USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=18 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: A 17 ASN : amide:sc= -2.16! C(o=-4.2!,f=-7.4!) USER MOD Set 1.2: B 17 ASN : amide:sc= -2.06! C(o=-4.2!,f=-7.1!) USER MOD Set 2.1: B 5 GLN : amide:sc= -0.334 K(o=0.9,f=-15!) USER MOD Set 2.2: B 9 LYS NZ :NH3+ -158:sc= 1.23 (180deg=-0.125) USER MOD Set 3.1: A 5 GLN : amide:sc= -0.343! C(o=0.88!,f=-15!) USER MOD Set 3.2: A 9 LYS NZ :NH3+ -155:sc= 1.23 (180deg=-0.114) USER MOD Set 4.1: A 2 SER OG : rot 160:sc= 0 USER MOD Set 4.2: A 3 MET CE :methyl -131:sc= -0.122 (180deg=-2.17) USER MOD Set 4.3: B 2 SER OG : rot 150:sc= 0 USER MOD Set 4.4: B 3 MET CE :methyl -132:sc= -0.116 (180deg=-2.07) USER MOD Single : A 1 GLY N :NH3+ -139:sc= 0.0324 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 168:sc= -0.0171 (180deg=-0.185) USER MOD Single : A 15 SER OG : rot 65:sc= 1.22 USER MOD Single : A 16 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00285) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 ASN :FLIP amide:sc= 0.107 F(o=-1.3!,f=0.11) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 GLY N :NH3+ -142:sc= 0.0323 (180deg=0) USER MOD Single : B 4 LYS NZ :NH3+ 168:sc= -0.016 (180deg=-0.181) USER MOD Single : B 15 SER OG : rot 71:sc= 1.24 USER MOD Single : B 16 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0065) USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 22 ASN :FLIP amide:sc= 0.0645 F(o=-1.3!,f=0.064) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -26.566 -5.887 -1.232 1.00 0.00 N ATOM 2 CA GLY A 1 -25.948 -4.550 -1.084 1.00 0.00 C ATOM 3 C GLY A 1 -24.659 -4.440 -1.864 1.00 0.00 C ATOM 4 O GLY A 1 -24.500 -5.082 -2.905 1.00 0.00 O ATOM 0 H1 GLY A 1 -27.595 -5.784 -1.339 1.00 0.00 H new ATOM 0 H2 GLY A 1 -26.176 -6.358 -2.073 1.00 0.00 H new ATOM 0 H3 GLY A 1 -26.361 -6.459 -0.388 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -26.647 -3.786 -1.426 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -25.753 -4.354 -0.030 1.00 0.00 H new ATOM 10 N SER A 2 -23.732 -3.637 -1.367 1.00 0.00 N ATOM 11 CA SER A 2 -22.450 -3.461 -2.026 1.00 0.00 C ATOM 12 C SER A 2 -21.299 -3.732 -1.063 1.00 0.00 C ATOM 13 O SER A 2 -20.171 -3.300 -1.290 1.00 0.00 O ATOM 14 CB SER A 2 -22.353 -2.047 -2.604 1.00 0.00 C ATOM 15 OG SER A 2 -22.701 -1.071 -1.635 1.00 0.00 O ATOM 0 H SER A 2 -23.844 -3.097 -0.509 1.00 0.00 H new ATOM 0 HA SER A 2 -22.375 -4.181 -2.841 1.00 0.00 H new ATOM 0 HB2 SER A 2 -21.338 -1.865 -2.959 1.00 0.00 H new ATOM 0 HB3 SER A 2 -23.013 -1.958 -3.467 1.00 0.00 H new ATOM 0 HG SER A 2 -22.336 -0.201 -1.901 1.00 0.00 H new ATOM 21 N MET A 3 -21.584 -4.473 0.004 1.00 0.00 N ATOM 22 CA MET A 3 -20.579 -4.775 1.023 1.00 0.00 C ATOM 23 C MET A 3 -19.408 -5.549 0.426 1.00 0.00 C ATOM 24 O MET A 3 -18.270 -5.411 0.868 1.00 0.00 O ATOM 25 CB MET A 3 -21.201 -5.566 2.178 1.00 0.00 C ATOM 26 CG MET A 3 -21.956 -4.718 3.200 1.00 0.00 C ATOM 27 SD MET A 3 -23.317 -3.754 2.500 1.00 0.00 S ATOM 28 CE MET A 3 -22.492 -2.209 2.102 1.00 0.00 C ATOM 0 H MET A 3 -22.503 -4.876 0.187 1.00 0.00 H new ATOM 0 HA MET A 3 -20.202 -3.828 1.410 1.00 0.00 H new ATOM 0 HB2 MET A 3 -21.885 -6.308 1.765 1.00 0.00 H new ATOM 0 HB3 MET A 3 -20.411 -6.113 2.693 1.00 0.00 H new ATOM 0 HG2 MET A 3 -22.351 -5.372 3.978 1.00 0.00 H new ATOM 0 HG3 MET A 3 -21.253 -4.038 3.682 1.00 0.00 H new ATOM 0 HE1 MET A 3 -23.075 -1.374 2.491 1.00 0.00 H new ATOM 0 HE2 MET A 3 -21.500 -2.200 2.553 1.00 0.00 H new ATOM 0 HE3 MET A 3 -22.400 -2.114 1.020 1.00 0.00 H new ATOM 38 N LYS A 4 -19.690 -6.333 -0.605 1.00 0.00 N ATOM 39 CA LYS A 4 -18.664 -7.108 -1.290 1.00 0.00 C ATOM 40 C LYS A 4 -17.842 -6.218 -2.217 1.00 0.00 C ATOM 41 O LYS A 4 -16.872 -6.656 -2.811 1.00 0.00 O ATOM 42 CB LYS A 4 -19.292 -8.247 -2.096 1.00 0.00 C ATOM 43 CG LYS A 4 -20.025 -9.277 -1.253 1.00 0.00 C ATOM 44 CD LYS A 4 -20.622 -10.374 -2.120 1.00 0.00 C ATOM 45 CE LYS A 4 -21.344 -11.423 -1.291 1.00 0.00 C ATOM 46 NZ LYS A 4 -22.473 -10.844 -0.518 1.00 0.00 N ATOM 0 H LYS A 4 -20.628 -6.450 -0.988 1.00 0.00 H new ATOM 0 HA LYS A 4 -18.006 -7.532 -0.531 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -19.989 -7.824 -2.819 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -18.509 -8.750 -2.664 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -19.337 -9.715 -0.530 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -20.816 -8.789 -0.684 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -21.318 -9.934 -2.834 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -19.831 -10.850 -2.699 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -21.719 -12.208 -1.947 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -20.638 -11.892 -0.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -23.059 -11.611 -0.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -22.100 -10.267 0.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -23.052 -10.248 -1.143 1.00 0.00 H new ATOM 60 N GLN A 5 -18.236 -4.966 -2.329 1.00 0.00 N ATOM 61 CA GLN A 5 -17.533 -4.011 -3.166 1.00 0.00 C ATOM 62 C GLN A 5 -16.632 -3.161 -2.301 1.00 0.00 C ATOM 63 O GLN A 5 -15.512 -2.845 -2.689 1.00 0.00 O ATOM 64 CB GLN A 5 -18.509 -3.138 -3.954 1.00 0.00 C ATOM 65 CG GLN A 5 -19.157 -3.852 -5.127 1.00 0.00 C ATOM 66 CD GLN A 5 -18.180 -4.143 -6.256 1.00 0.00 C ATOM 67 OE1 GLN A 5 -16.982 -4.333 -6.035 1.00 0.00 O ATOM 68 NE2 GLN A 5 -18.688 -4.177 -7.475 1.00 0.00 N ATOM 0 H GLN A 5 -19.048 -4.582 -1.846 1.00 0.00 H new ATOM 0 HA GLN A 5 -16.930 -4.556 -3.892 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -19.289 -2.782 -3.281 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -17.980 -2.259 -4.322 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -19.593 -4.789 -4.780 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -19.976 -3.242 -5.510 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -19.685 -4.015 -7.617 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -18.083 -4.366 -8.274 1.00 0.00 H new ATOM 77 N LEU A 6 -17.118 -2.814 -1.113 1.00 0.00 N ATOM 78 CA LEU A 6 -16.273 -2.167 -0.124 1.00 0.00 C ATOM 79 C LEU A 6 -15.147 -3.131 0.196 1.00 0.00 C ATOM 80 O LEU A 6 -13.975 -2.847 -0.024 1.00 0.00 O ATOM 81 CB LEU A 6 -17.027 -1.856 1.195 1.00 0.00 C ATOM 82 CG LEU A 6 -17.992 -0.682 1.203 1.00 0.00 C ATOM 83 CD1 LEU A 6 -19.299 -1.081 0.565 1.00 0.00 C ATOM 84 CD2 LEU A 6 -18.220 -0.197 2.626 1.00 0.00 C ATOM 0 H LEU A 6 -18.082 -2.969 -0.817 1.00 0.00 H new ATOM 0 HA LEU A 6 -15.923 -1.220 -0.534 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -17.584 -2.749 1.480 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -16.283 -1.683 1.973 1.00 0.00 H new ATOM 0 HG LEU A 6 -17.558 0.135 0.626 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -19.983 -0.233 0.576 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -19.122 -1.391 -0.465 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -19.738 -1.908 1.122 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -18.913 0.644 2.617 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -18.639 -1.006 3.223 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -17.271 0.119 3.059 1.00 0.00 H new ATOM 96 N GLU A 7 -15.541 -4.319 0.651 1.00 0.00 N ATOM 97 CA GLU A 7 -14.591 -5.323 1.098 1.00 0.00 C ATOM 98 C GLU A 7 -13.639 -5.733 -0.017 1.00 0.00 C ATOM 99 O GLU A 7 -12.455 -5.949 0.232 1.00 0.00 O ATOM 100 CB GLU A 7 -15.323 -6.551 1.637 1.00 0.00 C ATOM 101 CG GLU A 7 -16.103 -6.282 2.915 1.00 0.00 C ATOM 102 CD GLU A 7 -16.880 -7.493 3.389 1.00 0.00 C ATOM 103 OE1 GLU A 7 -18.100 -7.554 3.130 1.00 0.00 O ATOM 104 OE2 GLU A 7 -16.268 -8.383 4.014 1.00 0.00 O ATOM 0 H GLU A 7 -16.518 -4.606 0.718 1.00 0.00 H new ATOM 0 HA GLU A 7 -14.000 -4.878 1.898 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -16.008 -6.919 0.874 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -14.598 -7.343 1.824 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -15.413 -5.968 3.698 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -16.793 -5.455 2.748 1.00 0.00 H new ATOM 111 N ASP A 8 -14.134 -5.823 -1.248 1.00 0.00 N ATOM 112 CA ASP A 8 -13.276 -6.303 -2.336 1.00 0.00 C ATOM 113 C ASP A 8 -12.308 -5.229 -2.824 1.00 0.00 C ATOM 114 O ASP A 8 -11.142 -5.521 -3.089 1.00 0.00 O ATOM 115 CB ASP A 8 -14.088 -6.851 -3.508 1.00 0.00 C ATOM 116 CG ASP A 8 -14.376 -8.335 -3.361 1.00 0.00 C ATOM 117 OD1 ASP A 8 -13.803 -9.132 -4.133 1.00 0.00 O ATOM 118 OD2 ASP A 8 -15.163 -8.703 -2.464 1.00 0.00 O ATOM 0 H ASP A 8 -15.088 -5.581 -1.516 1.00 0.00 H new ATOM 0 HA ASP A 8 -12.690 -7.120 -1.916 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -15.029 -6.306 -3.583 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -13.545 -6.678 -4.437 1.00 0.00 H new ATOM 123 N LYS A 9 -12.776 -3.992 -2.924 1.00 0.00 N ATOM 124 CA LYS A 9 -11.949 -2.917 -3.463 1.00 0.00 C ATOM 125 C LYS A 9 -10.901 -2.453 -2.452 1.00 0.00 C ATOM 126 O LYS A 9 -9.758 -2.170 -2.822 1.00 0.00 O ATOM 127 CB LYS A 9 -12.817 -1.737 -3.910 1.00 0.00 C ATOM 128 CG LYS A 9 -13.729 -2.054 -5.087 1.00 0.00 C ATOM 129 CD LYS A 9 -12.936 -2.341 -6.353 1.00 0.00 C ATOM 130 CE LYS A 9 -13.846 -2.690 -7.522 1.00 0.00 C ATOM 131 NZ LYS A 9 -14.583 -3.964 -7.302 1.00 0.00 N ATOM 0 H LYS A 9 -13.714 -3.708 -2.642 1.00 0.00 H new ATOM 0 HA LYS A 9 -11.423 -3.314 -4.331 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -13.427 -1.408 -3.069 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -12.169 -0.903 -4.179 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -14.350 -2.916 -4.844 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -14.402 -1.215 -5.262 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -12.333 -1.470 -6.609 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -12.246 -3.165 -6.171 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -14.560 -1.882 -7.678 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -13.251 -2.769 -8.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -14.839 -4.380 -8.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -13.979 -4.628 -6.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -15.447 -3.775 -6.754 1.00 0.00 H new ATOM 145 N VAL A 10 -11.282 -2.383 -1.179 1.00 0.00 N ATOM 146 CA VAL A 10 -10.356 -1.952 -0.135 1.00 0.00 C ATOM 147 C VAL A 10 -9.245 -2.982 0.044 1.00 0.00 C ATOM 148 O VAL A 10 -8.062 -2.646 0.008 1.00 0.00 O ATOM 149 CB VAL A 10 -11.054 -1.738 1.230 1.00 0.00 C ATOM 150 CG1 VAL A 10 -10.086 -1.147 2.237 1.00 0.00 C ATOM 151 CG2 VAL A 10 -12.270 -0.841 1.108 1.00 0.00 C ATOM 0 H VAL A 10 -12.218 -2.617 -0.847 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.946 -0.996 -0.462 1.00 0.00 H new ATOM 0 HB VAL A 10 -11.387 -2.716 1.576 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -10.595 -1.004 3.190 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -9.244 -1.825 2.374 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -9.723 -0.186 1.872 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -12.730 -0.717 2.088 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -11.967 0.133 0.723 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -12.989 -1.293 0.424 1.00 0.00 H new ATOM 161 N GLU A 11 -9.631 -4.245 0.205 1.00 0.00 N ATOM 162 CA GLU A 11 -8.666 -5.318 0.422 1.00 0.00 C ATOM 163 C GLU A 11 -7.831 -5.572 -0.833 1.00 0.00 C ATOM 164 O GLU A 11 -6.802 -6.247 -0.779 1.00 0.00 O ATOM 165 CB GLU A 11 -9.371 -6.601 0.861 1.00 0.00 C ATOM 166 CG GLU A 11 -10.037 -6.483 2.224 1.00 0.00 C ATOM 167 CD GLU A 11 -10.735 -7.759 2.648 1.00 0.00 C ATOM 168 OE1 GLU A 11 -10.063 -8.637 3.227 1.00 0.00 O ATOM 169 OE2 GLU A 11 -11.955 -7.877 2.406 1.00 0.00 O ATOM 0 H GLU A 11 -10.604 -4.550 0.189 1.00 0.00 H new ATOM 0 HA GLU A 11 -7.993 -5.002 1.219 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -10.123 -6.867 0.118 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.647 -7.415 0.887 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -9.286 -6.220 2.969 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -10.761 -5.669 2.200 1.00 0.00 H new ATOM 176 N GLU A 12 -8.271 -5.020 -1.956 1.00 0.00 N ATOM 177 CA GLU A 12 -7.500 -5.072 -3.188 1.00 0.00 C ATOM 178 C GLU A 12 -6.245 -4.227 -3.022 1.00 0.00 C ATOM 179 O GLU A 12 -5.141 -4.661 -3.344 1.00 0.00 O ATOM 180 CB GLU A 12 -8.335 -4.566 -4.370 1.00 0.00 C ATOM 181 CG GLU A 12 -7.624 -4.649 -5.713 1.00 0.00 C ATOM 182 CD GLU A 12 -7.300 -6.075 -6.117 1.00 0.00 C ATOM 183 OE1 GLU A 12 -6.186 -6.544 -5.804 1.00 0.00 O ATOM 184 OE2 GLU A 12 -8.163 -6.722 -6.744 1.00 0.00 O ATOM 0 H GLU A 12 -9.162 -4.530 -2.038 1.00 0.00 H new ATOM 0 HA GLU A 12 -7.219 -6.105 -3.396 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -9.258 -5.144 -4.423 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -8.618 -3.530 -4.184 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -8.250 -4.192 -6.480 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.702 -4.070 -5.667 1.00 0.00 H new ATOM 191 N LEU A 13 -6.421 -3.026 -2.486 1.00 0.00 N ATOM 192 CA LEU A 13 -5.286 -2.169 -2.178 1.00 0.00 C ATOM 193 C LEU A 13 -4.550 -2.684 -0.949 1.00 0.00 C ATOM 194 O LEU A 13 -3.367 -2.410 -0.766 1.00 0.00 O ATOM 195 CB LEU A 13 -5.728 -0.723 -1.963 1.00 0.00 C ATOM 196 CG LEU A 13 -6.208 0.002 -3.220 1.00 0.00 C ATOM 197 CD1 LEU A 13 -6.578 1.433 -2.889 1.00 0.00 C ATOM 198 CD2 LEU A 13 -5.138 -0.025 -4.300 1.00 0.00 C ATOM 0 H LEU A 13 -7.331 -2.627 -2.257 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.608 -2.192 -3.031 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.531 -0.711 -1.226 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.895 -0.164 -1.536 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.091 -0.515 -3.597 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -6.918 1.939 -3.792 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.376 1.440 -2.147 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.706 1.951 -2.489 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.501 0.497 -5.185 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.238 0.467 -3.933 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.907 -1.059 -4.557 1.00 0.00 H new ATOM 210 N LEU A 14 -5.260 -3.425 -0.106 1.00 0.00 N ATOM 211 CA LEU A 14 -4.649 -4.094 1.037 1.00 0.00 C ATOM 212 C LEU A 14 -3.646 -5.130 0.549 1.00 0.00 C ATOM 213 O LEU A 14 -2.617 -5.368 1.179 1.00 0.00 O ATOM 214 CB LEU A 14 -5.723 -4.782 1.879 1.00 0.00 C ATOM 215 CG LEU A 14 -5.265 -5.295 3.247 1.00 0.00 C ATOM 216 CD1 LEU A 14 -4.934 -4.134 4.168 1.00 0.00 C ATOM 217 CD2 LEU A 14 -6.338 -6.180 3.864 1.00 0.00 C ATOM 0 H LEU A 14 -6.265 -3.578 -0.193 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.137 -3.351 1.649 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.544 -4.082 2.030 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.121 -5.623 1.311 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.362 -5.890 3.111 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.610 -4.518 5.135 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.135 -3.537 3.729 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.819 -3.512 4.302 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.000 -6.538 4.836 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.256 -5.606 3.988 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.528 -7.031 3.210 1.00 0.00 H new ATOM 229 N SER A 15 -3.959 -5.724 -0.591 1.00 0.00 N ATOM 230 CA SER A 15 -3.105 -6.719 -1.208 1.00 0.00 C ATOM 231 C SER A 15 -1.870 -6.045 -1.788 1.00 0.00 C ATOM 232 O SER A 15 -0.773 -6.608 -1.762 1.00 0.00 O ATOM 233 CB SER A 15 -3.875 -7.472 -2.294 1.00 0.00 C ATOM 234 OG SER A 15 -5.046 -8.072 -1.757 1.00 0.00 O ATOM 0 H SER A 15 -4.813 -5.528 -1.113 1.00 0.00 H new ATOM 0 HA SER A 15 -2.787 -7.440 -0.455 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.147 -6.785 -3.096 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.237 -8.238 -2.734 1.00 0.00 H new ATOM 0 HG SER A 15 -5.658 -7.373 -1.446 1.00 0.00 H new ATOM 240 N LYS A 16 -2.044 -4.828 -2.300 1.00 0.00 N ATOM 241 CA LYS A 16 -0.900 -4.042 -2.718 1.00 0.00 C ATOM 242 C LYS A 16 -0.074 -3.639 -1.516 1.00 0.00 C ATOM 243 O LYS A 16 1.122 -3.805 -1.536 1.00 0.00 O ATOM 244 CB LYS A 16 -1.277 -2.792 -3.498 1.00 0.00 C ATOM 245 CG LYS A 16 -1.189 -2.951 -5.007 1.00 0.00 C ATOM 246 CD LYS A 16 -0.510 -1.745 -5.646 1.00 0.00 C ATOM 247 CE LYS A 16 -1.332 -0.476 -5.481 1.00 0.00 C ATOM 248 NZ LYS A 16 -2.518 -0.470 -6.376 1.00 0.00 N ATOM 0 H LYS A 16 -2.950 -4.377 -2.431 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.324 -4.682 -3.386 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.294 -2.504 -3.233 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.624 -1.975 -3.191 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.632 -3.856 -5.249 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.190 -3.072 -5.422 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.473 -1.602 -5.197 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.350 -1.938 -6.707 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.658 -0.385 -4.445 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.709 0.392 -5.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.035 0.425 -6.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.208 -0.566 -7.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.142 -1.265 -6.131 1.00 0.00 H new ATOM 262 N ASN A 17 -0.714 -3.116 -0.468 1.00 0.00 N ATOM 263 CA ASN A 17 0.000 -2.782 0.770 1.00 0.00 C ATOM 264 C ASN A 17 0.776 -3.989 1.259 1.00 0.00 C ATOM 265 O ASN A 17 1.875 -3.856 1.784 1.00 0.00 O ATOM 266 CB ASN A 17 -0.957 -2.330 1.880 1.00 0.00 C ATOM 267 CG ASN A 17 -1.396 -0.887 1.749 1.00 0.00 C ATOM 268 OD1 ASN A 17 -0.702 0.025 2.187 1.00 0.00 O ATOM 269 ND2 ASN A 17 -2.568 -0.670 1.181 1.00 0.00 N ATOM 0 H ASN A 17 -1.714 -2.916 -0.449 1.00 0.00 H new ATOM 0 HA ASN A 17 0.676 -1.958 0.541 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -1.838 -2.972 1.873 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -0.471 -2.467 2.846 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -2.925 0.282 1.095 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.117 -1.454 0.828 1.00 0.00 H new ATOM 276 N TYR A 18 0.196 -5.171 1.084 1.00 0.00 N ATOM 277 CA TYR A 18 0.885 -6.402 1.436 1.00 0.00 C ATOM 278 C TYR A 18 2.158 -6.558 0.600 1.00 0.00 C ATOM 279 O TYR A 18 3.262 -6.625 1.138 1.00 0.00 O ATOM 280 CB TYR A 18 -0.044 -7.605 1.238 1.00 0.00 C ATOM 281 CG TYR A 18 0.599 -8.939 1.547 1.00 0.00 C ATOM 282 CD1 TYR A 18 1.038 -9.239 2.829 1.00 0.00 C ATOM 283 CD2 TYR A 18 0.761 -9.897 0.557 1.00 0.00 C ATOM 284 CE1 TYR A 18 1.623 -10.457 3.115 1.00 0.00 C ATOM 285 CE2 TYR A 18 1.343 -11.117 0.835 1.00 0.00 C ATOM 286 CZ TYR A 18 1.774 -11.393 2.114 1.00 0.00 C ATOM 287 OH TYR A 18 2.359 -12.609 2.393 1.00 0.00 O ATOM 0 H TYR A 18 -0.742 -5.300 0.704 1.00 0.00 H new ATOM 0 HA TYR A 18 1.170 -6.356 2.487 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -0.922 -7.481 1.872 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -0.395 -7.613 0.206 1.00 0.00 H new ATOM 0 HD1 TYR A 18 0.920 -8.508 3.616 1.00 0.00 H new ATOM 0 HD2 TYR A 18 0.426 -9.685 -0.448 1.00 0.00 H new ATOM 0 HE1 TYR A 18 1.960 -10.675 4.117 1.00 0.00 H new ATOM 0 HE2 TYR A 18 1.460 -11.853 0.053 1.00 0.00 H new ATOM 0 HH TYR A 18 2.388 -13.153 1.578 1.00 0.00 H new ATOM 297 N HIS A 19 1.996 -6.570 -0.718 1.00 0.00 N ATOM 298 CA HIS A 19 3.116 -6.782 -1.634 1.00 0.00 C ATOM 299 C HIS A 19 4.090 -5.601 -1.614 1.00 0.00 C ATOM 300 O HIS A 19 5.303 -5.785 -1.693 1.00 0.00 O ATOM 301 CB HIS A 19 2.591 -7.012 -3.054 1.00 0.00 C ATOM 302 CG HIS A 19 3.640 -7.450 -4.033 1.00 0.00 C ATOM 303 ND1 HIS A 19 4.034 -8.762 -4.176 1.00 0.00 N ATOM 304 CD2 HIS A 19 4.369 -6.743 -4.927 1.00 0.00 C ATOM 305 CE1 HIS A 19 4.960 -8.841 -5.113 1.00 0.00 C ATOM 306 NE2 HIS A 19 5.181 -7.630 -5.585 1.00 0.00 N ATOM 0 H HIS A 19 1.097 -6.435 -1.180 1.00 0.00 H new ATOM 0 HA HIS A 19 3.661 -7.666 -1.302 1.00 0.00 H new ATOM 0 HB2 HIS A 19 1.804 -7.765 -3.021 1.00 0.00 H new ATOM 0 HB3 HIS A 19 2.135 -6.090 -3.415 1.00 0.00 H new ATOM 0 HD2 HIS A 19 4.320 -5.677 -5.092 1.00 0.00 H new ATOM 0 HE1 HIS A 19 5.453 -9.745 -5.438 1.00 0.00 H new ATOM 0 HE2 HIS A 19 5.847 -7.392 -6.320 1.00 0.00 H new ATOM 315 N LEU A 20 3.553 -4.394 -1.512 1.00 0.00 N ATOM 316 CA LEU A 20 4.337 -3.191 -1.496 1.00 0.00 C ATOM 317 C LEU A 20 5.161 -3.098 -0.204 1.00 0.00 C ATOM 318 O LEU A 20 6.290 -2.613 -0.217 1.00 0.00 O ATOM 319 CB LEU A 20 3.389 -1.994 -1.675 1.00 0.00 C ATOM 320 CG LEU A 20 4.041 -0.643 -1.622 1.00 0.00 C ATOM 321 CD1 LEU A 20 5.184 -0.559 -2.601 1.00 0.00 C ATOM 322 CD2 LEU A 20 3.051 0.470 -1.898 1.00 0.00 C ATOM 0 H LEU A 20 2.549 -4.232 -1.438 1.00 0.00 H new ATOM 0 HA LEU A 20 5.055 -3.193 -2.316 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.880 -2.096 -2.633 1.00 0.00 H new ATOM 0 HB3 LEU A 20 2.623 -2.040 -0.901 1.00 0.00 H new ATOM 0 HG LEU A 20 4.426 -0.515 -0.610 1.00 0.00 H new ATOM 0 HD11 LEU A 20 5.640 0.429 -2.544 1.00 0.00 H new ATOM 0 HD12 LEU A 20 5.928 -1.317 -2.357 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.811 -0.729 -3.611 1.00 0.00 H new ATOM 0 HD21 LEU A 20 3.562 1.432 -1.850 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.621 0.336 -2.891 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.257 0.444 -1.152 1.00 0.00 H new ATOM 334 N GLU A 21 4.611 -3.596 0.904 1.00 0.00 N ATOM 335 CA GLU A 21 5.344 -3.646 2.163 1.00 0.00 C ATOM 336 C GLU A 21 6.368 -4.777 2.112 1.00 0.00 C ATOM 337 O GLU A 21 7.447 -4.671 2.693 1.00 0.00 O ATOM 338 CB GLU A 21 4.385 -3.832 3.350 1.00 0.00 C ATOM 339 CG GLU A 21 4.883 -3.242 4.667 1.00 0.00 C ATOM 340 CD GLU A 21 6.085 -3.969 5.246 1.00 0.00 C ATOM 341 OE1 GLU A 21 5.911 -5.096 5.749 1.00 0.00 O ATOM 342 OE2 GLU A 21 7.198 -3.404 5.203 1.00 0.00 O ATOM 0 H GLU A 21 3.663 -3.969 0.952 1.00 0.00 H new ATOM 0 HA GLU A 21 5.865 -2.700 2.306 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.427 -3.375 3.101 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.203 -4.898 3.490 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.143 -2.195 4.511 1.00 0.00 H new ATOM 0 HG3 GLU A 21 4.072 -3.263 5.394 1.00 0.00 H new ATOM 349 N ASN A 22 6.030 -5.857 1.413 1.00 0.00 N ATOM 350 CA ASN A 22 6.988 -6.936 1.174 1.00 0.00 C ATOM 351 C ASN A 22 8.161 -6.407 0.362 1.00 0.00 C ATOM 352 O ASN A 22 9.310 -6.796 0.576 1.00 0.00 O ATOM 353 CB ASN A 22 6.340 -8.112 0.430 1.00 0.00 C ATOM 354 CG ASN A 22 5.344 -8.893 1.271 1.00 0.00 C ATOM 355 OD1 ASN A 22 5.565 -8.947 2.574 1.00 0.00 O flip ATOM 356 ND2 ASN A 22 4.385 -9.461 0.744 1.00 0.00 N flip ATOM 0 H ASN A 22 5.108 -6.009 1.004 1.00 0.00 H new ATOM 0 HA ASN A 22 7.335 -7.298 2.142 1.00 0.00 H new ATOM 0 HB2 ASN A 22 5.834 -7.734 -0.458 1.00 0.00 H new ATOM 0 HB3 ASN A 22 7.122 -8.789 0.087 1.00 0.00 H new ATOM 0 HD21 ASN A 22 4.246 -9.397 -0.264 1.00 0.00 H new ATOM 0 HD22 ASN A 22 3.731 -9.994 1.316 1.00 0.00 H new ATOM 363 N GLU A 23 7.857 -5.514 -0.572 1.00 0.00 N ATOM 364 CA GLU A 23 8.883 -4.860 -1.368 1.00 0.00 C ATOM 365 C GLU A 23 9.716 -3.929 -0.487 1.00 0.00 C ATOM 366 O GLU A 23 10.933 -3.829 -0.651 1.00 0.00 O ATOM 367 CB GLU A 23 8.238 -4.085 -2.520 1.00 0.00 C ATOM 368 CG GLU A 23 9.236 -3.446 -3.472 1.00 0.00 C ATOM 369 CD GLU A 23 8.560 -2.773 -4.651 1.00 0.00 C ATOM 370 OE1 GLU A 23 8.537 -3.373 -5.745 1.00 0.00 O ATOM 371 OE2 GLU A 23 8.047 -1.649 -4.477 1.00 0.00 O ATOM 0 H GLU A 23 6.904 -5.227 -0.796 1.00 0.00 H new ATOM 0 HA GLU A 23 9.545 -5.616 -1.790 1.00 0.00 H new ATOM 0 HB2 GLU A 23 7.595 -4.761 -3.084 1.00 0.00 H new ATOM 0 HB3 GLU A 23 7.597 -3.307 -2.106 1.00 0.00 H new ATOM 0 HG2 GLU A 23 9.832 -2.711 -2.930 1.00 0.00 H new ATOM 0 HG3 GLU A 23 9.925 -4.208 -3.838 1.00 0.00 H new ATOM 378 N VAL A 24 9.052 -3.254 0.448 1.00 0.00 N