 0.00 C ATOM 57 O GLU A 11 -22.944 5.333 -5.430 1.00 0.00 O ATOM 58 CB GLU A 11 -20.910 6.506 -3.384 1.00 0.00 C ATOM 59 CG GLU A 11 -20.135 7.617 -2.693 1.00 0.00 C ATOM 60 CD GLU A 11 -18.704 7.722 -3.186 1.00 0.00 C ATOM 61 OE1 GLU A 11 -17.956 6.731 -3.051 1.00 0.00 O ATOM 62 OE2 GLU A 11 -18.333 8.794 -3.706 1.00 0.00 O ATOM 0 H GLU A 11 -21.210 8.592 -5.776 1.00 0.00 H new ATOM 0 HA GLU A 11 -20.036 6.775 -5.332 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -21.909 6.447 -2.951 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -20.419 5.553 -3.184 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -20.643 8.567 -2.858 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -20.133 7.439 -1.618 1.00 0.00 H new ATOM 69 N GLU A 12 -20.930 4.621 -6.147 1.00 0.00 N ATOM 70 CA GLU A 12 -21.446 3.414 -6.784 1.00 0.00 C ATOM 71 C GLU A 12 -20.291 2.554 -7.295 1.00 0.00 C ATOM 72 O GLU A 12 -20.374 1.940 -8.359 1.00 0.00 O ATOM 73 CB GLU A 12 -22.388 3.783 -7.938 1.00 0.00 C ATOM 74 CG GLU A 12 -23.158 2.602 -8.514 1.00 0.00 C ATOM 75 CD GLU A 12 -24.100 1.963 -7.510 1.00 0.00 C ATOM 76 OE1 GLU A 12 -23.615 1.449 -6.480 1.00 0.00 O ATOM 77 OE2 GLU A 12 -25.325 1.977 -7.755 1.00 0.00 O ATOM 0 H GLU A 12 -19.920 4.737 -6.227 1.00 0.00 H new ATOM 0 HA GLU A 12 -22.008 2.841 -6.047 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -23.099 4.531 -7.587 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -21.806 4.246 -8.734 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -23.730 2.936 -9.380 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -22.451 1.852 -8.869 1.00 0.00 H new ATOM 84 N VAL A 13 -19.209 2.520 -6.523 1.00 0.00 N ATOM 85 CA VAL A 13 -18.029 1.743 -6.883 1.00 0.00 C ATOM 86 C VAL A 13 -18.222 0.261 -6.575 1.00 0.00 C ATOM 87 O VAL A 13 -18.787 -0.100 -5.542 1.00 0.00 O ATOM 88 CB VAL A 13 -16.776 2.251 -6.143 1.00 0.00 C ATOM 89 CG1 VAL A 13 -16.476 3.691 -6.527 1.00 0.00 C ATOM 90 CG2 VAL A 13 -16.952 2.122 -4.637 1.00 0.00 C ATOM 0 H VAL A 13 -19.126 3.024 -5.640 1.00 0.00 H new ATOM 0 HA VAL A 13 -17.887 1.869 -7.956 1.00 0.00 H new ATOM 0 HB VAL A 13 -15.929 1.633 -6.441 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -15.588 4.032 -5.995 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -16.301 3.752 -7.601 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -17.324 4.323 -6.261 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -16.056 2.486 -4.134 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -17.812 2.712 -4.319 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -17.114 1.076 -4.378 1.00 0.00 H new ATOM 100 N LEU A 14 -17.745 -0.593 -7.475 1.00 0.00 N ATOM 101 CA LEU A 14 -17.858 -2.036 -7.296 1.00 0.00 C ATOM 102 C LEU A 14 -17.109 -2.478 -6.042 1.00 0.00 C ATOM 103 O LEU A 14 -15.984 -2.042 -5.800 1.00 0.00 O ATOM 104 CB LEU A 14 -17.305 -2.768 -8.521 1.00 0.00 C ATOM 105 CG LEU A 14 -17.359 -4.296 -8.448 1.00 0.00 C ATOM 106 CD1 LEU A 14 -18.798 -4.777 -8.341 1.00 0.00 C ATOM 107 CD2 LEU A 14 -16.679 -4.911 -9.662 1.00 0.00 C ATOM 0 H LEU A 14 -17.276 -0.311 -8.336 1.00 0.00 H new ATOM 0 HA LEU A 14 -18.912 -2.287 -7.181 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -17.861 -2.443 -9.400 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -16.269 -2.464 -8.669 1.00 0.00 H new ATOM 0 HG LEU A 14 -16.824 -4.616 -7.554 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -18.815 -5.866 -8.290 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -19.253 -4.365 -7.441 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -19.358 -4.446 -9.215 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -16.726 -5.998 -9.594 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -17.186 -4.582 -10.569 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -15.636 -4.595 -9.694 1.00 0.00 H new ATOM 119 N GLU A 15 -17.744 -3.341 -5.249 1.00 0.00 N ATOM 120 CA GLU A 15 -17.142 -3.842 -4.015 1.00 0.00 C ATOM 121 C GLU A 15 -16.954 -2.715 -3.001 1.00 0.00 C ATOM 122 O GLU A 15 -16.707 -1.566 -3.369 1.00 0.00 O ATOM 123 CB GLU A 15 -15.799 -4.521 -4.304 1.00 0.00 C ATOM 124 CG GLU A 15 -15.906 -5.711 -5.244 1.00 0.00 C ATOM 125 CD GLU A 15 -16.800 -6.808 -4.698 1.00 0.00 C ATOM 126 OE1 GLU A 15 -16.496 -7.335 -3.607 1.00 0.00 O ATOM 127 OE2 GLU A 15 -17.804 -7.141 -5.363 1.00 0.00 O ATOM 0 H GLU A 15 -18.676 -3.708 -5.440 1.00 0.00 H new ATOM 0 HA GLU A 15 -17.822 -4.579 -3.588 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -15.117 -3.788 -4.736 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -15.359 -4.851 -3.363 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -16.295 -5.376 -6.206 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -14.911 -6.116 -5.426 1.00 0.00 H new ATOM 134 N GLU A 16 -17.081 -3.050 -1.720 1.00 0.00 N ATOM 135 CA GLU A 16 -16.931 -2.066 -0.653 1.00 0.00 C ATOM 136 C GLU A 16 -16.362 -2.713 0.605 1.00 0.00 C ATOM 137 O GLU A 16 -15.531 -2.123 1.296 1.00 0.00 O ATOM 138 CB GLU A 16 -18.280 -1.414 -0.339 1.00 0.00 C ATOM 139 CG GLU A 16 -18.207 -0.362 0.757 1.00 0.00 C ATOM 140 CD GLU A 16 -19.553 0.272 1.050 1.00 0.00 C ATOM 141 OE1 GLU A 16 -20.545 -0.107 0.393 1.00 0.00 O ATOM 142 OE2 GLU A 16 -19.614 1.149 1.937 1.00 0.00 O ATOM 0 H GLU A 16 -17.287 -3.995 -1.396 1.00 0.00 H new ATOM 0 HA GLU A 16 -16.235 -1.299 -0.994 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -18.672 -0.955 -1.246 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -18.988 -2.188 -0.042 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -17.819 -0.818 1.668 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -17.500 0.414 0.463 1.00 0.00 H new ATOM 149 N GLU A 17 -16.813 -3.929 0.893 1.00 0.00 N ATOM 150 CA GLU A 17 -16.347 -4.660 2.065 1.00 0.00 C ATOM 151 C GLU A 17 -14.829 -4.812 2.037 1.00 0.00 C ATOM 152 O GLU A 17 -14.244 -5.084 0.988 1.00 0.00 O ATOM 153 CB GLU A 17 -17.011 -6.036 2.126 1.00 0.00 C ATOM 154 CG GLU A 17 -18.529 -5.973 2.207 1.00 0.00 C ATOM 155 CD GLU A 17 -19.174 -7.346 2.234 1.00 0.00 C ATOM 156 OE1 GLU A 17 -18.436 -8.352 2.184 1.00 0.00 O ATOM 157 OE2 GLU A 17 -20.419 -7.414 2.303 1.00 0.00 O ATOM 0 H GLU A 17 -17.501 -4.429 0.330 1.00 0.00 H new ATOM 0 HA GLU A 17 -16.621 -4.093 2.955 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -16.725 -6.608 1.243 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -16.631 -6.576 2.993 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -18.818 -5.423 3.103 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -18.911 -5.414 1.353 1.00 0.00 H new ATOM 164 N GLU A 18 -14.196 -4.628 3.193 1.00 0.00 N ATOM 165 CA GLU A 18 -12.745 -4.740 3.299 1.00 0.00 C ATOM 166 C GLU A 18 -12.259 -6.092 2.786 1.00 0.00 C ATOM 167 O GLU A 18 -12.835 -7.131 3.108 1.00 0.00 O ATOM 168 CB GLU A 18 -12.301 -4.543 4.742 1.00 0.00 C ATOM 169 CG GLU A 18 -12.624 -3.167 5.299 1.00 0.00 C ATOM 170 CD GLU A 18 -12.143 -2.990 6.727 1.00 0.00 C ATOM 171 OE1 GLU A 18 -10.922 -3.110 6.961 1.00 0.00 O ATOM 172 OE2 GLU A 18 -12.988 -2.731 7.609 1.00 0.00 O ATOM 0 H GLU A 18 -14.666 -4.401 4.069 1.00 0.00 H new ATOM 0 HA GLU A 18 -12.304 -3.959 2.680 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -12.778 -5.299 5.366 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -11.226 -4.708 4.808 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -12.165 -2.406 4.668 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -13.701 -3.006 5.260 1.00 0.00 H new ATOM 179 N GLU A 19 -11.195 -6.068 1.987 1.00 0.00 N ATOM 180 CA GLU A 19 -10.623 -7.288 1.424 1.00 0.00 C ATOM 181 C GLU A 19 -9.118 -7.145 1.221 1.00 0.00 C ATOM 182 O GLU A 19 -8.647 -6.139 0.690 1.00 0.00 O ATOM 183 CB GLU A 19 -11.294 -7.626 0.098 1.00 0.00 C ATOM 184 CG GLU A 19 -12.703 -8.164 0.260 1.00 0.00 C ATOM 185 CD GLU A 19 -12.746 -9.454 1.056 1.00 0.00 C ATOM 186 OE1 GLU A 19 -12.110 -10.439 0.625 1.00 0.00 O ATOM 187 OE2 GLU A 19 -13.417 -9.482 2.109 1.00 0.00 O ATOM 0 H GLU A 19 -10.710 -5.213 1.714 1.00 0.00 H new ATOM 0 HA GLU A 19 -10.800 -8.098 2.131 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -11.323 -6.732 -0.525 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.689 -8.363 -0.430 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -13.319 -7.414 0.756 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -13.139 -8.334 -0.725 1.00 0.00 H new ATOM 194 N GLU A 20 -8.370 -8.157 1.649 1.00 0.00 N ATOM 195 CA GLU A 20 -6.916 -8.147 1.517 1.00 0.00 C ATOM 196 C GLU A 20 -6.487 -8.540 0.106 1.00 0.00 C ATOM 197 O GLU A 20 -7.007 -9.497 -0.469 1.00 0.00 O ATOM 198 CB GLU A 20 -6.271 -9.091 2.537 1.00 0.00 C ATOM 199 CG GLU A 20 -6.524 -8.699 3.986 1.00 0.00 C ATOM 200 CD GLU A 20 -7.916 -9.061 4.469 1.00 0.00 C ATOM 201 OE1 GLU A 20 -8.640 -9.764 3.734 1.00 0.00 O ATOM 202 OE2 GLU A 20 -8.276 -8.656 5.595 1.00 0.00 O ATOM 0 H GLU A 20 -8.747 -8.996 2.091 1.00 0.00 H new ATOM 0 HA GLU A 20 -6.576 -7.130 1.712 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -6.648 -10.100 2.373 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -5.196 -9.120 2.361 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -5.787 -9.189 4.622 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.376 -7.625 4.096 1.00 0.00 H new ATOM 209 N TYR A 21 -5.529 -7.797 -0.444 1.00 0.00 N ATOM 210 CA TYR A 21 -5.019 -8.067 -1.785 1.00 0.00 C ATOM 211 C TYR A 21 -3.502 -8.237 -1.771 1.00 0.00 C ATOM 212 O TYR A 21 -2.791 -7.506 -1.082 1.00 0.00 O ATOM 213 CB TYR A 21 -5.408 -6.944 -2.752 1.00 0.00 C ATOM 214 CG TYR A 21 -6.872 -6.941 -3.139 1.00 0.00 C ATOM 215 CD1 TYR A 21 -7.868 -6.754 -2.189 1.00 0.00 C ATOM 216 CD2 TYR A 21 -7.257 -7.121 -4.463 1.00 0.00 C ATOM 217 CE1 TYR A 21 -9.203 -6.749 -2.545 1.00 0.00 C ATOM 218 CE2 TYR A 21 -8.590 -7.117 -4.826 1.00 0.00 C ATOM 219 CZ TYR A 21 -9.559 -6.931 -3.864 1.00 0.00 C ATOM 220 OH TYR A 21 -10.888 -6.927 -4.221 1.00 0.00 O ATOM 0 H TYR A 21 -5.090 -7.002 0.020 1.00 0.00 H new ATOM 0 HA TYR A 21 -5.470 -8.998 -2.128 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -5.162 -5.985 -2.296 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -4.805 -7.032 -3.655 