USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 755 hydrogens (62 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 66 LYS NZ :NH3+ -144:sc= -3.68! (180deg=-6.56!) USER MOD Set 1.2: A 70 MET CE :methyl 143:sc= -0.456 (180deg=-2.49!) USER MOD Set 2.1: A 29 SER OG : rot -59:sc= 0.816 USER MOD Set 2.2: A 30 HIS : no HE2:sc= -2.34! C(o=-1.5!,f=-5.4!) USER MOD Set 3.1: A 28 TYR OH : rot -1:sc= 1.2 USER MOD Set 3.2: A 32 LYS NZ :NH3+ 161:sc= 0.663 (180deg=-0.476) USER MOD Set 3.3: A 87 COA O2B : rot -78:sc= 0.525 USER MOD Set 4.1: A 1 SER N :NH3+ -161:sc= 0.964 (180deg=0.234) USER MOD Set 4.2: A 2 GLN : amide:sc= -15! C(o=-14!,f=-22!) USER MOD Single : A 1 SER OG : rot -140:sc= 0.906 USER MOD Single : A 7 LYS NZ :NH3+ -123:sc= -1.65! (180deg=-6.39!) USER MOD Single : A 13 LYS NZ :NH3+ -135:sc= -0.992! (180deg=-4.16!) USER MOD Single : A 14 HIS : no HD1:sc= -3.84! C(o=-3.8!,f=-6.3!) USER MOD Single : A 16 LYS NZ :NH3+ 136:sc= 0.757 (180deg=-2.43!) USER MOD Single : A 17 THR OG1 : rot 2:sc= 0.868 USER MOD Single : A 18 LYS NZ :NH3+ -124:sc= 1.23 (180deg=-0.596) USER MOD Single : A 24 MET CE :methyl -109:sc= -4.43! (180deg=-6.79!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -1.64! C(o=-1.6!,f=-8.3!) USER MOD Single : A 35 THR OG1 : rot -79:sc= 0.781 USER MOD Single : A 40 ASN : amide:sc= -0.0655 X(o=-0.065,f=-0.29) USER MOD Single : A 41 THR OG1 : rot 122:sc= 0.993 USER MOD Single : A 46 MET CE :methyl -175:sc= 0 (180deg=-0.041) USER MOD Single : A 50 LYS NZ :NH3+ -168:sc= -0.311 (180deg=-0.588) USER MOD Single : A 52 LYS NZ :NH3+ -128:sc= 1.18 (180deg=-0.282) USER MOD Single : A 54 LYS NZ :NH3+ -127:sc= 2.11 (180deg=-1.05) USER MOD Single : A 59 ASN : amide:sc= -2.59! C(o=-2.6!,f=-9.4!) USER MOD Single : A 62 LYS NZ :NH3+ 144:sc= 1.16 (180deg=-0.192!) 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 71 LYS NZ :NH3+ -146:sc= -2.42! (180deg=-3.75!) USER MOD Single : A 73 TYR OH : rot 50:sc= -1.3 USER MOD Single : A 76 LYS NZ :NH3+ -112:sc= 0.664 (180deg=-2.1!) USER MOD Single : A 81 LYS NZ :NH3+ 148:sc= -1.29! (180deg=-1.61!) USER MOD Single : A 82 LYS NZ :NH3+ 149:sc= -4.29! (180deg=-4.82!) USER MOD Single : A 83 LYS NZ :NH3+ -157:sc= 0.286 (180deg=-0.344) USER MOD Single : A 84 TYR OH : rot -177:sc= 1.15 USER MOD Single : A 87 COA OAP : rot -122:sc= -0.429 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 3.320 -3.264 -4.498 1.00 5.33 N ATOM 2 CA SER A 1 3.521 -2.122 -5.464 1.00 4.84 C ATOM 3 C SER A 1 2.681 -1.044 -4.875 1.00 3.82 C ATOM 4 O SER A 1 1.595 -1.401 -4.484 1.00 4.29 O ATOM 5 CB SER A 1 3.015 -2.577 -6.806 1.00 6.03 C ATOM 6 OG SER A 1 3.622 -3.868 -6.826 1.00 7.33 O ATOM 0 H1 SER A 1 4.088 -3.956 -4.614 1.00 5.33 H new ATOM 0 H2 SER A 1 3.326 -2.900 -3.524 1.00 5.33 H new ATOM 0 H3 SER A 1 2.407 -3.724 -4.690 1.00 5.33 H new ATOM 0 HA SER A 1 4.549 -1.789 -5.607 1.00 4.84 H new ATOM 0 HB2 SER A 1 1.927 -2.619 -6.857 1.00 6.03 H new ATOM 0 HB3 SER A 1 3.348 -1.939 -7.624 1.00 6.03 H new ATOM 0 HG SER A 1 3.953 -4.060 -7.728 1.00 7.33 H new ATOM 14 N GLN A 2 3.156 0.177 -4.821 1.00 2.59 N ATOM 15 CA GLN A 2 2.408 1.340 -4.214 1.00 1.56 C ATOM 16 C GLN A 2 3.560 2.129 -3.543 1.00 1.15 C ATOM 17 O GLN A 2 4.694 1.942 -3.939 1.00 1.53 O ATOM 18 CB GLN A 2 1.420 0.852 -3.103 1.00 0.56 C ATOM 19 CG GLN A 2 2.201 0.096 -1.899 1.00 1.34 C ATOM 20 CD GLN A 2 3.365 -0.867 -2.292 1.00 1.85 C ATOM 21 OE1 GLN A 2 3.255 -2.074 -2.279 1.00 2.87 O ATOM 22 NE2 GLN A 2 4.542 -0.452 -2.682 1.00 1.36 N ATOM 0 H GLN A 2 4.073 0.432 -5.188 1.00 2.59 H new ATOM 0 HA GLN A 2 1.815 1.899 -4.938 1.00 1.56 H new ATOM 0 HB2 GLN A 2 0.872 1.705 -2.703 1.00 0.56 H new ATOM 0 HB3 GLN A 2 0.684 0.177 -3.540 1.00 0.56 H new ATOM 0 HG2 GLN A 2 2.604 0.856 -1.229 1.00 1.34 H new ATOM 0 HG3 GLN A 2 1.469 -0.476 -1.329 1.00 1.34 H new ATOM 0 HE21 GLN A 2 4.741 0.547 -2.729 1.00 1.36 H new ATOM 0 HE22 GLN A 2 5.262 -1.128 -2.939 1.00 1.36 H new ATOM 31 N ALA A 3 3.277 2.957 -2.571 1.00 0.70 N ATOM 32 CA ALA A 3 4.362 3.738 -1.887 1.00 0.44 C ATOM 33 C ALA A 3 5.412 2.842 -1.158 1.00 0.43 C ATOM 34 O ALA A 3 6.506 3.270 -0.844 1.00 1.03 O ATOM 35 CB ALA A 3 3.682 4.698 -0.887 1.00 0.47 C ATOM 0 H ALA A 3 2.336 3.130 -2.216 1.00 0.70 H new ATOM 0 HA ALA A 3 4.926 4.281 -2.645 1.00 0.44 H new ATOM 0 HB1 ALA A 3 4.442 5.283 -0.370 1.00 0.47 H new ATOM 0 HB2 ALA A 3 3.011 5.368 -1.425 1.00 0.47 H new ATOM 0 HB3 ALA A 3 3.111 4.121 -0.159 1.00 0.47 H new ATOM 41 N GLU A 4 5.090 1.586 -0.921 1.00 0.20 N ATOM 42 CA GLU A 4 6.052 0.696 -0.216 1.00 0.48 C ATOM 43 C GLU A 4 7.209 0.238 -1.100 1.00 0.25 C ATOM 44 O GLU A 4 8.043 -0.575 -0.773 1.00 0.61 O ATOM 45 CB GLU A 4 5.213 -0.473 0.328 1.00 1.10 C ATOM 46 CG GLU A 4 4.019 0.038 1.237 1.00 1.22 C ATOM 47 CD GLU A 4 4.467 0.818 2.490 1.00 2.53 C ATOM 48 OE1 GLU A 4 5.662 0.950 2.723 1.00 3.43 O ATOM 49 OE2 GLU A 4 3.530 1.240 3.142 1.00 3.11 O ATOM 0 H GLU A 4 4.207 1.150 -1.187 1.00 0.20 H new ATOM 0 HA GLU A 4 6.553 1.230 0.592 1.00 0.48 H new ATOM 0 HB2 GLU A 4 4.815 -1.054 -0.504 1.00 1.10 H new ATOM 0 HB3 GLU A 4 5.851 -1.141 0.906 1.00 1.10 H new ATOM 0 HG2 GLU A 4 3.369 0.676 0.639 1.00 1.22 H new ATOM 0 HG3 GLU A 4 3.423 -0.819 1.550 1.00 1.22 H new ATOM 56 N PHE A 5 7.192 0.833 -2.235 1.00 0.38 N ATOM 57 CA PHE A 5 8.172 0.638 -3.304 1.00 0.17 C ATOM 58 C PHE A 5 9.124 1.829 -3.097 1.00 0.22 C ATOM 59 O PHE A 5 10.315 1.679 -2.986 1.00 0.23 O ATOM 60 CB PHE A 5 7.392 0.700 -4.595 1.00 0.22 C ATOM 61 CG PHE A 5 8.413 0.903 -5.688 1.00 0.14 C ATOM 62 CD1 PHE A 5 8.862 2.178 -5.888 1.00 1.23 C ATOM 63 CD2 PHE A 5 8.922 -0.134 -6.428 1.00 1.16 C ATOM 64 CE1 PHE A 5 9.821 2.438 -6.814 1.00 1.20 C ATOM 65 CE2 PHE A 5 9.892 0.114 -7.369 1.00 1.22 C ATOM 66 CZ PHE A 5 10.339 1.404 -7.557 1.00 0.22 C ATOM 0 H PHE A 5 6.469 1.508 -2.482 1.00 0.38 H new ATOM 0 HA PHE A 5 8.732 -0.297 -3.314 1.00 0.17 H new ATOM 0 HB2 PHE A 5 6.827 -0.219 -4.754 1.00 0.22 H new ATOM 0 HB3 PHE A 5 6.672 1.518 -4.577 1.00 0.22 H new ATOM 0 HD1 PHE A 5 8.450 2.987 -5.304 1.00 1.23 H new ATOM 0 HD2 PHE A 5 8.562 -1.140 -6.272 1.00 1.16 H new ATOM 0 HE1 PHE A 5 10.173 3.448 -6.965 1.00 1.20 H new ATOM 0 HE2 PHE A 5 10.301 -0.695 -7.956 1.00 1.22 H new ATOM 0 HZ PHE A 5 11.103 1.604 -8.294 1.00 0.22 H new ATOM 76 N ASP A 6 8.552 2.993 -3.062 1.00 0.25 N ATOM 77 CA ASP A 6 9.269 4.265 -2.869 1.00 0.25 C ATOM 78 C ASP A 6 10.122 4.065 -1.647 1.00 0.23 C ATOM 79 O ASP A 6 11.312 4.305 -1.630 1.00 0.24 O ATOM 80 CB ASP A 6 8.156 5.285 -2.745 1.00 0.26 C ATOM 81 CG ASP A 6 7.282 5.237 -3.994 1.00 0.19 C ATOM 82 OD1 ASP A 6 6.576 4.256 -4.159 1.00 1.14 O ATOM 83 OD2 ASP A 6 7.349 6.174 -4.753 1.00 1.09 O ATOM 0 H ASP A 6 7.545 3.113 -3.168 1.00 0.25 H new ATOM 0 HA ASP A 6 9.944 4.599 -3.657 1.00 0.25 H new ATOM 0 HB2 ASP A 6 7.555 5.078 -1.859 1.00 0.26 H new ATOM 0 HB3 ASP A 6 8.575 6.283 -2.619 1.00 0.26 H new ATOM 88 N LYS A 7 9.448 3.604 -0.640 1.00 0.25 N ATOM 89 CA LYS A 7 10.174 3.346 0.623 1.00 0.29 C ATOM 90 C LYS A 7 11.307 2.382 0.237 1.00 0.22 C ATOM 91 O LYS A 7 12.440 2.669 0.513 1.00 0.29 O ATOM 92 CB LYS A 7 9.253 2.702 1.643 1.00 0.45 C ATOM 93 CG LYS A 7 10.020 2.725 3.002 1.00 0.74 C ATOM 94 CD LYS A 7 9.621 4.034 3.765 1.00 2.01 C ATOM 95 CE LYS A 7 10.737 4.551 4.667 1.00 3.13 C ATOM 96 NZ LYS A 7 11.855 4.993 3.788 1.00 3.67 N ATOM 0 H LYS A 7 8.449 3.399 -0.634 1.00 0.25 H new ATOM 0 HA LYS A 7 10.551 4.263 1.076 1.00 0.29 H new ATOM 0 HB2 LYS A 7 8.313 3.249 1.718 1.00 0.45 H new ATOM 0 HB3 LYS A 7 9.006 1.681 1.353 1.00 0.45 H new ATOM 0 HG2 LYS A 7 9.768 1.847 3.596 1.00 0.74 H new ATOM 0 HG3 LYS A 7 11.096 2.697 2.832 1.00 0.74 H new ATOM 0 HD2 LYS A 7 9.357 4.805 3.042 1.00 2.01 H new ATOM 0 HD3 LYS A 7 8.732 3.843 4.366 1.00 2.01 H new ATOM 0 HE2 LYS A 7 10.381 5.379 5.281 1.00 3.13 H new ATOM 0 HE3 LYS A 7 11.072 3.769 5.349 1.00 3.13 H new ATOM 0 HZ1 LYS A 7 12.723 4.481 4.046 1.00 3.67 H new ATOM 0 HZ2 LYS A 7 11.616 4.793 2.796 1.00 3.67 H new ATOM 0 HZ3 LYS A 7 12.008 6.015 3.908 1.00 3.67 H new ATOM 110 N ALA A 8 11.049 1.263 -0.384 1.00 0.21 N ATOM 111 CA ALA A 8 12.192 0.359 -0.753 1.00 0.22 C ATOM 112 C ALA A 8 13.318 1.198 -1.447 1.00 0.23 C ATOM 113 O ALA A 8 14.478 1.130 -1.107 1.00 0.25 O ATOM 114 CB ALA A 8 11.639 -0.703 -1.664 1.00 0.20 C ATOM 0 H ALA A 8 10.121 0.935 -0.650 1.00 0.21 H new ATOM 0 HA ALA A 8 12.638 -0.111 0.123 1.00 0.22 H new ATOM 0 HB1 ALA A 8 12.439 -1.383 -1.957 1.00 0.20 H new ATOM 0 HB2 ALA A 8 10.861 -1.261 -1.143 1.00 0.20 H new ATOM 0 HB3 ALA A 8 11.216 -0.235 -2.553 1.00 0.20 H new ATOM 120 N ALA A 9 12.956 1.980 -2.422 1.00 0.22 N ATOM 121 CA ALA A 9 13.942 2.829 -3.137 1.00 0.23 C ATOM 122 C ALA A 9 14.698 3.703 -2.126 1.00 0.31 C ATOM 123 O ALA A 9 15.890 3.905 -2.243 1.00 0.66 O ATOM 124 CB ALA A 9 13.189 3.702 -4.099 1.00 0.23 C ATOM 0 H ALA A 9 11.997 2.067 -2.760 1.00 0.22 H new ATOM 0 HA ALA A 9 14.662 2.210 -3.671 1.00 0.23 H new ATOM 0 HB1 ALA A 9 13.891 4.338 -4.639 1.00 0.23 H new ATOM 0 HB2 ALA A 9 12.645 3.078 -4.808 1.00 0.23 H new ATOM 0 HB3 ALA A 9 12.484 4.325 -3.549 1.00 0.23 H new ATOM 130 N GLU A 10 13.979 4.163 -1.141 1.00 0.13 N ATOM 131 CA GLU A 10 14.608 5.035 -0.113 1.00 0.21 C ATOM 132 C GLU A 10 15.654 4.164 0.537 1.00 0.08 C ATOM 133 O GLU A 10 16.849 4.377 0.485 1.00 0.14 O ATOM 134 CB GLU A 10 13.541 5.468 0.933 1.00 0.41 C ATOM 135 CG GLU A 10 12.564 6.604 0.531 1.00 0.65 C ATOM 136 CD GLU A 10 11.670 6.847 1.758 1.00 1.51 C ATOM 137 OE1 GLU A 10 12.151 7.494 2.674 1.00 1.75 O ATOM 138 OE2 GLU A 10 10.550 6.367 1.782 1.00 2.51 O ATOM 0 H GLU A 10 12.986 3.973 -1.004 1.00 0.13 H new ATOM 0 HA GLU A 10 15.035 5.944 -0.536 1.00 0.21 H new ATOM 0 HB2 GLU A 10 12.948 4.591 1.192 1.00 0.41 H new ATOM 0 HB3 GLU A 10 14.064 5.778 1.838 1.00 0.41 H new ATOM 0 HG2 GLU A 10 13.108 7.509 0.259 1.00 0.65 H new ATOM 0 HG3 GLU A 10 11.968 6.318 -0.336 1.00 0.65 H new ATOM 145 N GLU A 11 15.086 3.149 1.110 1.00 0.11 N ATOM 146 CA GLU A 11 15.788 2.107 1.856 1.00 0.12 C ATOM 147 C GLU A 11 17.106 1.706 1.170 1.00 0.20 C ATOM 148 O GLU A 11 18.178 1.812 1.736 1.00 0.21 O ATOM 149 CB GLU A 11 14.692 1.126 1.934 1.00 0.14 C ATOM 150 CG GLU A 11 13.622 1.717 2.894 1.00 0.30 C ATOM 151 CD GLU A 11 13.944 1.874 4.367 1.00 1.38 C ATOM 152 OE1 GLU A 11 14.401 0.905 4.959 1.00 1.08 O ATOM 153 OE2 GLU A 11 13.679 2.999 4.776 1.00 2.66 O ATOM 0 H GLU A 11 14.077 3.002 1.079 1.00 0.11 H new ATOM 0 HA GLU A 11 16.190 2.340 2.842 1.00 0.12 H new ATOM 0 HB2 GLU A 11 14.266 0.944 0.947 1.00 0.14 H new ATOM 0 HB3 GLU A 11 15.057 0.168 2.306 1.00 0.14 H new ATOM 0 HG2 GLU A 11 13.350 2.701 2.513 1.00 0.30 H new ATOM 0 HG3 GLU A 11 12.734 1.089 2.819 1.00 0.30 H new ATOM 160 N VAL A 12 16.981 1.253 -0.046 1.00 0.29 N ATOM 161 CA VAL A 12 18.124 0.828 -0.880 1.00 0.39 C ATOM 162 C VAL A 12 19.081 2.028 -1.003 1.00 0.44 C ATOM 163 O VAL A 12 20.267 1.895 -0.764 1.00 0.58 O ATOM 164 CB VAL A 12 17.491 0.336 -2.195 1.00 0.41 C ATOM 165 CG1 VAL A 12 17.430 1.307 -3.320 1.00 0.37 C ATOM 166 CG2 VAL A 12 18.161 -0.914 -2.606 1.00 0.48 C ATOM 0 H VAL A 12 16.079 1.158 -0.513 1.00 0.29 H new ATOM 0 HA VAL A 12 18.734 0.018 -0.480 1.00 0.39 H new ATOM 0 HB VAL A 12 16.438 0.175 -1.964 1.00 0.41 H new ATOM 0 HG11 VAL A 12 16.963 0.834 -4.184 1.00 0.37 H new ATOM 0 HG12 VAL A 12 16.843 2.175 -3.020 1.00 0.37 H new ATOM 0 HG13 VAL A 12 18.439 1.624 -3.582 1.00 0.37 H new ATOM 0 HG21 VAL A 12 17.722 -1.273 -3.537 1.00 0.48 H new ATOM 0 HG22 VAL A 12 19.224 -0.725 -2.756 1.00 0.48 H new ATOM 0 HG23 VAL A 12 18.033 -1.668 -1.829 1.00 0.48 H new ATOM 176 N LYS A 13 18.578 3.186 -1.352 1.00 0.38 N ATOM 177 CA LYS A 13 19.470 4.385 -1.464 1.00 0.48 C ATOM 178 C LYS A 13 19.999 4.761 -0.064 1.00 0.65 C ATOM 179 O LYS A 13 20.832 5.637 0.070 1.00 0.88 O ATOM 180 CB LYS A 13 18.652 5.528 -2.057 1.00 0.40 C ATOM 181 CG LYS A 13 18.887 5.669 -3.573 1.00 0.48 C ATOM 182 CD LYS A 13 20.192 6.496 -3.891 1.00 1.49 C ATOM 183 CE LYS A 13 20.104 6.861 -5.368 1.00 1.69 C ATOM 184 NZ LYS A 13 21.149 7.809 -5.812 1.00 2.04 N ATOM 0 H LYS A 13 17.594 3.354 -1.563 1.00 0.38 H new ATOM 0 HA LYS A 13 20.325 4.176 -2.107 1.00 0.48 H new ATOM 0 HB2 LYS A 13 17.593 5.354 -1.867 1.00 0.40 H new ATOM 0 HB3 LYS A 13 18.916 6.461 -1.559 1.00 0.40 H new ATOM 0 HG2 LYS A 13 18.966 4.679 -4.022 1.00 0.48 H new ATOM 0 HG3 LYS A 13 18.027 6.158 -4.030 1.00 0.48 H new ATOM 0 HD2 LYS A 13 20.249 7.390 -3.270 1.00 1.49 H new ATOM 0 HD3 LYS A 13 21.087 5.908 -3.686 1.00 1.49 H new ATOM 0 HE2 LYS A 13 20.176 5.950 -5.963 1.00 1.69 H new ATOM 0 HE3 LYS A 13 19.124 7.295 -5.568 1.00 1.69 H new ATOM 0 HZ1 LYS A 13 20.718 8.549 -6.402 1.00 2.04 H new ATOM 0 HZ2 LYS A 13 21.597 8.246 -4.981 1.00 2.04 H new ATOM 0 HZ3 LYS A 13 21.868 7.300 -6.365 1.00 2.04 H new ATOM 198 N HIS A 14 19.475 4.068 0.913 1.00 0.57 N ATOM 199 CA HIS A 14 19.849 4.266 2.334 1.00 0.78 C ATOM 200 C HIS A 14 20.507 2.976 2.882 1.00 0.92 C ATOM 201 O HIS A 14 20.602 2.810 4.091 1.00 1.31 O ATOM 202 CB HIS A 14 18.568 4.607 3.120 1.00 0.95 C ATOM 203 CG HIS A 14 17.881 5.880 2.621 1.00 0.99 C ATOM 204 ND1 HIS A 14 16.605 5.993 2.484 1.00 1.03 N ATOM 205 CD2 HIS A 14 18.369 7.114 2.245 1.00 1.33 C ATOM 206 CE1 HIS A 14 16.307 7.185 2.067 1.00 1.07 C ATOM 207 NE2 HIS A 14 17.380 7.916 1.904 1.00 1.35 N ATOM 0 H HIS A 14 18.773 3.342 0.770 1.00 0.57 H new ATOM 0 HA HIS A 14 20.567 5.079 2.437 1.00 0.78 H new ATOM 0 HB2 HIS A 14 17.871 3.772 3.047 1.00 0.95 H new ATOM 0 HB3 HIS A 14 18.816 4.724 4.175 1.00 0.95 H new ATOM 0 HD2 HIS A 14 19.414 7.385 2.232 1.00 1.33 H new ATOM 0 HE1 HIS A 14 15.301 7.530 1.878 1.00 1.07 H new ATOM 0 HE2 HIS A 14 17.438 8.884 1.586 1.00 1.35 H new ATOM 215 N LEU A 15 20.945 2.065 2.030 1.00 0.72 N ATOM 216 CA LEU A 15 21.591 0.850 2.554 1.00 0.89 C ATOM 217 C LEU A 15 22.883 1.378 3.131 1.00 1.27 C ATOM 218 O LEU A 15 23.489 2.297 2.614 1.00 1.96 O ATOM 219 CB LEU A 15 21.916 -0.082 1.429 1.00 0.77 C ATOM 220 CG LEU A 15 20.703 -0.659 0.791 1.00 0.44 C ATOM 221 CD1 LEU A 15 21.082 -1.204 -0.545 1.00 0.73 C ATOM 222 CD2 LEU A 15 20.078 -1.784 1.589 1.00 0.36 C ATOM 0 H LEU A 15 20.876 2.126 1.014 1.00 0.72 H new ATOM 0 HA LEU A 15 20.969 0.308 3.266 1.00 0.89 H new ATOM 0 HB2 LEU A 15 22.497 0.452 0.677 1.00 0.77 H new ATOM 0 HB3 LEU A 15 22.544 -0.891 1.803 1.00 0.77 H new ATOM 0 HG LEU A 15 19.970 0.145 0.724 1.00 0.44 H new ATOM 0 HD11 LEU A 15 20.202 -1.631 -1.026 1.00 0.73 H new ATOM 0 HD12 LEU A 15 21.481 -0.402 -1.165 1.00 0.73 H new ATOM 0 HD13 LEU A 15 21.840 -1.978 -0.421 1.00 0.73 H new ATOM 0 HD21 LEU A 15 19.198 -2.157 1.065 1.00 0.36 H new ATOM 0 HD22 LEU A 15 20.800 -2.592 1.706 1.00 0.36 H new ATOM 0 HD23 LEU A 15 19.785 -1.414 2.571 1.00 0.36 H new ATOM 234 N LYS A 16 23.301 0.774 4.193 1.00 0.99 N ATOM 235 CA LYS A 16 24.559 1.270 4.772 1.00 1.21 C ATOM 236 C LYS A 16 25.688 0.554 4.014 1.00 1.30 C ATOM 237 O LYS A 16 26.842 0.811 4.279 1.00 1.60 O ATOM 238 CB LYS A 16 24.520 0.956 6.297 1.00 1.40 C ATOM 239 CG LYS A 16 23.341 1.733 7.013 1.00 2.32 C ATOM 240 CD LYS A 16 21.973 0.997 6.803 1.00 3.30 C ATOM 241 CE LYS A 16 20.833 1.606 7.644 1.00 4.44 C ATOM 242 NZ LYS A 16 19.970 2.510 6.807 1.00 5.04 N ATOM 0 H LYS A 16 22.849 -0.008 4.668 1.00 0.99 H new ATOM 0 HA LYS A 16 24.715 2.344 4.673 1.00 1.21 H new ATOM 0 HB2 LYS A 16 24.396 -0.116 6.447 1.00 1.40 H new ATOM 0 HB3 LYS A 16 25.471 1.233 6.752 1.00 1.40 H new ATOM 0 HG2 LYS A 16 23.552 1.819 8.079 1.00 2.32 H new ATOM 0 HG3 LYS A 16 23.277 2.747 6.618 1.00 2.32 H new ATOM 0 HD2 LYS A 16 21.702 1.037 5.748 1.00 3.30 H new ATOM 0 HD3 LYS A 16 22.088 -0.055 7.063 1.00 3.30 H new ATOM 0 HE2 LYS A 16 20.224 0.808 8.070 1.00 4.44 H new ATOM 0 HE3 LYS A 16 21.252 2.168 8.479 1.00 4.44 H new ATOM 0 HZ1 LYS A 16 18.968 2.326 7.017 1.00 5.04 H new ATOM 0 HZ2 LYS A 16 20.193 3.502 7.025 1.00 5.04 H new ATOM 0 HZ3 LYS A 16 20.151 2.328 5.799 1.00 5.04 H new ATOM 256 N THR A 17 25.347 -0.330 3.097 1.00 1.09 N ATOM 257 CA THR A 17 26.395 -1.050 2.325 1.00 1.13 C ATOM 258 C THR A 17 26.294 -1.525 0.848 1.00 0.95 C ATOM 259 O THR A 17 25.840 -2.615 0.587 1.00 0.76 O ATOM 260 CB THR A 17 26.802 -2.257 3.207 1.00 1.28 C ATOM 261 OG1 THR A 17 27.632 -1.759 4.249 1.00 1.53 O ATOM 262 CG2 THR A 17 27.722 -3.175 2.482 1.00 1.28 C ATOM 0 H THR A 17 24.387 -0.577 2.857 1.00 1.09 H new ATOM 0 HA THR A 17 27.087 -0.230 2.136 1.00 1.13 H new ATOM 0 HB THR A 17 25.886 -2.757 3.523 1.00 1.28 H new ATOM 0 HG1 THR A 17 27.713 -0.786 4.166 1.00 1.53 H new ATOM 0 HG21 THR A 17 27.987 -4.010 3.130 1.00 1.28 H new ATOM 0 HG22 THR A 17 27.228 -3.553 1.587 1.00 1.28 H new ATOM 0 HG23 THR A 17 28.625 -2.635 2.198 1.00 1.28 H new ATOM 270 N LYS A 18 26.676 -0.678 -0.074 1.00 1.05 N ATOM 271 CA LYS A 18 26.713 -0.944 -1.545 1.00 0.98 C ATOM 272 C LYS A 18 26.725 -2.462 -1.873 1.00 0.82 C ATOM 273 O LYS A 18 27.783 -3.064 -1.901 1.00 0.94 O ATOM 274 CB LYS A 18 27.995 -0.211 -2.064 1.00 1.27 C ATOM 275 CG LYS A 18 29.229 -0.430 -1.113 1.00 2.82 C ATOM 276 CD LYS A 18 30.591 0.012 -1.762 1.00 2.96 C ATOM 277 CE LYS A 18 30.686 1.481 -2.243 1.00 3.75 C ATOM 278 NZ LYS A 18 30.591 2.457 -1.107 1.00 5.57 N ATOM 0 H LYS A 18 26.989 0.265 0.159 1.00 1.05 H new ATOM 0 HA LYS A 18 25.815 -0.573 -2.039 1.00 0.98 H new ATOM 0 HB2 LYS A 18 28.239 -0.573 -3.063 1.00 1.27 H new ATOM 0 HB3 LYS A 18 27.791 0.856 -2.152 1.00 1.27 H new ATOM 0 HG2 LYS A 18 29.074 0.130 -0.191 1.00 2.82 H new ATOM 0 HG3 LYS A 18 29.288 -1.484 -0.840 1.00 2.82 H new ATOM 0 HD2 LYS A 18 31.386 -0.161 -1.037 1.00 2.96 H new ATOM 0 HD3 LYS A 18 30.790 -0.639 -2.614 1.00 2.96 H new ATOM 0 HE2 LYS A 18 31.629 1.629 -2.769 1.00 3.75 H new ATOM 0 HE3 LYS A 18 29.888 1.680 -2.958 1.00 3.75 H new ATOM 0 HZ1 LYS A 18 29.812 3.122 -1.285 1.00 5.57 H new ATOM 0 HZ2 LYS A 18 30.411 1.942 -0.221 1.00 5.57 H new ATOM 0 HZ3 LYS A 18 31.484 2.984 -1.026 1.00 5.57 H new ATOM 292 N PRO A 19 25.564 -3.030 -2.094 1.00 0.60 N ATOM 293 CA PRO A 19 25.451 -4.478 -2.413 1.00 0.51 C ATOM 294 C PRO A 19 26.172 -4.942 -3.691 1.00 0.58 C ATOM 295 O PRO A 19 26.695 -4.157 -4.460 1.00 0.70 O ATOM 296 CB PRO A 19 23.938 -4.684 -2.425 1.00 0.49 C ATOM 297 CG PRO A 19 23.432 -3.547 -1.496 1.00 0.49 C ATOM 298 CD PRO A 19 24.229 -2.380 -2.038 1.00 0.47 C ATOM 0 HA PRO A 19 25.970 -5.103 -1.687 1.00 0.51 H new ATOM 0 HB2 PRO A 19 23.526 -4.599 -3.430 1.00 0.49 H new ATOM 0 HB3 PRO A 19 23.660 -5.668 -2.049 1.00 0.49 H new ATOM 0 HG2 PRO A 19 22.357 -3.390 -1.579 1.00 0.49 H new ATOM 0 HG3 PRO A 19 23.645 -3.743 -0.445 1.00 0.49 H new ATOM 0 HD2 PRO A 19 23.880 -2.047 -3.015 1.00 0.47 H new ATOM 0 HD3 PRO A 19 24.209 -1.512 -1.379 1.00 0.47 H new ATOM 306 N ALA A 20 26.165 -6.232 -3.901 1.00 0.57 N ATOM 307 CA ALA A 20 26.856 -6.773 -5.121 1.00 0.69 C ATOM 308 C ALA A 20 26.293 -6.221 -6.461 1.00 0.68 C ATOM 309 O ALA A 20 25.089 -6.113 -6.626 1.00 0.72 O ATOM 310 CB ALA A 20 26.728 -8.306 -5.069 1.00 0.77 C ATOM 0 H ALA A 20 25.723 -6.926 -3.298 1.00 0.57 H new ATOM 0 HA ALA A 20 27.897 -6.450 -5.102 1.00 0.69 H new ATOM 0 HB1 ALA A 20 27.218 -8.742 -5.940 1.00 0.77 H new ATOM 0 HB2 ALA A 20 27.201 -8.680 -4.161 1.00 0.77 H new ATOM 0 HB3 ALA A 20 25.674 -8.583 -5.069 1.00 0.77 H new ATOM 316 N ASP A 21 27.147 -5.876 -7.394 1.00 0.64 N ATOM 317 CA ASP A 21 26.614 -5.355 -8.686 1.00 0.58 C ATOM 318 C ASP A 21 25.471 -6.273 -9.195 1.00 0.54 C ATOM 319 O ASP A 21 24.464 -5.775 -9.642 1.00 0.41 O ATOM 320 CB ASP A 21 27.799 -5.272 -9.646 1.00 0.54 C ATOM 321 CG ASP A 21 28.661 -4.091 -9.286 1.00 0.82 C ATOM 322 OD1 ASP A 21 28.205 -2.984 -9.507 1.00 1.54 O ATOM 323 OD2 ASP A 21 29.760 -4.276 -8.815 1.00 1.02 O ATOM 0 H ASP A 21 28.163 -5.931 -7.320 1.00 0.64 H new ATOM 0 HA ASP A 21 26.171 -4.364 -8.585 1.00 0.58 H new ATOM 0 HB2 ASP A 21 28.384 -6.190 -9.597 1.00 0.54 H new ATOM 0 HB3 ASP A 21 27.443 -5.175 -10.672 1.00 0.54 H new ATOM 328 N GLU A 22 25.619 -7.570 -9.126 1.00 0.67 N ATOM 329 CA GLU A 22 24.541 -8.500 -9.588 1.00 0.68 C ATOM 330 C GLU A 22 23.199 -8.269 -8.841 1.00 0.63 C ATOM 331 O GLU A 22 22.136 -8.485 -9.397 1.00 0.70 O ATOM 332 CB GLU A 22 25.056 -9.963 -9.395 1.00 0.84 C ATOM 333 CG GLU A 22 26.203 -10.268 -10.416 1.00 0.78 C ATOM 334 CD GLU A 22 26.714 -11.721 -10.322 1.00 0.84 C ATOM 335 OE1 GLU A 22 27.269 -12.069 -9.293 1.00 1.65 O ATOM 336 OE2 GLU A 22 26.519 -12.414 -11.306 1.00 1.38 O ATOM 0 H GLU A 22 26.453 -8.033 -8.764 1.00 0.67 H new ATOM 0 HA GLU A 22 24.327 -8.309 -10.640 1.00 0.68 H new ATOM 0 HB2 GLU A 22 25.420 -10.097 -8.376 1.00 0.84 H new ATOM 0 HB3 GLU A 22 24.236 -10.667 -9.536 1.00 0.84 H new ATOM 0 HG2 GLU A 22 25.843 -10.079 -11.427 1.00 0.78 H new ATOM 0 HG3 GLU A 22 27.033 -9.583 -10.239 1.00 0.78 H new ATOM 343 N GLU A 23 23.248 -7.821 -7.611 1.00 0.65 N ATOM 344 CA GLU A 23 21.970 -7.577 -6.848 1.00 0.55 C ATOM 345 C GLU A 23 21.512 -6.169 -7.241 1.00 0.47 C ATOM 346 O GLU A 23 20.315 -5.936 -7.338 1.00 0.41 O ATOM 347 CB GLU A 23 22.211 -7.644 -5.306 1.00 0.52 C ATOM 348 CG GLU A 23 22.716 -9.058 -4.920 1.00 0.69 C ATOM 349 CD GLU A 23 23.076 -9.181 -3.418 1.00 1.21 C ATOM 350 OE1 GLU A 23 23.672 -8.267 -2.877 1.00 2.17 O ATOM 351 OE2 GLU A 23 22.736 -10.213 -2.859 1.00 1.02 O ATOM 0 H GLU A 23 24.106 -7.613 -7.100 1.00 0.65 H new ATOM 0 HA GLU A 23 21.224 -8.335 -7.086 1.00 0.55 H new ATOM 0 HB2 GLU A 23 22.942 -6.892 -5.009 1.00 0.52 H new ATOM 0 HB3 GLU A 23 21.287 -7.419 -4.773 1.00 0.52 H new ATOM 0 HG2 GLU A 23 21.948 -9.792 -5.166 1.00 0.69 H new ATOM 0 HG3 GLU A 23 23.593 -9.301 -5.520 1.00 0.69 H new ATOM 358 N MET A 24 22.480 -5.294 -7.468 1.00 0.47 N ATOM 359 CA MET A 24 22.187 -3.901 -7.863 1.00 0.39 C ATOM 360 