ATOM 379 CA VAL A 24 9.738 -2.407 1.418 1.00 0.00 C ATOM 380 C VAL A 24 10.710 -3.229 2.260 1.00 0.00 C ATOM 381 O VAL A 24 11.867 -2.854 2.430 1.00 0.00 O ATOM 382 CB VAL A 24 8.747 -1.676 2.358 1.00 0.00 C ATOM 383 CG1 VAL A 24 9.484 -1.009 3.507 1.00 0.00 C ATOM 384 CG2 VAL A 24 7.967 -0.636 1.599 1.00 0.00 C ATOM 0 H VAL A 24 8.038 -3.278 0.554 1.00 0.00 H new ATOM 0 HA VAL A 24 10.286 -1.658 0.846 1.00 0.00 H new ATOM 0 HB VAL A 24 8.060 -2.421 2.760 1.00 0.00 H new ATOM 0 HG11 VAL A 24 8.768 -0.502 4.153 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.021 -1.764 4.082 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.193 -0.282 3.111 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.276 -0.133 2.276 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.654 0.095 1.173 1.00 0.00 H new ATOM 0 HG23 VAL A 24 7.405 -1.116 0.798 1.00 0.00 H new ATOM 394 N ALA A 25 10.230 -4.357 2.776 1.00 0.00 N ATOM 395 CA ALA A 25 11.045 -5.229 3.616 1.00 0.00 C ATOM 396 C ALA A 25 12.268 -5.724 2.856 1.00 0.00 C ATOM 397 O ALA A 25 13.362 -5.822 3.414 1.00 0.00 O ATOM 398 CB ALA A 25 10.218 -6.405 4.117 1.00 0.00 C ATOM 0 H ALA A 25 9.277 -4.689 2.626 1.00 0.00 H new ATOM 0 HA ALA A 25 11.389 -4.653 4.475 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.839 -7.047 4.742 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.376 -6.035 4.701 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.846 -6.977 3.267 1.00 0.00 H new ATOM 404 N ARG A 26 12.072 -6.026 1.577 1.00 0.00 N ATOM 405 CA ARG A 26 13.165 -6.426 0.700 1.00 0.00 C ATOM 406 C ARG A 26 14.230 -5.341 0.664 1.00 0.00 C ATOM 407 O ARG A 26 15.396 -5.589 0.964 1.00 0.00 O ATOM 408 CB ARG A 26 12.637 -6.690 -0.713 1.00 0.00 C ATOM 409 CG ARG A 26 13.711 -7.107 -1.704 1.00 0.00 C ATOM 410 CD ARG A 26 13.126 -7.341 -3.085 1.00 0.00 C ATOM 411 NE ARG A 26 12.085 -8.369 -3.073 1.00 0.00 N ATOM 412 CZ ARG A 26 11.362 -8.715 -4.136 1.00 0.00 C ATOM 413 NH1 ARG A 26 11.569 -8.123 -5.304 1.00 0.00 N ATOM 414 NH2 ARG A 26 10.430 -9.651 -4.027 1.00 0.00 N ATOM 0 H ARG A 26 11.159 -6.001 1.123 1.00 0.00 H new ATOM 0 HA ARG A 26 13.609 -7.343 1.088 1.00 0.00 H new ATOM 0 HB2 ARG A 26 11.877 -7.470 -0.666 1.00 0.00 H new ATOM 0 HB3 ARG A 26 12.147 -5.789 -1.081 1.00 0.00 H new ATOM 0 HG2 ARG A 26 14.479 -6.335 -1.758 1.00 0.00 H new ATOM 0 HG3 ARG A 26 14.198 -8.017 -1.354 1.00 0.00 H new ATOM 0 HD2 ARG A 26 12.710 -6.408 -3.465 1.00 0.00 H new ATOM 0 HD3 ARG A 26 13.921 -7.638 -3.770 1.00 0.00 H new ATOM 0 HE ARG A 26 11.901 -8.852 -2.193 1.00 0.00 H new ATOM 0 HH11 ARG A 26 12.284 -7.400 -5.390 1.00 0.00 H new ATOM 0 HH12 ARG A 26 11.014 -8.390 -6.117 1.00 0.00 H new ATOM 0 HH21 ARG A 26 10.267 -10.106 -3.129 1.00 0.00 H new ATOM 0 HH22 ARG A 26 9.876 -9.916 -4.841 1.00 0.00 H new ATOM 428 N LEU A 27 13.806 -4.133 0.324 1.00 0.00 N ATOM 429 CA LEU A 27 14.710 -2.995 0.234 1.00 0.00 C ATOM 430 C LEU A 27 15.355 -2.691 1.580 1.00 0.00 C ATOM 431 O LEU A 27 16.532 -2.346 1.648 1.00 0.00 O ATOM 432 CB LEU A 27 13.960 -1.757 -0.252 1.00 0.00 C ATOM 433 CG LEU A 27 13.852 -1.559 -1.771 1.00 0.00 C ATOM 434 CD1 LEU A 27 13.466 -2.845 -2.486 1.00 0.00 C ATOM 435 CD2 LEU A 27 12.838 -0.472 -2.078 1.00 0.00 C ATOM 0 H LEU A 27 12.834 -3.914 0.104 1.00 0.00 H new ATOM 0 HA LEU A 27 15.493 -3.255 -0.479 1.00 0.00 H new ATOM 0 HB2 LEU A 27 12.951 -1.790 0.158 1.00 0.00 H new ATOM 0 HB3 LEU A 27 14.447 -0.878 0.170 1.00 0.00 H new ATOM 0 HG LEU A 27 14.835 -1.261 -2.137 1.00 0.00 H new ATOM 0 HD11 LEU A 27 13.401 -2.660 -3.558 1.00 0.00 H new ATOM 0 HD12 LEU A 27 14.220 -3.608 -2.295 1.00 0.00 H new ATOM 0 HD13 LEU A 27 12.500 -3.190 -2.118 1.00 0.00 H new ATOM 0 HD21 LEU A 27 12.766 -0.336 -3.157 1.00 0.00 H new ATOM 0 HD22 LEU A 27 11.864 -0.761 -1.683 1.00 0.00 H new ATOM 0 HD23 LEU A 27 13.155 0.462 -1.615 1.00 0.00 H new ATOM 447 N LYS A 28 14.576 -2.816 2.647 1.00 0.00 N ATOM 448 CA LYS A 28 15.061 -2.528 3.990 1.00 0.00 C ATOM 449 C LYS A 28 16.262 -3.406 4.333 1.00 0.00 C ATOM 450 O LYS A 28 17.266 -2.922 4.855 1.00 0.00 O ATOM 451 CB LYS A 28 13.941 -2.737 5.016 1.00 0.00 C ATOM 452 CG LYS A 28 14.362 -2.461 6.453 1.00 0.00 C ATOM 453 CD LYS A 28 14.830 -1.027 6.647 1.00 0.00 C ATOM 454 CE LYS A 28 13.694 -0.033 6.477 1.00 0.00 C ATOM 455 NZ LYS A 28 14.137 1.365 6.729 1.00 0.00 N ATOM 0 H LYS A 28 13.602 -3.116 2.607 1.00 0.00 H new ATOM 0 HA LYS A 28 15.378 -1.486 4.022 1.00 0.00 H new ATOM 0 HB2 LYS A 28 13.103 -2.088 4.762 1.00 0.00 H new ATOM 0 HB3 LYS A 28 13.582 -3.764 4.944 1.00 0.00 H new ATOM 0 HG2 LYS A 28 13.524 -2.662 7.121 1.00 0.00 H new ATOM 0 HG3 LYS A 28 15.164 -3.144 6.733 1.00 0.00 H new ATOM 0 HD2 LYS A 28 15.262 -0.918 7.642 1.00 0.00 H new ATOM 0 HD3 LYS A 28 15.619 -0.802 5.930 1.00 0.00 H new ATOM 0 HE2 LYS A 28 13.293 -0.110 5.467 1.00 0.00 H new ATOM 0 HE3 LYS A 28 12.885 -0.286 7.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 13.333 2.012 6.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 14.497 1.445 7.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 14.892 1.616 6.059 1.00 0.00 H new ATOM 469 N LYS A 29 16.168 -4.689 4.010 1.00 0.00 N ATOM 470 CA LYS A 29 17.253 -5.625 4.280 1.00 0.00 C ATOM 471 C LYS A 29 18.404 -5.418 3.298 1.00 0.00 C ATOM 472 O LYS A 29 19.518 -5.893 3.518 1.00 0.00 O ATOM 473 CB LYS A 29 16.756 -7.069 4.198 1.00 0.00 C ATOM 474 CG LYS A 29 15.637 -7.385 5.178 1.00 0.00 C ATOM 475 CD LYS A 29 15.274 -8.864 5.157 1.00 0.00 C ATOM 476 CE LYS A 29 14.802 -9.309 3.781 1.00 0.00 C ATOM 477 NZ LYS A 29 14.478 -10.759 3.742 1.00 0.00 N ATOM 0 H LYS A 29 15.353 -5.106 3.561 1.00 0.00 H new ATOM 0 HA LYS A 29 17.614 -5.434 5.290 1.00 0.00 H new ATOM 0 HB2 LYS A 29 16.407 -7.267 3.185 1.00 0.00 H new ATOM 0 HB3 LYS A 29 17.592 -7.743 4.384 1.00 0.00 H new ATOM 0 HG2 LYS A 29 15.943 -7.099 6.184 1.00 0.00 H new ATOM 0 HG3 LYS A 29 14.758 -6.790 4.931 1.00 0.00 H new ATOM 0 HD2 LYS A 29 16.140 -9.455 5.453 1.00 0.00 H new ATOM 0 HD3 LYS A 29 14.491 -9.057 5.890 1.00 0.00 H new ATOM 0 HE2 LYS A 29 13.921 -8.734 3.497 1.00 0.00 H new ATOM 0 HE3 LYS A 29 15.576 -9.091 3.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 14.161 -11.018 2.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 15.325 -11.311 3.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 13.721 -10.964 4.425 1.00 0.00 H new ATOM 491 N LEU A 30 18.128 -4.702 2.218 1.00 0.00 N ATOM 492 CA LEU A 30 19.137 -4.413 1.210 1.00 0.00 C ATOM 493 C LEU A 30 19.922 -3.162 1.587 1.00 0.00 C ATOM 494 O LEU A 30 21.114 -3.059 1.298 1.00 0.00 O ATOM 495 CB LEU A 30 18.495 -4.263 -0.166 1.00 0.00 C ATOM 496 CG LEU A 30 17.938 -5.561 -0.759 1.00 0.00 C ATOM 497 CD1 LEU A 30 17.032 -5.257 -1.932 1.00 0.00 C ATOM 498 CD2 LEU A 30 19.062 -6.491 -1.198 1.00 0.00 C ATOM 0 H LEU A 30 17.209 -4.309 2.017 1.00 0.00 H new ATOM 0 HA LEU A 30 19.833 -5.250 1.166 1.00 0.00 H new ATOM 0 HB2 LEU A 30 17.687 -3.535 -0.097 1.00 0.00 H new ATOM 0 HB3 LEU A 30 19.235 -3.854 -0.854 1.00 0.00 H new ATOM 0 HG LEU A 30 17.361 -6.064 0.017 1.00 0.00 H new ATOM 0 HD11 LEU A 30 16.644 -6.189 -2.343 1.00 0.00 H new ATOM 0 HD12 LEU A 30 16.202 -4.634 -1.599 1.00 0.00 H new ATOM 0 HD13 LEU A 30 17.597 -4.729 -2.700 1.00 0.00 H new ATOM 0 HD21 LEU A 30 18.637 -7.404 -1.615 1.00 0.00 H new ATOM 0 HD22 LEU A 30 19.670 -5.995 -1.955 1.00 0.00 H new ATOM 0 HD23 LEU A 30 19.685 -6.740 -0.339 1.00 0.00 H new ATOM 510 N VAL A 31 19.251 -2.214 2.230 1.00 0.00 N ATOM 511 CA VAL A 31 19.935 -1.069 2.820 1.00 0.00 C ATOM 512 C VAL A 31 20.629 -1.516 4.100 1.00 0.00 C ATOM 513 O VAL A 31 21.670 -0.984 4.492 1.00 0.00 O ATOM 514 CB VAL A 31 18.958 0.084 3.157 1.00 0.00 C ATOM 515 CG1 VAL A 31 19.713 1.306 3.665 1.00 0.00 C ATOM 516 CG2 VAL A 31 18.108 0.453 1.953 1.00 0.00 C ATOM 0 H VAL A 31 18.239 -2.215 2.356 1.00 0.00 H new ATOM 0 HA VAL A 31 20.654 -0.696 2.091 1.00 0.00 H new ATOM 0 HB VAL A 31 18.295 -0.267 3.948 1.00 0.00 H new ATOM 0 HG11 VAL A 31 19.005 