USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 678 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 29 SER OG : rot -49:sc= 0.328 USER MOD Set 1.2: A 30 HIS :FLIP no HE2:sc= -6.08! C(o=-7.7!,f=-5.7!) USER MOD Set 2.1: A 28 TYR OH : rot 30:sc= 0.77 USER MOD Set 2.2: A 32 LYS NZ :NH3+ -125:sc= 1.76 (180deg=0.374) USER MOD Single : A 7 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0157) USER MOD Single : A 13 LYS NZ :NH3+ -160:sc= -0.0185 (180deg=-0.331) USER MOD Single : A 14 HIS : no HE2:sc= 0.263! C(o=0.26!,f=-5.2!) USER MOD Single : A 16 LYS NZ :NH3+ -127:sc= 1.25 (180deg=-0.789) USER MOD Single : A 17 THR OG1 : rot 9:sc= 1.11 USER MOD Single : A 18 LYS NZ :NH3+ -156:sc= -0.113 (180deg=-1.07) USER MOD Single : A 24 MET CE :methyl -179:sc= 0 (180deg=-0.0305) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN :FLIP amide:sc= -4.75! C(o=-6.1!,f=-4.8!) USER MOD Single : A 35 THR OG1 : rot -84:sc= 0.746 USER MOD Single : A 40 ASN : amide:sc= 0.52 K(o=0.52,f=-4.8!) USER MOD Single : A 41 THR OG1 : rot -133:sc= 0.965 USER MOD Single : A 46 MET CE :methyl 167:sc= 0 (180deg=-0.188) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -172:sc= 1.63 (180deg=1.37) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -0.26 K(o=-0.26,f=-2.5!) USER MOD Single : A 62 LYS NZ :NH3+ -111:sc= 0.899 (180deg=-4.05!) USER MOD Single : A 64 THR OG1 : rot 87:sc= 0.882 USER MOD Single : A 65 SER OG : rot -166:sc= 0.691 USER MOD Single : A 66 LYS NZ :NH3+ 161:sc= 0.666 (180deg=0.353) USER MOD Single : A 70 MET CE :methyl 167:sc= -0.179 (180deg=-0.684) USER MOD Single : A 71 LYS NZ :NH3+ -159:sc= -4.44! (180deg=-6.23!) USER MOD Single : A 73 TYR OH : rot 30:sc= -0.117 USER MOD Single : A 76 LYS NZ :NH3+ -127:sc= 0.65 (180deg=-2.08!) USER MOD Single : A 81 LYS NZ :NH3+ 164:sc= -3.28! (180deg=-4.28!) USER MOD Single : A 82 LYS NZ :NH3+ 149:sc= 0.825 (180deg=0.0199) USER MOD Single : A 83 LYS NZ :NH3+ 172:sc= 0.796 (180deg=0.764) USER MOD Single : A 84 TYR OH : rot 169:sc= 0.666 USER MOD ----------------------------------------------------------------- ATOM 31 N ALA A 3 3.015 3.100 -1.792 1.00 1.33 N ATOM 32 CA ALA A 3 4.214 3.791 -1.200 1.00 0.96 C ATOM 33 C ALA A 3 5.483 2.939 -1.025 1.00 0.72 C ATOM 34 O ALA A 3 6.576 3.365 -1.346 1.00 0.56 O ATOM 35 CB ALA A 3 3.785 4.360 0.158 1.00 1.39 C ATOM 0 HA ALA A 3 4.513 4.553 -1.920 1.00 0.96 H new ATOM 0 HB1 ALA A 3 4.629 4.871 0.622 1.00 1.39 H new ATOM 0 HB2 ALA A 3 2.968 5.067 0.015 1.00 1.39 H new ATOM 0 HB3 ALA A 3 3.453 3.548 0.804 1.00 1.39 H new ATOM 41 N GLU A 4 5.285 1.753 -0.511 1.00 1.03 N ATOM 42 CA GLU A 4 6.358 0.763 -0.247 1.00 1.05 C ATOM 43 C GLU A 4 7.424 0.711 -1.301 1.00 0.72 C ATOM 44 O GLU A 4 8.578 0.443 -1.059 1.00 0.91 O ATOM 45 CB GLU A 4 5.604 -0.554 -0.036 1.00 1.19 C ATOM 46 CG GLU A 4 4.929 -0.576 1.394 1.00 1.70 C ATOM 47 CD GLU A 4 4.276 0.770 1.728 1.00 3.49 C ATOM 48 OE1 GLU A 4 3.154 0.936 1.288 1.00 4.17 O ATOM 49 OE2 GLU A 4 4.955 1.550 2.380 1.00 4.91 O ATOM 0 H GLU A 4 4.358 1.417 -0.249 1.00 1.03 H new ATOM 0 HA GLU A 4 6.952 1.030 0.627 1.00 1.05 H new ATOM 0 HB2 GLU A 4 4.843 -0.673 -0.807 1.00 1.19 H new ATOM 0 HB3 GLU A 4 6.291 -1.394 -0.134 1.00 1.19 H new ATOM 0 HG2 GLU A 4 4.178 -1.365 1.431 1.00 1.70 H new ATOM 0 HG3 GLU A 4 5.679 -0.815 2.148 1.00 1.70 H new ATOM 56 N PHE A 5 6.957 0.978 -2.460 1.00 0.48 N ATOM 57 CA PHE A 5 7.839 0.989 -3.627 1.00 0.39 C ATOM 58 C PHE A 5 8.786 2.197 -3.567 1.00 0.44 C ATOM 59 O PHE A 5 9.992 2.090 -3.515 1.00 0.53 O ATOM 60 CB PHE A 5 6.960 1.092 -4.772 1.00 0.54 C ATOM 61 CG PHE A 5 7.856 1.356 -6.004 1.00 0.36 C ATOM 62 CD1 PHE A 5 8.745 0.387 -6.422 1.00 0.37 C ATOM 63 CD2 PHE A 5 7.810 2.558 -6.684 1.00 0.40 C ATOM 64 CE1 PHE A 5 9.575 0.610 -7.498 1.00 0.54 C ATOM 65 CE2 PHE A 5 8.637 2.787 -7.767 1.00 0.47 C ATOM 66 CZ PHE A 5 9.525 1.812 -8.174 1.00 0.59 C ATOM 0 H PHE A 5 5.980 1.194 -2.655 1.00 0.48 H new ATOM 0 HA PHE A 5 8.463 0.096 -3.675 1.00 0.39 H new ATOM 0 HB2 PHE A 5 6.386 0.175 -4.902 1.00 0.54 H new ATOM 0 HB3 PHE A 5 6.242 1.901 -4.636 1.00 0.54 H new ATOM 0 HD1 PHE A 5 8.790 -0.557 -5.899 1.00 0.37 H new ATOM 0 HD2 PHE A 5 7.121 3.326 -6.366 1.00 0.40 H new ATOM 0 HE1 PHE A 5 10.266 -0.157 -7.813 1.00 0.54 H new ATOM 0 HE2 PHE A 5 8.589 3.728 -8.295 1.00 0.47 H new ATOM 0 HZ PHE A 5 10.177 1.989 -9.017 1.00 0.59 H new ATOM 76 N ASP A 6 8.173 3.337 -3.561 1.00 0.47 N ATOM 77 CA ASP A 6 8.858 4.637 -3.523 1.00 0.52 C ATOM 78 C ASP A 6 9.759 4.672 -2.309 1.00 0.50 C ATOM 79 O ASP A 6 10.951 4.867 -2.395 1.00 0.51 O ATOM 80 CB ASP A 6 7.706 5.659 -3.507 1.00 0.63 C ATOM 81 CG ASP A 6 6.718 5.413 -4.634 1.00 0.68 C ATOM 82 OD1 ASP A 6 5.978 4.460 -4.467 1.00 0.66 O ATOM 83 OD2 ASP A 6 6.750 6.167 -5.586 1.00 0.78 O ATOM 0 H ASP A 6 7.156 3.417 -3.582 1.00 0.47 H new ATOM 0 HA ASP A 6 9.518 4.848 -4.364 1.00 0.52 H new ATOM 0 HB2 ASP A 6 7.186 5.606 -2.550 1.00 0.63 H new ATOM 0 HB3 ASP A 6 8.113 6.667 -3.594 1.00 0.63 H new ATOM 88 N LYS A 7 9.091 4.420 -1.224 1.00 0.48 N ATOM 89 CA LYS A 7 9.671 4.377 0.153 1.00 0.28 C ATOM 90 C LYS A 7 10.881 3.430 0.188 1.00 0.41 C ATOM 91 O LYS A 7 11.798 3.574 0.979 1.00 0.45 O ATOM 92 CB LYS A 7 8.559 3.890 1.075 1.00 0.32 C ATOM 93 CG LYS A 7 9.057 3.784 2.538 1.00 0.45 C ATOM 94 CD LYS A 7 7.859 3.387 3.453 1.00 1.17 C ATOM 95 CE LYS A 7 8.347 3.064 4.871 1.00 1.54 C ATOM 96 NZ LYS A 7 8.806 4.333 5.535 1.00 0.84 N ATOM 0 H LYS A 7 8.089 4.227 -1.236 1.00 0.48 H new ATOM 0 HA LYS A 7 10.028 5.357 0.470 1.00 0.28 H new ATOM 0 HB2 LYS A 7 7.713 4.576 1.024 1.00 0.32 H new ATOM 0 HB3 LYS A 7 8.202 2.917 0.737 1.00 0.32 H new ATOM 0 HG2 LYS A 7 9.851 3.041 2.613 1.00 0.45 H new ATOM 0 HG3 LYS A 7 9.479 4.735 2.862 1.00 0.45 H new ATOM 0 HD2 LYS A 7 7.136 4.202 3.488 1.00 1.17 H new ATOM 0 HD3 LYS A 7 7.345 2.522 3.034 1.00 1.17 H new ATOM 0 HE2 LYS A 7 7.545 2.606 5.449 1.00 1.54 H new ATOM 0 HE3 LYS A 7 9.164 2.343 4.832 1.00 1.54 H new ATOM 0 HZ1 LYS A 7 9.075 4.132 6.519 1.00 0.84 H new ATOM 0 HZ2 LYS A 7 9.627 4.715 5.023 1.00 0.84 H new ATOM 0 HZ3 LYS A 7 8.034 5.030 5.522 1.00 0.84 H new ATOM 110 N ALA A 8 10.843 2.475 -0.699 1.00 0.77 N ATOM 111 CA ALA A 8 11.963 1.502 -0.746 1.00 0.83 C ATOM 112 C ALA A 8 13.187 2.249 -1.304 1.00 0.82 C ATOM 113 O ALA A 8 14.299 1.978 -0.886 1.00 0.76 O ATOM 114 CB ALA A 8 11.516 0.323 -1.618 1.00 0.92 C ATOM 0 H ALA A 8 10.098 2.329 -1.381 1.00 0.77 H new ATOM 0 HA ALA A 8 12.235 1.099 0.230 1.00 0.83 H new ATOM 0 HB1 ALA A 8 12.318 -0.413 -1.674 1.00 0.92 H new ATOM 0 HB2 ALA A 8 10.630 -0.138 -1.180 1.00 0.92 H new ATOM 0 HB3 ALA A 8 11.281 0.680 -2.621 1.00 0.92 H new ATOM 120 N ALA A 9 13.000 3.157 -2.236 1.00 0.89 N ATOM 121 CA ALA A 9 14.177 3.915 -2.789 1.00 0.91 C ATOM 122 C ALA A 9 15.040 4.513 -1.643 1.00 0.83 C ATOM 123 O ALA A 9 16.263 4.470 -1.668 1.00 0.85 O ATOM 124 CB ALA A 9 13.629 5.027 -3.692 1.00 1.09 C ATOM 0 H ALA A 9 12.095 3.406 -2.635 1.00 0.89 H new ATOM 0 HA ALA A 9 14.822 3.246 -3.359 1.00 0.91 H new ATOM 0 HB1 ALA A 9 14.458 5.598 -4.111 1.00 1.09 H new ATOM 0 HB2 ALA A 9 13.048 4.585 -4.501 1.00 1.09 H new ATOM 0 HB3 ALA A 9 12.991 5.690 -3.107 1.00 1.09 H new ATOM 130 N GLU A 10 14.349 5.051 -0.664 1.00 0.78 N ATOM 131 CA GLU A 10 15.044 5.662 0.511 1.00 0.82 C ATOM 132 C GLU A 10 15.834 4.537 1.161 1.00 0.73 C ATOM 133 O GLU A 10 17.047 4.588 1.287 1.00 0.81 O ATOM 134 CB GLU A 10 13.972 6.238 1.474 1.00 0.81 C ATOM 135 CG GLU A 10 13.421 7.579 0.914 1.00 1.03 C ATOM 136 CD GLU A 10 12.944 7.437 -0.523 1.00 2.67 C ATOM 137 OE1 GLU A 10 11.911 6.813 -0.663 1.00 3.18 O ATOM 138 OE2 GLU A 10 13.653 7.957 -1.368 1.00 4.71 O ATOM 0 H GLU A 10 13.330 5.092 -0.630 1.00 0.78 H new ATOM 0 HA GLU A 10 15.712 6.478 0.235 1.00 0.82 H new ATOM 0 HB2 GLU A 10 13.158 5.523 1.595 1.00 0.81 H new ATOM 0 HB3 GLU A 10 14.406 6.397 2.461 1.00 0.81 H new ATOM 0 HG2 GLU A 10 12.596 7.922 1.539 1.00 1.03 H new ATOM 0 HG3 GLU A 10 14.198 8.341 0.965 1.00 1.03 H new ATOM 145 N GLU A 11 15.112 3.528 1.551 1.00 0.63 N ATOM 146 CA GLU A 11 15.746 2.359 2.201 1.00 0.64 C ATOM 147 C GLU A 11 16.965 1.775 1.506 1.00 0.65 C ATOM 148 O GLU A 11 17.988 1.555 2.130 1.00 0.85 O ATOM 149 CB GLU A 11 14.693 1.317 2.314 1.00 0.75 C ATOM 150 CG GLU A 11 13.851 1.636 3.565 1.00 1.17 C ATOM 151 CD GLU A 11 13.920 0.456 4.586 1.00 1.97 C ATOM 152 OE1 GLU A 11 14.714 -0.452 4.407 1.00 2.22 O ATOM 153 OE2 GLU A 11 13.179 0.465 5.552 1.00 2.55 O ATOM 0 H GLU A 11 14.099 3.465 1.445 1.00 0.63 H new ATOM 0 HA GLU A 11 16.137 2.704 3.158 1.00 0.64 H new ATOM 0 HB2 GLU A 11 14.066 1.309 1.423 1.00 0.75 H new ATOM 0 HB3 GLU A 11 15.142 0.327 2.397 1.00 0.75 H new ATOM 0 HG2 GLU A 11 14.215 2.551 4.032 1.00 1.17 H new ATOM 0 HG3 GLU A 11 12.815 1.816 3.277 1.00 1.17 H new ATOM 160 N VAL A 12 16.846 1.548 0.222 1.00 0.58 N ATOM 161 CA VAL A 12 18.001 0.965 -0.517 1.00 0.58 C ATOM 162 C VAL A 12 19.141 1.961 -0.391 1.00 0.66 C ATOM 163 O VAL A 12 20.282 1.581 -0.220 1.00 0.66 O ATOM 164 CB VAL A 12 17.558 0.716 -1.987 1.00 0.74 C ATOM 165 CG1 VAL A 12 17.989 1.829 -2.983 1.00 0.96 C ATOM 166 CG2 VAL A 12 18.155 -0.629 -2.416 1.00 0.69 C ATOM 0 H VAL A 12 16.014 1.738 -0.336 1.00 0.58 H new ATOM 0 HA VAL A 12 18.336 0.006 -0.121 1.00 0.58 H new ATOM 0 HB VAL A 12 16.468 0.718 -2.015 1.00 0.74 H new ATOM 0 HG11 VAL A 12 17.640 1.576 -3.984 1.00 0.96 H new ATOM 0 HG12 VAL A 12 17.554 2.780 -2.676 1.00 0.96 H new ATOM 0 HG13 VAL A 12 19.076 1.912 -2.988 1.00 0.96 H new ATOM 0 HG21 VAL A 12 17.867 -0.843 -3.445 1.00 0.69 H new ATOM 0 HG22 VAL A 12 19.242 -0.584 -2.345 1.00 0.69 H new ATOM 0 HG23 VAL A 12 17.781 -1.418 -1.763 1.00 0.69 H new ATOM 