C MET A 24 21.405 -4.137 -9.180 1.00 0.28 C ATOM 361 O MET A 24 20.339 -3.598 -9.346 1.00 0.21 O ATOM 362 CB MET A 24 23.596 -3.235 -7.955 1.00 0.44 C ATOM 363 CG MET A 24 24.210 -2.999 -6.557 1.00 0.51 C ATOM 364 SD MET A 24 25.627 -1.872 -6.569 1.00 0.91 S ATOM 365 CE MET A 24 24.669 -0.362 -6.850 1.00 0.52 C ATOM 0 H MET A 24 23.474 -5.510 -7.389 1.00 0.47 H new ATOM 0 HA MET A 24 21.597 -3.240 -7.229 1.00 0.39 H new ATOM 0 HB2 MET A 24 24.260 -3.869 -8.542 1.00 0.44 H new ATOM 0 HB3 MET A 24 23.515 -2.284 -8.482 1.00 0.44 H new ATOM 0 HG2 MET A 24 23.443 -2.597 -5.895 1.00 0.51 H new ATOM 0 HG3 MET A 24 24.521 -3.957 -6.140 1.00 0.51 H new ATOM 0 HE1 MET A 24 24.848 -0.001 -7.863 1.00 0.52 H new ATOM 0 HE2 MET A 24 23.608 -0.575 -6.723 1.00 0.52 H new ATOM 0 HE3 MET A 24 24.974 0.401 -6.134 1.00 0.52 H new ATOM 375 N LEU A 25 21.975 -4.916 -10.062 1.00 0.28 N ATOM 376 CA LEU A 25 21.407 -5.312 -11.385 1.00 0.27 C ATOM 377 C LEU A 25 19.869 -5.436 -11.316 1.00 0.25 C ATOM 378 O LEU A 25 19.107 -4.688 -11.916 1.00 0.27 O ATOM 379 CB LEU A 25 22.154 -6.622 -11.703 1.00 0.33 C ATOM 380 CG LEU A 25 23.183 -6.366 -12.764 1.00 0.33 C ATOM 381 CD1 LEU A 25 24.364 -7.282 -12.749 1.00 0.32 C ATOM 382 CD2 LEU A 25 22.505 -6.434 -14.130 1.00 0.63 C ATOM 0 H LEU A 25 22.894 -5.327 -9.897 1.00 0.28 H new ATOM 0 HA LEU A 25 21.551 -4.581 -12.181 1.00 0.27 H new ATOM 0 HB2 LEU A 25 22.632 -7.008 -10.803 1.00 0.33 H new ATOM 0 HB3 LEU A 25 21.449 -7.382 -12.040 1.00 0.33 H new ATOM 0 HG LEU A 25 23.589 -5.377 -12.552 1.00 0.33 H new ATOM 0 HD11 LEU A 25 25.045 -7.011 -13.555 1.00 0.32 H new ATOM 0 HD12 LEU A 25 24.880 -7.195 -11.793 1.00 0.32 H new ATOM 0 HD13 LEU A 25 24.029 -8.310 -12.888 1.00 0.32 H new ATOM 0 HD21 LEU A 25 23.242 -6.250 -14.912 1.00 0.63 H new ATOM 0 HD22 LEU A 25 22.067 -7.422 -14.270 1.00 0.63 H new ATOM 0 HD23 LEU A 25 21.721 -5.679 -14.185 1.00 0.63 H new ATOM 394 N PHE A 26 19.479 -6.418 -10.546 1.00 0.22 N ATOM 395 CA PHE A 26 18.022 -6.676 -10.357 1.00 0.21 C ATOM 396 C PHE A 26 17.313 -5.416 -9.843 1.00 0.21 C ATOM 397 O PHE A 26 16.302 -4.969 -10.359 1.00 0.16 O ATOM 398 CB PHE A 26 17.807 -7.778 -9.328 1.00 0.19 C ATOM 399 CG PHE A 26 16.286 -7.975 -9.266 1.00 0.22 C ATOM 400 CD1 PHE A 26 15.460 -7.099 -8.558 1.00 1.36 C ATOM 401 CD2 PHE A 26 15.728 -9.028 -9.962 1.00 1.33 C ATOM 402 CE1 PHE A 26 14.100 -7.304 -8.569 1.00 1.38 C ATOM 403 CE2 PHE A 26 14.373 -9.220 -9.965 1.00 1.34 C ATOM 404 CZ PHE A 26 13.573 -8.355 -9.269 1.00 0.40 C ATOM 0 H PHE A 26 20.103 -7.049 -10.043 1.00 0.22 H new ATOM 0 HA PHE A 26 17.614 -6.972 -11.323 1.00 0.21 H new ATOM 0 HB2 PHE A 26 18.312 -8.698 -9.624 1.00 0.19 H new ATOM 0 HB3 PHE A 26 18.208 -7.493 -8.355 1.00 0.19 H new ATOM 0 HD1 PHE A 26 15.884 -6.271 -8.009 1.00 1.36 H new ATOM 0 HD2 PHE A 26 16.366 -9.706 -10.509 1.00 1.33 H new ATOM 0 HE1 PHE A 26 13.448 -6.636 -8.025 1.00 1.38 H new ATOM 0 HE2 PHE A 26 13.940 -10.045 -10.511 1.00 1.34 H new ATOM 0 HZ PHE A 26 12.503 -8.505 -9.272 1.00 0.40 H new ATOM 414 N ILE A 27 17.876 -4.882 -8.796 1.00 0.32 N ATOM 415 CA ILE A 27 17.291 -3.666 -8.190 1.00 0.32 C ATOM 416 C ILE A 27 17.060 -2.590 -9.271 1.00 0.23 C ATOM 417 O ILE A 27 15.923 -2.190 -9.455 1.00 0.17 O ATOM 418 CB ILE A 27 18.275 -3.312 -7.077 1.00 0.39 C ATOM 419 CG1 ILE A 27 18.234 -4.504 -6.014 1.00 0.46 C ATOM 420 CG2 ILE A 27 17.781 -2.025 -6.471 1.00 0.37 C ATOM 421 CD1 ILE A 27 17.159 -4.290 -4.972 1.00 0.41 C ATOM 0 H ILE A 27 18.715 -5.238 -8.338 1.00 0.32 H new ATOM 0 HA ILE A 27 16.295 -3.786 -7.763 1.00 0.32 H new ATOM 0 HB ILE A 27 19.300 -3.185 -7.425 1.00 0.39 H new ATOM 0 HG12 ILE A 27 18.056 -5.447 -6.532 1.00 0.46 H new ATOM 0 HG13 ILE A 27 19.204 -4.588 -5.524 1.00 0.46 H new ATOM 0 HG21 ILE A 27 18.450 -1.722 -5.665 1.00 0.37 H new ATOM 0 HG22 ILE A 27 17.759 -1.248 -7.235 1.00 0.37 H new ATOM 0 HG23 ILE A 27 16.777 -2.172 -6.073 1.00 0.37 H new ATOM 0 HD11 ILE A 27 17.164 -5.122 -4.268 1.00 0.41 H new ATOM 0 HD12 ILE A 27 17.351 -3.360 -4.436 1.00 0.41 H new ATOM 0 HD13 ILE A 27 16.186 -4.233 -5.460 1.00 0.41 H new ATOM 433 N TYR A 28 18.098 -2.140 -9.947 1.00 0.25 N ATOM 434 CA TYR A 28 17.850 -1.099 -11.020 1.00 0.20 C ATOM 435 C TYR A 28 16.715 -1.476 -11.974 1.00 0.12 C ATOM 436 O TYR A 28 15.823 -0.673 -12.127 1.00 0.14 O ATOM 437 CB TYR A 28 19.080 -0.923 -11.821 1.00 0.28 C ATOM 438 CG TYR A 28 19.082 0.119 -12.924 1.00 0.29 C ATOM 439 CD1 TYR A 28 19.487 1.391 -12.630 1.00 0.43 C ATOM 440 CD2 TYR A 28 18.737 -0.179 -14.216 1.00 0.66 C ATOM 441 CE1 TYR A 28 19.553 2.338 -13.609 1.00 0.46 C ATOM 442 CE2 TYR A 28 18.804 0.788 -15.209 1.00 0.68 C ATOM 443 CZ TYR A 28 19.217 2.070 -14.905 1.00 0.35 C ATOM 444 OH TYR A 28 19.292 3.084 -15.840 1.00 0.39 O ATOM 0 H TYR A 28 19.067 -2.429 -9.816 1.00 0.25 H new ATOM 0 HA TYR A 28 17.564 -0.182 -10.505 1.00 0.20 H new ATOM 0 HB2 TYR A 28 19.891 -0.681 -11.134 1.00 0.28 H new ATOM 0 HB3 TYR A 28 19.322 -1.885 -12.273 1.00 0.28 H new ATOM 0 HD1 TYR A 28 19.756 1.648 -11.616 1.00 0.43 H new ATOM 0 HD2 TYR A 28 18.409 -1.178 -14.464 1.00 0.66 H new ATOM 0 HE1 TYR A 28 19.882 3.334 -13.351 1.00 0.46 H new ATOM 0 HE2 TYR A 28 18.532 0.537 -16.224 1.00 0.68 H new ATOM 0 HH TYR A 28 19.581 3.912 -15.402 1.00 0.39 H new ATOM 454 N SER A 29 16.765 -2.644 -12.570 1.00 0.11 N ATOM 455 CA SER A 29 15.656 -3.036 -13.518 1.00 0.19 C ATOM 456 C SER A 29 14.264 -2.886 -12.923 1.00 0.23 C ATOM 457 O SER A 29 13.475 -2.099 -13.413 1.00 0.26 O ATOM 458 CB SER A 29 15.825 -4.488 -13.960 1.00 0.26 C ATOM 459 OG SER A 29 15.652 -5.263 -12.779 1.00 0.61 O ATOM 0 H SER A 29 17.506 -3.334 -12.450 1.00 0.11 H new ATOM 0 HA SER A 29 15.737 -2.350 -14.361 1.00 0.19 H new ATOM 0 HB2 SER A 29 15.089 -4.757 -14.718 1.00 0.26 H new ATOM 0 HB3 SER A 29 16.809 -4.654 -14.398 1.00 0.26 H new ATOM 0 HG SER A 29 16.315 -4.992 -12.110 1.00 0.61 H new ATOM 465 N HIS A 30 13.973 -3.613 -11.886 1.00 0.24 N ATOM 466 CA HIS A 30 12.635 -3.500 -11.274 1.00 0.24 C ATOM 467 C HIS A 30 12.398 -2.055 -10.825 1.00 0.23 C ATOM 468 O HIS A 30 11.369 -1.505 -11.170 1.00 0.23 O ATOM 469 CB HIS A 30 12.681 -4.573 -10.209 1.00 0.26 C ATOM 470 CG HIS A 30 12.140 -5.789 -10.937 1.00 0.48 C ATOM 471 ND1 HIS A 30 10.885 -6.042 -10.994 1.00 1.47 N ATOM 472 CD2 HIS A 30 12.728 -6.802 -11.662 1.00 0.36 C ATOM 473 CE1 HIS A 30 10.680 -7.113 -11.689 1.00 1.54 C ATOM 474 NE2 HIS A 30 11.804 -7.621 -12.127 1.00 0.65 N ATOM 0 H HIS A 30 14.605 -4.278 -11.440 1.00 0.24 H new ATOM 0 HA HIS A 30 11.772 -3.674 -11.917 1.00 0.24 H new ATOM 0 HB2 HIS A 30 13.695 -4.738 -9.844 1.00 0.26 H new ATOM 0 HB3 HIS A 30 12.069 -4.313 -9.345 1.00 0.26 H new ATOM 0 HD1 HIS A 30 10.155 -5.481 -10.555 1.00 1.47 H new ATOM 0 HD2 HIS A 30 13.790 -6.910 -11.826 1.00 0.36 H new ATOM 0 HE1 HIS A 30 9.705 -7.535 -11.883 1.00 1.54 H new ATOM 482 N TYR A 31 13.302 -1.453 -10.096 1.00 0.22 N ATOM 483 CA TYR A 31 13.115 -0.043 -9.657 1.00 0.20 C ATOM 484 C TYR A 31 12.701 0.813 -10.901 1.00 0.26 C ATOM 485 O TYR A 31 11.648 1.416 -10.980 1.00 0.34 O ATOM 486 CB TYR A 31 14.452 0.436 -9.108 1.00 0.14 C ATOM 487 CG TYR A 31 14.322 1.883 -8.694 1.00 0.14 C ATOM 488 CD1 TYR A 31 13.497 2.315 -7.679 1.00 1.36 C ATOM 489 CD2 TYR A 31 15.042 2.778 -9.422 1.00 1.26 C ATOM 490 CE1 TYR A 31 13.397 3.664 -7.411 1.00 1.38 C ATOM 491 CE2 TYR A 31 14.939 4.120 -9.157 1.00 1.24 C ATOM 492 CZ TYR A 31 14.113 4.565 -8.149 1.00 0.18 C ATOM 493 OH TYR A 31 13.997 5.908 -7.876 1.00 0.25 O ATOM 0 H TYR A 31 14.171 -1.886 -9.784 1.00 0.22 H new ATOM 0 HA TYR A 31 12.341 0.047 -8.894 1.00 0.20 H new ATOM 0 HB2 TYR A 31 14.750 -0.174 -8.255 1.00 0.14 H new ATOM 0 HB3 TYR A 31 15.230 0.329 -9.864 1.00 0.14 H new ATOM 0 HD1 TYR A 31 12.932 1.602 -7.097 1.00 1.36 H new ATOM 0 HD2 TYR A 31 15.695 2.432 -10.209 1.00 1.26 H new ATOM 0 HE1 TYR A 31 12.752 4.009 -6.617 1.00 1.38 H new ATOM 0 HE2 TYR A 31 15.507 4.829 -9.740 1.00 1.24 H new ATOM 0 HH TYR A 31 14.570 6.417 -8.487 1.00 0.25 H new ATOM 503 N LYS A 32 13.600 0.824 -11.849 1.00 0.23 N ATOM 504 CA LYS A 32 13.430 1.574 -13.128 1.00 0.29 C ATOM 505 C LYS A 32 12.070 1.325 -13.804 1.00 0.26 C ATOM 506 O LYS A 32 11.380 2.257 -14.152 1.00 0.23 O ATOM 507 CB LYS A 32 14.561 1.162 -14.036 1.00 0.41 C ATOM 508 CG LYS A 32 15.814 1.851 -13.564 1.00 0.49 C ATOM 509 CD LYS A 32 15.775 3.351 -13.977 1.00 1.08 C ATOM 510 CE LYS A 32 16.824 4.008 -13.178 1.00 0.86 C ATOM 511 NZ LYS A 32 17.299 5.259 -13.863 1.00 0.36 N ATOM 0 H LYS A 32 14.485 0.320 -11.784 1.00 0.23 H new ATOM 0 HA LYS A 32 13.452 2.643 -12.918 1.00 0.29 H new ATOM 0 HB2 LYS A 32 14.691 0.080 -14.016 1.00 0.41 H new ATOM 0 HB3 LYS A 32 14.341 1.437 -15.067 1.00 0.41 H new ATOM 0 HG2 LYS A 32 15.902 1.764 -12.481 1.00 0.49 H new ATOM 0 HG3 LYS A 32 16.691 1.368 -13.995 1.00 0.49 H new ATOM 0 HD2 LYS A 32 15.963 3.469 -15.044 1.00 1.08 H new ATOM 0 HD3 LYS A 32 14.797 3.788 -13.775 1.00 1.08 H new ATOM 0 HE2 LYS A 32 16.437 4.252 -12.189 1.00 0.86 H new ATOM 0 HE3 LYS A 32 17.661 3.325 -13.033 1.00 0.86 H new ATOM 0 HZ1 LYS A 32 17.781 5.871 -13.174 1.00 0.36 H new ATOM 0 HZ2 LYS A 32 17.961 5.008 -14.625 1.00 0.36 H new ATOM 0 HZ3 LYS A 32 16.484 5.765 -14.265 1.00 0.36 H new ATOM 525 N GLN A 33 11.692 0.092 -14.011 1.00 0.29 N ATOM 526 CA GLN A 33 10.355 -0.107 -14.661 1.00 0.28 C ATOM 527 C GLN A 33 9.257 0.322 -13.703 1.00 0.36 C ATOM 528 O GLN A 33 8.258 0.865 -14.129 1.00 0.53 O ATOM 529 CB GLN A 33 10.187 -1.555 -15.048 1.00 0.23 C ATOM 530 CG GLN A 33 9.872 -1.656 -16.573 1.00 0.61 C ATOM 531 CD GLN A 33 8.506 -1.118 -17.072 1.00 1.03 C ATOM 532 OE1 GLN A 33 8.279 -1.183 -18.251 1.00 1.87 O ATOM 533 NE2 GLN A 33 7.550 -0.610 -16.360 1.00 1.17 N ATOM 0 H GLN A 33 12.216 -0.750 -13.774 1.00 0.29 H new ATOM 0 HA GLN A 33 10.291 0.502 -15.563 1.00 0.28 H new ATOM 0 HB2 GLN A 33 11.095 -2.112 -14.816 1.00 0.23 H new ATOM 0 HB3 GLN A 33 9.381 -2.005 -14.469 1.00 0.23 H new ATOM 0 HG2 GLN A 33 10.657 -1.125 -17.112 1.00 0.61 H new ATOM 0 HG3 GLN A 33 9.942 -2.705 -16.860 1.00 0.61 H new ATOM 0 HE21 GLN A 33 7.660 -0.518 -15.350 1.00 1.17 H new ATOM 0 HE22 GLN A 33 6.688 -0.302 -16.809 1.00 1.17 H new ATOM 542 N ALA A 34 9.439 0.077 -12.433 1.00 0.28 N ATOM 543 CA ALA A 34 8.412 0.473 -11.436 1.00 0.37 C ATOM 544 C ALA A 34 8.157 1.979 -11.345 1.00 0.45 C ATOM 545 O ALA A 34 7.056 2.433 -11.095 1.00 0.73 O ATOM 546 CB ALA A 34 8.884 -0.093 -10.132 1.00 0.42 C ATOM 0 H ALA A 34 10.262 -0.384 -12.044 1.00 0.28 H new ATOM 0 HA ALA A 34 7.440 0.080 -11.735 1.00 0.37 H new ATOM 0 HB1 ALA A 34 8.172 0.161 -9.346 1.00 0.42 H new ATOM 0 HB2 ALA A 34 8.963 -1.177 -10.213 1.00 0.42 H new ATOM 0 HB3 ALA A 34 9.860 0.325 -9.886 1.00 0.42 H new ATOM 552 N THR A 35 9.217 2.695 -11.549 1.00 0.31 N ATOM 553 CA THR A 35 9.217 4.213 -11.512 1.00 0.32 C ATOM 554 C THR A 35 