USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 560 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: B 1 GLY N :NH3+ 170:sc= 1.33 (180deg=0) USER MOD Set 1.2: B 5 GLN : amide:sc= -0.985! C(o=0.35!,f=-8.1!) USER MOD Set 2.1: A 17 ASN : amide:sc= -2.17! C(o=-4.5!,f=-11!) USER MOD Set 2.2: B 17 ASN : amide:sc= -2.36! C(o=-4.5!,f=-11!) USER MOD Set 3.1: A 1 GLY N :NH3+ 173:sc= 1.27 (180deg=0) USER MOD Set 3.2: A 5 GLN : amide:sc= -0.97! C(o=0.3!,f=-7.7!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl -153:sc= -1.23 (180deg=-3.07!) USER MOD Single : A 4 LYS NZ :NH3+ 166:sc= -0.0118 (180deg=-0.195) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 70:sc= 1.26 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -0.486 K(o=-0.49,f=0.11) USER MOD Single : A 22 ASN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 28 LYS NZ :NH3+ -146:sc= 0.115 (180deg=-0.32) USER MOD Single : A 29 LYS NZ :NH3+ -168:sc= -0.022 (180deg=-0.194) USER MOD Single : B 2 SER OG : rot 180:sc= 0 USER MOD Single : B 3 MET CE :methyl -155:sc= -1.21 (180deg=-3.15!) USER MOD Single : B 4 LYS NZ :NH3+ 165:sc= -0.0142 (180deg=-0.222) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 SER OG : rot 71:sc= 1.29 USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 HIS : no HD1:sc= -0.406 K(o=-0.41,f=0.094) USER MOD Single : B 22 ASN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : B 28 LYS NZ :NH3+ -147:sc= 0.0848 (180deg=-0.336) USER MOD Single : B 29 LYS NZ :NH3+ -169:sc=-0.00975 (180deg=-0.171) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -23.645 -5.862 -6.318 1.00 0.00 N ATOM 2 CA GLY A 1 -24.086 -5.019 -5.181 1.00 0.00 C ATOM 3 C GLY A 1 -23.113 -3.894 -4.898 1.00 0.00 C ATOM 4 O GLY A 1 -22.643 -3.223 -5.819 1.00 0.00 O ATOM 0 H1 GLY A 1 -24.273 -6.686 -6.403 1.00 0.00 H new ATOM 0 H2 GLY A 1 -23.681 -5.307 -7.197 1.00 0.00 H new ATOM 0 H3 GLY A 1 -22.670 -6.185 -6.153 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -25.069 -4.602 -5.399 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -24.193 -5.638 -4.291 1.00 0.00 H new ATOM 10 N SER A 2 -22.801 -3.687 -3.629 1.00 0.00 N ATOM 11 CA SER A 2 -21.872 -2.640 -3.235 1.00 0.00 C ATOM 12 C SER A 2 -20.897 -3.138 -2.172 1.00 0.00 C ATOM 13 O SER A 2 -19.725 -2.764 -2.174 1.00 0.00 O ATOM 14 CB SER A 2 -22.640 -1.416 -2.722 1.00 0.00 C ATOM 15 OG SER A 2 -23.733 -1.802 -1.897 1.00 0.00 O ATOM 0 H SER A 2 -23.178 -4.231 -2.853 1.00 0.00 H new ATOM 0 HA SER A 2 -21.293 -2.353 -4.113 1.00 0.00 H new ATOM 0 HB2 SER A 2 -21.966 -0.771 -2.159 1.00 0.00 H new ATOM 0 HB3 SER A 2 -23.007 -0.833 -3.567 1.00 0.00 H new ATOM 0 HG SER A 2 -24.204 -1.002 -1.582 1.00 0.00 H new ATOM 21 N MET A 3 -21.383 -4.005 -1.291 1.00 0.00 N ATOM 22 CA MET A 3 -20.604 -4.477 -0.151 1.00 0.00 C ATOM 23 C MET A 3 -19.298 -5.132 -0.594 1.00 0.00 C ATOM 24 O MET A 3 -18.216 -4.665 -0.242 1.00 0.00 O ATOM 25 CB MET A 3 -21.434 -5.463 0.682 1.00 0.00 C ATOM 26 CG MET A 3 -20.715 -6.014 1.910 1.00 0.00 C ATOM 27 SD MET A 3 -20.915 -4.996 3.394 1.00 0.00 S ATOM 28 CE MET A 3 -20.019 -3.507 2.958 1.00 0.00 C ATOM 0 H MET A 3 -22.322 -4.399 -1.345 1.00 0.00 H new ATOM 0 HA MET A 3 -20.350 -3.611 0.461 1.00 0.00 H new ATOM 0 HB2 MET A 3 -22.349 -4.966 1.005 1.00 0.00 H new ATOM 0 HB3 MET A 3 -21.731 -6.297 0.046 1.00 0.00 H new ATOM 0 HG2 MET A 3 -21.087 -7.018 2.117 1.00 0.00 H new ATOM 0 HG3 MET A 3 -19.652 -6.107 1.686 1.00 0.00 H new ATOM 0 HE1 MET A 3 -19.650 -3.026 3.864 1.00 0.00 H new ATOM 0 HE2 MET A 3 -19.178 -3.764 2.315 1.00 0.00 H new ATOM 0 HE3 MET A 3 -20.684 -2.824 2.430 1.00 0.00 H new ATOM 38 N LYS A 4 -19.396 -6.190 -1.389 1.00 0.00 N ATOM 39 CA LYS A 4 -18.210 -6.938 -1.797 1.00 0.00 C ATOM 40 C LYS A 4 -17.566 -6.317 -3.034 1.00 0.00 C ATOM 41 O LYS A 4 -16.491 -6.726 -3.447 1.00 0.00 O ATOM 42 CB LYS A 4 -18.548 -8.407 -2.066 1.00 0.00 C ATOM 43 CG LYS A 4 -19.465 -8.621 -3.259 1.00 0.00 C ATOM 44 CD LYS A 4 -19.532 -10.087 -3.659 1.00 0.00 C ATOM 45 CE LYS A 4 -20.245 -10.934 -2.617 1.00 0.00 C ATOM 46 NZ LYS A 4 -21.679 -10.565 -2.482 1.00 0.00 N ATOM 0 H LYS A 4 -20.275 -6.548 -1.762 1.00 0.00 H new ATOM 0 HA LYS A 4 -17.498 -6.891 -0.973 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -17.622 -8.958 -2.229 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -19.019 -8.829 -1.178 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -20.466 -8.263 -3.018 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -19.109 -8.029 -4.102 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -20.049 -10.178 -4.614 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -18.522 -10.469 -3.806 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -20.166 -11.986 -2.890 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -19.749 -10.817 -1.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -22.179 -11.305 -1.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -21.758 -9.660 -1.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -22.104 -10.471 -3.427 1.00 0.00 H new ATOM 60 N GLN A 5 -18.220 -5.317 -3.601 1.00 0.00 N ATOM 61 CA GLN A 5 -17.718 -4.638 -4.792 1.00 0.00 C ATOM 62 C GLN A 5 -16.733 -3.567 -4.379 1.00 0.00 C ATOM 63 O GLN A 5 -15.626 -3.471 -4.913 1.00 0.00 O ATOM 64 CB GLN A 5 -18.865 -4.005 -5.590 1.00 0.00 C ATOM 65 CG GLN A 5 -19.461 -4.905 -6.664 1.00 0.00 C ATOM 66 CD GLN A 5 -19.904 -6.254 -6.139 1.00 0.00 C ATOM 67 OE1 GLN A 5 -21.028 -6.408 -5.666 1.00 0.00 O ATOM 68 NE2 GLN A 5 -19.031 -7.242 -6.236 1.00 0.00 N ATOM 0 H GLN A 5 -19.107 -4.952 -3.255 1.00 0.00 H new ATOM 0 HA GLN A 5 -17.225 -5.372 -5.429 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -19.655 -3.715 -4.898 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -18.502 -3.091 -6.060 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -20.315 -4.401 -7.117 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -18.724 -5.054 -7.453 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -18.108 -7.070 -6.635 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -19.280 -8.176 -5.911 1.00 0.00 H new ATOM 77 N LEU A 6 -17.144 -2.772 -3.405 1.00 0.00 N ATOM 78 CA LEU A 6 -16.273 -1.782 -2.812 1.00 0.00 C ATOM 79 C LEU A 6 -15.169 -2.494 -2.056 1.00 0.00 C ATOM 80 O LEU A 6 -13.998 -2.144 -2.177 1.00 0.00 O ATOM 81 CB LEU A 6 -17.053 -0.858 -1.865 1.00 0.00 C ATOM 82 CG LEU A 6 -17.757 0.355 -2.501 1.00 0.00 C ATOM 83 CD1 LEU A 6 -16.740 1.401 -2.941 1.00 0.00 C ATOM 84 CD2 LEU A 6 -18.628 -0.063 -3.678 1.00 0.00 C ATOM 0 H LEU A 6 -18.084 -2.797 -3.009 1.00 0.00 H new ATOM 0 HA LEU A 6 -15.846 -1.163 -3.601 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -17.805 -1.456 -1.351 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -16.364 -0.490 -1.105 1.00 0.00 H new ATOM 0 HG LEU A 6 -18.404 0.795 -1.742 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -17.260 2.249 -3.387 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -16.169 1.740 -2.076 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -16.062 0.964 -3.674 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -19.111 0.817 -4.104 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -18.009 -0.541 -4.437 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -19.389 -0.765 -3.336 1.00 0.00 H new ATOM 96 N GLU A 7 -15.556 -3.525 -1.303 1.00 0.00 N ATOM 97 CA GLU A 7 -14.595 -4.338 -0.570 1.00 0.00 C ATOM 98 C GLU A 7 -13.608 -5.000 -1.525 1.00 0.00 C ATOM 99 O GLU A 7 -12.436 -5.175 -1.185 1.00 0.00 O ATOM 100 CB GLU A 7 -15.307 -5.400 0.270 1.00 0.00 C ATOM 101 CG GLU A 7 -14.371 -6.200 1.161 1.00 0.00 C ATOM 102 CD GLU A 7 -15.102 -7.223 2.006 1.00 0.00 C ATOM 103 OE1 GLU A 7 -15.204 -8.387 1.571 1.00 0.00 O ATOM 104 OE2 GLU A 7 -15.573 -6.857 3.102 1.00 0.00 O ATOM 0 H GLU A 7 -16.528 -3.813 -1.187 1.00 0.00 H new ATOM 0 HA GLU A 7 -14.043 -3.679 0.101 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -16.060 -4.915 0.891 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -15.835 -6.084 -0.395 