176 N LYS A 13 18.813 3.224 -0.477 1.00 0.82 N ATOM 177 CA LYS A 13 19.875 4.240 -0.348 1.00 1.08 C ATOM 178 C LYS A 13 20.378 4.227 1.114 1.00 1.14 C ATOM 179 O LYS A 13 21.492 4.598 1.379 1.00 1.58 O ATOM 180 CB LYS A 13 19.268 5.593 -0.766 1.00 1.13 C ATOM 181 CG LYS A 13 19.682 5.895 -2.224 1.00 1.95 C ATOM 182 CD LYS A 13 19.157 7.300 -2.599 1.00 1.91 C ATOM 183 CE LYS A 13 19.723 7.759 -3.936 1.00 0.98 C ATOM 184 NZ LYS A 13 21.172 8.043 -3.770 1.00 3.06 N ATOM 0 H LYS A 13 17.870 3.583 -0.628 1.00 0.82 H new ATOM 0 HA LYS A 13 20.735 4.042 -0.988 1.00 1.08 H new ATOM 0 HB2 LYS A 13 18.182 5.562 -0.681 1.00 1.13 H new ATOM 0 HB3 LYS A 13 19.617 6.384 -0.103 1.00 1.13 H new ATOM 0 HG2 LYS A 13 20.766 5.856 -2.326 1.00 1.95 H new ATOM 0 HG3 LYS A 13 19.271 5.144 -2.898 1.00 1.95 H new ATOM 0 HD2 LYS A 13 18.068 7.283 -2.648 1.00 1.91 H new ATOM 0 HD3 LYS A 13 19.430 8.013 -1.821 1.00 1.91 H new ATOM 0 HE2 LYS A 13 19.574 6.989 -4.693 1.00 0.98 H new ATOM 0 HE3 LYS A 13 19.201 8.651 -4.281 1.00 0.98 H new ATOM 0 HZ1 LYS A 13 21.495 8.661 -4.542 1.00 3.06 H new ATOM 0 HZ2 LYS A 13 21.331 8.516 -2.858 1.00 3.06 H new ATOM 0 HZ3 LYS A 13 21.706 7.151 -3.794 1.00 3.06 H new ATOM 198 N HIS A 14 19.586 3.801 2.047 1.00 0.92 N ATOM 199 CA HIS A 14 20.099 3.790 3.476 1.00 1.12 C ATOM 200 C HIS A 14 20.757 2.467 3.893 1.00 1.28 C ATOM 201 O HIS A 14 21.353 2.412 4.953 1.00 1.32 O ATOM 202 CB HIS A 14 18.974 4.053 4.493 1.00 1.07 C ATOM 203 CG HIS A 14 18.487 5.476 4.403 1.00 1.09 C ATOM 204 ND1 HIS A 14 17.618 5.857 3.551 1.00 0.79 N ATOM 205 CD2 HIS A 14 18.800 6.614 5.118 1.00 1.41 C ATOM 206 CE1 HIS A 14 17.381 7.124 3.697 1.00 0.87 C ATOM 207 NE2 HIS A 14 18.099 7.635 4.665 1.00 1.26 N ATOM 0 H HIS A 14 18.632 3.466 1.911 1.00 0.92 H new ATOM 0 HA HIS A 14 20.844 4.586 3.486 1.00 1.12 H new ATOM 0 HB2 HIS A 14 18.145 3.369 4.309 1.00 1.07 H new ATOM 0 HB3 HIS A 14 19.336 3.852 5.501 1.00 1.07 H new ATOM 0 HD1 HIS A 14 17.175 5.255 2.857 1.00 0.79 H new ATOM 0 HD2 HIS A 14 19.513 6.661 5.928 1.00 1.41 H new ATOM 0 HE1 HIS A 14 16.681 7.686 3.097 1.00 0.87 H new ATOM 215 N LEU A 15 20.647 1.442 3.081 1.00 1.37 N ATOM 216 CA LEU A 15 21.270 0.114 3.433 1.00 1.57 C ATOM 217 C LEU A 15 22.614 0.313 4.149 1.00 2.27 C ATOM 218 O LEU A 15 23.440 1.076 3.697 1.00 2.66 O ATOM 219 CB LEU A 15 21.534 -0.693 2.168 1.00 1.18 C ATOM 220 CG LEU A 15 20.253 -1.124 1.498 1.00 0.22 C ATOM 221 CD1 LEU A 15 20.638 -1.638 0.116 1.00 0.80 C ATOM 222 CD2 LEU A 15 19.572 -2.252 2.302 1.00 0.98 C ATOM 0 H LEU A 15 20.154 1.462 2.188 1.00 1.37 H new ATOM 0 HA LEU A 15 20.574 -0.412 4.087 1.00 1.57 H new ATOM 0 HB2 LEU A 15 22.124 -0.096 1.473 1.00 1.18 H new ATOM 0 HB3 LEU A 15 22.128 -1.573 2.416 1.00 1.18 H new ATOM 0 HG LEU A 15 19.551 -0.293 1.436 1.00 0.22 H new ATOM 0 HD11 LEU A 15 19.743 -1.964 -0.413 1.00 0.80 H new ATOM 0 HD12 LEU A 15 21.122 -0.840 -0.447 1.00 0.80 H new ATOM 0 HD13 LEU A 15 21.325 -2.478 0.219 1.00 0.80 H new ATOM 0 HD21 LEU A 15 18.650 -2.549 1.803 1.00 0.98 H new ATOM 0 HD22 LEU A 15 20.242 -3.109 2.366 1.00 0.98 H new ATOM 0 HD23 LEU A 15 19.342 -1.895 3.306 1.00 0.98 H new ATOM 234 N LYS A 16 22.868 -0.360 5.233 1.00 2.63 N ATOM 235 CA LYS A 16 24.195 -0.142 5.910 1.00 3.06 C ATOM 236 C LYS A 16 25.417 -0.416 4.981 1.00 2.45 C ATOM 237 O LYS A 16 26.547 -0.225 5.384 1.00 2.70 O ATOM 238 CB LYS A 16 24.216 -1.055 7.182 1.00 3.57 C ATOM 239 CG LYS A 16 25.451 -0.702 8.075 1.00 4.24 C ATOM 240 CD LYS A 16 26.605 -1.738 7.866 1.00 4.85 C ATOM 241 CE LYS A 16 27.940 -1.176 8.386 1.00 5.06 C ATOM 242 NZ LYS A 16 28.372 -0.092 7.443 1.00 5.40 N ATOM 0 H LYS A 16 22.243 -1.033 5.677 1.00 2.63 H new ATOM 0 HA LYS A 16 24.293 0.909 6.181 1.00 3.06 H new ATOM 0 HB2 LYS A 16 23.296 -0.921 7.751 1.00 3.57 H new ATOM 0 HB3 LYS A 16 24.259 -2.103 6.886 1.00 3.57 H new ATOM 0 HG2 LYS A 16 25.807 0.299 7.831 1.00 4.24 H new ATOM 0 HG3 LYS A 16 25.155 -0.688 9.124 1.00 4.24 H new ATOM 0 HD2 LYS A 16 26.367 -2.665 8.387 1.00 4.85 H new ATOM 0 HD3 LYS A 16 26.695 -1.982 6.807 1.00 4.85 H new ATOM 0 HE2 LYS A 16 27.823 -0.782 9.395 1.00 5.06 H new ATOM 0 HE3 LYS A 16 28.693 -1.962 8.437 1.00 5.06 H new ATOM 0 HZ1 LYS A 16 29.344 -0.278 7.123 1.00 5.40 H new ATOM 0 HZ2 LYS A 16 27.735 -0.072 6.622 1.00 5.40 H new ATOM 0 HZ3 LYS A 16 28.337 0.826 7.930 1.00 5.40 H new ATOM 256 N THR A 17 25.189 -0.850 3.771 1.00 1.75 N ATOM 257 CA THR A 17 26.271 -1.154 2.784 1.00 1.44 C ATOM 258 C THR A 17 25.668 -1.137 1.373 1.00 1.86 C ATOM 259 O THR A 17 24.464 -1.144 1.228 1.00 3.03 O ATOM 260 CB THR A 17 26.821 -2.531 3.147 1.00 0.70 C ATOM 261 OG1 THR A 17 27.680 -2.356 4.265 1.00 0.43 O ATOM 262 CG2 THR A 17 27.763 -3.144 2.136 1.00 0.84 C ATOM 0 H THR A 17 24.250 -1.014 3.408 1.00 1.75 H new ATOM 0 HA THR A 17 27.077 -0.421 2.807 1.00 1.44 H new ATOM 0 HB THR A 17 25.940 -3.161 3.269 1.00 0.70 H new ATOM 0 HG1 THR A 17 27.598 -1.439 4.600 1.00 0.43 H new ATOM 0 HG21 THR A 17 28.094 -4.120 2.492 1.00 0.84 H new ATOM 0 HG22 THR A 17 27.248 -3.261 1.183 1.00 0.84 H new ATOM 0 HG23 THR A 17 28.628 -2.494 2.003 1.00 0.84 H new ATOM 270 N LYS A 18 26.489 -1.112 0.357 1.00 1.25 N ATOM 271 CA LYS A 18 25.945 -1.111 -1.035 1.00 1.57 C ATOM 272 C LYS A 18 25.983 -2.594 -1.443 1.00 1.50 C ATOM 273 O LYS A 18 27.022 -3.216 -1.302 1.00 1.97 O ATOM 274 CB LYS A 18 26.846 -0.269 -1.983 1.00 1.70 C ATOM 275 CG LYS A 18 28.216 -0.879 -2.229 1.00 1.39 C ATOM 276 CD LYS A 18 29.012 0.098 -3.139 1.00 2.04 C ATOM 277 CE LYS A 18 30.318 -0.575 -3.541 1.00 2.01 C ATOM 278 NZ LYS A 18 31.033 -0.868 -2.266 1.00 1.61 N ATOM 0 H LYS A 18 27.506 -1.092 0.428 1.00 1.25 H new ATOM 0 HA LYS A 18 24.948 -0.675 -1.093 1.00 1.57 H new ATOM 0 HB2 LYS A 18 26.337 -0.146 -2.939 1.00 1.70 H new ATOM 0 HB3 LYS A 18 26.973 0.727 -1.559 1.00 1.70 H new ATOM 0 HG2 LYS A 18 28.740 -1.036 -1.286 1.00 1.39 H new ATOM 0 HG3 LYS A 18 28.120 -1.854 -2.706 1.00 1.39 H new ATOM 0 HD2 LYS A 18 28.429 0.352 -4.024 1.00 2.04 H new ATOM 0 HD3 LYS A 18 29.213 1.030 -2.611 1.00 2.04 H new ATOM 0 HE2 LYS A 18 30.130 -1.490 -4.103 1.00 2.01 H new ATOM 0 HE3 LYS A 18 30.912 0.076 -4.182 1.00 2.01 H new ATOM 0 HZ1 LYS A 18 32.054 -0.941 -2.449 1.00 1.61 H new ATOM 0 HZ2 LYS A 18 30.858 -0.101 -1.586 1.00 1.61 H new ATOM 0 HZ3 LYS A 18 30.687 -1.766 -1.872 1.00 1.61 H new ATOM 292 N PRO A 19 24.895 -3.151 -1.912 1.00 1.02 N ATOM 293 CA PRO A 19 24.882 -4.579 -2.321 1.00 0.84 C ATOM 294 C PRO A 19 25.820 -4.819 -3.510 1.00 0.89 C ATOM 295 O PRO A 19 26.464 -3.898 -3.983 1.00 1.37 O ATOM 296 CB PRO A 19 23.390 -4.813 -2.572 1.00 0.57 C ATOM 297 CG PRO A 19 22.747 -3.719 -1.692 1.00 0.91 C ATOM 298 CD PRO A 19 23.557 -2.525 -2.066 1.00 0.91 C ATOM 0 HA PRO A 19 25.270 -5.293 -1.594 1.00 0.84 H new ATOM 0 HB2 PRO A 19 23.129 -4.697 -3.624 1.00 0.57 H new ATOM 0 HB3 PRO A 19 23.077 -5.814 -2.274 1.00 0.57 H new ATOM 0 HG2 PRO A 19 21.689 -3.583 -1.914 1.00 0.91 H new ATOM 0 HG3 PRO A 19 22.823 -3.950 -0.629 1.00 0.91 H new ATOM 0 HD2 PRO A 19 23.362 -2.175 -3.080 1.00 0.91 H new ATOM 0 HD3 PRO A 19 23.402 -1.676 -1.400 1.00 0.91 H new ATOM 306 N ALA A 20 25.868 -6.038 -3.982 1.00 0.64 N ATOM 307 CA ALA A 20 26.767 -6.371 -5.138 1.00 1.07 C ATOM 308 C ALA A 20 26.100 -6.022 -6.485 1.00 0.81 C ATOM 309 O ALA A 20 24.882 -6.003 -6.568 1.00 0.53 O ATOM 310 CB ALA A 20 27.080 -7.880 -5.030 1.00 1.37 C ATOM 0 H ALA A 20 25.324 -6.821 -3.619 1.00 0.64 H new ATOM 0 HA ALA A 20 27.685 -5.785 -5.101 1.00 1.07 H new ATOM 0 HB1 ALA A 20 27.734 -8.176 -5.851 1.00 1.37 H new ATOM 0 HB2 ALA A 20 27.576 -8.082 -4.081 1.00 1.37 H new ATOM 0 HB3 ALA A 20 26.152 -8.449 -5.082 1.00 1.37 H new ATOM 316 N ASP A 21 26.905 -5.758 -7.487 1.00 0.90 N ATOM 317 CA ASP A 21 26.379 -5.404 -8.830 1.00 0.70 C ATOM 318 C ASP A 21 25.163 -6.255 -9.188 1.00 0.66 C ATOM 319 O ASP A 21 24.125 -5.687 -9.400 1.00 0.58 O ATOM 320 CB ASP A 21 27.561 -5.574 -9.845 1.00 0.78 C ATOM 321 CG ASP A 21 28.690 -4.554 -9.624 1.00 0.93 C ATOM 322 OD1 ASP A 21 29.131 -4.459 -8.485 1.00 1.37 O ATOM 323 OD2 ASP A 21 29.049 -3.932 -10.614 1.00 0.70 O ATOM 0 H ASP A 21 27.923 -5.775 -7.422 1.00 0.90 H new ATOM 0 HA ASP A 21 26.024 -4.374 -8.855 1.00 0.70 H new ATOM 0 HB2 ASP A 21 27.966 -6.582 -9.757 1.00 0.78 H new ATOM 0 HB3 ASP A 21 27.179 -5.471 -10.861 1.00 0.78 H new ATOM 328 N GLU A 22 25.232 -7.549 -9.268 1.00 0.70 N ATOM 329 CA GLU A 22 24.001 -8.340 -9.619 1.00 0.73 C ATOM 330 C GLU A 22 22.734 -7.871 -8.831 1.00 0.66 C ATOM 331 O GLU A 22 21.643 -7.687 -9.356 1.00 0.93 O ATOM 332 CB GLU A 22 24.279 -9.848 -9.325 1.00 0.77 C ATOM 333 CG GLU A 22 25.496 -10.439 -10.155 1.00 1.03 C ATOM 334 CD GLU A 22 26.889 -10.345 -9.494 1.00 2.87 C ATOM 335 OE1 GLU A 22 27.064 -9.525 -8.608 1.00 3.61 O ATOM 336 OE2 GLU A 22 27.703 -11.132 -9.953 1.00 4.27 O ATOM 0 H GLU A 22 26.075 -8.101 -9.109 1.00 0.70 H new ATOM 0 HA GLU A 22 23.788 -8.180 -10.676 1.00 0.73 H new ATOM 0 HB2 GLU A 22 24.481 -9.972 -8.261 1.00 0.77 H new ATOM 0 HB3 GLU A 22 23.382 -10.425 -9.549 1.00 0.77 H new ATOM 0 HG2 GLU A 22 25.288 -11.488 -10.366 1.00 1.03 H new ATOM 0 HG3 GLU A 22 25.538 -9.923 -11.114 1.00 1.03 H new ATOM 343 N GLU A 23 22.913 -7.673 -7.551 1.00 0.43 N ATOM 344 CA GLU A 23 21.761 -7.221 -6.709 1.00 0.40 C ATOM 345 C GLU A 23 21.411 -5.782 -7.193 1.00 0.35 C ATOM 346 O GLU A 23 20.260 -5.494 -7.485 1.00 0.35 O ATOM 347 CB GLU A 23 22.236 -7.315 -5.190 1.00 0.43 C ATOM 348 CG GLU A 23 22.514 -8.828 -4.753 1.00 0.60 C ATOM 349 CD GLU A 23 22.955 -9.032 -3.268 1.00 1.05 C ATOM 350 OE1 GLU A 23 23.313 -8.093 -2.570 1.00 2.76 O ATOM 351 OE2 GLU A 23 22.909 -10.188 -2.873 1.00 1.37 O ATOM 0 H GLU A 23 23.795 -7.802 -7.055 1.00 0.43 H new ATOM 0 HA GLU A 23 20.857 -7.824 -6.794 1.00 0.40 H new ATOM 0 HB2 GLU A 23 23.142 -6.724 -5.054 1.00 0.43 H new ATOM 0 HB3 GLU A 23 21.473 -6.883 -4.542 1.00 0.43 H new ATOM 0 HG2 GLU A 23 21.609 -9.410 -4.928 1.00 0.60 H new ATOM 0 HG3 GLU A 23 23.287 -9.239 -5.402 1.00 0.60 H new ATOM 358 N MET A 24 22.405 -4.932 -7.259 1.00 0.31 N ATOM 359 CA MET A 24 22.233 -3.514 -7.724 1.00 0.26 C ATOM 360 C MET A 24 21.474 -3.518 -9.085 1.00 0.26 C ATOM 361 O MET A 24 20.587 -2.736 -9.316 1.00 0.31 O ATOM 362 CB MET A 24 23.660 -2.938 -7.801 1.00 0.38 C ATOM 363 CG MET A 24 24.261 -2.892 -6.372 1.00 0.43 C ATOM 364 SD MET A 24 25.789 -1.954 -6.153 1.00 1.93 S ATOM 365 CE MET A 24 24.923 -0.412 -5.781 1.00 0.68 C ATOM 0 H MET A 24 23.363 -5.168 -7.001 1.00 0.31 H new ATOM 0 HA MET A 24 21.633 -2.893 -7.059 1.00 0.26 H new ATOM 0 HB2 MET A 24 24.281 -3.554 -8.451 1.00 0.38 H new ATOM 0 HB3 MET A 24 23.640 -1.938 -8.234 1.00 0.38 H new ATOM 0 HG2 MET A 24 23.509 -2.475 -5.702 1.00 0.43 H new ATOM 0 HG3 MET A 24 24.444 -3.917 -6.048 1.00 0.43 H new ATOM 0 HE1 MET A 24 25.650 0.382 -5.612 1.00 0.68 H new ATOM 0 HE2 MET A 24 24.281 -0.144 -6.620 1.00 0.68 H new ATOM 0 HE3 MET A 24 24.315 -0.543 -4.886 1.00 0.68 H new ATOM 375 N LEU A 25 21.881 -4.409 -9.940 1.00 0.23 N ATOM 376 CA LEU A 25 21.337 -4.652 -11.296 1.00 0.25 C ATOM 377 C LEU A 25 19.830 -4.929 -11.155 1.00 0.31 C ATOM 378 O LEU A 25 19.006 -4.244 -11.739 1.00 0.53 O ATOM 379 CB LEU A 25 22.143 -5.849 -11.851 1.00 0.31 C ATOM 380 CG LEU A 25 23.450 -5.418 -12.537 1.00 0.59 C ATOM 381 CD1 LEU A 25 24.223 -6.634 -13.063 1.00 0.85 C ATOM 382 CD2 LEU A 25 23.122 -4.520 -13.759 1.00 0.56 C ATOM 0 H LEU A 25 22.651 -5.040 -9.720 1.00 0.23 H new ATOM 0 HA LEU A 25 21.433 -3.813 -11.985 1.00 0.25 H new ATOM 0 HB2 LEU A 25 22.374 -6.535 -11.036 1.00 0.31 H new ATOM 0 HB3 LEU A 25 21.527 -6.397 -12.564 1.00 0.31 H new ATOM 0 HG LEU A 25 24.051 -4.885 -11.800 1.00 0.59 H new ATOM 0 HD11 LEU A 25 25.143 -6.300 -13.543 1.00 0.85 H new ATOM 0 HD12 LEU A 25 24.467 -7.297 -12.233 1.00 0.85 H new ATOM 0 HD13 LEU A 25 23.609 -7.170 -13.787 1.00 0.85 H new ATOM 0 HD21 LEU A 25 24.049 -4.215 -14.245 1.00 0.56 H new ATOM 0 HD22 LEU A 25 22.508 -5.078 -14.466 1.00 0.56 H new ATOM 0 HD23 LEU A 25 22.579 -3.636 -13.425 1.00 0.56 H new ATOM 394 N PHE A 26 19.502 -5.934 -10.379 1.00 0.38 N ATOM 395 CA PHE A 26 18.049 -6.258 -10.185 1.00 0.47 C ATOM 396 C PHE A 26 17.356 -4.975 -9.686 1.00 0.44 C ATOM 397 O PHE A 26 16.450 -4.463 -10.312 1.00 0.48 O ATOM 398 CB PHE A 26 17.946 -7.384 -9.147 1.00 0.41 C ATOM 399 CG PHE A 26 16.495 -7.834 -8.924 1.00 0.55 C ATOM 400 CD1 PHE A 26 15.541 -6.966 -8.425 1.00 0.35 C ATOM 401 CD2 PHE A 26 16.119 -9.135 -9.207 1.00 1.09 C ATOM 402 CE1 PHE A 26 14.250 -7.390 -8.216 1.00 0.44 C ATOM 403 CE2 PHE A 26 14.815 -9.558 -8.996 1.00 1.26 C ATOM 404 CZ PHE A 26 13.881 -8.679 -8.496 1.00 0.87 C ATOM 0 H PHE A 26 20.159 -6.534 -9.880 1.00 0.38 H new ATOM 0 HA PHE A 26 17.572 -6.591 -11.107 1.00 0.47 H new ATOM 0 HB2 PHE A 26 18.542 -8.235 -9.476 1.00 0.41 H new ATOM 0 HB3 PHE A 26 18.369 -7.045 -8.202 1.00 0.41 H new ATOM 0 HD1 PHE A 26 15.813 -5.946 -8.197 1.00 0.35 H new ATOM 0 HD2 PHE A 26 16.849 -9.829 -9.597 1.00 1.09 H new ATOM 0 HE1 PHE A 26 13.518 -6.698 -7.826 1.00 0.44 H new ATOM 0 HE2 PHE A 26 14.533 -10.575 -9.224 1.00 1.26 H new ATOM 0 HZ PHE A 26 12.865 -9.003 -8.326 1.00 0.87 H new ATOM 414 N ILE A 27 17.817 -4.495 -8.561 1.00 0.43 N ATOM 415 CA ILE A 27 17.259 -3.250 -7.935 1.00 0.43 C ATOM 416 C ILE A 27 17.048 -2.176 -9.017 1.00 0.47 C ATOM 417 O ILE A 27 15.992 -1.605 -9.137 1.00 0.73 O ATOM 418 CB ILE A 27 18.257 -2.803 -6.868 1.00 0.56 C ATOM 419 CG1 ILE A 27 18.339 -3.908 -5.761 1.00 1.21 C ATOM 420 CG2 ILE A 27 17.800 -1.470 -6.267 1.00 0.43 C ATOM 421 CD1 ILE A 27 17.119 -3.905 -4.777 1.00 1.52 C ATOM 0 H ILE A 27 18.578 -4.923 -8.033 1.00 0.43 H new ATOM 0 HA ILE A 27 16.287 -3.426 -7.474 1.00 0.43 H new ATOM 0 HB ILE A 27 19.244 -2.663 -7.308 1.00 0.56 H new ATOM 0 HG12 ILE A 27 18.406 -4.885 -6.240 1.00 1.21 H new ATOM 0 HG13 ILE A 27 19.256 -3.769 -5.189 1.00 1.21 H new ATOM 0 HG21 ILE A 27 18.512 -1.151 -5.506 1.00 0.43 H new ATOM 0 HG22 ILE A 27 17.746 -0.716 -7.052 1.00 0.43 H new ATOM 0 HG23 ILE A 27 16.816 -1.593 -5.815 1.00 0.43 H new ATOM 0 HD11 ILE A 27 17.245 -4.697 -4.039 1.00 1.52 H new ATOM 0 HD12 ILE A 27 17.063 -2.942 -4.270 1.00 1.52 H new ATOM 0 HD13 ILE A 27 16.199 -4.075 -5.337 1.00 1.52 H new ATOM 433 N TYR A 28 18.088 -1.941 -9.761 1.00 0.27 N ATOM 434 CA TYR A 28 18.131 -0.960 -10.876 1.00 0.34 C ATOM 435 C TYR A 28 16.967 -1.199 -11.854 1.00 0.33 C ATOM 436 O TYR A 28 16.113 -0.346 -11.991 1.00 0.30 O ATOM 437 CB TYR A 28 19.504 -1.137 -11.556 1.00 0.36 C ATOM 438 CG TYR A 28 19.616 -0.186 -12.720 1.00 0.62 C ATOM 439 CD1 TYR A 28 19.144 -0.542 -13.972 1.00 0.81 C ATOM 440 CD2 TYR A 28 20.170 1.051 -12.521 1.00 0.76 C ATOM 441 CE1 TYR A 28 19.226 0.352 -15.011 1.00 1.07 C ATOM 442 CE2 TYR A 28 20.243 1.924 -13.563 1.00 1.04 C ATOM 443 CZ TYR A 28 19.774 1.582 -14.808 1.00 1.17 C ATOM 444 OH TYR A 28 19.828 2.463 -15.858 1.00 1.44 O ATOM 0 H TYR A 28 18.974 -2.428 -9.628 1.00 0.27 H new ATOM 0 HA TYR A 28 18.016 0.063 -10.518 1.00 0.34 H new ATOM 0 HB2 TYR A 28 20.303 -0.947 -10.840 1.00 0.36 H new ATOM 0 HB3 TYR A 28 19.621 -2.165 -11.900 1.00 0.36 H new ATOM 0 HD1 TYR A 28 18.713 -1.519 -14.131 1.00 0.81 H new ATOM 0 HD2 TYR A 28 20.545 1.331 -11.548 1.00 0.76 H new ATOM 0 HE1 TYR A 28 18.856 0.080 -15.989 1.00 1.07 H new ATOM 0 HE2 TYR A 28 20.677 2.901 -13.408 1.00 1.04 H new ATOM 0 HH TYR A 28 19.076 2.296 -16.464 1.00 1.44 H new ATOM 454 N SER A 29 16.989 -2.344 -12.488 1.00 0.36 N ATOM 455 CA SER A 29 15.907 -2.702 -13.471 1.00 0.37 C ATOM 456 C SER A 29 14.546 -2.521 -12.797 1.00 0.32 C ATOM 457 O SER A 29 13.714 -1.776 -13.269 1.00 0.29 O ATOM 458 CB SER A 29 16.097 -4.174 -13.935 1.00 0.44 C ATOM 459 OG SER A 29 16.016 -4.944 -12.745 1.00 0.65 O ATOM 0 H SER A 29 17.712 -3.054 -12.370 1.00 0.36 H new ATOM 0 HA SER A 29 15.961 -2.053 -14.345 1.00 0.37 H new ATOM 0 HB2 SER A 29 15.326 -4.466 -14.648 1.00 0.44 H new ATOM 0 HB3 SER A 29 17.058 -4.311 -14.430 1.00 0.44 H new ATOM 0 HG SER A 29 16.606 -4.558 -12.065 1.00 0.65 H new ATOM 465 N HIS A 30 14.346 -3.195 -11.699 1.00 0.35 N ATOM 466 CA HIS A 30 13.046 -3.070 -10.981 1.00 0.26 C ATOM 467 C HIS A 30 12.745 -1.591 -10.671 1.00 0.18 C ATOM 468 O HIS A 30 11.704 -1.141 -11.073 1.00 0.25 O ATOM 469 CB HIS A 30 13.221 -4.002 -9.789 1.00 0.20 C ATOM 470 CG HIS A 30 13.053 -5.379 -10.428 1.00 0.28 C ATOM 471 ND1 HIS A 30 13.942 -6.253 -11.027 1.00 0.30 N flip ATOM 472 CD2 HIS A 30 11.912 -5.965 -10.534 1.00 0.60 C flip ATOM 473 CE1 HIS A 30 13.308 -7.318 -11.468 1.00 0.38 C flip ATOM 474 NE2 HIS A 30 12.059 -7.102 -11.147 1.00 0.59 N flip ATOM 0 H HIS A 30 15.023 -3.825 -11.269 1.00 0.35 H new ATOM 0 HA HIS A 30 12.160 -3.366 -11.543 1.00 0.26 H new ATOM 0 HB2 HIS A 30 14.199 -3.887 -9.322 1.00 0.20 H new ATOM 0 HB3 HIS A 30 12.475 -3.818 -9.016 1.00 0.20 H new ATOM 0 HD1 HIS A 30 14.946 -6.094 -11.114 1.00 0.30 H new ATOM 0 HD2 HIS A 30 10.975 -5.572 -10.169 1.00 0.60 H new ATOM 0 HE1 HIS A 30 13.724 -8.174 -11.978 1.00 0.38 H new ATOM 482 N TYR A 31 13.572 -0.850 -9.993 1.00 0.22 N ATOM 483 CA TYR A 31 13.350 0.606 -9.681 1.00 0.13 C ATOM 484 C TYR A 31 12.942 1.443 -10.920 1.00 0.14 C ATOM 485 O TYR A 31 11.887 2.040 -11.044 1.00 0.21 O ATOM 486 CB TYR A 31 14.662 1.128 -9.110 1.00 0.32 C ATOM 487 CG TYR A 31 14.664 2.632 -8.853 1.00 0.64 C ATOM 488 CD1 TYR A 31 13.767 3.215 -7.978 1.00 1.60 C ATOM 489 CD2 TYR A 31 15.590 3.421 -9.505 1.00 3.14 C ATOM 490 CE1 TYR A 31 13.802 4.578 -7.762 1.00 1.25 C ATOM 491 CE2 TYR A 31 15.615 4.776 -9.281 1.00 3.48 C ATOM 492 CZ TYR A 31 14.728 5.348 -8.417 1.00 1.34 C ATOM 493 OH TYR A 31 14.787 6.704 -8.217 1.00 1.73 O ATOM 0 H TYR A 31 14.449 -1.211 -9.616 1.00 0.22 H new ATOM 0 HA TYR A 31 12.521 0.700 -8.979 1.00 0.13 H new ATOM 0 HB2 TYR A 31 14.873 0.608 -8.175 1.00 0.32 H new ATOM 0 HB3 TYR A 31 15.470 0.885 -9.800 1.00 0.32 H new ATOM 0 HD1 TYR A 31 13.039 2.605 -7.464 1.00 1.60 H new ATOM 0 HD2 TYR A 31 16.294 2.973 -10.191 1.00 3.14 H new ATOM 0 HE1 TYR A 31 13.102 5.036 -7.079 1.00 1.25 H new ATOM 0 HE2 TYR A 31 16.341 5.392 -9.792 1.00 3.48 H new ATOM 0 HH TYR A 31 15.506 7.084 -8.764 1.00 1.73 H new ATOM 503 N LYS A 32 13.870 1.441 -11.832 1.00 0.12 N ATOM 504 CA LYS A 32 13.703 2.186 -13.104 1.00 0.10 C ATOM 505 C LYS A 32 12.439 1.768 -13.826 1.00 0.27 C ATOM 506 O LYS A 32 11.605 2.581 -14.154 1.00 0.45 O ATOM 507 CB LYS A 32 14.973 1.915 -13.857 1.00 0.23 C ATOM 508 CG LYS A 32 16.041 2.545 -12.930 1.00 1.55 C ATOM 509 CD LYS A 32 17.301 2.819 -13.687 1.00 1.66 C ATOM 510 CE LYS A 32 17.532 4.313 -13.674 1.00 1.59 C ATOM 511 NZ LYS A 32 18.748 4.649 -14.471 1.00 2.72 N ATOM 0 H LYS A 32 14.756 0.943 -11.746 1.00 0.12 H new ATOM 0 HA LYS A 32 13.564 3.259 -12.969 1.00 0.10 H new ATOM 0 HB2 LYS A 32 15.140 0.848 -14.004 1.00 0.23 H new ATOM 0 HB3 LYS A 32 14.967 2.376 -14.845 1.00 0.23 H new ATOM 0 HG2 LYS A 32 15.658 3.472 -12.503 1.00 1.55 H new ATOM 0 HG3 LYS A 32 16.250 1.873 -12.098 1.00 1.55 H new ATOM 0 HD2 LYS A 32 18.142 2.298 -13.230 1.00 1.66 H new ATOM 0 HD3 LYS A 32 17.219 2.454 -14.711 1.00 1.66 H new ATOM 0 HE2 LYS A 32 16.664 4.827 -14.086 1.00 1.59 H new ATOM 0 HE3 LYS A 32 17.652 4.662 -12.648 1.00 1.59 H new ATOM 0 HZ1 LYS A 32 19.408 5.197 -13.883 1.00 2.72 H new ATOM 0 HZ2 LYS A 32 19.210 3.772 -14.785 1.00 2.72 H new ATOM 0 HZ3 LYS A 32 18.474 5.213 -15.301 1.00 2.72 H new ATOM 525 