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -7.594 -6.610 -1.154 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -6.501 -7.266 -5.220 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -9.964 -6.603 -1.793 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -8.871 -7.259 -5.859 1.00 0.00 H new ATOM 0 HH TYR A 21 -10.967 -7.067 -5.188 1.00 0.00 H new ATOM 230 N VAL A 22 -3.019 -9.211 -2.536 1.00 0.00 N ATOM 231 CA VAL A 22 -1.588 -9.496 -2.620 1.00 0.00 C ATOM 232 C VAL A 22 -0.803 -8.282 -3.113 1.00 0.00 C ATOM 233 O VAL A 22 -1.274 -7.536 -3.970 1.00 0.00 O ATOM 234 CB VAL A 22 -1.310 -10.680 -3.566 1.00 0.00 C ATOM 235 CG1 VAL A 22 0.165 -11.049 -3.546 1.00 0.00 C ATOM 236 CG2 VAL A 22 -2.173 -11.876 -3.196 1.00 0.00 C ATOM 0 H VAL A 22 -3.601 -9.821 -3.111 1.00 0.00 H new ATOM 0 HA VAL A 22 -1.261 -9.750 -1.612 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.569 -10.376 -4.580 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.340 -11.887 -4.221 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.758 -10.194 -3.869 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.456 -11.331 -2.534 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.962 -12.701 -3.876 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.951 -12.182 -2.174 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.225 -11.603 -3.273 1.00 0.00 H new ATOM 246 N VAL A 23 0.402 -8.099 -2.575 1.00 0.00 N ATOM 247 CA VAL A 23 1.256 -6.983 -2.970 1.00 0.00 C ATOM 248 C VAL A 23 2.725 -7.394 -3.003 1.00 0.00 C ATOM 249 O VAL A 23 3.224 -8.042 -2.083 1.00 0.00 O ATOM 250 CB VAL A 23 1.080 -5.772 -2.033 1.00 0.00 C ATOM 251 CG1 VAL A 23 1.323 -6.151 -0.583 1.00 0.00 C ATOM 252 CG2 VAL A 23 1.995 -4.632 -2.457 1.00 0.00 C ATOM 0 H VAL A 23 0.807 -8.709 -1.865 1.00 0.00 H new ATOM 0 HA VAL A 23 0.947 -6.692 -3.974 1.00 0.00 H new ATOM 0 HB VAL A 23 0.047 -5.434 -2.114 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.190 -5.273 0.050 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.614 -6.923 -0.285 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.339 -6.529 -0.471 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.857 -3.785 -1.784 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.033 -4.964 -2.415 1.00 0.00 H new ATOM 0 HG23 VAL A 23 1.751 -4.329 -3.475 1.00 0.00 H new ATOM 262 N GLU A 24 3.406 -7.024 -4.086 1.00 0.00 N ATOM 263 CA GLU A 24 4.815 -7.361 -4.266 1.00 0.00 C ATOM 264 C GLU A 24 5.734 -6.449 -3.453 1.00 0.00 C ATOM 265 O GLU A 24 6.567 -6.928 -2.683 1.00 0.00 O ATOM 266 CB GLU A 24 5.184 -7.280 -5.749 1.00 0.00 C ATOM 267 CG GLU A 24 6.634 -7.635 -6.039 1.00 0.00 C ATOM 268 CD GLU A 24 6.974 -7.542 -7.515 1.00 0.00 C ATOM 269 OE1 GLU A 24 6.074 -7.202 -8.313 1.00 0.00 O ATOM 270 OE2 GLU A 24 8.140 -7.809 -7.873 1.00 0.00 O ATOM 0 H GLU A 24 3.002 -6.489 -4.854 1.00 0.00 H new ATOM 0 HA GLU A 24 4.957 -8.379 -3.903 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.535 -7.951 -6.313 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.988 -6.270 -6.108 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.287 -6.967 -5.477 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.834 -8.647 -5.687 1.00 0.00 H new ATOM 277 N LYS A 25 5.591 -5.137 -3.636 1.00 0.00 N ATOM 278 CA LYS A 25 6.431 -4.172 -2.924 1.00 0.00 C ATOM 279 C LYS A 25 5.960 -2.742 -3.161 1.00 0.00 C ATOM 280 O LYS A 25 5.480 -2.410 -4.246 1.00 0.00 O ATOM 281 CB LYS A 25 7.885 -4.303 -3.375 1.00 0.00 C ATOM 282 CG LYS A 25 8.819 -3.311 -2.701 1.00 0.00 C ATOM 283 CD LYS A 25 10.242 -3.440 -3.217 1.00 0.00 C ATOM 284 CE LYS A 25 11.152 -2.393 -2.596 1.00 0.00 C ATOM 285 NZ LYS A 25 12.551 -2.504 -3.092 1.00 0.00 N ATOM 0 H LYS A 25 4.907 -4.719 -4.266 1.00 0.00 H new ATOM 0 HA LYS A 25 6.353 -4.392 -1.859 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.232 -5.315 -3.168 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.937 -4.163 -4.455 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.459 -2.297 -2.875 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.806 -3.474 -1.623 1.00 0.00 H new ATOM 0 HD2 LYS A 25 10.624 -4.436 -2.992 1.00 0.00 H new ATOM 0 HD3 LYS A 25 10.249 -3.333 -4.302 1.00 0.00 H new ATOM 0 HE2 LYS A 25 10.766 -1.399 -2.820 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.142 -2.502 -1.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 13.173 -1.903 -2.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 12.865 -3.493 -3.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 12.593 -2.193 -4.084 1.00 0.00 H new ATOM 299 N VAL A 26 6.107 -1.895 -2.145 1.00 0.00 N ATOM 300 CA VAL A 26 5.700 -0.503 -2.265 1.00 0.00 C ATOM 301 C VAL A 26 6.583 0.258 -3.236 1.00 0.00 C ATOM 302 O VAL A 26 7.806 0.120 -3.226 1.00 0.00 O ATOM 303 CB VAL A 26 5.705 0.246 -0.921 1.00 0.00 C ATOM 304 CG1 VAL A 26 4.632 -0.291 -0.005 1.00 0.00 C ATOM 305 CG2 VAL A 26 7.060 0.172 -0.259 1.00 0.00 C ATOM 0 H VAL A 26 6.501 -2.148 -1.239 1.00 0.00 H new ATOM 0 HA VAL A 26 4.677 -0.541 -2.639 1.00 0.00 H new ATOM 0 HB VAL A 26 5.489 1.295 -1.123 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.654 0.253 0.939 1.00 0.00 H new ATOM 0 HG12 VAL A 26 3.656 -0.164 -0.474 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.810 -1.350 0.182 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.032 0.710 0.688 1.00 0.00 H new ATOM 0 HG22 VAL A 26 7.319 -0.871 -0.076 1.00 0.00 H new ATOM 0 HG23 VAL A 26 7.808 0.623 -0.911 1.00 0.00 H new ATOM 315 N LEU A 27 5.949 1.072 -4.065 1.00 0.00 N ATOM 316 CA LEU A 27 6.663 1.873 -5.038 1.00 0.00 C ATOM 317 C LEU A 27 7.180 3.158 -4.407 1.00 0.00 C ATOM 318 O LEU A 27 8.143 3.745 -4.902 1.00 0.00 O ATOM 319 CB LEU A 27 5.772 2.206 -6.240 1.00 0.00 C ATOM 320 CG LEU A 27 5.343 1.013 -7.101 1.00 0.00 C ATOM 321 CD1 LEU A 27 4.427 0.081 -6.326 1.00 0.00 C ATOM 322 CD2 LEU A 27 4.663 1.493 -8.374 1.00 0.00 C ATOM 0 H LEU A 27 4.936 1.193 -4.081 1.00 0.00 H new ATOM 0 HA LEU A 27 7.512 1.285 -5.387 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.876 2.709 -5.876 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.301 2.917 -6.875 1.00 0.00 H new ATOM 0 HG LEU A 27 6.238 0.454 -7.374 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.138 -0.756 -6.961 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.950 -0.294 -5.446 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.535 0.624 -6.014 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.365 0.633 -8.974 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.781 2.079 -8.116 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.355 2.111 -8.945 1.00 0.00 H new ATOM 334 N ASP A 28 6.543 3.601 -3.314 1.00 0.00 N ATOM 335 CA ASP A 28 6.977 4.836 -2.653 1.00 0.00 C ATOM 336 C ASP A 28 6.115 5.160 -1.428 1.00 0.00 C ATOM 337 O ASP A 28 5.604 4.260 -0.761 1.00 0.00 O ATOM 338 CB ASP A 28 6.932 6.001 -3.654 1.00 0.00 C ATOM 339 CG ASP A 28 7.797 7.175 -3.234 1.00 0.00 C ATOM 340 OD1 ASP A 28 9.021 6.984 -3.077 1.00 0.00 O ATOM 341 OD2 ASP A 28 7.251 8.286 -3.069 1.00 0.00 O ATOM 0 H ASP A 28 5.746 3.136 -2.879 1.00 0.00 H new ATOM 0 HA ASP A 28 7.999 4.689 -2.304 1.00 0.00 H new ATOM 0 HB2 ASP A 28 7.259 5.646 -4.631 1.00 0.00 H new ATOM 0 HB3 ASP A 28 5.901 6.337 -3.766 1.00 0.00 H new ATOM 346 N ARG A 29 5.964 6.455 -1.139 1.00 0.00 N ATOM 347 CA ARG A 29 5.178 6.915 0.001 1.00 0.00 C ATOM 348 C ARG A 29 4.952 8.424 -0.079 1.00 0.00 C ATOM 349 O ARG A 29 5.840 9.172 -0.491 1.00 0.00 O ATOM 350 CB ARG A 29 5.889 6.575 1.312 1.00 0.00 C ATOM 351 CG ARG A 29 7.223 7.286 1.480 1.00 0.00 C ATOM 352 CD ARG A 29 7.883 6.934 2.804 1.00 0.00 C ATOM 353 NE ARG A 29 9.143 7.648 2.992 1.00 0.00 N ATOM 354 CZ ARG A 29 9.918 7.509 4.064 1.00 0.00 C ATOM 355 NH1 ARG A 29 9.566 6.682 5.039 1.00 0.00 N ATOM 356 NH2 ARG A 29 11.047 8.198 4.161 1.00 0.00 N ATOM 0 H ARG A 29 6.382 7.207 -1.687 1.00 0.00 H new ATOM 0 HA ARG A 29 4.214 6.408 -0.025 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.239 6.836 2.147 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.052 5.498 1.359 1.00 0.00 H new ATOM 0 HG2 ARG A 29 7.886 7.015 0.659 1.00 0.00 H new ATOM 0 HG3 ARG A 29 7.071 8.364 1.424 1.00 0.00 H new ATOM 0 HD2 ARG A 29 7.204 7.174 3.623 1.00 0.00 H new ATOM 0 HD3 ARG A 29 8.065 5.860 2.845 1.00 0.00 H new ATOM 0 HE ARG A 29 9.446 8.290 2.259 1.00 0.00 H new ATOM 0 HH11 ARG A 29 8.699 6.150 4.968 1.00 0.00 H new ATOM 0 HH12 ARG A 29 10.163 6.578 5.860 1.00 0.00 H new ATOM 0 HH21 ARG A 29 11.322 8.835 3.413 1.00 0.00 H new ATOM 0 HH22 ARG A 29 11.641 8.091 4.983 1.00 0.00 H new ATOM 370 N ARG A 30 3.763 8.868 0.318 1.00 0.00 N ATOM 371 CA ARG A 30 3.431 10.289 0.292 1.00 0.00 C ATOM 372 C ARG A 30 2.340 10.615 1.308 1.00 0.00 C ATOM 373 O ARG A 30 1.294 9.970 1.337 1.00 0.00 O ATOM 374 CB ARG A 30 2.979 10.704 -1.110 1.00 0.00 C ATOM 375 CG ARG A 30 1.775 9.928 -1.619 1.00 0.00 C ATOM 376 CD ARG A 30 1.356 10.392 -3.004 1.00 0.00 C ATOM 377 NE ARG A 30 0.973 11.801 -3.016 1.00 0.00 N ATOM 378 CZ ARG A 30 0.558 12.443 -4.104 1.00 0.00 C ATOM 379 NH1 ARG A 30 0.471 11.802 -5.263 1.00 0.00 N ATOM 380 NH2 ARG A 30 0.229 13.725 -4.035 1.00 0.00 N ATOM 0 H ARG A 30 3.015 8.266 0.661 1.00 0.00 H new ATOM 0 HA ARG A 30 4.328 10.849 0.558 1.00 0.00 H new ATOM 0 HB2 ARG A 30 2.739 11.767 -1.105 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.808 10.568 -1.805 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.012 8.864 -1.647 1.00 0.00 H new ATOM 0 HG3 ARG A 30 0.943 10.051 -0.926 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.177 10.233 -3.703 1.00 0.00 H new ATOM 0 HD3 ARG A 30 0.519 9.786 -3.352 1.00 0.00 H new ATOM 0 HE ARG A 30 1.027 12.322 -2.141 1.00 0.00 H new ATOM 0 HH11 ARG A 30 0.723 10.815 -5.320 1.00 0.00 H new ATOM 0 HH12 ARG A 30 0.152 12.296 -6.096 1.00 0.00 H new ATOM 0 HH21 ARG A 30 0.294 14.221 -3.146 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -0.089 14.216 -4.871 1.00 0.00 H new ATOM 394 N VAL A 31 2.588 11.622 2.139 1.00 0.00 N ATOM 395 CA VAL A 31 1.618 12.028 3.148 1.00 0.00 C ATOM 396 C VAL A 31 0.492 12.861 2.546 1.00 0.00 C ATOM 397 O VAL A 31 0.712 13.692 1.665 1.00 0.00 O ATOM 398 CB VAL A 31 2.280 12.814 