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -13.632 -6.708 0.542 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -13.826 -5.518 1.814 1.00 0.00 H new ATOM 111 N ASP A 8 -14.074 -5.361 -2.726 1.00 0.00 N ATOM 112 CA ASP A 8 -13.173 -5.913 -3.739 1.00 0.00 C ATOM 113 C ASP A 8 -12.044 -4.937 -4.029 1.00 0.00 C ATOM 114 O ASP A 8 -10.883 -5.325 -4.119 1.00 0.00 O ATOM 115 CB ASP A 8 -13.904 -6.244 -5.042 1.00 0.00 C ATOM 116 CG ASP A 8 -14.242 -7.718 -5.166 1.00 0.00 C ATOM 117 OD1 ASP A 8 -13.354 -8.554 -4.898 1.00 0.00 O ATOM 118 OD2 ASP A 8 -15.386 -8.036 -5.550 1.00 0.00 O ATOM 0 H ASP A 8 -15.049 -5.283 -3.015 1.00 0.00 H new ATOM 0 HA ASP A 8 -12.768 -6.841 -3.334 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -14.822 -5.659 -5.097 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -13.284 -5.945 -5.887 1.00 0.00 H new ATOM 123 N LYS A 9 -12.395 -3.665 -4.155 1.00 0.00 N ATOM 124 CA LYS A 9 -11.417 -2.624 -4.435 1.00 0.00 C ATOM 125 C LYS A 9 -10.509 -2.396 -3.226 1.00 0.00 C ATOM 126 O LYS A 9 -9.301 -2.203 -3.375 1.00 0.00 O ATOM 127 CB LYS A 9 -12.129 -1.324 -4.833 1.00 0.00 C ATOM 128 CG LYS A 9 -11.187 -0.163 -5.126 1.00 0.00 C ATOM 129 CD LYS A 9 -11.943 1.079 -5.583 1.00 0.00 C ATOM 130 CE LYS A 9 -12.592 0.874 -6.945 1.00 0.00 C ATOM 131 NZ LYS A 9 -13.222 2.120 -7.453 1.00 0.00 N ATOM 0 H LYS A 9 -13.354 -3.328 -4.067 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.793 -2.947 -5.268 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -12.741 -1.513 -5.715 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -12.807 -1.034 -4.031 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -10.610 0.071 -4.231 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -10.475 -0.459 -5.896 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -12.709 1.329 -4.849 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -11.258 1.925 -5.630 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -11.841 0.531 -7.657 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -13.345 0.090 -6.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -13.652 1.938 -8.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -13.956 2.434 -6.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -12.499 2.862 -7.546 1.00 0.00 H new ATOM 145 N VAL A 10 -11.095 -2.437 -2.031 1.00 0.00 N ATOM 146 CA VAL A 10 -10.327 -2.273 -0.799 1.00 0.00 C ATOM 147 C VAL A 10 -9.267 -3.370 -0.693 1.00 0.00 C ATOM 148 O VAL A 10 -8.092 -3.095 -0.453 1.00 0.00 O ATOM 149 CB VAL A 10 -11.219 -2.342 0.465 1.00 0.00 C ATOM 150 CG1 VAL A 10 -10.455 -1.863 1.682 1.00 0.00 C ATOM 151 CG2 VAL A 10 -12.491 -1.534 0.315 1.00 0.00 C ATOM 0 H VAL A 10 -12.095 -2.582 -1.890 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.866 -1.286 -0.847 1.00 0.00 H new ATOM 0 HB VAL A 10 -11.500 -3.387 0.596 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -11.098 -1.919 2.560 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -9.579 -2.494 1.833 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -10.138 -0.831 1.530 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -13.083 -1.614 1.227 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -12.239 -0.489 0.136 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -13.068 -1.917 -0.527 1.00 0.00 H new ATOM 161 N GLU A 11 -9.695 -4.612 -0.895 1.00 0.00 N ATOM 162 CA GLU A 11 -8.811 -5.771 -0.805 1.00 0.00 C ATOM 163 C GLU A 11 -7.711 -5.717 -1.872 1.00 0.00 C ATOM 164 O GLU A 11 -6.603 -6.206 -1.655 1.00 0.00 O ATOM 165 CB GLU A 11 -9.639 -7.056 -0.958 1.00 0.00 C ATOM 166 CG GLU A 11 -8.822 -8.342 -1.035 1.00 0.00 C ATOM 167 CD GLU A 11 -8.118 -8.685 0.263 1.00 0.00 C ATOM 168 OE1 GLU A 11 -8.774 -9.243 1.165 1.00 0.00 O ATOM 169 OE2 GLU A 11 -6.904 -8.407 0.371 1.00 0.00 O ATOM 0 H GLU A 11 -10.661 -4.844 -1.125 1.00 0.00 H new ATOM 0 HA GLU A 11 -8.325 -5.762 0.171 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -10.327 -7.130 -0.116 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -10.246 -6.974 -1.859 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -9.480 -9.166 -1.312 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -8.080 -8.246 -1.828 1.00 0.00 H new ATOM 176 N GLU A 12 -8.016 -5.123 -3.020 1.00 0.00 N ATOM 177 CA GLU A 12 -7.027 -4.966 -4.081 1.00 0.00 C ATOM 178 C GLU A 12 -5.918 -4.024 -3.632 1.00 0.00 C ATOM 179 O GLU A 12 -4.733 -4.287 -3.854 1.00 0.00 O ATOM 180 CB GLU A 12 -7.678 -4.447 -5.362 1.00 0.00 C ATOM 181 CG GLU A 12 -8.570 -5.468 -6.045 1.00 0.00 C ATOM 182 CD GLU A 12 -9.230 -4.925 -7.295 1.00 0.00 C ATOM 183 OE1 GLU A 12 -8.594 -4.972 -8.369 1.00 0.00 O ATOM 184 OE2 GLU A 12 -10.383 -4.454 -7.203 1.00 0.00 O ATOM 0 H GLU A 12 -8.937 -4.743 -3.240 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.595 -5.944 -4.292 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -8.267 -3.561 -5.127 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -6.898 -4.136 -6.056 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -7.978 -6.346 -6.304 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -9.339 -5.797 -5.347 1.00 0.00 H new ATOM 191 N LEU A 13 -6.303 -2.935 -2.982 1.00 0.00 N ATOM 192 CA LEU A 13 -5.331 -2.018 -2.408 1.00 0.00 C ATOM 193 C LEU A 13 -4.649 -2.664 -1.215 1.00 0.00 C ATOM 194 O LEU A 13 -3.496 -2.369 -0.916 1.00 0.00 O ATOM 195 CB LEU A 13 -5.989 -0.708 -1.981 1.00 0.00 C ATOM 196 CG LEU A 13 -6.613 0.110 -3.109 1.00 0.00 C ATOM 197 CD1 LEU A 13 -7.103 1.440 -2.576 1.00 0.00 C ATOM 198 CD2 LEU A 13 -5.616 0.323 -4.237 1.00 0.00 C ATOM 0 H LEU A 13 -7.277 -2.666 -2.840 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.589 -1.792 -3.174 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.763 -0.932 -1.247 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.242 -0.093 -1.479 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.463 -0.443 -3.509 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.546 2.016 -3.388 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.851 1.268 -1.802 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.265 1.994 -2.154 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.083 0.908 -5.029 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.745 0.857 -3.857 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.305 -0.643 -4.635 1.00 0.00 H new ATOM 210 N LEU A 14 -5.377 -3.543 -0.538 1.00 0.00 N ATOM 211 CA LEU A 14 -4.834 -4.315 0.572 1.00 0.00 C ATOM 212 C LEU A 14 -3.733 -5.243 0.068 1.00 0.00 C ATOM 213 O LEU A 14 -2.779 -5.553 0.779 1.00 0.00 O ATOM 214 CB LEU A 14 -5.938 -5.149 1.220 1.00 0.00 C ATOM 215 CG LEU A 14 -5.689 -5.546 2.677 1.00 0.00 C ATOM 216 CD1 LEU A 14 -5.800 -4.334 3.585 1.00 0.00 C ATOM 217 CD2 LEU A 14 -6.665 -6.625 3.113 1.00 0.00 C ATOM 0 H LEU A 14 -6.357 -3.740 -0.742 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.422 -3.626 1.309 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.872 -4.589 1.168 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.077 -6.056 0.632 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.678 -5.946 2.754 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.620 -4.635 4.617 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.061 -3.589 3.290 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.799 -3.906 3.501 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.471 -6.893 4.152 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.685 -6.253 3.019 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.540 -7.505 2.482 1.00 0.00 H new ATOM 229 N SER A 15 -3.886 -5.672 -1.175 1.00 0.00 N ATOM 230 CA SER A 15 -2.931 -6.557 -1.813 1.00 0.00 C ATOM 231 C SER A 15 -1.674 -5.785 -2.185 1.00 0.00 C ATOM 232 O SER A 15 -0.562 -6.290 -2.041 1.00 0.00 O ATOM 233 CB SER A 15 -3.556 -7.201 -3.049 1.00 0.00 C ATOM 234 OG SER A 15 -4.752 -7.886 -2.711 1.00 0.00 O ATOM 0 H SER A 15 -4.676 -5.415 -1.767 1.00 0.00 H new ATOM 0 HA SER A 15 -2.656 -7.348 -1.115 1.00 0.00 H new ATOM 0 HB2 SER A 15 -3.769 -6.435 -3.795 