USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=26 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 -60:sc= 0.876 USER MOD Set 1.2: A 30 HIS : no HE2:sc= -6.58 K(o=-5.7,f=-15!) USER MOD Set 2.1: A 28 TYR OH : rot 30:sc= 0.668 USER MOD Set 2.2: A 32 LYS NZ :NH3+ -114:sc= 0.666 (180deg=0.697) USER MOD Set 2.3: A 54 LYS NZ :NH3+ -135:sc= 1.27 (180deg=0.168) USER MOD Single : A 7 LYS NZ :NH3+ -154:sc= -0.813! (180deg=-1.67!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HE2:sc= -0.241! C(o=-0.24!,f=-5.6!) USER MOD Single : A 16 LYS NZ :NH3+ -178:sc= -1.2! (180deg=-1.34!) USER MOD Single : A 17 THR OG1 : rot 124:sc= 0.244 USER MOD Single : A 18 LYS NZ :NH3+ -166:sc= -0.031 (180deg=-0.373) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN :FLIP amide:sc= -3.5 F(o=-4.2!,f=-3.5) USER MOD Single : A 35 THR OG1 : rot -84:sc= 0.811 USER MOD Single : A 40 ASN : amide:sc= -0.472! C(o=-0.47!,f=-5.1!) USER MOD Single : A 41 THR OG1 : rot -10:sc= 0.674! USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -121:sc= 0.405 (180deg=-0.613) USER MOD Single : A 52 LYS NZ :NH3+ -128:sc= -3.67! (180deg=-6.65!) USER MOD Single : A 59 ASN : amide:sc=-0.00342 K(o=-0.0034,f=-2.5!) USER MOD Single : A 62 LYS NZ :NH3+ 143:sc= 0.807 (180deg=-1.58!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl -120:sc= -0.226 (180deg=-1.38) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 100:sc= -1.08 USER MOD Single : A 76 LYS NZ :NH3+ 171:sc= -3.25! (180deg=-3.34!) USER MOD Single : A 81 LYS NZ :NH3+ -107:sc= -3.22! (180deg=-5.96!) USER MOD Single : A 82 LYS NZ :NH3+ -168:sc= -2.12! (180deg=-2.38!) USER MOD Single : A 83 LYS NZ :NH3+ -119:sc= -1.53! (180deg=-4.36!) USER MOD Single : A 84 TYR OH : rot 164:sc= 0.938 USER MOD ----------------------------------------------------------------- ATOM 31 N ALA A 3 3.663 4.962 -3.205 1.00 1.81 N ATOM 32 CA ALA A 3 4.349 5.279 -1.907 1.00 1.48 C ATOM 33 C ALA A 3 5.264 4.195 -1.260 1.00 1.33 C ATOM 34 O ALA A 3 6.313 4.535 -0.764 1.00 1.35 O ATOM 35 CB ALA A 3 3.243 5.693 -0.927 1.00 1.16 C ATOM 0 HA ALA A 3 5.073 6.060 -2.139 1.00 1.48 H new ATOM 0 HB1 ALA A 3 3.685 5.936 0.039 1.00 1.16 H new ATOM 0 HB2 ALA A 3 2.720 6.566 -1.317 1.00 1.16 H new ATOM 0 HB3 ALA A 3 2.537 4.871 -0.806 1.00 1.16 H new ATOM 41 N GLU A 4 4.865 2.947 -1.323 1.00 1.30 N ATOM 42 CA GLU A 4 5.642 1.835 -0.720 1.00 1.20 C ATOM 43 C GLU A 4 6.834 1.340 -1.505 1.00 0.78 C ATOM 44 O GLU A 4 7.781 0.788 -0.978 1.00 0.43 O ATOM 45 CB GLU A 4 4.619 0.727 -0.451 1.00 1.37 C ATOM 46 CG GLU A 4 3.881 0.953 0.921 1.00 1.81 C ATOM 47 CD GLU A 4 4.860 1.099 2.104 1.00 4.17 C ATOM 48 OE1 GLU A 4 5.322 2.217 2.264 1.00 5.63 O ATOM 49 OE2 GLU A 4 5.105 0.109 2.773 1.00 4.96 O ATOM 0 H GLU A 4 4.004 2.652 -1.784 1.00 1.30 H new ATOM 0 HA GLU A 4 6.127 2.199 0.185 1.00 1.20 H new ATOM 0 HB2 GLU A 4 3.888 0.699 -1.259 1.00 1.37 H new ATOM 0 HB3 GLU A 4 5.121 -0.240 -0.442 1.00 1.37 H new ATOM 0 HG2 GLU A 4 3.262 1.848 0.854 1.00 1.81 H new ATOM 0 HG3 GLU A 4 3.210 0.115 1.111 1.00 1.81 H new ATOM 56 N PHE A 5 6.754 1.566 -2.761 1.00 0.91 N ATOM 57 CA PHE A 5 7.832 1.164 -3.683 1.00 0.56 C ATOM 58 C PHE A 5 8.824 2.302 -3.532 1.00 0.52 C ATOM 59 O PHE A 5 10.002 2.113 -3.272 1.00 0.40 O ATOM 60 CB PHE A 5 7.192 1.099 -5.022 1.00 0.64 C ATOM 61 CG PHE A 5 8.278 1.402 -6.050 1.00 0.53 C ATOM 62 CD1 PHE A 5 9.117 0.417 -6.487 1.00 2.30 C ATOM 63 CD2 PHE A 5 8.443 2.688 -6.509 1.00 2.50 C ATOM 64 CE1 PHE A 5 10.125 0.708 -7.376 1.00 2.50 C ATOM 65 CE2 PHE A 5 9.446 2.989 -7.397 1.00 2.32 C ATOM 66 CZ PHE A 5 10.290 1.997 -7.834 1.00 0.54 C ATOM 0 H PHE A 5 5.963 2.028 -3.210 1.00 0.91 H new ATOM 0 HA PHE A 5 8.328 0.209 -3.511 1.00 0.56 H new ATOM 0 HB2 PHE A 5 6.761 0.113 -5.196 1.00 0.64 H new ATOM 0 HB3 PHE A 5 6.378 1.821 -5.096 1.00 0.64 H new ATOM 0 HD1 PHE A 5 8.988 -0.595 -6.133 1.00 2.30 H new ATOM 0 HD2 PHE A 5 7.778 3.468 -6.168 1.00 2.50 H new ATOM 0 HE1 PHE A 5 10.788 -0.074 -7.715 1.00 2.50 H new ATOM 0 HE2 PHE A 5 9.571 4.002 -7.751 1.00 2.32 H new ATOM 0 HZ PHE A 5 11.080 2.227 -8.534 1.00 0.54 H new ATOM 76 N ASP A 6 8.253 3.462 -3.724 1.00 0.64 N ATOM 77 CA ASP A 6 9.057 4.676 -3.605 1.00 0.72 C ATOM 78 C ASP A 6 9.729 4.576 -2.260 1.00 0.45 C ATOM 79 O ASP A 6 10.920 4.716 -2.179 1.00 0.51 O ATOM 80 CB ASP A 6 8.058 5.794 -3.786 1.00 1.03 C ATOM 81 CG ASP A 6 7.685 5.833 -5.257 1.00 1.77 C ATOM 82 OD1 ASP A 6 8.519 6.125 -6.088 1.00 4.03 O ATOM 83 OD2 ASP A 6 6.541 5.555 -5.532 1.00 0.28 O ATOM 0 H ASP A 6 7.270 3.604 -3.956 1.00 0.64 H new ATOM 0 HA ASP A 6 9.857 4.840 -4.327 1.00 0.72 H new ATOM 0 HB2 ASP A 6 7.175 5.624 -3.170 1.00 1.03 H new ATOM 0 HB3 ASP A 6 8.486 6.746 -3.473 1.00 1.03 H new ATOM 88 N LYS A 7 8.958 4.290 -1.258 1.00 0.32 N ATOM 89 CA LYS A 7 9.510 4.156 0.141 1.00 0.20 C ATOM 90 C LYS A 7 10.701 3.162 0.161 1.00 0.22 C ATOM 91 O LYS A 7 11.663 3.347 0.881 1.00 0.37 O ATOM 92 CB LYS A 7 8.435 3.618 1.116 1.00 0.48 C ATOM 93 CG LYS A 7 9.046 3.542 2.544 1.00 0.66 C ATOM 94 CD LYS A 7 8.195 2.621 3.477 1.00 1.68 C ATOM 95 CE LYS A 7 9.028 2.307 4.744 1.00 1.77 C ATOM 96 NZ LYS A 7 10.221 1.523 4.282 1.00 3.78 N ATOM 0 H LYS A 7 7.952 4.138 -1.334 1.00 0.32 H new ATOM 0 HA LYS A 7 9.833 5.149 0.454 1.00 0.20 H new ATOM 0 HB2 LYS A 7 7.562 4.271 1.113 1.00 0.48 H new ATOM 0 HB3 LYS A 7 8.096 2.632 0.798 1.00 0.48 H new ATOM 0 HG2 LYS A 7 10.066 3.162 2.486 1.00 0.66 H new ATOM 0 HG3 LYS A 7 9.103 4.543 2.971 1.00 0.66 H new ATOM 0 HD2 LYS A 7 7.262 3.115 3.749 1.00 1.68 H new ATOM 0 HD3 LYS A 7 7.929 1.699 2.960 1.00 1.68 H new ATOM 0 HE2 LYS A 7 9.336 3.225 5.244 1.00 1.77 H new ATOM 0 HE3 LYS A 7 8.441 1.735 5.463 1.00 1.77 H new ATOM 0 HZ1 LYS A 7 10.566 0.925 5.060 1.00 3.78 H new ATOM 0 HZ2 LYS A 7 9.951 0.922 3.477 1.00 3.78 H new ATOM 0 HZ3 LYS A 7 10.974 2.177 3.989 1.00 3.78 H new ATOM 110 N ALA A 8 10.621 2.113 -0.616 1.00 0.43 N ATOM 111 CA ALA A 8 11.735 1.110 -0.652 1.00 0.45 C ATOM 112 C ALA A 8 12.997 1.866 -1.159 1.00 0.45 C ATOM 113 O ALA A 8 14.090 1.610 -0.683 1.00 0.40 O ATOM 114 CB ALA A 8 11.260 -0.033 -1.576 1.00 0.56 C ATOM 0 H ALA A 8 9.833 1.905 -1.229 1.00 0.43 H new ATOM 0 HA ALA A 8 11.991 0.667 0.310 1.00 0.45 H new ATOM 0 HB1 ALA A 8 12.036 -0.796 -1.639 1.00 0.56 H new ATOM 0 HB2 ALA A 8 10.350 -0.474 -1.170 1.00 0.56 H new ATOM 0 HB3 ALA A 8 11.059 0.363 -2.571 1.00 0.56 H new ATOM 120 N ALA A 9 12.832 2.762 -2.112 1.00 0.53 N ATOM 121 CA ALA A 9 13.992 3.559 -2.646 1.00 0.57 C ATOM 122 C ALA A 9 14.786 4.144 -1.462 1.00 0.55 C ATOM 123 O ALA A 9 15.997 3.995 -1.411 1.00 0.56 O ATOM 124 CB ALA A 9 13.454 4.691 -3.530 1.00 0.78 C ATOM 0 H ALA A 9 11.934 2.977 -2.546 1.00 0.53 H new ATOM 0 HA ALA A 9 14.649 2.922 -3.238 1.00 0.57 H new ATOM 0 HB1 ALA A 9 14.287 5.274 -3.922 1.00 0.78 H new ATOM 0 HB2 ALA A 9 12.887 4.267 -4.359 1.00 0.78 H new ATOM 0 HB3 ALA A 9 12.805 5.337 -2.939 1.00 0.78 H new ATOM 130 N GLU A 10 14.072 4.785 -0.553 1.00 0.58 N ATOM 131 CA GLU A 10 14.736 5.385 0.643 1.00 0.74 C ATOM 132 C GLU A 10 15.570 4.285 1.323 1.00 0.76 C ATOM 133 O GLU A 10 16.772 4.390 1.502 1.00 0.87 O ATOM 134 CB GLU A 10 13.674 5.922 1.698 1.00 0.84 C ATOM 135 CG GLU A 10 12.990 7.291 1.343 1.00 1.00 C ATOM 136 CD GLU A 10 11.720 7.150 0.495 1.00 1.42 C ATOM 137 OE1 GLU A 10 11.892 6.648 -0.595 1.00 3.26 O ATOM 138 OE2 GLU A 10 10.650 7.540 0.954 1.00 1.47 O ATOM 0 H GLU A 10 13.061 4.914 -0.595 1.00 0.58 H new ATOM 0 HA GLU A 10 15.350 6.224 0.315 1.00 0.74 H new ATOM 0 HB2 GLU A 10 12.895 5.169 1.817 1.00 0.84 H new ATOM 0 HB3 GLU A 10 14.169 6.024 2.664 1.00 0.84 H new ATOM 0 HG2 GLU A 10 12.742 7.812 2.267 1.00 1.00 H new ATOM 0 HG3 GLU A 10 13.705 7.915 0.807 1.00 1.00 H new ATOM 145 N GLU A 11 14.883 3.234 1.663 1.00 0.70 N ATOM 146 CA GLU A 11 15.561 2.086 2.353 1.00 0.78 C ATOM 147 C GLU A 11 16.782 1.530 1.624 1.00 0.76 C ATOM 148 O GLU A 11 17.844 1.423 2.205 1.00 0.94 O ATOM 149 CB GLU A 11 14.524 0.972 2.561 1.00 0.88 C ATOM 150 CG GLU A 11 13.522 1.453 3.647 1.00 1.19 C ATOM 151 CD GLU A 11 13.402 0.537 4.887 1.00 1.63 C ATOM 152 OE1 GLU A 11 14.409 0.081 5.433 1.00 3.57 O ATOM 153 OE2 GLU A 11 12.231 0.369 5.202 1.00 1.46 O ATOM 0 H GLU A 11 13.884 3.113 1.497 1.00 0.70 H new ATOM 0 HA GLU A 11 15.947 2.469 3.298 1.00 0.78 H new ATOM 0 HB2 GLU A 11 14.002 0.757 1.628 1.00 0.88 H new ATOM 0 HB3 GLU A 11 15.012 0.049 2.874 1.00 0.88 H new ATOM 0 HG2 GLU A 11 13.820 2.448 3.978 1.00 1.19 H new ATOM 0 HG3 GLU A 11 12.537 1.551 3.191 1.00 1.19 H new ATOM 160 N VAL A 12 16.654 1.199 0.368 1.00 0.58 N ATOM 161 CA VAL A 12 17.832 0.637 -0.370 1.00 0.58 C ATOM 162 C VAL A 12 18.920 1.734 -0.427 1.00 0.56 C ATOM 163 O VAL A 12 20.087 1.468 -0.213 1.00 0.55 O ATOM 164 CB VAL A 12 17.298 0.188 -1.756 1.00 0.56 C ATOM 165 CG1 VAL A 12 17.280 1.297 -2.801 1.00 0.35 C ATOM 166 CG2 VAL A 12 18.152 -0.976 -2.299 1.00 0.66 C ATOM 0 H VAL A 12 15.797 1.290 -0.178 1.00 0.58 H new ATOM 0 HA VAL A 12 18.295 -0.227 0.106 1.00 0.58 H new ATOM 0 HB VAL A 12 16.265 -0.118 -1.588 1.00 0.56 H new ATOM 0 HG11 VAL A 12 16.894 0.904 -3.742 1.00 0.35 H new ATOM 0 HG12 VAL A 12 16.640 2.110 -2.458 1.00 0.35 H new ATOM 0 HG13 VAL A 12 18.293 1.671 -2.952 1.00 0.35 H new ATOM 0 HG21 VAL A 12 17.770 -1.285 -3.272 1.00 0.66 H new ATOM 0 HG22 VAL A 12 19.187 -0.651 -2.402 1.00 0.66 H new ATOM 0 HG23 VAL A 12 18.103 -1.817 -1.607 1.00 0.66 H new ATOM 176 N LYS A 13 18.510 2.946 -0.717 1.00 0.56 N ATOM 177 CA LYS A 13 19.433 4.108 -0.793 1.00 0.52 C ATOM 178 C LYS A 13 20.181 4.192 0.542 1.00 0.61 C ATOM 179 O LYS A 13 21.294 4.653 0.592 1.00 0.87 O ATOM 180 CB LYS A 13 18.566 5.322 -1.037 1.00 0.61 C ATOM 181 CG LYS A 13 18.208 5.445 -2.511 1.00 0.57 C ATOM 182 CD LYS A 13 19.257 6.382 -3.108 1.00 1.86 C ATOM 183 CE LYS A 13 18.939 6.661 -4.533 1.00 1.33 C ATOM 184 NZ LYS A 13 19.936 7.665 -4.940 1.00 2.22 N ATOM 0 H LYS A 13 17.536 3.178 -0.910 1.00 0.56 H new ATOM 0 HA LYS A 13 20.173 4.029 -1.590 1.00 0.52 H new ATOM 0 HB2 LYS A 13 17.656 5.249 -0.442 1.00 0.61 H new ATOM 0 HB3 LYS A 13 19.090 6.220 -0.710 1.00 0.61 H new ATOM 0 HG2 LYS A 13 18.226 4.472 -3.002 1.00 0.57 H new ATOM 0 HG3 LYS A 13 17.203 5.848 -2.639 1.00 0.57 H new ATOM 0 HD2 LYS A 13 19.286 7.314 -2.544 1.00 1.86 H new ATOM 0 HD3 LYS A 13 20.246 5.931 -3.029 1.00 1.86 H new ATOM 0 HE2 LYS A 13 19.012 5.759 -5.141 1.00 1.33 H new ATOM 0 HE3 LYS A 13 17.923 7.040 -4.647 1.00 1.33 H new ATOM 0 HZ1 LYS A 13 19.785 7.920 -5.937 1.00 2.22 H new ATOM 0 HZ2 LYS A 13 19.837 8.513 -4.346 1.00 2.22 H new ATOM 0 HZ3 LYS A 13 20.892 7.272 -4.825 1.00 2.22 H new ATOM 198 N HIS A 14 19.508 3.753 1.569 1.00 0.50 N ATOM 199 CA HIS A 14 20.093 3.743 2.960 1.00 0.69 C ATOM 200 C HIS A 14 20.902 2.464 3.284 1.00 0.71 C ATOM 201 O HIS A 14 21.511 2.423 4.336 1.00 0.74 O ATOM 202 CB HIS A 14 18.997 3.841 4.049 1.00 0.81 C ATOM 203 CG HIS A 14 18.433 5.238 4.225 1.00 1.06 C ATOM 204 ND1 HIS A 14 17.346 5.638 3.684 1.00 1.09 N ATOM 205 CD2 HIS A 14 18.882 6.331 4.938 1.00 1.33 C ATOM 206 CE1 HIS A 14 17.112 6.868 4.011 1.00 1.34 C ATOM 207 NE2 HIS A 14 18.048 7.342 4.795 1.00 1.50 N ATOM 0 H HIS A 14 18.556 3.391 1.511 1.00 0.50 H new ATOM 0 HA HIS A 14 20.751 4.612 2.970 1.00 0.69 H new ATOM 0 HB2 HIS A 14 18.184 3.160 3.796 1.00 0.81 H new ATOM 0 HB3 HIS A 14 19.411 3.504 4.999 1.00 0.81 H new ATOM 0 HD1 HIS A 14 16.750 5.070 3.082 1.00 1.09 H new ATOM 0 HD2 HIS A 14 19.786 6.355 5.528 1.00 1.33 H new ATOM 0 HE1 HIS A 14 16.253 7.433 3.679 1.00 1.34 H new ATOM 215 N LEU A 15 20.902 1.447 2.453 1.00 0.74 N ATOM 216 CA LEU A 15 21.722 0.223 2.809 1.00 0.81 C ATOM 217 C LEU A 15 23.162 0.730 2.968 1.00 0.91 C ATOM 218 O LEU A 15 23.566 1.575 2.194 1.00 1.37 O ATOM 219 CB LEU A 15 21.748 -0.817 1.679 1.00 0.74 C ATOM 220 CG LEU A 15 20.379 -1.418 1.425 1.00 0.23 C ATOM 221 CD1 LEU A 15 20.461 -2.148 0.094 1.00 0.52 C ATOM 222 CD2 LEU A 15 20.059 -2.489 2.453 1.00 0.54 C ATOM 0 H LEU A 15 20.392 1.401 1.571 1.00 0.74 H new ATOM 0 HA LEU A 15 21.298 -0.248 3.696 1.00 0.81 H new ATOM 0 HB2 LEU A 15 22.113 -0.349 0.765 1.00 0.74 H new ATOM 0 HB3 LEU A 15 22.450 -1.611 1.934 1.00 0.74 H new ATOM 0 HG LEU A 15 19.631 -0.626 1.456 1.00 0.23 H new ATOM 0 HD11 LEU A 15 19.495 -2.599 -0.133 1.00 0.52 H new ATOM 0 HD12 LEU A 15 20.726 -1.442 -0.693 1.00 0.52 H new ATOM 0 HD13 LEU A 15 21.221 -2.927 0.153 1.00 0.52 H new ATOM 0 HD21 LEU A 15 19.072 -2.905 2.250 1.00 0.54 H new ATOM 0 HD22 LEU A 15 20.805 -3.281 2.397 1.00 0.54 H new ATOM 0 HD23 LEU A 15 20.069 -2.050 3.451 1.00 0.54 H new ATOM 234 N LYS A 16 23.923 0.241 3.906 1.00 0.97 N ATOM 235 CA LYS A 16 25.322 0.799 3.993 1.00 0.72 C ATOM 236 C LYS A 16 26.308 0.010 3.126 1.00 0.51 C ATOM 237 O LYS A 16 27.491 0.283 3.091 1.00 0.47 O ATOM 238 CB LYS A 16 25.712 0.795 5.493 1.00 0.75 C ATOM 239 CG LYS A 16 24.892 1.936 6.186 1.00 0.99 C ATOM 240 CD LYS A 16 25.001 1.891 7.746 1.00 1.03 C ATOM 241 CE LYS A 16 24.594 0.485 8.218 1.00 1.55 C ATOM 242 NZ LYS A 16 23.932 0.540 9.562 1.00 1.42 N ATOM 0 H LYS A 16 23.669 -0.478 4.584 1.00 0.97 H new ATOM 0 HA LYS A 16 25.359 1.815 3.599 1.00 0.72 H new ATOM 0 HB2 LYS A 16 25.488 -0.170 5.947 1.00 0.75 H new ATOM 0 HB3 LYS A 16 26.782 0.963 5.613 1.00 0.75 H new ATOM 0 HG2 LYS A 16 25.247 2.903 5.828 1.00 0.99 H new ATOM 0 HG3 LYS A 16 23.845 1.854 5.896 1.00 0.99 H new ATOM 0 HD2 LYS A 16 26.019 2.118 8.062 1.00 1.03 H new ATOM 0 HD3 LYS A 16 24.353 2.644 8.194 1.00 1.03 H new ATOM 0 HE2 LYS A 16 23.915 0.036 7.493 1.00 1.55 H new ATOM 0 HE3 LYS A 16 25.475 -0.155 8.269 1.00 1.55 H new ATOM 0 HZ1 LYS A 16 23.698 -0.424 9.873 1.00 1.42 H new ATOM 0 HZ2 LYS A 16 24.578 0.978 10.249 1.00 1.42 H new ATOM 0 HZ3 LYS A 16 23.061 1.104 9.497 1.00 1.42 H new ATOM 256 N THR A 17 25.778 -0.955 2.432 1.00 0.52 N ATOM 257 CA THR A 17 26.610 -1.804 1.534 1.00 0.60 C ATOM 258 C THR A 17 26.014 -1.679 0.128 1.00 0.94 C ATOM 259 O THR A 17 24.810 -1.730 -0.017 1.00 2.11 O ATOM 260 CB THR A 17 26.545 -3.295 1.930 1.00 0.97 C ATOM 261 OG1 THR A 17 26.996 -3.456 3.267 1.00 1.33 O ATOM 262 CG2 THR A 17 27.565 -4.119 1.147 1.00 1.20 C ATOM 0 H THR A 17 24.787 -1.196 2.448 1.00 0.52 H new ATOM 0 HA THR A 17 27.647 -1.475 1.595 1.00 0.60 H new ATOM 0 HB THR A 17 25.515 -3.608 1.757 1.00 0.97 H new ATOM 0 HG1 THR A 17 26.302 -3.903 3.795 1.00 1.33 H new ATOM 0 HG21 THR A 17 27.496 -5.165 1.447 1.00 1.20 H new ATOM 0 HG22 THR A 17 27.360 -4.034 0.080 1.00 1.20 H new ATOM 0 HG23 THR A 17 28.569 -3.748 1.354 1.00 1.20 H new ATOM 270 N LYS A 18 26.848 -1.520 -0.863 1.00 0.62 N ATOM 271 CA LYS A 18 26.409 -1.405 -2.275 1.00 0.62 C ATOM 272 C LYS A 18 26.509 -2.933 -2.621 1.00 0.40 C ATOM 273 O LYS A 18 27.594 -3.480 -2.689 1.00 0.49 O ATOM 274 CB LYS A 18 27.456 -0.469 -3.022 1.00 0.78 C ATOM 275 CG LYS A 18 28.757 -1.228 -3.416 1.00 1.35 C ATOM 276 CD LYS A 18 29.871 -0.256 -3.876 1.00 1.19 C ATOM 277 CE LYS A 18 31.118 -1.032 -4.381 1.00 1.72 C ATOM 278 NZ LYS A 18 31.588 -1.977 -3.306 1.00 2.20 N ATOM 0 H LYS A 18 27.859 -1.463 -0.740 1.00 0.62 H new ATOM 0 HA LYS A 18 25.443 -0.966 -2.524 1.00 0.62 H new ATOM 0 HB2 LYS A 18 26.994 -0.056 -3.919 1.00 0.78 H new ATOM 0 HB3 LYS A 18 27.711 0.373 -2.378 1.00 0.78 H new ATOM 0 HG2 LYS A 18 29.111 -1.810 -2.565 1.00 1.35 H new ATOM 0 HG3 LYS A 18 28.538 -1.935 -4.216 1.00 1.35 H new ATOM 0 HD2 LYS A 18 29.492 0.386 -4.671 1.00 1.19 H new ATOM 0 HD3 LYS A 18 30.154 0.395 -3.049 1.00 1.19 H new ATOM 0 HE2 LYS A 18 30.873 -1.587 -5.287 1.00 1.72 H new ATOM 0 HE3 LYS A 18 31.914 -0.334 -4.641 1.00 1.72 H new ATOM 0 HZ1 LYS A 18 32.542 -2.319 -3.537 1.00 2.20 H new ATOM 0 HZ2 LYS A 18 31.610 -1.480 -2.393 1.00 2.20 H new ATOM 0 HZ3 LYS A 18 30.936 -2.785 -3.245 1.00 2.20 H new ATOM 292 N PRO A 19 25.412 -3.630 -2.794 1.00 0.48 N ATOM 293 CA PRO A 19 25.455 -5.095 -3.129 1.00 0.40 C ATOM 294 C PRO A 19 26.283 -5.438 -4.391 1.00 0.34 C ATOM 295 O PRO A 19 26.867 -4.568 -5.007 1.00 0.48 O ATOM 296 CB PRO A 19 23.962 -5.447 -3.229 1.00 0.71 C ATOM 297 CG PRO A 19 23.327 -4.445 -2.219 1.00 0.85 C ATOM 298 CD PRO A 19 24.006 -3.152 -2.660 1.00 0.90 C ATOM 0 HA PRO A 19 25.982 -5.689 -2.383 1.00 0.40 H new ATOM 0 HB2 PRO A 19 23.576 -5.308 -4.239 1.00 0.71 H new ATOM 0 HB3 PRO A 19 23.767 -6.483 -2.953 1.00 0.71 H new ATOM 0 HG2 PRO A 19 22.242 -4.396 -2.308 1.00 0.85 H new ATOM 0 HG3 PRO A 19 23.551 -4.700 -1.183 1.00 0.85 H new ATOM 0 HD2 PRO A 19 23.605 -2.770 -3.599 1.00 0.90 H new ATOM 0 HD3 PRO A 19 23.905 -2.356 -1.922 1.00 0.90 H new ATOM 306 N ALA A 20 26.319 -6.693 -4.757 1.00 0.63 N ATOM 307 CA ALA A 20 27.109 -7.059 -5.987 1.00 0.90 C ATOM 308 C ALA A 20 26.325 -6.580 -7.247 1.00 0.75 C ATOM 309 O ALA A 20 25.113 -6.434 -7.172 1.00 0.65 O ATOM 310 CB ALA A 20 27.295 -8.592 -5.970 1.00 1.44 C ATOM 0 H ALA A 20 25.853 -7.465 -4.279 1.00 0.63 H new ATOM 0 HA ALA A 20 28.088 -6.581 -6.008 1.00 0.90 H new ATOM 0 HB1 ALA A 20 27.864 -8.899 -6.847 1.00 1.44 H new ATOM 0 HB2 ALA A 20 27.833 -8.883 -5.068 1.00 1.44 H new ATOM 0 HB3 ALA A 20 26.319 -9.077 -5.983 1.00 1.44 H new ATOM 316 N ASP A 21 26.998 -6.328 -8.351 1.00 0.76 N ATOM 317 CA ASP A 21 26.256 -5.871 -9.561 1.00 0.61 C ATOM 318 C ASP A 21 24.969 -6.682 -9.733 1.00 0.49 C ATOM 319 O ASP A 21 23.931 -6.073 -9.700 1.00 0.26 O ATOM 320 CB ASP A 21 27.190 -5.995 -10.840 1.00 0.80 C ATOM 321 CG ASP A 21 28.516 -5.211 -10.736 1.00 1.05 C ATOM 322 OD1 ASP A 21 29.095 -5.216 -9.655 1.00 1.13 O ATOM 323 OD2 ASP A 21 28.873 -4.655 -11.772 1.00 1.29 O ATOM 0 H ASP A 21 28.008 -6.419 -8.460 1.00 0.76 H new ATOM 0 HA ASP A 21 25.976 -4.825 -9.440 1.00 0.61 H new ATOM 0 HB2 ASP A 21 27.416 -7.048 -11.010 1.00 0.80 H new ATOM 0 HB3 ASP A 21 26.640 -5.642 -11.713 1.00 0.80 H new ATOM 328 N GLU A 22 24.978 -7.976 -9.880 1.00 0.61 N ATOM 329 CA GLU A 22 23.679 -8.704 -10.047 1.00 0.53 C ATOM 330 C GLU A 22 22.531 -8.219 -9.103 1.00 0.37 C ATOM 331 O GLU A 22 21.503 -7.763 -9.583 1.00 0.84 O ATOM 332 CB GLU A 22 23.937 -10.242 -9.832 1.00 0.79 C ATOM 333 CG GLU A 22 24.798 -10.927 -10.988 1.00 1.19 C ATOM 334 CD GLU A 22 26.338 -10.877 -10.841 1.00 2.68 C ATOM 335 OE1 GLU A 22 26.814 -10.050 -10.079 1.00 3.13 O ATOM 336 OE2 GLU A 22 26.935 -11.696 -11.526 1.00 4.21 O ATOM 0 H GLU A 22 25.814 -8.560 -9.893 1.00 0.61 H new ATOM 0 HA GLU A 22 23.328 -8.490 -11.056 1.00 0.53 H new ATOM 0 HB2 GLU A 22 24.449 -10.384 -8.880 1.00 0.79 H new ATOM 0 HB3 GLU A 22 22.977 -10.753 -9.757 1.00 0.79 H new ATOM 0 HG2 GLU A 22 24.498 -11.973 -11.059 1.00 1.19 H new ATOM 0 HG3 GLU A 22 24.532 -10.454 -11.934 1.00 1.19 H new ATOM 343 N GLU A 23 22.677 -8.295 -7.796 1.00 0.58 N ATOM 344 CA GLU A 23 21.535 -7.814 -6.939 1.00 0.67 C ATOM 345 C GLU A 23 21.326 -6.302 -7.185 1.00 0.64 C ATOM 346 O GLU A 23 20.184 -5.859 -7.182 1.00 0.74 O ATOM 347 CB GLU A 23 21.807 -8.105 -5.397 1.00 0.89 C ATOM 348 CG GLU A 23 21.553 -9.645 -5.088 1.00 1.03 C ATOM 349 CD GLU A 23 21.340 -9.957 -3.604 1.00 1.23 C ATOM 350 OE1 GLU A 23 22.320 -9.915 -2.877 1.00 1.72 O ATOM 351 OE2 GLU A 23 20.199 -10.235 -3.265 1.00 3.12 O ATOM 0 H GLU A 23 23.496 -8.651 -7.302 1.00 0.58 H new ATOM 0 HA GLU A 23 20.630 -8.357 -7.213 1.00 0.67 H new ATOM 0 HB2 GLU A 23 22.832 -7.838 -5.142 1.00 0.89 H new ATOM 0 HB3 GLU A 23 21.154 -7.488 -4.780 1.00 0.89 