4.302 1.00 0.00 C ATOM 399 CG1 VAL A 31 1.240 13.572 5.116 1.00 0.00 C ATOM 400 CG2 VAL A 31 3.054 11.869 5.203 1.00 0.00 C ATOM 0 H VAL A 31 3.449 12.169 2.134 1.00 0.00 H new ATOM 0 HA VAL A 31 1.197 11.107 3.552 1.00 0.00 H new ATOM 0 HB VAL A 31 2.968 13.538 3.866 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.734 14.116 5.921 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.715 14.276 4.470 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.525 12.867 5.540 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.516 12.435 6.012 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.374 11.126 5.621 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.828 11.366 4.624 1.00 0.00 H new ATOM 410 N VAL A 32 -0.711 12.634 3.056 1.00 0.00 N ATOM 411 CA VAL A 32 -1.898 13.349 2.621 1.00 0.00 C ATOM 412 C VAL A 32 -2.841 13.509 3.803 1.00 0.00 C ATOM 413 O VAL A 32 -3.039 12.567 4.569 1.00 0.00 O ATOM 414 CB VAL A 32 -2.634 12.618 1.478 1.00 0.00 C ATOM 415 CG1 VAL A 32 -1.744 12.496 0.250 1.00 0.00 C ATOM 416 CG2 VAL A 32 -3.114 11.248 1.933 1.00 0.00 C ATOM 0 H VAL A 32 -0.889 11.945 3.787 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.582 14.321 2.241 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.507 13.211 1.206 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.285 11.977 -0.541 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.462 13.491 -0.095 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.847 11.932 0.506 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -3.630 10.752 1.111 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -2.259 10.647 2.241 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.798 11.363 2.774 1.00 0.00 H new ATOM 426 N LYS A 33 -3.393 14.708 3.961 1.00 0.00 N ATOM 427 CA LYS A 33 -4.298 15.005 5.070 1.00 0.00 C ATOM 428 C LYS A 33 -3.753 14.441 6.384 1.00 0.00 C ATOM 429 O LYS A 33 -4.510 13.967 7.232 1.00 0.00 O ATOM 430 CB LYS A 33 -5.712 14.470 4.791 1.00 0.00 C ATOM 431 CG LYS A 33 -5.805 12.955 4.689 1.00 0.00 C ATOM 432 CD LYS A 33 -7.212 12.504 4.331 1.00 0.00 C ATOM 433 CE LYS A 33 -7.307 10.989 4.247 1.00 0.00 C ATOM 434 NZ LYS A 33 -6.956 10.338 5.540 1.00 0.00 N ATOM 0 H LYS A 33 -3.229 15.494 3.332 1.00 0.00 H new ATOM 0 HA LYS A 33 -4.363 16.089 5.166 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.378 14.810 5.584 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -6.075 14.907 3.861 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.104 12.597 3.935 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.509 12.507 5.637 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.915 12.873 5.078 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -7.504 12.941 3.376 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -8.319 10.704 3.960 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.640 10.626 3.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -7.209 9.330 5.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.934 10.432 5.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -7.479 10.797 6.313 1.00 0.00 H new ATOM 448 N GLY A 34 -2.431 14.514 6.547 1.00 0.00 N ATOM 449 CA GLY A 34 -1.797 14.025 7.761 1.00 0.00 C ATOM 450 C GLY A 34 -1.432 12.549 7.712 1.00 0.00 C ATOM 451 O GLY A 34 -0.447 12.132 8.321 1.00 0.00 O ATOM 0 H GLY A 34 -1.788 14.904 5.858 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.894 14.607 7.948 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.467 14.196 8.604 1.00 0.00 H new ATOM 455 N LYS A 35 -2.227 11.754 7.004 1.00 0.00 N ATOM 456 CA LYS A 35 -1.984 10.321 6.902 1.00 0.00 C ATOM 457 C LYS A 35 -1.098 9.976 5.713 1.00 0.00 C ATOM 458 O LYS A 35 -1.341 10.417 4.592 1.00 0.00 O ATOM 459 CB LYS A 35 -3.307 9.574 6.800 1.00 0.00 C ATOM 460 CG LYS A 35 -4.113 9.600 8.085 1.00 0.00 C ATOM 461 CD LYS A 35 -5.378 8.770 7.967 1.00 0.00 C ATOM 462 CE LYS A 35 -6.127 8.718 9.286 1.00 0.00 C ATOM 463 NZ LYS A 35 -6.564 10.071 9.731 1.00 0.00 N ATOM 0 H LYS A 35 -3.047 12.079 6.492 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.457 10.012 7.805 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.902 10.011 5.998 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.111 8.538 6.524 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.504 9.221 8.905 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.374 10.629 8.331 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -6.023 9.193 7.196 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -5.124 7.758 7.650 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -6.998 8.071 9.183 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -5.488 8.274 10.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -7.212 9.978 10.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -5.733 10.628 10.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -7.052 10.553 8.949 1.00 0.00 H new ATOM 477 N VAL A 36 -0.074 9.171 5.971 1.00 0.00 N ATOM 478 CA VAL A 36 0.855 8.748 4.931 1.00 0.00 C ATOM 479 C VAL A 36 0.294 7.580 4.123 1.00 0.00 C ATOM 480 O VAL A 36 -0.327 6.672 4.676 1.00 0.00 O ATOM 481 CB VAL A 36 2.216 8.341 5.531 1.00 0.00 C ATOM 482 CG1 VAL A 36 2.059 7.154 6.470 1.00 0.00 C ATOM 483 CG2 VAL A 36 3.218 8.033 4.428 1.00 0.00 C ATOM 0 H VAL A 36 0.134 8.797 6.897 1.00 0.00 H new ATOM 0 HA VAL A 36 0.996 9.602 4.268 1.00 0.00 H new ATOM 0 HB VAL A 36 2.598 9.181 6.112 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.032 6.884 6.881 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.382 7.420 7.282 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.650 6.306 5.920 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.172 7.748 4.872 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.844 7.213 3.815 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.357 8.917 3.806 1.00 0.00 H new ATOM 493 N GLU A 37 0.528 7.604 2.812 1.00 0.00 N ATOM 494 CA GLU A 37 0.058 6.538 1.931 1.00 0.00 C ATOM 495 C GLU A 37 1.199 6.015 1.065 1.00 0.00 C ATOM 496 O GLU A 37 1.890 6.781 0.396 1.00 0.00 O ATOM 497 CB GLU A 37 -1.093 7.027 1.046 1.00 0.00 C ATOM 498 CG GLU A 37 -0.705 8.146 0.097 1.00 0.00 C ATOM 499 CD GLU A 37 -1.866 8.613 -0.761 1.00 0.00 C ATOM 500 OE1 GLU A 37 -2.898 9.024 -0.190 1.00 0.00 O ATOM 501 OE2 GLU A 37 -1.742 8.569 -2.003 1.00 0.00 O ATOM 0 H GLU A 37 1.039 8.349 2.338 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.309 5.724 2.556 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.474 6.187 0.465 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.908 7.370 1.683 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.321 8.989 0.672 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.105 7.806 -0.548 1.00 0.00 H new ATOM 508 N TYR A 38 1.385 4.703 1.086 1.00 0.00 N ATOM 509 CA TYR A 38 2.434 4.057 0.304 1.00 0.00 C ATOM 510 C TYR A 38 1.861 3.451 -0.968 1.00 0.00 C ATOM 511 O TYR A 38 0.746 2.934 -0.969 1.00 0.00 O ATOM 512 CB TYR A 38 3.135 2.972 1.127 1.00 0.00 C ATOM 513 CG TYR A 38 4.068 3.517 2.187 1.00 0.00 C ATOM 514 CD1 TYR A 38 3.602 4.353 3.194 1.00 0.00 C ATOM 515 CD2 TYR A 38 5.419 3.192 2.176 1.00 0.00 C ATOM 516 CE1 TYR A 38 4.457 4.850 4.159 1.00 0.00 C ATOM 517 CE2 TYR A 38 6.280 3.685 3.138 1.00 0.00 C ATOM 518 CZ TYR A 38 5.794 4.513 4.127 1.00 0.00 C ATOM 519 OH TYR A 38 6.648 5.006 5.087 1.00 0.00 O ATOM 0 H TYR A 38 0.820 4.060 1.640 1.00 0.00 H new ATOM 0 HA TYR A 38 3.165 4.818 0.032 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.380 2.348 1.606 1.00 0.00 H new ATOM 0 HB3 TYR A 38 3.701 2.328 0.454 1.00 0.00 H new ATOM 0 HD1 TYR A 38 2.556 4.618 3.223 1.00 0.00 H new ATOM 0 HD2 TYR A 38 5.803 2.543 1.403 1.00 0.00 H new ATOM 0 HE1 TYR A 38 4.080 5.500 4.935 1.00 0.00 H new ATOM 0 HE2 TYR A 38 7.328 3.423 3.115 1.00 0.00 H new ATOM 0 HH TYR A 38 6.392 4.654 5.965 1.00 0.00 H new ATOM 529 N LEU A 39 2.633 3.509 -2.045 1.00 0.00 N ATOM 530 CA LEU A 39 2.208 2.946 -3.319 1.00 0.00 C ATOM 531 C LEU A 39 2.496 1.452 -3.336 1.00 0.00 C ATOM 532 O LEU A 39 3.502 1.020 -2.796 1.00 0.00 O ATOM 533 CB LEU A 39 2.928 3.644 -4.477 1.00 0.00 C ATOM 534 CG LEU A 39 2.571 3.132 -5.874 1.00 0.00 C ATOM 535 CD1 LEU A 39 1.082 2.886 -5.987 1.00 0.00 C ATOM 536 CD2 LEU A 39 3.024 4.119 -6.938 1.00 0.00 C ATOM 0 H LEU A 39 3.557 3.940 -2.062 1.00 0.00 H new ATOM 0 HA LEU A 39 1.136 3.103 -3.440 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.706 4.710 -4.431 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.003 3.536 -4.332 1.00 0.00 H new ATOM 0 HG LEU A 39 3.091 2.188 -6.033 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.848 2.522 -6.988 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.779 2.142 -5.250 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.545 3.817 -5.804 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.761 3.737 -7.924 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.532 5.078 -6.778 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.104 4.251 -6.876 1.00 0.00 H new ATOM 548 N LEU A 40 1.611 0.659 -3.936 1.00 0.00 N ATOM 549 CA LEU A 40 1.810 -0.789 -3.981 1.00 0.00 C ATOM 550 C LEU A 40 1.545 -1.354 -5.372 1.00 0.00 C ATOM 551 O LEU A 40 0.522 -1.060 -5.990 1.00 0.00 O ATOM 552 CB LEU A 40 0.913 -1.496 -2.956 1.00 0.00 C ATOM 553 CG LEU A 40 1.264 -1.235 -1.488 1.00 0.00 C ATOM 554 CD1 LEU A 40 0.827 0.150 -1.069 1.00 0.00 C ATOM 555 CD2 LEU A 40 0.634 -2.277 -0.580 1.00 0.00 C ATOM 0 H LEU A 40 0.760 0.988 -4.392 1.00 0.00 H new ATOM 0 HA LEU A 40 2.855 -0.975 -3.731 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.118 -1.187 -3.126 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.958 -2.570 -3.138 1.00 0.00 H new ATOM 0 HG LEU A 40 2.347 -1.305 -1.391 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.087 0.313 -0.023 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.330 0.893 -1.688 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.252 0.245 -1.194 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.901 -2.066 0.456 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.450 -2.247 -0.689 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.999 -3.267 -0.854 1.00 0.00 H new ATOM 567 N LYS A 41 2.477 -2.176 -5.853 1.00 0.00 N ATOM 568 CA LYS A 41 2.351 -2.799 -7.166 1.00 0.00 C ATOM 569 C LYS A 41 1.367 -3.963 -7.108 1.00 0.00 C ATOM 570 O LYS A 41 1.764 -5.129 -7.111 1.00 0.00 O ATOM 571 CB LYS A 41 3.720 -3.279 -7.661 1.00 0.00 C ATOM 572 CG LYS A 41 3.695 -3.867 -9.065 1.00 0.00 C ATOM 573 CD LYS A 41 3.159 -2.869 -10.080 1.00 0.00 C ATOM 574 CE LYS A 41 3.186 -3.437 -11.489 1.00 0.00 C ATOM 575 NZ LYS A 41 2.663 -2.466 -12.490 1.00 0.00 N ATOM 0 H LYS A 41 3.329 -2.425 -5.350 1.00 0.00 H new ATOM 0 HA LYS A 41 1.969 -2.058 -7.868 1.00 0.00 H new ATOM 0 HB2 LYS A 41 4.417 -2.441 -7.640 1.00 0.00 H new ATOM 0 HB3 LYS A 41 4.103 -4.030 -6.970 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.702 -4.172 -9.350 1.00 0.00 H new ATOM 0 HG3 LYS A 41 3.076 -4.764 -9.074 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.137 -2.594 -9.817 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.754 -1.956 -10.043 1.00 0.00 H new ATOM 0 HE2 LYS A 41 4.208 -3.712 -11.750 1.00 0.00 H new ATOM 0 HE3 LYS A 41 2.591 -4.350 -11.