2.102 3.895 1.00 0.00 H new ATOM 0 HG12 VAL A 31 20.267 1.043 4.566 1.00 0.00 H new ATOM 0 HG13 VAL A 31 20.408 1.649 2.898 1.00 0.00 H new ATOM 0 HG21 VAL A 31 17.432 1.265 2.220 1.00 0.00 H new ATOM 0 HG22 VAL A 31 18.754 0.773 1.136 1.00 0.00 H new ATOM 0 HG23 VAL A 31 17.527 -0.414 1.638 1.00 0.00 H new ATOM 526 N GLY A 32 20.038 -2.519 4.733 1.00 0.00 N ATOM 527 CA GLY A 32 20.578 -3.065 5.957 1.00 0.00 C ATOM 528 C GLY A 32 21.842 -3.866 5.730 1.00 0.00 C ATOM 529 O GLY A 32 22.894 -3.533 6.276 1.00 0.00 O ATOM 0 H GLY A 32 19.181 -2.969 4.413 1.00 0.00 H new ATOM 0 HA2 GLY A 32 20.788 -2.252 6.652 1.00 0.00 H new ATOM 0 HA3 GLY A 32 19.829 -3.701 6.428 1.00 0.00 H new ATOM 533 N GLU A 33 21.731 -4.910 4.912 1.00 0.00 N ATOM 534 CA GLU A 33 22.840 -5.818 4.632 1.00 0.00 C ATOM 535 C GLU A 33 23.309 -6.507 5.910 1.00 0.00 C ATOM 536 O GLU A 33 24.386 -6.148 6.429 1.00 0.00 O ATOM 537 CB GLU A 33 24.004 -5.081 3.960 1.00 0.00 C ATOM 538 CG GLU A 33 23.655 -4.486 2.606 1.00 0.00 C ATOM 539 CD GLU A 33 23.260 -5.537 1.586 1.00 0.00 C ATOM 540 OE1 GLU A 33 22.060 -5.875 1.516 1.00 0.00 O ATOM 541 OE2 GLU A 33 24.150 -6.017 0.855 1.00 0.00 O ATOM 542 OXT GLU A 33 22.588 -7.403 6.391 1.00 0.00 O ATOM 0 H GLU A 33 20.868 -5.150 4.424 1.00 0.00 H new ATOM 0 HA GLU A 33 22.480 -6.580 3.940 1.00 0.00 H new ATOM 0 HB2 GLU A 33 24.346 -4.283 4.620 1.00 0.00 H new ATOM 0 HB3 GLU A 33 24.838 -5.773 3.838 1.00 0.00 H new ATOM 0 HG2 GLU A 33 22.836 -3.777 2.726 1.00 0.00 H new ATOM 0 HG3 GLU A 33 24.510 -3.924 2.230 1.00 0.00 H new TER 549 GLU A 33 ATOM 550 N GLY B 1 -26.546 6.051 0.118 1.00 0.00 N ATOM 551 CA GLY B 1 -25.934 4.708 -0.008 1.00 0.00 C ATOM 552 C GLY B 1 -24.676 4.588 0.820 1.00 0.00 C ATOM 553 O GLY B 1 -24.551 5.232 1.863 1.00 0.00 O ATOM 0 H1 GLY B 1 -27.582 5.960 0.135 1.00 0.00 H new ATOM 0 H2 GLY B 1 -26.223 6.498 1.000 1.00 0.00 H new ATOM 0 H3 GLY B 1 -26.263 6.639 -0.692 1.00 0.00 H new ATOM 0 HA2 GLY B 1 -26.651 3.950 0.307 1.00 0.00 H new ATOM 0 HA3 GLY B 1 -25.701 4.511 -1.054 1.00 0.00 H new ATOM 559 N SER B 2 -23.739 3.773 0.361 1.00 0.00 N ATOM 560 CA SER B 2 -22.486 3.584 1.073 1.00 0.00 C ATOM 561 C SER B 2 -21.292 3.849 0.160 1.00 0.00 C ATOM 562 O SER B 2 -20.178 3.407 0.432 1.00 0.00 O ATOM 563 CB SER B 2 -22.423 2.168 1.649 1.00 0.00 C ATOM 564 OG SER B 2 -22.741 1.201 0.662 1.00 0.00 O ATOM 0 H SER B 2 -23.823 3.233 -0.500 1.00 0.00 H new ATOM 0 HA SER B 2 -22.442 4.301 1.893 1.00 0.00 H new ATOM 0 HB2 SER B 2 -21.425 1.976 2.042 1.00 0.00 H new ATOM 0 HB3 SER B 2 -23.117 2.081 2.485 1.00 0.00 H new ATOM 0 HG SER B 2 -22.262 0.368 0.854 1.00 0.00 H new ATOM 570 N MET B 3 -21.527 4.595 -0.916 1.00 0.00 N ATOM 571 CA MET B 3 -20.479 4.890 -1.894 1.00 0.00 C ATOM 572 C MET B 3 -19.326 5.653 -1.250 1.00 0.00 C ATOM 573 O MET B 3 -18.171 5.505 -1.648 1.00 0.00 O ATOM 574 CB MET B 3 -21.048 5.688 -3.070 1.00 0.00 C ATOM 575 CG MET B 3 -21.767 4.850 -4.126 1.00 0.00 C ATOM 576 SD MET B 3 -23.165 3.897 -3.486 1.00 0.00 S ATOM 577 CE MET B 3 -22.374 2.343 -3.060 1.00 0.00 C ATOM 0 H MET B 3 -22.434 5.007 -1.135 1.00 0.00 H new ATOM 0 HA MET B 3 -20.095 3.941 -2.267 1.00 0.00 H new ATOM 0 HB2 MET B 3 -21.743 6.433 -2.683 1.00 0.00 H new ATOM 0 HB3 MET B 3 -20.234 6.231 -3.550 1.00 0.00 H new ATOM 0 HG2 MET B 3 -22.123 5.510 -4.918 1.00 0.00 H new ATOM 0 HG3 MET B 3 -21.051 4.165 -4.580 1.00 0.00 H new ATOM 0 HE1 MET B 3 -22.959 1.515 -3.461 1.00 0.00 H new ATOM 0 HE2 MET B 3 -21.370 2.317 -3.484 1.00 0.00 H new ATOM 0 HE3 MET B 3 -22.312 2.252 -1.976 1.00 0.00 H new ATOM 587 N LYS B 4 -19.645 6.438 -0.228 1.00 0.00 N ATOM 588 CA LYS B 4 -18.641 7.207 0.501 1.00 0.00 C ATOM 589 C LYS B 4 -17.866 6.311 1.459 1.00 0.00 C ATOM 590 O LYS B 4 -16.917 6.742 2.092 1.00 0.00 O ATOM 591 CB LYS B 4 -19.296 8.346 1.286 1.00 0.00 C ATOM 592 CG LYS B 4 -19.981 9.386 0.417 1.00 0.00 C ATOM 593 CD LYS B 4 -20.605 10.486 1.260 1.00 0.00 C ATOM 594 CE LYS B 4 -21.287 11.541 0.402 1.00 0.00 C ATOM 595 NZ LYS B 4 -22.389 10.974 -0.416 1.00 0.00 N ATOM 0 H LYS B 4 -20.597 6.560 0.117 1.00 0.00 H new ATOM 0 HA LYS B 4 -17.951 7.629 -0.229 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -20.028 7.924 1.974 1.00 0.00 H new ATOM 0 HB3 LYS B 4 -18.536 8.839 1.892 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -19.257 9.820 -0.273 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -20.751 8.907 -0.188 1.00 0.00 H new ATOM 0 HD2 LYS B 4 -21.332 10.050 1.945 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -19.834 10.957 1.870 1.00 0.00 H new ATOM 0 HE2 LYS B 4 -21.682 12.329 1.044 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -20.551 12.004 -0.255 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 -22.952 11.747 -0.824 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 -21.990 10.394 -1.182 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 -22.998 10.383 0.185 1.00 0.00 H new ATOM 609 N GLN B 5 -18.276 5.061 1.553 1.00 0.00 N ATOM 610 CA GLN B 5 -17.616 4.099 2.415 1.00 0.00 C ATOM 611 C GLN B 5 -16.686 3.242 1.586 1.00 0.00 C ATOM 612 O GLN B 5 -15.587 2.913 2.018 1.00 0.00 O ATOM 613 CB GLN B 5 -18.630 3.232 3.161 1.00 0.00 C ATOM 614 CG GLN B 5 -19.320 3.949 4.311 1.00 0.00 C ATOM 615 CD GLN B 5 -18.387 4.220 5.480 1.00 0.00 C ATOM 616 OE1 GLN B 5 -17.178 4.389 5.311 1.00 0.00 O ATOM 617 NE2 GLN B 5 -18.944 4.252 6.679 1.00 0.00 N ATOM 0 H GLN B 5 -19.072 4.685 1.037 1.00 0.00 H new ATOM 0 HA GLN B 5 -17.039 4.639 3.166 1.00 0.00 H new ATOM 0 HB2 GLN B 5 -19.385 2.884 2.456 1.00 0.00 H new ATOM 0 HB3 GLN B 5 -18.124 2.348 3.548 1.00 0.00 H new ATOM 0 HG2 GLN B 5 -19.729 4.893 3.952 1.00 0.00 H new ATOM 0 HG3 GLN B 5 -20.162 3.348 4.655 1.00 0.00 H new ATOM 0 HE21 GLN B 5 -19.949 4.108 6.779 1.00 0.00 H new ATOM 0 HE22 GLN B 5 -18.369 4.421 7.504 1.00 0.00 H new ATOM 626 N LEU B 6 -17.127 2.900 0.378 1.00 0.00 N ATOM 627 CA LEU B 6 -16.245 2.246 -0.577 1.00 0.00 C ATOM 628 C LEU B 6 -15.100 3.201 -0.849 1.00 0.00 C ATOM 629 O LEU B 6 -13.940 2.907 -0.578 1.00 0.00 O ATOM 630 CB LEU B 6 -16.947 1.943 -1.926 1.00 0.00 C ATOM 631 CG LEU B 6 -17.919 0.777 -1.975 1.00 0.00 C ATOM 632 CD1 LEU B 6 -19.249 1.186 -1.392 1.00 0.00 C ATOM 633 CD2 LEU B 6 -18.092 0.295 -3.406 1.00 0.00 C ATOM 0 H LEU B 6 -18.077 3.063 0.043 1.00 0.00 H new ATOM 0 HA LEU B 6 -15.919 1.296 -0.154 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -17.485 2.840 -2.232 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -16.173 1.765 -2.673 1.00 0.00 H new ATOM 0 HG LEU B 6 -17.515 -0.043 -1.381 1.00 0.00 H new ATOM 0 HD11 LEU B 6 -19.939 0.343 -1.432 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -19.113 1.494 -0.355 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -19.658 2.017 -1.967 1.00 0.00 H new ATOM 0 HD21 LEU B 6 -18.791 -0.541 -3.426 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -18.480 1.108 -4.019 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -17.128 -0.028 -3.800 1.00 0.00 H new ATOM 645 N GLU B 7 -15.466 4.390 -1.320 1.00 0.00 N ATOM 646 CA GLU B 7 -14.491 5.386 -1.726 1.00 0.00 C ATOM 647 C GLU B 7 -13.581 5.787 -0.574 1.00 0.00 C ATOM 648 O GLU B 7 -12.386 5.992 -0.774 1.00 0.00 O ATOM 649 CB GLU B 7 -15.189 6.620 -2.292 1.00 0.00 C ATOM 650 CG GLU B 7 -15.919 6.360 -3.598 1.00 0.00 C ATOM 651 CD GLU B 7 -16.662 7.580 -4.100 1.00 0.00 C ATOM 652 OE1 GLU B 7 -17.892 7.648 -3.905 1.00 0.00 O ATOM 653 OE2 GLU B 7 -16.009 8.472 -4.681 1.00 0.00 O ATOM 0 H GLU B 7 -16.437 4.684 -1.429 1.00 0.00 H new ATOM 0 HA GLU B 7 -13.872 4.936 -2.502 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -15.901 6.994 -1.556 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -14.450 7.405 -2.449 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -15.202 6.039 -4.354 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -16.624 5.541 -3.459 1.00 0.00 H new ATOM 660 N ASP B 8 -14.126 5.882 0.638 1.00 0.00 N ATOM 661 CA ASP B 8 -13.307 6.352 1.761 1.00 