1.00 0.00 H new ATOM 0 HB3 SER A 15 -2.848 -7.897 -3.499 1.00 0.00 H new ATOM 0 HG SER A 15 -5.449 -7.235 -2.483 1.00 0.00 H new ATOM 240 N LYS A 16 -1.845 -4.550 -2.648 1.00 0.00 N ATOM 241 CA LYS A 16 -0.696 -3.698 -2.898 1.00 0.00 C ATOM 242 C LYS A 16 -0.065 -3.299 -1.575 1.00 0.00 C ATOM 243 O LYS A 16 1.148 -3.197 -1.474 1.00 0.00 O ATOM 244 CB LYS A 16 -1.053 -2.458 -3.721 1.00 0.00 C ATOM 245 CG LYS A 16 -1.557 -2.783 -5.118 1.00 0.00 C ATOM 246 CD LYS A 16 -1.490 -1.576 -6.048 1.00 0.00 C ATOM 247 CE LYS A 16 -2.381 -0.435 -5.585 1.00 0.00 C ATOM 248 NZ LYS A 16 -2.395 0.679 -6.565 1.00 0.00 N ATOM 0 H LYS A 16 -2.750 -4.127 -2.853 1.00 0.00 H new ATOM 0 HA LYS A 16 0.019 -4.268 -3.491 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.816 -1.887 -3.192 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.174 -1.818 -3.800 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.964 -3.596 -5.537 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.586 -3.137 -5.058 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.460 -1.226 -6.110 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.785 -1.879 -7.053 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.396 -0.803 -5.437 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.031 -0.067 -4.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.013 1.440 -6.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.430 1.046 -6.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.753 0.333 -7.478 1.00 0.00 H new ATOM 262 N ASN A 17 -0.897 -3.113 -0.550 1.00 0.00 N ATOM 263 CA ASN A 17 -0.400 -2.866 0.798 1.00 0.00 C ATOM 264 C ASN A 17 0.464 -4.026 1.248 1.00 0.00 C ATOM 265 O ASN A 17 1.453 -3.840 1.949 1.00 0.00 O ATOM 266 CB ASN A 17 -1.546 -2.671 1.792 1.00 0.00 C ATOM 267 CG ASN A 17 -1.915 -1.217 1.983 1.00 0.00 C ATOM 268 OD1 ASN A 17 -1.357 -0.535 2.835 1.00 0.00 O ATOM 269 ND2 ASN A 17 -2.864 -0.734 1.202 1.00 0.00 N ATOM 0 H ASN A 17 -1.914 -3.129 -0.630 1.00 0.00 H new ATOM 0 HA ASN A 17 0.190 -1.950 0.773 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -2.421 -3.220 1.443 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -1.263 -3.099 2.754 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -3.156 0.239 1.296 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.305 -1.334 0.504 1.00 0.00 H new ATOM 276 N TYR A 18 0.078 -5.231 0.848 1.00 0.00 N ATOM 277 CA TYR A 18 0.890 -6.406 1.120 1.00 0.00 C ATOM 278 C TYR A 18 2.223 -6.312 0.375 1.00 0.00 C ATOM 279 O TYR A 18 3.289 -6.446 0.971 1.00 0.00 O ATOM 280 CB TYR A 18 0.143 -7.680 0.718 1.00 0.00 C ATOM 281 CG TYR A 18 0.948 -8.947 0.907 1.00 0.00 C ATOM 282 CD1 TYR A 18 1.593 -9.547 -0.167 1.00 0.00 C ATOM 283 CD2 TYR A 18 1.059 -9.544 2.157 1.00 0.00 C ATOM 284 CE1 TYR A 18 2.328 -10.702 -0.001 1.00 0.00 C ATOM 285 CE2 TYR A 18 1.794 -10.700 2.331 1.00 0.00 C ATOM 286 CZ TYR A 18 2.424 -11.276 1.247 1.00 0.00 C ATOM 287 OH TYR A 18 3.157 -12.430 1.411 1.00 0.00 O ATOM 0 H TYR A 18 -0.785 -5.418 0.338 1.00 0.00 H new ATOM 0 HA TYR A 18 1.090 -6.449 2.191 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -0.773 -7.752 1.304 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -0.153 -7.602 -0.328 1.00 0.00 H new ATOM 0 HD1 TYR A 18 1.518 -9.102 -1.148 1.00 0.00 H new ATOM 0 HD2 TYR A 18 0.563 -9.097 3.006 1.00 0.00 H new ATOM 0 HE1 TYR A 18 2.826 -11.154 -0.846 1.00 0.00 H new ATOM 0 HE2 TYR A 18 1.875 -11.150 3.309 1.00 0.00 H new ATOM 0 HH TYR A 18 3.126 -12.706 2.351 1.00 0.00 H new ATOM 297 N HIS A 19 2.149 -6.050 -0.926 1.00 0.00 N ATOM 298 CA HIS A 19 3.340 -5.994 -1.776 1.00 0.00 C ATOM 299 C HIS A 19 4.281 -4.865 -1.359 1.00 0.00 C ATOM 300 O HIS A 19 5.457 -5.102 -1.085 1.00 0.00 O ATOM 301 CB HIS A 19 2.947 -5.826 -3.249 1.00 0.00 C ATOM 302 CG HIS A 19 2.444 -7.084 -3.894 1.00 0.00 C ATOM 303 ND1 HIS A 19 2.970 -7.590 -5.063 1.00 0.00 N ATOM 304 CD2 HIS A 19 1.456 -7.936 -3.534 1.00 0.00 C ATOM 305 CE1 HIS A 19 2.327 -8.695 -5.392 1.00 0.00 C ATOM 306 NE2 HIS A 19 1.404 -8.928 -4.480 1.00 0.00 N ATOM 0 H HIS A 19 1.274 -5.872 -1.419 1.00 0.00 H new ATOM 0 HA HIS A 19 3.869 -6.939 -1.651 1.00 0.00 H new ATOM 0 HB2 HIS A 19 2.177 -5.059 -3.324 1.00 0.00 H new ATOM 0 HB3 HIS A 19 3.811 -5.465 -3.806 1.00 0.00 H new ATOM 0 HD2 HIS A 19 0.824 -7.851 -2.662 1.00 0.00 H new ATOM 0 HE1 HIS A 19 2.524 -9.305 -6.261 1.00 0.00 H new ATOM 0 HE2 HIS A 19 0.757 -9.717 -4.478 1.00 0.00 H new ATOM 315 N LEU A 20 3.755 -3.648 -1.300 1.00 0.00 N ATOM 316 CA LEU A 20 4.552 -2.465 -0.984 1.00 0.00 C ATOM 317 C LEU A 20 5.210 -2.614 0.369 1.00 0.00 C ATOM 318 O LEU A 20 6.426 -2.532 0.491 1.00 0.00 O ATOM 319 CB LEU A 20 3.681 -1.208 -0.948 1.00 0.00 C ATOM 320 CG LEU A 20 2.809 -0.961 -2.165 1.00 0.00 C ATOM 321 CD1 LEU A 20 2.150 0.401 -2.083 1.00 0.00 C ATOM 322 CD2 LEU A 20 3.599 -1.109 -3.458 1.00 0.00 C ATOM 0 H LEU A 20 2.768 -3.451 -1.469 1.00 0.00 H new ATOM 0 HA LEU A 20 5.307 -2.369 -1.764 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.037 -1.263 -0.071 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.332 -0.344 -0.812 1.00 0.00 H new ATOM 0 HG LEU A 20 2.027 -1.720 -2.173 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.529 0.559 -2.965 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.529 0.452 -1.189 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.917 1.174 -2.036 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.943 -0.925 -4.309 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.417 -0.389 -3.469 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.004 -2.119 -3.524 1.00 0.00 H new ATOM 334 N GLU A 21 4.386 -2.842 1.381 1.00 0.00 N ATOM 335 CA GLU A 21 4.862 -2.904 2.759 1.00 0.00 C ATOM 336 C GLU A 21 5.930 -3.985 2.923 1.00 0.00 C ATOM 337 O GLU A 21 6.909 -3.794 3.647 1.00 0.00 O ATOM 338 CB GLU A 21 3.704 -3.158 3.727 1.00 0.00 C ATOM 339 CG GLU A 21 3.934 -2.572 5.110 1.00 0.00 C ATOM 340 CD GLU A 21 2.819 -2.907 6.077 1.00 0.00 C ATOM 341 OE1 GLU A 21 1.848 -2.126 6.153 1.00 0.00 O ATOM 342 OE2 GLU A 21 2.916 -3.948 6.758 1.00 0.00 O ATOM 0 H GLU A 21 3.382 -2.988 1.276 1.00 0.00 H new ATOM 0 HA GLU A 21 5.308 -1.938 2.997 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.791 -2.735 3.308 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.545 -4.233 3.818 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.878 -2.946 5.506 1.00 0.00 H new ATOM 0 HG3 GLU A 21 4.028 -1.489 5.031 1.00 0.00 H new ATOM 349 N ASN A 22 5.748 -5.115 2.247 1.00 0.00 N ATOM 350 CA ASN A 22 6.735 -6.189 2.287 1.00 0.00 C ATOM 351 C ASN A 22 7.991 -5.795 1.522 1.00 0.00 C ATOM 352 O ASN A 22 9.102 -6.167 1.906 1.00 0.00 O ATOM 353 CB ASN A 22 6.161 -7.493 1.723 1.00 0.00 C ATOM 354 CG ASN A 22 5.275 -8.221 2.719 1.00 0.00 C ATOM 355 OD1 ASN A 22 4.662 -7.605 3.593 1.00 0.00 O ATOM 356 ND2 ASN A 22 5.203 -9.537 2.597 1.00 0.00 N ATOM 0 H ASN A 22 4.931 -5.311 1.668 1.00 0.00 H new ATOM 0 HA ASN A 22 6.998 -6.356 3.332 1.00 0.00 H new ATOM 0 HB2 ASN A 22 5.586 -7.273 0.824 1.00 0.00 H new ATOM 0 HB3 ASN A 22 6.980 -8.147 1.425 1.00 0.00 H new ATOM 0 HD21 ASN A 22 4.625 -10.078 3.240 1.00 0.00 H new ATOM 0 HD22 ASN A 22 5.726 -10.010 1.860 1.00 0.00 H new ATOM 363 N GLU A 23 7.818 -5.029 0.448 1.00 0.00 N ATOM 364 CA GLU A 23 8.958 -4.541 -0.321 1.00 0.00 C ATOM 365 C GLU A 23 9.753 -3.518 0.484 1.00 0.00 C ATOM 366 O GLU A 23 10.984 -3.538 0.473 1.00 0.00 O ATOM 367 CB GLU A 23 8.509 -3.936 -1.654 1.00 0.00 C ATOM 368 CG GLU A 23 8.656 -4.882 -2.841 1.00 0.00 C ATOM 369 CD GLU A 23 7.818 -6.141 -2.717 1.00 0.00 C ATOM 370 OE1 GLU A 23 8.242 -7.073 -2.001 1.00 0.00 O ATOM 371 OE2 GLU A 23 6.740 -6.198 -3.343 1.00 0.00 O ATOM 0 H GLU A 23 6.908 -4.735 0.093 1.00 0.00 H new ATOM 0 HA GLU A 23 9.603 -5.393 -0.536 1.00 0.00 H new ATOM 0 HB2 GLU A 23 7.466 -3.632 -1.571 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.090 -3.034 -1.847 1.00 0.00 H new ATOM 0 HG2 GLU A 23 8.374 -4.355 -3.753 1.00 0.00 H new ATOM 0 HG3 GLU