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 3.053 -2.690 -13.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 1.625 -2.526 -12.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 2.945 -1.502 -12.219 1.00 0.00 H new ATOM 589 N TRP A 42 0.080 -3.636 -7.032 1.00 0.00 N ATOM 590 CA TRP A 42 -0.967 -4.647 -6.948 1.00 0.00 C ATOM 591 C TRP A 42 -0.895 -5.626 -8.116 1.00 0.00 C ATOM 592 O TRP A 42 -0.915 -5.231 -9.282 1.00 0.00 O ATOM 593 CB TRP A 42 -2.340 -3.972 -6.882 1.00 0.00 C ATOM 594 CG TRP A 42 -2.473 -3.070 -5.693 1.00 0.00 C ATOM 595 CD1 TRP A 42 -2.697 -1.719 -5.694 1.00 0.00 C ATOM 596 CD2 TRP A 42 -2.361 -3.456 -4.319 1.00 0.00 C ATOM 597 NE1 TRP A 42 -2.729 -1.249 -4.404 1.00 0.00 N ATOM 598 CE2 TRP A 42 -2.525 -2.296 -3.544 1.00 0.00 C ATOM 599 CE3 TRP A 42 -2.139 -4.673 -3.667 1.00 0.00 C ATOM 600 CZ2 TRP A 42 -2.470 -2.320 -2.155 1.00 0.00 C ATOM 601 CZ3 TRP A 42 -2.086 -4.691 -2.289 1.00 0.00 C ATOM 602 CH2 TRP A 42 -2.250 -3.520 -1.548 1.00 0.00 C ATOM 0 H TRP A 42 -0.263 -2.675 -7.027 1.00 0.00 H new ATOM 0 HA TRP A 42 -0.814 -5.223 -6.036 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -2.503 -3.396 -7.793 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -3.117 -4.736 -6.845 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -2.829 -1.113 -6.578 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -2.880 -0.278 -4.130 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -2.011 -5.584 -4.233 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -2.597 -1.417 -1.576 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -1.915 -5.626 -1.776 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -2.202 -3.566 -0.470 1.00 0.00 H new ATOM 613 N LYS A 43 -0.802 -6.910 -7.778 1.00 0.00 N ATOM 614 CA LYS A 43 -0.714 -7.975 -8.771 1.00 0.00 C ATOM 615 C LYS A 43 -1.989 -8.075 -9.599 1.00 0.00 C ATOM 616 O LYS A 43 -3.094 -7.912 -9.081 1.00 0.00 O ATOM 617 CB LYS A 43 -0.433 -9.310 -8.076 1.00 0.00 C ATOM 618 CG LYS A 43 -0.329 -10.494 -9.024 1.00 0.00 C ATOM 619 CD LYS A 43 -0.074 -11.788 -8.267 1.00 0.00 C ATOM 620 CE LYS A 43 0.032 -12.976 -9.210 1.00 0.00 C ATOM 621 NZ LYS A 43 -1.216 -13.172 -9.998 1.00 0.00 N ATOM 0 H LYS A 43 -0.786 -7.239 -6.813 1.00 0.00 H new ATOM 0 HA LYS A 43 0.105 -7.737 -9.450 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.497 -9.226 -7.514 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.226 -9.505 -7.354 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.250 -10.583 -9.600 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.478 -10.322 -9.737 1.00 0.00 H new ATOM 0 HD2 LYS A 43 0.846 -11.697 -7.690 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.881 -11.959 -7.555 1.00 0.00 H new ATOM 0 HE2 LYS A 43 0.871 -12.826 -9.890 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.244 -13.878 -8.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.200 -14.111 -10.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.040 -13.103 -9.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.281 -12.439 -10.733 1.00 0.00 H new ATOM 635 N GLY A 44 -1.822 -8.344 -10.891 1.00 0.00 N ATOM 636 CA GLY A 44 -2.959 -8.461 -11.783 1.00 0.00 C ATOM 637 C GLY A 44 -3.505 -7.110 -12.198 1.00 0.00 C ATOM 638 O GLY A 44 -3.827 -6.894 -13.367 1.00 0.00 O ATOM 0 H GLY A 44 -0.915 -8.483 -11.336 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -2.665 -9.020 -12.671 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -3.746 -9.033 -11.292 1.00 0.00 H new ATOM 642 N PHE A 45 -3.609 -6.199 -11.238 1.00 0.00 N ATOM 643 CA PHE A 45 -4.117 -4.861 -11.504 1.00 0.00 C ATOM 644 C PHE A 45 -3.131 -4.064 -12.354 1.00 0.00 C ATOM 645 O PHE A 45 -1.921 -4.119 -12.134 1.00 0.00 O ATOM 646 CB PHE A 45 -4.403 -4.122 -10.191 1.00 0.00 C ATOM 647 CG PHE A 45 -5.532 -4.714 -9.384 1.00 0.00 C ATOM 648 CD1 PHE A 45 -5.572 -6.071 -9.098 1.00 0.00 C ATOM 649 CD2 PHE A 45 -6.551 -3.906 -8.906 1.00 0.00 C ATOM 650 CE1 PHE A 45 -6.607 -6.608 -8.356 1.00 0.00 C ATOM 651 CE2 PHE A 45 -7.587 -4.438 -8.162 1.00 0.00 C ATOM 652 CZ PHE A 45 -7.615 -5.790 -7.887 1.00 0.00 C ATOM 0 H PHE A 45 -3.347 -6.364 -10.266 1.00 0.00 H new ATOM 0 HA PHE A 45 -5.049 -4.959 -12.060 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.498 -4.120 -9.583 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -4.638 -3.082 -10.416 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.785 -6.716 -9.460 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -6.535 -2.847 -9.118 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -6.627 -7.667 -8.143 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -8.374 -3.796 -7.796 1.00 0.00 H new ATOM 0 HZ PHE A 45 -8.424 -6.207 -7.306 1.00 0.00 H new ATOM 662 N SER A 46 -3.660 -3.327 -13.326 1.00 0.00 N ATOM 663 CA SER A 46 -2.834 -2.516 -14.218 1.00 0.00 C ATOM 664 C SER A 46 -1.978 -1.529 -13.429 1.00 0.00 C ATOM 665 O SER A 46 -2.342 -1.122 -12.326 1.00 0.00 O ATOM 666 CB SER A 46 -3.715 -1.760 -15.214 1.00 0.00 C ATOM 667 OG SER A 46 -4.476 -2.655 -16.006 1.00 0.00 O ATOM 0 H SER A 46 -4.660 -3.274 -13.517 1.00 0.00 H new ATOM 0 HA SER A 46 -2.170 -3.187 -14.763 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.383 -1.088 -14.676 1.00 0.00 H new ATOM 0 HB3 SER A 46 -3.091 -1.140 -15.858 1.00 0.00 H new ATOM 0 HG SER A 46 -5.031 -2.146 -16.633 1.00 0.00 H new ATOM 673 N ASP A 47 -0.837 -1.151 -14.003 1.00 0.00 N ATOM 674 CA ASP A 47 0.073 -0.211 -13.355 1.00 0.00 C ATOM 675 C ASP A 47 -0.670 1.049 -12.924 1.00 0.00 C ATOM 676 O ASP A 47 -0.504 1.531 -11.805 1.00 0.00 O ATOM 677 CB ASP A 47 1.218 0.157 -14.300 1.00 0.00 C ATOM 678 CG ASP A 47 2.194 1.135 -13.674 1.00 0.00 C ATOM 679 OD1 ASP A 47 2.802 0.787 -12.640 1.00 0.00 O ATOM 680 OD2 ASP A 47 2.348 2.249 -14.216 1.00 0.00 O ATOM 0 H ASP A 47 -0.522 -1.482 -14.915 1.00 0.00 H new ATOM 0 HA ASP A 47 0.485 -0.693 -12.468 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.751 -0.748 -14.590 1.00 0.00 H new ATOM 0 HB3 ASP A 47 0.808 0.591 -15.212 1.00 0.00 H new ATOM 685 N GLU A 48 -1.500 1.573 -13.817 1.00 0.00 N ATOM 686 CA GLU A 48 -2.277 2.765 -13.526 1.00 0.00 C ATOM 687 C GLU A 48 -3.249 2.499 -12.381 1.00 0.00 C ATOM 688 O GLU A 48 -3.536 3.383 -11.574 1.00 0.00 O ATOM 689 CB GLU A 48 -3.041 3.208 -14.772 1.00 0.00 C ATOM 690 CG GLU A 48 -2.139 3.542 -15.949 1.00 0.00 C ATOM 691 CD GLU A 48 -2.918 3.977 -17.174 1.00 0.00 C ATOM 692 OE1 GLU A 48 -3.740 3.178 -17.670 1.00 0.00 O ATOM 693 OE2 GLU A 48 -2.707 5.117 -17.638 1.00 0.00 O ATOM 0 H GLU A 48 -1.651 1.188 -14.750 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.596 3.562 -13.226 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.731 2.417 -15.066 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.644 4.082 -14.527 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.450 4.336 -15.660 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.535 2.670 -16.198 1.00 0.00 H new ATOM 700 N ASP A 49 -3.754 1.270 -12.327 1.00 0.00 N ATOM 701 CA ASP A 49 -4.700 0.866 -11.293 1.00 0.00 C ATOM 702 C ASP A 49 -4.080 0.964 -9.902 1.00 0.00 C ATOM 703 O ASP A 49 -4.798 1.122 -8.913 1.00 0.00 O ATOM 704 CB ASP A 49 -5.186 -0.563 -11.545 1.00 0.00 C ATOM 705 CG ASP A 49 -6.349 -0.949 -10.650 1.00 0.00 C ATOM 706 OD1 ASP A 49 -6.175 -0.946 -9.414 1.00 0.00 O ATOM 707 OD2 ASP A 49 -7.435 -1.253 -11.188 1.00 0.00 O ATOM 0 H ASP A 49 -3.522 0.533 -12.992 1.00 0.00 H new ATOM 0 HA ASP A 49 -5.549 1.548 -11.337 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -5.486 -0.662 -12.588 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -4.361 -1.257 -11.383 1.00 0.00 H new ATOM 712 N ASN A 50 -2.750 0.861 -9.824 1.00 0.00 N ATOM 713 CA ASN A 50 -2.056 0.931 -8.537 1.00 0.00 C ATOM 714 C ASN A 50 -2.636 2.041 -7.672 1.00 0.00 C ATOM 715 O ASN A 50 -2.907 3.142 -8.152 1.00 0.00 O ATOM 716 CB ASN A 50 -0.552 1.154 -8.725 1.00 0.00 C ATOM 717 CG ASN A 50 0.160 -0.072 -9.263 1.00 0.00 C ATOM 718 OD1 ASN A 50 -0.009 -1.177 -8.748 1.00 0.00 O ATOM 719 ND2 ASN A 50 0.982 0.122 -10.286 1.00 0.00 N ATOM 0 H ASN A 50 -2.138 0.730 -10.629 1.00 0.00 H new ATOM 0 HA ASN A 50 -2.202 -0.026 -8.035 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -0.396 1.989 -9.408 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -0.109 1.436 -7.770 1.00 0.00 H new ATOM 0 HD21 ASN A 50 1.504 -0.662 -10.676 1.00 0.00 H new ATOM 0 HD22 ASN A 50 1.092 1.055 -10.682 1.00 0.00 H new ATOM 726 N THR A 51 -2.840 1.733 -6.398 1.00 0.00 N ATOM 727 CA THR A 51 -3.407 2.689 -5.461 1.00 0.00 C ATOM 728 C THR A 51 -2.579 2.754 -4.183 1.00 0.00 C ATOM 729 O THR A 51 -2.002 1.756 -3.760 1.00 0.00 O ATOM 730 CB THR A 51 -4.860 2.311 -5.114 1.00 0.00 C ATOM 731 OG1 THR A 51 -5.671 2.346 -6.294 1.00 0.00 O ATOM 732 CG2 THR A 51 -5.439 3.252 -4.072 1.00 0.00 C ATOM 0 H THR A 51 -2.620 0.824 -5.990 1.00 0.00 H new ATOM 0 HA THR A 51 -3.396 3.669 -5.938 1.00 0.00 H new ATOM 0 HB THR A 51 -4.855 1.302 -4.702 1.00 0.00 H new ATOM 0 HG1 THR A 51 -5.270 1.776 -6.983 1.00 0.00 H new ATOM 0 HG21 THR A 51 -6.465 2.960 -3.848 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.840 