H new ATOM 0 HG2 GLU A 23 20.679 -9.978 -5.648 1.00 1.03 H new ATOM 0 HG3 GLU A 23 22.403 -10.223 -5.452 1.00 1.03 H new ATOM 358 N MET A 24 22.391 -5.553 -7.400 1.00 0.61 N ATOM 359 CA MET A 24 22.251 -4.076 -7.658 1.00 0.62 C ATOM 360 C MET A 24 21.332 -3.962 -8.899 1.00 0.56 C ATOM 361 O MET A 24 20.290 -3.354 -8.863 1.00 0.85 O ATOM 362 CB MET A 24 23.674 -3.554 -7.894 1.00 0.42 C ATOM 363 CG MET A 24 24.413 -3.358 -6.561 1.00 0.24 C ATOM 364 SD MET A 24 24.003 -1.844 -5.657 1.00 0.10 S ATOM 365 CE MET A 24 25.238 -0.761 -6.411 1.00 0.59 C ATOM 0 H MET A 24 23.350 -5.901 -7.408 1.00 0.61 H new ATOM 0 HA MET A 24 21.811 -3.492 -6.850 1.00 0.62 H new ATOM 0 HB2 MET A 24 24.224 -4.256 -8.520 1.00 0.42 H new ATOM 0 HB3 MET A 24 23.634 -2.609 -8.435 1.00 0.42 H new ATOM 0 HG2 MET A 24 24.200 -4.213 -5.919 1.00 0.24 H new ATOM 0 HG3 MET A 24 25.485 -3.365 -6.756 1.00 0.24 H new ATOM 0 HE1 MET A 24 25.154 0.239 -5.985 1.00 0.59 H new ATOM 0 HE2 MET A 24 26.235 -1.156 -6.216 1.00 0.59 H new ATOM 0 HE3 MET A 24 25.071 -0.712 -7.487 1.00 0.59 H new ATOM 375 N LEU A 25 21.777 -4.561 -9.968 1.00 0.24 N ATOM 376 CA LEU A 25 21.144 -4.664 -11.306 1.00 0.32 C ATOM 377 C LEU A 25 19.642 -4.916 -11.158 1.00 0.35 C ATOM 378 O LEU A 25 18.809 -4.244 -11.742 1.00 0.60 O ATOM 379 CB LEU A 25 21.914 -5.815 -12.007 1.00 0.35 C ATOM 380 CG LEU A 25 23.303 -5.421 -12.546 1.00 0.60 C ATOM 381 CD1 LEU A 25 23.892 -6.606 -13.314 1.00 0.76 C ATOM 382 CD2 LEU A 25 23.213 -4.246 -13.520 1.00 0.80 C ATOM 0 H LEU A 25 22.676 -5.043 -9.950 1.00 0.24 H new ATOM 0 HA LEU A 25 21.208 -3.753 -11.901 1.00 0.32 H new ATOM 0 HB2 LEU A 25 22.032 -6.638 -11.302 1.00 0.35 H new ATOM 0 HB3 LEU A 25 21.310 -6.188 -12.834 1.00 0.35 H new ATOM 0 HG LEU A 25 23.923 -5.139 -11.695 1.00 0.60 H new ATOM 0 HD11 LEU A 25 24.875 -6.337 -13.700 1.00 0.76 H new ATOM 0 HD12 LEU A 25 23.986 -7.462 -12.646 1.00 0.76 H new ATOM 0 HD13 LEU A 25 23.235 -6.864 -14.144 1.00 0.76 H new ATOM 0 HD21 LEU A 25 24.211 -3.995 -13.880 1.00 0.80 H new ATOM 0 HD22 LEU A 25 22.581 -4.521 -14.364 1.00 0.80 H new ATOM 0 HD23 LEU A 25 22.783 -3.383 -13.011 1.00 0.80 H new ATOM 394 N PHE A 26 19.323 -5.894 -10.358 1.00 0.34 N ATOM 395 CA PHE A 26 17.880 -6.191 -10.170 1.00 0.39 C ATOM 396 C PHE A 26 17.250 -4.936 -9.539 1.00 0.38 C ATOM 397 O PHE A 26 16.297 -4.433 -10.093 1.00 0.42 O ATOM 398 CB PHE A 26 17.792 -7.403 -9.290 1.00 0.41 C ATOM 399 CG PHE A 26 16.319 -7.776 -9.174 1.00 0.43 C ATOM 400 CD1 PHE A 26 15.510 -7.085 -8.301 1.00 2.09 C ATOM 401 CD2 PHE A 26 15.788 -8.817 -9.913 1.00 2.73 C ATOM 402 CE1 PHE A 26 14.193 -7.426 -8.159 1.00 2.10 C ATOM 403 CE2 PHE A 26 14.456 -9.159 -9.766 1.00 2.73 C ATOM 404 CZ PHE A 26 13.665 -8.456 -8.882 1.00 0.51 C ATOM 0 H PHE A 26 19.976 -6.483 -9.842 1.00 0.34 H new ATOM 0 HA PHE A 26 17.345 -6.411 -11.094 1.00 0.39 H new ATOM 0 HB2 PHE A 26 18.365 -8.228 -9.714 1.00 0.41 H new ATOM 0 HB3 PHE A 26 18.214 -7.195 -8.307 1.00 0.41 H new ATOM 0 HD1 PHE A 26 15.918 -6.268 -7.724 1.00 2.09 H new ATOM 0 HD2 PHE A 26 16.413 -9.363 -10.604 1.00 2.73 H new ATOM 0 HE1 PHE A 26 13.567 -6.877 -7.471 1.00 2.10 H new ATOM 0 HE2 PHE A 26 14.038 -9.972 -10.340 1.00 2.73 H new ATOM 0 HZ PHE A 26 12.625 -8.721 -8.761 1.00 0.51 H new ATOM 414 N ILE A 27 17.752 -4.452 -8.429 1.00 0.35 N ATOM 415 CA ILE A 27 17.118 -3.213 -7.853 1.00 0.33 C ATOM 416 C ILE A 27 17.086 -2.111 -8.947 1.00 0.39 C ATOM 417 O ILE A 27 16.049 -1.531 -9.162 1.00 0.67 O ATOM 418 CB ILE A 27 17.946 -2.827 -6.599 1.00 0.31 C ATOM 419 CG1 ILE A 27 17.367 -3.600 -5.377 1.00 0.29 C ATOM 420 CG2 ILE A 27 17.956 -1.323 -6.296 1.00 0.32 C ATOM 421 CD1 ILE A 27 15.896 -3.222 -5.063 1.00 0.25 C ATOM 0 H ILE A 27 18.541 -4.838 -7.910 1.00 0.35 H new ATOM 0 HA ILE A 27 16.083 -3.363 -7.544 1.00 0.33 H new ATOM 0 HB ILE A 27 18.983 -3.098 -6.799 1.00 0.31 H new ATOM 0 HG12 ILE A 27 17.428 -4.671 -5.569 1.00 0.29 H new ATOM 0 HG13 ILE A 27 17.983 -3.398 -4.501 1.00 0.29 H new ATOM 0 HG21 ILE A 27 18.556 -1.135 -5.405 1.00 0.32 H new ATOM 0 HG22 ILE A 27 18.384 -0.784 -7.142 1.00 0.32 H new ATOM 0 HG23 ILE A 27 16.936 -0.979 -6.125 1.00 0.32 H new ATOM 0 HD11 ILE A 27 15.549 -3.793 -4.202 1.00 0.25 H new ATOM 0 HD12 ILE A 27 15.834 -2.157 -4.841 1.00 0.25 H new ATOM 0 HD13 ILE A 27 15.270 -3.450 -5.926 1.00 0.25 H new ATOM 433 N TYR A 28 18.176 -1.825 -9.618 1.00 0.17 N ATOM 434 CA TYR A 28 18.208 -0.772 -10.709 1.00 0.11 C ATOM 435 C TYR A 28 17.038 -1.013 -11.693 1.00 0.12 C ATOM 436 O TYR A 28 16.181 -0.169 -11.849 1.00 0.09 O ATOM 437 CB TYR A 28 19.544 -0.862 -11.506 1.00 0.17 C ATOM 438 CG TYR A 28 19.617 0.163 -12.658 1.00 0.40 C ATOM 439 CD1 TYR A 28 19.135 -0.153 -13.910 1.00 0.53 C ATOM 440 CD2 TYR A 28 20.162 1.411 -12.478 1.00 0.65 C ATOM 441 CE1 TYR A 28 19.193 0.750 -14.954 1.00 0.83 C ATOM 442 CE2 TYR A 28 20.216 2.299 -13.527 1.00 0.92 C ATOM 443 CZ TYR A 28 19.736 1.987 -14.774 1.00 0.99 C ATOM 444 OH TYR A 28 19.799 2.906 -15.810 1.00 1.25 O ATOM 0 H TYR A 28 19.073 -2.284 -9.458 1.00 0.17 H new ATOM 0 HA TYR A 28 18.121 0.211 -10.246 1.00 0.11 H new ATOM 0 HB2 TYR A 28 20.380 -0.699 -10.826 1.00 0.17 H new ATOM 0 HB3 TYR A 28 19.654 -1.868 -11.912 1.00 0.17 H new ATOM 0 HD1 TYR A 28 18.702 -1.128 -14.079 1.00 0.53 H new ATOM 0 HD2 TYR A 28 20.549 1.696 -11.511 1.00 0.65 H new ATOM 0 HE1 TYR A 28 18.804 0.473 -15.923 1.00 0.83 H new ATOM 0 HE2 TYR A 28 20.651 3.274 -13.364 1.00 0.92 H new ATOM 0 HH TYR A 28 19.049 2.760 -16.423 1.00 1.25 H new ATOM 454 N SER A 29 17.051 -2.164 -12.314 1.00 0.20 N ATOM 455 CA SER A 29 15.988 -2.559 -13.305 1.00 0.26 C ATOM 456 C SER A 29 14.601 -2.368 -12.708 1.00 0.22 C ATOM 457 O SER A 29 13.775 -1.678 -13.264 1.00 0.21 O ATOM 458 CB SER A 29 16.190 -4.034 -13.702 1.00 0.33 C ATOM 459 OG SER A 29 15.997 -4.727 -12.479 1.00 0.56 O ATOM 0 H SER A 29 17.773 -2.871 -12.175 1.00 0.20 H new ATOM 0 HA SER A 29 16.071 -1.925 -14.188 1.00 0.26 H new ATOM 0 HB2 SER A 29 15.474 -4.349 -14.461 1.00 0.33 H new ATOM 0 HB3 SER A 29 17.185 -4.208 -14.111 1.00 0.33 H new ATOM 0 HG SER A 29 16.658 -4.422 -11.822 1.00 0.56 H new ATOM 465 N HIS A 30 14.392 -2.987 -11.587 1.00 0.22 N ATOM 466 CA HIS A 30 13.083 -2.884 -10.896 1.00 0.19 C ATOM 467 C HIS A 30 12.736 -1.438 -10.597 1.00 0.09 C ATOM 468 O HIS A 30 11.638 -1.021 -10.895 1.00 0.09 O ATOM 469 CB HIS A 30 13.232 -3.782 -9.692 1.00 0.19 C ATOM 470 CG HIS A 30 13.047 -5.142 -10.332 1.00 0.24 C ATOM 471 ND1 HIS A 30 13.859 -5.729 -11.145 1.00 2.22 N ATOM 472 CD2 HIS A 30 11.993 -5.995 -10.211 1.00 2.02 C ATOM 473 CE1 HIS A 30 13.343 -6.861 -11.510 1.00 1.63 C ATOM 474 NE2 HIS A 30 12.177 -7.068 -10.950 1.00 1.06 N ATOM 0 H HIS A 30 15.082 -3.569 -11.112 1.00 0.22 H new ATOM 0 HA HIS A 30 12.232 -3.211 -11.494 1.00 0.19 H new ATOM 0 HB2 HIS A 30 14.207 -3.678 -9.216 1.00 0.19 H new ATOM 0 HB3 HIS A 30 12.481 -3.578 -8.928 1.00 0.19 H new ATOM 0 HD1 HIS A 30 14.760 -5.362 -11.451 1.00 2.22 H new ATOM 0 HD2 HIS A 30 11.125 -5.816 -9.593 1.00 2.02 H new ATOM 0 HE1 HIS A 30 13.817 -7.550 -12.193 1.00 1.63 H new ATOM 482 N TYR A 31 13.627 -0.694 -10.010 1.00 0.08 N ATOM 483 CA TYR A 31 13.382 0.745 -9.705 1.00 0.09 C ATOM 484 C TYR A 31 13.020 1.489 -11.017 1.00 0.14 C ATOM 485 O TYR A 31 11.973 2.096 -11.158 1.00 0.20 O ATOM 486 CB TYR A 31 14.662 1.281 -9.093 1.00 0.23 C ATOM 487 CG TYR A 31 14.512 2.765 -8.842 1.00 0.52 C ATOM 488 CD1 TYR A 31 13.544 3.233 -7.976 1.00 0.63 C ATOM 489 CD2 TYR A 31 15.337 3.640 -9.505 1.00 0.74 C ATOM 490 CE1 TYR A 31 13.396 4.584 -7.778 1.00 0.88 C ATOM 491 CE2 TYR A 31 15.184 4.993 -9.305 1.00 0.98 C ATOM 492 CZ TYR A 31 14.215 5.456 -8.444 1.00 1.04 C ATOM 493 OH TYR A 31 14.054 6.799 -8.242 1.00 1.32 O ATOM 0 H TYR A 31 14.544 -1.032 -9.719 1.00 0.08 H new ATOM 0 HA TYR A 31 12.552 0.886 -9.012 1.00 0.09 H new ATOM 0 HB2 TYR A 31 14.877 0.762 -8.159 1.00 0.23 H new ATOM 0 HB3 TYR A 31 15.503 1.097 -9.761 1.00 0.23 H new ATOM 0 HD1 TYR A 31 12.903 2.537 -7.455 1.00 0.63 H new ATOM 0 HD2 TYR A 31 16.098 3.270 -10.176 1.00 0.74 H new ATOM 0 HE1 TYR A 31 12.640 4.956 -7.102 1.00 0.88 H new ATOM 0 HE2 TYR A 31 15.824 5.691 -9.824 1.00 0.98 H new ATOM 0 HH TYR A 31 14.707 7.292 -8.781 1.00 1.32 H new ATOM 503 N LYS A 32 13.934 1.416 -11.946 1.00 0.14 N ATOM 504 CA LYS A 32 13.724 2.075 -13.274 1.00 0.28 C ATOM 505 C LYS A 32 12.304 1.679 -13.746 1.00 0.19 C ATOM 506 O LYS A 32 11.469 2.502 -14.061 1.00 0.32 O ATOM 507 CB LYS A 32 14.828 1.550 -14.193 1.00 0.47 C ATOM 508 CG LYS A 32 16.210 2.119 -13.761 1.00 1.41 C ATOM 509 CD LYS A 32 16.292 3.559 -14.337 1.00 1.41 C ATOM 510 CE LYS A 32 17.186 4.505 -13.545 1.00 1.69 C ATOM 511 NZ LYS A 32 18.575 4.599 -14.071 1.00 2.31 N ATOM 0 H LYS A 32 14.823 0.926 -11.845 1.00 0.14 H new ATOM 0 HA LYS A 32 13.782 3.163 -13.254 1.00 0.28 H new ATOM 0 HB2 LYS A 32 14.850 0.461 -14.160 1.00 0.47 H new ATOM 0 HB3 LYS A 32 14.617 1.834 -15.224 1.00 0.47 H new ATOM 0 HG2 LYS A 32 16.303 2.129 -12.675 1.00 1.41 H new ATOM 0 HG3 LYS A 32 17.022 1.501 -14.145 1.00 1.41 H new ATOM 0 HD2 LYS A 32 16.658 3.507 -15.362 1.00 1.41 H new ATOM 0 HD3 LYS A 32 15.287 3.978 -14.378 1.00 1.41 H new ATOM 0 HE2 LYS A 32 16.739 5.499 -13.546 1.00 1.69 H new ATOM 0 HE3 LYS A 32 17.222 4.173 -12.507 1.00 1.69 H new ATOM 0 HZ1 LYS A 32 19.238 4.203 -13.374 1.00 2.31 H new ATOM 0 HZ2 LYS A 32 18.646 4.064 -14.960 1.00 2.31 H new ATOM 0 HZ3 LYS A 32 18.813 5.596 -14.247 1.00 2.31 H new ATOM 525 N GLN A 33 12.077 0.391 -13.768 1.00 0.18 N ATOM 526 CA GLN A 33 10.753 -0.179 -14.188 1.00 0.25 C ATOM 527 C GLN A 33 9.549 0.471 -13.477 1.00 0.15 C ATOM 528 O GLN A 33 8.753 