A 23 9.704 -5.161 -2.946 1.00 0.00 H new ATOM 378 N VAL A 24 9.046 -2.638 1.189 1.00 0.00 N ATOM 379 CA VAL A 24 9.695 -1.647 2.042 1.00 0.00 C ATOM 380 C VAL A 24 10.557 -2.345 3.087 1.00 0.00 C ATOM 381 O VAL A 24 11.724 -2.011 3.266 1.00 0.00 O ATOM 382 CB VAL A 24 8.681 -0.737 2.776 1.00 0.00 C ATOM 383 CG1 VAL A 24 9.409 0.329 3.578 1.00 0.00 C ATOM 384 CG2 VAL A 24 7.713 -0.086 1.806 1.00 0.00 C ATOM 0 H VAL A 24 8.027 -2.591 1.186 1.00 0.00 H new ATOM 0 HA VAL A 24 10.303 -1.023 1.387 1.00 0.00 H new ATOM 0 HB VAL A 24 8.106 -1.366 3.455 1.00 0.00 H new ATOM 0 HG11 VAL A 24 8.682 0.961 4.088 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.055 -0.148 4.315 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.013 0.940 2.907 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.016 0.546 2.357 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.268 0.523 1.092 1.00 0.00 H new ATOM 0 HG23 VAL A 24 7.159 -0.858 1.272 1.00 0.00 H new ATOM 394 N ALA A 25 9.970 -3.331 3.755 1.00 0.00 N ATOM 395 CA ALA A 25 10.663 -4.073 4.802 1.00 0.00 C ATOM 396 C ALA A 25 11.898 -4.775 4.250 1.00 0.00 C ATOM 397 O ALA A 25 12.954 -4.776 4.876 1.00 0.00 O ATOM 398 CB ALA A 25 9.721 -5.082 5.443 1.00 0.00 C ATOM 0 H ALA A 25 9.011 -3.636 3.589 1.00 0.00 H new ATOM 0 HA ALA A 25 10.990 -3.364 5.562 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.250 -5.629 6.223 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.870 -4.559 5.880 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.367 -5.781 4.686 1.00 0.00 H new ATOM 404 N ARG A 26 11.758 -5.360 3.065 1.00 0.00 N ATOM 405 CA ARG A 26 12.860 -6.058 2.417 1.00 0.00 C ATOM 406 C ARG A 26 13.990 -5.080 2.103 1.00 0.00 C ATOM 407 O ARG A 26 15.143 -5.308 2.472 1.00 0.00 O ATOM 408 CB ARG A 26 12.357 -6.753 1.140 1.00 0.00 C ATOM 409 CG ARG A 26 13.356 -7.713 0.499 1.00 0.00 C ATOM 410 CD ARG A 26 14.363 -6.991 -0.382 1.00 0.00 C ATOM 411 NE ARG A 26 15.325 -7.910 -0.986 1.00 0.00 N ATOM 412 CZ ARG A 26 15.980 -7.658 -2.119 1.00 0.00 C ATOM 413 NH1 ARG A 26 15.745 -6.534 -2.787 1.00 0.00 N ATOM 414 NH2 ARG A 26 16.855 -8.536 -2.592 1.00 0.00 N ATOM 0 H ARG A 26 10.888 -5.364 2.533 1.00 0.00 H new ATOM 0 HA ARG A 26 13.252 -6.820 3.091 1.00 0.00 H new ATOM 0 HB2 ARG A 26 11.446 -7.303 1.377 1.00 0.00 H new ATOM 0 HB3 ARG A 26 12.088 -5.990 0.410 1.00 0.00 H new ATOM 0 HG2 ARG A 26 13.885 -8.259 1.280 1.00 0.00 H new ATOM 0 HG3 ARG A 26 12.818 -8.450 -0.097 1.00 0.00 H new ATOM 0 HD2 ARG A 26 13.835 -6.452 -1.168 1.00 0.00 H new ATOM 0 HD3 ARG A 26 14.896 -6.248 0.211 1.00 0.00 H new ATOM 0 HE ARG A 26 15.506 -8.796 -0.513 1.00 0.00 H new ATOM 0 HH11 ARG A 26 15.063 -5.863 -2.433 1.00 0.00 H new ATOM 0 HH12 ARG A 26 16.247 -6.342 -3.654 1.00 0.00 H new ATOM 0 HH21 ARG A 26 17.028 -9.406 -2.088 1.00 0.00 H new ATOM 0 HH22 ARG A 26 17.355 -8.341 -3.459 1.00 0.00 H new ATOM 428 N LEU A 27 13.647 -3.981 1.441 1.00 0.00 N ATOM 429 CA LEU A 27 14.623 -2.953 1.093 1.00 0.00 C ATOM 430 C LEU A 27 15.254 -2.355 2.343 1.00 0.00 C ATOM 431 O LEU A 27 16.445 -2.048 2.364 1.00 0.00 O ATOM 432 CB LEU A 27 13.965 -1.840 0.276 1.00 0.00 C ATOM 433 CG LEU A 27 13.988 -2.000 -1.251 1.00 0.00 C ATOM 434 CD1 LEU A 27 13.655 -3.421 -1.675 1.00 0.00 C ATOM 435 CD2 LEU A 27 13.011 -1.032 -1.893 1.00 0.00 C ATOM 0 H LEU A 27 12.696 -3.778 1.133 1.00 0.00 H new ATOM 0 HA LEU A 27 15.402 -3.427 0.495 1.00 0.00 H new ATOM 0 HB2 LEU A 27 12.926 -1.754 0.594 1.00 0.00 H new ATOM 0 HB3 LEU A 27 14.454 -0.899 0.527 1.00 0.00 H new ATOM 0 HG LEU A 27 15.000 -1.777 -1.588 1.00 0.00 H new ATOM 0 HD11 LEU A 27 13.682 -3.492 -2.762 1.00 0.00 H new ATOM 0 HD12 LEU A 27 14.385 -4.109 -1.248 1.00 0.00 H new ATOM 0 HD13 LEU A 27 12.659 -3.683 -1.319 1.00 0.00 H new ATOM 0 HD21 LEU A 27 13.036 -1.154 -2.976 1.00 0.00 H new ATOM 0 HD22 LEU A 27 12.004 -1.235 -1.528 1.00 0.00 H new ATOM 0 HD23 LEU A 27 13.290 -0.010 -1.637 1.00 0.00 H new ATOM 447 N LYS A 28 14.448 -2.202 3.386 1.00 0.00 N ATOM 448 CA LYS A 28 14.907 -1.613 4.639 1.00 0.00 C ATOM 449 C LYS A 28 15.988 -2.479 5.287 1.00 0.00 C ATOM 450 O LYS A 28 16.825 -1.977 6.029 1.00 0.00 O ATOM 451 CB LYS A 28 13.727 -1.428 5.599 1.00 0.00 C ATOM 452 CG LYS A 28 14.064 -0.716 6.908 1.00 0.00 C ATOM 453 CD LYS A 28 14.421 0.754 6.705 1.00 0.00 C ATOM 454 CE LYS A 28 15.918 0.972 6.512 1.00 0.00 C ATOM 455 NZ LYS A 28 16.714 0.492 7.676 1.00 0.00 N ATOM 0 H LYS A 28 13.466 -2.480 3.389 1.00 0.00 H new ATOM 0 HA LYS A 28 15.341 -0.637 4.419 1.00 0.00 H new ATOM 0 HB2 LYS A 28 12.947 -0.865 5.087 1.00 0.00 H new ATOM 0 HB3 LYS A 28 13.311 -2.408 5.833 1.00 0.00 H new ATOM 0 HG2 LYS A 28 13.213 -0.789 7.586 1.00 0.00 H new ATOM 0 HG3 LYS A 28 14.899 -1.225 7.389 1.00 0.00 H new ATOM 0 HD2 LYS A 28 13.887 1.137 5.836 1.00 0.00 H new ATOM 0 HD3 LYS A 28 14.082 1.329 7.567 1.00 0.00 H new ATOM 0 HE2 LYS A 28 16.245 0.452 5.612 1.00 0.00 H new ATOM 0 HE3 LYS A 28 16.111 2.033 6.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 17.542 1.108 7.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 16.125 0.515 8.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 17.032 -0.483 7.501 1.00 0.00 H new ATOM 469 N LYS A 29 15.966 -3.776 4.998 1.00 0.00 N ATOM 470 CA LYS A 29 16.984 -4.690 5.508 1.00 0.00 C ATOM 471 C LYS A 29 18.303 -4.478 4.772 1.00 0.00 C ATOM 472 O LYS A 29 19.383 -4.579 5.359 1.00 0.00 O ATOM 473 CB LYS A 29 16.527 -6.142 5.358 1.00 0.00 C ATOM 474 CG LYS A 29 15.254 -6.458 6.121 1.00 0.00 C ATOM 475 CD LYS A 29 14.852 -7.914 5.962 1.00 0.00 C ATOM 476 CE LYS A 29 13.540 -8.210 6.672 1.00 0.00 C ATOM 477 NZ LYS A 29 13.616 -7.914 8.128 1.00 0.00 N ATOM 0 H LYS A 29 15.256 -4.218 4.414 1.00 0.00 H new ATOM 0 HA LYS A 29 17.133 -4.480 6.567 1.00 0.00 H new ATOM 0 HB2 LYS A 29 16.371 -6.358 4.301 1.00 0.00 H new ATOM 0 HB3 LYS A 29 17.322 -6.802 5.704 1.00 0.00 H new ATOM 0 HG2 LYS A 29 15.398 -6.233 7.178 1.00 0.00 H new ATOM 0 HG3 LYS A 29 14.448 -5.817 5.765 1.00 0.00 H new ATOM 0 HD2 LYS A 29 14.756 -8.152 4.903 1.00 0.00 H new ATOM 0 HD3 LYS A 29 15.637 -8.555 6.363 1.00 0.00 H new ATOM 0 HE2 LYS A 29 12.743 -7.618 6.223 1.00 0.00 H new ATOM 0 HE3 LYS A 29 13.278 -9.258 6.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 12.784 -8.314 8.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 14.480 -8.336 8.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 13.637 -6.884 8.272 1.00 0.00 H new ATOM 491 N LEU A 30 18.205 -4.174 3.486 1.00 0.00 N ATOM 492 CA LEU A 30 19.379 -3.886 2.672 1.00 0.00 C ATOM 493 C LEU A 30 19.927 -2.512 3.032 1.00 0.00 C ATOM 494 O LEU A 30 21.137 -2.303 3.073 1.00 0.00 O ATOM 495 CB LEU A 30 19.050 -3.957 1.175 1.00 0.00 C ATOM 496 CG LEU A 30 18.976 -5.369 0.577 1.00 0.00 C ATOM 497 CD1 LEU A 30 17.839 -6.173 1.187 1.00 0.00 C ATOM 498 CD2 LEU A 30 18.819 -5.299 -0.932 1.00 0.00 C ATOM 0 H LEU A 30 17.320 -4.120 2.981 1.00 0.00 H new ATOM 0 HA LEU A 30 20.137 -4.642 2.879 1.00 0.00 H new ATOM 0 HB2 LEU A 30 18.094 -3.461 1.008 1.00 0.00 H new ATOM 0 HB3 LEU A 30 19.804 -3.390 0.629 1.00 0.00 H new ATOM 0 HG LEU A 30 19.911 -5.878 0.813 1.00 0.00 H new ATOM 0 HD11 LEU A 30 17.816 -7.167 0.741 1.00 0.00 H new ATOM 0 HD12 LEU A 30 17.992 -6.262 2.263 1.00 0.00 H new ATOM 0 HD13 LEU A 30 16.892 -5.667 0.996 1.00 0.00 H new ATOM 0 HD21 LEU A 30 18.768 -6.309 -1.340 1.00 0.00 H new ATOM 0 HD22 LEU A 30 17.903 -4.762 -1.178 1.00 0.00 H new ATOM 0 HD23 LEU A 30 19.673 -4.776 -1.363 1.00 0.00 H new ATOM 510 N VAL A 31 19.020 -1.584 3.315 1.00 0.00 N ATOM 511 CA VAL A 31 19.393 -0.277 3.840 1.00 0.00 C ATOM 512 C VAL A 31 19.429 -0.355 5.369 1.00 0.00 C ATOM 513 O VAL A 31 19.216 0.625 6.082 1.00 0.00 O ATOM 514 CB VAL A 31 18.405 0.827 3.381 1.00 0.00 C ATOM 515 CG1 VAL A 31 18.947 2.217 3.691 1.00 0.00 C ATOM 516 CG2 VAL A 31 18.103 0.698 1.897 1.00 0.00 C ATOM 0 H VAL A 31 18.016 -1.714 3.189 1.00 0.00 H new ATOM 0 HA VAL A 31 20.376 -0.010 3.453 1.00 0.00 H new ATOM 0 HB VAL A 31 17.478 