3.201 -3.163 1.00 0.00 H new ATOM 0 HG23 THR A 51 -5.428 4.272 -4.457 1.00 0.00 H new ATOM 740 N TRP A 52 -2.516 3.938 -3.579 1.00 0.00 N ATOM 741 CA TRP A 52 -1.757 4.135 -2.355 1.00 0.00 C ATOM 742 C TRP A 52 -2.634 3.870 -1.134 1.00 0.00 C ATOM 743 O TRP A 52 -3.681 4.495 -0.965 1.00 0.00 O ATOM 744 CB TRP A 52 -1.205 5.556 -2.312 1.00 0.00 C ATOM 745 CG TRP A 52 -0.409 5.917 -3.531 1.00 0.00 C ATOM 746 CD1 TRP A 52 -0.830 5.902 -4.833 1.00 0.00 C ATOM 747 CD2 TRP A 52 0.956 6.327 -3.560 1.00 0.00 C ATOM 748 NE1 TRP A 52 0.197 6.278 -5.664 1.00 0.00 N ATOM 749 CE2 TRP A 52 1.302 6.550 -4.905 1.00 0.00 C ATOM 750 CE3 TRP A 52 1.919 6.530 -2.576 1.00 0.00 C ATOM 751 CZ2 TRP A 52 2.573 6.967 -5.286 1.00 0.00 C ATOM 752 CZ3 TRP A 52 3.179 6.941 -2.952 1.00 0.00 C ATOM 753 CH2 TRP A 52 3.498 7.157 -4.298 1.00 0.00 C ATOM 0 H TRP A 52 -2.985 4.776 -3.922 1.00 0.00 H new ATOM 0 HA TRP A 52 -0.926 3.430 -2.339 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -2.033 6.257 -2.205 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -0.576 5.668 -1.429 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -1.824 5.634 -5.159 1.00 0.00 H new ATOM 0 HE1 TRP A 52 0.144 6.344 -6.681 1.00 0.00 H new ATOM 0 HE3 TRP A 52 1.682 6.368 -1.535 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 2.820 7.134 -6.324 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 3.933 7.099 -2.196 1.00 0.00 H new ATOM 0 HH2 TRP A 52 4.494 7.480 -4.561 1.00 0.00 H new ATOM 764 N GLU A 53 -2.203 2.940 -0.290 1.00 0.00 N ATOM 765 CA GLU A 53 -2.953 2.589 0.913 1.00 0.00 C ATOM 766 C GLU A 53 -2.264 3.128 2.162 1.00 0.00 C ATOM 767 O GLU A 53 -1.042 3.279 2.187 1.00 0.00 O ATOM 768 CB GLU A 53 -3.104 1.071 1.033 1.00 0.00 C ATOM 769 CG GLU A 53 -3.922 0.432 -0.076 1.00 0.00 C ATOM 770 CD GLU A 53 -3.364 0.718 -1.451 1.00 0.00 C ATOM 771 OE1 GLU A 53 -2.152 0.502 -1.652 1.00 0.00 O ATOM 772 OE2 GLU A 53 -4.140 1.152 -2.327 1.00 0.00 O ATOM 0 H GLU A 53 -1.338 2.414 -0.415 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.941 3.043 0.829 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.112 0.619 1.043 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.569 0.839 1.991 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.958 -0.646 0.080 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.948 0.797 -0.022 1.00 0.00 H new ATOM 779 N PRO A 54 -3.037 3.415 3.226 1.00 0.00 N ATOM 780 CA PRO A 54 -2.479 3.923 4.480 1.00 0.00 C ATOM 781 C PRO A 54 -1.428 2.978 5.044 1.00 0.00 C ATOM 782 O PRO A 54 -1.643 1.768 5.107 1.00 0.00 O ATOM 783 CB PRO A 54 -3.684 3.995 5.423 1.00 0.00 C ATOM 784 CG PRO A 54 -4.884 4.005 4.537 1.00 0.00 C ATOM 785 CD PRO A 54 -4.501 3.251 3.294 1.00 0.00 C ATOM 0 HA PRO A 54 -1.981 4.883 4.345 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -3.704 3.141 6.100 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -3.645 4.892 6.041 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -5.735 3.534 5.030 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -5.180 5.026 4.296 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -4.784 2.200 3.359 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -4.992 3.659 2.410 1.00 0.00 H new ATOM 793 N GLU A 55 -0.291 3.532 5.447 1.00 0.00 N ATOM 794 CA GLU A 55 0.795 2.732 6.001 1.00 0.00 C ATOM 795 C GLU A 55 0.303 1.869 7.159 1.00 0.00 C ATOM 796 O GLU A 55 0.708 0.715 7.301 1.00 0.00 O ATOM 797 CB GLU A 55 1.938 3.640 6.466 1.00 0.00 C ATOM 798 CG GLU A 55 3.076 2.891 7.141 1.00 0.00 C ATOM 799 CD GLU A 55 4.191 3.812 7.598 1.00 0.00 C ATOM 800 OE1 GLU A 55 3.916 4.716 8.415 1.00 0.00 O ATOM 801 OE2 GLU A 55 5.338 3.628 7.141 1.00 0.00 O ATOM 0 H GLU A 55 -0.097 4.532 5.401 1.00 0.00 H new ATOM 0 HA GLU A 55 1.164 2.071 5.217 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.331 4.183 5.607 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.542 4.383 7.159 1.00 0.00 H new ATOM 0 HG2 GLU A 55 2.687 2.344 8.000 1.00 0.00 H new ATOM 0 HG3 GLU A 55 3.481 2.152 6.449 1.00 0.00 H new ATOM 808 N GLU A 56 -0.571 2.435 7.983 1.00 0.00 N ATOM 809 CA GLU A 56 -1.118 1.715 9.128 1.00 0.00 C ATOM 810 C GLU A 56 -1.979 0.540 8.674 1.00 0.00 C ATOM 811 O GLU A 56 -1.885 -0.559 9.222 1.00 0.00 O ATOM 812 CB GLU A 56 -1.946 2.659 10.002 1.00 0.00 C ATOM 813 CG GLU A 56 -1.142 3.809 10.589 1.00 0.00 C ATOM 814 CD GLU A 56 -1.990 4.741 11.433 1.00 0.00 C ATOM 815 OE1 GLU A 56 -3.209 4.494 11.551 1.00 0.00 O ATOM 816 OE2 GLU A 56 -1.435 5.719 11.976 1.00 0.00 O ATOM 0 H GLU A 56 -0.916 3.389 7.880 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.284 1.326 9.712 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.765 3.065 9.408 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.394 2.088 10.815 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.333 3.408 11.199 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.681 4.376 9.780 1.00 0.00 H new ATOM 823 N ASN A 57 -2.821 0.781 7.674 1.00 0.00 N ATOM 824 CA ASN A 57 -3.705 -0.254 7.148 1.00 0.00 C ATOM 825 C ASN A 57 -2.920 -1.401 6.516 1.00 0.00 C ATOM 826 O ASN A 57 -3.364 -2.550 6.539 1.00 0.00 O ATOM 827 CB ASN A 57 -4.668 0.343 6.120 1.00 0.00 C ATOM 828 CG ASN A 57 -5.615 1.357 6.732 1.00 0.00 C ATOM 829 OD1 ASN A 57 -5.187 2.318 7.370 1.00 0.00 O ATOM 830 ND2 ASN A 57 -6.912 1.148 6.537 1.00 0.00 N ATOM 0 H ASN A 57 -2.910 1.685 7.211 1.00 0.00 H new ATOM 0 HA ASN A 57 -4.272 -0.657 7.987 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -4.095 0.819 5.324 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.246 -0.458 5.660 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -7.597 1.798 6.923 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -7.223 0.338 6.001 1.00 0.00 H new ATOM 837 N LEU A 58 -1.767 -1.085 5.932 1.00 0.00 N ATOM 838 CA LEU A 58 -0.943 -2.097 5.272 1.00 0.00 C ATOM 839 C LEU A 58 -0.621 -3.263 6.199 1.00 0.00 C ATOM 840 O LEU A 58 -0.127 -3.073 7.311 1.00 0.00 O ATOM 841 CB LEU A 58 0.369 -1.490 4.761 1.00 0.00 C ATOM 842 CG LEU A 58 0.231 -0.260 3.861 1.00 0.00 C ATOM 843 CD1 LEU A 58 1.517 -0.021 3.089 1.00 0.00 C ATOM 844 CD2 LEU A 58 -0.937 -0.415 2.905 1.00 0.00 C ATOM 0 H LEU A 58 -1.382 -0.141 5.902 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.526 -2.471 4.431 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.981 -1.220 5.621 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.913 -2.259 4.212 1.00 0.00 H new ATOM 0 HG LEU A 58 0.038 0.604 4.496 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.402 0.857 2.454 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.337 0.142 3.789 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.736 -0.891 2.470 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.013 0.472 2.277 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.779 -1.292 2.277 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.859 -0.537 3.474 1.00 0.00 H new ATOM 856 N ASP A 59 -0.879 -4.474 5.714 1.00 0.00 N ATOM 857 CA ASP A 59 -0.592 -5.683 6.472 1.00 0.00 C ATOM 858 C ASP A 59 0.612 -6.386 5.853 1.00 0.00 C ATOM 859 O ASP A 59 0.612 -7.601 5.655 1.00 0.00 O ATOM 860 CB ASP A 59 -1.808 -6.615 6.485 1.00 0.00 C ATOM 861 CG ASP A 59 -1.622 -7.807 7.407 1.00 0.00 C ATOM 862 OD1 ASP A 59 -0.557 -7.901 8.054 1.00 0.00 O ATOM 863 OD2 ASP A 59 -2.544 -8.647 7.483 1.00 0.00 O ATOM 0 H ASP A 59 -1.288 -4.642 4.795 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.365 -5.415 7.504 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.688 -6.053 6.797 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.999 -6.970 5.472 1.00 0.00 H new ATOM 868 N CYS A 60 1.633 -5.595 5.535 1.00 0.00 N ATOM 869 CA CYS A 60 2.850 -6.109 4.920 1.00 0.00 C ATOM 870 C CYS A 60 4.061 -5.271 5.328 1.00 0.00 C ATOM 871 O CYS A 60 4.719 -4.664 4.482 1.00 0.00 O ATOM 872 CB CYS A 60 2.707 -6.114 3.396 1.00 0.00 C ATOM 873 SG CYS A 60 2.365 -4.489 2.681 1.00 0.00 S ATOM 0 H CYS A 60 1.639 -4.588 5.695 1.00 0.00 H new ATOM 0 HA CYS A 60 3.005 -7.130 5.269 1.00 0.00 H new ATOM 0 HB2 CYS A 60 3.624 -6.506 2.957 1.00 0.00 H new ATOM 0 HB3 CYS A 60 1.904 -6.797 3.119 1.00 0.00 H new ATOM 0 HG CYS A 60 3.298 -3.655 3.033 1.00 0.00 H new ATOM 879 N PRO A 61 4.372 -5.224 6.637 1.00 0.00 N ATOM 880 CA PRO A 61 5.509 -4.454 7.153 1.00 0.00 C ATOM 881 C PRO A 61 6.803 -4.762 6.410 1.00 0.00 C ATOM 882 O PRO A 61 7.690 -3.915 6.311 1.00 0.00 O ATOM 883 CB PRO A 61 5.613 -4.904 8.611 1.00 0.00 C ATOM 884 CG PRO A 61 4.237 -5.344 8.972 1.00 0.00 C ATOM 885 CD PRO A 61 3.643 -5.920 7.716 1.00 0.00 C ATOM 0 HA PRO A 61 5.360 -3.381 7.033 1.00 0.00 H new ATOM 0 HB2 PRO A 61 6.331 -5.717 8.724 1.00 0.00 H new ATOM 0 HB3 PRO A 61 5.949 -4.090 9.253 1.00 0.00 H new ATOM 0 HG2 PRO A 61 4.262 -6.088 9.769 1.00 0.00 H new ATOM 0 HG3 PRO A 61 3.642 -4.506 9.336 1.00 0.00 H new ATOM 0 HD2 PRO A 61 3.784 -7.000 7.664 1.00 0.00 H new ATOM 0 HD3 PRO A 61 2.570 -5.736 7.659 1.00 0.00 H new ATOM 893 N ASP A 62 6.907 -5.984 5.898 1.00 0.00 N ATOM 894 CA ASP A 62 8.095 -6.414 5.171 1.00 0.00 C ATOM 895 C ASP A 62 8.388 -5.499 3.983 1.00 0.00 C ATOM 896 O ASP A 62 9.531 -5.098 3.772 1.00 0.00 O ATOM 897 CB ASP A 62 7.922 -7.855 4.687 1.00 0.00 C ATOM 898 CG ASP A 62 9.145 -8.368 3.952 1.00 0.00 C ATOM 899 OD1 ASP A 62 10.234 -8.399 4.562 1.00 0.00 O ATOM 900 OD2 ASP A 62 9.013 -8.741 2.768 1.00 0.00 O ATOM 0 H ASP A 62 6.180 -6.696 5.974 1.00 0.00 H new ATOM 0 HA ASP A 62 8.942 -6.359 5.855 1.00 0.00 H new ATOM 0 HB2 ASP A 62 7.717 -8.500 5.541 1.00 0.00 H new ATOM 0 HB3 ASP A 62 7.055 -7.913 4.029 1.00 0.00 H new ATOM 905 N LEU A 63 7.356 -5.176 3.207 1.00 0.00 N ATOM 906 CA LEU A 63 7.517 -4.316 2.041 1.00 0.00 C ATOM 907 C LEU A 63 7.886 -2.899 2.449 1.00 0.00 C ATOM 908 O LEU A 63 8.808 -2.304 1.891 1.00 0.00 O ATOM 909 CB LEU A 63 6.239 -4.305 1.203 1.00 0.00 C ATOM 910 CG LEU A 63 5.932 -5.608 0.460 1.00 0.00 C ATOM 911 CD1 LEU A 63 5.735 -6.760 1.430 1.00 0.00 C ATOM 912 CD2 LEU A 63 4.703 -5.436 -0.410 1.00 0.00 C ATOM 0 H LEU A 63 6.401 -5.497 3.366 1.00 0.00 H new ATOM 0 HA LEU A 63 8.331 -4.720 1.440 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.398 -4.072 1.856 1.00 0.00 H new ATOM 0 HB3 LEU A 63 6.309 -3.498 0.474 1.00 0.00 H new ATOM 0 HG LEU A 63 6.786 -5.846 -0.174 1.00 0.00 H new ATOM 0 HD11 LEU A 63 5.518 -7.672 0.873 1.00 0.00 H new ATOM 0 HD12 LEU A 63 6.642 -6.900 2.017 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.902 -6.536 2.097 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.494 -6.369 -0.934 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.849 -5.171 0.214 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.880 -4.644 -1.137 1.00 0.00 H new ATOM 924 N ILE A 64 7.167 -2.364 3.429 1.00 0.00 N ATOM 925 CA ILE A 64 7.431 -1.018 3.911 1.00 0.00 C ATOM 926 C ILE A 64 8.890 -0.892 4.331 1.00 0.00 C ATOM 927 O ILE A 64 9.540 0.115 4.063 1.00 0.00 O ATOM 928 CB ILE A 64 6.514 -0.653 5.094 1.00 0.00 C ATOM 929 CG1 ILE A 64 5.046 -0.785 4.674 1.00 0.00 C ATOM 930 CG2 ILE A 64 6.812 0.760 5.580 1.00 0.00 C ATOM 931 CD1 ILE A 64 4.061 -0.535 5.796 1.00 0.00 C ATOM 0 H ILE A 64 6.400 -2.841 3.902 1.00 0.00 H new ATOM 0 HA ILE A 64 7.224 -0.324 3.096 1.00 0.00 H new ATOM 0 HB ILE A 64 6.704 -1.341 5.917 1.00 0.00 H new ATOM 0 HG12 ILE A 64 4.845 -0.083 3.865 1.00 0.00 H new ATOM 0 HG13 ILE A 64 4.881 -1.786 4.276 1.00 0.00 H new ATOM 0 HG21 ILE A 64 6.156 1.003 6.416 1.00 0.00 H new ATOM 0 HG22 ILE A 64 7.851 0.822 5.904 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.642 1.467 4.768 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.044 -0.647 5.419 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.232 -1.254 6.597 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.196 0.476 6.180 1.00 0.00 H new ATOM 943 N ALA A 65 9.403 -1.938 4.973 1.00 0.00 N ATOM 944 CA ALA A 65 10.791 -1.961 5.410 1.00 0.00 C ATOM 945 C ALA A 65 11.729 -2.037 4.210 1.00 0.00 C ATOM 946 O ALA A 65 12.789 -1.415 4.199 1.00 0.00 O ATOM 947 CB ALA A 65 11.034 -3.133 6.351 1.00 0.00 C ATOM 0 H ALA A 65 8.876 -2.781 5.201 1.00 0.00 H new ATOM 0 HA ALA A 65 10.997 -1.037 5.950 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.077 -3.135 6.668 1.00 0.00 H new ATOM 0 HB2 ALA A 65 10.389 -3.038 7.225 1.00 0.00 H new ATOM 0 HB3 ALA A 65 10.810 -4.067 5.835 1.00 0.00 H new ATOM 953 N GLU A 66 11.323 -2.804 3.198 1.00 0.00 N ATOM 954 CA GLU A 66 12.119 -2.967 1.984 1.00 0.00 C ATOM 955 C GLU A 66 12.335 -1.630 1.280 1.00 0.00 C ATOM 956 O GLU A 66 13.431 -1.342 0.801 1.00 0.00 O ATOM 957 CB GLU A 66 11.441 -3.954 1.027 1.00 0.00 C ATOM 958 CG GLU A 66 11.479 -5.396 1.507 1.00 0.00 C ATOM 959 CD GLU A 66 12.892 -5.917 1.679 1.00 0.00 C ATOM 960 OE1 GLU A 66 13.643 -5.938 0.682 1.00 0.00 O ATOM 961 OE2 GLU A 66 13.247 -6.306 2.812 1.00 0.00 O ATOM 0 H GLU A 66 10.445 -3.323 3.196 1.00 0.00 H new ATOM 0 HA GLU A 66 13.092 -3.362 2.277 1.00 0.00 H new ATOM 0 HB2 GLU A 66 10.402 -3.655 0.886 1.00 0.00 H new ATOM 0 HB3 GLU A 66 11.925 -3.892 0.052 1.00 0.00 H new ATOM 0 HG2 GLU A 66 10.949 -5.473 2.457 1.00 0.00 H new ATOM 0 HG3 GLU A 66 10.948 -6.026 0.794 1.00 0.00 H new ATOM 968 N PHE A 67 11.280 -0.824 1.214 1.00 0.00 N ATOM 969 CA PHE A 67 11.347 0.480 0.560 1.00 0.00 C ATOM 970 C PHE A 67 12.448 1.354 1.164 1.00 0.00 C ATOM 971 O PHE A 67 13.314 1.853 0.445 1.00 0.00 O ATOM 972 CB PHE A 67 9.987 1.172 0.666 1.00 0.00 C ATOM 973 CG PHE A 67 9.961 2.578 0.144 1.00 0.00 C ATOM 974 CD1 PHE A 67 10.308 2.858 -1.167 1.00 0.00 C ATOM 975 CD2 PHE A 67 9.582 3.619 0.971 1.00 0.00 C ATOM 976 CE1 PHE A 67 10.276 4.154 -1.642 1.00 0.00 C ATOM 977 CE2 PHE A 67 9.549 4.916 0.506 1.00 0.00 C ATOM 978 CZ PHE A 67 9.896 5.186 -0.803 1.00 0.00 C ATOM 0 H PHE A 67 10.366 -1.051 1.606 1.00 0.00 H new ATOM 0 HA PHE A 67 11.595 0.329 -0.491 1.00 0.00 H new ATOM 0 HB2 PHE A 67 9.250 0.582 0.121 1.00 0.00 H new ATOM 0 HB3 PHE A 67 9.679 1.180 1.711 1.00 0.00 H new ATOM 0 HD1 PHE A 67 10.607 2.055 -1.824 1.00 0.00 H new ATOM 0 HD2 PHE A 67 9.308 3.413 1.995 1.00 0.00 H new ATOM 0 HE1 PHE A 67 10.547 4.362 -2.667 1.00 0.00 H new ATOM 0 HE2 PHE A 67 9.252 5.719 1.164 1.00 0.00 H new ATOM 0 HZ PHE A 67 9.871 6.201 -1.171 1.00 0.00 H new ATOM 988 N LEU A 68 12.418 1.529 2.483 1.00 0.00 N ATOM 989 CA LEU A 68 13.416 2.330 3.173 1.00 0.00 C ATOM 990 C LEU A 68 14.771 1.646 3.101 1.00 0.00 C ATOM 991 O LEU A 68 15.805 2.294 2.937 1.00 0.00 O ATOM 992 CB LEU A 68 12.994 2.543 4.626 1.00 0.00 C ATOM 993 CG LEU A 68 11.752 3.418 4.819 1.00 0.00 C ATOM 994 CD1 LEU A 68 10.566 2.877 4.039 1.00 0.00 C ATOM 995 CD2 LEU A 68 11.401 3.521 6.288 1.00 0.00 C ATOM 0 H LEU A 68 11.709 1.124 3.094 1.00 0.00 H new ATOM 0 HA LEU A 68 13.496 3.303 2.689 1.00 0.00 H new ATOM 0 HB2 LEU A 68 12.808 1.570 5.081 1.00 0.00 H new ATOM 0 HB3 LEU A 68 13.825 2.994 5.167 1.00 0.00 H new ATOM 0 HG LEU A 68 11.985 4.412 4.436 1.00 0.00 H new ATOM 0 HD11 LEU A 68 9.701 3.521 4.198 1.00 0.00 H new ATOM 0 HD12 LEU A 68 10.810 2.852 2.977 1.00 0.00 H new ATOM 0 HD13 LEU A 68 10.335 1.868 4.382 1.00 0.00 H new ATOM 0 HD21 LEU A 68 10.516 4.146 6.408 1.00 0.00 H new ATOM 0 HD22 LEU A 68 11.199 2.526 6.684 1.00 0.00 H new ATOM 0 HD23 LEU A 68 12.235 3.965 6.831 1.00 0.00 H new ATOM 1007 N GLN A 69 14.744 0.323 3.202 1.00 0.00 N ATOM 1008 CA GLN A 69 15.951 -0.483 3.125 1.00 0.00 C ATOM 1009 C GLN A 69 16.689 -0.178 1.828 1.00 0.00 C ATOM 1010 O GLN A 69 17.919 -0.134 1.787 1.00 0.00 O ATOM 1011 CB GLN A 69 15.581 -1.966 3.187 1.00 0.00 C ATOM 1012 CG GLN A 69 16.766 -2.904 3.062 1.00 0.00 C ATOM 1013 CD GLN A 69 17.702 -2.829 4.251 1.00 0.00 C ATOM 1014 OE1 GLN A 69 18.261 -1.775 4.550 1.00 0.00 O ATOM 1015 NE2 GLN A 69 17.878 -3.952 4.937 1.00 0.00 N ATOM 0 H GLN A 69 13.889 -0.217 3.339 1.00 0.00 H new ATOM 0 HA GLN A 69 16.603 -0.245 3.966 1.00 0.00 H new ATOM 0 HB2 GLN A 69 15.072 -2.164 4.131 1.00 0.00 H new ATOM 0 HB3 GLN A 69 14.871 -2.186 2.390 1.00 0.00 H new ATOM 0 HG2 GLN A 69 16.404 -3.927 2.954 1.00 0.00 H new ATOM 0 HG3 GLN A 69 17.319 -2.664 2.154 1.00 0.00 H new ATOM 0 HE21 GLN A 69 17.394 -4.804 4.654 1.00 0.00 H new ATOM 0 HE22 GLN A 69 18.497 -3.963 5.748 1.00 0.00 H new ATOM 1024 N SER A 70 15.913 0.037 0.772 1.00 0.00 N ATOM 1025 CA SER A 70 16.456 0.348 -0.543 1.00 0.00 C ATOM 1026 C SER A 70 17.155 1.701 -0.540 1.00 0.00 C ATOM 1027 O SER A 70 18.258 1.845 -1.069 1.00 0.00 O ATOM 1028 CB SER A 70 15.331 0.364 -1.579 1.00 0.00 C ATOM 1029 OG SER A 70 14.687 -0.896 -1.653 1.00 0.00 O ATOM 0 H SER A 70 14.894 0.001 0.804 1.00 0.00 H new ATOM 0 HA SER A 70 17.185 -0.421 -0.798 1.00 0.00 H new ATOM 0 HB2 SER A 70 14.604 1.133 -1.318 1.00 0.00 H new ATOM 0 HB3 SER A 70 15.736 0.627 -2.556 1.00 0.00 H new ATOM 0 HG SER A 70 14.237 -1.084 -0.803 1.00 0.00 H new ATOM 1035 N GLN A 71 16.493 2.695 0.043 1.00 0.00 N ATOM 1036 CA GLN A 71 17.029 4.050 0.100 1.00 0.00 C ATOM 1037 C GLN A 71 18.128 4.196 1.150 1.00 0.00 C ATOM 1038 O GLN A 71 18.333 5.283 1.691 1.00 0.00 O ATOM 1039 CB GLN A 71 15.894 5.032 0.383 1.00 0.00 C ATOM 1040 CG GLN A 71 14.845 5.064 -0.718 1.00 0.00 C ATOM 1041 CD GLN A 71 13.590 5.819 -0.324 1.00 0.00 C ATOM 1042 OE1 GLN A 71 12.728 6.085 -1.162 1.00 0.00 O ATOM 1043 NE2 GLN A 71 13.468 6.153 0.955 1.00 0.00 N ATOM 0 H GLN A 71 15.580 2.586 0.485 1.00 0.00 H new ATOM 0 HA GLN A 71 17.482 4.271 -0.866 1.00 0.00 H new ATOM 0 HB2 GLN A 71 15.416 4.764 1.325 1.00 0.00 H new ATOM 0 HB3 GLN A 71 16.310 6.032 0.510 1.00 0.00 H new ATOM 0 HG2 GLN A 71 15.275 5.525 -1.607 1.00 0.00 H new ATOM 0 HG3 GLN A 71 14.578 4.042 -0.986 1.00 0.00 H new ATOM 0 HE21 GLN A 71 14.206 5.914 1.617 1.00 0.00 H new ATOM 0 HE22 GLN A 71 12.636 6.649 1.275 1.00 0.00 H new ATOM 1052 N LYS A 72 18.854 3.113 1.421 1.00 0.00 N ATOM 1053 CA LYS A 72 19.945 3.164 2.387 1.00 0.00 C ATOM 1054 C LYS A 72 21.200 3.711 1.719 1.00 0.00 C ATOM 1055 O LYS A 72 21.628 3.208 0.680 1.00 0.00 O ATOM 1056 CB LYS A 72 20.223 1.780 2.979 1.00 0.00 C ATOM 1057 CG LYS A 72 21.388 1.769 3.960 1.00 0.00 C ATOM 1058 CD LYS A 72 21.586 0.400 4.592 1.00 0.00 C ATOM 1059 CE LYS A 72 20.408 0.013 5.472 1.00 0.00 C ATOM 1060 NZ LYS A 72 20.194 0.988 6.577 1.00 0.00 N ATOM 0 H LYS A 72 18.708 2.200 0.990 1.00 0.00 H new ATOM 0 HA LYS A 72 19.652 3.826 3.202 1.00 0.00 H new ATOM 0 HB2 LYS A 72 19.327 1.422 3.486 1.00 0.00 H new ATOM 0 HB3 LYS A 72 20.432 1.081 2.169 1.00 0.00 H new ATOM 0 HG2 LYS A 72 22.301 2.065 3.443 1.00 0.00 H new ATOM 0 HG3 LYS A 72 21.211 2.507 4.742 1.00 0.00 H new ATOM 0 HD2 LYS A 72 21.717 -0.347 3.809 1.00 0.00 H new ATOM 0 HD3 LYS A 72 22.500 0.402 5.187 1.00 0.00 H new ATOM 0 HE2 LYS A 72 19.506 -0.049 4.864 1.00 0.00 H new ATOM 0 HE3 LYS A 72 20.579 -0.979 5.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 20.013 0.474 7.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 21.042 1.580 6.