9.262 4.927 -12.865 1.00 0.21 C ATOM 555 O THR A 35 8.532 5.875 -13.067 1.00 0.24 O ATOM 556 CB THR A 35 10.420 4.726 -10.718 1.00 0.37 C ATOM 557 OG1 THR A 35 11.522 4.119 -11.370 1.00 0.36 O ATOM 558 CG2 THR A 35 10.477 4.083 -9.381 1.00 0.42 C ATOM 0 H THR A 35 10.132 2.291 -11.750 1.00 0.31 H new ATOM 0 HA THR A 35 8.256 4.446 -11.053 1.00 0.32 H new ATOM 0 HB THR A 35 10.393 5.813 -10.647 1.00 0.37 H new ATOM 0 HG1 THR A 35 11.600 3.186 -11.080 1.00 0.36 H new ATOM 0 HG21 THR A 35 11.339 4.461 -8.832 1.00 0.42 H new ATOM 0 HG22 THR A 35 9.566 4.312 -8.828 1.00 0.42 H new ATOM 0 HG23 THR A 35 10.568 3.003 -9.500 1.00 0.42 H new ATOM 566 N VAL A 36 10.100 4.475 -13.754 1.00 0.24 N ATOM 567 CA VAL A 36 10.245 5.092 -15.122 1.00 0.16 C ATOM 568 C VAL A 36 9.269 4.529 -16.160 1.00 0.03 C ATOM 569 O VAL A 36 8.503 5.237 -16.786 1.00 0.35 O ATOM 570 CB VAL A 36 11.717 4.858 -15.673 1.00 0.22 C ATOM 571 CG1 VAL A 36 11.916 5.696 -16.938 1.00 0.29 C ATOM 572 CG2 VAL A 36 12.767 5.207 -14.667 1.00 0.35 C ATOM 0 H VAL A 36 10.715 3.677 -13.592 1.00 0.24 H new ATOM 0 HA VAL A 36 10.024 6.151 -14.988 1.00 0.16 H new ATOM 0 HB VAL A 36 11.825 3.796 -15.894 1.00 0.22 H new ATOM 0 HG11 VAL A 36 12.924 5.541 -17.322 1.00 0.29 H new ATOM 0 HG12 VAL A 36 11.190 5.394 -17.692 1.00 0.29 H new ATOM 0 HG13 VAL A 36 11.776 6.751 -16.701 1.00 0.29 H new ATOM 0 HG21 VAL A 36 13.754 5.029 -15.094 1.00 0.35 H new ATOM 0 HG22 VAL A 36 12.674 6.258 -14.394 1.00 0.35 H new ATOM 0 HG23 VAL A 36 12.639 4.589 -13.778 1.00 0.35 H new ATOM 582 N GLY A 37 9.387 3.241 -16.271 1.00 0.22 N ATOM 583 CA GLY A 37 8.588 2.387 -17.208 1.00 0.22 C ATOM 584 C GLY A 37 9.576 1.958 -18.293 1.00 0.20 C ATOM 585 O GLY A 37 10.401 1.089 -18.074 1.00 0.20 O ATOM 0 H GLY A 37 10.051 2.704 -15.713 1.00 0.22 H new ATOM 0 HA2 GLY A 37 8.168 1.523 -16.693 1.00 0.22 H new ATOM 0 HA3 GLY A 37 7.752 2.943 -17.633 1.00 0.22 H new ATOM 589 N ASP A 38 9.476 2.617 -19.411 1.00 0.23 N ATOM 590 CA ASP A 38 10.370 2.319 -20.562 1.00 0.23 C ATOM 591 C ASP A 38 11.767 2.926 -20.467 1.00 0.17 C ATOM 592 O ASP A 38 12.000 4.021 -19.987 1.00 0.18 O ATOM 593 CB ASP A 38 9.745 2.847 -21.875 1.00 0.26 C ATOM 594 CG ASP A 38 8.749 1.861 -22.433 1.00 0.25 C ATOM 595 OD1 ASP A 38 7.688 1.756 -21.851 1.00 0.84 O ATOM 596 OD2 ASP A 38 9.172 1.289 -23.426 1.00 1.35 O ATOM 0 H ASP A 38 8.801 3.363 -19.579 1.00 0.23 H new ATOM 0 HA ASP A 38 10.473 1.234 -20.547 1.00 0.23 H new ATOM 0 HB2 ASP A 38 9.253 3.802 -21.690 1.00 0.26 H new ATOM 0 HB3 ASP A 38 10.531 3.031 -22.608 1.00 0.26 H new ATOM 601 N ILE A 39 12.671 2.149 -20.969 1.00 0.26 N ATOM 602 CA ILE A 39 14.083 2.584 -20.979 1.00 0.31 C ATOM 603 C ILE A 39 14.173 3.345 -22.314 1.00 0.49 C ATOM 604 O ILE A 39 13.686 2.938 -23.358 1.00 0.78 O ATOM 605 CB ILE A 39 14.904 1.303 -20.871 1.00 0.40 C ATOM 606 CG1 ILE A 39 16.399 1.615 -20.752 1.00 0.45 C ATOM 607 CG2 ILE A 39 14.659 0.429 -22.067 1.00 0.43 C ATOM 608 CD1 ILE A 39 17.100 0.331 -20.275 1.00 0.53 C ATOM 0 H ILE A 39 12.494 1.230 -21.374 1.00 0.26 H new ATOM 0 HA ILE A 39 14.446 3.231 -20.180 1.00 0.31 H new ATOM 0 HB ILE A 39 14.591 0.776 -19.970 1.00 0.40 H new ATOM 0 HG12 ILE A 39 16.801 1.938 -21.712 1.00 0.45 H new ATOM 0 HG13 ILE A 39 16.566 2.429 -20.046 1.00 0.45 H new ATOM 0 HG21 ILE A 39 15.250 -0.482 -21.979 1.00 0.43 H new ATOM 0 HG22 ILE A 39 13.601 0.172 -22.119 1.00 0.43 H new ATOM 0 HG23 ILE A 39 14.947 0.962 -22.973 1.00 0.43 H new ATOM 0 HD11 ILE A 39 18.170 0.515 -20.178 1.00 0.53 H new ATOM 0 HD12 ILE A 39 16.694 0.033 -19.308 1.00 0.53 H new ATOM 0 HD13 ILE A 39 16.933 -0.466 -21.000 1.00 0.53 H new ATOM 620 N ASN A 40 14.794 4.470 -22.155 1.00 0.48 N ATOM 621 CA ASN A 40 15.057 5.483 -23.233 1.00 0.60 C ATOM 622 C ASN A 40 16.546 5.913 -23.229 1.00 0.94 C ATOM 623 O ASN A 40 16.944 6.947 -23.725 1.00 1.28 O ATOM 624 CB ASN A 40 14.064 6.606 -22.880 1.00 0.40 C ATOM 625 CG ASN A 40 14.236 6.870 -21.370 1.00 0.68 C ATOM 626 OD1 ASN A 40 15.125 7.558 -20.934 1.00 0.87 O ATOM 627 ND2 ASN A 40 13.442 6.338 -20.494 1.00 0.95 N ATOM 0 H ASN A 40 15.163 4.759 -21.249 1.00 0.48 H new ATOM 0 HA ASN A 40 14.906 5.126 -24.252 1.00 0.60 H new ATOM 0 HB2 ASN A 40 14.271 7.506 -23.459 1.00 0.40 H new ATOM 0 HB3 ASN A 40 13.041 6.308 -23.110 1.00 0.40 H new ATOM 0 HD21 ASN A 40 13.589 6.512 -19.500 1.00 0.95 H new ATOM 0 HD22 ASN A 40 12.670 5.745 -20.799 1.00 0.95 H new ATOM 634 N THR A 41 17.302 5.034 -22.649 1.00 0.88 N ATOM 635 CA THR A 41 18.778 5.145 -22.463 1.00 1.21 C ATOM 636 C THR A 41 19.583 4.150 -23.337 1.00 1.44 C ATOM 637 O THR A 41 19.027 3.373 -24.090 1.00 1.43 O ATOM 638 CB THR A 41 19.026 4.883 -20.987 1.00 1.14 C ATOM 639 OG1 THR A 41 18.483 3.579 -20.947 1.00 1.07 O ATOM 640 CG2 THR A 41 18.006 5.540 -20.020 1.00 0.87 C ATOM 0 H THR A 41 16.924 4.169 -22.263 1.00 0.88 H new ATOM 0 HA THR A 41 19.119 6.132 -22.777 1.00 1.21 H new ATOM 0 HB THR A 41 20.045 5.159 -20.717 1.00 1.14 H new ATOM 0 HG1 THR A 41 19.164 2.951 -20.628 1.00 1.07 H new ATOM 0 HG21 THR A 41 18.269 5.294 -18.991 1.00 0.87 H new ATOM 0 HG22 THR A 41 18.026 6.622 -20.151 1.00 0.87 H new ATOM 0 HG23 THR A 41 17.005 5.166 -20.238 1.00 0.87 H new ATOM 648 N GLU A 42 20.887 4.192 -23.181 1.00 1.63 N ATOM 649 CA GLU A 42 21.851 3.309 -23.940 1.00 1.80 C ATOM 650 C GLU A 42 22.572 2.185 -23.115 1.00 1.77 C ATOM 651 O GLU A 42 22.529 2.153 -21.901 1.00 1.55 O ATOM 652 CB GLU A 42 22.862 4.269 -24.532 1.00 1.97 C ATOM 653 CG GLU A 42 23.943 4.548 -23.413 1.00 1.88 C ATOM 654 CD GLU A 42 24.721 5.842 -23.576 1.00 1.69 C ATOM 655 OE1 GLU A 42 24.361 6.633 -24.427 1.00 1.86 O ATOM 656 OE2 GLU A 42 25.652 5.932 -22.791 1.00 1.88 O ATOM 0 H GLU A 42 21.347 4.829 -22.531 1.00 1.63 H new ATOM 0 HA GLU A 42 21.288 2.731 -24.673 1.00 1.80 H new ATOM 0 HB2 GLU A 42 23.327 3.840 -25.420 1.00 1.97 H new ATOM 0 HB3 GLU A 42 22.379 5.196 -24.841 1.00 1.97 H new ATOM 0 HG2 GLU A 42 23.445 4.562 -22.444 1.00 1.88 H new ATOM 0 HG3 GLU A 42 24.649 3.718 -23.397 1.00 1.88 H new ATOM 663 N ARG A 43 23.224 1.310 -23.837 1.00 1.99 N ATOM 664 CA ARG A 43 23.990 0.135 -23.272 1.00 2.00 C ATOM 665 C ARG A 43 25.608 0.193 -23.223 1.00 2.32 C ATOM 666 O ARG A 43 26.202 -0.499 -24.030 1.00 2.97 O ATOM 667 CB ARG A 43 23.439 -1.022 -24.108 1.00 2.19 C ATOM 668 CG ARG A 43 23.650 -2.386 -23.453 1.00 2.17 C ATOM 669 CD ARG A 43 23.021 -3.371 -24.466 1.00 2.25 C ATOM 670 NE ARG A 43 22.991 -4.767 -23.916 1.00 2.40 N ATOM 671 CZ ARG A 43 22.814 -5.782 -24.670 1.00 2.60 C ATOM 672 NH1 ARG A 43 23.668 -5.981 -25.581 1.00 2.34 N ATOM 673 NH2 ARG A 43 21.797 -6.501 -24.441 1.00 3.41 N ATOM 0 H ARG A 43 23.263 1.360 -24.855 1.00 1.99 H new ATOM 0 HA ARG A 43 23.830 0.066 -22.196 1.00 2.00 H new ATOM 0 HB2 ARG A 43 22.373 -0.867 -24.275 1.00 2.19 H new ATOM 0 HB3 ARG A 43 23.919 -1.017 -25.086 1.00 2.19 H new ATOM 0 HG2 ARG A 43 24.708 -2.595 -23.293 1.00 2.17 H new ATOM 0 HG3 ARG A 43 23.162 -2.444 -22.480 1.00 2.17 H new ATOM 0 HD2 ARG A 43 22.008 -3.051 -24.708 1.00 2.25 H new ATOM 0 HD3 ARG A 43 23.591 -3.355 -25.395 1.00 2.25 H new ATOM 0 HE ARG A 43 23.115 -4.909 -22.914 1.00 2.40 H new ATOM 0 HH11 ARG A 43 24.457 -5.343 -25.689 1.00 2.34 H new ATOM 0 HH12 ARG A 43 23.568 -6.779 -26.208 1.00 2.34 H new ATOM 0 HH21 ARG A 43 21.162 -6.258 -23.681 1.00 3.41 H new ATOM 0 HH22 ARG A 43 21.613 -7.323 -25.017 1.00 3.41 H new ATOM 687 N PRO A 44 26.247 0.945 -22.325 1.00 2.02 N ATOM 688 CA PRO A 44 27.771 1.124 -22.148 1.00 2.37 C ATOM 689 C PRO A 44 28.897 0.079 -22.607 1.00 2.81 C ATOM 690 O PRO A 44 28.608 -0.944 -23.199 1.00 2.93 O ATOM 691 CB PRO A 44 27.800 1.550 -20.590 1.00 1.85 C ATOM 692 CG PRO A 44 26.595 2.556 -20.629 1.00 1.66 C ATOM 693 CD PRO A 44 25.493 1.732 -21.314 1.00 1.49 C ATOM 0 HA PRO A 44 28.133 1.809 -22.914 1.00 2.37 H new ATOM 0 HB2 PRO A 44 27.634 0.711 -19.914 1.00 1.85 H new ATOM 0 HB3 PRO A 44 28.738 2.018 -20.292 1.00 1.85 H new ATOM 0 HG2 PRO A 44 26.301 2.875 -19.629 1.00 1.66 H new ATOM 0 HG3 PRO A 44 26.837 3.457 -21.193 1.00 1.66 H new ATOM 0 HD2 PRO A 44 24.972 1.087 -20.606 1.00 1.49 H new ATOM 0 HD3 PRO A 44 24.741 2.370 -21.778 1.00 1.49 H new ATOM 701 N GLY A 45 30.177 0.291 -22.328 1.00 3.22 N ATOM 702 CA GLY A 45 31.276 -0.690 -22.775 1.00 3.88 C ATOM 703 C GLY A 45 31.788 -1.926 -21.954 1.00 4.71 C ATOM 704 O GLY A 45 31.074 -2.915 -21.908 1.00 4.95 O ATOM 0 H GLY A 45 30.520 1.100 -21.809 1.00 3.22 H new ATOM 0 HA2 GLY A 45 30.945 -1.088 -23.734 1.00 3.88 H new ATOM 0 HA3 GLY A 45 32.157 -0.079 -22.970 1.00 3.88 H new ATOM 708 N MET A 46 32.961 -1.860 -21.339 1.00 5.29 N ATOM 709 CA MET A 46 33.533 -3.019 -20.538 1.00 6.16 C ATOM 710 C MET A 46 33.311 -2.965 -18.995 1.00 4.83 C ATOM 711 O MET A 46 32.516 -3.752 -18.520 1.00 5.12 O ATOM 712 CB MET A 46 35.023 -3.046 -20.959 1.00 7.69 C ATOM 713 CG MET A 46 35.893 -1.924 -20.342 1.00 7.53 C ATOM 714 SD MET A 46 37.480 -1.616 -21.155 1.00 9.33 S ATOM 715 CE MET A 46 38.252 -3.210 -20.794 1.00 11.03 C ATOM 0 H MET A 46 33.560 -1.035 -21.358 1.00 5.29 H new ATOM 0 HA MET A 46 33.006 -3.946 -20.765 1.00 6.16 H new ATOM 0 HB2 MET A 46 35.447 -4.010 -20.680 1.00 7.69 H new ATOM 0 HB3 MET A 46 35.080 -2.975 -22.045 1.00 7.69 H new ATOM 0 HG2 MET A 46 35.317 -0.999 -20.350 1.00 7.53 H new ATOM 0 HG3 MET A 46 36.084 -2.172 -19.298 1.00 7.53 H new ATOM 0 HE1 MET A 46 39.287 -3.199 -21.137 1.00 11.03 H new ATOM 0 HE2 MET A 46 38.228 -3.391 -19.719 1.00 11.03 H new ATOM 0 HE3 MET A 46 37.708 -4.002 -21.308 1.00 11.03 H new ATOM 725 N LEU A 47 33.938 -2.108 -18.209 1.00 3.96 N ATOM 726 CA LEU A 47 33.619 -2.134 -16.716 1.00 2.83 C ATOM 727 C LEU A 47 32.271 -1.388 -16.645 1.00 1.36 C ATOM 728 O LEU A 47 31.544 -1.337 -15.673 1.00 1.06 O ATOM 729 CB LEU A 47 34.617 -1.333 -15.848 1.00 3.46 C ATOM 730 CG LEU A 47 35.599 -2.224 -15.044 1.00 4.31 C ATOM 731 CD1 LEU A 47 34.863 -3.325 -14.220 1.00 4.71 C ATOM 732 CD2 LEU A 47 36.575 -2.884 -16.027 1.00 5.58 C ATOM 0 H LEU A 47 34.627 -1.418 -18.509 1.00 3.96 H new ATOM 0 HA LEU A 47 33.639 -3.158 -16.344 1.00 2.83 H new ATOM 0 HB2 LEU A 47 35.190 -0.665 -16.491 1.00 3.46 H new ATOM 0 HB3 LEU A 47 34.059 -0.705 -15.154 1.00 3.46 H new ATOM 0 HG LEU A 47 36.128 -1.591 -14.332 1.00 4.31 H new ATOM 0 HD11 LEU A 47 35.595 -3.922 -13.675 1.00 4.71 H new ATOM 0 HD12 LEU A 47 34.180 -2.855 -13.513 1.00 4.71 H new ATOM 0 HD13 LEU A 47 34.300 -3.969 -14.895 1.00 4.71 H new ATOM 0 HD21 LEU A 47 37.274 -3.515 -15.478 1.00 5.58 H new ATOM 0 HD22 LEU A 47 36.018 -3.493 -16.739 1.00 5.58 H new ATOM 0 HD23 LEU A 47 37.128 -2.113 -16.564 1.00 5.58 H new ATOM 744 N ASP A 48 31.991 -0.826 -17.781 1.00 0.79 N ATOM 745 CA ASP A 48 30.819 -0.050 -18.118 1.00 0.89 C ATOM 746 C ASP A 48 29.582 -0.940 -17.855 1.00 0.82 C ATOM 747 O ASP A 48 28.486 -0.550 -18.182 1.00 1.22 O ATOM 748 CB ASP A 48 