0.692 3.938 1.00 0.00 H new ATOM 0 HG11 VAL A 31 18.232 2.969 3.357 1.00 0.00 H new ATOM 0 HG12 VAL A 31 19.103 2.316 4.765 1.00 0.00 H new ATOM 0 HG13 VAL A 31 19.895 2.362 3.172 1.00 0.00 H new ATOM 0 HG21 VAL A 31 17.408 1.483 1.598 1.00 0.00 H new ATOM 0 HG22 VAL A 31 19.027 0.795 1.328 1.00 0.00 H new ATOM 0 HG23 VAL A 31 17.657 -0.277 1.700 1.00 0.00 H new ATOM 526 N GLY A 32 19.668 -1.558 5.862 1.00 0.00 N ATOM 527 CA GLY A 32 19.758 -1.785 7.286 1.00 0.00 C ATOM 528 C GLY A 32 21.141 -2.241 7.676 1.00 0.00 C ATOM 529 O GLY A 32 21.667 -1.853 8.721 1.00 0.00 O ATOM 0 H GLY A 32 19.803 -2.393 5.291 1.00 0.00 H new ATOM 0 HA2 GLY A 32 19.510 -0.868 7.820 1.00 0.00 H new ATOM 0 HA3 GLY A 32 19.026 -2.536 7.585 1.00 0.00 H new ATOM 533 N GLU A 33 21.729 -3.071 6.826 1.00 0.00 N ATOM 534 CA GLU A 33 23.095 -3.524 7.021 1.00 0.00 C ATOM 535 C GLU A 33 24.061 -2.489 6.452 1.00 0.00 C ATOM 536 O GLU A 33 24.368 -2.561 5.242 1.00 0.00 O ATOM 537 CB GLU A 33 23.312 -4.880 6.342 1.00 0.00 C ATOM 538 CG GLU A 33 24.704 -5.453 6.557 1.00 0.00 C ATOM 539 CD GLU A 33 24.951 -6.708 5.746 1.00 0.00 C ATOM 540 OE1 GLU A 33 24.711 -7.814 6.273 1.00 0.00 O ATOM 541 OE2 GLU A 33 25.385 -6.584 4.583 1.00 0.00 O ATOM 542 OXT GLU A 33 24.483 -1.587 7.204 1.00 0.00 O ATOM 0 H GLU A 33 21.277 -3.445 5.991 1.00 0.00 H new ATOM 0 HA GLU A 33 23.281 -3.642 8.088 1.00 0.00 H new ATOM 0 HB2 GLU A 33 22.574 -5.588 6.720 1.00 0.00 H new ATOM 0 HB3 GLU A 33 23.133 -4.774 5.272 1.00 0.00 H new ATOM 0 HG2 GLU A 33 25.447 -4.701 6.291 1.00 0.00 H new ATOM 0 HG3 GLU A 33 24.841 -5.676 7.615 1.00 0.00 H new TER 549 GLU A 33 ATOM 550 N GLY B 1 -23.844 5.999 5.313 1.00 0.00 N ATOM 551 CA GLY B 1 -24.249 5.159 4.162 1.00 0.00 C ATOM 552 C GLY B 1 -23.275 4.024 3.922 1.00 0.00 C ATOM 553 O GLY B 1 -22.857 3.347 4.863 1.00 0.00 O ATOM 0 H1 GLY B 1 -24.433 6.855 5.342 1.00 0.00 H new ATOM 0 H2 GLY B 1 -23.969 5.463 6.195 1.00 0.00 H new ATOM 0 H3 GLY B 1 -22.845 6.270 5.211 1.00 0.00 H new ATOM 0 HA2 GLY B 1 -25.244 4.752 4.342 1.00 0.00 H new ATOM 0 HA3 GLY B 1 -24.314 5.777 3.267 1.00 0.00 H new ATOM 559 N SER B 2 -22.909 3.815 2.667 1.00 0.00 N ATOM 560 CA SER B 2 -21.972 2.763 2.309 1.00 0.00 C ATOM 561 C SER B 2 -20.952 3.259 1.288 1.00 0.00 C ATOM 562 O SER B 2 -19.781 2.887 1.342 1.00 0.00 O ATOM 563 CB SER B 2 -22.730 1.551 1.760 1.00 0.00 C ATOM 564 OG SER B 2 -23.782 1.958 0.895 1.00 0.00 O ATOM 0 H SER B 2 -23.249 4.363 1.877 1.00 0.00 H new ATOM 0 HA SER B 2 -21.430 2.467 3.207 1.00 0.00 H new ATOM 0 HB2 SER B 2 -22.042 0.901 1.220 1.00 0.00 H new ATOM 0 HB3 SER B 2 -23.138 0.968 2.586 1.00 0.00 H new ATOM 0 HG SER B 2 -24.251 1.167 0.555 1.00 0.00 H new ATOM 570 N MET B 3 -21.400 4.124 0.384 1.00 0.00 N ATOM 571 CA MET B 3 -20.571 4.592 -0.723 1.00 0.00 C ATOM 572 C MET B 3 -19.278 5.236 -0.226 1.00 0.00 C ATOM 573 O MET B 3 -18.186 4.761 -0.532 1.00 0.00 O ATOM 574 CB MET B 3 -21.357 5.585 -1.589 1.00 0.00 C ATOM 575 CG MET B 3 -20.584 6.129 -2.788 1.00 0.00 C ATOM 576 SD MET B 3 -20.738 5.109 -4.277 1.00 0.00 S ATOM 577 CE MET B 3 -19.868 3.614 -3.806 1.00 0.00 C ATOM 0 H MET B 3 -22.341 4.518 0.397 1.00 0.00 H new ATOM 0 HA MET B 3 -20.300 3.725 -1.325 1.00 0.00 H new ATOM 0 HB2 MET B 3 -22.263 5.097 -1.948 1.00 0.00 H new ATOM 0 HB3 MET B 3 -21.672 6.422 -0.965 1.00 0.00 H new ATOM 0 HG2 MET B 3 -20.937 7.136 -3.010 1.00 0.00 H new ATOM 0 HG3 MET B 3 -19.530 6.212 -2.522 1.00 0.00 H new ATOM 0 HE1 MET B 3 -19.500 3.110 -4.700 1.00 0.00 H new ATOM 0 HE2 MET B 3 -19.027 3.870 -3.162 1.00 0.00 H new ATOM 0 HE3 MET B 3 -20.547 2.951 -3.270 1.00 0.00 H new ATOM 587 N LYS B 4 -19.400 6.297 0.562 1.00 0.00 N ATOM 588 CA LYS B 4 -18.226 7.035 1.018 1.00 0.00 C ATOM 589 C LYS B 4 -17.640 6.411 2.282 1.00 0.00 C ATOM 590 O LYS B 4 -16.585 6.815 2.747 1.00 0.00 O ATOM 591 CB LYS B 4 -18.559 8.510 1.270 1.00 0.00 C ATOM 592 CG LYS B 4 -19.522 8.735 2.423 1.00 0.00 C ATOM 593 CD LYS B 4 -19.593 10.202 2.821 1.00 0.00 C ATOM 594 CE LYS B 4 -20.251 11.053 1.747 1.00 0.00 C ATOM 595 NZ LYS B 4 -21.680 10.693 1.551 1.00 0.00 N ATOM 0 H LYS B 4 -20.291 6.664 0.897 1.00 0.00 H new ATOM 0 HA LYS B 4 -17.481 6.979 0.224 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -17.635 9.052 1.470 1.00 0.00 H new ATOM 0 HB3 LYS B 4 -18.988 8.936 0.363 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -20.515 8.386 2.140 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -19.208 8.140 3.281 1.00 0.00 H new ATOM 0 HD2 LYS B 4 -20.151 10.298 3.752 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -18.587 10.575 3.013 1.00 0.00 H new ATOM 0 HE2 LYS B 4 -20.176 12.105 2.022 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -19.714 10.930 0.807 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 -22.156 11.443 1.010 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 -21.744 9.796 1.029 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 -22.142 10.588 2.477 1.00 0.00 H new ATOM 609 N GLN B 5 -18.321 5.413 2.820 1.00 0.00 N ATOM 610 CA GLN B 5 -17.872 4.732 4.031 1.00 0.00 C ATOM 611 C GLN B 5 -16.880 3.653 3.660 1.00 0.00 C ATOM 612 O GLN B 5 -15.800 3.546 4.244 1.00 0.00 O ATOM 613 CB GLN B 5 -19.053 4.110 4.783 1.00 0.00 C ATOM 614 CG GLN B 5 -19.680 5.016 5.833 1.00 0.00 C ATOM 615 CD GLN B 5 -20.101 6.365 5.290 1.00 0.00 C ATOM 616 OE1 GLN B 5 -21.209 6.524 4.784 1.00 0.00 O ATOM 617 NE2 GLN B 5 -19.228 7.352 5.417 1.00 0.00 N ATOM 0 H GLN B 5 -19.194 5.051 2.436 1.00 0.00 H new ATOM 0 HA GLN B 5 -17.399 5.464 4.685 1.00 0.00 H new ATOM 0 HB2 GLN B 5 -19.819 3.827 4.061 1.00 0.00 H new ATOM 0 HB3 GLN B 5 -18.717 3.193 5.267 1.00 0.00 H new ATOM 0 HG2 GLN B 5 -20.550 4.517 6.260 1.00 0.00 H new ATOM 0 HG3 GLN B 5 -18.968 5.166 6.645 1.00 0.00 H new ATOM 0 HE21 GLN B 5 -18.318 7.176 5.843 1.00 0.00 H new ATOM 0 HE22 GLN B 5 -19.465 8.288 5.088 1.00 0.00 H new ATOM 626 N LEU B 6 -17.257 2.863 2.668 1.00 0.00 N ATOM 627 CA LEU B 6 -16.370 1.865 2.112 1.00 0.00 C ATOM 628 C LEU B 6 -15.231 2.567 1.404 1.00 0.00 C ATOM 629 O LEU B 6 -14.068 2.207 1.575 1.00 0.00 O ATOM 630 CB LEU B 6 -17.116 0.948 1.135 1.00 0.00 C ATOM 631 CG LEU B 6 -17.855 -0.260 1.742 1.00 0.00 C ATOM 632 CD1 LEU B 6 -16.867 -1.315 2.223 1.00 0.00 C ATOM 633 CD2 LEU B 6 -18.771 0.165 2.882 1.00 0.00 C ATOM 0 H LEU B 6 -18.178 2.897 2.232 1.00 0.00 H new ATOM 0 HA LEU B 6 -15.981 1.243 2.918 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -17.842 1.551 0.590 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -16.399 0.575 0.404 1.00 0.00 H new ATOM 0 HG LEU B 6 -18.473 -0.694 0.956 1.00 0.00 H new ATOM 0 HD11 LEU B 6 -17.413 -2.158 2.647 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -16.264 -1.659 1.383 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -16.216 -0.884 2.984 1.00 0.00 H new ATOM 0 HD21 LEU B 6 -19.277 -0.711 3.288 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -18.180 0.639 3.666 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -19.512 0.872 2.509 1.00 0.00 H new ATOM 645 N GLU B 7 -15.577 3.599 0.634 1.00 0.00 N ATOM 646 CA GLU B 7 -14.580 4.402 -0.061 1.00 0.00 C ATOM 647 C GLU B 7 -13.628 5.059 0.935 1.00 0.00 C ATOM 648 O GLU B 7 -12.443 5.228 0.643 1.00 0.00 O ATOM 649 CB GLU B 7 -15.248 5.468 -0.930 1.00 0.00 C ATOM 650 CG GLU B 7 -14.272 6.259 -1.783 1.00 0.00 C ATOM 651 CD GLU B 7 -14.963 7.286 -2.654 1.00 0.00 C ATOM 652 OE1 GLU B 7 -15.070 8.455 -2.228 1.00 0.00 O ATOM 653 OE2 GLU B 7 -15.399 6.918 -3.764 1.00 0.00 O ATOM 0 H GLU B 7 -16.540 3.896 0.478 1.00 0.00 H new ATOM 0 HA GLU B 7 -14.007 3.738 -0.708 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -15.979 4.988 -1.580 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -15.796 6.157 -0.287 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -13.553 6.761 -1.136 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -13.707 5.573 -2.414 1.00 0.00 H new ATOM 660 N ASP B 8 -14.142 5.424 2.114 1.00 0.00 N ATOM 661 CA ASP B 8 -13.279 5.972 