1.166 -14.081 1.00 0.20 O ATOM 529 CB GLN A 33 10.699 -1.677 -13.869 1.00 0.46 C ATOM 530 CG GLN A 33 11.309 -2.613 -14.895 1.00 1.23 C ATOM 531 CD GLN A 33 10.518 -2.543 -16.189 1.00 1.79 C ATOM 532 OE1 GLN A 33 11.085 -2.341 -17.331 1.00 2.08 O flip ATOM 533 NE2 GLN A 33 9.313 -2.685 -16.170 1.00 2.54 N flip ATOM 0 H GLN A 33 12.770 -0.310 -13.506 1.00 0.18 H new ATOM 0 HA GLN A 33 10.679 0.020 -15.257 1.00 0.25 H new ATOM 0 HB2 GLN A 33 11.203 -1.841 -12.917 1.00 0.46 H new ATOM 0 HB3 GLN A 33 9.655 -1.958 -13.730 1.00 0.46 H new ATOM 0 HG2 GLN A 33 12.348 -2.339 -15.078 1.00 1.23 H new ATOM 0 HG3 GLN A 33 11.311 -3.634 -14.514 1.00 1.23 H new ATOM 0 HE21 GLN A 33 8.832 -2.846 -15.285 1.00 2.54 H new ATOM 0 HE22 GLN A 33 8.781 -2.643 -17.039 1.00 2.54 H new ATOM 542 N ALA A 34 9.473 0.210 -12.191 1.00 0.19 N ATOM 543 CA ALA A 34 8.379 0.733 -11.321 1.00 0.24 C ATOM 544 C ALA A 34 8.179 2.266 -11.325 1.00 0.15 C ATOM 545 O ALA A 34 7.144 2.744 -10.901 1.00 0.20 O ATOM 546 CB ALA A 34 8.695 0.194 -9.944 1.00 0.39 C ATOM 0 H ALA A 34 10.153 -0.367 -11.696 1.00 0.19 H new ATOM 0 HA ALA A 34 7.417 0.396 -11.706 1.00 0.24 H new ATOM 0 HB1 ALA A 34 7.936 0.532 -9.238 1.00 0.39 H new ATOM 0 HB2 ALA A 34 8.704 -0.896 -9.973 1.00 0.39 H new ATOM 0 HB3 ALA A 34 9.673 0.556 -9.627 1.00 0.39 H new ATOM 552 N THR A 35 9.153 3.000 -11.795 1.00 0.06 N ATOM 553 CA THR A 35 9.042 4.506 -11.842 1.00 0.07 C ATOM 554 C THR A 35 8.758 5.002 -13.262 1.00 0.11 C ATOM 555 O THR A 35 7.863 5.801 -13.446 1.00 0.21 O ATOM 556 CB THR A 35 10.335 5.188 -11.397 1.00 0.23 C ATOM 557 OG1 THR A 35 11.322 4.608 -12.225 1.00 0.28 O ATOM 558 CG2 THR A 35 10.764 4.789 -10.013 1.00 0.35 C ATOM 0 H THR A 35 10.032 2.626 -12.154 1.00 0.06 H new ATOM 0 HA THR A 35 8.224 4.758 -11.167 1.00 0.07 H new ATOM 0 HB THR A 35 10.202 6.269 -11.439 1.00 0.23 H new ATOM 0 HG1 THR A 35 11.615 3.757 -11.838 1.00 0.28 H new ATOM 0 HG21 THR A 35 11.688 5.307 -9.755 1.00 0.35 H new ATOM 0 HG22 THR A 35 9.986 5.058 -9.299 1.00 0.35 H new ATOM 0 HG23 THR A 35 10.930 3.712 -9.980 1.00 0.35 H new ATOM 566 N VAL A 36 9.499 4.538 -14.235 1.00 0.31 N ATOM 567 CA VAL A 36 9.278 4.983 -15.658 1.00 0.58 C ATOM 568 C VAL A 36 8.441 3.988 -16.484 1.00 0.60 C ATOM 569 O VAL A 36 7.454 4.330 -17.113 1.00 0.73 O ATOM 570 CB VAL A 36 10.699 5.200 -16.356 1.00 0.78 C ATOM 571 CG1 VAL A 36 10.481 5.682 -17.817 1.00 1.05 C ATOM 572 CG2 VAL A 36 11.500 6.255 -15.576 1.00 0.73 C ATOM 0 H VAL A 36 10.255 3.865 -14.111 1.00 0.31 H new ATOM 0 HA VAL A 36 8.710 5.912 -15.625 1.00 0.58 H new ATOM 0 HB VAL A 36 11.253 4.262 -16.360 1.00 0.78 H new ATOM 0 HG11 VAL A 36 11.447 5.832 -18.299 1.00 1.05 H new ATOM 0 HG12 VAL A 36 9.914 4.931 -18.367 1.00 1.05 H new ATOM 0 HG13 VAL A 36 9.929 6.622 -17.812 1.00 1.05 H new ATOM 0 HG21 VAL A 36 12.469 6.402 -16.053 1.00 0.73 H new ATOM 0 HG22 VAL A 36 10.952 7.197 -15.570 1.00 0.73 H new ATOM 0 HG23 VAL A 36 11.648 5.915 -14.551 1.00 0.73 H new ATOM 582 N GLY A 37 8.892 2.769 -16.406 1.00 0.46 N ATOM 583 CA GLY A 37 8.294 1.596 -17.120 1.00 0.35 C ATOM 584 C GLY A 37 9.398 1.119 -18.064 1.00 0.08 C ATOM 585 O GLY A 37 10.289 0.414 -17.627 1.00 0.24 O ATOM 0 H GLY A 37 9.703 2.521 -15.840 1.00 0.46 H new ATOM 0 HA2 GLY A 37 8.003 0.812 -16.421 1.00 0.35 H new ATOM 0 HA3 GLY A 37 7.397 1.881 -17.670 1.00 0.35 H new ATOM 589 N ASP A 38 9.302 1.509 -19.301 1.00 0.23 N ATOM 590 CA ASP A 38 10.306 1.136 -20.339 1.00 0.46 C ATOM 591 C ASP A 38 11.556 2.012 -20.332 1.00 0.33 C ATOM 592 O ASP A 38 11.593 3.084 -19.770 1.00 0.91 O ATOM 593 CB ASP A 38 9.663 1.270 -21.730 1.00 0.80 C ATOM 594 CG ASP A 38 9.079 0.001 -22.283 1.00 1.96 C ATOM 595 OD1 ASP A 38 8.817 -0.915 -21.522 1.00 2.43 O ATOM 596 OD2 ASP A 38 8.964 0.103 -23.496 1.00 2.29 O ATOM 0 H ASP A 38 8.542 2.092 -19.650 1.00 0.23 H new ATOM 0 HA ASP A 38 10.611 0.115 -20.111 1.00 0.46 H new ATOM 0 HB2 ASP A 38 8.876 2.023 -21.679 1.00 0.80 H new ATOM 0 HB3 ASP A 38 10.414 1.641 -22.427 1.00 0.80 H new ATOM 601 N ILE A 39 12.539 1.492 -21.003 1.00 0.59 N ATOM 602 CA ILE A 39 13.856 2.182 -21.142 1.00 0.54 C ATOM 603 C ILE A 39 13.786 2.934 -22.496 1.00 1.13 C ATOM 604 O ILE A 39 13.353 2.400 -23.509 1.00 1.61 O ATOM 605 CB ILE A 39 14.868 1.026 -21.045 1.00 0.53 C ATOM 606 CG1 ILE A 39 16.321 1.523 -20.922 1.00 0.47 C ATOM 607 CG2 ILE A 39 14.709 0.109 -22.284 1.00 0.94 C ATOM 608 CD1 ILE A 39 17.163 0.328 -20.396 1.00 0.55 C ATOM 0 H ILE A 39 12.487 0.590 -21.477 1.00 0.59 H new ATOM 0 HA ILE A 39 14.134 2.933 -20.402 1.00 0.54 H new ATOM 0 HB ILE A 39 14.655 0.466 -20.135 1.00 0.53 H new ATOM 0 HG12 ILE A 39 16.696 1.864 -21.887 1.00 0.47 H new ATOM 0 HG13 ILE A 39 16.383 2.370 -20.238 1.00 0.47 H new ATOM 0 HG21 ILE A 39 15.423 -0.713 -22.223 1.00 0.94 H new ATOM 0 HG22 ILE A 39 13.696 -0.292 -22.312 1.00 0.94 H new ATOM 0 HG23 ILE A 39 14.896 0.686 -23.190 1.00 0.94 H new ATOM 0 HD11 ILE A 39 18.204 0.634 -20.293 1.00 0.55 H new ATOM 0 HD12 ILE A 39 16.780 0.012 -19.426 1.00 0.55 H new ATOM 0 HD13 ILE A 39 17.097 -0.501 -21.100 1.00 0.55 H new ATOM 620 N ASN A 40 14.195 4.178 -22.449 1.00 1.42 N ATOM 621 CA ASN A 40 14.200 5.069 -23.657 1.00 2.18 C ATOM 622 C ASN A 40 15.507 5.895 -23.834 1.00 2.39 C ATOM 623 O ASN A 40 15.529 6.904 -24.515 1.00 3.32 O ATOM 624 CB ASN A 40 12.968 5.956 -23.484 1.00 2.66 C ATOM 625 CG ASN A 40 13.083 6.702 -22.155 1.00 2.59 C ATOM 626 OD1 ASN A 40 13.313 6.141 -21.105 1.00 2.43 O ATOM 627 ND2 ASN A 40 12.934 7.977 -22.116 1.00 3.21 N ATOM 0 H ASN A 40 14.536 4.628 -21.599 1.00 1.42 H new ATOM 0 HA ASN A 40 14.166 4.479 -24.573 1.00 2.18 H new ATOM 0 HB2 ASN A 40 12.893 6.664 -24.309 1.00 2.66 H new ATOM 0 HB3 ASN A 40 12.062 5.351 -23.500 1.00 2.66 H new ATOM 0 HD21 ASN A 40 13.011 8.472 -21.228 1.00 3.21 H new ATOM 0 HD22 ASN A 40 12.739 8.494 -22.973 1.00 3.21 H new ATOM 634 N THR A 41 16.550 5.436 -23.200 1.00 1.51 N ATOM 635 CA THR A 41 17.871 6.138 -23.295 1.00 1.70 C ATOM 636 C THR A 41 18.815 5.124 -23.913 1.00 1.29 C ATOM 637 O THR A 41 18.997 4.052 -23.362 1.00 0.94 O ATOM 638 CB THR A 41 18.396 6.562 -21.892 1.00 1.87 C ATOM 639 OG1 THR A 41 18.943 5.441 -21.207 1.00 1.29 O ATOM 640 CG2 THR A 41 17.247 6.920 -20.927 1.00 2.30 C ATOM 0 H THR A 41 16.549 4.600 -22.615 1.00 1.51 H new ATOM 0 HA THR A 41 17.788 7.052 -23.884 1.00 1.70 H new ATOM 0 HB THR A 41 19.086 7.381 -22.095 1.00 1.87 H new ATOM 0 HG1 THR A 41 18.729 4.621 -21.699 1.00 1.29 H new ATOM 0 HG21 THR A 41 17.660 7.210 -19.961 1.00 2.30 H new ATOM 0 HG22 THR A 41 16.671 7.749 -21.339 1.00 2.30 H new ATOM 0 HG23 THR A 41 16.597 6.055 -20.799 1.00 2.30 H new ATOM 648 N GLU A 42 19.373 5.512 -25.023 1.00 2.61 N ATOM 649 CA GLU A 42 20.323 4.632 -25.777 1.00 2.43 C ATOM 650 C GLU A 42 21.300 3.779 -24.937 1.00 2.12 C ATOM 651 O GLU A 42 21.893 4.225 -23.969 1.00 2.24 O ATOM 652 CB GLU A 42 21.097 5.542 -26.772 1.00 3.08 C ATOM 653 CG GLU A 42 20.222 5.691 -28.068 1.00 6.18 C ATOM 654 CD GLU A 42 20.902 6.559 -29.151 1.00 7.05 C ATOM 655 OE1 GLU A 42 22.014 6.190 -29.492 1.00 6.56 O ATOM 656 OE2 GLU A 42 20.293 7.527 -29.579 1.00 8.60 O ATOM 0 H GLU A 42 19.210 6.422 -25.454 1.00 2.61 H new ATOM 0 HA GLU A 42 19.717 3.874 -26.274 1.00 2.43 H new ATOM 0 HB2 GLU A 42 21.289 6.518 -26.327 1.00 3.08 H new ATOM 0 HB3 GLU A 42 22.066 5.106 -27.014 1.00 3.08 H new ATOM 0 HG2 GLU A 42 20.016 4.702 -28.478 1.00 6.18 H new ATOM 0 HG3 GLU A 42 19.261 6.133 -27.804 1.00 6.18 H new ATOM 663 N ARG A 43 21.424 2.544 -25.346 1.00 2.13 N ATOM 664 CA ARG A 43 22.344 1.592 -24.627 1.00 1.75 C ATOM 665 C ARG A 43 23.817 2.139 -24.600 1.00 1.84 C ATOM 666 O ARG A 43 24.416 2.270 -25.649 1.00 1.93 O ATOM 667 CB ARG A 43 22.236 0.212 -25.355 1.00 1.47 C ATOM 668 CG ARG A 43 23.001 -0.892 -24.566 1.00 1.11 C ATOM 669 CD ARG A 43 22.688 -2.259 -25.213 1.00 1.36 C ATOM 670 NE ARG A 43 23.318 -3.357 -24.383 1.00 1.50 N ATOM 671 CZ ARG A 43 24.249 -4.128 -24.804 1.00 0.63 C ATOM 672 NH1 ARG A 43 25.175 -3.632 -25.513 1.00 2.45 N ATOM 673 NH2 ARG A 43 24.207 -5.353 -24.485 1.00 1.94 N ATOM 0 H ARG A 43 20.931 2.146 -26.146 1.00 2.13 H new ATOM 0 HA ARG A 43 22.053 1.482 -23.582 1.00 1.75 H new ATOM 0 HB2 ARG A 43 21.188 -0.069 -25.458 1.00 1.47 H new ATOM 0 HB3 ARG A 43 22.644 0.294 -26.362 1.00 1.47 H new ATOM 0 HG2 ARG A 43 24.074 -0.699 -24.587 1.00 1.11 H new ATOM 0 HG3 ARG A 43 22.697 -0.889 -23.519 1.00 1.11 H new ATOM 0 HD2 ARG A 43 21.610 -2.407 -25.276 1.00 1.36 H new ATOM 0 HD3 ARG A 43 23.074 -2.290 -26.232 1.00 1.36 H new ATOM 0 HE ARG A 43 22.980 -3.491 -23.430 1.00 1.50 H new ATOM 0 HH11 ARG A 43 25.168 -2.637 -25.737 1.00 2.45 H new ATOM 0 HH12 ARG A 43 25.927 -4.228 -25.859 1.00 2.45 H new ATOM 0 HH21 ARG A 43 23.444 -5.703 -23.906 1.00 1.94 H new ATOM 0 HH22 ARG A 43 24.936 -5.989 -24.807 1.00 1.94 H new ATOM 687 N PRO A 44 24.350 2.446 -23.423 1.00 1.85 N ATOM 688 CA PRO A 44 25.757 2.986 -23.217 1.00 1.91 C ATOM 689 C PRO A 44 27.014 2.404 -23.959 1.00 1.97 C ATOM 690 O PRO A 44 26.969 1.359 -24.581 1.00 2.24 O ATOM 691 CB PRO A 44 25.928 2.923 -21.673 1.00 1.83 C ATOM 692 CG PRO A 44 24.495 3.191 -21.168 1.00 1.85 C ATOM 693 CD PRO A 44 23.629 2.328 -22.115 1.00 1.84 C ATOM 0 HA PRO A 44 25.776 3.959 -23.707 1.00 1.91 H new ATOM 0 HB2 PRO A 44 26.299 1.952 -21.345 1.00 1.83 H new ATOM 0 HB3 PRO A 44 26.633 3.672 -21.312 1.00 1.83 H new ATOM 0 HG2 PRO A 44 24.372 2.896 -20.126 1.00 1.85 H new ATOM 0 HG3 PRO A 44 24.235 4.247 -21.233 1.00 1.85 H new ATOM 0 HD2 PRO A 44 23.569 1.293 -21.778 1.00 1.84 H new ATOM 0 HD3 PRO A 44 22.607 2.701 -22.181 1.00 1.84 H new ATOM 701 N GLY A 45 28.112 3.126 -23.858 