30.961 0.344 -19.600 1.00 2.15 C ATOM 749 CG ASP A 48 32.342 0.805 -20.118 1.00 2.67 C ATOM 750 OD1 ASP A 48 33.376 0.306 -19.700 1.00 2.21 O ATOM 751 OD2 ASP A 48 32.250 1.662 -20.973 1.00 3.93 O ATOM 0 H ASP A 48 32.630 -0.901 -18.572 1.00 0.79 H new ATOM 0 HA ASP A 48 30.710 0.858 -17.525 1.00 0.89 H new ATOM 0 HB2 ASP A 48 30.652 -0.512 -20.200 1.00 2.15 H new ATOM 0 HB3 ASP A 48 30.250 1.146 -19.798 1.00 2.15 H new ATOM 756 N PHE A 49 29.707 -2.126 -17.289 1.00 0.66 N ATOM 757 CA PHE A 49 28.484 -2.956 -17.027 1.00 1.22 C ATOM 758 C PHE A 49 27.737 -2.112 -15.989 1.00 0.69 C ATOM 759 O PHE A 49 26.545 -2.187 -15.814 1.00 0.51 O ATOM 760 CB PHE A 49 28.900 -4.356 -16.499 1.00 1.95 C ATOM 761 CG PHE A 49 29.664 -4.267 -15.189 1.00 1.67 C ATOM 762 CD1 PHE A 49 29.021 -3.951 -14.009 1.00 1.30 C ATOM 763 CD2 PHE A 49 31.015 -4.497 -15.190 1.00 2.31 C ATOM 764 CE1 PHE A 49 29.736 -3.866 -12.836 1.00 0.99 C ATOM 765 CE2 PHE A 49 31.724 -4.412 -14.023 1.00 2.45 C ATOM 766 CZ PHE A 49 31.095 -4.096 -12.851 1.00 1.67 C ATOM 0 H PHE A 49 30.591 -2.547 -17.002 1.00 0.66 H new ATOM 0 HA PHE A 49 27.867 -3.166 -17.901 1.00 1.22 H new ATOM 0 HB2 PHE A 49 28.010 -4.969 -16.359 1.00 1.95 H new ATOM 0 HB3 PHE A 49 29.517 -4.856 -17.245 1.00 1.95 H new ATOM 0 HD1 PHE A 49 27.956 -3.770 -14.006 1.00 1.30 H new ATOM 0 HD2 PHE A 49 31.520 -4.745 -16.112 1.00 2.31 H new ATOM 0 HE1 PHE A 49 29.236 -3.621 -11.911 1.00 0.99 H new ATOM 0 HE2 PHE A 49 32.788 -4.596 -14.028 1.00 2.45 H new ATOM 0 HZ PHE A 49 31.664 -4.026 -11.936 1.00 1.67 H new ATOM 776 N LYS A 50 28.469 -1.282 -15.295 1.00 0.78 N ATOM 777 CA LYS A 50 27.845 -0.388 -14.270 1.00 0.70 C ATOM 778 C LYS A 50 26.937 0.630 -14.987 1.00 0.73 C ATOM 779 O LYS A 50 26.275 1.435 -14.371 1.00 1.20 O ATOM 780 CB LYS A 50 28.942 0.318 -13.529 1.00 1.00 C ATOM 781 CG LYS A 50 29.410 -0.645 -12.393 1.00 2.19 C ATOM 782 CD LYS A 50 30.313 0.107 -11.372 1.00 2.73 C ATOM 783 CE LYS A 50 30.283 -0.540 -9.957 1.00 3.73 C ATOM 784 NZ LYS A 50 30.738 -1.958 -10.043 1.00 5.25 N ATOM 0 H LYS A 50 29.479 -1.183 -15.393 1.00 0.78 H new ATOM 0 HA LYS A 50 27.244 -0.962 -13.564 1.00 0.70 H new ATOM 0 HB2 LYS A 50 29.769 0.558 -14.198 1.00 1.00 H new ATOM 0 HB3 LYS A 50 28.584 1.260 -13.114 1.00 1.00 H new ATOM 0 HG2 LYS A 50 28.542 -1.061 -11.881 1.00 2.19 H new ATOM 0 HG3 LYS A 50 29.958 -1.483 -12.823 1.00 2.19 H new ATOM 0 HD2 LYS A 50 31.339 0.120 -11.740 1.00 2.73 H new ATOM 0 HD3 LYS A 50 29.987 1.145 -11.300 1.00 2.73 H new ATOM 0 HE2 LYS A 50 30.927 0.018 -9.278 1.00 3.73 H new ATOM 0 HE3 LYS A 50 29.274 -0.496 -9.548 1.00 3.73 H new ATOM 0 HZ1 LYS A 50 30.527 -2.445 -9.149 1.00 5.25 H new ATOM 0 HZ2 LYS A 50 30.242 -2.435 -10.822 1.00 5.25 H new ATOM 0 HZ3 LYS A 50 31.763 -1.984 -10.218 1.00 5.25 H new ATOM 798 N GLY A 51 26.977 0.557 -16.291 1.00 0.69 N ATOM 799 CA GLY A 51 26.202 1.379 -17.268 1.00 0.71 C ATOM 800 C GLY A 51 25.261 0.348 -17.960 1.00 0.51 C ATOM 801 O GLY A 51 24.061 0.521 -18.001 1.00 0.46 O ATOM 0 H GLY A 51 27.584 -0.115 -16.761 1.00 0.69 H new ATOM 0 HA2 GLY A 51 25.635 2.165 -16.768 1.00 0.71 H new ATOM 0 HA3 GLY A 51 26.858 1.868 -17.988 1.00 0.71 H new ATOM 805 N LYS A 52 25.815 -0.723 -18.481 1.00 0.46 N ATOM 806 CA LYS A 52 24.964 -1.754 -19.158 1.00 0.44 C ATOM 807 C LYS A 52 24.136 -2.590 -18.158 1.00 0.32 C ATOM 808 O LYS A 52 22.944 -2.499 -18.254 1.00 0.31 O ATOM 809 CB LYS A 52 25.850 -2.693 -19.950 1.00 0.57 C ATOM 810 CG LYS A 52 26.751 -1.905 -20.914 1.00 0.31 C ATOM 811 CD LYS A 52 28.207 -2.379 -20.651 1.00 0.82 C ATOM 812 CE LYS A 52 28.424 -3.781 -21.181 1.00 1.59 C ATOM 813 NZ LYS A 52 28.503 -3.663 -22.671 1.00 2.04 N ATOM 0 H LYS A 52 26.814 -0.927 -18.467 1.00 0.46 H new ATOM 0 HA LYS A 52 24.269 -1.221 -19.807 1.00 0.44 H new ATOM 0 HB2 LYS A 52 26.465 -3.282 -19.269 1.00 0.57 H new ATOM 0 HB3 LYS A 52 25.234 -3.395 -20.512 1.00 0.57 H new ATOM 0 HG2 LYS A 52 26.465 -2.090 -21.949 1.00 0.31 H new ATOM 0 HG3 LYS A 52 26.656 -0.833 -20.743 1.00 0.31 H new ATOM 0 HD2 LYS A 52 28.908 -1.694 -21.127 1.00 0.82 H new ATOM 0 HD3 LYS A 52 28.414 -2.354 -19.581 1.00 0.82 H new ATOM 0 HE2 LYS A 52 29.340 -4.211 -20.777 1.00 1.59 H new ATOM 0 HE3 LYS A 52 27.606 -4.438 -20.886 1.00 1.59 H new ATOM 0 HZ1 LYS A 52 27.838 -4.332 -23.108 1.00 2.04 H new ATOM 0 HZ2 LYS A 52 28.257 -2.694 -22.956 1.00 2.04 H new ATOM 0 HZ3 LYS A 52 29.470 -3.881 -22.986 1.00 2.04 H new ATOM 827 N ALA A 53 24.734 -3.364 -17.282 1.00 0.30 N ATOM 828 CA ALA A 53 23.984 -4.201 -16.274 1.00 0.23 C ATOM 829 C ALA A 53 22.583 -3.662 -15.973 1.00 0.24 C ATOM 830 O ALA A 53 21.573 -4.278 -16.220 1.00 0.34 O ATOM 831 CB ALA A 53 24.869 -4.251 -15.028 1.00 0.13 C ATOM 0 H ALA A 53 25.748 -3.456 -17.219 1.00 0.30 H new ATOM 0 HA ALA A 53 23.800 -5.201 -16.667 1.00 0.23 H new ATOM 0 HB1 ALA A 53 24.379 -4.846 -14.257 1.00 0.13 H new ATOM 0 HB2 ALA A 53 25.828 -4.704 -15.281 1.00 0.13 H new ATOM 0 HB3 ALA A 53 25.032 -3.239 -14.657 1.00 0.13 H new ATOM 837 N LYS A 54 22.590 -2.491 -15.437 1.00 0.17 N ATOM 838 CA LYS A 54 21.331 -1.786 -15.084 1.00 0.15 C ATOM 839 C LYS A 54 20.484 -1.619 -16.381 1.00 0.14 C ATOM 840 O LYS A 54 19.319 -1.979 -16.409 1.00 0.17 O ATOM 841 CB LYS A 54 21.851 -0.525 -14.463 1.00 0.25 C ATOM 842 CG LYS A 54 22.693 0.198 -15.463 1.00 0.75 C ATOM 843 CD LYS A 54 23.707 0.931 -14.738 1.00 1.01 C ATOM 844 CE LYS A 54 23.111 2.032 -13.898 1.00 0.50 C ATOM 845 NZ LYS A 54 24.198 3.013 -13.731 1.00 1.10 N ATOM 0 H LYS A 54 23.439 -1.970 -15.219 1.00 0.17 H new ATOM 0 HA LYS A 54 20.648 -2.284 -14.396 1.00 0.15 H new ATOM 0 HB2 LYS A 54 21.022 0.106 -14.142 1.00 0.25 H new ATOM 0 HB3 LYS A 54 22.438 -0.757 -13.574 1.00 0.25 H new ATOM 0 HG2 LYS A 54 23.153 -0.506 -16.156 1.00 0.75 H new ATOM 0 HG3 LYS A 54 22.082 0.877 -16.057 1.00 0.75 H new ATOM 0 HD2 LYS A 54 24.262 0.246 -14.098 1.00 1.01 H new ATOM 0 HD3 LYS A 54 24.421 1.358 -15.443 1.00 1.01 H new ATOM 0 HE2 LYS A 54 22.247 2.480 -14.389 1.00 0.50 H new ATOM 0 HE3 LYS A 54 22.769 1.653 -12.935 1.00 0.50 H new ATOM 0 HZ1 LYS A 54 24.330 3.216 -12.720 1.00 1.10 H new ATOM 0 HZ2 LYS A 54 25.079 2.625 -14.124 1.00 1.10 H new ATOM 0 HZ3 LYS A 54 23.953 3.891 -14.231 1.00 1.10 H new ATOM 859 N TRP A 55 21.103 -1.091 -17.415 1.00 0.21 N ATOM 860 CA TRP A 55 20.406 -0.884 -18.709 1.00 0.28 C ATOM 861 C TRP A 55 19.762 -2.215 -19.079 1.00 0.37 C ATOM 862 O TRP A 55 18.563 -2.371 -19.054 1.00 0.43 O ATOM 863 CB TRP A 55 21.443 -0.479 -19.761 1.00 0.47 C ATOM 864 CG TRP A 55 20.640 0.129 -20.864 1.00 0.77 C ATOM 865 CD1 TRP A 55 20.245 1.404 -20.792 1.00 0.85 C ATOM 866 CD2 TRP A 55 20.184 -0.447 -21.996 1.00 1.02 C ATOM 867 NE1 TRP A 55 19.562 1.532 -21.892 1.00 1.09 N ATOM 868 CE2 TRP A 55 19.461 0.490 -22.691 1.00 1.22 C ATOM 869 CE3 TRP A 55 20.317 -1.719 -22.512 1.00 1.12 C ATOM 870 CZ2 TRP A 55 18.875 0.178 -23.890 1.00 1.49 C ATOM 871 CZ3 TRP A 55 19.729 -2.040 -23.718 1.00 1.42 C ATOM 872 CH2 TRP A 55 19.007 -1.089 -24.411 1.00 1.60 C ATOM 0 H TRP A 55 22.078 -0.793 -17.407 1.00 0.21 H new ATOM 0 HA TRP A 55 19.649 -0.102 -18.649 1.00 0.28 H new ATOM 0 HB2 TRP A 55 22.163 0.232 -19.356 1.00 0.47 H new ATOM 0 HB3 TRP A 55 22.010 -1.341 -20.112 1.00 0.47 H new ATOM 0 HD1 TRP A 55 20.441 2.136 -20.023 1.00 0.85 H new ATOM 0 HE1 TRP A 55 19.116 2.418 -22.130 1.00 1.09 H new ATOM 0 HE3 TRP A 55 20.882 -2.464 -21.972 1.00 1.12 H new ATOM 0 HZ2 TRP A 55 18.310 0.926 -24.426 1.00 1.49 H new ATOM 0 HZ3 TRP A 55 19.834 -3.037 -24.121 1.00 1.42 H new ATOM 0 HH2 TRP A 55 18.548 -1.338 -25.357 1.00 1.60 H new ATOM 883 N ASP A 56 20.650 -3.108 -19.389 1.00 0.39 N ATOM 884 CA ASP A 56 20.362 -4.491 -19.784 1.00 0.48 C ATOM 885 C ASP A 56 19.210 -5.059 -18.934 1.00 0.46 C ATOM 886 O ASP A 56 18.171 -5.368 -19.484 1.00 0.46 O ATOM 887 CB ASP A 56 21.761 -5.208 -19.633 1.00 0.57 C ATOM 888 CG ASP A 56 22.329 -5.531 -20.995 1.00 0.82 C ATOM 889 OD1 ASP A 56 21.600 -5.993 -21.846 1.00 1.57 O ATOM 890 OD2 ASP A 56 23.508 -5.295 -21.153 1.00 0.82 O ATOM 0 H ASP A 56 21.649 -2.903 -19.379 1.00 0.39 H new ATOM 0 HA ASP A 56 19.991 -4.624 -20.800 1.00 0.48 H new ATOM 0 HB2 ASP A 56 22.451 -4.565 -19.086 1.00 0.57 H new ATOM 0 HB3 ASP A 56 21.649 -6.123 -19.051 1.00 0.57 H new ATOM 895 N ALA A 57 19.424 -5.170 -17.650 1.00 0.44 N ATOM 896 CA ALA A 57 18.403 -5.698 -16.711 1.00 0.44 C ATOM 897 C ALA A 57 17.040 -4.982 -16.886 1.00 0.37 C ATOM 898 O ALA A 57 15.998 -5.593 -16.993 1.00 0.34 O ATOM 899 CB ALA A 57 19.011 -5.513 -15.298 1.00 0.42 C ATOM 0 H ALA A 57 20.301 -4.904 -17.201 1.00 0.44 H new ATOM 0 HA ALA A 57 18.178 -6.748 -16.897 1.00 0.44 H new ATOM 0 HB1 ALA A 57 18.310 -5.882 -14.549 1.00 0.42 H new ATOM 0 HB2 ALA A 57 19.945 -6.071 -15.228 1.00 0.42 H new ATOM 0 HB3 ALA A 57 19.206 -4.455 -15.122 1.00 0.42 H new ATOM 905 N TRP A 58 17.070 -3.675 -16.918 1.00 0.33 N ATOM 906 CA TRP A 58 15.793 -2.887 -17.079 1.00 0.27 C ATOM 907 C TRP A 58 15.160 -3.040 -18.487 1.00 0.29 C ATOM 908 O TRP A 58 13.970 -3.238 -18.628 1.00 0.30 O ATOM 909 CB TRP A 58 16.131 -1.398 -16.759 1.00 0.23 C ATOM 910 CG TRP A 58 14.920 -0.475 -16.982 1.00 0.21 C ATOM 911 CD1 TRP A 58 13.600 -0.842 -16.964 1.00 0.26 C ATOM 912 CD2 TRP A 58 15.017 0.842 -17.259 1.00 0.15 C ATOM 913 NE1 TRP A 58 12.989 0.307 -17.246 1.00 0.21 N ATOM 914 CE2 TRP A 58 13.758 1.358 -17.436 1.00 0.14 C ATOM 915 CE3 TRP A 58 16.112 1.680 -17.372 1.00 0.15 C ATOM 916 CZ2 TRP A 58 13.585 2.688 -17.730 1.00 0.10 C ATOM 917 CZ3 TRP A 58 15.936 3.014 -17.665 1.00 0.18 C ATOM 918 CH2 TRP A 58 14.680 3.512 -17.844 1.00 0.16 C ATOM 0 H TRP A 58 17.917 -3.113 -16.840 1.00 0.33 H new ATOM 0 HA TRP A 58 15.039 -3.271 -16.393 1.00 0.27 H new ATOM 0 HB2 TRP A 58 16.465 -1.316 -15.725 1.00 0.23 H new ATOM 0 HB3 TRP A 58 16.958 -1.070 -17.388 1.00 0.23 H new ATOM 0 HD1 TRP A 58 13.167 -1.812 -16.771 1.00 0.26 H new ATOM 0 HE1 TRP A 58 11.973 0.370 -17.312 1.00 0.21 H new ATOM 0 HE3 TRP A 58 17.108 1.287 -17.230 1.00 0.15 H new ATOM 0 HZ2 TRP A 58 12.591 3.086 -17.871 1.00 0.10 H new ATOM 0 HZ3 TRP A 58 16.793 3.665 -17.753 1.00 0.18 H new ATOM 0 HH2 TRP A 58 14.544 4.558 -18.076 1.00 0.16 H new ATOM 929 N ASN A 59 15.951 -2.948 -19.503 1.00 0.36 N ATOM 930 CA ASN A 59 15.489 -3.073 -20.901 1.00 0.47 C ATOM 931 C ASN A 59 14.632 -4.344 -21.124 1.00 0.54 C ATOM 932 O ASN A 59 13.820 -4.381 -22.027 1.00 0.62 O ATOM 933 CB ASN A 59 16.764 -3.054 -21.723 1.00 0.51 C ATOM 934 CG ASN A 59 16.445 -2.709 -23.154 1.00 0.54 C ATOM 935 OD1 ASN A 59 15.917 -1.689 -23.526 1.00 0.69 O ATOM 936 ND2 ASN A 59 16.760 -3.576 -24.029 1.00 0.66 N ATOM 0 H ASN A 59 16.954 -2.782 -19.416 1.00 0.36 H new ATOM 0 HA ASN A 59 14.818 -2.264 -21.192 1.00 0.47 H new ATOM 0 HB2 ASN A 59 17.462 -2.325 -21.311 1.00 0.51 H new ATOM 0 HB3 ASN A 59 17.253 -4.027 -21.674 1.00 0.51 H new ATOM 0 HD21 ASN