3.162 1.00 0.00 C ATOM 662 C ASP B 8 -12.170 4.989 3.499 1.00 0.00 C ATOM 663 O ASP B 8 -11.011 5.372 3.636 1.00 0.00 O ATOM 664 CB ASP B 8 -14.060 6.310 4.433 1.00 0.00 C ATOM 665 CG ASP B 8 -14.389 7.787 4.541 1.00 0.00 C ATOM 666 OD1 ASP B 8 -13.484 8.615 4.308 1.00 0.00 O ATOM 667 OD2 ASP B 8 -15.546 8.116 4.875 1.00 0.00 O ATOM 0 H ASP B 8 -15.129 5.352 2.362 1.00 0.00 H new ATOM 0 HA ASP B 8 -12.851 6.896 2.773 1.00 0.00 H new ATOM 0 HB2 ASP B 8 -14.985 5.733 4.451 1.00 0.00 H new ATOM 0 HB3 ASP B 8 -13.479 6.007 5.304 1.00 0.00 H new ATOM 672 N LYS B 9 -12.534 3.720 3.608 1.00 0.00 N ATOM 673 CA LYS B 9 -11.575 2.672 3.928 1.00 0.00 C ATOM 674 C LYS B 9 -10.620 2.437 2.757 1.00 0.00 C ATOM 675 O LYS B 9 -9.419 2.238 2.956 1.00 0.00 O ATOM 676 CB LYS B 9 -12.314 1.381 4.299 1.00 0.00 C ATOM 677 CG LYS B 9 -11.396 0.215 4.628 1.00 0.00 C ATOM 678 CD LYS B 9 -12.179 -1.018 5.050 1.00 0.00 C ATOM 679 CE LYS B 9 -12.875 -0.812 6.388 1.00 0.00 C ATOM 680 NZ LYS B 9 -13.526 -2.056 6.875 1.00 0.00 N ATOM 0 H LYS B 9 -13.490 3.390 3.479 1.00 0.00 H new ATOM 0 HA LYS B 9 -10.980 2.990 4.784 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -12.957 1.577 5.157 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -12.964 1.096 3.472 1.00 0.00 H new ATOM 0 HG2 LYS B 9 -10.784 -0.023 3.758 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -10.714 0.504 5.428 1.00 0.00 H new ATOM 0 HD2 LYS B 9 -12.920 -1.257 4.287 1.00 0.00 H new ATOM 0 HD3 LYS B 9 -11.505 -1.872 5.118 1.00 0.00 H new ATOM 0 HE2 LYS B 9 -12.149 -0.470 7.126 1.00 0.00 H new ATOM 0 HE3 LYS B 9 -13.624 -0.026 6.290 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 -13.988 -1.871 7.788 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 -14.238 -2.369 6.184 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 -12.809 -2.800 6.994 1.00 0.00 H new ATOM 694 N VAL B 10 -11.157 2.481 1.539 1.00 0.00 N ATOM 695 CA VAL B 10 -10.344 2.308 0.337 1.00 0.00 C ATOM 696 C VAL B 10 -9.269 3.395 0.272 1.00 0.00 C ATOM 697 O VAL B 10 -8.089 3.113 0.079 1.00 0.00 O ATOM 698 CB VAL B 10 -11.184 2.383 -0.960 1.00 0.00 C ATOM 699 CG1 VAL B 10 -10.376 1.899 -2.145 1.00 0.00 C ATOM 700 CG2 VAL B 10 -12.467 1.583 -0.860 1.00 0.00 C ATOM 0 H VAL B 10 -12.149 2.635 1.359 1.00 0.00 H new ATOM 0 HA VAL B 10 -9.896 1.317 0.403 1.00 0.00 H new ATOM 0 HB VAL B 10 -11.453 3.430 -1.102 1.00 0.00 H new ATOM 0 HG11 VAL B 10 -10.983 1.959 -3.048 1.00 0.00 H new ATOM 0 HG12 VAL B 10 -9.490 2.524 -2.261 1.00 0.00 H new ATOM 0 HG13 VAL B 10 -10.072 0.865 -1.980 1.00 0.00 H new ATOM 0 HG21 VAL B 10 -13.022 1.667 -1.794 1.00 0.00 H new ATOM 0 HG22 VAL B 10 -12.229 0.536 -0.672 1.00 0.00 H new ATOM 0 HG23 VAL B 10 -13.074 1.970 -0.042 1.00 0.00 H new ATOM 710 N GLU B 11 -9.696 4.641 0.461 1.00 0.00 N ATOM 711 CA GLU B 11 -8.803 5.795 0.406 1.00 0.00 C ATOM 712 C GLU B 11 -7.748 5.734 1.516 1.00 0.00 C ATOM 713 O GLU B 11 -6.628 6.217 1.345 1.00 0.00 O ATOM 714 CB GLU B 11 -9.626 7.086 0.524 1.00 0.00 C ATOM 715 CG GLU B 11 -8.803 8.364 0.632 1.00 0.00 C ATOM 716 CD GLU B 11 -8.043 8.698 -0.635 1.00 0.00 C ATOM 717 OE1 GLU B 11 -8.662 9.245 -1.570 1.00 0.00 O ATOM 718 OE2 GLU B 11 -6.826 8.420 -0.689 1.00 0.00 O ATOM 0 H GLU B 11 -10.669 4.879 0.656 1.00 0.00 H new ATOM 0 HA GLU B 11 -8.280 5.783 -0.550 1.00 0.00 H new ATOM 0 HB2 GLU B 11 -10.279 7.164 -0.345 1.00 0.00 H new ATOM 0 HB3 GLU B 11 -10.270 7.010 1.400 1.00 0.00 H new ATOM 0 HG2 GLU B 11 -9.465 9.194 0.879 1.00 0.00 H new ATOM 0 HG3 GLU B 11 -8.096 8.264 1.455 1.00 0.00 H new ATOM 725 N GLU B 12 -8.103 5.144 2.650 1.00 0.00 N ATOM 726 CA GLU B 12 -7.159 4.978 3.751 1.00 0.00 C ATOM 727 C GLU B 12 -6.042 4.028 3.346 1.00 0.00 C ATOM 728 O GLU B 12 -4.865 4.284 3.614 1.00 0.00 O ATOM 729 CB GLU B 12 -7.866 4.465 5.006 1.00 0.00 C ATOM 730 CG GLU B 12 -8.774 5.497 5.651 1.00 0.00 C ATOM 731 CD GLU B 12 -9.492 4.962 6.873 1.00 0.00 C ATOM 732 OE1 GLU B 12 -8.902 5.002 7.973 1.00 0.00 O ATOM 733 OE2 GLU B 12 -10.647 4.509 6.729 1.00 0.00 O ATOM 0 H GLU B 12 -9.035 4.773 2.833 1.00 0.00 H new ATOM 0 HA GLU B 12 -6.728 5.952 3.981 1.00 0.00 H new ATOM 0 HB2 GLU B 12 -8.455 3.585 4.748 1.00 0.00 H new ATOM 0 HB3 GLU B 12 -7.117 4.147 5.731 1.00 0.00 H new ATOM 0 HG2 GLU B 12 -8.183 6.368 5.934 1.00 0.00 H new ATOM 0 HG3 GLU B 12 -9.510 5.834 4.921 1.00 0.00 H new ATOM 740 N LEU B 13 -6.408 2.942 2.681 1.00 0.00 N ATOM 741 CA LEU B 13 -5.419 2.017 2.150 1.00 0.00 C ATOM 742 C LEU B 13 -4.684 2.657 0.985 1.00 0.00 C ATOM 743 O LEU B 13 -3.523 2.353 0.733 1.00 0.00 O ATOM 744 CB LEU B 13 -6.069 0.712 1.698 1.00 0.00 C ATOM 745 CG LEU B 13 -6.742 -0.100 2.801 1.00 0.00 C ATOM 746 CD1 LEU B 13 -7.216 -1.428 2.249 1.00 0.00 C ATOM 747 CD2 LEU B 13 -5.793 -0.321 3.968 1.00 0.00 C ATOM 0 H LEU B 13 -7.377 2.681 2.497 1.00 0.00 H new ATOM 0 HA LEU B 13 -4.710 1.786 2.945 1.00 0.00 H new ATOM 0 HB2 LEU B 13 -6.812 0.941 0.934 1.00 0.00 H new ATOM 0 HB3 LEU B 13 -5.308 0.091 1.226 1.00 0.00 H new ATOM 0 HG LEU B 13 -7.602 0.461 3.167 1.00 0.00 H new ATOM 0 HD11 LEU B 13 -7.695 -2.002 3.042 1.00 0.00 H new ATOM 0 HD12 LEU B 13 -7.931 -1.253 1.445 1.00 0.00 H new ATOM 0 HD13 LEU B 13 -6.364 -1.986 1.862 1.00 0.00 H new ATOM 0 HD21 LEU B 13 -6.296 -0.902 4.741 1.00 0.00 H new ATOM 0 HD22 LEU B 13 -4.912 -0.862 3.623 1.00 0.00 H new ATOM 0 HD23 LEU B 13 -5.490 0.642 4.378 1.00 0.00 H new ATOM 759 N LEU B 14 -5.377 3.541 0.278 1.00 0.00 N ATOM 760 CA LEU B 14 -4.782 4.309 -0.810 1.00 0.00 C ATOM 761 C LEU B 14 -3.697 5.226 -0.260 1.00 0.00 C ATOM 762 O LEU B 14 -2.712 5.524 -0.930 1.00 0.00 O ATOM 763 CB LEU B 14 -5.852 5.152 -1.504 1.00 0.00 C ATOM 764 CG LEU B 14 -5.540 5.544 -2.949 1.00 0.00 C ATOM 765 CD1 LEU B 14 -5.626 4.333 -3.860 1.00 0.00 C ATOM 766 CD2 LEU B 14 -6.490 6.632 -3.423 1.00 0.00 C ATOM 0 H LEU B 14 -6.363 3.746 0.441 1.00 0.00 H new ATOM 0 HA LEU B 14 -4.346 3.617 -1.531 1.00 0.00 H new ATOM 0 HB2 LEU B 14 -6.792 4.600 -1.490 1.00 0.00 H new ATOM 0 HB3 LEU B 14 -6.007 6.061 -0.924 1.00 0.00 H new ATOM 0 HG LEU B 14 -4.522 5.933 -2.987 1.00 0.00 H new ATOM 0 HD11 LEU B 14 -5.401 4.631 -4.884 1.00 0.00 H new ATOM 0 HD12 LEU B 14 -4.907 3.581 -3.535 1.00 0.00 H new ATOM 0 HD13 LEU B 14 -6.632 3.916 -3.816 1.00 0.00 H new ATOM 0 HD21 LEU B 14 -6.253 6.898 -4.453 1.00 0.00 H new ATOM 0 HD22 LEU B 14 -7.516 6.268 -3.369 1.00 0.00 H new ATOM 0 HD23 LEU B 14 -6.383 7.511 -2.787 1.00 0.00 H new ATOM 778 N SER B 15 -3.897 5.656 0.975 1.00 0.00 N ATOM 779 CA SER B 15 -2.962 6.533 1.651 1.00 0.00 C ATOM 780 C SER B 15 -1.727 5.753 2.070 1.00 0.00 C ATOM 781 O SER B 15 -0.607 6.247 1.962 1.00 0.00 O ATOM 782 CB SER B 15 -3.632 7.182 2.861 1.00 0.00 C ATOM 783 OG SER B 15 -4.811 7.874 2.471 1.00 0.00 O ATOM 0 H SER B 15 -4.712 5.406 1.535 1.00 0.00 H new ATOM 0 HA SER B 15 -2.653 7.323 0.966 1.00 0.00 H new ATOM 0 HB2 SER B 15 -3.879 6.419 3.599 1.00 0.00 H new ATOM 0 HB3 SER B 15 -2.939 7.875 3.339 1.00 0.00 H new ATOM 0 HG SER B 15 -5.501 7.227 2.216 1.00 0.00 H new ATOM 789 N LYS B 16 -1.925 4.521 2.531 1.00 0.00 N ATOM 790 CA LYS B 16 -0.793 3.661 2.826 1.00 0.00 C ATOM 791 C LYS B 16 -0.115 3.256 1.529 1.00 0.00 C ATOM 792 O LYS B 16 1.100 3.141 1.476 1.00 0.00 O ATOM 793 CB LYS B 16 -1.193 2.424 3.636 1.00 0.00 C ATOM 794 CG LYS B 16 -1.749 2.753 5.013 1.00 0.00 C ATOM 795 CD LYS B 16 -1.729 1.548 5.948 1.00 0.00 C ATOM 796 CE LYS B 16 -2.608 0.410 5.452 1.00 0.00 C ATOM 797 NZ LYS B 16 -2.671 -0.703 6.435 1.00 0.00 N ATOM 0 H LYS B 16 -2.841 4.106 2.704 1.00 0.00 H new ATOM 0 HA LYS B 16 -0.096 4.226 3.445 1.00 0.00 H new ATOM 0 HB2 LYS B 16 -1.939 1.860 3.077 1.00 0.00 H new ATOM 0 HB3 LYS B 16 -0.323 1.777 3.749 1.00 0.00 H new ATOM 0 HG2 LYS B 16 -1.166 3.562 5.454 1.00 0.00 H new ATOM 0 HG3 LYS B 16 -2.772 3.115 4.912 1.00 0.00 H new ATOM 0 HD2 LYS B 16 -0.704 1.192 6.054 1.00 0.00 H new ATOM 0 HD3 LYS B 16 -2.063 1.856 6.939 1.00 0.00 H new ATOM 0 HE2 LYS B 16 -3.614 0.784 5.260 1.00 0.00 H new ATOM 