1.00 1.80 N ATOM 702 CA GLY A 45 29.432 2.723 -24.502 1.00 1.89 C ATOM 703 C GLY A 45 30.656 2.683 -23.545 1.00 1.96 C ATOM 704 O GLY A 45 31.243 1.646 -23.327 1.00 1.88 O ATOM 0 H GLY A 45 28.158 4.005 -23.343 1.00 1.80 H new ATOM 0 HA2 GLY A 45 29.311 1.737 -24.952 1.00 1.89 H new ATOM 0 HA3 GLY A 45 29.649 3.419 -25.313 1.00 1.89 H new ATOM 708 N MET A 46 31.031 3.816 -23.003 1.00 2.27 N ATOM 709 CA MET A 46 32.205 3.873 -22.057 1.00 2.42 C ATOM 710 C MET A 46 32.300 2.748 -20.998 1.00 2.40 C ATOM 711 O MET A 46 33.183 1.918 -21.069 1.00 2.42 O ATOM 712 CB MET A 46 32.176 5.262 -21.353 1.00 2.74 C ATOM 713 CG MET A 46 32.813 6.299 -22.286 1.00 2.32 C ATOM 714 SD MET A 46 32.165 6.434 -23.973 1.00 2.16 S ATOM 715 CE MET A 46 30.811 7.603 -23.689 1.00 3.13 C ATOM 0 H MET A 46 30.575 4.713 -23.172 1.00 2.27 H new ATOM 0 HA MET A 46 33.092 3.719 -22.671 1.00 2.42 H new ATOM 0 HB2 MET A 46 31.150 5.545 -21.118 1.00 2.74 H new ATOM 0 HB3 MET A 46 32.719 5.219 -20.409 1.00 2.74 H new ATOM 0 HG2 MET A 46 32.720 7.276 -21.813 1.00 2.32 H new ATOM 0 HG3 MET A 46 33.878 6.078 -22.354 1.00 2.32 H new ATOM 0 HE1 MET A 46 30.298 7.801 -24.630 1.00 3.13 H new ATOM 0 HE2 MET A 46 30.106 7.177 -22.975 1.00 3.13 H new ATOM 0 HE3 MET A 46 31.212 8.535 -23.291 1.00 3.13 H new ATOM 725 N LEU A 47 31.413 2.726 -20.039 1.00 2.32 N ATOM 726 CA LEU A 47 31.496 1.639 -19.003 1.00 2.24 C ATOM 727 C LEU A 47 30.398 0.602 -19.268 1.00 2.44 C ATOM 728 O LEU A 47 29.353 0.901 -19.821 1.00 4.56 O ATOM 729 CB LEU A 47 31.334 2.286 -17.594 1.00 2.01 C ATOM 730 CG LEU A 47 32.223 3.546 -17.455 1.00 2.93 C ATOM 731 CD1 LEU A 47 32.134 4.082 -16.029 1.00 4.49 C ATOM 732 CD2 LEU A 47 33.697 3.247 -17.776 1.00 1.49 C ATOM 0 H LEU A 47 30.650 3.393 -19.923 1.00 2.32 H new ATOM 0 HA LEU A 47 32.459 1.131 -19.049 1.00 2.24 H new ATOM 0 HB2 LEU A 47 30.290 2.554 -17.431 1.00 2.01 H new ATOM 0 HB3 LEU A 47 31.601 1.562 -16.825 1.00 2.01 H new ATOM 0 HG LEU A 47 31.857 4.284 -18.169 1.00 2.93 H new ATOM 0 HD11 LEU A 47 32.761 4.969 -15.934 1.00 4.49 H new ATOM 0 HD12 LEU A 47 31.100 4.342 -15.802 1.00 4.49 H new ATOM 0 HD13 LEU A 47 32.478 3.318 -15.331 1.00 4.49 H new ATOM 0 HD21 LEU A 47 34.285 4.158 -17.666 1.00 1.49 H new ATOM 0 HD22 LEU A 47 34.072 2.488 -17.090 1.00 1.49 H new ATOM 0 HD23 LEU A 47 33.780 2.883 -18.800 1.00 1.49 H new ATOM 744 N ASP A 48 30.654 -0.604 -18.844 1.00 0.46 N ATOM 745 CA ASP A 48 29.663 -1.690 -19.062 1.00 0.76 C ATOM 746 C ASP A 48 29.030 -2.184 -17.767 1.00 1.17 C ATOM 747 O ASP A 48 27.865 -1.896 -17.542 1.00 1.70 O ATOM 748 CB ASP A 48 30.436 -2.814 -19.850 1.00 1.00 C ATOM 749 CG ASP A 48 29.492 -3.909 -20.344 1.00 2.87 C ATOM 750 OD1 ASP A 48 28.429 -4.050 -19.766 1.00 4.47 O ATOM 751 OD2 ASP A 48 29.834 -4.585 -21.299 1.00 2.93 O ATOM 0 H ASP A 48 31.506 -0.883 -18.357 1.00 0.46 H new ATOM 0 HA ASP A 48 28.806 -1.336 -19.635 1.00 0.76 H new ATOM 0 HB2 ASP A 48 30.956 -2.371 -20.700 1.00 1.00 H new ATOM 0 HB3 ASP A 48 31.197 -3.253 -19.205 1.00 1.00 H new ATOM 756 N PHE A 49 29.804 -2.894 -16.980 1.00 0.96 N ATOM 757 CA PHE A 49 29.315 -3.440 -15.673 1.00 1.36 C ATOM 758 C PHE A 49 28.320 -2.458 -15.031 1.00 1.19 C ATOM 759 O PHE A 49 27.223 -2.789 -14.643 1.00 1.09 O ATOM 760 CB PHE A 49 30.578 -3.701 -14.768 1.00 1.83 C ATOM 761 CG PHE A 49 31.171 -2.395 -14.210 1.00 2.02 C ATOM 762 CD1 PHE A 49 31.861 -1.487 -14.995 1.00 2.56 C ATOM 763 CD2 PHE A 49 30.986 -2.117 -12.877 1.00 2.13 C ATOM 764 CE1 PHE A 49 32.353 -0.317 -14.445 1.00 3.19 C ATOM 765 CE2 PHE A 49 31.473 -0.958 -12.323 1.00 2.49 C ATOM 766 CZ PHE A 49 32.160 -0.053 -13.104 1.00 3.06 C ATOM 0 H PHE A 49 30.775 -3.123 -17.194 1.00 0.96 H new ATOM 0 HA PHE A 49 28.776 -4.378 -15.807 1.00 1.36 H new ATOM 0 HB2 PHE A 49 30.302 -4.355 -13.941 1.00 1.83 H new ATOM 0 HB3 PHE A 49 31.338 -4.224 -15.349 1.00 1.83 H new ATOM 0 HD1 PHE A 49 32.016 -1.694 -16.044 1.00 2.56 H new ATOM 0 HD2 PHE A 49 30.450 -2.820 -12.256 1.00 2.13 H new ATOM 0 HE1 PHE A 49 32.887 0.389 -15.064 1.00 3.19 H new ATOM 0 HE2 PHE A 49 31.317 -0.755 -11.274 1.00 2.49 H new ATOM 0 HZ PHE A 49 32.545 0.857 -12.669 1.00 3.06 H new ATOM 776 N LYS A 50 28.780 -1.241 -14.962 1.00 1.18 N ATOM 777 CA LYS A 50 27.983 -0.119 -14.374 1.00 1.17 C ATOM 778 C LYS A 50 27.216 0.820 -15.322 1.00 1.10 C ATOM 779 O LYS A 50 26.538 1.716 -14.847 1.00 1.13 O ATOM 780 CB LYS A 50 28.938 0.695 -13.510 1.00 1.30 C ATOM 781 CG LYS A 50 28.146 1.531 -12.490 1.00 1.44 C ATOM 782 CD LYS A 50 28.475 3.028 -12.668 1.00 2.20 C ATOM 783 CE LYS A 50 27.437 3.888 -11.919 1.00 4.73 C ATOM 784 NZ LYS A 50 26.123 3.769 -12.625 1.00 6.52 N ATOM 0 H LYS A 50 29.703 -0.966 -15.298 1.00 1.18 H new ATOM 0 HA LYS A 50 27.171 -0.604 -13.832 1.00 1.17 H new ATOM 0 HB2 LYS A 50 29.627 0.030 -12.990 1.00 1.30 H new ATOM 0 HB3 LYS A 50 29.541 1.350 -14.139 1.00 1.30 H new ATOM 0 HG2 LYS A 50 27.077 1.366 -12.624 1.00 1.44 H new ATOM 0 HG3 LYS A 50 28.393 1.214 -11.477 1.00 1.44 H new ATOM 0 HD2 LYS A 50 29.475 3.237 -12.288 1.00 2.20 H new ATOM 0 HD3 LYS A 50 28.476 3.285 -13.727 1.00 2.20 H new ATOM 0 HE2 LYS A 50 27.343 3.554 -10.886 1.00 4.73 H new ATOM 0 HE3 LYS A 50 27.758 4.929 -11.890 1.00 4.73 H new ATOM 0 HZ1 LYS A 50 25.807 4.711 -12.932 1.00 6.52 H new ATOM 0 HZ2 LYS A 50 26.230 3.152 -13.455 1.00 6.52 H new ATOM 0 HZ3 LYS A 50 25.418 3.361 -11.979 1.00 6.52 H new ATOM 798 N GLY A 51 27.368 0.630 -16.608 1.00 1.16 N ATOM 799 CA GLY A 51 26.645 1.473 -17.640 1.00 1.21 C ATOM 800 C GLY A 51 25.539 0.668 -18.366 1.00 1.14 C ATOM 801 O GLY A 51 24.366 1.011 -18.273 1.00 1.16 O ATOM 0 H GLY A 51 27.974 -0.087 -17.006 1.00 1.16 H new ATOM 0 HA2 GLY A 51 26.202 2.342 -17.154 1.00 1.21 H new ATOM 0 HA3 GLY A 51 27.362 1.847 -18.371 1.00 1.21 H new ATOM 805 N LYS A 52 25.970 -0.371 -19.056 1.00 1.08 N ATOM 806 CA LYS A 52 25.041 -1.286 -19.827 1.00 0.92 C ATOM 807 C LYS A 52 24.355 -2.433 -19.037 1.00 0.71 C ATOM 808 O LYS A 52 23.178 -2.638 -19.210 1.00 0.44 O ATOM 809 CB LYS A 52 25.807 -1.963 -20.934 1.00 0.99 C ATOM 810 CG LYS A 52 26.443 -0.984 -21.909 1.00 1.08 C ATOM 811 CD LYS A 52 27.808 -1.564 -22.312 1.00 1.41 C ATOM 812 CE LYS A 52 27.747 -2.931 -23.079 1.00 1.34 C ATOM 813 NZ LYS A 52 27.388 -4.106 -22.201 1.00 3.85 N ATOM 0 H LYS A 52 26.954 -0.632 -19.120 1.00 1.08 H new ATOM 0 HA LYS A 52 24.253 -0.609 -20.155 1.00 0.92 H new ATOM 0 HB2 LYS A 52 26.586 -2.589 -20.498 1.00 0.99 H new ATOM 0 HB3 LYS A 52 25.135 -2.625 -21.480 1.00 0.99 H new ATOM 0 HG2 LYS A 52 25.809 -0.848 -22.785 1.00 1.08 H new ATOM 0 HG3 LYS A 52 26.563 -0.004 -21.447 1.00 1.08 H new ATOM 0 HD2 LYS A 52 28.325 -0.836 -22.938 1.00 1.41 H new ATOM 0 HD3 LYS A 52 28.410 -1.696 -21.413 1.00 1.41 H new ATOM 0 HE2 LYS A 52 27.016 -2.853 -23.883 1.00 1.34 H new ATOM 0 HE3 LYS A 52 28.714 -3.119 -23.545 1.00 1.34 H new ATOM 0 HZ1 LYS A 52 28.092 -4.861 -22.327 1.00 3.85 H new ATOM 0 HZ2 LYS A 52 27.377 -3.805 -21.206 1.00 3.85 H new ATOM 0 HZ3 LYS A 52 26.447 -4.462 -22.465 1.00 3.85 H new ATOM 827 N ALA A 53 25.093 -3.124 -18.202 1.00 0.85 N ATOM 828 CA ALA A 53 24.510 -4.260 -17.412 1.00 0.68 C ATOM 829 C ALA A 53 23.168 -3.813 -16.836 1.00 0.41 C ATOM 830 O ALA A 53 22.144 -4.441 -16.967 1.00 0.30 O ATOM 831 CB ALA A 53 25.495 -4.631 -16.265 1.00 0.88 C ATOM 0 H ALA A 53 26.083 -2.950 -18.031 1.00 0.85 H new ATOM 0 HA ALA A 53 24.357 -5.134 -18.045 1.00 0.68 H new ATOM 0 HB1 ALA A 53 25.082 -5.456 -15.684 1.00 0.88 H new ATOM 0 HB2 ALA A 53 26.453 -4.931 -16.691 1.00 0.88 H new ATOM 0 HB3 ALA A 53 25.640 -3.767 -15.617 1.00 0.88 H new ATOM 837 N LYS A 54 23.274 -2.680 -16.204 1.00 0.52 N ATOM 838 CA LYS A 54 22.118 -2.010 -15.544 1.00 0.51 C ATOM 839 C LYS A 54 21.065 -1.571 -16.610 1.00 0.36 C ATOM 840 O LYS A 54 19.879 -1.505 -16.356 1.00 0.44 O ATOM 841 CB LYS A 54 22.781 -0.863 -14.756 1.00 0.58 C ATOM 842 CG LYS A 54 22.754 0.394 -15.626 1.00 1.15 C ATOM 843 CD LYS A 54 23.760 1.389 -15.158 1.00 1.26 C ATOM 844 CE LYS A 54 23.297 2.814 -15.460 1.00 2.12 C ATOM 845 NZ LYS A 54 22.988 2.962 -16.910 1.00 2.30 N ATOM 0 H LYS A 54 24.152 -2.169 -16.114 1.00 0.52 H new ATOM 0 HA LYS A 54 21.536 -2.640 -14.871 1.00 0.51 H new ATOM 0 HB2 LYS A 54 22.250 -0.689 -13.820 1.00 0.58 H new ATOM 0 HB3 LYS A 54 23.807 -1.124 -14.497 1.00 0.58 H new ATOM 0 HG2 LYS A 54 22.956 0.127 -16.663 1.00 1.15 H new ATOM 0 HG3 LYS A 54 21.759 0.838 -15.599 1.00 1.15 H new ATOM 0 HD2 LYS A 54 23.920 1.274 -14.086 1.00 1.26 H new ATOM 0 HD3 LYS A 54 24.717 1.202 -15.645 1.00 1.26 H new ATOM 0 HE2 LYS A 54 22.413 3.050 -14.867 1.00 2.12 H new ATOM 0 HE3 LYS A 54 24.072 3.524 -15.172 1.00 2.12 H new ATOM 0 HZ1 LYS A 54 23.402 3.848 -17.264 1.00 2.30 H new ATOM 0 HZ2 LYS A 54 23.389 2.158 -17.434 1.00 2.30 H new ATOM 0 HZ3 LYS A 54 21.957 2.983 -17.045 1.00 2.30 H new ATOM 859 N TRP A 55 21.496 -1.313 -17.821 1.00 0.50 N ATOM 860 CA TRP A 55 20.579 -0.877 -18.928 1.00 0.35 C ATOM 861 C TRP A 55 19.862 -2.184 -19.248 1.00 0.20 C ATOM 862 O TRP A 55 18.675 -2.329 -19.010 1.00 0.58 O ATOM 863 CB TRP A 55 21.469 -0.399 -20.073 1.00 0.34 C ATOM 864 CG TRP A 55 20.620 0.370 -21.048 1.00 0.44 C ATOM 865 CD1 TRP A 55 20.346 1.686 -20.877 1.00 0.65 C ATOM 866 CD2 TRP A 55 20.011 -0.113 -22.160 1.00 0.48 C ATOM 867 NE1 TRP A 55 19.578 1.928 -21.910 1.00 0.72 N ATOM 868 CE2 TRP A 55 19.314 0.935 -22.736 1.00 0.68 C ATOM 869 CE3 TRP A 55 19.962 -1.373 -22.775 1.00 0.50 C ATOM 870 CZ2 TRP A 55 18.570 0.760 -23.895 1.00 0.85 C ATOM 871 CZ3 TRP A 55 19.217 -1.555 -23.943 1.00 0.74 C ATOM 872 CH2 TRP A 55 18.518 -0.490 -24.505 1.00 0.89 C ATOM 0 H TRP A 55 22.475 -1.388 -18.098 1.00 0.50 