A 59 16.565 -3.400 -25.015 1.00 0.66 H new ATOM 0 HD22 ASN A 59 17.207 -4.448 -23.745 1.00 0.66 H new ATOM 943 N GLU A 60 14.825 -5.332 -20.287 1.00 0.54 N ATOM 944 CA GLU A 60 14.052 -6.611 -20.414 1.00 0.57 C ATOM 945 C GLU A 60 12.585 -6.417 -19.971 1.00 0.51 C ATOM 946 O GLU A 60 11.688 -7.132 -20.368 1.00 0.63 O ATOM 947 CB GLU A 60 14.801 -7.669 -19.549 1.00 0.68 C ATOM 948 CG GLU A 60 15.800 -8.499 -20.444 1.00 0.88 C ATOM 949 CD GLU A 60 16.531 -9.635 -19.690 1.00 1.06 C ATOM 950 OE1 GLU A 60 16.281 -9.844 -18.513 1.00 1.53 O ATOM 951 OE2 GLU A 60 17.327 -10.250 -20.380 1.00 2.04 O ATOM 0 H GLU A 60 15.490 -5.310 -19.514 1.00 0.54 H new ATOM 0 HA GLU A 60 14.000 -6.946 -21.450 1.00 0.57 H new ATOM 0 HB2 GLU A 60 15.347 -7.172 -18.747 1.00 0.68 H new ATOM 0 HB3 GLU A 60 14.082 -8.339 -19.078 1.00 0.68 H new ATOM 0 HG2 GLU A 60 15.250 -8.929 -21.281 1.00 0.88 H new ATOM 0 HG3 GLU A 60 16.542 -7.821 -20.865 1.00 0.88 H new ATOM 958 N LEU A 61 12.431 -5.427 -19.142 1.00 0.39 N ATOM 959 CA LEU A 61 11.146 -4.978 -18.532 1.00 0.37 C ATOM 960 C LEU A 61 10.507 -3.799 -19.270 1.00 0.30 C ATOM 961 O LEU A 61 9.313 -3.617 -19.229 1.00 0.44 O ATOM 962 CB LEU A 61 11.414 -4.531 -17.107 1.00 0.32 C ATOM 963 CG LEU A 61 12.445 -5.366 -16.391 1.00 0.32 C ATOM 964 CD1 LEU A 61 12.555 -4.801 -14.997 1.00 0.34 C ATOM 965 CD2 LEU A 61 12.034 -6.802 -16.407 1.00 0.37 C ATOM 0 H LEU A 61 13.221 -4.860 -18.836 1.00 0.39 H new ATOM 0 HA LEU A 61 10.459 -5.823 -18.585 1.00 0.37 H new ATOM 0 HB2 LEU A 61 11.745 -3.493 -17.118 1.00 0.32 H new ATOM 0 HB3 LEU A 61 10.481 -4.562 -16.545 1.00 0.32 H new ATOM 0 HG LEU A 61 13.421 -5.330 -16.874 1.00 0.32 H new ATOM 0 HD11 LEU A 61 13.292 -5.371 -14.431 1.00 0.34 H new ATOM 0 HD12 LEU A 61 12.866 -3.758 -15.051 1.00 0.34 H new ATOM 0 HD13 LEU A 61 11.587 -4.866 -14.501 1.00 0.34 H new ATOM 0 HD21 LEU A 61 12.783 -7.401 -15.888 1.00 0.37 H new ATOM 0 HD22 LEU A 61 11.072 -6.911 -15.906 1.00 0.37 H new ATOM 0 HD23 LEU A 61 11.947 -7.144 -17.438 1.00 0.37 H new ATOM 977 N LYS A 62 11.354 -3.053 -19.915 1.00 0.15 N ATOM 978 CA LYS A 62 10.994 -1.835 -20.704 1.00 0.26 C ATOM 979 C LYS A 62 9.515 -1.581 -21.001 1.00 0.69 C ATOM 980 O LYS A 62 9.062 -0.485 -20.786 1.00 1.65 O ATOM 981 CB LYS A 62 11.825 -1.906 -22.023 1.00 0.13 C ATOM 982 CG LYS A 62 11.342 -0.757 -22.945 1.00 0.22 C ATOM 983 CD LYS A 62 12.224 -0.598 -24.232 1.00 0.49 C ATOM 984 CE LYS A 62 11.562 0.422 -25.177 1.00 0.73 C ATOM 985 NZ LYS A 62 11.626 1.796 -24.582 1.00 1.68 N ATOM 0 H LYS A 62 12.354 -3.252 -19.929 1.00 0.15 H new ATOM 0 HA LYS A 62 11.233 -0.979 -20.073 1.00 0.26 H new ATOM 0 HB2 LYS A 62 12.889 -1.805 -21.811 1.00 0.13 H new ATOM 0 HB3 LYS A 62 11.688 -2.871 -22.510 1.00 0.13 H new ATOM 0 HG2 LYS A 62 10.309 -0.943 -23.239 1.00 0.22 H new ATOM 0 HG3 LYS A 62 11.351 0.179 -22.386 1.00 0.22 H new ATOM 0 HD2 LYS A 62 13.226 -0.264 -23.962 1.00 0.49 H new ATOM 0 HD3 LYS A 62 12.333 -1.559 -24.734 1.00 0.49 H new ATOM 0 HE2 LYS A 62 12.065 0.413 -26.144 1.00 0.73 H new ATOM 0 HE3 LYS A 62 10.524 0.143 -25.355 1.00 0.73 H new ATOM 0 HZ1 LYS A 62 11.772 2.495 -25.338 1.00 1.68 H new ATOM 0 HZ2 LYS A 62 10.735 2.002 -24.087 1.00 1.68 H new ATOM 0 HZ3 LYS A 62 12.416 1.846 -23.907 1.00 1.68 H new ATOM 999 N GLY A 63 8.829 -2.572 -21.475 1.00 0.16 N ATOM 1000 CA GLY A 63 7.358 -2.423 -21.801 1.00 0.39 C ATOM 1001 C GLY A 63 6.432 -3.081 -20.761 1.00 0.40 C ATOM 1002 O GLY A 63 5.382 -3.602 -21.077 1.00 0.44 O ATOM 0 H GLY A 63 9.213 -3.499 -21.659 1.00 0.16 H new ATOM 0 HA2 GLY A 63 7.115 -1.363 -21.874 1.00 0.39 H new ATOM 0 HA3 GLY A 63 7.164 -2.863 -22.779 1.00 0.39 H new ATOM 1006 N THR A 64 6.858 -3.022 -19.535 1.00 0.40 N ATOM 1007 CA THR A 64 6.083 -3.611 -18.379 1.00 0.45 C ATOM 1008 C THR A 64 5.271 -2.546 -17.671 1.00 0.45 C ATOM 1009 O THR A 64 5.388 -1.354 -17.900 1.00 0.47 O ATOM 1010 CB THR A 64 7.066 -4.261 -17.333 1.00 0.38 C ATOM 1011 OG1 THR A 64 7.161 -5.612 -17.740 1.00 0.52 O ATOM 1012 CG2 THR A 64 6.602 -4.407 -15.845 1.00 0.46 C ATOM 0 H THR A 64 7.736 -2.579 -19.264 1.00 0.40 H new ATOM 0 HA THR A 64 5.414 -4.369 -18.787 1.00 0.45 H new ATOM 0 HB THR A 64 7.940 -3.609 -17.332 1.00 0.38 H new ATOM 0 HG1 THR A 64 7.763 -6.094 -17.136 1.00 0.52 H new ATOM 0 HG21 THR A 64 7.396 -4.872 -15.260 1.00 0.46 H new ATOM 0 HG22 THR A 64 6.379 -3.422 -15.435 1.00 0.46 H new ATOM 0 HG23 THR A 64 5.708 -5.029 -15.802 1.00 0.46 H new ATOM 1020 N SER A 65 4.441 -3.028 -16.791 1.00 0.44 N ATOM 1021 CA SER A 65 3.589 -2.099 -16.012 1.00 0.44 C ATOM 1022 C SER A 65 4.340 -1.861 -14.716 1.00 0.34 C ATOM 1023 O SER A 65 4.690 -2.750 -13.957 1.00 0.32 O ATOM 1024 CB SER A 65 2.259 -2.696 -15.651 1.00 0.50 C ATOM 1025 OG SER A 65 1.713 -3.094 -16.904 1.00 1.83 O ATOM 0 H SER A 65 4.318 -4.018 -16.580 1.00 0.44 H new ATOM 0 HA SER A 65 3.398 -1.202 -16.601 1.00 0.44 H new ATOM 0 HB2 SER A 65 2.372 -3.545 -14.976 1.00 0.50 H new ATOM 0 HB3 SER A 65 1.619 -1.971 -15.148 1.00 0.50 H new ATOM 0 HG SER A 65 0.833 -3.502 -16.763 1.00 1.83 H new ATOM 1031 N LYS A 66 4.565 -0.604 -14.528 1.00 0.34 N ATOM 1032 CA LYS A 66 5.290 -0.095 -13.329 1.00 0.24 C ATOM 1033 C LYS A 66 5.142 -0.894 -12.008 1.00 0.18 C ATOM 1034 O LYS A 66 6.046 -1.300 -11.307 1.00 0.22 O ATOM 1035 CB LYS A 66 4.826 1.328 -13.059 1.00 0.31 C ATOM 1036 CG LYS A 66 5.188 2.376 -14.102 1.00 0.53 C ATOM 1037 CD LYS A 66 4.523 3.724 -13.660 1.00 0.97 C ATOM 1038 CE LYS A 66 5.061 4.255 -12.303 1.00 2.11 C ATOM 1039 NZ LYS A 66 4.530 3.461 -11.141 1.00 3.55 N ATOM 0 H LYS A 66 4.268 0.126 -15.176 1.00 0.34 H new ATOM 0 HA LYS A 66 6.343 -0.189 -13.596 1.00 0.24 H new ATOM 0 HB2 LYS A 66 3.742 1.317 -12.950 1.00 0.31 H new ATOM 0 HB3 LYS A 66 5.239 1.644 -12.101 1.00 0.31 H new ATOM 0 HG2 LYS A 66 6.270 2.487 -14.175 1.00 0.53 H new ATOM 0 HG3 LYS A 66 4.831 2.077 -15.087 1.00 0.53 H new ATOM 0 HD2 LYS A 66 4.694 4.476 -14.431 1.00 0.97 H new ATOM 0 HD3 LYS A 66 3.445 3.583 -13.586 1.00 0.97 H new ATOM 0 HE2 LYS A 66 6.150 4.214 -12.303 1.00 2.11 H new ATOM 0 HE3 LYS A 66 4.781 5.302 -12.186 1.00 2.11 H new ATOM 0 HZ1 LYS A 66 4.365 4.095 -10.333 1.00 3.55 H new ATOM 0 HZ2 LYS A 66 3.635 3.006 -11.412 1.00 3.55 H new ATOM 0 HZ3 LYS A 66 5.222 2.732 -10.873 1.00 3.55 H new ATOM 1053 N GLU A 67 3.915 -1.112 -11.714 1.00 0.37 N ATOM 1054 CA GLU A 67 3.519 -1.834 -10.479 1.00 0.39 C ATOM 1055 C GLU A 67 3.950 -3.278 -10.442 1.00 0.36 C ATOM 1056 O GLU A 67 4.419 -3.736 -9.414 1.00 0.29 O ATOM 1057 CB GLU A 67 2.048 -1.552 -10.427 1.00 0.69 C ATOM 1058 CG GLU A 67 1.940 -0.078 -9.758 1.00 0.93 C ATOM 1059 CD GLU A 67 2.713 1.043 -10.485 1.00 2.03 C ATOM 1060 OE1 GLU A 67 3.915 1.112 -10.297 1.00 3.13 O ATOM 1061 OE2 GLU A 67 2.122 1.818 -11.211 1.00 2.22 O ATOM 0 H GLU A 67 3.131 -0.813 -12.294 1.00 0.37 H new ATOM 0 HA GLU A 67 4.023 -1.501 -9.571 1.00 0.39 H new ATOM 0 HB2 GLU A 67 1.605 -1.569 -11.423 1.00 0.69 H new ATOM 0 HB3 GLU A 67 1.522 -2.298 -9.831 1.00 0.69 H new ATOM 0 HG2 GLU A 67 0.888 0.203 -9.710 1.00 0.93 H new ATOM 0 HG3 GLU A 67 2.302 -0.137 -8.731 1.00 0.93 H new ATOM 1068 N ASP A 68 3.793 -3.984 -11.515 1.00 0.50 N ATOM 1069 CA ASP A 68 4.234 -5.401 -11.538 1.00 0.60 C ATOM 1070 C ASP A 68 5.741 -5.342 -11.261 1.00 0.53 C ATOM 1071 O ASP A 68 6.295 -6.108 -10.495 1.00 0.55 O ATOM 1072 CB ASP A 68 3.857 -5.878 -12.917 1.00 0.82 C ATOM 1073 CG ASP A 68 2.355 -6.062 -13.025 1.00 1.20 C ATOM 1074 OD1 ASP A 68 1.684 -5.048 -13.096 1.00 2.53 O ATOM 1075 OD2 ASP A 68 1.973 -7.213 -13.030 1.00 0.85 O ATOM 0 H ASP A 68 3.377 -3.643 -12.382 1.00 0.50 H new ATOM 0 HA ASP A 68 3.794 -6.085 -10.812 1.00 0.60 H new ATOM 0 HB2 ASP A 68 4.195 -5.158 -13.662 1.00 0.82 H new ATOM 0 HB3 ASP A 68 4.361 -6.820 -13.132 1.00 0.82 H new ATOM 1080 N ALA A 69 6.365 -4.405 -11.910 1.00 0.46 N ATOM 1081 CA ALA A 69 7.842 -4.221 -11.718 1.00 0.45 C ATOM 1082 C ALA A 69 8.075 -4.012 -10.197 1.00 0.38 C ATOM 1083 O ALA A 69 8.927 -4.661 -9.612 1.00 0.44 O ATOM 1084 CB ALA A 69 8.300 -2.995 -12.502 1.00 0.41 C ATOM 0 H ALA A 69 5.927 -3.757 -12.564 1.00 0.46 H new ATOM 0 HA ALA A 69 8.406 -5.083 -12.075 1.00 0.45 H new ATOM 0 HB1 ALA A 69 9.373 -2.856 -12.366 1.00 0.41 H new ATOM 0 HB2 ALA A 69 8.084 -3.138 -13.561 1.00 0.41 H new ATOM 0 HB3 ALA A 69 7.771 -2.113 -12.140 1.00 0.41 H new ATOM 1090 N MET A 70 7.330 -3.115 -9.594 1.00 0.32 N ATOM 1091 CA MET A 70 7.481 -2.861 -8.133 1.00 0.37 C ATOM 1092 C MET A 70 7.489 -4.170 -7.363 1.00 0.39 C ATOM 1093 O MET A 70 8.407 -4.382 -6.605 1.00 0.45 O ATOM 1094 CB MET A 70 6.324 -2.064 -7.531 1.00 0.34 C ATOM 1095 CG MET A 70 6.092 -0.679 -8.069 1.00 0.24 C ATOM 1096 SD MET A 70 4.731 0.173 -7.238 1.00 0.11 S ATOM 1097 CE MET A 70 5.182 1.833 -7.794 1.00 0.46 C ATOM 0 H MET A 70 6.621 -2.547 -10.058 1.00 0.32 H new ATOM 0 HA MET A 70 8.413 -2.303 -8.046 1.00 0.37 H new ATOM 0 HB2 MET A 70 5.409 -2.639 -7.671 1.00 0.34 H new ATOM 0 HB3 MET A 70 6.490 -1.986 -6.457 1.00 0.34 H new ATOM 0 HG2 MET A 70 7.004 -0.093 -7.958 1.00 0.24 H new ATOM 0 HG3 MET A 70 5.880 -0.739 -9.136 1.00 0.24 H new ATOM 0 HE1 MET A 70 4.278 2.405 -8.003 1.00 0.46 H new ATOM 0 HE2 MET A 70 5.756 2.334 -7.015 1.00 0.46 H new ATOM 0 HE3 MET A 70 5.784 1.762 -8.700 1.00 0.46 H new ATOM 1107 N LYS A 71 6.478 -4.984 -7.578 1.00 0.33 N ATOM 1108 CA LYS A 71 6.357 -6.285 -6.890 1.00 0.35 C ATOM 1109 C LYS A 71 7.694 -6.885 -6.493 1.00 0.33 C ATOM 1110 O LYS A 71 7.975 -6.998 -5.319 1.00 0.43 O ATOM 1111 CB LYS A 71 5.551 -7.217 -7.830 1.00 0.36 C ATOM 1112 CG LYS A 71 4.319 -7.700 -7.076 1.00 0.54 C ATOM 1113 CD LYS A 71 4.685 -8.711 -5.897 1.00 1.99 C ATOM 1114 CE LYS A 71 4.965 -8.054 -4.510 1.00 3.19 C ATOM 1115 NZ LYS A 71 6.355 -8.368 -4.052 1.00 4.66 N ATOM 0 H LYS A 71 5.716 -4.781 -8.225 1.00 0.33 H new ATOM 0 HA LYS A 71 5.839 -6.150 -5.941 1.00 0.35 H new ATOM 0 HB2 LYS A 71 5.259 -6.684 -8.735 1.00 0.36 H new ATOM 0 HB3 LYS A 71 6.162 -8.064 -8.142 1.00 0.36 H new ATOM 0 HG2 LYS A 71 3.789 -6.841 -6.663 1.00 0.54 H new ATOM 0 HG3 LYS A 71 3.639 -8.190 -7.773 1.00 0.54 H new ATOM 0 HD2 LYS A 71 3.866 -9.421 -5.784 1.00 1.99 H new ATOM 0 HD3 LYS A 71 5.565 -9.283 -6.193 1.00 1.99 H new ATOM 0 HE2 LYS A 71 4.834 -6.974 -4.579 1.00 3.19 H new ATOM 0 HE3 LYS A 71 4.244 -8.416 -3.777 1.00 3.19 H new ATOM 0 HZ1 LYS A 71 6.366 -8.463 -3.016 1.00 4.66 H new ATOM 0 HZ2 LYS A 71 6.670 -9.260 -4.485 1.00 4.66 H new ATOM 0 HZ3 LYS A 71 6.996 -7.600 -4.336 1.00 4.66 H new ATOM 1129 N ALA A 72 8.476 -7.218 -7.473 1.00 0.29 N ATOM 1130 CA ALA A 72 9.807 -7.819 -7.151 1.00 0.22 C ATOM 1131 C ALA A 72 10.772 -6.669 -6.777 1.00 0.20 C ATOM 1132 O ALA A 72 11.579 -6.874 -5.895 1.00 0.23 O ATOM 1133 CB ALA A 72 10.225 -8.598 -8.393 1.00 0.38 C ATOM 0 H ALA A 72 8.265 -7.107 -8.465 1.00 0.29 H new ATOM 0 HA ALA A 72 9.798 -8.502 -6.302 1.00 