N GLN A 33 12.277 0.506 -14.067 1.00 0.24 N ATOM 526 CA GLN A 33 11.038 0.075 -14.772 1.00 0.48 C ATOM 527 C GLN A 33 9.804 0.364 -13.854 1.00 0.43 C ATOM 528 O GLN A 33 8.823 0.902 -14.319 1.00 0.53 O ATOM 529 CB GLN A 33 11.327 -1.411 -15.135 1.00 0.98 C ATOM 530 CG GLN A 33 10.406 -2.361 -14.445 1.00 1.13 C ATOM 531 CD GLN A 33 9.059 -2.353 -15.136 1.00 1.01 C ATOM 532 OE1 GLN A 33 8.041 -1.795 -14.570 1.00 2.06 O flip ATOM 533 NE2 GLN A 33 8.943 -2.868 -16.223 1.00 2.64 N flip ATOM 0 H GLN A 33 12.930 -0.236 -13.815 1.00 0.24 H new ATOM 0 HA GLN A 33 10.784 0.608 -15.689 1.00 0.48 H new ATOM 0 HB2 GLN A 33 11.236 -1.542 -16.213 1.00 0.98 H new ATOM 0 HB3 GLN A 33 12.356 -1.652 -14.870 1.00 0.98 H new ATOM 0 HG2 GLN A 33 10.827 -3.366 -14.458 1.00 1.13 H new ATOM 0 HG3 GLN A 33 10.291 -2.077 -13.399 1.00 1.13 H new ATOM 0 HE21 GLN A 33 9.749 -3.308 -16.668 1.00 2.64 H new ATOM 0 HE22 GLN A 33 8.039 -2.863 -16.696 1.00 2.64 H new ATOM 542 N ALA A 34 9.828 0.035 -12.592 1.00 0.42 N ATOM 543 CA ALA A 34 8.666 0.303 -11.681 1.00 0.51 C ATOM 544 C ALA A 34 8.357 1.823 -11.573 1.00 0.42 C ATOM 545 O ALA A 34 7.224 2.191 -11.324 1.00 0.52 O ATOM 546 CB ALA A 34 9.014 -0.300 -10.313 1.00 0.59 C ATOM 0 H ALA A 34 10.621 -0.419 -12.139 1.00 0.42 H new ATOM 0 HA ALA A 34 7.761 -0.155 -12.080 1.00 0.51 H new ATOM 0 HB1 ALA A 34 8.192 -0.126 -9.619 1.00 0.59 H new ATOM 0 HB2 ALA A 34 9.179 -1.372 -10.419 1.00 0.59 H new ATOM 0 HB3 ALA A 34 9.919 0.170 -9.928 1.00 0.59 H new ATOM 552 N THR A 35 9.328 2.687 -11.774 1.00 0.30 N ATOM 553 CA THR A 35 9.070 4.185 -11.676 1.00 0.35 C ATOM 554 C THR A 35 8.804 4.749 -13.077 1.00 0.35 C ATOM 555 O THR A 35 7.935 5.579 -13.241 1.00 0.42 O ATOM 556 CB THR A 35 10.272 5.000 -11.161 1.00 0.22 C ATOM 557 OG1 THR A 35 11.303 4.565 -12.015 1.00 0.18 O ATOM 558 CG2 THR A 35 10.804 4.645 -9.793 1.00 0.31 C ATOM 0 H THR A 35 10.289 2.432 -12.002 1.00 0.30 H new ATOM 0 HA THR A 35 8.234 4.278 -10.983 1.00 0.35 H new ATOM 0 HB THR A 35 9.974 6.048 -11.127 1.00 0.22 H new ATOM 0 HG1 THR A 35 11.686 3.732 -11.668 1.00 0.18 H new ATOM 0 HG21 THR A 35 11.647 5.292 -9.551 1.00 0.31 H new ATOM 0 HG22 THR A 35 10.018 4.781 -9.050 1.00 0.31 H new ATOM 0 HG23 THR A 35 11.131 3.605 -9.788 1.00 0.31 H new ATOM 566 N VAL A 36 9.546 4.300 -14.047 1.00 0.40 N ATOM 567 CA VAL A 36 9.393 4.763 -15.464 1.00 0.53 C ATOM 568 C VAL A 36 8.534 3.823 -16.321 1.00 0.52 C ATOM 569 O VAL A 36 7.560 4.276 -16.890 1.00 0.68 O ATOM 570 CB VAL A 36 10.823 4.900 -16.153 1.00 0.58 C ATOM 571 CG1 VAL A 36 10.677 5.323 -17.655 1.00 0.77 C ATOM 572 CG2 VAL A 36 11.640 5.980 -15.442 1.00 0.56 C ATOM 0 H VAL A 36 10.281 3.605 -13.916 1.00 0.40 H new ATOM 0 HA VAL A 36 8.886 5.726 -15.412 1.00 0.53 H new ATOM 0 HB VAL A 36 11.320 3.932 -16.087 1.00 0.58 H new ATOM 0 HG11 VAL A 36 11.665 5.411 -18.106 1.00 0.77 H new ATOM 0 HG12 VAL A 36 10.099 4.570 -18.191 1.00 0.77 H new ATOM 0 HG13 VAL A 36 10.165 6.283 -17.714 1.00 0.77 H new ATOM 0 HG21 VAL A 36 12.617 6.069 -15.917 1.00 0.56 H new ATOM 0 HG22 VAL A 36 11.116 6.934 -15.507 1.00 0.56 H new ATOM 0 HG23 VAL A 36 11.770 5.708 -14.395 1.00 0.56 H new ATOM 582 N GLY A 37 8.901 2.572 -16.335 1.00 0.44 N ATOM 583 CA GLY A 37 8.207 1.497 -17.140 1.00 0.44 C ATOM 584 C GLY A 37 9.182 0.982 -18.211 1.00 0.36 C ATOM 585 O GLY A 37 10.194 0.386 -17.884 1.00 0.23 O ATOM 0 H GLY A 37 9.694 2.224 -15.796 1.00 0.44 H new ATOM 0 HA2 GLY A 37 7.893 0.680 -16.490 1.00 0.44 H new ATOM 0 HA3 GLY A 37 7.307 1.896 -17.608 1.00 0.44 H new ATOM 589 N ASP A 38 8.822 1.221 -19.446 1.00 0.53 N ATOM 590 CA ASP A 38 9.654 0.797 -20.603 1.00 0.55 C ATOM 591 C ASP A 38 10.987 1.562 -20.583 1.00 0.59 C ATOM 592 O ASP A 38 11.142 2.582 -19.933 1.00 0.89 O ATOM 593 CB ASP A 38 8.924 1.128 -21.938 1.00 0.91 C ATOM 594 CG ASP A 38 7.561 0.474 -22.156 1.00 1.06 C ATOM 595 OD1 ASP A 38 6.989 -0.139 -21.281 1.00 1.03 O ATOM 596 OD2 ASP A 38 7.138 0.635 -23.287 1.00 1.26 O ATOM 0 H ASP A 38 7.962 1.706 -19.703 1.00 0.53 H new ATOM 0 HA ASP A 38 9.828 -0.277 -20.532 1.00 0.55 H new ATOM 0 HB2 ASP A 38 8.796 2.209 -21.997 1.00 0.91 H new ATOM 0 HB3 ASP A 38 9.576 0.839 -22.763 1.00 0.91 H new ATOM 601 N ILE A 39 11.905 1.022 -21.327 1.00 0.91 N ATOM 602 CA ILE A 39 13.237 1.672 -21.397 1.00 0.99 C ATOM 603 C ILE A 39 13.128 2.559 -22.657 1.00 1.60 C ATOM 604 O ILE A 39 13.241 2.151 -23.795 1.00 1.94 O ATOM 605 CB ILE A 39 14.263 0.491 -21.433 1.00 0.95 C ATOM 606 CG1 ILE A 39 15.685 1.070 -21.303 1.00 0.91 C ATOM 607 CG2 ILE A 39 14.149 -0.355 -22.726 1.00 1.30 C ATOM 608 CD1 ILE A 39 16.625 -0.032 -20.762 1.00 0.68 C ATOM 0 H ILE A 39 11.795 0.173 -21.881 1.00 0.91 H new ATOM 0 HA ILE A 39 13.561 2.313 -20.577 1.00 0.99 H new ATOM 0 HB ILE A 39 14.041 -0.178 -20.601 1.00 0.95 H new ATOM 0 HG12 ILE A 39 16.038 1.425 -22.271 1.00 0.91 H new ATOM 0 HG13 ILE A 39 15.683 1.928 -20.631 1.00 0.91 H new ATOM 0 HG21 ILE A 39 14.883 -1.160 -22.700 1.00 1.30 H new ATOM 0 HG22 ILE A 39 13.147 -0.779 -22.796 1.00 1.30 H new ATOM 0 HG23 ILE A 39 14.337 0.278 -23.593 1.00 1.30 H new ATOM 0 HD11 ILE A 39 17.635 0.366 -20.666 1.00 0.68 H new ATOM 0 HD12 ILE A 39 16.272 -0.365 -19.786 1.00 0.68 H new ATOM 0 HD13 ILE A 39 16.632 -0.875 -21.452 1.00 0.68 H new ATOM 620 N ASN A 40 12.910 3.823 -22.428 1.00 2.06 N ATOM 621 CA ASN A 40 12.763 4.802 -23.552 1.00 2.80 C ATOM 622 C ASN A 40 14.107 5.447 -23.897 1.00 3.16 C ATOM 623 O ASN A 40 14.165 6.568 -24.363 1.00 3.78 O ATOM 624 CB ASN A 40 11.723 5.856 -23.084 1.00 2.88 C ATOM 625 CG ASN A 40 12.304 6.627 -21.901 1.00 2.62 C ATOM 626 OD1 ASN A 40 12.763 6.056 -20.936 1.00 2.63 O ATOM 627 ND2 ASN A 40 12.332 7.920 -21.891 1.00 2.97 N ATOM 0 H ASN A 40 12.825 4.230 -21.497 1.00 2.06 H new ATOM 0 HA ASN A 40 12.425 4.309 -24.464 1.00 2.80 H new ATOM 0 HB2 ASN A 40 11.484 6.539 -23.899 1.00 2.88 H new ATOM 0 HB3 ASN A 40 10.793 5.367 -22.796 1.00 2.88 H new ATOM 0 HD21 ASN A 40 12.729 8.415 -21.093 1.00 2.97 H new ATOM 0 HD22 ASN A 40 11.957 8.444 -22.681 1.00 2.97 H new ATOM 634 N THR A 41 15.136 4.687 -23.640 1.00 2.79 N ATOM 635 CA THR A 41 16.541 5.151 -23.919 1.00 3.08 C ATOM 636 C THR A 41 17.286 4.134 -24.802 1.00 3.12 C ATOM 637 O THR A 41 16.793 3.057 -25.082 1.00 2.97 O ATOM 638 CB THR A 41 17.345 5.341 -22.572 1.00 2.85 C ATOM 639 OG1 THR A 41 18.091 4.150 -22.348 1.00 2.44 O ATOM 640 CG2 THR A 41 16.445 5.305 -21.333 1.00 2.56 C ATOM 0 H THR A 41 15.070 3.750 -23.243 1.00 2.79 H new ATOM 0 HA THR A 41 16.474 6.106 -24.441 1.00 3.08 H new ATOM 0 HB THR A 41 17.892 6.278 -22.681 1.00 2.85 H new ATOM 0 HG1 THR A 41 17.981 3.865 -21.417 1.00 2.44 H new ATOM 0 HG21 THR A 41 17.052 5.441 -20.438 1.00 2.56 H new ATOM 0 HG22 THR A 41 15.707 6.105 -21.396 1.00 2.56 H new ATOM 0 HG23 THR A 41 15.934 4.344 -21.282 1.00 2.56 H new ATOM 648 N GLU A 42 18.465 4.512 -25.208 1.00 3.44 N ATOM 649 CA GLU A 42 19.299 3.623 -26.068 1.00 3.52 C ATOM 650 C GLU A 42 20.402 2.966 -25.207 1.00 2.95 C ATOM 651 O GLU A 42 20.592 3.310 -24.052 1.00 2.71 O ATOM 652 CB GLU A 42 19.883 4.508 -27.191 1.00 4.35 C ATOM 653 CG GLU A 42 20.901 5.533 -26.582 1.00 4.60 C ATOM 654 CD GLU A 42 21.452 6.546 -27.602 1.00 5.49 C ATOM 655 OE1 GLU A 42 20.857 6.684 -28.657 1.00 7.37 O ATOM 656 OE2 GLU A 42 22.457 7.130 -27.231 1.00 4.37 O ATOM 0 H GLU A 42 18.893 5.409 -24.979 1.00 3.44 H new ATOM 0 HA GLU A 42 18.719 2.813 -26.510 1.00 3.52 H new ATOM 0 HB2 GLU A 42 20.380 3.886 -27.936 1.00 4.35 H new ATOM 0 HB3 GLU A 42 19.080 5.039 -27.703 1.00 4.35 H new ATOM 0 HG2 GLU A 42 20.414 6.076 -25.772 1.00 4.60 H new ATOM 0 HG3 GLU A 42 21.734 4.985 -26.142 1.00 4.60 H new ATOM 663 N ARG A 43 21.073 2.015 -25.796 1.00 2.84 N ATOM 664 CA ARG A 43 22.184 1.276 -25.109 1.00 2.27 C ATOM 665 C ARG A 43 23.500 2.106 -24.830 1.00 2.23 C ATOM 666 O ARG A 43 24.166 2.523 -25.758 1.00 2.23 O ATOM 667 CB ARG A 43 22.428 0.035 -26.017 1.00 1.88 C ATOM 668 CG ARG A 43 22.852 -1.201 -25.173 1.00 1.62 C ATOM 669 CD ARG A 43 22.171 -2.433 -25.781 1.00 1.90 C ATOM 670 NE ARG A 43 22.608 -3.631 -24.988 1.00 2.09 N ATOM 671 CZ ARG A 43 23.111 -4.691 -25.485 1.00 1.25 C ATOM 672 NH1 ARG A 43 23.998 -4.590 -26.380 1.00 0.39 N ATOM 673 NH2 ARG A 43 22.684 -5.794 -25.038 1.00 1.80 N ATOM 0 H ARG A 43 20.896 1.707 -26.752 1.00 2.84 H new ATOM 0 HA ARG A 43 21.891 1.017 -24.092 1.00 2.27 H new ATOM 0 HB2 ARG A 43 21.520 -0.196 -26.575 1.00 1.88 H new ATOM 0 HB3 ARG A 43 23.203 0.263 -26.749 1.00 1.88 H new ATOM 0 HG2 ARG A 43 23.936 -1.318 -25.183 1.00 1.62 H new ATOM 0 HG3 ARG A 43 22.555 -1.074 -24.132 1.00 1.62 H new ATOM 0 HD2 ARG A 43 21.087 -2.327 -25.748 1.00 1.90 H new ATOM 0 HD3 ARG A 43 22.448 -2.546 -26.829 1.00 1.90 H new ATOM 0 HE ARG A 43 22.494 -3.593 -23.975 1.00 2.09 H new ATOM 0 HH11 ARG A 43 24.302 -3.669 -26.695 1.00 0.39 H new ATOM 0 HH12 ARG A 43 24.410 -5.430 -26.787 1.00 0.39 H new ATOM 0 HH21 ARG A 43 21.968 -5.807 -24.312 1.00 1.80 H new ATOM 0 HH22 ARG A 43 23.055 -6.671 -25.404 1.00 1.80 H new ATOM 687 N PRO A 44 23.824 2.324 -23.560 1.00 2.36 N ATOM 688 CA PRO A 44 25.036 3.090 -23.067 1.00 2.46 C ATOM 689 C PRO A 44 26.449 2.904 -23.705 1.00 2.43 C ATOM 690 O PRO A 44 26.756 1.929 -24.368 1.00 2.44 O ATOM 691 CB PRO A 44 25.059 2.766 -21.552 1.00 2.51 C ATOM 692 CG PRO A 44 23.565 2.685 -21.235 1.00 2.80 C ATOM 693 CD PRO A 44 23.014 1.848 -22.395 1.00 2.60 C ATOM 0 HA PRO A 44 24.886 4.126 -23.370 1.00 2.46 H new ATOM 0 HB2 PRO A 44 25.575 1.829 -21.341 1.00 2.51 H new ATOM 0 HB3 PRO A 44 25.560 3.543 -20.974 1.00 2.51 H new ATOM 0 HG2 PRO A 44 23.382 2.210 -20.271 1.00 2.80 H new ATOM 0 HG3 PRO A 44 23.106 3.673 -21.196 1.00 2.80 H new ATOM 0 