0.00 C ATOM 662 C ASP B 8 -12.374 5.271 2.291 1.00 0.00 C ATOM 663 O ASP B 8 -11.221 5.555 2.616 1.00 0.00 O ATOM 664 CB ASP B 8 -14.159 6.912 2.896 1.00 0.00 C ATOM 665 CG ASP B 8 -14.427 8.396 2.724 1.00 0.00 C ATOM 666 OD1 ASP B 8 -13.873 9.193 3.508 1.00 0.00 O ATOM 667 OD2 ASP B 8 -15.170 8.764 1.792 1.00 0.00 O ATOM 0 H ASP B 8 -15.093 5.651 0.866 1.00 0.00 H new ATOM 0 HA ASP B 8 -12.693 7.160 1.363 1.00 0.00 H new ATOM 0 HB2 ASP B 8 -15.106 6.375 2.938 1.00 0.00 H new ATOM 0 HB3 ASP B 8 -13.654 6.742 3.847 1.00 0.00 H new ATOM 672 N LYS B 9 -12.852 4.038 2.365 1.00 0.00 N ATOM 673 CA LYS B 9 -12.055 2.957 2.935 1.00 0.00 C ATOM 674 C LYS B 9 -10.971 2.490 1.963 1.00 0.00 C ATOM 675 O LYS B 9 -9.842 2.207 2.376 1.00 0.00 O ATOM 676 CB LYS B 9 -12.950 1.783 3.343 1.00 0.00 C ATOM 677 CG LYS B 9 -13.906 2.105 4.486 1.00 0.00 C ATOM 678 CD LYS B 9 -13.162 2.383 5.784 1.00 0.00 C ATOM 679 CE LYS B 9 -14.114 2.742 6.916 1.00 0.00 C ATOM 680 NZ LYS B 9 -14.829 4.023 6.664 1.00 0.00 N ATOM 0 H LYS B 9 -13.779 3.760 2.041 1.00 0.00 H new ATOM 0 HA LYS B 9 -11.561 3.345 3.826 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -13.529 1.462 2.477 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -12.320 0.943 3.635 1.00 0.00 H new ATOM 0 HG2 LYS B 9 -14.511 2.972 4.221 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -14.592 1.271 4.632 1.00 0.00 H new ATOM 0 HD2 LYS B 9 -12.579 1.505 6.064 1.00 0.00 H new ATOM 0 HD3 LYS B 9 -12.456 3.199 5.630 1.00 0.00 H new ATOM 0 HE2 LYS B 9 -14.842 1.941 7.044 1.00 0.00 H new ATOM 0 HE3 LYS B 9 -13.555 2.817 7.849 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 -15.162 4.418 7.567 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 -14.182 4.698 6.208 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 -15.643 3.849 6.041 1.00 0.00 H new ATOM 694 N VAL B 10 -11.302 2.424 0.676 1.00 0.00 N ATOM 695 CA VAL B 10 -10.338 1.986 -0.329 1.00 0.00 C ATOM 696 C VAL B 10 -9.212 3.007 -0.462 1.00 0.00 C ATOM 697 O VAL B 10 -8.034 2.661 -0.382 1.00 0.00 O ATOM 698 CB VAL B 10 -10.981 1.779 -1.720 1.00 0.00 C ATOM 699 CG1 VAL B 10 -9.978 1.181 -2.686 1.00 0.00 C ATOM 700 CG2 VAL B 10 -12.207 0.891 -1.649 1.00 0.00 C ATOM 0 H VAL B 10 -12.222 2.666 0.307 1.00 0.00 H new ATOM 0 HA VAL B 10 -9.950 1.027 0.014 1.00 0.00 H new ATOM 0 HB VAL B 10 -11.292 2.760 -2.078 1.00 0.00 H new ATOM 0 HG11 VAL B 10 -10.448 1.042 -3.659 1.00 0.00 H new ATOM 0 HG12 VAL B 10 -9.125 1.852 -2.787 1.00 0.00 H new ATOM 0 HG13 VAL B 10 -9.638 0.217 -2.307 1.00 0.00 H new ATOM 0 HG21 VAL B 10 -12.628 0.771 -2.647 1.00 0.00 H new ATOM 0 HG22 VAL B 10 -11.927 -0.085 -1.254 1.00 0.00 H new ATOM 0 HG23 VAL B 10 -12.950 1.348 -0.994 1.00 0.00 H new ATOM 710 N GLU B 11 -9.582 4.273 -0.633 1.00 0.00 N ATOM 711 CA GLU B 11 -8.600 5.339 -0.809 1.00 0.00 C ATOM 712 C GLU B 11 -7.817 5.585 0.482 1.00 0.00 C ATOM 713 O GLU B 11 -6.782 6.250 0.473 1.00 0.00 O ATOM 714 CB GLU B 11 -9.278 6.628 -1.275 1.00 0.00 C ATOM 715 CG GLU B 11 -9.893 6.521 -2.663 1.00 0.00 C ATOM 716 CD GLU B 11 -10.570 7.803 -3.107 1.00 0.00 C ATOM 717 OE1 GLU B 11 -9.874 8.678 -3.663 1.00 0.00 O ATOM 718 OE2 GLU B 11 -11.795 7.928 -2.906 1.00 0.00 O ATOM 0 H GLU B 11 -10.553 4.586 -0.653 1.00 0.00 H new ATOM 0 HA GLU B 11 -7.896 5.020 -1.578 1.00 0.00 H new ATOM 0 HB2 GLU B 11 -10.056 6.899 -0.561 1.00 0.00 H new ATOM 0 HB3 GLU B 11 -8.547 7.436 -1.271 1.00 0.00 H new ATOM 0 HG2 GLU B 11 -9.115 6.259 -3.381 1.00 0.00 H new ATOM 0 HG3 GLU B 11 -10.621 5.710 -2.671 1.00 0.00 H new ATOM 725 N GLU B 12 -8.309 5.035 1.584 1.00 0.00 N ATOM 726 CA GLU B 12 -7.587 5.082 2.845 1.00 0.00 C ATOM 727 C GLU B 12 -6.331 4.229 2.728 1.00 0.00 C ATOM 728 O GLU B 12 -5.236 4.655 3.094 1.00 0.00 O ATOM 729 CB GLU B 12 -8.472 4.580 3.990 1.00 0.00 C ATOM 730 CG GLU B 12 -7.816 4.653 5.361 1.00 0.00 C ATOM 731 CD GLU B 12 -7.493 6.073 5.784 1.00 0.00 C ATOM 732 OE1 GLU B 12 -6.352 6.520 5.537 1.00 0.00 O ATOM 733 OE2 GLU B 12 -8.378 6.736 6.363 1.00 0.00 O ATOM 0 H GLU B 12 -9.206 4.551 1.629 1.00 0.00 H new ATOM 0 HA GLU B 12 -7.308 6.112 3.065 1.00 0.00 H new ATOM 0 HB2 GLU B 12 -9.391 5.165 4.008 1.00 0.00 H new ATOM 0 HB3 GLU B 12 -8.756 3.547 3.789 1.00 0.00 H new ATOM 0 HG2 GLU B 12 -8.478 4.200 6.100 1.00 0.00 H new ATOM 0 HG3 GLU B 12 -6.899 4.064 5.351 1.00 0.00 H new ATOM 740 N LEU B 13 -6.492 3.028 2.182 1.00 0.00 N ATOM 741 CA LEU B 13 -5.351 2.163 1.919 1.00 0.00 C ATOM 742 C LEU B 13 -4.561 2.673 0.721 1.00 0.00 C ATOM 743 O LEU B 13 -3.375 2.389 0.585 1.00 0.00 O ATOM 744 CB LEU B 13 -5.795 0.720 1.682 1.00 0.00 C ATOM 745 CG LEU B 13 -6.331 -0.004 2.917 1.00 0.00 C ATOM 746 CD1 LEU B 13 -6.698 -1.433 2.571 1.00 0.00 C ATOM 747 CD2 LEU B 13 -5.306 0.013 4.039 1.00 0.00 C ATOM 0 H LEU B 13 -7.395 2.635 1.915 1.00 0.00 H new ATOM 0 HA LEU B 13 -4.708 2.181 2.799 1.00 0.00 H new ATOM 0 HB2 LEU B 13 -6.568 0.715 0.913 1.00 0.00 H new ATOM 0 HB3 LEU B 13 -4.950 0.156 1.288 1.00 0.00 H new ATOM 0 HG LEU B 13 -7.225 0.519 3.257 1.00 0.00 H new ATOM 0 HD11 LEU B 13 -7.078 -1.936 3.460 1.00 0.00 H new ATOM 0 HD12 LEU B 13 -7.466 -1.434 1.797 1.00 0.00 H new ATOM 0 HD13 LEU B 13 -5.815 -1.958 2.207 1.00 0.00 H new ATOM 0 HD21 LEU B 13 -5.709 -0.508 4.908 1.00 0.00 H new ATOM 0 HD22 LEU B 13 -4.395 -0.485 3.707 1.00 0.00 H new ATOM 0 HD23 LEU B 13 -5.078 1.044 4.308 1.00 0.00 H new ATOM 759 N LEU B 14 -5.230 3.423 -0.146 1.00 0.00 N ATOM 760 CA LEU B 14 -4.568 4.089 -1.263 1.00 0.00 C ATOM 761 C LEU B 14 -3.583 5.121 -0.733 1.00 0.00 C ATOM 762 O LEU B 14 -2.534 5.367 -1.325 1.00 0.00 O ATOM 763 CB LEU B 14 -5.604 4.782 -2.147 1.00 0.00 C ATOM 764 CG LEU B 14 -5.088 5.293 -3.493 1.00 0.00 C ATOM 765 CD1 LEU B 14 -4.726 4.133 -4.404 1.00 0.00 C ATOM 766 CD2 LEU B 14 -6.128 6.183 -4.153 1.00 0.00 C ATOM 0 H LEU B 14 -6.236 3.586 -0.097 1.00 0.00 H new ATOM 0 HA LEU B 14 -4.034 3.344 -1.853 1.00 0.00 H new ATOM 0 HB2 LEU B 14 -6.422 4.085 -2.332 1.00 0.00 H new ATOM 0 HB3 LEU B 14 -6.022 5.624 -1.595 1.00 0.00 H new ATOM 0 HG LEU B 14 -4.188 5.882 -3.316 1.00 0.00 H new ATOM 0 HD11 LEU B 14 -4.361 4.518 -5.356 1.00 0.00 H new ATOM 0 HD12 LEU B 14 -3.948 3.531 -3.934 1.00 0.00 H new ATOM 0 HD13 LEU B 14 -5.608 3.516 -4.576 1.00 0.00 H new ATOM 0 HD21 LEU B 14 -5.747 6.540 -5.110 1.00 0.00 H new ATOM 0 HD22 LEU B 14 -7.043 5.614 -4.316 1.00 0.00 H new ATOM 0 HD23 LEU B 14 -6.341 7.035 -3.507 1.00 0.00 H new ATOM 778 N SER B 15 -3.938 5.712 0.397 1.00 0.00 N ATOM 779 CA SER B 15 -3.102 6.698 1.051 1.00 0.00 C ATOM 780 C SER B 15 -1.894 6.012 1.673 1.00 0.00 C ATOM 781 O SER B 15 -0.795 6.566 1.691 1.00 0.00 O ATOM 782 CB SER B 15 -3.904 7.450 2.113 1.00 0.00 C ATOM 783 OG SER B 15 -5.058 8.059 1.549 1.00 0.00 O ATOM 0 H SER B 15 -4.814 5.520 0.884 1.00 0.00 H new ATOM 0 HA SER B 15 -2.754 7.421 0.314 1.00 0.00 H new ATOM 0 HB2 SER B 15 -4.202 6.761 2.903 1.00 0.00 H new ATOM 0 HB3 SER B 15 -3.276 8.212 2.575 1.00 0.00 H new ATOM 0 HG SER B 15 -5.707 7.367 1.305 1.00 0.00 H new ATOM 789 N LYS B 16 -2.098 4.795 2.176 1.00 0.00 N ATOM 790 CA LYS B 16 -0.978 3.999 2.638 1.00 0.00 C ATOM 791 C LYS B 16 -0.107 3.590 1.471 1.00 0.00 C ATOM 792 O LYS B 16 1.090 3.741 1.545 1.00 0.00 O ATOM 793 CB LYS B 16 -1.395 2.750 3.400 1.00 0.00 C ATOM 794 CG LYS B 16 -1.369 2.906 4.911 1.00 0.00 C ATOM 795 CD LYS B 16 -0.722 1.695 5.574 1.00 0.00 C ATOM 796 CE LYS B 16 -1.545 0.431 5.375 1.00 0.00 C ATOM 797 NZ LYS B 16 -2.769 0.434 6.217 1.00 0.00 N ATOM 0 H LYS B 16 -3.012 4.352 2.270 1.00 0.00 H new ATOM 0 HA LYS B 16 -0.426 4.635 3.329 1.00 0.00 H new ATOM 0 HB2 LYS B 16 -2.402 2.469 3.092 1.00 0.00 H new ATOM 0 HB3 LYS B 16 -0.735 1.929 3.119 1.00 0.00 H new ATOM 0 HG2 LYS B 16 -0.819 3.808 5.178 1.00 0.00 H new ATOM 0 HG3 LYS B 16 -2.385 3.030 5.285 1.00 0.00 H new ATOM 0 HD2 LYS B 16 0.276 1.546 5.163 1.00 0.00 H new ATOM 0 HD3 LYS B 16 -0.602 1.886 6.640 1.00 0.00 H new ATOM 0 HE2 LYS B 16 -1.825 0.341 4.326 1.00 0.00 H new ATOM 0 