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 19.377 1.592 6.354 1.00 0.00 H new ATOM 1074 N THR A 73 21.777 4.751 2.312 1.00 0.00 N ATOM 1075 CA THR A 73 22.974 5.374 1.760 1.00 0.00 C ATOM 1076 C THR A 73 22.717 5.804 0.315 1.00 0.00 C ATOM 1077 O THR A 73 23.611 5.776 -0.531 1.00 0.00 O ATOM 1078 CB THR A 73 24.182 4.414 1.812 1.00 0.00 C ATOM 1079 OG1 THR A 73 24.272 3.815 3.111 1.00 0.00 O ATOM 1080 CG2 THR A 73 25.480 5.149 1.510 1.00 0.00 C ATOM 0 H THR A 73 21.436 5.179 3.173 1.00 0.00 H new ATOM 0 HA THR A 73 23.209 6.249 2.366 1.00 0.00 H new ATOM 0 HB THR A 73 24.033 3.643 1.056 1.00 0.00 H new ATOM 0 HG1 THR A 73 25.039 3.206 3.138 1.00 0.00 H new ATOM 0 HG21 THR A 73 26.314 4.448 1.554 1.00 0.00 H new ATOM 0 HG22 THR A 73 25.426 5.588 0.514 1.00 0.00 H new ATOM 0 HG23 THR A 73 25.631 5.939 2.246 1.00 0.00 H new ATOM 1088 N ALA A 74 21.474 6.202 0.049 1.00 0.00 N ATOM 1089 CA ALA A 74 21.066 6.642 -1.282 1.00 0.00 C ATOM 1090 C ALA A 74 21.406 5.602 -2.346 1.00 0.00 C ATOM 1091 O ALA A 74 21.846 5.951 -3.443 1.00 0.00 O ATOM 1092 CB ALA A 74 21.710 7.978 -1.616 1.00 0.00 C ATOM 0 H ALA A 74 20.728 6.228 0.744 1.00 0.00 H new ATOM 0 HA ALA A 74 19.983 6.764 -1.276 1.00 0.00 H new ATOM 0 HB1 ALA A 74 21.397 8.294 -2.611 1.00 0.00 H new ATOM 0 HB2 ALA A 74 21.400 8.724 -0.884 1.00 0.00 H new ATOM 0 HB3 ALA A 74 22.795 7.875 -1.592 1.00 0.00 H new ATOM 1098 N HIS A 75 21.189 4.327 -2.013 1.00 0.00 N ATOM 1099 CA HIS A 75 21.460 3.215 -2.929 1.00 0.00 C ATOM 1100 C HIS A 75 22.961 2.970 -3.101 1.00 0.00 C ATOM 1101 O HIS A 75 23.398 1.823 -3.201 1.00 0.00 O ATOM 1102 CB HIS A 75 20.807 3.466 -4.294 1.00 0.00 C ATOM 1103 CG HIS A 75 21.047 2.370 -5.286 1.00 0.00 C ATOM 1104 ND1 HIS A 75 20.639 1.067 -5.085 1.00 0.00 N ATOM 1105 CD2 HIS A 75 21.658 2.388 -6.495 1.00 0.00 C ATOM 1106 CE1 HIS A 75 20.990 0.333 -6.126 1.00 0.00 C ATOM 1107 NE2 HIS A 75 21.608 1.110 -6.994 1.00 0.00 N ATOM 0 H HIS A 75 20.823 4.037 -1.106 1.00 0.00 H new ATOM 0 HA HIS A 75 21.025 2.319 -2.485 1.00 0.00 H new ATOM 0 HB2 HIS A 75 19.733 3.590 -4.156 1.00 0.00 H new ATOM 0 HB3 HIS A 75 21.187 4.403 -4.702 1.00 0.00 H new ATOM 0 HD2 HIS A 75 22.102 3.247 -6.976 1.00 0.00 H new ATOM 0 HE1 HIS A 75 20.803 -0.724 -6.246 1.00 0.00 H new ATOM 0 HE2 HIS A 75 21.988 0.810 -7.892 1.00 0.00 H new ATOM 1116 N GLU A 76 23.744 4.046 -3.138 1.00 0.00 N ATOM 1117 CA GLU A 76 25.191 3.938 -3.303 1.00 0.00 C ATOM 1118 C GLU A 76 25.798 3.026 -2.240 1.00 0.00 C ATOM 1119 O GLU A 76 25.432 3.092 -1.067 1.00 0.00 O ATOM 1120 CB GLU A 76 25.836 5.325 -3.232 1.00 0.00 C ATOM 1121 CG GLU A 76 27.338 5.311 -3.463 1.00 0.00 C ATOM 1122 CD GLU A 76 27.712 4.781 -4.834 1.00 0.00 C ATOM 1123 OE1 GLU A 76 27.278 5.381 -5.840 1.00 0.00 O ATOM 1124 OE2 GLU A 76 28.439 3.768 -4.900 1.00 0.00 O ATOM 0 H GLU A 76 23.400 5.003 -3.056 1.00 0.00 H new ATOM 0 HA GLU A 76 25.388 3.501 -4.282 1.00 0.00 H new ATOM 0 HB2 GLU A 76 25.369 5.972 -3.974 1.00 0.00 H new ATOM 0 HB3 GLU A 76 25.631 5.762 -2.255 1.00 0.00 H new ATOM 0 HG2 GLU A 76 27.729 6.322 -3.349 1.00 0.00 H new ATOM 0 HG3 GLU A 76 27.814 4.697 -2.698 1.00 0.00 H new ATOM 1131 N THR A 77 26.730 2.177 -2.664 1.00 0.00 N ATOM 1132 CA THR A 77 27.395 1.247 -1.757 1.00 0.00 C ATOM 1133 C THR A 77 28.849 1.034 -2.165 1.00 0.00 C ATOM 1134 O THR A 77 29.348 -0.092 -2.165 1.00 0.00 O ATOM 1135 CB THR A 77 26.682 -0.119 -1.723 1.00 0.00 C ATOM 1136 OG1 THR A 77 26.633 -0.680 -3.040 1.00 0.00 O ATOM 1137 CG2 THR A 77 25.270 0.012 -1.170 1.00 0.00 C ATOM 0 H THR A 77 27.042 2.114 -3.633 1.00 0.00 H new ATOM 0 HA THR A 77 27.355 1.693 -0.763 1.00 0.00 H new ATOM 0 HB THR A 77 27.249 -0.779 -1.066 1.00 0.00 H new ATOM 0 HG1 THR A 77 26.180 -1.548 -3.009 1.00 0.00 H new ATOM 0 HG21 THR A 77 24.792 -0.967 -1.158 1.00 0.00 H new ATOM 0 HG22 THR A 77 25.312 0.408 -0.155 1.00 0.00 H new ATOM 0 HG23 THR A 77 24.694 0.689 -1.800 1.00 0.00 H new ATOM 1145 N ASP A 78 29.524 2.125 -2.513 1.00 0.00 N ATOM 1146 CA ASP A 78 30.922 2.064 -2.923 1.00 0.00 C ATOM 1147 C ASP A 78 31.800 1.569 -1.778 1.00 0.00 C ATOM 1148 O ASP A 78 32.691 0.744 -1.978 1.00 0.00 O ATOM 1149 CB ASP A 78 31.399 3.441 -3.391 1.00 0.00 C ATOM 1150 CG ASP A 78 32.841 3.428 -3.857 1.00 0.00 C ATOM 1151 OD1 ASP A 78 33.154 2.675 -4.803 1.00 0.00 O ATOM 1152 OD2 ASP A 78 33.659 4.174 -3.277 1.00 0.00 O ATOM 0 H ASP A 78 29.124 3.063 -2.519 1.00 0.00 H new ATOM 0 HA ASP A 78 31.004 1.360 -3.751 1.00 0.00 H new ATOM 0 HB2 ASP A 78 30.761 3.786 -4.204 1.00 0.00 H new ATOM 0 HB3 ASP A 78 31.290 4.156 -2.576 1.00 0.00 H new ATOM 1157 N LYS A 79 31.538 2.080 -0.578 1.00 0.00 N ATOM 1158 CA LYS A 79 32.301 1.693 0.603 1.00 0.00 C ATOM 1159 C LYS A 79 31.668 2.279 1.864 1.00 0.00 C ATOM 1160 O LYS A 79 32.353 2.857 2.709 1.00 0.00 O ATOM 1161 CB LYS A 79 33.755 2.160 0.470 1.00 0.00 C ATOM 1162 CG LYS A 79 34.681 1.608 1.544 1.00 0.00 C ATOM 1163 CD LYS A 79 34.796 0.094 1.458 1.00 0.00 C ATOM 1164 CE LYS A 79 35.686 -0.461 2.559 1.00 0.00 C ATOM 1165 NZ LYS A 79 35.152 -0.152 3.914 1.00 0.00 N ATOM 0 H LYS A 79 30.802 2.763 -0.399 1.00 0.00 H new ATOM 0 HA LYS A 79 32.288 0.606 0.684 1.00 0.00 H new ATOM 0 HB2 LYS A 79 34.133 1.864 -0.509 1.00 0.00 H new ATOM 0 HB3 LYS A 79 33.781 3.249 0.506 1.00 0.00 H new ATOM 0 HG2 LYS A 79 35.669 2.055 1.438 1.00 0.00 H new ATOM 0 HG3 LYS A 79 34.307 1.890 2.528 1.00 0.00 H new ATOM 0 HD2 LYS A 79 33.804 -0.352 1.531 1.00 0.00 H new ATOM 0 HD3 LYS A 79 35.201 -0.187 0.486 1.00 0.00 H new ATOM 0 HE2 LYS A 79 35.777 -1.541 2.442 1.00 0.00 H new ATOM 0 HE3 LYS A 79 36.688 -0.044 2.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 35.630 -0.748 4.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 35.323 0.850 4.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 34.130 -0.341 3.936 1.00 0.00 H new ATOM 1179 N SER A 80 30.351 2.127 1.979 1.00 0.00 N ATOM 1180 CA SER A 80 29.615 2.639 3.131 1.00 0.00 C ATOM 1181 C SER A 80 29.814 4.145 3.281 1.00 0.00 C ATOM 1182 O SER A 80 30.043 4.815 2.252 1.00 0.00 O ATOM 1183 CB SER A 80 30.058 1.921 4.408 1.00 0.00 C ATOM 1184 OG SER A 80 29.826 0.526 4.316 1.00 0.00 O ATOM 1185 OXT SER A 80 29.739 4.641 4.425 1.00 0.00 O ATOM 0 H SER A 80 29.771 1.652 1.287 1.00 0.00 H new ATOM 0 HA SER A 80 28.555 2.448 2.966 1.00 0.00 H new ATOM 0 HB2 SER A 80 31.118 2.106 4.584 1.00 0.00 H new ATOM 0 HB3 SER A 80 29.518 2.327 5.263 1.00 0.00 H new ATOM 0 HG SER A 80 30.119 0.090 5.143 1.00 0.00 H new TER 1191 SER A 80 ATOM 1192 N ALA B 1 -4.755 -19.156 8.836 1.00 0.00 N ATOM 1193 CA ALA B 1 -3.839 -17.986 8.807 1.00 0.00 C ATOM 1194 C ALA B 1 -3.443 -17.637 7.376 1.00 0.00 C ATOM 1195 O ALA B 1 -3.077 -18.513 6.592 1.00 0.00 O ATOM 1196 CB ALA B 1 -2.600 -18.267 9.644 1.00 0.00 C ATOM 0 H1 ALA B 1 -5.010 -19.373 9.821 1.00 0.00 H new ATOM 0 H2 ALA B 1 -5.616 -18.936 8.296 1.00 0.00 H new ATOM 0 H3 ALA B 1 -4.281 -19.979 8.411 1.00 0.00 H new ATOM 0 HA ALA B 1 -4.366 -17.131 9.231 1.00 0.00 H new ATOM 0 HB1 ALA B 1 -1.937 -17.402 9.614 1.00 0.00 H new ATOM 0 HB2 ALA B 1 -2.894 -18.464 10.675 1.00 0.00 H new ATOM 0 HB3 ALA B 1 -2.080 -19.137 9.243 1.00 0.00 H new ATOM 1204 N ARG B 2 -3.518 -16.351 7.044 1.00 0.00 N ATOM 1205 CA ARG B 2 -3.167 -15.884 5.707 1.00 0.00 C ATOM 1206 C ARG B 2 -1.687 -16.116 5.419 1.00 0.00 C ATOM 1207 O ARG B 2 -1.328 -16.656 4.373 1.00 0.00 O ATOM 1208 CB ARG B 2 -3.502 -14.398 5.562 1.00 0.00 C ATOM 1209 CG ARG B 2 -3.187 -13.833 4.186 1.00 0.00 C ATOM 1210 CD ARG B 2 -3.525 -12.353 4.101 1.00 0.00 C ATOM 1211 NE ARG B 2 -4.946 -12.097 4.327 1.00 0.00 N ATOM 1212 CZ ARG B 2 -5.915 -12.528 3.524 1.00 0.00 C ATOM 1213 NH1 ARG B 2 -5.621 -13.225 2.433 1.00 0.00 N ATOM 1214 NH2 ARG B 2 -7.182 -12.257 3.809 1.00 0.00 N ATOM 0 H ARG B 2 -3.819 -15.614 7.682 1.00 0.00 H new ATOM 0 HA ARG B 2 -3.750 -16.454 4.984 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -4.562 -14.251 5.772 1.00 0.00 H new ATOM 0 HB3 ARG B 2 -2.947 -13.834 6.312 1.00 0.00 H new ATOM 0 HG2 ARG B 2 -2.130 -13.979 3.965 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -3.750 -14.380 3.429 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -2.937 -11.805 4.838 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -3.241 -11.973 3.120 1.00 0.00 H new ATOM 0 HE ARG B 2 -5.211 -11.555 5.150 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -4.648 -13.432 2.207 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -6.368 -13.553 1.821 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -7.413 -11.718 4.644 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -7.925 -12.587 3.193 1.00 0.00 H new ATOM 1228 N THR B 3 -0.836 -15.702 6.357 1.00 0.00 N ATOM 1229 CA THR B 3 0.610 -15.859 6.216 1.00 0.00 C ATOM 1230 C THR B 3 1.092 -15.382 4.849 1.00 0.00 C ATOM 1231 O THR B 3 1.828 -16.088 4.158 1.00 0.00 O ATOM 1232 CB THR B 3 1.048 -17.323 6.428 1.00 0.00 C ATOM 1233 OG1 THR B 3 0.422 -18.174 5.460 1.00 0.00 O ATOM 1234 CG2 THR B 3 0.693 -17.795 7.829 1.00 0.00 C ATOM 0 H THR B 3 -1.125 -15.253 7.226 1.00 0.00 H new ATOM 0 HA THR B 3 1.066 -15.241 6.990 1.00 0.00 H new ATOM 0 HB THR B 3 2.130 -17.374 6.305 1.00 0.00 H new ATOM 0 HG1 THR B 3 0.025 -17.626 4.751 1.00 0.00 H new ATOM 0 HG21 THR B 3 1.011 -18.830 7.956 1.00 0.00 H new ATOM 0 HG22 THR B 3 1.198 -17.167 8.563 1.00 0.00 H new ATOM 0 HG23 THR B 3 -0.385 -17.727 7.974 1.00 0.00 H new HETATM 1242 N MLY B 4 0.672 -14.181 4.464 1.00 0.00 N HETATM 1243 CA MLY B 4 1.059 -13.612 3.178 1.00 0.00 C HETATM 1244 CB MLY B 4 0.301 -14.307 2.046 1.00 0.00 C HETATM 1245 CG MLY B 4 0.760 -13.891 0.658 1.00 0.00 C HETATM 1246 CD MLY B 4 0.064 -14.704 -0.422 1.00 0.00 C HETATM 1247 CE MLY B 4 0.589 -14.359 -1.807 1.00 0.00 C HETATM 1248 NZ MLY B 4 -0.032 -15.204 -2.865 1.00 0.00 N HETATM 1249 CH1 MLY B 4 -0.062 -14.516 -4.021 1.00 0.00 C HETATM 1250 CH2 MLY B 4 0.703 -16.319 -3.034 1.00 0.00 C HETATM 1251 C MLY B 4 0.790 -12.110 3.152 1.00 0.00 C HETATM 1252 O MLY B 4 -0.256 -11.649 3.608 1.00 0.00 O HETATM 0 HH23 MLY B 4 1.715 -16.046 -3.333 1.00 0.00 H new HETATM 0 HH22 MLY B 4 0.740 -16.876 -2.098 1.00 0.00 H new HETATM 0 HH21 MLY B 4 0.251 -16.939 -3.808 1.00 0.00 H new HETATM 0 HH13 MLY B 4 -0.649 -13.607 -3.888 1.00 0.00 H new HETATM 0 HH12 MLY B 4 0.954 -14.252 -4.314 1.00 0.00 H new HETATM 0 HH11 MLY B 4 -0.516 -15.131 -4.799 1.00 0.00 H new HETATM 0 HG3 MLY B 4 0.554 -12.831 0.507 1.00 0.00 H new HETATM 0 HG2 MLY B 4 1.839 -14.021 0.575 1.00 0.00 H new HETATM 0 HE3 MLY B 4 0.390 -13.308 -2.019 1.00 0.00 H new HETATM 0 HE2 MLY B 4 1.671 -14.489 -1.828 1.00 0.00 H new HETATM 0 HD3 MLY B 4 0.212 -15.767 -0.230 1.00 0.00 H new HETATM 0 HD2 MLY B 4 -1.010 -14.519 -0.383 1.00 0.00 H new HETATM 0 HB3 MLY B 4 0.419 -15.386 2.150 1.00 0.00 H new HETATM 0 HB2 MLY B 4 -0.763 -14.092 2.147 1.00 0.00 H new HETATM 0 HA MLY B 4 2.128 -13.771 3.036 1.00 0.00 H new ATOM 1270 N GLN B 5 1.750 -11.351 2.630 1.00 0.00 N ATOM 1271 CA GLN B 5 1.628 -9.899 2.558 1.00 0.00 C ATOM 1272 C GLN B 5 0.417 -9.470 1.741 1.00 0.00 C ATOM 1273 O GLN B 5 0.223 -9.918 0.611 1.00 0.00 O ATOM 1274 CB GLN B 5 2.897 -9.281 1.968 1.00 0.00 C ATOM 1275 CG GLN B 5 4.066 -9.222 2.945 1.00 0.00 C ATOM 1276 CD GLN B 5 4.574 -10.589 3.365 1.00 0.00 C ATOM 1277 OE1 GLN B 5 3.862 -11.367 3.998 1.00 0.00 O ATOM 1278 NE2 GLN B 5 5.822 -10.884 3.019 1.00 0.00 N ATOM 0 H GLN B 5 2.622 -11.719 2.250 1.00 0.00 H new ATOM 0 HA GLN B 5 1.491 -9.538 3.577 1.00 0.00 H new ATOM 0 HB2 GLN B 5 3.197 -9.857 1.092 1.00 0.00 H new ATOM 0 HB3 GLN B 5 2.672 -8.271 1.624 1.00 0.00 H new ATOM 0 HG2 GLN