0 HE3 LYS B 16 -2.220 0.037 4.504 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 -3.279 -1.461 6.063 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 -1.714 -1.076 6.599 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 -3.064 -0.352 7.332 1.00 0.00 H new ATOM 811 N ASN B 17 -0.906 3.076 0.473 1.00 0.00 N ATOM 812 CA ASN B 17 -0.355 2.824 -0.854 1.00 0.00 C ATOM 813 C ASN B 17 0.537 3.977 -1.266 1.00 0.00 C ATOM 814 O ASN B 17 1.559 3.778 -1.917 1.00 0.00 O ATOM 815 CB ASN B 17 -1.461 2.639 -1.895 1.00 0.00 C ATOM 816 CG ASN B 17 -1.832 1.187 -2.101 1.00 0.00 C ATOM 817 OD1 ASN B 17 -1.240 0.500 -2.926 1.00 0.00 O ATOM 818 ND2 ASN B 17 -2.818 0.713 -1.363 1.00 0.00 N ATOM 0 H ASN B 17 -1.925 3.100 0.511 1.00 0.00 H new ATOM 0 HA ASN B 17 0.225 1.902 -0.806 1.00 0.00 H new ATOM 0 HB2 ASN B 17 -2.345 3.195 -1.583 1.00 0.00 H new ATOM 0 HB3 ASN B 17 -1.136 3.065 -2.844 1.00 0.00 H new ATOM 0 HD21 ASN B 17 -3.113 -0.258 -1.468 1.00 0.00 H new ATOM 0 HD22 ASN B 17 -3.285 1.317 -0.687 1.00 0.00 H new ATOM 825 N TYR B 18 0.144 5.185 -0.888 1.00 0.00 N ATOM 826 CA TYR B 18 0.976 6.355 -1.127 1.00 0.00 C ATOM 827 C TYR B 18 2.276 6.250 -0.328 1.00 0.00 C ATOM 828 O TYR B 18 3.366 6.374 -0.881 1.00 0.00 O ATOM 829 CB TYR B 18 0.223 7.635 -0.756 1.00 0.00 C ATOM 830 CG TYR B 18 1.045 8.897 -0.915 1.00 0.00 C ATOM 831 CD1 TYR B 18 1.656 9.494 0.181 1.00 0.00 C ATOM 832 CD2 TYR B 18 1.210 9.491 -2.160 1.00 0.00 C ATOM 833 CE1 TYR B 18 2.407 10.646 0.042 1.00 0.00 C ATOM 834 CE2 TYR B 18 1.960 10.642 -2.307 1.00 0.00 C ATOM 835 CZ TYR B 18 2.556 11.215 -1.205 1.00 0.00 C ATOM 836 OH TYR B 18 3.301 12.366 -1.351 1.00 0.00 O ATOM 0 H TYR B 18 -0.740 5.380 -0.418 1.00 0.00 H new ATOM 0 HA TYR B 18 1.220 6.397 -2.188 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -0.669 7.713 -1.377 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -0.114 7.560 0.278 1.00 0.00 H new ATOM 0 HD1 TYR B 18 1.542 9.050 1.159 1.00 0.00 H new ATOM 0 HD2 TYR B 18 0.744 9.046 -3.027 1.00 0.00 H new ATOM 0 HE1 TYR B 18 2.874 11.098 0.905 1.00 0.00 H new ATOM 0 HE2 TYR B 18 2.079 11.091 -3.282 1.00 0.00 H new ATOM 0 HH TYR B 18 3.307 12.635 -2.293 1.00 0.00 H new ATOM 846 N HIS B 19 2.146 5.990 0.969 1.00 0.00 N ATOM 847 CA HIS B 19 3.301 5.925 1.867 1.00 0.00 C ATOM 848 C HIS B 19 4.248 4.787 1.490 1.00 0.00 C ATOM 849 O HIS B 19 5.436 5.013 1.264 1.00 0.00 O ATOM 850 CB HIS B 19 2.846 5.761 3.322 1.00 0.00 C ATOM 851 CG HIS B 19 2.330 7.023 3.947 1.00 0.00 C ATOM 852 ND1 HIS B 19 2.810 7.522 5.138 1.00 0.00 N ATOM 853 CD2 HIS B 19 1.361 7.882 3.548 1.00 0.00 C ATOM 854 CE1 HIS B 19 2.159 8.630 5.443 1.00 0.00 C ATOM 855 NE2 HIS B 19 1.276 8.870 4.494 1.00 0.00 N ATOM 0 H HIS B 19 1.250 5.820 1.426 1.00 0.00 H new ATOM 0 HA HIS B 19 3.843 6.865 1.763 1.00 0.00 H new ATOM 0 HB2 HIS B 19 2.065 5.002 3.364 1.00 0.00 H new ATOM 0 HB3 HIS B 19 3.683 5.391 3.914 1.00 0.00 H new ATOM 0 HD2 HIS B 19 0.766 7.803 2.650 1.00 0.00 H new ATOM 0 HE1 HIS B 19 2.322 9.237 6.321 1.00 0.00 H new ATOM 0 HE2 HIS B 19 0.634 9.662 4.468 1.00 0.00 H new ATOM 864 N LEU B 20 3.715 3.575 1.411 1.00 0.00 N ATOM 865 CA LEU B 20 4.517 2.387 1.128 1.00 0.00 C ATOM 866 C LEU B 20 5.229 2.530 -0.198 1.00 0.00 C ATOM 867 O LEU B 20 6.449 2.441 -0.271 1.00 0.00 O ATOM 868 CB LEU B 20 3.641 1.135 1.058 1.00 0.00 C ATOM 869 CG LEU B 20 2.717 0.894 2.236 1.00 0.00 C ATOM 870 CD1 LEU B 20 2.050 -0.463 2.128 1.00 0.00 C ATOM 871 CD2 LEU B 20 3.452 1.038 3.560 1.00 0.00 C ATOM 0 H LEU B 20 2.721 3.386 1.540 1.00 0.00 H new ATOM 0 HA LEU B 20 5.240 2.288 1.938 1.00 0.00 H new ATOM 0 HB2 LEU B 20 3.035 1.192 0.154 1.00 0.00 H new ATOM 0 HB3 LEU B 20 4.292 0.267 0.951 1.00 0.00 H new ATOM 0 HG LEU B 20 1.940 1.658 2.209 1.00 0.00 H new ATOM 0 HD11 LEU B 20 1.392 -0.614 2.984 1.00 0.00 H new ATOM 0 HD12 LEU B 20 1.466 -0.509 1.209 1.00 0.00 H new ATOM 0 HD13 LEU B 20 2.812 -1.243 2.114 1.00 0.00 H new ATOM 0 HD21 LEU B 20 2.759 0.859 4.382 1.00 0.00 H new ATOM 0 HD22 LEU B 20 4.265 0.313 3.606 1.00 0.00 H new ATOM 0 HD23 LEU B 20 3.859 2.046 3.642 1.00 0.00 H new ATOM 883 N GLU B 21 4.449 2.763 -1.242 1.00 0.00 N ATOM 884 CA GLU B 21 4.983 2.818 -2.601 1.00 0.00 C ATOM 885 C GLU B 21 6.062 3.893 -2.725 1.00 0.00 C ATOM 886 O GLU B 21 7.063 3.701 -3.417 1.00 0.00 O ATOM 887 CB GLU B 21 3.869 3.082 -3.615 1.00 0.00 C ATOM 888 CG GLU B 21 4.153 2.498 -4.987 1.00 0.00 C ATOM 889 CD GLU B 21 3.079 2.838 -6.001 1.00 0.00 C ATOM 890 OE1 GLU B 21 2.107 2.062 -6.117 1.00 0.00 O ATOM 891 OE2 GLU B 21 3.212 3.877 -6.682 1.00 0.00 O ATOM 0 H GLU B 21 3.443 2.918 -1.178 1.00 0.00 H new ATOM 0 HA GLU B 21 5.432 1.848 -2.816 1.00 0.00 H new ATOM 0 HB2 GLU B 21 2.936 2.664 -3.236 1.00 0.00 H new ATOM 0 HB3 GLU B 21 3.721 4.158 -3.710 1.00 0.00 H new ATOM 0 HG2 GLU B 21 5.114 2.869 -5.343 1.00 0.00 H new ATOM 0 HG3 GLU B 21 4.240 1.415 -4.905 1.00 0.00 H new ATOM 898 N ASN B 22 5.861 5.022 -2.054 1.00 0.00 N ATOM 899 CA ASN B 22 6.856 6.089 -2.053 1.00 0.00 C ATOM 900 C ASN B 22 8.077 5.686 -1.240 1.00 0.00 C ATOM 901 O ASN B 22 9.205 6.048 -1.582 1.00 0.00 O ATOM 902 CB ASN B 22 6.270 7.397 -1.514 1.00 0.00 C ATOM 903 CG ASN B 22 5.429 8.132 -2.543 1.00 0.00 C ATOM 904 OD1 ASN B 22 4.843 7.521 -3.441 1.00 0.00 O ATOM 905 ND2 ASN B 22 5.370 9.450 -2.428 1.00 0.00 N ATOM 0 H ASN B 22 5.024 5.222 -1.507 1.00 0.00 H new ATOM 0 HA ASN B 22 7.162 6.255 -3.086 1.00 0.00 H new ATOM 0 HB2 ASN B 22 5.658 7.182 -0.638 1.00 0.00 H new ATOM 0 HB3 ASN B 22 7.082 8.045 -1.185 1.00 0.00 H new ATOM 0 HD21 ASN B 22 4.826 9.996 -3.096 1.00 0.00 H new ATOM 0 HD22 ASN B 22 5.869 9.919 -1.672 1.00 0.00 H new ATOM 912 N GLU B 23 7.857 4.922 -0.173 1.00 0.00 N ATOM 913 CA GLU B 23 8.962 4.429 0.642 1.00 0.00 C ATOM 914 C GLU B 23 9.781 3.399 -0.128 1.00 0.00 C ATOM 915 O GLU B 23 11.009 3.406 -0.062 1.00 0.00 O ATOM 916 CB GLU B 23 8.455 3.828 1.956 1.00 0.00 C ATOM 917 CG GLU B 23 8.559 4.772 3.147 1.00 0.00 C ATOM 918 CD GLU B 23 7.739 6.038 2.983 1.00 0.00 C ATOM 919 OE1 GLU B 23 8.202 6.960 2.281 1.00 0.00 O ATOM 920 OE2 GLU B 23 6.638 6.112 3.566 1.00 0.00 O ATOM 0 H GLU B 23 6.932 4.633 0.145 1.00 0.00 H new ATOM 0 HA GLU B 23 9.603 5.278 0.881 1.00 0.00 H new ATOM 0 HB2 GLU B 23 7.414 3.531 1.830 1.00 0.00 H new ATOM 0 HB3 GLU B 23 9.021 2.922 2.172 1.00 0.00 H new ATOM 0 HG2 GLU B 23 8.232 4.249 4.046 1.00 0.00 H new ATOM 0 HG3 GLU B 23 9.604 5.041 3.298 1.00 0.00 H new ATOM 927 N VAL B 24 9.096 2.524 -0.863 1.00 0.00 N ATOM 928 CA VAL B 24 9.772 1.529 -1.688 1.00 0.00 C ATOM 929 C VAL B 24 10.679 2.219 -2.698 1.00 0.00 C ATOM 930 O VAL B 24 11.852 1.881 -2.828 1.00 0.00 O ATOM 931 CB VAL B 24 8.782 0.626 -2.463 1.00 0.00 C ATOM 932 CG1 VAL B 24 9.533 -0.448 -3.232 1.00 0.00 C ATOM 933 CG2 VAL B 24 7.769 -0.016 -1.534 1.00 0.00 C ATOM 0 H VAL B 24 8.078 2.485 -0.903 1.00 0.00 H new ATOM 0 HA VAL B 24 10.349 0.902 -1.008 1.00 0.00 H new ATOM 0 HB VAL B 24 8.242 1.260 -3.166 1.00 0.00 H new ATOM 0 HG11 VAL B 24 8.822 -1.074 -3.771 1.00 0.00 H new ATOM 0 HG12 VAL B 24 10.214 0.022 -3.942 1.00 0.00 H new ATOM 0 HG13 VAL B 24 10.103 -1.063 -2.535 1.00 0.00 H new ATOM 0 HG21 VAL B 24 7.090 -0.643 -2.113 1.00 0.00 H new ATOM 0 HG22 VAL B 24 8.288 -0.628 -0.797 1.00 0.00 H new ATOM 0 HG23 VAL B 24 7.199 0.761 -1.024 1.00 0.00 H new ATOM 943 N ALA B 25 10.125 3.208 -3.393 1.00 0.00 N ATOM 944 CA ALA B 25 10.865 3.942 -4.411 1.00 0.00 C ATOM 945 C ALA B 25 12.084 4.633 -3.812 1.00 0.00 C ATOM 946 O ALA B 25 13.165 4.621 -4.399 1.00 0.00 O ATOM 947 CB ALA B 25 9.958 4.962 -5.086 1.00 0.00 C ATOM 0 H ALA B 25 9.162 3.520 -3.268 1.00 0.00 H new ATOM 0 HA ALA B 25 11.215 3.229 -5.158 1.00 0.00 H new ATOM 0 HB1 ALA B 25 10.522 5.504 -5.845 1.00 0.00 H new ATOM 0 HB2 ALA B 25 9.119 4.448 -5.555 1.00 0.00 H new ATOM 0 HB3 ALA B 25 9.583 5.664 -4.342 1.00 0.00 H new ATOM 953 N ARG B 26 11.903 5.222 -2.634 1.00 0.00 N ATOM 954 CA ARG B 26 12.984 5.914 -1.944 1.00 0.00 C ATOM 955 C ARG B 26 