HE3 LYS B 16 -0.938 -0.441 5.619 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 -3.278 -0.464 6.093 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 -2.503 0.546 7.216 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 -3.384 1.223 5.932 1.00 0.00 H new ATOM 811 N ASN B 17 -0.708 3.077 0.396 1.00 0.00 N ATOM 812 CA ASN B 17 0.055 2.736 -0.811 1.00 0.00 C ATOM 813 C ASN B 17 0.862 3.936 -1.262 1.00 0.00 C ATOM 814 O ASN B 17 1.988 3.793 -1.724 1.00 0.00 O ATOM 815 CB ASN B 17 -0.861 2.294 -1.961 1.00 0.00 C ATOM 816 CG ASN B 17 -1.316 0.855 -1.849 1.00 0.00 C ATOM 817 OD1 ASN B 17 -0.611 -0.061 -2.258 1.00 0.00 O ATOM 818 ND2 ASN B 17 -2.512 0.645 -1.330 1.00 0.00 N ATOM 0 H ASN B 17 -1.709 2.889 0.334 1.00 0.00 H new ATOM 0 HA ASN B 17 0.713 1.905 -0.558 1.00 0.00 H new ATOM 0 HB2 ASN B 17 -1.736 2.943 -1.988 1.00 0.00 H new ATOM 0 HB3 ASN B 17 -0.335 2.428 -2.906 1.00 0.00 H new ATOM 0 HD21 ASN B 17 -2.878 -0.305 -1.259 1.00 0.00 H new ATOM 0 HD22 ASN B 17 -3.070 1.432 -1.000 1.00 0.00 H new ATOM 825 N TYR B 18 0.284 5.124 -1.117 1.00 0.00 N ATOM 826 CA TYR B 18 0.999 6.351 -1.437 1.00 0.00 C ATOM 827 C TYR B 18 2.236 6.493 -0.548 1.00 0.00 C ATOM 828 O TYR B 18 3.362 6.548 -1.041 1.00 0.00 O ATOM 829 CB TYR B 18 0.074 7.560 -1.272 1.00 0.00 C ATOM 830 CG TYR B 18 0.739 8.891 -1.554 1.00 0.00 C ATOM 831 CD1 TYR B 18 1.228 9.192 -2.819 1.00 0.00 C ATOM 832 CD2 TYR B 18 0.865 9.849 -0.556 1.00 0.00 C ATOM 833 CE1 TYR B 18 1.828 10.409 -3.079 1.00 0.00 C ATOM 834 CE2 TYR B 18 1.464 11.067 -0.810 1.00 0.00 C ATOM 835 CZ TYR B 18 1.943 11.343 -2.073 1.00 0.00 C ATOM 836 OH TYR B 18 2.536 12.561 -2.329 1.00 0.00 O ATOM 0 H TYR B 18 -0.670 5.261 -0.783 1.00 0.00 H new ATOM 0 HA TYR B 18 1.327 6.306 -2.476 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -0.780 7.444 -1.939 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -0.316 7.569 -0.254 1.00 0.00 H new ATOM 0 HD1 TYR B 18 1.138 8.464 -3.611 1.00 0.00 H new ATOM 0 HD2 TYR B 18 0.489 9.638 0.434 1.00 0.00 H new ATOM 0 HE1 TYR B 18 2.205 10.627 -4.067 1.00 0.00 H new ATOM 0 HE2 TYR B 18 1.557 11.800 -0.023 1.00 0.00 H new ATOM 0 HH TYR B 18 2.536 13.103 -1.513 1.00 0.00 H new ATOM 846 N HIS B 19 2.019 6.508 0.761 1.00 0.00 N ATOM 847 CA HIS B 19 3.101 6.712 1.721 1.00 0.00 C ATOM 848 C HIS B 19 4.064 5.522 1.740 1.00 0.00 C ATOM 849 O HIS B 19 5.275 5.695 1.868 1.00 0.00 O ATOM 850 CB HIS B 19 2.519 6.947 3.120 1.00 0.00 C ATOM 851 CG HIS B 19 3.531 7.371 4.141 1.00 0.00 C ATOM 852 ND1 HIS B 19 3.931 8.677 4.304 1.00 0.00 N ATOM 853 CD2 HIS B 19 4.216 6.656 5.064 1.00 0.00 C ATOM 854 CE1 HIS B 19 4.816 8.748 5.280 1.00 0.00 C ATOM 855 NE2 HIS B 19 5.006 7.536 5.757 1.00 0.00 N ATOM 0 H HIS B 19 1.100 6.381 1.185 1.00 0.00 H new ATOM 0 HA HIS B 19 3.667 7.591 1.413 1.00 0.00 H new ATOM 0 HB2 HIS B 19 1.743 7.709 3.055 1.00 0.00 H new ATOM 0 HB3 HIS B 19 2.038 6.030 3.460 1.00 0.00 H new ATOM 0 HD2 HIS B 19 4.152 5.590 5.225 1.00 0.00 H new ATOM 0 HE1 HIS B 19 5.302 9.647 5.628 1.00 0.00 H new ATOM 0 HE2 HIS B 19 5.639 7.291 6.519 1.00 0.00 H new ATOM 864 N LEU B 20 3.522 4.320 1.611 1.00 0.00 N ATOM 865 CA LEU B 20 4.298 3.110 1.626 1.00 0.00 C ATOM 866 C LEU B 20 5.172 3.010 0.369 1.00 0.00 C ATOM 867 O LEU B 20 6.297 2.517 0.427 1.00 0.00 O ATOM 868 CB LEU B 20 3.334 1.919 1.766 1.00 0.00 C ATOM 869 CG LEU B 20 3.978 0.563 1.737 1.00 0.00 C ATOM 870 CD1 LEU B 20 5.079 0.471 2.761 1.00 0.00 C ATOM 871 CD2 LEU B 20 2.967 -0.540 1.970 1.00 0.00 C ATOM 0 H LEU B 20 2.521 4.166 1.492 1.00 0.00 H new ATOM 0 HA LEU B 20 4.983 3.107 2.474 1.00 0.00 H new ATOM 0 HB2 LEU B 20 2.788 2.023 2.704 1.00 0.00 H new ATOM 0 HB3 LEU B 20 2.600 1.971 0.962 1.00 0.00 H new ATOM 0 HG LEU B 20 4.404 0.430 0.743 1.00 0.00 H new ATOM 0 HD11 LEU B 20 5.531 -0.520 2.721 1.00 0.00 H new ATOM 0 HD12 LEU B 20 5.838 1.224 2.548 1.00 0.00 H new ATOM 0 HD13 LEU B 20 4.666 0.642 3.755 1.00 0.00 H new ATOM 0 HD21 LEU B 20 3.470 -1.507 1.942 1.00 0.00 H new ATOM 0 HD22 LEU B 20 2.498 -0.403 2.944 1.00 0.00 H new ATOM 0 HD23 LEU B 20 2.205 -0.505 1.192 1.00 0.00 H new ATOM 883 N GLU B 21 4.671 3.516 -0.759 1.00 0.00 N ATOM 884 CA GLU B 21 5.456 3.561 -1.987 1.00 0.00 C ATOM 885 C GLU B 21 6.485 4.685 -1.895 1.00 0.00 C ATOM 886 O GLU B 21 7.583 4.575 -2.438 1.00 0.00 O ATOM 887 CB GLU B 21 4.545 3.751 -3.210 1.00 0.00 C ATOM 888 CG GLU B 21 5.092 3.161 -4.508 1.00 0.00 C ATOM 889 CD GLU B 21 6.314 3.886 -5.039 1.00 0.00 C ATOM 890 OE1 GLU B 21 6.158 5.014 -5.549 1.00 0.00 O ATOM 891 OE2 GLU B 21 7.425 3.320 -4.954 1.00 0.00 O ATOM 0 H GLU B 21 3.729 3.898 -0.845 1.00 0.00 H new ATOM 0 HA GLU B 21 5.979 2.612 -2.109 1.00 0.00 H new ATOM 0 HB2 GLU B 21 3.577 3.297 -2.999 1.00 0.00 H new ATOM 0 HB3 GLU B 21 4.372 4.817 -3.356 1.00 0.00 H new ATOM 0 HG2 GLU B 21 5.345 2.114 -4.343 1.00 0.00 H new ATOM 0 HG3 GLU B 21 4.309 3.184 -5.266 1.00 0.00 H new ATOM 898 N ASN B 22 6.131 5.765 -1.206 1.00 0.00 N ATOM 899 CA ASN B 22 7.085 6.836 -0.928 1.00 0.00 C ATOM 900 C ASN B 22 8.222 6.297 -0.072 1.00 0.00 C ATOM 901 O ASN B 22 9.384 6.673 -0.244 1.00 0.00 O ATOM 902 CB ASN B 22 6.418 8.018 -0.212 1.00 0.00 C ATOM 903 CG ASN B 22 5.465 8.805 -1.094 1.00 0.00 C ATOM 904 OD1 ASN B 22 5.741 8.856 -2.388 1.00 0.00 O flip ATOM 905 ND2 ASN B 22 4.488 9.376 -0.609 1.00 0.00 N flip ATOM 0 H ASN B 22 5.196 5.923 -0.831 1.00 0.00 H new ATOM 0 HA ASN B 22 7.472 7.196 -1.881 1.00 0.00 H new ATOM 0 HB2 ASN B 22 5.873 7.646 0.655 1.00 0.00 H new ATOM 0 HB3 ASN B 22 7.192 8.689 0.162 1.00 0.00 H new ATOM 0 HD21 ASN B 22 4.307 9.315 0.393 1.00 0.00 H new ATOM 0 HD22 ASN B 22 3.860 9.910 -1.209 1.00 0.00 H new ATOM 912 N GLU B 23 7.874 5.407 0.850 1.00 0.00 N ATOM 913 CA GLU B 23 8.860 4.741 1.686 1.00 0.00 C ATOM 914 C GLU B 23 9.721 3.805 0.839 1.00 0.00 C ATOM 915 O GLU B 23 10.931 3.700 1.046 1.00 0.00 O ATOM 916 CB GLU B 23 8.162 3.968 2.809 1.00 0.00 C ATOM 917 CG GLU B 23 9.117 3.321 3.799 1.00 0.00 C ATOM 918 CD GLU B 23 8.395 2.651 4.950 1.00 0.00 C ATOM 919 OE1 GLU B 23 8.342 3.247 6.045 1.00 0.00 O ATOM 920 OE2 GLU B 23 7.875 1.533 4.754 1.00 0.00 O ATOM 0 H GLU B 23 6.910 5.130 1.037 1.00 0.00 H new ATOM 0 HA GLU B 23 9.509 5.492 2.137 1.00 0.00 H new ATOM 0 HB2 GLU B 23 7.501 4.647 3.348 1.00 0.00 H new ATOM 0 HB3 GLU B 23 7.533 3.195 2.368 1.00 0.00 H new ATOM 0 HG2 GLU B 23 9.729 2.583 3.280 1.00 0.00 H new ATOM 0 HG3 GLU B 23 9.796 4.078 4.192 1.00 0.00 H new ATOM 927 N VAL B 24 9.087 3.137 -0.124 1.00 0.00 N ATOM 928 CA VAL B 24 9.805 2.287 -1.065 1.00 0.00 C ATOM 929 C VAL B 24 10.817 3.104 -1.866 1.00 0.00 C ATOM 930 O VAL B 24 11.979 2.721 -1.986 1.00 0.00 O ATOM 931 CB VAL B 24 8.848 1.566 -2.046 1.00 0.00 C ATOM 932 CG1 VAL B 24 9.626 0.894 -3.164 1.00 0.00 C ATOM 933 CG2 VAL B 24 8.028 0.532 -1.321 1.00 0.00 C ATOM 0 H VAL B 24 8.078 3.170 -0.271 1.00 0.00 H new ATOM 0 HA VAL B 24 10.323 1.533 -0.473 1.00 0.00 H new ATOM 0 HB VAL B 24 8.185 2.317 -2.475 1.00 0.00 H new ATOM 0 HG11 VAL B 24 8.933 0.394 -3.840 1.00 0.00 H new ATOM 0 HG12 VAL B 24 10.193 1.645 -3.715 1.00 0.00 H new ATOM 0 HG13 VAL B 24 10.312 0.160 -2.740 1.00 0.00 H new ATOM 0 HG21 VAL B 24 7.362 0.036 -2.027 1.00 0.00 H new ATOM 0 HG22 VAL B 24 8.690 -0.205 -0.868 1.00 0.00 H new ATOM 0 HG23 VAL B 24 7.437 1.016 -0.543 1.00 0.00 H new ATOM 943 N ALA B 25 10.368 4.235 -2.400 1.00 0.00 N ATOM 944 CA ALA B 25 11.224 5.101 -3.202 1.00 0.00 C ATOM 945 C ALA B 25 12.419 5.587 -2.391 1.00 0.00 C ATOM 946 O ALA B 25 13.537 5.678 -2.902 1.00 0.00 O ATOM 947 CB ALA B 25 10.427 6.283 -3.735 1.00 0.00 C ATOM 0 H ALA B 25 9.412 4.574 -2.291 1.00 0.00 H new ATOM 0 HA ALA B 25 11.600 4.523 -4.046 1.00 0.00 H new ATOM 0 HB1 ALA B 25 11.078 6.921 -4.332 1.00 0.00 H new ATOM 0 HB2 ALA B 25 9.608 5.919 -4.355 1.00 0.00 H new ATOM 0 HB3 ALA B 25 10.023 6.856 -2.900 1.00 0.00 H new ATOM 953 N ARG B 26 12.173 5.892 -1.122 1.00 0.00 N ATOM 954 CA ARG B 26 13.232 6.282 -0.202 1.00 0.00 C ATOM 955 C ARG