H new ATOM 0 HA TRP A 55 19.879 -0.070 -18.712 1.00 0.35 H new ATOM 0 HB2 TRP A 55 22.272 0.231 -19.691 1.00 0.34 H new ATOM 0 HB3 TRP A 55 21.939 -1.249 -20.568 1.00 0.34 H new ATOM 0 HD1 TRP A 55 20.674 2.357 -20.097 1.00 0.65 H new ATOM 0 HE1 TRP A 55 19.195 2.859 -22.071 1.00 0.72 H new ATOM 0 HE3 TRP A 55 20.501 -2.204 -22.345 1.00 0.50 H new ATOM 0 HZ2 TRP A 55 18.032 1.593 -24.323 1.00 0.85 H new ATOM 0 HZ3 TRP A 55 19.183 -2.527 -24.412 1.00 0.74 H new ATOM 0 HH2 TRP A 55 17.940 -0.633 -25.406 1.00 0.89 H new ATOM 883 N ASP A 56 20.628 -3.076 -19.825 1.00 0.29 N ATOM 884 CA ASP A 56 20.177 -4.441 -20.201 1.00 0.19 C ATOM 885 C ASP A 56 19.167 -4.889 -19.129 1.00 0.24 C ATOM 886 O ASP A 56 18.008 -5.096 -19.413 1.00 0.28 O ATOM 887 CB ASP A 56 21.578 -5.140 -20.313 1.00 0.32 C ATOM 888 CG ASP A 56 22.204 -4.674 -21.632 1.00 0.43 C ATOM 889 OD1 ASP A 56 22.700 -3.567 -21.647 1.00 2.45 O ATOM 890 OD2 ASP A 56 22.199 -5.384 -22.617 1.00 1.49 O ATOM 0 H ASP A 56 21.604 -2.895 -20.061 1.00 0.29 H new ATOM 0 HA ASP A 56 19.615 -4.631 -21.115 1.00 0.19 H new ATOM 0 HB2 ASP A 56 22.212 -4.871 -19.468 1.00 0.32 H new ATOM 0 HB3 ASP A 56 21.471 -6.225 -20.298 1.00 0.32 H new ATOM 895 N ALA A 57 19.625 -4.999 -17.911 1.00 0.21 N ATOM 896 CA ALA A 57 18.769 -5.413 -16.761 1.00 0.19 C ATOM 897 C ALA A 57 17.345 -4.754 -16.734 1.00 0.18 C ATOM 898 O ALA A 57 16.382 -5.356 -16.310 1.00 0.05 O ATOM 899 CB ALA A 57 19.597 -5.077 -15.514 1.00 0.18 C ATOM 0 H ALA A 57 20.595 -4.811 -17.657 1.00 0.21 H new ATOM 0 HA ALA A 57 18.530 -6.474 -16.830 1.00 0.19 H new ATOM 0 HB1 ALA A 57 19.037 -5.352 -14.620 1.00 0.18 H new ATOM 0 HB2 ALA A 57 20.535 -5.632 -15.539 1.00 0.18 H new ATOM 0 HB3 ALA A 57 19.809 -4.008 -15.495 1.00 0.18 H new ATOM 905 N TRP A 58 17.236 -3.531 -17.194 1.00 0.32 N ATOM 906 CA TRP A 58 15.935 -2.768 -17.235 1.00 0.35 C ATOM 907 C TRP A 58 15.259 -2.895 -18.637 1.00 0.38 C ATOM 908 O TRP A 58 14.057 -2.754 -18.794 1.00 0.52 O ATOM 909 CB TRP A 58 16.241 -1.283 -16.878 1.00 0.46 C ATOM 910 CG TRP A 58 14.940 -0.465 -16.990 1.00 0.35 C ATOM 911 CD1 TRP A 58 13.702 -0.973 -16.776 1.00 0.51 C ATOM 912 CD2 TRP A 58 14.824 0.833 -17.320 1.00 0.34 C ATOM 913 NE1 TRP A 58 12.900 0.049 -16.997 1.00 0.41 N ATOM 914 CE2 TRP A 58 13.482 1.186 -17.329 1.00 0.40 C ATOM 915 CE3 TRP A 58 15.789 1.784 -17.623 1.00 0.54 C ATOM 916 CZ2 TRP A 58 13.106 2.483 -17.642 1.00 0.64 C ATOM 917 CZ3 TRP A 58 15.410 3.092 -17.939 1.00 0.83 C ATOM 918 CH2 TRP A 58 14.069 3.443 -17.950 1.00 0.88 C ATOM 0 H TRP A 58 18.028 -3.003 -17.560 1.00 0.32 H new ATOM 0 HA TRP A 58 15.230 -3.180 -16.513 1.00 0.35 H new ATOM 0 HB2 TRP A 58 16.644 -1.213 -15.868 1.00 0.46 H new ATOM 0 HB3 TRP A 58 16.998 -0.882 -17.552 1.00 0.46 H new ATOM 0 HD1 TRP A 58 13.435 -1.980 -16.491 1.00 0.51 H new ATOM 0 HE1 TRP A 58 11.887 -0.034 -16.916 1.00 0.41 H new ATOM 0 HE3 TRP A 58 16.834 1.513 -17.615 1.00 0.54 H new ATOM 0 HZ2 TRP A 58 12.060 2.752 -17.647 1.00 0.64 H new ATOM 0 HZ3 TRP A 58 16.163 3.830 -18.175 1.00 0.83 H new ATOM 0 HH2 TRP A 58 13.773 4.452 -18.195 1.00 0.88 H new ATOM 929 N ASN A 59 16.085 -3.162 -19.606 1.00 0.39 N ATOM 930 CA ASN A 59 15.627 -3.333 -21.015 1.00 0.40 C ATOM 931 C ASN A 59 14.922 -4.706 -21.007 1.00 0.29 C ATOM 932 O ASN A 59 13.886 -4.865 -21.614 1.00 0.26 O ATOM 933 CB ASN A 59 16.816 -3.375 -21.979 1.00 0.34 C ATOM 934 CG ASN A 59 16.215 -3.502 -23.367 1.00 0.65 C ATOM 935 OD1 ASN A 59 15.708 -2.564 -23.950 1.00 0.77 O ATOM 936 ND2 ASN A 59 16.241 -4.670 -23.913 1.00 1.37 N ATOM 0 H ASN A 59 17.091 -3.273 -19.478 1.00 0.39 H new ATOM 0 HA ASN A 59 14.987 -2.514 -21.342 1.00 0.40 H new ATOM 0 HB2 ASN A 59 17.420 -2.472 -21.895 1.00 0.34 H new ATOM 0 HB3 ASN A 59 17.470 -4.218 -21.757 1.00 0.34 H new ATOM 0 HD21 ASN A 59 15.835 -4.810 -24.838 1.00 1.37 H new ATOM 0 HD22 ASN A 59 16.668 -5.454 -23.420 1.00 1.37 H new ATOM 943 N GLU A 60 15.480 -5.667 -20.322 1.00 0.26 N ATOM 944 CA GLU A 60 14.853 -7.027 -20.248 1.00 0.15 C ATOM 945 C GLU A 60 13.458 -6.954 -19.638 1.00 0.25 C ATOM 946 O GLU A 60 12.676 -7.878 -19.734 1.00 0.34 O ATOM 947 CB GLU A 60 15.722 -7.968 -19.377 1.00 0.37 C ATOM 948 CG GLU A 60 16.792 -8.687 -20.236 1.00 1.95 C ATOM 949 CD GLU A 60 17.814 -7.719 -20.831 1.00 4.29 C ATOM 950 OE1 GLU A 60 17.456 -6.997 -21.758 1.00 5.17 O ATOM 951 OE2 GLU A 60 18.903 -7.791 -20.288 1.00 5.80 O ATOM 0 H GLU A 60 16.353 -5.571 -19.803 1.00 0.26 H new ATOM 0 HA GLU A 60 14.782 -7.414 -21.265 1.00 0.15 H new ATOM 0 HB2 GLU A 60 16.209 -7.394 -18.589 1.00 0.37 H new ATOM 0 HB3 GLU A 60 15.087 -8.706 -18.888 1.00 0.37 H new ATOM 0 HG2 GLU A 60 17.310 -9.425 -19.623 1.00 1.95 H new ATOM 0 HG3 GLU A 60 16.300 -9.231 -21.042 1.00 1.95 H new ATOM 958 N LEU A 61 13.167 -5.846 -19.024 1.00 0.34 N ATOM 959 CA LEU A 61 11.839 -5.641 -18.380 1.00 0.49 C ATOM 960 C LEU A 61 11.024 -4.642 -19.225 1.00 0.67 C ATOM 961 O LEU A 61 9.920 -4.256 -18.875 1.00 0.96 O ATOM 962 CB LEU A 61 12.081 -5.108 -16.937 1.00 0.38 C ATOM 963 CG LEU A 61 13.088 -5.956 -16.127 1.00 0.40 C ATOM 964 CD1 LEU A 61 13.038 -5.488 -14.668 1.00 0.45 C ATOM 965 CD2 LEU A 61 12.744 -7.443 -16.168 1.00 0.40 C ATOM 0 H LEU A 61 13.806 -5.055 -18.938 1.00 0.34 H new ATOM 0 HA LEU A 61 11.274 -6.571 -18.321 1.00 0.49 H new ATOM 0 HB2 LEU A 61 12.445 -4.082 -16.993 1.00 0.38 H new ATOM 0 HB3 LEU A 61 11.130 -5.080 -16.404 1.00 0.38 H new ATOM 0 HG LEU A 61 14.078 -5.825 -16.563 1.00 0.40 H new ATOM 0 HD11 LEU A 61 13.741 -6.072 -14.074 1.00 0.45 H new ATOM 0 HD12 LEU A 61 13.307 -4.433 -14.615 1.00 0.45 H new ATOM 0 HD13 LEU A 61 12.030 -5.626 -14.276 1.00 0.45 H new ATOM 0 HD21 LEU A 61 13.477 -8.002 -15.586 1.00 0.40 H new ATOM 0 HD22 LEU A 61 11.751 -7.598 -15.746 1.00 0.40 H new ATOM 0 HD23 LEU A 61 12.758 -7.791 -17.201 1.00 0.40 H new ATOM 977 N LYS A 62 11.559 -4.237 -20.347 1.00 0.57 N ATOM 978 CA LYS A 62 10.845 -3.274 -21.235 1.00 0.78 C ATOM 979 C LYS A 62 9.609 -4.131 -21.621 1.00 1.69 C ATOM 980 O LYS A 62 9.741 -5.213 -22.166 1.00 3.87 O ATOM 981 CB LYS A 62 11.847 -2.936 -22.409 1.00 0.44 C ATOM 982 CG LYS A 62 11.320 -1.742 -23.206 1.00 0.46 C ATOM 983 CD LYS A 62 12.199 -1.380 -24.457 1.00 1.93 C ATOM 984 CE LYS A 62 11.394 -0.399 -25.331 1.00 1.76 C ATOM 985 NZ LYS A 62 11.334 0.958 -24.691 1.00 2.55 N ATOM 0 H LYS A 62 12.472 -4.537 -20.689 1.00 0.57 H new ATOM 0 HA LYS A 62 10.533 -2.305 -20.845 1.00 0.78 H new ATOM 0 HB2 LYS A 62 12.833 -2.709 -22.005 1.00 0.44 H new ATOM 0 HB3 LYS A 62 11.962 -3.800 -23.063 1.00 0.44 H new ATOM 0 HG2 LYS A 62 10.304 -1.957 -23.537 1.00 0.46 H new ATOM 0 HG3 LYS A 62 11.264 -0.874 -22.549 1.00 0.46 H new ATOM 0 HD2 LYS A 62 13.141 -0.929 -24.144 1.00 1.93 H new ATOM 0 HD3 LYS A 62 12.448 -2.278 -25.022 1.00 1.93 H new ATOM 0 HE2 LYS A 62 11.853 -0.321 -26.316 1.00 1.76 H new ATOM 0 HE3 LYS A 62 10.384 -0.781 -25.479 1.00 1.76 H new ATOM 0 HZ1 LYS A 62 11.389 1.691 -25.426 1.00 2.55 H new ATOM 0 HZ2 LYS A 62 10.439 1.057 -24.170 1.00 2.55 H new ATOM 0 HZ3 LYS A 62 12.132 1.067 -24.033 1.00 2.55 H new ATOM 999 N GLY A 63 8.444 -3.620 -21.328 1.00 0.43 N ATOM 1000 CA GLY A 63 7.185 -4.378 -21.636 1.00 0.95 C ATOM 1001 C GLY A 63 6.465 -4.846 -20.353 1.00 0.75 C ATOM 1002 O GLY A 63 5.315 -5.229 -20.424 1.00 0.58 O ATOM 0 H GLY A 63 8.304 -2.710 -20.888 1.00 0.43 H new ATOM 0 HA2 GLY A 63 6.514 -3.746 -22.218 1.00 0.95 H new ATOM 0 HA3 GLY A 63 7.424 -5.243 -22.254 1.00 0.95 H new ATOM 1006 N THR A 64 7.131 -4.815 -19.222 1.00 0.93 N ATOM 1007 CA THR A 64 6.477 -5.262 -17.928 1.00 0.88 C ATOM 1008 C THR A 64 5.646 -4.147 -17.270 1.00 0.65 C ATOM 1009 O THR A 64 5.737 -2.977 -17.593 1.00 0.61 O ATOM 1010 CB THR A 64 7.590 -5.749 -16.918 1.00 1.16 C ATOM 1011 OG1 THR A 64 7.767 -7.127 -17.201 1.00 1.95 O ATOM 1012 CG2 THR A 64 7.178 -5.808 -15.426 1.00 0.88 C ATOM 0 H THR A 64 8.097 -4.502 -19.129 1.00 0.93 H new ATOM 0 HA THR A 64 5.795 -6.076 -18.173 1.00 0.88 H new ATOM 0 HB THR A 64 8.423 -5.057 -17.041 1.00 1.16 H new ATOM 0 HG1 THR A 64 8.452 -7.498 -16.606 1.00 1.95 H new ATOM 0 HG21 THR A 64 8.021 -6.155 -14.829 1.00 0.88 H new ATOM 0 HG22 THR A 64 6.881 -4.814 -15.091 1.00 0.88 H new ATOM 0 HG23 THR A 64 6.341 -6.496 -15.307 1.00 0.88 H new ATOM 1020 N SER A 65 4.832 -4.547 -16.332 1.00 0.61 N ATOM 1021 CA SER A 65 3.968 -3.556 -15.611 1.00 0.48 C ATOM 1022 C SER A 65 4.678 -2.989 -14.362 1.00 0.46 C ATOM 1023 O SER A 65 5.231 -3.718 -13.555 1.00 0.51 O ATOM 1024 CB SER A 65 2.666 -4.291 -15.247 1.00 0.55 C ATOM 1025 OG SER A 65 2.209 -4.734 -16.527 1.00 3.15 O ATOM 0 H SER A 65 4.724 -5.515 -16.030 1.00 0.61 H new ATOM 0 HA SER A 65 3.756 -2.693 -16.242 1.00 0.48 H new ATOM 0 HB2 SER A 65 2.844 -5.124 -14.566 1.00 0.55 H new ATOM 0 HB3 SER A 65 1.946 -3.631 -14.762 1.00 0.55 H new ATOM 0 HG SER A 65 1.369 -5.227 -16.422 1.00 3.15 H new ATOM 1031 N LYS A 66 4.635 -1.679 -14.221 1.00 0.41 N ATOM 1032 CA LYS A 66 5.292 -0.989 -13.052 1.00 0.41 C ATOM 1033 C LYS A 66 5.050 -1.803 -11.799 1.00 0.44 C ATOM 1034 O LYS A 66 5.953 -2.223 -11.120 1.00 0.64 O ATOM 1035 CB LYS A 66 4.699 0.441 -12.942 1.00 0.40 C ATOM 1036 CG LYS A 66 4.989 1.222 -14.247 1.00 0.61 C ATOM 1037 CD LYS A 66 3.903 2.311 -14.493 1.00 1.24 C ATOM 1038 CE LYS A 66 2.472 1.709 -14.600 1.00 3.96 C ATOM 1039 NZ LYS A 66 1.561 2.764 -15.143 1.00 4.47 N ATOM 0 H LYS A 66 4.167 -1.050 -14.874 1.00 0.41 H new ATOM 0 HA LYS A 66 6.370 -0.907 -13.188 1.00 0.41 H new ATOM 0 HB2 LYS A 66 3.624 0.388 -12.768 1.00 0.40 H new ATOM 0 HB3 LYS A 66 5.134 0.962 -12.089 1.00 0.40 H new ATOM 0 HG2 LYS A 66 5.972 1.689 -14.186 1.00 0.61 H new ATOM 0 HG3 LYS