HD2 PRO A 44 23.144 0.780 -22.221 1.00 2.60 H new ATOM 0 HD3 PRO A 44 21.948 2.019 -22.547 1.00 2.60 H new ATOM 701 N GLY A 45 27.320 3.855 -23.454 1.00 2.65 N ATOM 702 CA GLY A 45 28.721 3.790 -24.010 1.00 2.90 C ATOM 703 C GLY A 45 29.805 3.531 -22.937 1.00 3.00 C ATOM 704 O GLY A 45 30.024 2.386 -22.587 1.00 3.31 O ATOM 0 H GLY A 45 27.124 4.679 -22.886 1.00 2.65 H new ATOM 0 HA2 GLY A 45 28.769 3.000 -24.760 1.00 2.90 H new ATOM 0 HA3 GLY A 45 28.944 4.727 -24.520 1.00 2.90 H new ATOM 708 N MET A 46 30.391 4.613 -22.490 1.00 3.04 N ATOM 709 CA MET A 46 31.481 4.678 -21.456 1.00 3.33 C ATOM 710 C MET A 46 31.713 3.499 -20.491 1.00 3.21 C ATOM 711 O MET A 46 32.609 2.703 -20.676 1.00 3.25 O ATOM 712 CB MET A 46 31.257 5.965 -20.603 1.00 3.73 C ATOM 713 CG MET A 46 31.210 7.241 -21.455 1.00 3.96 C ATOM 714 SD MET A 46 29.779 7.472 -22.542 1.00 3.73 S ATOM 715 CE MET A 46 28.549 7.797 -21.253 1.00 4.02 C ATOM 0 H MET A 46 30.132 5.538 -22.833 1.00 3.04 H new ATOM 0 HA MET A 46 32.384 4.657 -22.066 1.00 3.33 H new ATOM 0 HB2 MET A 46 30.324 5.870 -20.047 1.00 3.73 H new ATOM 0 HB3 MET A 46 32.058 6.053 -19.869 1.00 3.73 H new ATOM 0 HG2 MET A 46 31.262 8.097 -20.782 1.00 3.96 H new ATOM 0 HG3 MET A 46 32.108 7.266 -22.072 1.00 3.96 H new ATOM 0 HE1 MET A 46 27.641 8.193 -21.708 1.00 4.02 H new ATOM 0 HE2 MET A 46 28.317 6.870 -20.729 1.00 4.02 H new ATOM 0 HE3 MET A 46 28.947 8.524 -20.545 1.00 4.02 H new ATOM 725 N LEU A 47 30.892 3.402 -19.482 1.00 3.05 N ATOM 726 CA LEU A 47 31.042 2.301 -18.480 1.00 2.93 C ATOM 727 C LEU A 47 30.383 0.988 -18.874 1.00 2.71 C ATOM 728 O LEU A 47 29.471 0.518 -18.219 1.00 4.23 O ATOM 729 CB LEU A 47 30.470 2.830 -17.142 1.00 2.83 C ATOM 730 CG LEU A 47 31.535 3.659 -16.413 1.00 2.99 C ATOM 731 CD1 LEU A 47 31.081 5.131 -16.335 1.00 5.95 C ATOM 732 CD2 LEU A 47 31.677 3.065 -15.009 1.00 3.03 C ATOM 0 H LEU A 47 30.117 4.041 -19.305 1.00 3.05 H new ATOM 0 HA LEU A 47 32.100 2.050 -18.404 1.00 2.93 H new ATOM 0 HB2 LEU A 47 29.587 3.440 -17.330 1.00 2.83 H new ATOM 0 HB3 LEU A 47 30.154 1.996 -16.516 1.00 2.83 H new ATOM 0 HG LEU A 47 32.490 3.631 -16.938 1.00 2.99 H new ATOM 0 HD11 LEU A 47 31.839 5.719 -15.817 1.00 5.95 H new ATOM 0 HD12 LEU A 47 30.944 5.523 -17.343 1.00 5.95 H new ATOM 0 HD13 LEU A 47 30.139 5.193 -15.790 1.00 5.95 H new ATOM 0 HD21 LEU A 47 32.427 3.625 -14.451 1.00 3.03 H new ATOM 0 HD22 LEU A 47 30.720 3.124 -14.490 1.00 3.03 H new ATOM 0 HD23 LEU A 47 31.985 2.022 -15.085 1.00 3.03 H new ATOM 744 N ASP A 48 30.886 0.453 -19.949 1.00 1.64 N ATOM 745 CA ASP A 48 30.375 -0.842 -20.490 1.00 1.45 C ATOM 746 C ASP A 48 29.612 -1.753 -19.496 1.00 1.41 C ATOM 747 O ASP A 48 28.404 -1.729 -19.538 1.00 1.60 O ATOM 748 CB ASP A 48 31.589 -1.567 -21.085 1.00 1.66 C ATOM 749 CG ASP A 48 32.813 -1.319 -20.222 1.00 2.88 C ATOM 750 OD1 ASP A 48 32.722 -1.527 -19.032 1.00 4.49 O ATOM 751 OD2 ASP A 48 33.778 -0.928 -20.831 1.00 3.48 O ATOM 0 H ASP A 48 31.646 0.866 -20.489 1.00 1.64 H new ATOM 0 HA ASP A 48 29.607 -0.610 -21.228 1.00 1.45 H new ATOM 0 HB2 ASP A 48 31.389 -2.637 -21.149 1.00 1.66 H new ATOM 0 HB3 ASP A 48 31.772 -1.215 -22.100 1.00 1.66 H new ATOM 756 N PHE A 49 30.240 -2.515 -18.628 1.00 1.20 N ATOM 757 CA PHE A 49 29.426 -3.375 -17.697 1.00 1.26 C ATOM 758 C PHE A 49 28.469 -2.523 -16.842 1.00 1.23 C ATOM 759 O PHE A 49 27.262 -2.602 -16.988 1.00 1.84 O ATOM 760 CB PHE A 49 30.416 -4.243 -16.783 1.00 1.09 C ATOM 761 CG PHE A 49 31.067 -3.451 -15.632 1.00 1.17 C ATOM 762 CD1 PHE A 49 32.036 -2.507 -15.886 1.00 3.11 C ATOM 763 CD2 PHE A 49 30.664 -3.649 -14.324 1.00 1.94 C ATOM 764 CE1 PHE A 49 32.591 -1.770 -14.864 1.00 3.16 C ATOM 765 CE2 PHE A 49 31.218 -2.912 -13.296 1.00 2.03 C ATOM 766 CZ PHE A 49 32.185 -1.968 -13.566 1.00 1.42 C ATOM 0 H PHE A 49 31.252 -2.581 -18.522 1.00 1.20 H new ATOM 0 HA PHE A 49 28.804 -4.050 -18.285 1.00 1.26 H new ATOM 0 HB2 PHE A 49 29.863 -5.084 -16.364 1.00 1.09 H new ATOM 0 HB3 PHE A 49 31.202 -4.661 -17.412 1.00 1.09 H new ATOM 0 HD1 PHE A 49 32.366 -2.342 -16.901 1.00 3.11 H new ATOM 0 HD2 PHE A 49 29.908 -4.388 -14.104 1.00 1.94 H new ATOM 0 HE1 PHE A 49 33.349 -1.033 -15.083 1.00 3.16 H new ATOM 0 HE2 PHE A 49 30.893 -3.076 -12.279 1.00 2.03 H new ATOM 0 HZ PHE A 49 32.620 -1.389 -12.765 1.00 1.42 H new ATOM 776 N LYS A 50 29.063 -1.720 -16.009 1.00 0.56 N ATOM 777 CA LYS A 50 28.369 -0.795 -15.061 1.00 0.44 C ATOM 778 C LYS A 50 27.328 0.141 -15.693 1.00 0.47 C ATOM 779 O LYS A 50 26.720 0.923 -14.994 1.00 0.61 O ATOM 780 CB LYS A 50 29.489 -0.035 -14.347 1.00 0.57 C ATOM 781 CG LYS A 50 28.951 0.994 -13.340 1.00 0.98 C ATOM 782 CD LYS A 50 30.131 1.366 -12.441 1.00 0.70 C ATOM 783 CE LYS A 50 29.850 2.634 -11.673 1.00 2.16 C ATOM 784 NZ LYS A 50 31.063 2.903 -10.850 1.00 2.70 N ATOM 0 H LYS A 50 30.079 -1.663 -15.942 1.00 0.56 H new ATOM 0 HA LYS A 50 27.753 -1.374 -14.373 1.00 0.44 H new ATOM 0 HB2 LYS A 50 30.132 -0.745 -13.828 1.00 0.57 H new ATOM 0 HB3 LYS A 50 30.108 0.474 -15.086 1.00 0.57 H new ATOM 0 HG2 LYS A 50 28.560 1.873 -13.853 1.00 0.98 H new ATOM 0 HG3 LYS A 50 28.132 0.575 -12.755 1.00 0.98 H new ATOM 0 HD2 LYS A 50 30.332 0.552 -11.744 1.00 0.70 H new ATOM 0 HD3 LYS A 50 31.028 1.495 -13.047 1.00 0.70 H new ATOM 0 HE2 LYS A 50 29.649 3.463 -12.352 1.00 2.16 H new ATOM 0 HE3 LYS A 50 28.969 2.519 -11.041 1.00 2.16 H new ATOM 0 HZ1 LYS A 50 30.922 3.772 -10.297 1.00 2.70 H new ATOM 0 HZ2 LYS A 50 31.228 2.105 -10.204 1.00 2.70 H new ATOM 0 HZ3 LYS A 50 31.887 3.020 -11.474 1.00 2.70 H new ATOM 798 N GLY A 51 27.204 0.069 -16.987 1.00 0.70 N ATOM 799 CA GLY A 51 26.197 0.906 -17.734 1.00 1.03 C ATOM 800 C GLY A 51 25.293 -0.036 -18.565 1.00 0.70 C ATOM 801 O GLY A 51 24.082 -0.090 -18.404 1.00 0.67 O ATOM 0 H GLY A 51 27.765 -0.544 -17.579 1.00 0.70 H new ATOM 0 HA2 GLY A 51 25.596 1.488 -17.035 1.00 1.03 H new ATOM 0 HA3 GLY A 51 26.705 1.616 -18.387 1.00 1.03 H new ATOM 805 N LYS A 52 25.920 -0.777 -19.452 1.00 0.62 N ATOM 806 CA LYS A 52 25.144 -1.736 -20.327 1.00 0.35 C ATOM 807 C LYS A 52 24.332 -2.776 -19.575 1.00 0.38 C ATOM 808 O LYS A 52 23.209 -3.016 -19.954 1.00 0.60 O ATOM 809 CB LYS A 52 26.052 -2.571 -21.304 1.00 0.34 C ATOM 810 CG LYS A 52 25.999 -1.964 -22.718 1.00 0.74 C ATOM 811 CD LYS A 52 26.789 -0.641 -22.809 1.00 2.44 C ATOM 812 CE LYS A 52 28.173 -0.892 -23.434 1.00 1.88 C ATOM 813 NZ LYS A 52 28.819 0.436 -23.700 1.00 1.82 N ATOM 0 H LYS A 52 26.927 -0.764 -19.612 1.00 0.62 H new ATOM 0 HA LYS A 52 24.488 -1.049 -20.862 1.00 0.35 H new ATOM 0 HB2 LYS A 52 27.080 -2.579 -20.941 1.00 0.34 H new ATOM 0 HB3 LYS A 52 25.715 -3.607 -21.331 1.00 0.34 H new ATOM 0 HG2 LYS A 52 26.404 -2.678 -23.435 1.00 0.74 H new ATOM 0 HG3 LYS A 52 24.961 -1.786 -22.998 1.00 0.74 H new ATOM 0 HD2 LYS A 52 26.236 0.081 -23.410 1.00 2.44 H new ATOM 0 HD3 LYS A 52 26.903 -0.208 -21.815 1.00 2.44 H new ATOM 0 HE2 LYS A 52 28.791 -1.487 -22.761 1.00 1.88 H new ATOM 0 HE3 LYS A 52 28.074 -1.458 -24.360 1.00 1.88 H new ATOM 0 HZ1 LYS A 52 29.694 0.294 -24.244 1.00 1.82 H new ATOM 0 HZ2 LYS A 52 28.167 1.037 -24.243 1.00 1.82 H new ATOM 0 HZ3 LYS A 52 29.045 0.899 -22.797 1.00 1.82 H new ATOM 827 N ALA A 53 24.917 -3.322 -18.537 1.00 0.60 N ATOM 828 CA ALA A 53 24.222 -4.356 -17.744 1.00 0.54 C ATOM 829 C ALA A 53 22.999 -3.666 -17.151 1.00 0.58 C ATOM 830 O ALA A 53 21.917 -4.176 -17.284 1.00 0.45 O ATOM 831 CB ALA A 53 25.207 -4.857 -16.683 1.00 0.59 C ATOM 0 H ALA A 53 25.854 -3.087 -18.211 1.00 0.60 H new ATOM 0 HA ALA A 53 23.895 -5.224 -18.316 1.00 0.54 H new ATOM 0 HB1 ALA A 53 24.728 -5.625 -16.075 1.00 0.59 H new ATOM 0 HB2 ALA A 53 26.086 -5.277 -17.172 1.00 0.59 H new ATOM 0 HB3 ALA A 53 25.509 -4.026 -16.046 1.00 0.59 H new ATOM 837 N LYS A 54 23.195 -2.536 -16.523 1.00 0.76 N ATOM 838 CA LYS A 54 22.034 -1.804 -15.930 1.00 0.85 C ATOM 839 C LYS A 54 20.943 -1.608 -17.015 1.00 0.68 C ATOM 840 O LYS A 54 19.776 -1.849 -16.770 1.00 0.94 O ATOM 841 CB LYS A 54 22.528 -0.455 -15.432 1.00 1.33 C ATOM 842 CG LYS A 54 23.504 -0.577 -14.231 1.00 1.28 C ATOM 843 CD LYS A 54 24.229 0.798 -14.099 1.00 0.65 C ATOM 844 CE LYS A 54 23.324 1.967 -13.758 1.00 0.56 C ATOM 845 NZ LYS A 54 24.092 3.249 -13.891 1.00 1.13 N ATOM 0 H LYS A 54 24.103 -2.089 -16.395 1.00 0.76 H new ATOM 0 HA LYS A 54 21.605 -2.368 -15.102 1.00 0.85 H new ATOM 0 HB2 LYS A 54 23.027 0.068 -16.248 1.00 1.33 H new ATOM 0 HB3 LYS A 54 21.673 0.154 -15.139 1.00 1.33 H new ATOM 0 HG2 LYS A 54 22.963 -0.818 -13.316 1.00 1.28 H new ATOM 0 HG3 LYS A 54 24.223 -1.379 -14.397 1.00 1.28 H new ATOM 0 HD2 LYS A 54 24.997 0.715 -13.330 1.00 0.65 H new ATOM 0 HD3 LYS A 54 24.740 1.014 -15.037 1.00 0.65 H new ATOM 0 HE2 LYS A 54 22.460 1.978 -14.422 1.00 0.56 H new ATOM 0 HE3 LYS A 54 22.944 1.862 -12.742 1.00 0.56 H new ATOM 0 HZ1 LYS A 54 23.472 4.051 -13.657 1.00 1.13 H new ATOM 0 HZ2 LYS A 54 24.903 3.237 -13.240 1.00 1.13 H new ATOM 0 HZ3 LYS A 54 24.434 3.349 -14.868 1.00 1.13 H new ATOM 859 N TRP A 55 21.354 -1.199 -18.201 1.00 0.79 N ATOM 860 CA TRP A 55 20.367 -0.972 -19.314 1.00 0.64 C ATOM 861 C TRP A 55 19.709 -2.312 -19.596 1.00 0.21 C ATOM 862 O TRP A 55 18.530 -2.472 -19.361 1.00 0.32 O ATOM 863 CB TRP A 55 21.116 -0.480 -20.568 1.00 0.90 C ATOM 864 CG TRP A 55 20.098 0.171 -21.514 1.00 1.13 C ATOM 865 CD1 TRP A 55 19.630 1.437 -21.352 1.00 1.43 C ATOM 866 CD2 TRP A 55 19.508 -0.391 -22.599 1.00 1.19 C ATOM 867 NE1 TRP A 55 18.780 1.569 -22.349 1.00 1.61 N ATOM 868 CE2 TRP A 55 18.627 0.531 -23.160 1.00 1.54 C ATOM 869 CE3 TRP A 55 19.639 -1.658 -23.179 1.00 1.04 C ATOM 870 CZ2 TRP A 55 17.887 0.190 -24.292 1.00 1.80 C ATOM 871 CZ3 TRP A 55 18.897 -1.997 -24.309 1.00 