B 26 14.288 5.189 -0.125 1.00 0.00 C ATOM 956 O ARG B 26 15.469 5.435 -0.376 1.00 0.00 O ATOM 957 CB ARG B 26 12.649 6.545 1.189 1.00 0.00 C ATOM 958 CG ARG B 26 13.686 6.950 2.224 1.00 0.00 C ATOM 959 CD ARG B 26 13.049 7.189 3.582 1.00 0.00 C ATOM 960 NE ARG B 26 12.020 8.229 3.528 1.00 0.00 N ATOM 961 CZ ARG B 26 11.254 8.575 4.560 1.00 0.00 C ATOM 962 NH1 ARG B 26 11.403 7.975 5.736 1.00 0.00 N ATOM 963 NH2 ARG B 26 10.337 9.521 4.413 1.00 0.00 N ATOM 0 H ARG B 26 11.242 5.876 -0.706 1.00 0.00 H new ATOM 0 HA ARG B 26 13.697 7.197 -0.570 1.00 0.00 H new ATOM 0 HB2 ARG B 26 11.898 7.331 1.115 1.00 0.00 H new ATOM 0 HB3 ARG B 26 12.137 5.646 1.534 1.00 0.00 H new ATOM 0 HG2 ARG B 26 14.443 6.170 2.308 1.00 0.00 H new ATOM 0 HG3 ARG B 26 14.196 7.855 1.895 1.00 0.00 H new ATOM 0 HD2 ARG B 26 12.608 6.260 3.944 1.00 0.00 H new ATOM 0 HD3 ARG B 26 13.819 7.477 4.298 1.00 0.00 H new ATOM 0 HE ARG B 26 11.881 8.719 2.644 1.00 0.00 H new ATOM 0 HH11 ARG B 26 12.107 7.246 5.851 1.00 0.00 H new ATOM 0 HH12 ARG B 26 10.814 8.244 6.524 1.00 0.00 H new ATOM 0 HH21 ARG B 26 10.220 9.982 3.511 1.00 0.00 H new ATOM 0 HH22 ARG B 26 9.749 9.788 5.202 1.00 0.00 H new ATOM 977 N LEU B 27 13.843 3.983 0.194 1.00 0.00 N ATOM 978 CA LEU B 27 14.733 2.836 0.318 1.00 0.00 C ATOM 979 C LEU B 27 15.430 2.528 -1.002 1.00 0.00 C ATOM 980 O LEU B 27 16.607 2.176 -1.024 1.00 0.00 O ATOM 981 CB LEU B 27 13.955 1.603 0.770 1.00 0.00 C ATOM 982 CG LEU B 27 13.782 1.402 2.284 1.00 0.00 C ATOM 983 CD1 LEU B 27 13.375 2.690 2.982 1.00 0.00 C ATOM 984 CD2 LEU B 27 12.747 0.323 2.547 1.00 0.00 C ATOM 0 H LEU B 27 12.861 3.771 0.373 1.00 0.00 H new ATOM 0 HA LEU B 27 15.487 3.089 1.063 1.00 0.00 H new ATOM 0 HB2 LEU B 27 12.964 1.644 0.318 1.00 0.00 H new ATOM 0 HB3 LEU B 27 14.453 0.722 0.366 1.00 0.00 H new ATOM 0 HG LEU B 27 14.746 1.094 2.690 1.00 0.00 H new ATOM 0 HD11 LEU B 27 13.263 2.505 4.050 1.00 0.00 H new ATOM 0 HD12 LEU B 27 14.142 3.448 2.823 1.00 0.00 H new ATOM 0 HD13 LEU B 27 12.428 3.042 2.573 1.00 0.00 H new ATOM 0 HD21 LEU B 27 12.630 0.186 3.622 1.00 0.00 H new ATOM 0 HD22 LEU B 27 11.793 0.621 2.113 1.00 0.00 H new ATOM 0 HD23 LEU B 27 13.075 -0.613 2.095 1.00 0.00 H new ATOM 996 N LYS B 28 14.696 2.661 -2.100 1.00 0.00 N ATOM 997 CA LYS B 28 15.230 2.371 -3.424 1.00 0.00 C ATOM 998 C LYS B 28 16.451 3.240 -3.717 1.00 0.00 C ATOM 999 O LYS B 28 17.470 2.750 -4.201 1.00 0.00 O ATOM 1000 CB LYS B 28 14.153 2.589 -4.492 1.00 0.00 C ATOM 1001 CG LYS B 28 14.628 2.315 -5.912 1.00 0.00 C ATOM 1002 CD LYS B 28 15.095 0.878 -6.091 1.00 0.00 C ATOM 1003 CE LYS B 28 13.948 -0.111 -5.972 1.00 0.00 C ATOM 1004 NZ LYS B 28 14.399 -1.509 -6.204 1.00 0.00 N ATOM 0 H LYS B 28 13.724 2.970 -2.099 1.00 0.00 H new ATOM 0 HA LYS B 28 15.540 1.326 -3.447 1.00 0.00 H new ATOM 0 HB2 LYS B 28 13.302 1.944 -4.273 1.00 0.00 H new ATOM 0 HB3 LYS B 28 13.797 3.617 -4.430 1.00 0.00 H new ATOM 0 HG2 LYS B 28 13.818 2.522 -6.611 1.00 0.00 H new ATOM 0 HG3 LYS B 28 15.444 2.994 -6.159 1.00 0.00 H new ATOM 0 HD2 LYS B 28 15.568 0.769 -7.067 1.00 0.00 H new ATOM 0 HD3 LYS B 28 15.853 0.647 -5.342 1.00 0.00 H new ATOM 0 HE2 LYS B 28 13.502 -0.033 -4.981 1.00 0.00 H new ATOM 0 HE3 LYS B 28 13.171 0.145 -6.692 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 13.589 -2.155 -6.114 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 14.802 -1.590 -7.159 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 15.122 -1.762 -5.501 1.00 0.00 H new ATOM 1018 N LYS B 29 16.354 4.525 -3.396 1.00 0.00 N ATOM 1019 CA LYS B 29 17.457 5.453 -3.620 1.00 0.00 C ATOM 1020 C LYS B 29 18.567 5.230 -2.595 1.00 0.00 C ATOM 1021 O LYS B 29 19.700 5.676 -2.780 1.00 0.00 O ATOM 1022 CB LYS B 29 16.966 6.899 -3.554 1.00 0.00 C ATOM 1023 CG LYS B 29 15.887 7.226 -4.576 1.00 0.00 C ATOM 1024 CD LYS B 29 15.536 8.707 -4.565 1.00 0.00 C ATOM 1025 CE LYS B 29 15.016 9.156 -3.209 1.00 0.00 C ATOM 1026 NZ LYS B 29 14.702 10.609 -3.189 1.00 0.00 N ATOM 0 H LYS B 29 15.524 4.948 -2.980 1.00 0.00 H new ATOM 0 HA LYS B 29 17.859 5.265 -4.616 1.00 0.00 H new ATOM 0 HB2 LYS B 29 16.579 7.097 -2.554 1.00 0.00 H new ATOM 0 HB3 LYS B 29 17.813 7.568 -3.706 1.00 0.00 H new ATOM 0 HG2 LYS B 29 16.228 6.940 -5.571 1.00 0.00 H new ATOM 0 HG3 LYS B 29 14.994 6.638 -4.364 1.00 0.00 H new ATOM 0 HD2 LYS B 29 16.418 9.291 -4.827 1.00 0.00 H new ATOM 0 HD3 LYS B 29 14.783 8.907 -5.327 1.00 0.00 H new ATOM 0 HE2 LYS B 29 14.121 8.588 -2.957 1.00 0.00 H new ATOM 0 HE3 LYS B 29 15.760 8.935 -2.444 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 14.350 10.875 -2.247 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 15.562 11.153 -3.404 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 13.974 10.817 -3.902 1.00 0.00 H new ATOM 1040 N LEU B 30 18.238 4.521 -1.525 1.00 0.00 N ATOM 1041 CA LEU B 30 19.203 4.223 -0.477 1.00 0.00 C ATOM 1042 C LEU B 30 19.993 2.969 -0.827 1.00 0.00 C ATOM 1043 O LEU B 30 21.173 2.857 -0.496 1.00 0.00 O ATOM 1044 CB LEU B 30 18.504 4.072 0.872 1.00 0.00 C ATOM 1045 CG LEU B 30 17.935 5.372 1.448 1.00 0.00 C ATOM 1046 CD1 LEU B 30 16.981 5.073 2.581 1.00 0.00 C ATOM 1047 CD2 LEU B 30 19.048 6.291 1.934 1.00 0.00 C ATOM 0 H LEU B 30 17.306 4.140 -1.360 1.00 0.00 H new ATOM 0 HA LEU B 30 19.902 5.056 -0.400 1.00 0.00 H new ATOM 0 HB2 LEU B 30 17.693 3.352 0.767 1.00 0.00 H new ATOM 0 HB3 LEU B 30 19.212 3.653 1.587 1.00 0.00 H new ATOM 0 HG LEU B 30 17.393 5.882 0.651 1.00 0.00 H new ATOM 0 HD11 LEU B 30 16.585 6.007 2.980 1.00 0.00 H new ATOM 0 HD12 LEU B 30 16.159 4.459 2.212 1.00 0.00 H new ATOM 0 HD13 LEU B 30 17.509 4.537 3.370 1.00 0.00 H new ATOM 0 HD21 LEU B 30 18.614 7.206 2.338 1.00 0.00 H new ATOM 0 HD22 LEU B 30 19.622 5.788 2.712 1.00 0.00 H new ATOM 0 HD23 LEU B 30 19.706 6.538 1.101 1.00 0.00 H new ATOM 1059 N VAL B 31 19.342 2.025 -1.499 1.00 0.00 N ATOM 1060 CA VAL B 31 20.042 0.874 -2.060 1.00 0.00 C ATOM 1061 C VAL B 31 20.791 1.316 -3.310 1.00 0.00 C ATOM 1062 O VAL B 31 21.848 0.786 -3.653 1.00 0.00 O ATOM 1063 CB VAL B 31 19.071 -0.272 -2.437 1.00 0.00 C ATOM 1064 CG1 VAL B 31 19.836 -1.497 -2.916 1.00 0.00 C ATOM 1065 CG2 VAL B 31 18.171 -0.636 -1.268 1.00 0.00 C ATOM 0 H VAL B 31 18.336 2.033 -1.668 1.00 0.00 H new ATOM 0 HA VAL B 31 20.728 0.496 -1.302 1.00 0.00 H new ATOM 0 HB VAL B 31 18.442 0.084 -3.253 1.00 0.00 H new ATOM 0 HG11 VAL B 31 19.132 -2.288 -3.175 1.00 0.00 H new ATOM 0 HG12 VAL B 31 20.427 -1.236 -3.794 1.00 0.00 H new ATOM 0 HG13 VAL B 31 20.498 -1.846 -2.123 1.00 0.00 H new ATOM 0 HG21 VAL B 31 17.500 -1.443 -1.563 1.00 0.00 H new ATOM 0 HG22 VAL B 31 18.782 -0.961 -0.426 1.00 0.00 H new ATOM 0 HG23 VAL B 31 17.584 0.235 -0.976 1.00 0.00 H new ATOM 1075 N GLY B 32 20.234 2.324 -3.966 1.00 0.00 N ATOM 1076 CA GLY B 32 20.830 2.867 -5.163 1.00 0.00 C ATOM 1077 C GLY B 32 22.090 3.654 -4.875 1.00 0.00 C ATOM 1078 O GLY B 32 23.164 3.300 -5.356 1.00 0.00 O ATOM 0 H GLY B 32 19.366 2.779 -3.682 1.00 0.00 H new ATOM 0 HA2 GLY B 32 21.062 2.054 -5.851 1.00 0.00 H new ATOM 0 HA3 GLY B 32 20.109 3.512 -5.664 1.00 0.00 H new ATOM 1082 N GLU B 33 21.948 4.706 -4.071 1.00 0.00 N ATOM 1083 CA GLU B 33 23.050 5.606 -3.744 1.00 0.00 C ATOM 1084 C GLU B 33 23.573 6.290 -5.003 1.00 0.00 C ATOM 1085 O GLU B 33 24.650 5.902 -5.497 1.00 0.00 O ATOM 1086 CB GLU B 33 24.181 4.856 -3.027 1.00 0.00 C ATOM 1087 CG GLU B 33 23.771 4.259 -1.690 1.00 0.00 C ATOM 1088 CD GLU B 33 23.339 5.312 -0.689 1.00 0.00 C ATOM 1089 OE1 GLU B 33 22.137 5.647 -0.659 1.00 0.00 O ATOM 1090 OE2 GLU B 33 24.205 5.801 0.062 1.00 0.00 O ATOM 1091 OXT GLU B 33 22.878 7.198 -5.514 1.00 0.00 O ATOM 0 H GLU B 33 21.064 4.958 -3.628 1.00 0.00 H new ATOM 0 HA GLU B 33 22.672 6.371 -3.066 1.00 0.00 H new ATOM 0 HB2 GLU B 33 24.543 4.058 -3.675 1.00 0.00 H new ATOM 0 HB3 GLU B 33 25.015 5.540 -2.868 1.00 0.00 H new ATOM 0 HG2 GLU B 33 22.954 3.555 -1.846 1.00 0.00 H new ATOM 0 HG3 GLU B 33 24.606 3.692 -1.278 1.00 0.00 H new TER 1098 GLU B 33