A 66 5.016 0.532 -15.091 1.00 0.61 H new ATOM 0 HD2 LYS A 66 3.929 3.036 -13.680 1.00 1.24 H new ATOM 0 HD3 LYS A 66 4.136 2.852 -15.410 1.00 1.24 H new ATOM 0 HE2 LYS A 66 2.475 0.836 -15.253 1.00 3.96 H new ATOM 0 HE3 LYS A 66 2.126 1.375 -13.622 1.00 3.96 H new ATOM 0 HZ1 LYS A 66 0.597 2.382 -15.223 1.00 4.47 H new ATOM 0 HZ2 LYS A 66 1.557 3.583 -14.502 1.00 4.47 H new ATOM 0 HZ3 LYS A 66 1.895 3.061 -16.082 1.00 4.47 H new ATOM 1053 N GLU A 67 3.800 -1.975 -11.560 1.00 0.30 N ATOM 1054 CA GLU A 67 3.255 -2.738 -10.421 1.00 0.33 C ATOM 1055 C GLU A 67 4.119 -3.994 -10.065 1.00 0.26 C ATOM 1056 O GLU A 67 4.482 -4.234 -8.927 1.00 0.39 O ATOM 1057 CB GLU A 67 1.822 -3.018 -10.898 1.00 0.35 C ATOM 1058 CG GLU A 67 0.913 -1.682 -10.987 1.00 0.81 C ATOM 1059 CD GLU A 67 1.410 -0.581 -11.952 1.00 3.25 C ATOM 1060 OE1 GLU A 67 1.511 -0.880 -13.137 1.00 4.51 O ATOM 1061 OE2 GLU A 67 1.677 0.507 -11.465 1.00 4.76 O ATOM 0 H GLU A 67 3.073 -1.584 -12.159 1.00 0.30 H new ATOM 0 HA GLU A 67 3.268 -2.215 -9.465 1.00 0.33 H new ATOM 0 HB2 GLU A 67 1.858 -3.493 -11.879 1.00 0.35 H new ATOM 0 HB3 GLU A 67 1.350 -3.727 -10.218 1.00 0.35 H new ATOM 0 HG2 GLU A 67 -0.094 -1.972 -11.288 1.00 0.81 H new ATOM 0 HG3 GLU A 67 0.836 -1.253 -9.988 1.00 0.81 H new ATOM 1068 N ASP A 68 4.443 -4.766 -11.063 1.00 0.16 N ATOM 1069 CA ASP A 68 5.262 -5.997 -10.894 1.00 0.34 C ATOM 1070 C ASP A 68 6.681 -5.668 -10.464 1.00 0.30 C ATOM 1071 O ASP A 68 7.307 -6.340 -9.671 1.00 0.47 O ATOM 1072 CB ASP A 68 5.237 -6.665 -12.220 1.00 0.52 C ATOM 1073 CG ASP A 68 3.871 -7.194 -12.618 1.00 1.03 C ATOM 1074 OD1 ASP A 68 2.897 -6.897 -11.943 1.00 0.63 O ATOM 1075 OD2 ASP A 68 3.913 -7.879 -13.617 1.00 2.88 O ATOM 0 H ASP A 68 4.162 -4.586 -12.027 1.00 0.16 H new ATOM 0 HA ASP A 68 4.864 -6.641 -10.110 1.00 0.34 H new ATOM 0 HB2 ASP A 68 5.577 -5.959 -12.978 1.00 0.52 H new ATOM 0 HB3 ASP A 68 5.948 -7.492 -12.213 1.00 0.52 H new ATOM 1080 N ALA A 69 7.104 -4.591 -11.039 1.00 0.13 N ATOM 1081 CA ALA A 69 8.466 -4.069 -10.771 1.00 0.15 C ATOM 1082 C ALA A 69 8.379 -3.536 -9.340 1.00 0.25 C ATOM 1083 O ALA A 69 9.336 -3.638 -8.614 1.00 0.43 O ATOM 1084 CB ALA A 69 8.781 -2.962 -11.756 1.00 0.16 C ATOM 0 H ALA A 69 6.556 -4.037 -11.697 1.00 0.13 H new ATOM 0 HA ALA A 69 9.253 -4.815 -10.878 1.00 0.15 H new ATOM 0 HB1 ALA A 69 9.782 -2.576 -11.562 1.00 0.16 H new ATOM 0 HB2 ALA A 69 8.734 -3.355 -12.772 1.00 0.16 H new ATOM 0 HB3 ALA A 69 8.054 -2.158 -11.644 1.00 0.16 H new ATOM 1090 N MET A 70 7.258 -2.977 -8.955 1.00 0.23 N ATOM 1091 CA MET A 70 7.152 -2.466 -7.561 1.00 0.30 C ATOM 1092 C MET A 70 7.268 -3.696 -6.697 1.00 0.30 C ATOM 1093 O MET A 70 8.165 -3.694 -5.877 1.00 0.37 O ATOM 1094 CB MET A 70 5.776 -1.739 -7.334 1.00 0.31 C ATOM 1095 CG MET A 70 5.765 -0.376 -8.050 1.00 0.28 C ATOM 1096 SD MET A 70 4.228 0.572 -7.933 1.00 0.32 S ATOM 1097 CE MET A 70 4.395 1.647 -9.382 1.00 0.54 C ATOM 0 H MET A 70 6.428 -2.855 -9.536 1.00 0.23 H new ATOM 0 HA MET A 70 7.921 -1.729 -7.329 1.00 0.30 H new ATOM 0 HB2 MET A 70 4.963 -2.361 -7.709 1.00 0.31 H new ATOM 0 HB3 MET A 70 5.604 -1.598 -6.267 1.00 0.31 H new ATOM 0 HG2 MET A 70 6.574 0.231 -7.644 1.00 0.28 H new ATOM 0 HG3 MET A 70 5.987 -0.540 -9.104 1.00 0.28 H new ATOM 0 HE1 MET A 70 4.390 2.690 -9.064 1.00 0.54 H new ATOM 0 HE2 MET A 70 5.333 1.428 -9.892 1.00 0.54 H new ATOM 0 HE3 MET A 70 3.562 1.471 -10.063 1.00 0.54 H new ATOM 1107 N LYS A 71 6.411 -4.676 -6.898 1.00 0.28 N ATOM 1108 CA LYS A 71 6.502 -5.911 -6.069 1.00 0.27 C ATOM 1109 C LYS A 71 7.969 -6.351 -6.021 1.00 0.38 C ATOM 1110 O LYS A 71 8.645 -6.188 -5.036 1.00 0.63 O ATOM 1111 CB LYS A 71 5.682 -7.098 -6.669 1.00 0.26 C ATOM 1112 CG LYS A 71 4.156 -6.959 -6.503 1.00 0.35 C ATOM 1113 CD LYS A 71 3.530 -8.280 -7.061 1.00 2.67 C ATOM 1114 CE LYS A 71 2.019 -8.337 -6.808 1.00 3.06 C ATOM 1115 NZ LYS A 71 1.490 -9.667 -7.270 1.00 5.65 N ATOM 0 H LYS A 71 5.664 -4.668 -7.593 1.00 0.28 H new ATOM 0 HA LYS A 71 6.099 -5.675 -5.084 1.00 0.27 H new ATOM 0 HB2 LYS A 71 5.914 -7.186 -7.730 1.00 0.26 H new ATOM 0 HB3 LYS A 71 6.005 -8.025 -6.194 1.00 0.26 H new ATOM 0 HG2 LYS A 71 3.891 -6.815 -5.456 1.00 0.35 H new ATOM 0 HG3 LYS A 71 3.783 -6.092 -7.048 1.00 0.35 H new ATOM 0 HD2 LYS A 71 3.724 -8.352 -8.131 1.00 2.67 H new ATOM 0 HD3 LYS A 71 4.011 -9.138 -6.592 1.00 2.67 H new ATOM 0 HE2 LYS A 71 1.810 -8.198 -5.747 1.00 3.06 H new ATOM 0 HE3 LYS A 71 1.518 -7.528 -7.340 1.00 3.06 H new ATOM 0 HZ1 LYS A 71 0.465 -9.711 -7.100 1.00 5.65 H new ATOM 0 HZ2 LYS A 71 1.678 -9.781 -8.286 1.00 5.65 H new ATOM 0 HZ3 LYS A 71 1.961 -10.430 -6.743 1.00 5.65 H new ATOM 1129 N ALA A 72 8.440 -6.856 -7.123 1.00 0.27 N ATOM 1130 CA ALA A 72 9.836 -7.333 -7.196 1.00 0.41 C ATOM 1131 C ALA A 72 10.897 -6.315 -6.651 1.00 0.30 C ATOM 1132 O ALA A 72 11.851 -6.707 -6.003 1.00 0.25 O ATOM 1133 CB ALA A 72 9.902 -7.718 -8.681 1.00 0.62 C ATOM 0 H ALA A 72 7.906 -6.958 -7.986 1.00 0.27 H new ATOM 0 HA ALA A 72 10.096 -8.164 -6.540 1.00 0.41 H new ATOM 0 HB1 ALA A 72 10.895 -8.102 -8.914 1.00 0.62 H new ATOM 0 HB2 ALA A 72 9.158 -8.486 -8.891 1.00 0.62 H new ATOM 0 HB3 ALA A 72 9.700 -6.840 -9.294 1.00 0.62 H new ATOM 1139 N TYR A 73 10.728 -5.045 -6.901 1.00 0.27 N ATOM 1140 CA TYR A 73 11.717 -4.052 -6.395 1.00 0.20 C ATOM 1141 C TYR A 73 11.733 -4.136 -4.890 1.00 0.19 C ATOM 1142 O TYR A 73 12.753 -4.412 -4.296 1.00 0.16 O ATOM 1143 CB TYR A 73 11.293 -2.646 -6.819 1.00 0.23 C ATOM 1144 CG TYR A 73 12.253 -1.579 -6.275 1.00 0.23 C ATOM 1145 CD1 TYR A 73 13.504 -1.446 -6.823 1.00 0.18 C ATOM 1146 CD2 TYR A 73 11.889 -0.724 -5.249 1.00 0.30 C ATOM 1147 CE1 TYR A 73 14.366 -0.489 -6.362 1.00 0.23 C ATOM 1148 CE2 TYR A 73 12.769 0.240 -4.797 1.00 0.33 C ATOM 1149 CZ TYR A 73 14.014 0.364 -5.351 1.00 0.30 C ATOM 1150 OH TYR A 73 14.874 1.336 -4.881 1.00 0.33 O ATOM 0 H TYR A 73 9.950 -4.653 -7.432 1.00 0.27 H new ATOM 0 HA TYR A 73 12.707 -4.262 -6.801 1.00 0.20 H new ATOM 0 HB2 TYR A 73 11.261 -2.587 -7.907 1.00 0.23 H new ATOM 0 HB3 TYR A 73 10.284 -2.446 -6.460 1.00 0.23 H new ATOM 0 HD1 TYR A 73 13.810 -2.102 -7.624 1.00 0.18 H new ATOM 0 HD2 TYR A 73 10.911 -0.811 -4.799 1.00 0.30 H new ATOM 0 HE1 TYR A 73 15.347 -0.405 -6.806 1.00 0.23 H new ATOM 0 HE2 TYR A 73 12.471 0.903 -3.998 1.00 0.33 H new ATOM 0 HH TYR A 73 14.637 2.201 -5.276 1.00 0.33 H new ATOM 1160 N ILE A 74 10.572 -3.913 -4.336 1.00 0.23 N ATOM 1161 CA ILE A 74 10.403 -3.940 -2.855 1.00 0.19 C ATOM 1162 C ILE A 74 10.781 -5.316 -2.274 1.00 0.26 C ATOM 1163 O ILE A 74 11.383 -5.399 -1.228 1.00 0.48 O ATOM 1164 CB ILE A 74 8.940 -3.606 -2.527 1.00 0.39 C ATOM 1165 CG1 ILE A 74 8.571 -2.236 -3.135 1.00 0.49 C ATOM 1166 CG2 ILE A 74 8.839 -3.469 -0.964 1.00 0.53 C ATOM 1167 CD1 ILE A 74 7.031 -2.098 -3.107 1.00 0.74 C ATOM 0 H ILE A 74 9.719 -3.710 -4.857 1.00 0.23 H new ATOM 0 HA ILE A 74 11.068 -3.204 -2.404 1.00 0.19 H new ATOM 0 HB ILE A 74 8.279 -4.378 -2.921 1.00 0.39 H new ATOM 0 HG12 ILE A 74 9.036 -1.430 -2.567 1.00 0.49 H new ATOM 0 HG13 ILE A 74 8.942 -2.161 -4.157 1.00 0.49 H new ATOM 0 HG21 ILE A 74 7.812 -3.231 -0.685 1.00 0.53 H new ATOM 0 HG22 ILE A 74 9.133 -4.409 -0.497 1.00 0.53 H new ATOM 0 HG23 ILE A 74 9.501 -2.672 -0.625 1.00 0.53 H new ATOM 0 HD11 ILE A 74 6.744 -1.136 -3.532 1.00 0.74 H new ATOM 0 HD12 ILE A 74 6.583 -2.901 -3.692 1.00 0.74 H new ATOM 0 HD13 ILE A 74 6.679 -2.159 -2.077 1.00 0.74 H new ATOM 1179 N ASP A 75 10.431 -6.349 -2.983 1.00 0.36 N ATOM 1180 CA ASP A 75 10.705 -7.757 -2.597 1.00 0.55 C ATOM 1181 C ASP A 75 12.202 -8.074 -2.593 1.00 0.51 C ATOM 1182 O ASP A 75 12.676 -8.919 -1.853 1.00 0.83 O ATOM 1183 CB ASP A 75 9.968 -8.608 -3.613 1.00 0.75 C ATOM 1184 CG ASP A 75 8.444 -8.487 -3.622 1.00 1.46 C ATOM 1185 OD1 ASP A 75 7.894 -7.858 -2.735 1.00 2.68 O ATOM 1186 OD2 ASP A 75 7.926 -9.067 -4.562 1.00 2.48 O ATOM 0 H ASP A 75 9.935 -6.265 -3.870 1.00 0.36 H new ATOM 0 HA ASP A 75 10.367 -7.954 -1.580 1.00 0.55 H new ATOM 0 HB2 ASP A 75 10.337 -8.351 -4.606 1.00 0.75 H new ATOM 0 HB3 ASP A 75 10.227 -9.652 -3.437 1.00 0.75 H new ATOM 1191 N LYS A 76 12.900 -7.345 -3.422 1.00 0.24 N ATOM 1192 CA LYS A 76 14.359 -7.558 -3.517 1.00 0.34 C ATOM 1193 C LYS A 76 14.882 -6.651 -2.422 1.00 0.35 C ATOM 1194 O LYS A 76 15.710 -7.092 -1.648 1.00 0.38 O ATOM 1195 CB LYS A 76 14.801 -7.166 -4.934 1.00 0.41 C ATOM 1196 CG LYS A 76 16.066 -7.983 -5.291 1.00 1.11 C ATOM 1197 CD LYS A 76 15.664 -9.503 -5.383 1.00 1.60 C ATOM 1198 CE LYS A 76 16.665 -10.320 -6.216 1.00 1.29 C ATOM 1199 NZ LYS A 76 16.426 -10.022 -7.663 1.00 1.42 N ATOM 0 H LYS A 76 12.520 -6.619 -4.030 1.00 0.24 H new ATOM 0 HA LYS A 76 14.721 -8.577 -3.378 1.00 0.34 H new ATOM 0 HB2 LYS A 76 14.004 -7.368 -5.650 1.00 0.41 H new ATOM 0 HB3 LYS A 76 15.012 -6.098 -4.984 1.00 0.41 H new ATOM 0 HG2 LYS A 76 16.483 -7.643 -6.239 1.00 1.11 H new ATOM 0 HG3 LYS A 76 16.837 -7.839 -4.534 1.00 1.11 H new ATOM 0 HD2 LYS A 76 15.603 -9.922 -4.379 1.00 1.60 H new ATOM 0 HD3 LYS A 76 14.671 -9.588 -5.825 1.00 1.60 H new ATOM 0 HE2 LYS A 76 17.688 -10.063 -5.939 1.00 1.29 H new ATOM 0 HE3 LYS A 76 16.540 -11.385 -6.022 1.00 1.29 H new ATOM 0 HZ1 LYS A 76 17.186 -10.443 -8.234 1.00 1.42 H new ATOM 0 HZ2 LYS A 76 15.512 -10.423 -7.954 1.00 1.42 H new ATOM 0 HZ3 LYS A 76 16.414 -8.992 -7.808 1.00 1.42 H new ATOM 1213 N VAL A 77 14.410 -5.422 -2.363 1.00 0.37 N ATOM 1214 CA VAL A 77 14.879 -4.485 -1.280 1.00 0.38 C ATOM 1215 C VAL A 77 14.799 -5.365 -0.030 1.00 0.42 C ATOM 1216 O VAL A 77 15.740 -5.430 0.739 1.00 0.36 O ATOM 1217 CB VAL A 77 13.931 -3.256 -1.199 1.00 0.40 C ATOM 1218 CG1 VAL A 77 14.279 -2.458 0.070 