B 5 4.883 -8.664 2.488 1.00 0.00 H new ATOM 0 HG3 GLN B 5 3.760 -8.669 3.833 1.00 0.00 H new ATOM 0 HE21 GLN B 5 6.379 -10.210 2.494 1.00 0.00 H new ATOM 0 HE22 GLN B 5 6.224 -11.785 3.279 1.00 0.00 H new ATOM 1287 N THR B 6 -0.383 -8.585 2.330 1.00 0.00 N ATOM 1288 CA THR B 6 -1.584 -8.058 1.690 1.00 0.00 C ATOM 1289 C THR B 6 -1.981 -6.730 2.319 1.00 0.00 C ATOM 1290 O THR B 6 -1.692 -6.479 3.488 1.00 0.00 O ATOM 1291 CB THR B 6 -2.776 -9.030 1.802 1.00 0.00 C ATOM 1292 OG1 THR B 6 -2.941 -9.450 3.161 1.00 0.00 O ATOM 1293 CG2 THR B 6 -2.585 -10.243 0.907 1.00 0.00 C ATOM 0 H THR B 6 -0.216 -8.213 3.265 1.00 0.00 H new ATOM 0 HA THR B 6 -1.344 -7.922 0.636 1.00 0.00 H new ATOM 0 HB THR B 6 -3.672 -8.503 1.473 1.00 0.00 H new ATOM 0 HG1 THR B 6 -3.411 -8.752 3.664 1.00 0.00 H new ATOM 0 HG21 THR B 6 -3.442 -10.909 1.009 1.00 0.00 H new ATOM 0 HG22 THR B 6 -2.498 -9.920 -0.130 1.00 0.00 H new ATOM 0 HG23 THR B 6 -1.678 -10.772 1.200 1.00 0.00 H new ATOM 1301 N ALA B 7 -2.639 -5.879 1.542 1.00 0.00 N ATOM 1302 CA ALA B 7 -3.065 -4.578 2.038 1.00 0.00 C ATOM 1303 C ALA B 7 -4.374 -4.143 1.389 1.00 0.00 C ATOM 1304 O ALA B 7 -4.529 -4.205 0.170 1.00 0.00 O ATOM 1305 CB ALA B 7 -1.979 -3.541 1.793 1.00 0.00 C ATOM 0 H ALA B 7 -2.888 -6.065 0.571 1.00 0.00 H new ATOM 0 HA ALA B 7 -3.236 -4.663 3.111 1.00 0.00 H new ATOM 0 HB1 ALA B 7 -2.309 -2.572 2.168 1.00 0.00 H new ATOM 0 HB2 ALA B 7 -1.068 -3.839 2.311 1.00 0.00 H new ATOM 0 HB3 ALA B 7 -1.781 -3.467 0.724 1.00 0.00 H new ATOM 1311 N ARG B 8 -5.314 -3.705 2.217 1.00 0.00 N ATOM 1312 CA ARG B 8 -6.615 -3.258 1.734 1.00 0.00 C ATOM 1313 C ARG B 8 -6.538 -1.822 1.224 1.00 0.00 C ATOM 1314 O ARG B 8 -5.861 -0.984 1.820 1.00 0.00 O ATOM 1315 CB ARG B 8 -7.653 -3.362 2.851 1.00 0.00 C ATOM 1316 CG ARG B 8 -7.825 -4.773 3.390 1.00 0.00 C ATOM 1317 CD ARG B 8 -8.797 -4.808 4.558 1.00 0.00 C ATOM 1318 NE ARG B 8 -8.326 -4.014 5.691 1.00 0.00 N ATOM 1319 CZ ARG B 8 -7.224 -4.289 6.385 1.00 0.00 C ATOM 1320 NH1 ARG B 8 -6.478 -5.341 6.070 1.00 0.00 N ATOM 1321 NH2 ARG B 8 -6.867 -3.514 7.399 1.00 0.00 N ATOM 0 H ARG B 8 -5.199 -3.650 3.229 1.00 0.00 H new ATOM 0 HA ARG B 8 -6.915 -3.902 0.907 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -7.363 -2.702 3.669 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -8.613 -3.004 2.479 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -8.186 -5.426 2.595 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -6.858 -5.163 3.708 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -9.768 -4.434 4.232 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -8.944 -5.840 4.876 1.00 0.00 H new ATOM 0 HE ARG B 8 -8.875 -3.200 5.967 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -6.748 -5.943 5.293 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -5.635 -5.547 6.605 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -7.437 -2.706 7.648 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -6.022 -3.726 7.930 1.00 0.00 H new HETATM 1335 N MLY B 9 -7.238 -1.543 0.125 1.00 0.00 N HETATM 1336 CA MLY B 9 -7.248 -0.201 -0.453 1.00 0.00 C HETATM 1337 CB MLY B 9 -8.261 -0.105 -1.601 1.00 0.00 C HETATM 1338 CG MLY B 9 -7.873 -0.879 -2.854 1.00 0.00 C HETATM 1339 CD MLY B 9 -7.916 -2.384 -2.637 1.00 0.00 C HETATM 1340 CE MLY B 9 -7.702 -3.140 -3.940 1.00 0.00 C HETATM 1341 NZ MLY B 9 -6.386 -2.824 -4.564 1.00 0.00 N HETATM 1342 CH1 MLY B 9 -5.755 -3.971 -4.870 1.00 0.00 C HETATM 1343 CH2 MLY B 9 -6.585 -2.115 -5.691 1.00 0.00 C HETATM 1344 C MLY B 9 -7.588 0.832 0.615 1.00 0.00 C HETATM 1345 O MLY B 9 -6.911 1.852 0.748 1.00 0.00 O HETATM 0 HH23 MLY B 9 -7.187 -2.699 -6.387 1.00 0.00 H new HETATM 0 HH22 MLY B 9 -7.106 -1.188 -5.451 1.00 0.00 H new HETATM 0 HH21 MLY B 9 -5.624 -1.883 -6.149 1.00 0.00 H new HETATM 0 HH13 MLY B 9 -5.599 -4.554 -3.962 1.00 0.00 H new HETATM 0 HH12 MLY B 9 -6.363 -4.545 -5.569 1.00 0.00 H new HETATM 0 HH11 MLY B 9 -4.791 -3.745 -5.327 1.00 0.00 H new HETATM 0 HG3 MLY B 9 -8.548 -0.612 -3.667 1.00 0.00 H new HETATM 0 HG2 MLY B 9 -6.869 -0.587 -3.163 1.00 0.00 H new HETATM 0 HE3 MLY B 9 -7.765 -4.212 -3.751 1.00 0.00 H new HETATM 0 HE2 MLY B 9 -8.502 -2.892 -4.638 1.00 0.00 H new HETATM 0 HD3 MLY B 9 -7.149 -2.671 -1.918 1.00 0.00 H new HETATM 0 HD2 MLY B 9 -8.877 -2.664 -2.206 1.00 0.00 H new HETATM 0 HB3 MLY B 9 -9.226 -0.470 -1.248 1.00 0.00 H new HETATM 0 HB2 MLY B 9 -8.394 0.944 -1.864 1.00 0.00 H new HETATM 0 HA MLY B 9 -6.252 0.001 -0.848 1.00 0.00 H new HETATM 0 H MLY B 9 -7.857 -2.263 -0.247 1.00 0.00 H new ATOM 1363 N SER B 10 -8.639 0.546 1.376 1.00 0.00 N ATOM 1364 CA SER B 10 -9.090 1.426 2.449 1.00 0.00 C ATOM 1365 C SER B 10 -10.311 0.824 3.134 1.00 0.00 C ATOM 1366 O SER B 10 -11.215 0.316 2.469 1.00 0.00 O ATOM 1367 CB SER B 10 -9.424 2.816 1.903 1.00 0.00 C ATOM 1368 OG SER B 10 -10.513 2.762 0.997 1.00 0.00 O ATOM 0 H SER B 10 -9.200 -0.299 1.268 1.00 0.00 H new ATOM 0 HA SER B 10 -8.285 1.528 3.177 1.00 0.00 H new ATOM 0 HB2 SER B 10 -9.667 3.485 2.728 1.00 0.00 H new ATOM 0 HB3 SER B 10 -8.550 3.232 1.401 1.00 0.00 H new ATOM 0 HG SER B 10 -10.707 3.663 0.664 1.00 0.00 H new ATOM 1374 N THR B 11 -10.329 0.869 4.462 1.00 0.00 N ATOM 1375 CA THR B 11 -11.439 0.312 5.227 1.00 0.00 C ATOM 1376 C THR B 11 -12.778 0.847 4.730 1.00 0.00 C ATOM 1377 O THR B 11 -13.021 2.054 4.744 1.00 0.00 O ATOM 1378 CB THR B 11 -11.299 0.628 6.728 1.00 0.00 C ATOM 1379 OG1 THR B 11 -11.275 2.047 6.932 1.00 0.00 O ATOM 1380 CG2 THR B 11 -10.031 0.008 7.296 1.00 0.00 C ATOM 0 H THR B 11 -9.590 1.284 5.030 1.00 0.00 H new ATOM 0 HA THR B 11 -11.409 -0.768 5.084 1.00 0.00 H new ATOM 0 HB THR B 11 -12.158 0.202 7.247 1.00 0.00 H new ATOM 0 HG1 THR B 11 -11.782 2.489 6.219 1.00 0.00 H new ATOM 0 HG21 THR B 11 -9.954 0.245 8.357 1.00 0.00 H new ATOM 0 HG22 THR B 11 -10.066 -1.074 7.167 1.00 0.00 H new ATOM 0 HG23 THR B 11 -9.164 0.408 6.771 1.00 0.00 H new ATOM 1388 N GLY B 12 -13.643 -0.063 4.290 1.00 0.00 N ATOM 1389 CA GLY B 12 -14.949 0.333 3.793 1.00 0.00 C ATOM 1390 C GLY B 12 -15.821 0.933 4.876 1.00 0.00 C ATOM 1391 O GLY B 12 -15.871 0.422 5.995 1.00 0.00 O ATOM 0 H GLY B 12 -13.463 -1.067 4.269 1.00 0.00 H new ATOM 0 HA2 GLY B 12 -14.824 1.057 2.988 1.00 0.00 H new ATOM 0 HA3 GLY B 12 -15.451 -0.535 3.366 1.00 0.00 H new ATOM 1395 N GLY B 13 -16.510 2.021 4.546 1.00 0.00 N ATOM 1396 CA GLY B 13 -17.373 2.671 5.515 1.00 0.00 C ATOM 1397 C GLY B 13 -16.598 3.236 6.689 1.00 0.00 C ATOM 1398 O GLY B 13 -15.691 4.050 6.508 1.00 0.00 O ATOM 0 H GLY B 13 -16.486 2.463 3.627 1.00 0.00 H new ATOM 0 HA2 GLY B 13 -17.924 3.474 5.026 1.00 0.00 H new ATOM 0 HA3 GLY B 13 -18.110 1.955 5.880 1.00 0.00 H new ATOM 1402 N LYS B 14 -16.956 2.805 7.894 1.00 0.00 N ATOM 1403 CA LYS B 14 -16.289 3.274 9.104 1.00 0.00 C ATOM 1404 C LYS B 14 -16.612 2.368 10.289 1.00 0.00 C ATOM 1405 O LYS B 14 -16.951 2.841 11.374 1.00 0.00 O ATOM 1406 CB LYS B 14 -16.701 4.717 9.412 1.00 0.00 C ATOM 1407 CG LYS B 14 -18.200 4.902 9.583 1.00 0.00 C ATOM 1408 CD LYS B 14 -18.552 6.351 9.878 1.00 0.00 C ATOM 1409 CE LYS B 14 -20.049 6.533 10.066 1.00 0.00 C ATOM 1410 NZ LYS B 14 -20.404 7.950 10.355 1.00 0.00 N ATOM 0 H LYS B 14 -17.704 2.132 8.059 1.00 0.00 H new ATOM 0 HA LYS B 14 -15.213 3.243 8.934 1.00 0.00 H new ATOM 0 HB2 LYS B 14 -16.198 5.043 10.322 1.00 0.00 H new ATOM 0 HB3 LYS B 14 -16.354 5.364 8.607 1.00 0.00 H new ATOM 0 HG2 LYS B 14 -18.713 4.579 8.677 1.00 0.00 H new ATOM 0 HG3 LYS B 14 -18.556 4.267 10.395 1.00 0.00 H new ATOM 0 HD2 LYS B 14 -18.029 6.678 10.777 1.00 0.00 H new ATOM 0 HD3 LYS B 14 -18.207 6.984 9.060 1.00 0.00 H new ATOM 0 HE2 LYS B 14 -20.570 6.204 9.167 1.00 0.00 H new ATOM 0 HE3 LYS B 14 -20.392 5.899 10.883 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 -21.434 8.032 10.477 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 -19.927 8.257 11.227 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 -20.100 8.552 9.564 1.00 0.00 H new ATOM 1424 N ALA B 15 -16.501 1.060 10.069 1.00 0.00 N ATOM 1425 CA ALA B 15 -16.776 0.080 11.113 1.00 0.00 C ATOM 1426 C ALA B 15 -15.923 0.345 12.353 1.00 0.00 C ATOM 1427 O ALA B 15 -14.739 0.664 12.242 1.00 0.00 O ATOM 1428 CB ALA B 15 -16.531 -1.328 10.592 1.00 0.00 C ATOM 0 H ALA B 15 -16.222 0.655 9.175 1.00 0.00 H new ATOM 0 HA ALA B 15 -17.824 0.172 11.398 1.00 0.00 H new ATOM 0 HB1 ALA B 15 -16.740 -2.050 11.382 1.00 0.00 H new ATOM 0 HB2 ALA B 15 -17.186 -1.520 9.742 1.00 0.00 H new ATOM 0 HB3 ALA B 15 -15.491 -1.424 10.279 1.00 0.00 H new ATOM 1434 N PRO B 16 -16.517 0.221 13.556 1.00 0.00 N ATOM 1435 CA PRO B 16 -15.804 0.455 14.818 1.00 0.00 C ATOM 1436 C PRO B 16 -14.526 -0.369 14.929 1.00 0.00 C ATOM 1437 O PRO B 16 -14.507 -1.554 14.595 1.00 0.00 O ATOM 1438 CB PRO B 16 -16.813 0.020 15.884 1.00 0.00 C ATOM 1439 CG PRO B 16 -18.142 0.178 15.232 1.00 0.00 C ATOM 1440 CD PRO B 16 -17.928 -0.148 13.781 1.00 0.00 C ATOM 0 HA PRO B 16 -15.481 1.492 14.913 1.00 0.00 H new ATOM 0 HB2 PRO B 16 -16.643 -1.012 16.193 1.00 0.00 H new ATOM 0 HB3 PRO B 16 -16.735 0.637 16.779 1.00 0.00 H new ATOM 0 HG2 PRO B 16 -18.878 -0.490 15.678 1.00 0.00 H new ATOM 0 HG3 PRO B 16 -18.519 1.194 15.353 1.00 0.00 H new ATOM 0 HD2 PRO B 16 -18.106 -1.204 13.575 1.00 0.00 H new ATOM 0 HD3 PRO B 16 -18.600 0.420 13.138 1.00 0.00 H new ATOM 1448 N GLY B 17 -13.460 0.271 15.400 1.00 0.00 N ATOM 1449 CA GLY B 17 -12.188 -0.411 15.550 1.00 0.00 C ATOM 1450 C GLY B 17 -11.121 0.482 16.154 1.00 0.00 C ATOM 1451 O GLY B 17 -10.951 1.627 15.734 1.00 0.00 O ATOM 0 H GLY B 17 -13.455 1.252 15.681 1.00 0.00 H new ATOM 0 HA2 GLY B 17 -12.322 -1.290 16.181 1.00 0.00 H new ATOM 0 HA3 GLY B 17 -11.852 -0.766 14.576 1.00 0.00 H new ATOM 1455 N GLY B 18 -10.402 -0.042 17.142 1.00 0.00 N ATOM 1456 CA GLY B 18 -9.355 0.727 17.792 1.00 0.00 C ATOM 1457 C GLY B 18 -8.214 1.068 16.853 1.00 0.00 C ATOM 1458 O GLY B 18 -7.286 0.243 16.722 1.00 0.00 O ATOM 1459 OXT GLY B 18 -8.248 2.162 16.250 1.00 0.00 O ATOM 0 H GLY B 18 -10.526 -0.987 17.505 1.00 0.00 H new ATOM 0 HA2 GLY B 18 -9.780 1.648 18.191 1.00 0.00 H new ATOM 0 HA3 GLY B 18 -8.967 0.162 18.639 1.00 0.00 H new TER 1463 GLY B 18