1.34 C ATOM 872 CH2 TRP A 55 18.019 -1.072 -24.868 1.00 1.72 C ATOM 0 H TRP A 55 22.327 -1.014 -18.444 1.00 0.79 H new ATOM 0 HA TRP A 55 19.623 -0.223 -19.042 1.00 0.64 H new ATOM 0 HB2 TRP A 55 21.889 0.237 -20.291 1.00 0.90 H new ATOM 0 HB3 TRP A 55 21.615 -1.313 -21.063 1.00 0.90 H new ATOM 0 HD1 TRP A 55 19.891 2.158 -20.592 1.00 1.43 H new ATOM 0 HE1 TRP A 55 18.260 2.435 -22.492 1.00 1.61 H new ATOM 0 HE3 TRP A 55 20.319 -2.378 -22.748 1.00 1.04 H new ATOM 0 HZ2 TRP A 55 17.207 0.909 -24.725 1.00 1.80 H new ATOM 0 HZ3 TRP A 55 19.003 -2.977 -24.751 1.00 1.34 H new ATOM 0 HH2 TRP A 55 17.443 -1.331 -25.744 1.00 1.72 H new ATOM 883 N ASP A 56 20.482 -3.230 -20.110 1.00 0.44 N ATOM 884 CA ASP A 56 20.011 -4.601 -20.429 1.00 0.14 C ATOM 885 C ASP A 56 19.076 -5.145 -19.339 1.00 0.11 C ATOM 886 O ASP A 56 17.963 -5.557 -19.613 1.00 0.25 O ATOM 887 CB ASP A 56 21.367 -5.347 -20.656 1.00 0.16 C ATOM 888 CG ASP A 56 21.686 -5.155 -22.123 1.00 0.43 C ATOM 889 OD1 ASP A 56 20.883 -5.613 -22.911 1.00 2.69 O ATOM 890 OD2 ASP A 56 22.694 -4.563 -22.445 1.00 1.60 O ATOM 0 H ASP A 56 21.466 -3.073 -20.330 1.00 0.44 H new ATOM 0 HA ASP A 56 19.367 -4.705 -21.302 1.00 0.14 H new ATOM 0 HB2 ASP A 56 22.154 -4.934 -20.025 1.00 0.16 H new ATOM 0 HB3 ASP A 56 21.281 -6.405 -20.407 1.00 0.16 H new ATOM 895 N ALA A 57 19.576 -5.117 -18.136 1.00 0.08 N ATOM 896 CA ALA A 57 18.840 -5.578 -16.935 1.00 0.10 C ATOM 897 C ALA A 57 17.453 -4.888 -16.928 1.00 0.10 C ATOM 898 O ALA A 57 16.459 -5.493 -16.586 1.00 0.27 O ATOM 899 CB ALA A 57 19.701 -5.206 -15.724 1.00 0.12 C ATOM 0 H ALA A 57 20.515 -4.774 -17.932 1.00 0.08 H new ATOM 0 HA ALA A 57 18.664 -6.654 -16.919 1.00 0.10 H new ATOM 0 HB1 ALA A 57 19.201 -5.526 -14.810 1.00 0.12 H new ATOM 0 HB2 ALA A 57 20.669 -5.701 -15.800 1.00 0.12 H new ATOM 0 HB3 ALA A 57 19.847 -4.126 -15.699 1.00 0.12 H new ATOM 905 N TRP A 58 17.406 -3.629 -17.298 1.00 0.22 N ATOM 906 CA TRP A 58 16.077 -2.919 -17.321 1.00 0.26 C ATOM 907 C TRP A 58 15.351 -3.322 -18.622 1.00 0.41 C ATOM 908 O TRP A 58 14.233 -3.792 -18.572 1.00 0.82 O ATOM 909 CB TRP A 58 16.296 -1.389 -17.283 1.00 0.09 C ATOM 910 CG TRP A 58 14.946 -0.616 -17.371 1.00 0.23 C ATOM 911 CD1 TRP A 58 13.684 -1.151 -17.238 1.00 0.27 C ATOM 912 CD2 TRP A 58 14.826 0.719 -17.596 1.00 0.46 C ATOM 913 NE1 TRP A 58 12.904 -0.096 -17.398 1.00 0.41 N ATOM 914 CE2 TRP A 58 13.487 1.056 -17.612 1.00 0.55 C ATOM 915 CE3 TRP A 58 15.757 1.728 -17.806 1.00 0.68 C ATOM 916 CZ2 TRP A 58 13.056 2.355 -17.827 1.00 0.83 C ATOM 917 CZ3 TRP A 58 15.338 3.049 -18.026 1.00 0.95 C ATOM 918 CH2 TRP A 58 13.987 3.362 -18.038 1.00 1.01 C ATOM 0 H TRP A 58 18.210 -3.068 -17.580 1.00 0.22 H new ATOM 0 HA TRP A 58 15.479 -3.197 -16.453 1.00 0.26 H new ATOM 0 HB2 TRP A 58 16.813 -1.117 -16.362 1.00 0.09 H new ATOM 0 HB3 TRP A 58 16.941 -1.092 -18.110 1.00 0.09 H new ATOM 0 HD1 TRP A 58 13.402 -2.176 -17.050 1.00 0.27 H new ATOM 0 HE1 TRP A 58 11.888 -0.176 -17.356 1.00 0.41 H new ATOM 0 HE3 TRP A 58 16.811 1.494 -17.800 1.00 0.68 H new ATOM 0 HZ2 TRP A 58 12.000 2.583 -17.830 1.00 0.83 H new ATOM 0 HZ3 TRP A 58 16.071 3.826 -18.187 1.00 0.95 H new ATOM 0 HH2 TRP A 58 13.663 4.378 -18.210 1.00 1.01 H new ATOM 929 N ASN A 59 15.964 -3.170 -19.761 1.00 0.27 N ATOM 930 CA ASN A 59 15.371 -3.517 -21.070 1.00 0.46 C ATOM 931 C ASN A 59 14.576 -4.812 -21.112 1.00 0.30 C ATOM 932 O ASN A 59 13.449 -4.800 -21.547 1.00 0.32 O ATOM 933 CB ASN A 59 16.515 -3.596 -22.102 1.00 0.46 C ATOM 934 CG ASN A 59 15.908 -3.900 -23.456 1.00 0.85 C ATOM 935 OD1 ASN A 59 15.457 -4.987 -23.734 1.00 1.88 O ATOM 936 ND2 ASN A 59 15.837 -2.988 -24.354 1.00 2.22 N ATOM 0 H ASN A 59 16.910 -2.796 -19.833 1.00 0.27 H new ATOM 0 HA ASN A 59 14.645 -2.734 -21.291 1.00 0.46 H new ATOM 0 HB2 ASN A 59 17.064 -2.655 -22.134 1.00 0.46 H new ATOM 0 HB3 ASN A 59 17.228 -4.372 -21.822 1.00 0.46 H new ATOM 0 HD21 ASN A 59 15.413 -3.195 -25.258 1.00 2.22 H new ATOM 0 HD22 ASN A 59 16.205 -2.056 -24.164 1.00 2.22 H new ATOM 943 N GLU A 60 15.145 -5.886 -20.655 1.00 0.40 N ATOM 944 CA GLU A 60 14.352 -7.149 -20.729 1.00 0.70 C ATOM 945 C GLU A 60 13.019 -7.169 -19.940 1.00 0.64 C ATOM 946 O GLU A 60 12.205 -8.053 -20.103 1.00 0.78 O ATOM 947 CB GLU A 60 15.334 -8.290 -20.298 1.00 1.31 C ATOM 948 CG GLU A 60 14.715 -9.715 -20.580 1.00 1.70 C ATOM 949 CD GLU A 60 13.891 -10.322 -19.426 1.00 2.52 C ATOM 950 OE1 GLU A 60 14.092 -9.899 -18.298 1.00 1.39 O ATOM 951 OE2 GLU A 60 13.111 -11.200 -19.757 1.00 4.64 O ATOM 0 H GLU A 60 16.079 -5.953 -20.251 1.00 0.40 H new ATOM 0 HA GLU A 60 13.988 -7.276 -21.749 1.00 0.70 H new ATOM 0 HB2 GLU A 60 16.275 -8.186 -20.838 1.00 1.31 H new ATOM 0 HB3 GLU A 60 15.563 -8.194 -19.237 1.00 1.31 H new ATOM 0 HG2 GLU A 60 14.078 -9.647 -21.462 1.00 1.70 H new ATOM 0 HG3 GLU A 60 15.525 -10.402 -20.825 1.00 1.70 H new ATOM 958 N LEU A 61 12.789 -6.191 -19.111 1.00 0.68 N ATOM 959 CA LEU A 61 11.533 -6.105 -18.297 1.00 0.96 C ATOM 960 C LEU A 61 10.588 -5.129 -19.009 1.00 1.28 C ATOM 961 O LEU A 61 9.411 -5.032 -18.707 1.00 1.86 O ATOM 962 CB LEU A 61 11.797 -5.500 -16.899 1.00 0.78 C ATOM 963 CG LEU A 61 12.916 -6.174 -16.107 1.00 0.62 C ATOM 964 CD1 LEU A 61 12.952 -5.476 -14.736 1.00 0.43 C ATOM 965 CD2 LEU A 61 12.602 -7.651 -15.924 1.00 0.68 C ATOM 0 H LEU A 61 13.438 -5.420 -18.955 1.00 0.68 H new ATOM 0 HA LEU A 61 11.126 -7.111 -18.190 1.00 0.96 H new ATOM 0 HB2 LEU A 61 12.040 -4.444 -17.016 1.00 0.78 H new ATOM 0 HB3 LEU A 61 10.877 -5.553 -16.317 1.00 0.78 H new ATOM 0 HG LEU A 61 13.873 -6.094 -16.622 1.00 0.62 H new ATOM 0 HD11 LEU A 61 13.737 -5.918 -14.123 1.00 0.43 H new ATOM 0 HD12 LEU A 61 13.154 -4.414 -14.874 1.00 0.43 H new ATOM 0 HD13 LEU A 61 11.990 -5.601 -14.239 1.00 0.43 H new ATOM 0 HD21 LEU A 61 13.404 -8.126 -15.359 1.00 0.68 H new ATOM 0 HD22 LEU A 61 11.662 -7.759 -15.382 1.00 0.68 H new ATOM 0 HD23 LEU A 61 12.515 -8.128 -16.900 1.00 0.68 H new ATOM 977 N LYS A 62 11.146 -4.437 -19.962 1.00 0.99 N ATOM 978 CA LYS A 62 10.447 -3.417 -20.784 1.00 1.16 C ATOM 979 C LYS A 62 8.946 -3.342 -20.868 1.00 1.26 C ATOM 980 O LYS A 62 8.441 -2.251 -20.958 1.00 1.42 O ATOM 981 CB LYS A 62 11.123 -3.507 -22.200 1.00 1.30 C ATOM 982 CG LYS A 62 10.285 -2.712 -23.270 1.00 1.77 C ATOM 983 CD LYS A 62 9.146 -3.622 -23.877 1.00 2.18 C ATOM 984 CE LYS A 62 8.031 -2.811 -24.594 1.00 2.73 C ATOM 985 NZ LYS A 62 7.147 -2.108 -23.600 1.00 2.94 N ATOM 0 H LYS A 62 12.127 -4.550 -20.217 1.00 0.99 H new ATOM 0 HA LYS A 62 10.577 -2.481 -20.241 1.00 1.16 H new ATOM 0 HB2 LYS A 62 12.135 -3.105 -22.151 1.00 1.30 H new ATOM 0 HB3 LYS A 62 11.209 -4.551 -22.501 1.00 1.30 H new ATOM 0 HG2 LYS A 62 9.844 -1.828 -22.810 1.00 1.77 H new ATOM 0 HG3 LYS A 62 10.942 -2.363 -24.067 1.00 1.77 H new ATOM 0 HD2 LYS A 62 9.589 -4.323 -24.585 1.00 2.18 H new ATOM 0 HD3 LYS A 62 8.699 -4.214 -23.079 1.00 2.18 H new ATOM 0 HE2 LYS A 62 8.483 -2.080 -25.264 1.00 2.73 H new ATOM 0 HE3 LYS A 62 7.430 -3.480 -25.210 1.00 2.73 H new ATOM 0 HZ1 LYS A 62 6.203 -2.544 -23.606 1.00 2.94 H new ATOM 0 HZ2 LYS A 62 7.560 -2.190 -22.649 1.00 2.94 H new ATOM 0 HZ3 LYS A 62 7.066 -1.103 -23.857 1.00 2.94 H new ATOM 999 N GLY A 63 8.221 -4.407 -20.885 1.00 1.18 N ATOM 1000 CA GLY A 63 6.718 -4.286 -20.952 1.00 1.20 C ATOM 1001 C GLY A 63 6.070 -4.748 -19.652 1.00 1.12 C ATOM 1002 O GLY A 63 4.971 -5.261 -19.674 1.00 1.16 O ATOM 0 H GLY A 63 8.582 -5.361 -20.856 1.00 1.18 H new ATOM 0 HA2 GLY A 63 6.442 -3.250 -21.151 1.00 1.20 H new ATOM 0 HA3 GLY A 63 6.339 -4.882 -21.782 1.00 1.20 H new ATOM 1006 N THR A 64 6.751 -4.559 -18.556 1.00 1.11 N ATOM 1007 CA THR A 64 6.172 -4.989 -17.227 1.00 1.13 C ATOM 1008 C THR A 64 5.518 -3.849 -16.465 1.00 0.84 C ATOM 1009 O THR A 64 6.040 -2.753 -16.360 1.00 1.10 O ATOM 1010 CB THR A 64 7.266 -5.575 -16.368 1.00 1.42 C ATOM 1011 OG1 THR A 64 7.690 -6.639 -17.190 1.00 1.69 O ATOM 1012 CG2 THR A 64 6.703 -6.298 -15.160 1.00 1.58 C ATOM 0 H THR A 64 7.676 -4.131 -18.510 1.00 1.11 H new ATOM 0 HA THR A 64 5.400 -5.726 -17.446 1.00 1.13 H new ATOM 0 HB THR A 64 7.981 -4.817 -16.048 1.00 1.42 H new ATOM 0 HG1 THR A 64 8.372 -6.317 -17.815 1.00 1.69 H new ATOM 0 HG21 THR A 64 7.521 -6.706 -14.566 1.00 1.58 H new ATOM 0 HG22 THR A 64 6.128 -5.599 -14.553 1.00 1.58 H new ATOM 0 HG23 THR A 64 6.055 -7.110 -15.491 1.00 1.58 H new ATOM 1020 N SER A 65 4.375 -4.133 -15.911 1.00 0.95 N ATOM 1021 CA SER A 65 3.653 -3.071 -15.152 1.00 0.76 C ATOM 1022 C SER A 65 4.504 -2.456 -14.031 1.00 0.60 C ATOM 1023 O SER A 65 5.301 -3.112 -13.372 1.00 0.44 O ATOM 1024 CB SER A 65 2.397 -3.669 -14.529 1.00 0.93 C ATOM 1025 OG SER A 65 3.000 -4.522 -13.567 1.00 0.45 O ATOM 0 H SER A 65 3.912 -5.041 -15.948 1.00 0.95 H new ATOM 0 HA SER A 65 3.412 -2.279 -15.861 1.00 0.76 H new ATOM 0 HB2 SER A 65 1.753 -2.915 -14.076 1.00 0.93 H new ATOM 0 HB3 SER A 65 1.789 -4.214 -15.251 1.00 0.93 H new ATOM 0 HG SER A 65 2.333 -5.154 -13.226 1.00 0.45 H new ATOM 1031 N LYS A 66 4.280 -1.178 -13.830 1.00 0.81 N ATOM 1032 CA LYS A 66 5.033 -0.450 -12.769 1.00 0.62 C ATOM 1033 C LYS A 66 4.988 -1.342 -11.521 1.00 0.31 C ATOM 1034 O LYS A 66 5.968 -1.704 -10.921 1.00 0.13 O ATOM 1035 CB LYS A 66 4.331 0.912 -12.591 1.00 0.79 C ATOM 1036 CG LYS A 66 4.170 1.531 -14.022 1.00 1.40 C ATOM 1037 CD LYS A 66 4.274 3.059 -14.052 1.00 0.75 C ATOM 1038 CE LYS A 66 5.695 3.490 -13.736 1.00 1.51 C ATOM 1039 NZ LYS A 66 5.843 4.901 -14.203 1.00 2.88 N ATOM 0 H LYS A 66 3.611 -0.614 -14.354 1.00 0.81 H new ATOM 0 HA LYS A 66 6.080 -0.253 -12.999 1.00 0.62 H new ATOM 0 HB2 LYS A 66 3.359 0.786 -12.113 1.00 0.79 H new ATOM 0 HB3 LYS A 66 4.919 1.569 -11.950 1.00 0.79 H new