0.22 H new ATOM 0 HB1 ALA A 72 11.195 -9.064 -8.221 1.00 0.38 H new ATOM 0 HB2 ALA A 72 9.485 -9.369 -8.605 1.00 0.38 H new ATOM 0 HB3 ALA A 72 10.294 -7.919 -9.242 1.00 0.38 H new ATOM 1139 N TYR A 73 10.712 -5.512 -7.406 1.00 0.21 N ATOM 1140 CA TYR A 73 11.656 -4.422 -6.993 1.00 0.22 C ATOM 1141 C TYR A 73 11.810 -4.383 -5.469 1.00 0.23 C ATOM 1142 O TYR A 73 12.870 -4.513 -4.892 1.00 0.28 O ATOM 1143 CB TYR A 73 11.144 -3.047 -7.404 1.00 0.20 C ATOM 1144 CG TYR A 73 12.102 -2.092 -6.712 1.00 0.14 C ATOM 1145 CD1 TYR A 73 13.413 -2.068 -7.117 1.00 0.85 C ATOM 1146 CD2 TYR A 73 11.677 -1.273 -5.681 1.00 0.59 C ATOM 1147 CE1 TYR A 73 14.286 -1.234 -6.501 1.00 0.85 C ATOM 1148 CE2 TYR A 73 12.572 -0.435 -5.078 1.00 0.58 C ATOM 1149 CZ TYR A 73 13.870 -0.430 -5.500 1.00 0.18 C ATOM 1150 OH TYR A 73 14.788 0.384 -4.915 1.00 0.27 O ATOM 0 H TYR A 73 10.070 -5.282 -8.164 1.00 0.21 H new ATOM 0 HA TYR A 73 12.603 -4.642 -7.485 1.00 0.22 H new ATOM 0 HB2 TYR A 73 11.161 -2.919 -8.486 1.00 0.20 H new ATOM 0 HB3 TYR A 73 10.115 -2.888 -7.081 1.00 0.20 H new ATOM 0 HD1 TYR A 73 13.746 -2.709 -7.920 1.00 0.85 H new ATOM 0 HD2 TYR A 73 10.647 -1.296 -5.356 1.00 0.59 H new ATOM 0 HE1 TYR A 73 15.320 -1.213 -6.813 1.00 0.85 H new ATOM 0 HE2 TYR A 73 12.256 0.216 -4.276 1.00 0.58 H new ATOM 0 HH TYR A 73 15.276 0.878 -5.607 1.00 0.27 H new ATOM 1160 N ILE A 74 10.645 -4.194 -4.928 1.00 0.22 N ATOM 1161 CA ILE A 74 10.443 -4.094 -3.480 1.00 0.21 C ATOM 1162 C ILE A 74 11.128 -5.289 -2.848 1.00 0.25 C ATOM 1163 O ILE A 74 12.088 -5.123 -2.143 1.00 0.29 O ATOM 1164 CB ILE A 74 8.946 -4.086 -3.253 1.00 0.27 C ATOM 1165 CG1 ILE A 74 8.275 -2.899 -3.951 1.00 0.34 C ATOM 1166 CG2 ILE A 74 8.787 -3.894 -1.756 1.00 0.27 C ATOM 1167 CD1 ILE A 74 6.741 -3.107 -3.954 1.00 0.40 C ATOM 0 H ILE A 74 9.786 -4.101 -5.470 1.00 0.22 H new ATOM 0 HA ILE A 74 10.865 -3.193 -3.034 1.00 0.21 H new ATOM 0 HB ILE A 74 8.492 -4.998 -3.641 1.00 0.27 H new ATOM 0 HG12 ILE A 74 8.527 -1.971 -3.438 1.00 0.34 H new ATOM 0 HG13 ILE A 74 8.643 -2.808 -4.973 1.00 0.34 H new ATOM 0 HG21 ILE A 74 7.727 -3.876 -1.502 1.00 0.27 H new ATOM 0 HG22 ILE A 74 9.272 -4.716 -1.230 1.00 0.27 H new ATOM 0 HG23 ILE A 74 9.247 -2.951 -1.459 1.00 0.27 H new ATOM 0 HD11 ILE A 74 6.260 -2.264 -4.450 1.00 0.40 H new ATOM 0 HD12 ILE A 74 6.500 -4.027 -4.486 1.00 0.40 H new ATOM 0 HD13 ILE A 74 6.381 -3.177 -2.927 1.00 0.40 H new ATOM 1179 N ASP A 75 10.627 -6.455 -3.113 1.00 0.27 N ATOM 1180 CA ASP A 75 11.196 -7.703 -2.573 1.00 0.30 C ATOM 1181 C ASP A 75 12.719 -7.714 -2.617 1.00 0.30 C ATOM 1182 O ASP A 75 13.387 -8.091 -1.679 1.00 0.29 O ATOM 1183 CB ASP A 75 10.548 -8.780 -3.432 1.00 0.38 C ATOM 1184 CG ASP A 75 9.034 -8.814 -3.353 1.00 0.78 C ATOM 1185 OD1 ASP A 75 8.430 -7.969 -2.709 1.00 1.61 O ATOM 1186 OD2 ASP A 75 8.485 -9.703 -3.981 1.00 1.49 O ATOM 0 H ASP A 75 9.811 -6.595 -3.708 1.00 0.27 H new ATOM 0 HA ASP A 75 10.988 -7.849 -1.513 1.00 0.30 H new ATOM 0 HB2 ASP A 75 10.843 -8.626 -4.470 1.00 0.38 H new ATOM 0 HB3 ASP A 75 10.938 -9.752 -3.130 1.00 0.38 H new ATOM 1191 N LYS A 76 13.225 -7.273 -3.729 1.00 0.31 N ATOM 1192 CA LYS A 76 14.710 -7.234 -3.915 1.00 0.35 C ATOM 1193 C LYS A 76 15.292 -6.200 -2.978 1.00 0.31 C ATOM 1194 O LYS A 76 16.264 -6.491 -2.306 1.00 0.24 O ATOM 1195 CB LYS A 76 15.012 -6.933 -5.400 1.00 0.42 C ATOM 1196 CG LYS A 76 16.438 -7.497 -5.661 1.00 0.52 C ATOM 1197 CD LYS A 76 16.304 -9.038 -5.770 1.00 0.34 C ATOM 1198 CE LYS A 76 17.646 -9.735 -5.913 1.00 0.97 C ATOM 1199 NZ LYS A 76 17.398 -11.180 -5.610 1.00 1.12 N ATOM 0 H LYS A 76 12.680 -6.936 -4.522 1.00 0.31 H new ATOM 0 HA LYS A 76 15.172 -8.191 -3.671 1.00 0.35 H new ATOM 0 HB2 LYS A 76 14.278 -7.406 -6.053 1.00 0.42 H new ATOM 0 HB3 LYS A 76 14.972 -5.862 -5.599 1.00 0.42 H new ATOM 0 HG2 LYS A 76 16.855 -7.081 -6.578 1.00 0.52 H new ATOM 0 HG3 LYS A 76 17.114 -7.225 -4.851 1.00 0.52 H new ATOM 0 HD2 LYS A 76 15.795 -9.418 -4.884 1.00 0.34 H new ATOM 0 HD3 LYS A 76 15.678 -9.284 -6.628 1.00 0.34 H new ATOM 0 HE2 LYS A 76 18.044 -9.611 -6.920 1.00 0.97 H new ATOM 0 HE3 LYS A 76 18.379 -9.313 -5.226 1.00 0.97 H new ATOM 0 HZ1 LYS A 76 17.870 -11.434 -4.718 1.00 1.12 H new ATOM 0 HZ2 LYS A 76 16.375 -11.345 -5.520 1.00 1.12 H new ATOM 0 HZ3 LYS A 76 17.777 -11.766 -6.381 1.00 1.12 H new ATOM 1213 N VAL A 77 14.740 -5.023 -2.927 1.00 0.37 N ATOM 1214 CA VAL A 77 15.317 -4.027 -1.974 1.00 0.33 C ATOM 1215 C VAL A 77 15.214 -4.751 -0.627 1.00 0.27 C ATOM 1216 O VAL A 77 16.150 -4.777 0.141 1.00 0.19 O ATOM 1217 CB VAL A 77 14.477 -2.799 -1.920 1.00 0.31 C ATOM 1218 CG1 VAL A 77 15.007 -1.906 -0.778 1.00 0.33 C ATOM 1219 CG2 VAL A 77 14.613 -2.057 -3.242 1.00 0.32 C ATOM 0 H VAL A 77 13.942 -4.710 -3.481 1.00 0.37 H new ATOM 0 HA VAL A 77 16.325 -3.716 -2.249 1.00 0.33 H new ATOM 0 HB VAL A 77 13.431 -3.052 -1.747 1.00 0.31 H new ATOM 0 HG11 VAL A 77 14.407 -0.998 -0.718 1.00 0.33 H new ATOM 0 HG12 VAL A 77 14.943 -2.447 0.166 1.00 0.33 H new ATOM 0 HG13 VAL A 77 16.046 -1.642 -0.975 1.00 0.33 H new ATOM 0 HG21 VAL A 77 14.003 -1.154 -3.217 1.00 0.32 H new ATOM 0 HG22 VAL A 77 15.657 -1.785 -3.401 1.00 0.32 H new ATOM 0 HG23 VAL A 77 14.277 -2.700 -4.056 1.00 0.32 H new ATOM 1229 N GLU A 78 14.073 -5.334 -0.363 1.00 0.31 N ATOM 1230 CA GLU A 78 13.885 -6.062 0.905 1.00 0.31 C ATOM 1231 C GLU A 78 15.048 -7.050 1.084 1.00 0.33 C ATOM 1232 O GLU A 78 15.620 -7.144 2.155 1.00 0.37 O ATOM 1233 CB GLU A 78 12.498 -6.754 0.841 1.00 0.33 C ATOM 1234 CG GLU A 78 11.630 -6.276 2.055 1.00 0.21 C ATOM 1235 CD GLU A 78 12.294 -6.760 3.328 1.00 1.18 C ATOM 1236 OE1 GLU A 78 13.289 -6.190 3.738 1.00 1.56 O ATOM 1237 OE2 GLU A 78 11.804 -7.729 3.871 1.00 2.14 O ATOM 0 H GLU A 78 13.263 -5.331 -0.983 1.00 0.31 H new ATOM 0 HA GLU A 78 13.896 -5.403 1.773 1.00 0.31 H new ATOM 0 HB2 GLU A 78 11.999 -6.510 -0.097 1.00 0.33 H new ATOM 0 HB3 GLU A 78 12.617 -7.837 0.867 1.00 0.33 H new ATOM 0 HG2 GLU A 78 11.547 -5.189 2.059 1.00 0.21 H new ATOM 0 HG3 GLU A 78 10.618 -6.673 1.979 1.00 0.21 H new ATOM 1244 N GLU A 79 15.382 -7.789 0.061 1.00 0.41 N ATOM 1245 CA GLU A 79 16.520 -8.756 0.167 1.00 0.43 C ATOM 1246 C GLU A 79 17.742 -7.919 0.633 1.00 0.33 C ATOM 1247 O GLU A 79 18.374 -8.204 1.627 1.00 0.38 O ATOM 1248 CB GLU A 79 16.804 -9.390 -1.210 1.00 0.48 C ATOM 1249 CG GLU A 79 15.700 -10.412 -1.666 1.00 0.74 C ATOM 1250 CD GLU A 79 16.169 -11.160 -2.929 1.00 1.48 C ATOM 1251 OE1 GLU A 79 17.333 -11.530 -2.995 1.00 1.47 O ATOM 1252 OE2 GLU A 79 15.368 -11.357 -3.818 1.00 2.61 O ATOM 0 H GLU A 79 14.917 -7.767 -0.847 1.00 0.41 H new ATOM 0 HA GLU A 79 16.299 -9.566 0.862 1.00 0.43 H new ATOM 0 HB2 GLU A 79 16.887 -8.599 -1.956 1.00 0.48 H new ATOM 0 HB3 GLU A 79 17.768 -9.898 -1.176 1.00 0.48 H new ATOM 0 HG2 GLU A 79 15.497 -11.123 -0.865 1.00 0.74 H new ATOM 0 HG3 GLU A 79 14.767 -9.886 -1.869 1.00 0.74 H new ATOM 1259 N LEU A 80 18.064 -6.888 -0.106 1.00 0.23 N ATOM 1260 CA LEU A 80 19.225 -6.009 0.268 1.00 0.13 C ATOM 1261 C LEU A 80 19.248 -5.552 1.698 1.00 0.12 C ATOM 1262 O LEU A 80 20.221 -5.689 2.413 1.00 0.13 O ATOM 1263 CB LEU A 80 19.211 -4.785 -0.623 1.00 0.14 C ATOM 1264 CG LEU A 80 19.741 -5.169 -1.971 1.00 0.28 C ATOM 1265 CD1 LEU A 80 19.766 -3.912 -2.818 1.00 0.40 C ATOM 1266 CD2 LEU A 80 21.149 -5.782 -1.735 1.00 0.53 C ATOM 0 H LEU A 80 17.574 -6.612 -0.957 1.00 0.23 H new ATOM 0 HA LEU A 80 20.116 -6.623 0.134 1.00 0.13 H new ATOM 0 HB2 LEU A 80 18.198 -4.394 -0.712 1.00 0.14 H new ATOM 0 HB3 LEU A 80 19.821 -3.993 -0.188 1.00 0.14 H new ATOM 0 HG LEU A 80 19.134 -5.906 -2.497 1.00 0.28 H new ATOM 0 HD11 LEU A 80 20.147 -4.150 -3.811 1.00 0.40 H new ATOM 0 HD12 LEU A 80 18.756 -3.511 -2.904 1.00 0.40 H new ATOM 0 HD13 LEU A 80 20.413 -3.170 -2.349 1.00 0.40 H new ATOM 0 HD21 LEU A 80 21.581 -6.080 -2.690 1.00 0.53 H new ATOM 0 HD22 LEU A 80 21.793 -5.042 -1.260 1.00 0.53 H new ATOM 0 HD23 LEU A 80 21.062 -6.655 -1.088 1.00 0.53 H new ATOM 1278 N LYS A 81 18.122 -5.001 2.022 1.00 0.17 N ATOM 1279 CA LYS A 81 17.816 -4.446 3.368 1.00 0.25 C ATOM 1280 C LYS A 81 18.278 -5.425 4.415 1.00 0.50 C ATOM 1281 O LYS A 81 18.748 -5.016 5.450 1.00 0.63 O ATOM 1282 CB LYS A 81 16.306 -4.231 3.492 1.00 0.35 C ATOM 1283 CG LYS A 81 15.997 -3.425 4.769 1.00 0.44 C ATOM 1284 CD LYS A 81 14.475 -3.229 5.029 1.00 0.60 C ATOM 1285 CE LYS A 81 14.283 -2.634 6.445 1.00 0.47 C ATOM 1286 NZ LYS A 81 14.818 -1.227 6.527 1.00 1.18 N ATOM 0 H LYS A 81 17.348 -4.906 1.364 1.00 0.17 H new ATOM 0 HA LYS A 81 18.328 -3.494 3.507 1.00 0.25 H new ATOM 0 HB2 LYS A 81 15.932 -3.700 2.616 1.00 0.35 H new ATOM 0 HB3 LYS A 81 15.794 -5.193 3.525 1.00 0.35 H new ATOM 0 HG2 LYS A 81 16.441 -3.933 5.625 1.00 0.44 H new ATOM 0 HG3 LYS A 81 16.473 -2.447 4.696 1.00 0.44 H new ATOM 0 HD2 LYS A 81 14.047 -2.564 4.279 1.00 0.60 H new ATOM 0 HD3 LYS A 81 13.952 -4.182 4.946 1.00 0.60 H new ATOM 0 HE2 LYS A 81 13.224 -2.638 6.702 1.00 0.47 H new ATOM 0 HE3 LYS A 81 14.791 -3.262 7.177 1.00 0.47 H new ATOM 0 HZ1 LYS A 81 14.250 -0.679 7.204 1.00 1.18 H new ATOM 0 HZ2 LYS A 81 15.808 -1.250 6.844 1.00 1.18 H new ATOM 0 HZ3 LYS A 81 14.765 -0.780 5.589 1.00 1.18 H new ATOM 1300 N LYS A 82 18.131 -6.676 4.110 1.00 0.56 N ATOM 1301 CA LYS A 82 18.539 -7.734 5.044 1.00 0.69 C ATOM 1302 C LYS A 82 19.970 -8.174 4.800 1.00 0.73 C ATOM 1303 O LYS A 82 20.756 -8.269 5.715 1.00 0.81 O ATOM 1304 CB LYS A 82 17.502 -8.837 4.871 1.00 0.81 C ATOM 1305 CG LYS A 82 16.146 -8.177 5.331 1.00 1.03 C ATOM 1306 CD LYS A 82 14.992 -9.195 5.551 1.00 1.27 C ATOM 1307 CE LYS A 82 14.570 -9.874 4.256 1.00 1.27 C ATOM 1308 NZ LYS A 82 14.078 -8.825 3.316 1.00 1.52 N ATOM 0 H LYS A 82 17.736 -7.011 3.231 1.00 0.56 H new ATOM 0 HA LYS A 82 18.556 -7.399 6.081 1.00 0.69 H new ATOM 0 HB2 LYS A 82 17.449 -9.173 3.836 1.00 0.81 H new ATOM 0 HB3 LYS A 82 17.745 -9.709 5.478 1.00 0.81 H new ATOM 0 HG2 LYS A 82 16.316 -7.630 6.258 1.00 1.03 H new ATOM 0 HG3 LYS A 82 15.836 -7.448 4.583 1.00 1.03 H new ATOM 0 HD2 LYS A 82 15.309 -9.951 6.269 1.00 1.27 H new ATOM 0 HD3 LYS A 82 14.135 -8.681 5.986 1.00 1.27 H new ATOM 0 HE2 LYS A 82 15.411 -10.412 3.818 1.00 1.27 H new ATOM 0 HE3 LYS A 82 13.788 -10.608 4.449 1.00 1.27 H new ATOM 0 HZ1 LYS A 82 14.277 -9.115 2.337 1.00 1.52 H new ATOM 0 HZ2 LYS A 82 13.053 -8.702 3.439 1.00 1.52 H new ATOM 0 HZ3 LYS A 82 14.561 -7.926 3.516 1.00 1.52 H new ATOM 1322 N LYS A 83 20.275 -8.449 3.571 1.00 0.64 N ATOM 1323 CA LYS A 83 21.648 -8.883 3.142 1.00 0.66 C ATOM 1324 C LYS A 83 22.673 -8.016 3.866 1.00 0.83 C ATOM 1325 O LYS A 83 23.621 -8.480 4.467 1.00 1.03 O ATOM 1326 CB LYS A 83 21.757 -8.689 1.637 1.00 0.36 C ATOM 1327 CG LYS A 83 20.988 -9.803 0.951 1.00 0.40 C ATOM 1328 CD LYS A 83 20.590 -9.399 -0.486 1.00 0.33 C ATOM 1329 CE LYS A 83 20.140 -10.702 -1.178 1.00 0.46 C ATOM 1330 NZ LYS A 