14.093 4.925 -1.584 1.00 0.00 C ATOM 956 O ARG B 26 15.260 5.141 -1.908 1.00 0.00 O ATOM 957 CB ARG B 26 12.436 6.614 -0.688 1.00 0.00 C ATOM 958 CG ARG B 26 13.417 7.565 -0.008 1.00 0.00 C ATOM 959 CD ARG B 26 14.381 6.833 0.911 1.00 0.00 C ATOM 960 NE ARG B 26 15.322 7.744 1.558 1.00 0.00 N ATOM 961 CZ ARG B 26 15.929 7.489 2.717 1.00 0.00 C ATOM 962 NH1 ARG B 26 15.660 6.369 3.378 1.00 0.00 N ATOM 963 NH2 ARG B 26 16.786 8.365 3.226 1.00 0.00 N ATOM 0 H ARG B 26 11.013 5.233 -2.136 1.00 0.00 H new ATOM 0 HA ARG B 26 13.408 6.673 -2.602 1.00 0.00 H new ATOM 0 HB2 ARG B 26 11.541 7.172 -0.961 1.00 0.00 H new ATOM 0 HB3 ARG B 26 12.131 5.854 0.031 1.00 0.00 H new ATOM 0 HG2 ARG B 26 13.981 8.106 -0.767 1.00 0.00 H new ATOM 0 HG3 ARG B 26 12.862 8.307 0.566 1.00 0.00 H new ATOM 0 HD2 ARG B 26 13.817 6.294 1.672 1.00 0.00 H new ATOM 0 HD3 ARG B 26 14.934 6.089 0.337 1.00 0.00 H new ATOM 0 HE ARG B 26 15.527 8.629 1.095 1.00 0.00 H new ATOM 0 HH11 ARG B 26 14.988 5.702 2.999 1.00 0.00 H new ATOM 0 HH12 ARG B 26 16.126 6.176 4.265 1.00 0.00 H new ATOM 0 HH21 ARG B 26 16.981 9.235 2.730 1.00 0.00 H new ATOM 0 HH22 ARG B 26 17.250 8.169 4.113 1.00 0.00 H new ATOM 977 N LEU B 27 13.715 3.832 -0.933 1.00 0.00 N ATOM 978 CA LEU B 27 14.670 2.797 -0.543 1.00 0.00 C ATOM 979 C LEU B 27 15.347 2.192 -1.767 1.00 0.00 C ATOM 980 O LEU B 27 16.537 1.882 -1.740 1.00 0.00 O ATOM 981 CB LEU B 27 13.971 1.689 0.246 1.00 0.00 C ATOM 982 CG LEU B 27 13.931 1.852 1.774 1.00 0.00 C ATOM 983 CD1 LEU B 27 13.590 3.275 2.184 1.00 0.00 C ATOM 984 CD2 LEU B 27 12.922 0.889 2.375 1.00 0.00 C ATOM 0 H LEU B 27 12.751 3.637 -0.662 1.00 0.00 H new ATOM 0 HA LEU B 27 15.427 3.266 0.086 1.00 0.00 H new ATOM 0 HB2 LEU B 27 12.946 1.609 -0.115 1.00 0.00 H new ATOM 0 HB3 LEU B 27 14.464 0.744 0.017 1.00 0.00 H new ATOM 0 HG LEU B 27 14.927 1.625 2.153 1.00 0.00 H new ATOM 0 HD11 LEU B 27 13.572 3.346 3.272 1.00 0.00 H new ATOM 0 HD12 LEU B 27 14.342 3.958 1.788 1.00 0.00 H new ATOM 0 HD13 LEU B 27 12.611 3.543 1.787 1.00 0.00 H new ATOM 0 HD21 LEU B 27 12.901 1.012 3.458 1.00 0.00 H new ATOM 0 HD22 LEU B 27 11.933 1.097 1.967 1.00 0.00 H new ATOM 0 HD23 LEU B 27 13.207 -0.135 2.132 1.00 0.00 H new ATOM 996 N LYS B 28 14.582 2.039 -2.841 1.00 0.00 N ATOM 997 CA LYS B 28 15.086 1.449 -4.073 1.00 0.00 C ATOM 998 C LYS B 28 16.197 2.311 -4.675 1.00 0.00 C ATOM 999 O LYS B 28 17.059 1.809 -5.388 1.00 0.00 O ATOM 1000 CB LYS B 28 13.943 1.273 -5.080 1.00 0.00 C ATOM 1001 CG LYS B 28 14.328 0.559 -6.375 1.00 0.00 C ATOM 1002 CD LYS B 28 14.661 -0.914 -6.157 1.00 0.00 C ATOM 1003 CE LYS B 28 16.147 -1.146 -5.902 1.00 0.00 C ATOM 1004 NZ LYS B 28 16.995 -0.673 -7.029 1.00 0.00 N ATOM 0 H LYS B 28 13.602 2.318 -2.882 1.00 0.00 H new ATOM 0 HA LYS B 28 15.505 0.470 -3.839 1.00 0.00 H new ATOM 0 HB2 LYS B 28 13.139 0.715 -4.600 1.00 0.00 H new ATOM 0 HB3 LYS B 28 13.544 2.256 -5.330 1.00 0.00 H new ATOM 0 HG2 LYS B 28 13.508 0.640 -7.088 1.00 0.00 H new ATOM 0 HG3 LYS B 28 15.188 1.060 -6.820 1.00 0.00 H new ATOM 0 HD2 LYS B 28 14.087 -1.291 -5.311 1.00 0.00 H new ATOM 0 HD3 LYS B 28 14.352 -1.486 -7.032 1.00 0.00 H new ATOM 0 HE2 LYS B 28 16.441 -0.630 -4.988 1.00 0.00 H new ATOM 0 HE3 LYS B 28 16.324 -2.209 -5.739 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 17.830 -1.286 -7.116 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 16.448 -0.706 -7.913 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 17.301 0.304 -6.847 1.00 0.00 H new ATOM 1018 N LYS B 29 16.172 3.607 -4.385 1.00 0.00 N ATOM 1019 CA LYS B 29 17.215 4.512 -4.856 1.00 0.00 C ATOM 1020 C LYS B 29 18.502 4.290 -4.072 1.00 0.00 C ATOM 1021 O LYS B 29 19.604 4.379 -4.616 1.00 0.00 O ATOM 1022 CB LYS B 29 16.765 5.968 -4.724 1.00 0.00 C ATOM 1023 CG LYS B 29 15.528 6.294 -5.541 1.00 0.00 C ATOM 1024 CD LYS B 29 15.132 7.753 -5.401 1.00 0.00 C ATOM 1025 CE LYS B 29 13.851 8.059 -6.164 1.00 0.00 C ATOM 1026 NZ LYS B 29 13.979 7.758 -7.615 1.00 0.00 N ATOM 0 H LYS B 29 15.444 4.054 -3.828 1.00 0.00 H new ATOM 0 HA LYS B 29 17.402 4.300 -5.909 1.00 0.00 H new ATOM 0 HB2 LYS B 29 16.566 6.185 -3.675 1.00 0.00 H new ATOM 0 HB3 LYS B 29 17.580 6.622 -5.036 1.00 0.00 H new ATOM 0 HG2 LYS B 29 15.715 6.066 -6.591 1.00 0.00 H new ATOM 0 HG3 LYS B 29 14.702 5.660 -5.219 1.00 0.00 H new ATOM 0 HD2 LYS B 29 14.995 7.994 -4.347 1.00 0.00 H new ATOM 0 HD3 LYS B 29 15.938 8.387 -5.771 1.00 0.00 H new ATOM 0 HE2 LYS B 29 13.031 7.476 -5.744 1.00 0.00 H new ATOM 0 HE3 LYS B 29 13.594 9.110 -6.033 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 13.161 8.150 -8.124 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 14.853 8.185 -7.982 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 14.012 6.728 -7.754 1.00 0.00 H new ATOM 1040 N LEU B 30 18.352 3.990 -2.791 1.00 0.00 N ATOM 1041 CA LEU B 30 19.490 3.691 -1.930 1.00 0.00 C ATOM 1042 C LEU B 30 20.039 2.312 -2.264 1.00 0.00 C ATOM 1043 O LEU B 30 21.248 2.090 -2.249 1.00 0.00 O ATOM 1044 CB LEU B 30 19.099 3.766 -0.449 1.00 0.00 C ATOM 1045 CG LEU B 30 19.010 5.181 0.145 1.00 0.00 C ATOM 1046 CD1 LEU B 30 17.905 5.993 -0.509 1.00 0.00 C ATOM 1047 CD2 LEU B 30 18.795 5.113 1.648 1.00 0.00 C ATOM 0 H LEU B 30 17.448 3.947 -2.321 1.00 0.00 H new ATOM 0 HA LEU B 30 20.263 4.439 -2.108 1.00 0.00 H new ATOM 0 HB2 LEU B 30 18.133 3.277 -0.322 1.00 0.00 H new ATOM 0 HB3 LEU B 30 19.825 3.194 0.129 1.00 0.00 H new ATOM 0 HG LEU B 30 19.956 5.684 -0.056 1.00 0.00 H new ATOM 0 HD11 LEU B 30 17.872 6.987 -0.064 1.00 0.00 H new ATOM 0 HD12 LEU B 30 18.101 6.080 -1.578 1.00 0.00 H new ATOM 0 HD13 LEU B 30 16.948 5.495 -0.356 1.00 0.00 H new ATOM 0 HD21 LEU B 30 18.734 6.123 2.053 1.00 0.00 H new ATOM 0 HD22 LEU B 30 17.867 4.581 1.859 1.00 0.00 H new ATOM 0 HD23 LEU B 30 19.629 4.586 2.111 1.00 0.00 H new ATOM 1059 N VAL B 31 19.138 1.393 -2.588 1.00 0.00 N ATOM 1060 CA VAL B 31 19.521 0.081 -3.096 1.00 0.00 C ATOM 1061 C VAL B 31 19.622 0.159 -4.625 1.00 0.00 C ATOM 1062 O VAL B 31 19.431 -0.821 -5.348 1.00 0.00 O ATOM 1063 CB VAL B 31 18.505 -1.013 -2.676 1.00 0.00 C ATOM 1064 CG1 VAL B 31 19.047 -2.407 -2.962 1.00 0.00 C ATOM 1065 CG2 VAL B 31 18.148 -0.882 -1.204 1.00 0.00 C ATOM 0 H VAL B 31 18.131 1.533 -2.507 1.00 0.00 H new ATOM 0 HA VAL B 31 20.485 -0.196 -2.669 1.00 0.00 H new ATOM 0 HB VAL B 31 17.602 -0.869 -3.269 1.00 0.00 H new ATOM 0 HG11 VAL B 31 18.313 -3.153 -2.657 1.00 0.00 H new ATOM 0 HG12 VAL B 31 19.245 -2.508 -4.029 1.00 0.00 H new ATOM 0 HG13 VAL B 31 19.971 -2.559 -2.405 1.00 0.00 H new ATOM 0 HG21 VAL B 31 17.434 -1.660 -0.932 1.00 0.00 H new ATOM 0 HG22 VAL B 31 19.049 -0.989 -0.600 1.00 0.00 H new ATOM 0 HG23 VAL B 31 17.704 0.097 -1.023 1.00 0.00 H new ATOM 1075 N GLY B 32 19.890 1.360 -5.106 1.00 0.00 N ATOM 1076 CA GLY B 32 20.037 1.589 -6.524 1.00 0.00 C ATOM 1077 C GLY B 32 21.435 2.047 -6.860 1.00 0.00 C ATOM 1078 O GLY B 32 21.995 1.679 -7.896 1.00 0.00 O ATOM 0 H GLY B 32 20.010 2.192 -4.529 1.00 0.00 H new ATOM 0 HA2 GLY B 32 19.811 0.672 -7.069 1.00 0.00 H new ATOM 0 HA3 GLY B 32 19.317 2.339 -6.851 1.00 0.00 H new ATOM 1082 N GLU B 33 21.998 2.861 -5.982 1.00 0.00 N ATOM 1083 CA GLU B 33 23.371 3.303 -6.125 1.00 0.00 C ATOM 1084 C GLU B 33 24.314 2.252 -5.548 1.00 0.00 C ATOM 1085 O GLU B 33 24.538 2.262 -4.319 1.00 0.00 O ATOM 1086 CB GLU B 33 23.576 4.647 -5.423 1.00 0.00 C ATOM 1087 CG GLU B 33 24.978 5.207 -5.583 1.00 0.00 C ATOM 1088 CD GLU B 33 25.207 6.458 -4.760 1.00 0.00 C ATOM 1089 OE1 GLU B 33 24.999 7.564 -5.292 1.00 0.00 O ATOM 1090 OE2 GLU B 33 25.599 6.328 -3.582 1.00 0.00 O ATOM 1091 OXT GLU B 33 24.807 1.405 -6.322 1.00 0.00 O ATOM 0 H GLU B 33 21.520 3.229 -5.159 1.00 0.00 H new ATOM 0 HA GLU B 33 23.592 3.434 -7.184 1.00 0.00 H new ATOM 0 HB2 GLU B 33 22.859 5.367 -5.817 1.00 0.00 H new ATOM 0 HB3 GLU B 33 23.359 4.530 -4.361 1.00 0.00 H new ATOM 0 HG2 GLU B 33 25.703 4.448 -5.291 1.00 0.00 H new ATOM 0 HG3 GLU B 33 25.157 5.431 -6.635 1.00 0.00 H new TER 1098 GLU B 33