ATOM 0 HG2 LYS A 66 4.934 1.112 -14.677 1.00 1.40 H new ATOM 0 HG3 LYS A 66 3.203 1.234 -14.429 1.00 1.40 H new ATOM 0 HD2 LYS A 66 3.982 3.432 -15.034 1.00 0.75 H new ATOM 0 HD3 LYS A 66 3.584 3.493 -13.328 1.00 0.75 H new ATOM 0 HE2 LYS A 66 5.890 3.416 -12.666 1.00 1.51 H new ATOM 0 HE3 LYS A 66 6.414 2.842 -14.237 1.00 1.51 H new ATOM 0 HZ1 LYS A 66 6.662 5.338 -13.734 1.00 2.88 H new ATOM 0 HZ2 LYS A 66 5.987 4.912 -15.233 1.00 2.88 H new ATOM 0 HZ3 LYS A 66 4.983 5.436 -13.968 1.00 2.88 H new ATOM 1053 N GLU A 67 3.777 -1.667 -11.217 1.00 0.43 N ATOM 1054 CA GLU A 67 3.348 -2.531 -10.076 1.00 0.36 C ATOM 1055 C GLU A 67 4.105 -3.875 -9.942 1.00 0.21 C ATOM 1056 O GLU A 67 4.535 -4.263 -8.874 1.00 0.41 O ATOM 1057 CB GLU A 67 1.867 -2.714 -10.302 1.00 0.45 C ATOM 1058 CG GLU A 67 1.045 -1.459 -9.738 1.00 0.48 C ATOM 1059 CD GLU A 67 0.988 -1.395 -8.194 1.00 1.88 C ATOM 1060 OE1 GLU A 67 1.036 -2.462 -7.598 1.00 3.11 O ATOM 1061 OE2 GLU A 67 0.892 -0.268 -7.719 1.00 3.39 O ATOM 0 H GLU A 67 2.984 -1.337 -11.767 1.00 0.43 H new ATOM 0 HA GLU A 67 3.584 -2.057 -9.123 1.00 0.36 H new ATOM 0 HB2 GLU A 67 1.669 -2.835 -11.367 1.00 0.45 H new ATOM 0 HB3 GLU A 67 1.530 -3.626 -9.810 1.00 0.45 H new ATOM 0 HG2 GLU A 67 1.497 -0.541 -10.114 1.00 0.48 H new ATOM 0 HG3 GLU A 67 0.028 -1.497 -10.129 1.00 0.48 H new ATOM 1068 N ASP A 68 4.289 -4.606 -11.007 1.00 0.11 N ATOM 1069 CA ASP A 68 5.020 -5.906 -10.891 1.00 0.31 C ATOM 1070 C ASP A 68 6.468 -5.642 -10.629 1.00 0.42 C ATOM 1071 O ASP A 68 7.134 -6.325 -9.867 1.00 0.60 O ATOM 1072 CB ASP A 68 4.731 -6.615 -12.180 1.00 0.53 C ATOM 1073 CG ASP A 68 3.389 -7.277 -11.953 1.00 0.50 C ATOM 1074 OD1 ASP A 68 2.403 -6.562 -11.950 1.00 0.96 O ATOM 1075 OD2 ASP A 68 3.387 -8.466 -11.751 1.00 0.98 O ATOM 0 H ASP A 68 3.969 -4.365 -11.945 1.00 0.11 H new ATOM 0 HA ASP A 68 4.706 -6.533 -10.057 1.00 0.31 H new ATOM 0 HB2 ASP A 68 4.694 -5.918 -13.017 1.00 0.53 H new ATOM 0 HB3 ASP A 68 5.502 -7.350 -12.411 1.00 0.53 H new ATOM 1080 N ALA A 69 6.901 -4.610 -11.270 1.00 0.32 N ATOM 1081 CA ALA A 69 8.307 -4.246 -11.078 1.00 0.32 C ATOM 1082 C ALA A 69 8.312 -3.851 -9.588 1.00 0.32 C ATOM 1083 O ALA A 69 9.220 -4.265 -8.917 1.00 0.40 O ATOM 1084 CB ALA A 69 8.587 -3.136 -11.996 1.00 0.27 C ATOM 0 H ALA A 69 6.359 -4.019 -11.900 1.00 0.32 H new ATOM 0 HA ALA A 69 9.064 -5.002 -11.286 1.00 0.32 H new ATOM 0 HB1 ALA A 69 9.627 -2.829 -11.889 1.00 0.27 H new ATOM 0 HB2 ALA A 69 8.408 -3.458 -13.022 1.00 0.27 H new ATOM 0 HB3 ALA A 69 7.934 -2.295 -11.760 1.00 0.27 H new ATOM 1090 N MET A 70 7.354 -3.092 -9.101 1.00 0.24 N ATOM 1091 CA MET A 70 7.315 -2.706 -7.650 1.00 0.22 C ATOM 1092 C MET A 70 7.446 -3.975 -6.804 1.00 0.25 C ATOM 1093 O MET A 70 8.346 -4.032 -6.005 1.00 0.20 O ATOM 1094 CB MET A 70 5.960 -2.003 -7.276 1.00 0.17 C ATOM 1095 CG MET A 70 5.763 -0.628 -7.957 1.00 0.25 C ATOM 1096 SD MET A 70 4.075 0.026 -7.941 1.00 0.47 S ATOM 1097 CE MET A 70 4.331 1.631 -7.149 1.00 2.13 C ATOM 0 H MET A 70 6.585 -2.718 -9.657 1.00 0.24 H new ATOM 0 HA MET A 70 8.132 -2.011 -7.459 1.00 0.22 H new ATOM 0 HB2 MET A 70 5.133 -2.657 -7.553 1.00 0.17 H new ATOM 0 HB3 MET A 70 5.915 -1.873 -6.195 1.00 0.17 H new ATOM 0 HG2 MET A 70 6.417 0.095 -7.469 1.00 0.25 H new ATOM 0 HG3 MET A 70 6.092 -0.707 -8.993 1.00 0.25 H new ATOM 0 HE1 MET A 70 3.439 2.245 -7.274 1.00 2.13 H new ATOM 0 HE2 MET A 70 4.526 1.485 -6.086 1.00 2.13 H new ATOM 0 HE3 MET A 70 5.183 2.132 -7.609 1.00 2.13 H new ATOM 1107 N LYS A 71 6.581 -4.938 -7.001 1.00 0.35 N ATOM 1108 CA LYS A 71 6.647 -6.204 -6.216 1.00 0.41 C ATOM 1109 C LYS A 71 8.120 -6.695 -6.183 1.00 0.43 C ATOM 1110 O LYS A 71 8.725 -6.789 -5.137 1.00 0.44 O ATOM 1111 CB LYS A 71 5.710 -7.276 -6.877 1.00 0.48 C ATOM 1112 CG LYS A 71 4.219 -6.824 -6.737 1.00 0.57 C ATOM 1113 CD LYS A 71 3.232 -7.925 -7.266 1.00 2.37 C ATOM 1114 CE LYS A 71 3.250 -8.041 -8.803 1.00 3.48 C ATOM 1115 NZ LYS A 71 2.433 -6.926 -9.397 1.00 3.31 N ATOM 0 H LYS A 71 5.823 -4.898 -7.682 1.00 0.35 H new ATOM 0 HA LYS A 71 6.308 -6.038 -5.193 1.00 0.41 H new ATOM 0 HB2 LYS A 71 5.966 -7.399 -7.929 1.00 0.48 H new ATOM 0 HB3 LYS A 71 5.854 -8.245 -6.398 1.00 0.48 H new ATOM 0 HG2 LYS A 71 3.999 -6.609 -5.691 1.00 0.57 H new ATOM 0 HG3 LYS A 71 4.065 -5.899 -7.292 1.00 0.57 H new ATOM 0 HD2 LYS A 71 3.497 -8.887 -6.829 1.00 2.37 H new ATOM 0 HD3 LYS A 71 2.220 -7.692 -6.934 1.00 2.37 H new ATOM 0 HE2 LYS A 71 4.275 -7.992 -9.171 1.00 3.48 H new ATOM 0 HE3 LYS A 71 2.847 -9.006 -9.111 1.00 3.48 H new ATOM 0 HZ1 LYS A 71 2.144 -7.183 -10.362 1.00 3.31 H new ATOM 0 HZ2 LYS A 71 1.587 -6.767 -8.813 1.00 3.31 H new ATOM 0 HZ3 LYS A 71 3.002 -6.056 -9.426 1.00 3.31 H new ATOM 1129 N ALA A 72 8.689 -6.975 -7.328 1.00 0.45 N ATOM 1130 CA ALA A 72 10.103 -7.454 -7.354 1.00 0.54 C ATOM 1131 C ALA A 72 11.117 -6.406 -6.781 1.00 0.40 C ATOM 1132 O ALA A 72 12.026 -6.786 -6.072 1.00 0.27 O ATOM 1133 CB ALA A 72 10.309 -7.824 -8.809 1.00 0.65 C ATOM 0 H ALA A 72 8.239 -6.893 -8.240 1.00 0.45 H new ATOM 0 HA ALA A 72 10.290 -8.303 -6.697 1.00 0.54 H new ATOM 0 HB1 ALA A 72 11.325 -8.193 -8.950 1.00 0.65 H new ATOM 0 HB2 ALA A 72 9.598 -8.600 -9.091 1.00 0.65 H new ATOM 0 HB3 ALA A 72 10.153 -6.945 -9.434 1.00 0.65 H new ATOM 1139 N TYR A 73 10.954 -5.140 -7.083 1.00 0.41 N ATOM 1140 CA TYR A 73 11.874 -4.089 -6.568 1.00 0.31 C ATOM 1141 C TYR A 73 11.862 -4.191 -5.060 1.00 0.27 C ATOM 1142 O TYR A 73 12.884 -4.393 -4.446 1.00 0.24 O ATOM 1143 CB TYR A 73 11.375 -2.690 -6.959 1.00 0.29 C ATOM 1144 CG TYR A 73 12.306 -1.610 -6.363 1.00 0.28 C ATOM 1145 CD1 TYR A 73 13.607 -1.506 -6.813 1.00 2.58 C ATOM 1146 CD2 TYR A 73 11.869 -0.714 -5.396 1.00 2.18 C ATOM 1147 CE1 TYR A 73 14.445 -0.534 -6.312 1.00 2.59 C ATOM 1148 CE2 TYR A 73 12.729 0.261 -4.908 1.00 2.13 C ATOM 1149 CZ TYR A 73 14.020 0.354 -5.365 1.00 0.31 C ATOM 1150 OH TYR A 73 14.881 1.325 -4.893 1.00 0.34 O ATOM 0 H TYR A 73 10.204 -4.789 -7.678 1.00 0.41 H new ATOM 0 HA TYR A 73 12.871 -4.233 -6.984 1.00 0.31 H new ATOM 0 HB2 TYR A 73 11.344 -2.596 -8.045 1.00 0.29 H new ATOM 0 HB3 TYR A 73 10.357 -2.544 -6.597 1.00 0.29 H new ATOM 0 HD1 TYR A 73 13.971 -2.192 -7.564 1.00 2.58 H new ATOM 0 HD2 TYR A 73 10.858 -0.776 -5.023 1.00 2.18 H new ATOM 0 HE1 TYR A 73 15.460 -0.473 -6.676 1.00 2.59 H new ATOM 0 HE2 TYR A 73 12.377 0.955 -4.159 1.00 2.13 H new ATOM 0 HH TYR A 73 15.520 1.566 -5.596 1.00 0.34 H new ATOM 1160 N ILE A 74 10.673 -4.058 -4.545 1.00 0.30 N ATOM 1161 CA ILE A 74 10.429 -4.110 -3.082 1.00 0.32 C ATOM 1162 C ILE A 74 10.910 -5.447 -2.509 1.00 0.35 C ATOM 1163 O ILE A 74 11.411 -5.465 -1.406 1.00 0.46 O ATOM 1164 CB ILE A 74 8.929 -3.923 -2.814 1.00 0.39 C ATOM 1165 CG1 ILE A 74 8.507 -2.549 -3.370 1.00 0.45 C ATOM 1166 CG2 ILE A 74 8.742 -3.842 -1.271 1.00 0.43 C ATOM 1167 CD1 ILE A 74 6.980 -2.507 -3.442 1.00 0.72 C ATOM 0 H ILE A 74 9.831 -3.910 -5.102 1.00 0.30 H new ATOM 0 HA ILE A 74 10.986 -3.310 -2.594 1.00 0.32 H new ATOM 0 HB ILE A 74 8.354 -4.733 -3.263 1.00 0.39 H new ATOM 0 HG12 ILE A 74 8.879 -1.750 -2.729 1.00 0.45 H new ATOM 0 HG13 ILE A 74 8.938 -2.391 -4.359 1.00 0.45 H new ATOM 0 HG21 ILE A 74 7.685 -3.709 -1.039 1.00 0.43 H new ATOM 0 HG22 ILE A 74 9.101 -4.763 -0.812 1.00 0.43 H new ATOM 0 HG23 ILE A 74 9.309 -2.997 -0.880 1.00 0.43 H new ATOM 0 HD11 ILE A 74 6.661 -1.541 -3.834 1.00 0.72 H new ATOM 0 HD12 ILE A 74 6.625 -3.301 -4.099 1.00 0.72 H new ATOM 0 HD13 ILE A 74 6.565 -2.649 -2.444 1.00 0.72 H new ATOM 1179 N ASP A 75 10.761 -6.509 -3.262 1.00 0.63 N ATOM 1180 CA ASP A 75 11.214 -7.848 -2.770 1.00 0.67 C ATOM 1181 C ASP A 75 12.723 -7.670 -2.661 1.00 0.51 C ATOM 1182 O ASP A 75 13.289 -7.688 -1.597 1.00 0.79 O ATOM 1183 CB ASP A 75 10.812 -8.856 -3.822 1.00 1.00 C ATOM 1184 CG ASP A 75 9.572 -9.639 -3.437 1.00 1.31 C ATOM 1185 OD1 ASP A 75 8.591 -8.991 -3.131 1.00 1.25 O ATOM 1186 OD2 ASP A 75 9.690 -10.850 -3.486 1.00 1.70 O ATOM 0 H ASP A 75 10.346 -6.507 -4.194 1.00 0.63 H new ATOM 0 HA ASP A 75 10.795 -8.190 -1.824 1.00 0.67 H new ATOM 0 HB2 ASP A 75 10.633 -8.339 -4.765 1.00 1.00 H new ATOM 0 HB3 ASP A 75 11.637 -9.549 -3.990 1.00 1.00 H new ATOM 1191 N LYS A 76 13.338 -7.572 -3.802 1.00 0.69 N ATOM 1192 CA LYS A 76 14.818 -7.352 -3.817 1.00 0.53 C ATOM 1193 C LYS A 76 15.214 -6.422 -2.657 1.00 0.44 C ATOM 1194 O LYS A 76 16.053 -6.816 -1.873 1.00 0.33 O ATOM 1195 CB LYS A 76 15.236 -6.760 -5.174 1.00 0.53 C ATOM 1196 CG LYS A 76 16.722 -7.194 -5.407 1.00 0.56 C ATOM 1197 CD LYS A 76 16.659 -8.732 -5.701 1.00 0.68 C ATOM 1198 CE LYS A 76 17.961 -9.495 -5.668 1.00 2.03 C ATOM 1199 NZ LYS A 76 18.486 -9.511 -4.268 1.00 3.01 N ATOM 0 H LYS A 76 12.892 -7.633 -4.718 1.00 0.69 H new ATOM 0 HA LYS A 76 15.337 -8.301 -3.684 1.00 0.53 H new ATOM 0 HB2 LYS A 76 14.594 -7.130 -5.973 1.00 0.53 H new ATOM 0 HB3 LYS A 76 15.145 -5.674 -5.168 1.00 0.53 H new ATOM 0 HG2 LYS A 76 17.165 -6.651 -6.242 1.00 0.56 H new ATOM 0 HG3 LYS A 76 17.335 -6.985 -4.530 1.00 0.56 H new ATOM 0 HD2 LYS A 76 15.983 -9.187 -4.977 1.00 0.68 H new ATOM 0 HD3 LYS A 76 16.212 -8.870 -6.685 1.00 0.68 H new ATOM 0 HE2 LYS A 76 17.808 -10.514 -6.024 1.00 2.03 H new ATOM 0 HE3 LYS A 76 18.686 -9.030 -6.336 1.00 2.03 H new ATOM 0 HZ1 LYS A 76 19.467 -9.165 -4.261 1.00 3.01 H new ATOM 0 HZ2 LYS A 76 17.898 -8.896 -3.670 1.00 3.01 H new ATOM 0 HZ3 LYS A 76 18.459 -10.483 -3.898 1.00 3.01 H new ATOM 1213 N VAL A 77 14.629 -5.247 -2.547 1.00 0.48 N ATOM 1214 CA VAL A 77 14.943 -4.268 -1.428 1.00 0.45 C ATOM 1215 C VAL A 77 14.934 -5.080 -0.116 1.00 0.42 C ATOM 1216 O VAL A 77 15.737 -4.891 0.773 1.00 0.50 O ATOM 1217 CB VAL A 77 13.863 -3.142 -1.446 1.00 0.62 C ATOM 1218 