83 21.352 -11.573 -1.384 1.00 1.18 N ATOM 0 H LYS A 83 19.605 -8.391 2.804 1.00 0.64 H new ATOM 0 HA LYS A 83 21.829 -9.930 3.386 1.00 0.66 H new ATOM 0 HB2 LYS A 83 21.354 -7.718 1.350 1.00 0.36 H new ATOM 0 HB3 LYS A 83 22.802 -8.704 1.328 1.00 0.36 H new ATOM 0 HG2 LYS A 83 21.597 -10.706 0.923 1.00 0.40 H new ATOM 0 HG3 LYS A 83 20.093 -10.040 1.527 1.00 0.40 H new ATOM 0 HD2 LYS A 83 19.786 -8.663 -0.477 1.00 0.33 H new ATOM 0 HD3 LYS A 83 21.431 -8.947 -1.012 1.00 0.33 H new ATOM 0 HE2 LYS A 83 19.400 -11.220 -0.568 1.00 0.46 H new ATOM 0 HE3 LYS A 83 19.666 -10.480 -2.134 1.00 0.46 H new ATOM 0 HZ1 LYS A 83 21.171 -12.242 -2.159 1.00 1.18 H new ATOM 0 HZ2 LYS A 83 22.170 -10.978 -1.624 1.00 1.18 H new ATOM 0 HZ3 LYS A 83 21.552 -12.101 -0.511 1.00 1.18 H new ATOM 1344 N TYR A 84 22.382 -6.755 3.739 1.00 0.79 N ATOM 1345 CA TYR A 84 23.238 -5.721 4.373 1.00 1.01 C ATOM 1346 C TYR A 84 22.695 -5.422 5.792 1.00 1.33 C ATOM 1347 O TYR A 84 23.524 -5.377 6.681 1.00 1.55 O ATOM 1348 CB TYR A 84 23.249 -4.523 3.314 1.00 1.03 C ATOM 1349 CG TYR A 84 23.838 -5.260 2.094 1.00 0.78 C ATOM 1350 CD1 TYR A 84 25.191 -5.528 2.089 1.00 1.77 C ATOM 1351 CD2 TYR A 84 23.062 -5.754 1.049 1.00 1.60 C ATOM 1352 CE1 TYR A 84 25.749 -6.280 1.077 1.00 1.85 C ATOM 1353 CE2 TYR A 84 23.628 -6.503 0.062 1.00 1.39 C ATOM 1354 CZ TYR A 84 24.967 -6.768 0.065 1.00 0.58 C ATOM 1355 OH TYR A 84 25.524 -7.521 -0.943 1.00 0.64 O ATOM 0 H TYR A 84 21.582 -6.394 3.219 1.00 0.79 H new ATOM 0 HA TYR A 84 24.274 -5.998 4.568 1.00 1.01 H new ATOM 0 HB2 TYR A 84 22.252 -4.126 3.121 1.00 1.03 H new ATOM 0 HB3 TYR A 84 23.869 -3.686 3.636 1.00 1.03 H new ATOM 0 HD1 TYR A 84 25.817 -5.147 2.882 1.00 1.77 H new ATOM 0 HD2 TYR A 84 22.003 -5.542 1.021 1.00 1.60 H new ATOM 0 HE1 TYR A 84 26.809 -6.485 1.083 1.00 1.85 H new ATOM 0 HE2 TYR A 84 23.009 -6.892 -0.733 1.00 1.39 H new ATOM 0 HH TYR A 84 24.835 -7.746 -1.602 1.00 0.64 H new ATOM 1365 N GLY A 85 21.413 -5.217 6.032 1.00 1.38 N ATOM 1366 CA GLY A 85 21.010 -4.950 7.479 1.00 1.75 C ATOM 1367 C GLY A 85 20.737 -3.490 7.766 1.00 1.56 C ATOM 1368 O GLY A 85 21.426 -2.825 8.519 1.00 1.75 O ATOM 0 H GLY A 85 20.662 -5.220 5.342 1.00 1.38 H new ATOM 0 HA2 GLY A 85 20.119 -5.532 7.714 1.00 1.75 H new ATOM 0 HA3 GLY A 85 21.803 -5.301 8.140 1.00 1.75 H new ATOM 1372 N ILE A 86 19.712 -3.050 7.102 1.00 1.22 N ATOM 1373 CA ILE A 86 19.184 -1.682 7.149 1.00 0.99 C ATOM 1374 C ILE A 86 17.697 -1.542 7.570 1.00 0.87 C ATOM 1375 O ILE A 86 17.029 -2.552 7.688 1.00 1.61 O ATOM 1376 CB ILE A 86 19.533 -1.134 5.713 1.00 1.06 C ATOM 1377 CG1 ILE A 86 18.285 -0.780 4.864 1.00 1.26 C ATOM 1378 CG2 ILE A 86 20.536 -2.036 4.919 1.00 1.60 C ATOM 1379 CD1 ILE A 86 18.218 0.706 4.484 1.00 1.33 C ATOM 1380 OXT ILE A 86 17.271 -0.409 7.748 1.00 0.64 O ATOM 0 H ILE A 86 19.179 -3.652 6.474 1.00 1.22 H new ATOM 0 HA ILE A 86 19.633 -1.093 7.949 1.00 0.99 H new ATOM 0 HB ILE A 86 20.053 -0.196 5.907 1.00 1.06 H new ATOM 0 HG12 ILE A 86 18.288 -1.382 3.955 1.00 1.26 H new ATOM 0 HG13 ILE A 86 17.387 -1.048 5.420 1.00 1.26 H new ATOM 0 HG21 ILE A 86 20.727 -1.594 3.941 1.00 1.60 H new ATOM 0 HG22 ILE A 86 21.472 -2.113 5.472 1.00 1.60 H new ATOM 0 HG23 ILE A 86 20.108 -3.030 4.790 1.00 1.60 H new ATOM 0 HD11 ILE A 86 17.322 0.890 3.891 1.00 1.33 H new ATOM 0 HD12 ILE A 86 18.184 1.312 5.389 1.00 1.33 H new ATOM 0 HD13 ILE A 86 19.100 0.973 3.902 1.00 1.33 H new TER 1392 ILE A 86 HETATM 1393 N1A COA A 87 16.761 2.306 -6.434 1.00 0.14 N HETATM 1394 C2A COA A 87 17.315 1.888 -7.568 1.00 0.10 C HETATM 1395 N3A COA A 87 18.019 2.562 -8.461 1.00 0.06 N HETATM 1396 C4A COA A 87 18.148 3.850 -8.091 1.00 0.09 C HETATM 1397 C5A COA A 87 17.648 4.431 -6.967 1.00 0.13 C HETATM 1398 C6A COA A 87 16.922 3.596 -6.111 1.00 0.15 C HETATM 1399 N6A COA A 87 16.399 4.048 -4.985 1.00 0.25 N HETATM 1400 N7A COA A 87 18.008 5.773 -6.916 1.00 0.18 N HETATM 1401 C8A COA A 87 18.713 5.943 -8.008 1.00 0.19 C HETATM 1402 N9A COA A 87 18.832 4.808 -8.766 1.00 0.12 N HETATM 1403 C1B COA A 87 19.537 4.575 -10.034 1.00 0.14 C HETATM 1404 C2B COA A 87 19.792 5.807 -10.886 1.00 0.22 C HETATM 1405 O2B COA A 87 18.929 5.793 -12.035 1.00 0.39 O HETATM 1406 C3B COA A 87 21.247 5.620 -11.304 1.00 0.11 C HETATM 1407 O3B COA A 87 21.402 4.829 -12.505 1.00 0.31 O HETATM 1408 P3B COA A 87 21.382 5.487 -13.967 1.00 0.30 P HETATM 1409 O7A COA A 87 22.421 4.685 -14.658 1.00 1.61 O HETATM 1410 O8A COA A 87 21.691 6.909 -13.744 1.00 1.71 O HETATM 1411 O9A COA A 87 19.978 5.188 -14.377 1.00 1.30 O HETATM 1412 C4B COA A 87 21.815 4.813 -10.158 1.00 0.06 C HETATM 1413 O4B COA A 87 20.770 4.030 -9.616 1.00 0.12 O HETATM 1414 C5B COA A 87 22.393 5.684 -9.019 1.00 0.13 C HETATM 1415 O5B COA A 87 21.567 6.774 -8.517 1.00 0.26 O HETATM 1416 P1A COA A 87 21.532 8.322 -9.045 1.00 0.98 P HETATM 1417 O1A COA A 87 21.020 8.397 -10.420 1.00 1.99 O HETATM 1418 O2A COA A 87 20.760 9.029 -8.007 1.00 1.40 O HETATM 1419 O3A COA A 87 23.035 8.721 -9.060 1.00 1.05 O HETATM 1420 P2A COA A 87 23.663 9.171 -7.729 1.00 0.90 P HETATM 1421 O4A COA A 87 25.135 9.076 -7.858 1.00 1.11 O HETATM 1422 O5A COA A 87 23.074 10.450 -7.308 1.00 1.53 O HETATM 1423 O6A COA A 87 23.292 8.098 -6.559 1.00 0.53 O HETATM 1424 CBP COA A 87 24.803 6.368 -5.632 1.00 0.92 C HETATM 1425 CCP COA A 87 24.272 7.814 -5.540 1.00 0.99 C HETATM 1426 CDP COA A 87 24.991 5.974 -7.066 1.00 1.18 C HETATM 1427 CEP COA A 87 23.670 5.427 -5.127 1.00 0.66 C HETATM 1428 CAP COA A 87 26.227 6.262 -4.950 1.00 1.08 C HETATM 1429 OAP COA A 87 26.994 7.317 -5.547 1.00 1.57 O HETATM 1430 C9P COA A 87 26.859 4.875 -5.237 1.00 1.41 C HETATM 1431 O9P COA A 87 27.973 4.746 -5.713 1.00 1.94 O HETATM 1432 N8P COA A 87 26.118 3.846 -4.921 1.00 1.34 N HETATM 1433 C7P COA A 87 26.599 2.456 -5.141 1.00 2.10 C HETATM 1434 C6P COA A 87 27.836 2.333 -4.229 1.00 2.09 C HETATM 1435 C5P COA A 87 27.603 3.042 -2.878 1.00 1.20 C HETATM 1436 O5P COA A 87 28.485 3.656 -2.309 1.00 1.92 O HETATM 1437 N4P COA A 87 26.392 2.860 -2.451 1.00 0.89 N HETATM 1438 C3P COA A 87 25.808 3.411 -1.183 1.00 1.31 C HETATM 1439 C2P COA A 87 24.461 4.147 -1.535 1.00 1.72 C HETATM 1440 S1P COA A 87 22.882 3.246 -1.393 1.00 2.43 S HETATM 0 HO2A COA A 87 19.283 5.169 -12.702 1.00 0.39 H new HETATM 0 H62A COA A 87 16.514 5.028 -4.727 1.00 0.25 H new HETATM 0 H61A COA A 87 15.880 3.417 -4.374 1.00 0.25 H new HETATM 0 H52A COA A 87 22.629 5.028 -8.181 1.00 0.13 H new HETATM 0 H51A COA A 87 23.335 6.109 -9.366 1.00 0.13 H new HETATM 0 H143 COA A 87 23.421 5.678 -4.096 1.00 0.66 H new HETATM 0 H142 COA A 87 22.787 5.551 -5.754 1.00 0.66 H new HETATM 0 H141 COA A 87 24.008 4.392 -5.177 1.00 0.66 H new HETATM 0 H133 COA A 87 24.037 6.037 -7.589 1.00 1.18 H new HETATM 0 H132 COA A 87 25.707 6.647 -7.537 1.00 1.18 H new HETATM 0 H131 COA A 87 25.366 4.952 -7.116 1.00 1.18 H new HETATM 0 H122 COA A 87 25.104 8.512 -5.633 1.00 0.99 H new HETATM 0 H121 COA A 87 23.829 7.975 -4.557 1.00 0.99 H new HETATM 0 HO1 COA A 87 27.789 6.940 -5.978 1.00 1.57 H new HETATM 0 HN8 COA A 87 25.194 3.999 -4.517 1.00 1.34 H new HETATM 0 HN4 COA A 87 25.779 2.288 -3.032 1.00 0.89 H new HETATM 0 H8A COA A 87 19.162 6.897 -8.286 1.00 0.19 H new HETATM 0 H72 COA A 87 25.836 1.724 -4.877 1.00 2.10 H new HETATM 0 H71 COA A 87 26.857 2.285 -6.186 1.00 2.10 H new HETATM 0 H62 COA A 87 28.061 1.281 -4.057 1.00 2.09 H new HETATM 0 H61 COA A 87 28.703 2.767 -4.726 1.00 2.09 H new HETATM 0 H4B COA A 87 22.633 4.213 -10.558 1.00 0.06 H new HETATM 0 H3B COA A 87 21.720 6.581 -11.506 1.00 0.11 H new HETATM 0 H32 COA A 87 25.626 2.608 -0.469 1.00 1.31 H new HETATM 0 H31 COA A 87 26.507 4.103 -0.713 1.00 1.31 H new HETATM 0 H2B COA A 87 19.606 6.751 -10.373 1.00 0.22 H new HETATM 0 H2A COA A 87 17.167 0.832 -7.795 1.00 0.10 H new HETATM 0 H22 COA A 87 24.393 5.027 -0.896 1.00 1.72 H new HETATM 0 H21 COA A 87 24.542 4.504 -2.562 1.00 1.72 H new HETATM 0 H1B COA A 87 18.929 3.944 -10.682 1.00 0.14 H new HETATM 0 H10 COA A 87 26.183 6.359 -3.865 1.00 1.08 H new HETATM 1472 C1 PLM A 88 22.355 2.906 -3.101 1.00 1.71 C HETATM 1473 O2 PLM A 88 21.332 3.284 -3.643 1.00 2.57 O HETATM 1474 C2 PLM A 88 23.365 2.050 -3.834 1.00 0.50 C HETATM 1475 C3 PLM A 88 23.003 0.596 -3.870 1.00 0.32 C HETATM 1476 C4 PLM A 88 21.707 0.396 -4.692 1.00 0.51 C HETATM 1477 C5 PLM A 88 21.629 1.019 -6.047 1.00 0.52 C HETATM 1478 C6 PLM A 88 20.223 0.585 -6.506 1.00 0.71 C HETATM 1479 C7 PLM A 88 20.406 0.075 -7.875 1.00 0.31 C HETATM 1480 C8 PLM A 88 20.706 1.317 -8.769 1.00 0.58 C HETATM 1481 C9 PLM A 88 22.136 1.302 -9.317 1.00 0.76 C HETATM 1482 CA PLM A 88 22.173 0.425 -10.550 1.00 0.88 C HETATM 1483 CB PLM A 88 21.766 -1.049 -10.177 1.00 2.06 C HETATM 1484 CC PLM A 88 21.794 -1.971 -11.401 1.00 2.14 C HETATM 1485 CD PLM A 88 23.124 -2.686 -11.550 1.00 1.32 C HETATM 1486 CE PLM A 88 24.238 -1.811 -11.215 1.00 0.50 C HETATM 1487 CF PLM A 88 25.595 -2.318 -11.773 1.00 0.52 C HETATM 1488 CG PLM A 88 25.756 -3.759 -11.693 1.00 0.38 C HETATM 0 HG3 PLM A 88 25.695 -4.075 -10.651 1.00 0.38 H new HETATM 0 HG2 PLM A 88 24.967 -4.246 -12.266 1.00 0.38 H new HETATM 0 HG1 PLM A 88 26.727 -4.040 -12.101 1.00 0.38 H new HETATM 0 HF2 PLM A 88 25.689 -2.008 -12.814 1.00 0.52 H new HETATM 0 HF1 PLM A 88 26.406 -1.839 -11.223 1.00 0.52 H new HETATM 0 HE2 PLM A 88 24.040 -0.813 -11.607 1.00 0.50 H new HETATM 0 HE1 PLM A 88 24.308 -1.720 -10.131 1.00 0.50 H new HETATM 0 HD2 PLM A 88 23.141 -3.563 -10.904 1.00 1.32 H new HETATM 0 HD1 PLM A 88 23.234 -3.042 -12.574 1.00 1.32 H new HETATM 0 HC2 PLM A 88 20.995 -2.708 -11.317 1.00 2.14 H new HETATM 0 HC1 PLM A 88 21.595 -1.386 -12.299 1.00 2.14 H new HETATM 0 HB2 PLM A 88 22.446 -1.433 -9.416 1.00 2.06 H new HETATM 0 HB1 PLM A 88 20.767 -1.052 -9.742 1.00 2.06 H new HETATM 0 HA2 PLM A 88 21.493 0.818 -11.306 1.00 0.88 H new HETATM 0 HA1 PLM A 88 23.173 0.436 -10.984 1.00 0.88 H new HETATM 0 H92 PLM A 88 22.457 2.314 -9.563 1.00 0.76 H new HETATM 0 H91 PLM A 88 22.826 0.923 -8.563 1.00 0.76 H new HETATM 0 H82 PLM A 88 20.001 1.344 -9.599 1.00 0.58 H new HETATM 0 H81 PLM A 88 20.550 2.227 -8.189 1.00 0.58 H new HETATM 0 H72 PLM A 88 21.227 -0.641 -7.917 1.00 0.31 H new HETATM 0 H71 PLM A 88 19.512 -0.445 -8.219 1.00 0.31 H new HETATM 0 H62 PLM A 88 19.814 -0.184 -5.850 1.00 0.71 H new HETATM 0 H61 PLM A 88 19.526 1.423 -6.487 1.00 0.71 H new HETATM 0 H52 PLM A 88 21.730 2.104 -6.006 1.00 0.52 H new HETATM 0 H51 PLM A 88 22.409 0.651 -6.713 1.00 0.52 H new HETATM 0 H42 PLM A 88 21.548 -0.676 -4.809 1.00 0.51 H new HETATM 0 H41 PLM A 88 20.875 0.779 -4.101 1.00 0.51 H new HETATM 0 H32 PLM A 88 23.817 0.021 -4.312 1.00 0.32 H new HETATM 0 H31 PLM A 88 22.862 0.222 -2.856 1.00 0.32 H new HETATM 0 H22 PLM A 88 23.466 2.416 -4.856 1.00 0.50 H new HETATM 0 H21 PLM A 88 24.339 2.162 -3.357 1.00 0.50 H new