1.00 0.46 C ATOM 1219 CG2 VAL A 77 14.202 -2.339 -2.425 1.00 0.32 C ATOM 0 H VAL A 77 13.727 -5.029 -3.011 1.00 0.37 H new ATOM 0 HA VAL A 77 15.875 -4.070 -1.433 1.00 0.38 H new ATOM 0 HB VAL A 77 12.891 -3.583 -1.182 1.00 0.40 H new ATOM 0 HG11 VAL A 77 13.624 -1.590 0.145 1.00 0.46 H new ATOM 0 HG12 VAL A 77 14.144 -3.092 0.947 1.00 0.46 H new ATOM 0 HG13 VAL A 77 15.316 -2.126 0.018 1.00 0.46 H new ATOM 0 HG21 VAL A 77 13.544 -1.471 -2.383 1.00 0.32 H new ATOM 0 HG22 VAL A 77 15.240 -2.008 -2.409 1.00 0.32 H new ATOM 0 HG23 VAL A 77 14.012 -2.894 -3.344 1.00 0.32 H new ATOM 1229 N GLU A 78 13.671 -6.014 0.130 1.00 0.56 N ATOM 1230 CA GLU A 78 13.464 -6.930 1.280 1.00 0.61 C ATOM 1231 C GLU A 78 14.711 -7.807 1.526 1.00 0.26 C ATOM 1232 O GLU A 78 15.357 -7.734 2.555 1.00 0.29 O ATOM 1233 CB GLU A 78 12.208 -7.772 0.941 1.00 0.92 C ATOM 1234 CG GLU A 78 11.151 -7.571 2.041 1.00 1.45 C ATOM 1235 CD GLU A 78 11.693 -8.298 3.256 1.00 3.79 C ATOM 1236 OE1 GLU A 78 12.663 -7.850 3.846 1.00 4.80 O ATOM 1237 OE2 GLU A 78 11.152 -9.333 3.589 1.00 5.27 O ATOM 0 H GLU A 78 12.875 -5.942 -0.503 1.00 0.56 H new ATOM 0 HA GLU A 78 13.312 -6.380 2.209 1.00 0.61 H new ATOM 0 HB2 GLU A 78 11.805 -7.472 -0.026 1.00 0.92 H new ATOM 0 HB3 GLU A 78 12.473 -8.826 0.863 1.00 0.92 H new ATOM 0 HG2 GLU A 78 10.999 -6.512 2.252 1.00 1.45 H new ATOM 0 HG3 GLU A 78 10.186 -7.977 1.738 1.00 1.45 H new ATOM 1244 N GLU A 79 15.045 -8.653 0.589 1.00 0.26 N ATOM 1245 CA GLU A 79 16.257 -9.523 0.766 1.00 0.23 C ATOM 1246 C GLU A 79 17.552 -8.747 1.046 1.00 0.12 C ATOM 1247 O GLU A 79 18.396 -9.116 1.843 1.00 0.12 O ATOM 1248 CB GLU A 79 16.451 -10.371 -0.491 1.00 0.48 C ATOM 1249 CG GLU A 79 15.306 -11.402 -0.552 1.00 0.72 C ATOM 1250 CD GLU A 79 15.175 -12.163 0.762 1.00 0.90 C ATOM 1251 OE1 GLU A 79 16.192 -12.704 1.166 1.00 2.62 O ATOM 1252 OE2 GLU A 79 14.066 -12.129 1.271 1.00 2.04 O ATOM 0 H GLU A 79 14.539 -8.783 -0.287 1.00 0.26 H new ATOM 0 HA GLU A 79 16.067 -10.138 1.646 1.00 0.23 H new ATOM 0 HB2 GLU A 79 16.444 -9.741 -1.380 1.00 0.48 H new ATOM 0 HB3 GLU A 79 17.417 -10.875 -0.465 1.00 0.48 H new ATOM 0 HG2 GLU A 79 14.368 -10.894 -0.775 1.00 0.72 H new ATOM 0 HG3 GLU A 79 15.489 -12.105 -1.365 1.00 0.72 H new ATOM 1259 N LEU A 80 17.668 -7.645 0.376 1.00 0.17 N ATOM 1260 CA LEU A 80 18.880 -6.788 0.529 1.00 0.16 C ATOM 1261 C LEU A 80 19.032 -6.325 1.982 1.00 0.31 C ATOM 1262 O LEU A 80 20.120 -6.360 2.520 1.00 0.49 O ATOM 1263 CB LEU A 80 18.694 -5.660 -0.506 1.00 0.25 C ATOM 1264 CG LEU A 80 18.718 -6.338 -1.911 1.00 0.59 C ATOM 1265 CD1 LEU A 80 18.466 -5.313 -3.008 1.00 0.78 C ATOM 1266 CD2 LEU A 80 20.079 -6.973 -2.183 1.00 1.02 C ATOM 0 H LEU A 80 16.971 -7.291 -0.280 1.00 0.17 H new ATOM 0 HA LEU A 80 19.819 -7.305 0.333 1.00 0.16 H new ATOM 0 HB2 LEU A 80 17.752 -5.137 -0.344 1.00 0.25 H new ATOM 0 HB3 LEU A 80 19.489 -4.919 -0.419 1.00 0.25 H new ATOM 0 HG LEU A 80 17.937 -7.098 -1.913 1.00 0.59 H new ATOM 0 HD11 LEU A 80 18.487 -5.807 -3.979 1.00 0.78 H new ATOM 0 HD12 LEU A 80 17.490 -4.851 -2.857 1.00 0.78 H new ATOM 0 HD13 LEU A 80 19.240 -4.546 -2.974 1.00 0.78 H new ATOM 0 HD21 LEU A 80 20.072 -7.440 -3.168 1.00 1.02 H new ATOM 0 HD22 LEU A 80 20.852 -6.205 -2.150 1.00 1.02 H new ATOM 0 HD23 LEU A 80 20.286 -7.728 -1.425 1.00 1.02 H new ATOM 1278 N LYS A 81 17.962 -5.887 2.573 1.00 0.30 N ATOM 1279 CA LYS A 81 18.069 -5.444 4.002 1.00 0.49 C ATOM 1280 C LYS A 81 18.706 -6.555 4.869 1.00 0.66 C ATOM 1281 O LYS A 81 19.657 -6.327 5.591 1.00 0.83 O ATOM 1282 CB LYS A 81 16.666 -5.126 4.453 1.00 0.55 C ATOM 1283 CG LYS A 81 16.661 -4.501 5.867 1.00 1.00 C ATOM 1284 CD LYS A 81 15.211 -3.957 6.048 1.00 1.60 C ATOM 1285 CE LYS A 81 15.047 -2.955 7.179 1.00 1.91 C ATOM 1286 NZ LYS A 81 16.029 -1.862 6.942 1.00 3.96 N ATOM 0 H LYS A 81 17.037 -5.814 2.150 1.00 0.30 H new ATOM 0 HA LYS A 81 18.712 -4.570 4.103 1.00 0.49 H new ATOM 0 HB2 LYS A 81 16.201 -4.438 3.747 1.00 0.55 H new ATOM 0 HB3 LYS A 81 16.066 -6.036 4.453 1.00 0.55 H new ATOM 0 HG2 LYS A 81 16.905 -5.241 6.629 1.00 1.00 H new ATOM 0 HG3 LYS A 81 17.398 -3.702 5.951 1.00 1.00 H new ATOM 0 HD2 LYS A 81 14.894 -3.488 5.116 1.00 1.60 H new ATOM 0 HD3 LYS A 81 14.541 -4.798 6.226 1.00 1.60 H new ATOM 0 HE2 LYS A 81 14.031 -2.562 7.201 1.00 1.91 H new ATOM 0 HE3 LYS A 81 15.225 -3.430 8.144 1.00 1.91 H new ATOM 0 HZ1 LYS A 81 16.807 -1.939 7.628 1.00 3.96 H new ATOM 0 HZ2 LYS A 81 16.410 -1.940 5.977 1.00 3.96 H new ATOM 0 HZ3 LYS A 81 15.558 -0.942 7.054 1.00 3.96 H new ATOM 1300 N LYS A 82 18.116 -7.711 4.713 1.00 0.64 N ATOM 1301 CA LYS A 82 18.512 -8.958 5.425 1.00 0.73 C ATOM 1302 C LYS A 82 20.007 -9.227 5.279 1.00 0.69 C ATOM 1303 O LYS A 82 20.750 -9.397 6.219 1.00 0.84 O ATOM 1304 CB LYS A 82 17.751 -10.180 4.852 1.00 0.75 C ATOM 1305 CG LYS A 82 16.221 -10.053 4.923 1.00 0.78 C ATOM 1306 CD LYS A 82 15.701 -11.356 4.257 1.00 0.78 C ATOM 1307 CE LYS A 82 14.195 -11.393 4.066 1.00 0.70 C ATOM 1308 NZ LYS A 82 13.766 -10.275 3.183 1.00 2.63 N ATOM 0 H LYS A 82 17.327 -7.844 4.080 1.00 0.64 H new ATOM 0 HA LYS A 82 18.264 -8.816 6.477 1.00 0.73 H new ATOM 0 HB2 LYS A 82 18.046 -10.324 3.812 1.00 0.75 H new ATOM 0 HB3 LYS A 82 18.057 -11.073 5.396 1.00 0.75 H new ATOM 0 HG2 LYS A 82 15.876 -9.967 5.953 1.00 0.78 H new ATOM 0 HG3 LYS A 82 15.870 -9.167 4.394 1.00 0.78 H new ATOM 0 HD2 LYS A 82 16.183 -11.473 3.286 1.00 0.78 H new ATOM 0 HD3 LYS A 82 16.001 -12.208 4.867 1.00 0.78 H new ATOM 0 HE2 LYS A 82 13.899 -12.347 3.629 1.00 0.70 H new ATOM 0 HE3 LYS A 82 13.696 -11.316 5.032 1.00 0.70 H new ATOM 0 HZ1 LYS A 82 12.731 -10.182 3.219 1.00 2.63 H new ATOM 0 HZ2 LYS A 82 14.205 -9.389 3.506 1.00 2.63 H new ATOM 0 HZ3 LYS A 82 14.062 -10.471 2.206 1.00 2.63 H new ATOM 1322 N LYS A 83 20.345 -9.242 4.029 1.00 0.53 N ATOM 1323 CA LYS A 83 21.727 -9.486 3.523 1.00 0.46 C ATOM 1324 C LYS A 83 22.849 -8.481 3.773 1.00 0.43 C ATOM 1325 O LYS A 83 23.906 -8.833 4.253 1.00 0.55 O ATOM 1326 CB LYS A 83 21.685 -9.647 2.011 1.00 0.39 C ATOM 1327 CG LYS A 83 20.856 -10.807 1.544 1.00 0.66 C ATOM 1328 CD LYS A 83 20.629 -10.534 0.036 1.00 0.62 C ATOM 1329 CE LYS A 83 20.202 -11.801 -0.661 1.00 0.86 C ATOM 1330 NZ LYS A 83 21.205 -12.074 -1.730 1.00 0.84 N ATOM 0 H LYS A 83 19.671 -9.083 3.280 1.00 0.53 H new ATOM 0 HA LYS A 83 21.994 -10.358 4.121 1.00 0.46 H new ATOM 0 HB2 LYS A 83 21.292 -8.731 1.569 1.00 0.39 H new ATOM 0 HB3 LYS A 83 22.703 -9.768 1.640 1.00 0.39 H new ATOM 0 HG2 LYS A 83 21.372 -11.754 1.703 1.00 0.66 H new ATOM 0 HG3 LYS A 83 19.911 -10.864 2.084 1.00 0.66 H new ATOM 0 HD2 LYS A 83 19.867 -9.765 -0.092 1.00 0.62 H new ATOM 0 HD3 LYS A 83 21.545 -10.153 -0.415 1.00 0.62 H new ATOM 0 HE2 LYS A 83 20.155 -12.631 0.044 1.00 0.86 H new ATOM 0 HE3 LYS A 83 19.205 -11.688 -1.088 1.00 0.86 H new ATOM 0 HZ1 LYS A 83 20.734 -12.067 -2.657 1.00 0.84 H new ATOM 0 HZ2 LYS A 83 21.942 -11.340 -1.710 1.00 0.84 H new ATOM 0 HZ3 LYS A 83 21.639 -13.005 -1.569 1.00 0.84 H new ATOM 1344 N TYR A 84 22.579 -7.258 3.425 1.00 0.59 N ATOM 1345 CA TYR A 84 23.560 -6.171 3.566 1.00 1.06 C ATOM 1346 C TYR A 84 23.726 -5.316 4.787 1.00 1.89 C ATOM 1347 O TYR A 84 24.862 -4.918 4.989 1.00 3.34 O ATOM 1348 CB TYR A 84 23.288 -5.347 2.301 1.00 1.24 C ATOM 1349 CG TYR A 84 23.686 -6.222 1.096 1.00 1.09 C ATOM 1350 CD1 TYR A 84 25.008 -6.524 0.843 1.00 1.13 C ATOM 1351 CD2 TYR A 84 22.723 -6.734 0.258 1.00 1.02 C ATOM 1352 CE1 TYR A 84 25.354 -7.323 -0.231 1.00 1.11 C ATOM 1353 CE2 TYR A 84 23.075 -7.532 -0.813 1.00 1.11 C ATOM 1354 CZ TYR A 84 24.393 -7.831 -1.063 1.00 1.14 C ATOM 1355 OH TYR A 84 24.739 -8.617 -2.145 1.00 1.26 O ATOM 0 H TYR A 84 21.683 -6.965 3.035 1.00 0.59 H new ATOM 0 HA TYR A 84 24.526 -6.656 3.706 1.00 1.06 H new ATOM 0 HB2 TYR A 84 22.236 -5.067 2.243 1.00 1.24 H new ATOM 0 HB3 TYR A 84 23.864 -4.422 2.312 1.00 1.24 H new ATOM 0 HD1 TYR A 84 25.780 -6.133 1.490 1.00 1.13 H new ATOM 0 HD2 TYR A 84 21.682 -6.510 0.439 1.00 1.02 H new ATOM 0 HE1 TYR A 84 26.394 -7.549 -0.416 1.00 1.11 H new ATOM 0 HE2 TYR A 84 22.306 -7.925 -1.461 1.00 1.11 H new ATOM 0 HH TYR A 84 23.948 -9.097 -2.467 1.00 1.26 H new ATOM 1365 N GLY A 85 22.697 -5.028 5.548 1.00 1.17 N ATOM 1366 CA GLY A 85 22.974 -4.174 6.733 1.00 2.33 C ATOM 1367 C GLY A 85 22.725 -2.728 6.380 1.00 2.51 C ATOM 1368 O GLY A 85 23.299 -2.121 5.495 1.00 3.47 O ATOM 0 H GLY A 85 21.732 -5.329 5.410 1.00 1.17 H new ATOM 0 HA2 GLY A 85 22.337 -4.471 7.566 1.00 2.33 H new ATOM 0 HA3 GLY A 85 24.006 -4.308 7.058 1.00 2.33 H new ATOM 1372 N ILE A 86 21.835 -2.186 7.118 1.00 2.22 N ATOM 1373 CA ILE A 86 21.448 -0.748 6.931 1.00 2.21 C ATOM 1374 C ILE A 86 21.492 0.028 8.263 1.00 3.31 C ATOM 1375 O ILE A 86 21.780 1.211 8.221 1.00 5.53 O ATOM 1376 CB ILE A 86 20.059 -0.749 6.282 1.00 0.95 C ATOM 1377 CG1 ILE A 86 19.469 0.686 6.301 1.00 0.92 C ATOM 1378 CG2 ILE A 86 19.127 -1.737 6.980 1.00 1.59 C ATOM 1379 CD1 ILE A 86 18.204 0.789 5.408 1.00 0.37 C ATOM 1380 OXT ILE A 86 21.265 -0.560 9.305 1.00 2.37 O ATOM 0 H ILE A 86 21.335 -2.669 7.865 1.00 2.22 H new ATOM 0 HA ILE A 86 22.156 -0.228 6.286 1.00 2.21 H new ATOM 0 HB ILE A 86 20.157 -1.072 5.246 1.00 0.95 H new ATOM 0 HG12 ILE A 86 19.218 0.964 7.324 1.00 0.92 H new ATOM 0 HG13 ILE A 86 20.221 1.395 5.953 1.00 0.92 H new ATOM 0 HG21 ILE A 86 18.149 -1.717 6.499 1.00 1.59 H new ATOM 0 HG22 ILE A 86 19.544 -2.742 6.911 1.00 1.59 H new ATOM 0 HG23 ILE A 86 19.021 -1.459 8.029 1.00 1.59 H new ATOM 0 HD11 ILE A 86 17.816 1.807 5.443 1.00 0.37 H new ATOM 0 HD12 ILE A 86 18.463 0.535 4.380 1.00 0.37 H new ATOM 0 HD13 ILE A 86 17.444 0.098 5.772 1.00 0.37 H new