CG1 VAL A 77 14.037 -2.237 -0.205 1.00 0.70 C ATOM 1219 CG2 VAL A 77 14.137 -2.231 -2.689 1.00 0.55 C ATOM 0 H VAL A 77 13.925 -4.909 -3.203 1.00 0.48 H new ATOM 0 HA VAL A 77 15.914 -3.786 -1.538 1.00 0.45 H new ATOM 0 HB VAL A 77 12.871 -3.593 -1.467 1.00 0.62 H new ATOM 0 HG11 VAL A 77 13.282 -1.451 -0.219 1.00 0.70 H new ATOM 0 HG12 VAL A 77 13.922 -2.834 0.700 1.00 0.70 H new ATOM 0 HG13 VAL A 77 15.030 -1.787 -0.219 1.00 0.70 H new ATOM 0 HG21 VAL A 77 13.395 -1.433 -2.726 1.00 0.55 H new ATOM 0 HG22 VAL A 77 15.133 -1.796 -2.609 1.00 0.55 H new ATOM 0 HG23 VAL A 77 14.074 -2.828 -3.599 1.00 0.55 H new ATOM 1229 N GLU A 78 13.988 -5.971 -0.037 1.00 0.68 N ATOM 1230 CA GLU A 78 13.852 -6.861 1.140 1.00 0.68 C ATOM 1231 C GLU A 78 15.006 -7.909 1.170 1.00 0.60 C ATOM 1232 O GLU A 78 15.670 -8.033 2.182 1.00 0.53 O ATOM 1233 CB GLU A 78 12.461 -7.529 1.075 1.00 0.70 C ATOM 1234 CG GLU A 78 11.713 -7.183 2.389 1.00 1.12 C ATOM 1235 CD GLU A 78 12.414 -7.925 3.541 1.00 3.63 C ATOM 1236 OE1 GLU A 78 12.646 -9.109 3.360 1.00 5.61 O ATOM 1237 OE2 GLU A 78 12.693 -7.316 4.554 1.00 3.50 O ATOM 0 H GLU A 78 13.286 -6.121 -0.761 1.00 0.68 H new ATOM 0 HA GLU A 78 13.930 -6.290 2.065 1.00 0.68 H new ATOM 0 HB2 GLU A 78 11.903 -7.169 0.211 1.00 0.70 H new ATOM 0 HB3 GLU A 78 12.560 -8.609 0.963 1.00 0.70 H new ATOM 0 HG2 GLU A 78 11.726 -6.107 2.564 1.00 1.12 H new ATOM 0 HG3 GLU A 78 10.667 -7.482 2.323 1.00 1.12 H new ATOM 1244 N GLU A 79 15.255 -8.636 0.102 1.00 0.59 N ATOM 1245 CA GLU A 79 16.385 -9.661 0.094 1.00 0.58 C ATOM 1246 C GLU A 79 17.646 -8.931 0.623 1.00 0.39 C ATOM 1247 O GLU A 79 18.448 -9.414 1.395 1.00 0.47 O ATOM 1248 CB GLU A 79 16.731 -10.142 -1.329 1.00 0.64 C ATOM 1249 CG GLU A 79 15.834 -11.268 -1.916 1.00 1.13 C ATOM 1250 CD GLU A 79 16.306 -11.557 -3.357 1.00 3.54 C ATOM 1251 OE1 GLU A 79 17.447 -11.984 -3.464 1.00 4.33 O ATOM 1252 OE2 GLU A 79 15.543 -11.330 -4.280 1.00 4.69 O ATOM 0 H GLU A 79 14.731 -8.573 -0.771 1.00 0.59 H new ATOM 0 HA GLU A 79 16.078 -10.520 0.690 1.00 0.58 H new ATOM 0 HB2 GLU A 79 16.685 -9.284 -2.000 1.00 0.64 H new ATOM 0 HB3 GLU A 79 17.763 -10.492 -1.330 1.00 0.64 H new ATOM 0 HG2 GLU A 79 15.905 -12.168 -1.305 1.00 1.13 H new ATOM 0 HG3 GLU A 79 14.788 -10.962 -1.913 1.00 1.13 H new ATOM 1259 N LEU A 80 17.727 -7.724 0.132 1.00 0.16 N ATOM 1260 CA LEU A 80 18.831 -6.787 0.462 1.00 0.19 C ATOM 1261 C LEU A 80 18.751 -6.455 1.940 1.00 0.44 C ATOM 1262 O LEU A 80 19.734 -6.537 2.636 1.00 0.60 O ATOM 1263 CB LEU A 80 18.692 -5.490 -0.327 1.00 0.14 C ATOM 1264 CG LEU A 80 19.059 -5.633 -1.791 1.00 0.20 C ATOM 1265 CD1 LEU A 80 19.107 -4.217 -2.342 1.00 0.73 C ATOM 1266 CD2 LEU A 80 20.451 -6.238 -1.912 1.00 0.26 C ATOM 0 H LEU A 80 17.039 -7.336 -0.513 1.00 0.16 H new ATOM 0 HA LEU A 80 19.782 -7.257 0.211 1.00 0.19 H new ATOM 0 HB2 LEU A 80 17.664 -5.136 -0.251 1.00 0.14 H new ATOM 0 HB3 LEU A 80 19.326 -4.728 0.126 1.00 0.14 H new ATOM 0 HG LEU A 80 18.348 -6.268 -2.320 1.00 0.20 H new ATOM 0 HD11 LEU A 80 19.368 -4.247 -3.400 1.00 0.73 H new ATOM 0 HD12 LEU A 80 18.131 -3.747 -2.222 1.00 0.73 H new ATOM 0 HD13 LEU A 80 19.857 -3.641 -1.800 1.00 0.73 H new ATOM 0 HD21 LEU A 80 20.713 -6.340 -2.965 1.00 0.26 H new ATOM 0 HD22 LEU A 80 21.174 -5.588 -1.419 1.00 0.26 H new ATOM 0 HD23 LEU A 80 20.464 -7.220 -1.438 1.00 0.26 H new ATOM 1278 N LYS A 81 17.588 -6.069 2.376 1.00 0.56 N ATOM 1279 CA LYS A 81 17.363 -5.721 3.813 1.00 0.86 C ATOM 1280 C LYS A 81 17.898 -6.872 4.683 1.00 0.91 C ATOM 1281 O LYS A 81 18.682 -6.648 5.583 1.00 1.20 O ATOM 1282 CB LYS A 81 15.847 -5.488 3.936 1.00 1.13 C ATOM 1283 CG LYS A 81 15.500 -4.725 5.213 1.00 1.82 C ATOM 1284 CD LYS A 81 14.052 -4.158 5.045 1.00 2.58 C ATOM 1285 CE LYS A 81 13.647 -3.296 6.246 1.00 2.99 C ATOM 1286 NZ LYS A 81 14.521 -2.104 6.238 1.00 4.65 N ATOM 0 H LYS A 81 16.761 -5.976 1.786 1.00 0.56 H new ATOM 0 HA LYS A 81 17.888 -4.828 4.153 1.00 0.86 H new ATOM 0 HB2 LYS A 81 15.492 -4.930 3.070 1.00 1.13 H new ATOM 0 HB3 LYS A 81 15.329 -6.447 3.932 1.00 1.13 H new ATOM 0 HG2 LYS A 81 15.555 -5.384 6.080 1.00 1.82 H new ATOM 0 HG3 LYS A 81 16.211 -3.916 5.381 1.00 1.82 H new ATOM 0 HD2 LYS A 81 13.996 -3.564 4.133 1.00 2.58 H new ATOM 0 HD3 LYS A 81 13.348 -4.982 4.932 1.00 2.58 H new ATOM 0 HE2 LYS A 81 12.599 -3.006 6.176 1.00 2.99 H new ATOM 0 HE3 LYS A 81 13.762 -3.852 7.176 1.00 2.99 H new ATOM 0 HZ1 LYS A 81 14.116 -1.372 6.856 1.00 4.65 H new ATOM 0 HZ2 LYS A 81 15.466 -2.364 6.584 1.00 4.65 H new ATOM 0 HZ3 LYS A 81 14.597 -1.736 5.268 1.00 4.65 H new ATOM 1300 N LYS A 82 17.454 -8.060 4.345 1.00 0.71 N ATOM 1301 CA LYS A 82 17.853 -9.307 5.061 1.00 0.78 C ATOM 1302 C LYS A 82 19.365 -9.524 5.000 1.00 0.76 C ATOM 1303 O LYS A 82 19.983 -9.976 5.939 1.00 0.84 O ATOM 1304 CB LYS A 82 17.166 -10.538 4.433 1.00 0.76 C ATOM 1305 CG LYS A 82 15.696 -10.656 4.868 1.00 0.73 C ATOM 1306 CD LYS A 82 15.111 -11.847 4.050 1.00 0.83 C ATOM 1307 CE LYS A 82 13.750 -12.351 4.554 1.00 1.27 C ATOM 1308 NZ LYS A 82 12.850 -11.178 4.720 1.00 3.03 N ATOM 0 H LYS A 82 16.807 -8.217 3.572 1.00 0.71 H new ATOM 0 HA LYS A 82 17.543 -9.190 6.099 1.00 0.78 H new ATOM 0 HB2 LYS A 82 17.219 -10.469 3.346 1.00 0.76 H new ATOM 0 HB3 LYS A 82 17.704 -11.441 4.722 1.00 0.76 H new ATOM 0 HG2 LYS A 82 15.618 -10.841 5.939 1.00 0.73 H new ATOM 0 HG3 LYS A 82 15.151 -9.734 4.663 1.00 0.73 H new ATOM 0 HD2 LYS A 82 15.010 -11.542 3.008 1.00 0.83 H new ATOM 0 HD3 LYS A 82 15.822 -12.673 4.073 1.00 0.83 H new ATOM 0 HE2 LYS A 82 13.322 -13.061 3.846 1.00 1.27 H new ATOM 0 HE3 LYS A 82 13.867 -12.877 5.501 1.00 1.27 H new ATOM 0 HZ1 LYS A 82 11.867 -11.467 4.541 1.00 3.03 H new ATOM 0 HZ2 LYS A 82 12.932 -10.812 5.690 1.00 3.03 H new ATOM 0 HZ3 LYS A 82 13.121 -10.434 4.045 1.00 3.03 H new ATOM 1322 N LYS A 83 19.908 -9.198 3.863 1.00 0.70 N ATOM 1323 CA LYS A 83 21.385 -9.333 3.594 1.00 0.76 C ATOM 1324 C LYS A 83 22.267 -8.309 4.330 1.00 0.97 C ATOM 1325 O LYS A 83 23.263 -8.662 4.923 1.00 1.11 O ATOM 1326 CB LYS A 83 21.649 -9.180 2.078 1.00 0.55 C ATOM 1327 CG LYS A 83 21.209 -10.423 1.313 1.00 0.42 C ATOM 1328 CD LYS A 83 21.012 -10.031 -0.171 1.00 0.46 C ATOM 1329 CE LYS A 83 20.818 -11.292 -0.976 1.00 0.75 C ATOM 1330 NZ LYS A 83 22.165 -11.888 -1.225 1.00 1.46 N ATOM 0 H LYS A 83 19.377 -8.829 3.074 1.00 0.70 H new ATOM 0 HA LYS A 83 21.658 -10.320 3.968 1.00 0.76 H new ATOM 0 HB2 LYS A 83 21.115 -8.309 1.699 1.00 0.55 H new ATOM 0 HB3 LYS A 83 22.711 -9.002 1.907 1.00 0.55 H new ATOM 0 HG2 LYS A 83 21.958 -11.210 1.402 1.00 0.42 H new ATOM 0 HG3 LYS A 83 20.282 -10.817 1.729 1.00 0.42 H new ATOM 0 HD2 LYS A 83 20.147 -9.376 -0.278 1.00 0.46 H new ATOM 0 HD3 LYS A 83 21.878 -9.478 -0.535 1.00 0.46 H new ATOM 0 HE2 LYS A 83 20.183 -11.995 -0.437 1.00 0.75 H new ATOM 0 HE3 LYS A 83 20.319 -11.070 -1.919 1.00 0.75 H new ATOM 0 HZ1 LYS A 83 22.054 -12.826 -1.660 1.00 1.46 H new ATOM 0 HZ2 LYS A 83 22.705 -11.271 -1.865 1.00 1.46 H new ATOM 0 HZ3 LYS A 83 22.675 -11.982 -0.324 1.00 1.46 H new ATOM 1344 N TYR A 84 21.899 -7.064 4.278 1.00 0.99 N ATOM 1345 CA TYR A 84 22.707 -5.995 4.958 1.00 1.16 C ATOM 1346 C TYR A 84 22.253 -5.523 6.359 1.00 1.36 C ATOM 1347 O TYR A 84 23.104 -5.082 7.108 1.00 2.24 O ATOM 1348 CB TYR A 84 22.782 -4.835 3.900 1.00 0.94 C ATOM 1349 CG TYR A 84 23.399 -5.494 2.635 1.00 0.82 C ATOM 1350 CD1 TYR A 84 24.717 -5.909 2.676 1.00 2.38 C ATOM 1351 CD2 TYR A 84 22.679 -5.726 1.468 1.00 2.60 C ATOM 1352 CE1 TYR A 84 25.296 -6.538 1.594 1.00 2.56 C ATOM 1353 CE2 TYR A 84 23.272 -6.359 0.394 1.00 2.39 C ATOM 1354 CZ TYR A 84 24.574 -6.761 0.455 1.00 0.80 C ATOM 1355 OH TYR A 84 25.160 -7.382 -0.623 1.00 0.89 O ATOM 0 H TYR A 84 21.067 -6.729 3.792 1.00 0.99 H new ATOM 0 HA TYR A 84 23.679 -6.407 5.231 1.00 1.16 H new ATOM 0 HB2 TYR A 84 21.794 -4.425 3.691 1.00 0.94 H new ATOM 0 HB3 TYR A 84 23.399 -4.011 4.259 1.00 0.94 H new ATOM 0 HD1 TYR A 84 25.301 -5.738 3.568 1.00 2.38 H new ATOM 0 HD2 TYR A 84 21.649 -5.409 1.401 1.00 2.60 H new ATOM 0 HE1 TYR A 84 26.327 -6.856 1.647 1.00 2.56 H new ATOM 0 HE2 TYR A 84 22.699 -6.538 -0.504 1.00 2.39 H new ATOM 0 HH TYR A 84 24.472 -7.614 -1.281 1.00 0.89 H new ATOM 1365 N GLY A 85 20.991 -5.611 6.721 1.00 1.18 N ATOM 1366 CA GLY A 85 20.576 -5.154 8.099 1.00 1.11 C ATOM 1367 C GLY A 85 19.845 -3.846 8.364 1.00 1.53 C ATOM 1368 O GLY A 85 20.021 -3.325 9.446 1.00 2.38 O ATOM 0 H GLY A 85 20.238 -5.973 6.135 1.00 1.18 H new ATOM 0 HA2 GLY A 85 19.948 -5.945 8.509 1.00 1.11 H new ATOM 0 HA3 GLY A 85 21.485 -5.125 8.700 1.00 1.11 H new ATOM 1372 N ILE A 86 19.064 -3.311 7.464 1.00 1.09 N ATOM 1373 CA ILE A 86 18.369 -2.034 7.805 1.00 1.53 C ATOM 1374 C ILE A 86 16.858 -2.335 7.992 1.00 2.29 C ATOM 1375 O ILE A 86 16.420 -3.425 7.664 1.00 2.41 O ATOM 1376 CB ILE A 86 18.658 -1.025 6.638 1.00 0.84 C ATOM 1377 CG1 ILE A 86 18.219 0.348 7.164 1.00 0.89 C ATOM 1378 CG2 ILE A 86 17.819 -1.343 5.371 1.00 1.00 C ATOM 1379 CD1 ILE A 86 18.593 1.467 6.200 1.00 1.09 C ATOM 1380 OXT ILE A 86 16.146 -1.467 8.461 1.00 3.02 O ATOM 0 H ILE A 86 18.880 -3.688 6.534 1.00 1.09 H new ATOM 0 HA ILE A 86 18.723 -1.590 8.735 1.00 1.53 H new ATOM 0 HB ILE A 86 19.710 -1.074 6.357 1.00 0.84 H new ATOM 0 HG12 ILE A 86 17.141 0.349 7.322 1.00 0.89 H new ATOM 0 HG13 ILE A 86 18.683 0.532 8.133 1.00 0.89 H new ATOM 0 HG21 ILE A 86 18.052 -0.620 4.590 1.00 1.00 H new ATOM 0 HG22 ILE A 86 18.058 -2.347 5.019 1.00 1.00 H new ATOM 0 HG23 ILE A 86 16.758 -1.286 5.614 1.00 1.00 H new ATOM 0 HD11 ILE A 86 18.265 2.423 6.608 1.00 1.09 H new ATOM 0 HD12 ILE A 86 19.674 1.482 6.062 1.00 1.09 H new ATOM 0 HD13 ILE A 86 18.107 1.297 5.239 1.00 1.09 H new