USER MOD reduce.3.24.130724 H: found=0, std=0, add=896, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 811 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 38 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.475) USER MOD Set 1.2: A 79 SER OG : rot -150:sc= 0 USER MOD Set 2.1: A 72 ASN : amide:sc= -0.799 K(o=-6.1,f=-17!) USER MOD Set 2.2: A 75 LYS NZ :NH3+ -157:sc= -0.0667! (180deg=-0.507) USER MOD Set 2.3: P 600 A O5' : rot 131:sc= -5.19! USER MOD Set 3.1: A 59 ASN : amide:sc= -3.07! C(o=-3.1!,f=-11!) USER MOD Set 3.2: A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -1.56! K(o=-1.6!,f=-0.06) USER MOD Single : A 10 LYS NZ :NH3+ -166:sc= 0.764 (180deg=0.593) USER MOD Single : A 16 SER OG : rot -81:sc= 0.346 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 170:sc= 0.884 (180deg=0.288) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0.518 K(o=0.52,f=-3.6!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl 164:sc= -0.0409 (180deg=-0.37) USER MOD Single : A 46 THR OG1 : rot -132:sc= -2.12 USER MOD Single : A 51 GLN : amide:sc= -0.129 K(o=-0.13,f=-0.99) USER MOD Single : A 52 ASN : amide:sc= -1.84! K(o=-1.8!,f=-0.087) USER MOD Single : A 58 MET CE :methyl 167:sc= -7.99! (180deg=-8.83!) USER MOD Single : A 65 THR OG1 : rot -144:sc= 0.122 USER MOD Single : A 76 ASN : amide:sc= -3.3! C(o=-3.3!,f=-7.7!) USER MOD Single : A 77 THR OG1 : rot 100:sc= -0.059 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 1.09 (180deg=1.09) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -2.14! K(o=-2.1!,f=-0.072) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.121) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -0.303 K(o=-0.3,f=-1) USER MOD Single : A 100 LYS NZ :NH3+ 157:sc= -1.07! (180deg=-3.03!) USER MOD Single : A 101 LYS NZ :NH3+ -168:sc= -0.0146 (180deg=-0.22) USER MOD Single : P 600 A O2' : rot -24:sc= 1.19 USER MOD Single : P 601 U O2' : rot 48:sc= -3.1! USER MOD Single : P 602 C O2' : rot -18:sc= 0.103 USER MOD Single : P 603 G O2' : rot 144:sc= 0.729 USER MOD Single : P 603 G O3' : rot 132:sc= 0.202 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 26.841 11.668 -6.360 1.00 9.19 N ATOM 2 CA GLY A 1 26.046 10.949 -5.336 1.00 8.58 C ATOM 3 C GLY A 1 26.120 11.637 -3.991 1.00 7.80 C ATOM 4 O GLY A 1 26.610 11.065 -3.017 1.00 7.71 O ATOM 0 H1 GLY A 1 26.768 11.169 -7.270 1.00 9.19 H new ATOM 0 H2 GLY A 1 26.476 12.636 -6.466 1.00 9.19 H new ATOM 0 H3 GLY A 1 27.837 11.704 -6.064 1.00 9.19 H new ATOM 0 HA2 GLY A 1 25.006 10.888 -5.658 1.00 8.58 H new ATOM 0 HA3 GLY A 1 26.411 9.926 -5.243 1.00 8.58 H new ATOM 10 N ALA A 2 25.629 12.865 -3.937 1.00 7.48 N ATOM 11 CA ALA A 2 25.701 13.667 -2.727 1.00 7.04 C ATOM 12 C ALA A 2 24.445 13.507 -1.886 1.00 6.14 C ATOM 13 O ALA A 2 24.526 13.240 -0.687 1.00 6.32 O ATOM 14 CB ALA A 2 25.914 15.131 -3.076 1.00 7.69 C ATOM 0 H ALA A 2 25.174 13.330 -4.723 1.00 7.48 H new ATOM 0 HA ALA A 2 26.549 13.314 -2.140 1.00 7.04 H new ATOM 0 HB1 ALA A 2 25.966 15.720 -2.160 1.00 7.69 H new ATOM 0 HB2 ALA A 2 26.846 15.241 -3.631 1.00 7.69 H new ATOM 0 HB3 ALA A 2 25.083 15.484 -3.687 1.00 7.69 H new ATOM 20 N MET A 3 23.290 13.651 -2.517 1.00 5.50 N ATOM 21 CA MET A 3 22.023 13.619 -1.800 1.00 4.93 C ATOM 22 C MET A 3 20.873 13.304 -2.746 1.00 4.41 C ATOM 23 O MET A 3 21.009 13.399 -3.968 1.00 4.80 O ATOM 24 CB MET A 3 21.763 14.961 -1.107 1.00 5.01 C ATOM 25 CG MET A 3 21.624 16.125 -2.074 1.00 5.59 C ATOM 26 SD MET A 3 21.257 17.680 -1.243 1.00 6.31 S ATOM 27 CE MET A 3 21.207 18.797 -2.642 1.00 7.18 C ATOM 0 H MET A 3 23.203 13.791 -3.524 1.00 5.50 H new ATOM 0 HA MET A 3 22.086 12.833 -1.047 1.00 4.93 H new ATOM 0 HB2 MET A 3 20.854 14.883 -0.511 1.00 5.01 H new ATOM 0 HB3 MET A 3 22.580 15.168 -0.416 1.00 5.01 H new ATOM 0 HG2 MET A 3 22.548 16.231 -2.643 1.00 5.59 H new ATOM 0 HG3 MET A 3 20.832 15.905 -2.790 1.00 5.59 H new ATOM 0 HE1 MET A 3 20.989 19.807 -2.294 1.00 7.18 H new ATOM 0 HE2 MET A 3 22.172 18.788 -3.149 1.00 7.18 H new ATOM 0 HE3 MET A 3 20.430 18.477 -3.336 1.00 7.18 H new ATOM 37 N ALA A 4 19.745 12.933 -2.170 1.00 3.93 N ATOM 38 CA ALA A 4 18.543 12.663 -2.934 1.00 3.66 C ATOM 39 C ALA A 4 17.368 13.416 -2.332 1.00 2.48 C ATOM 40 O ALA A 4 16.847 13.034 -1.284 1.00 2.71 O ATOM 41 CB ALA A 4 18.260 11.166 -2.974 1.00 4.50 C ATOM 0 H ALA A 4 19.637 12.811 -1.163 1.00 3.93 H new ATOM 0 HA ALA A 4 18.691 13.006 -3.958 1.00 3.66 H new ATOM 0 HB1 ALA A 4 17.354 10.982 -3.552 1.00 4.50 H new ATOM 0 HB2 ALA A 4 19.099 10.649 -3.440 1.00 4.50 H new ATOM 0 HB3 ALA A 4 18.124 10.794 -1.958 1.00 4.50 H new ATOM 47 N GLU A 5 16.978 14.505 -2.976 1.00 1.79 N ATOM 48 CA GLU A 5 15.844 15.295 -2.523 1.00 1.17 C ATOM 49 C GLU A 5 14.556 14.696 -3.067 1.00 0.99 C ATOM 50 O GLU A 5 14.051 15.101 -4.116 1.00 1.09 O ATOM 51 CB GLU A 5 15.998 16.754 -2.955 1.00 2.11 C ATOM 52 CG GLU A 5 17.271 17.396 -2.431 1.00 2.74 C ATOM 53 CD GLU A 5 17.389 18.860 -2.800 1.00 3.36 C ATOM 54 OE1 GLU A 5 16.901 19.713 -2.033 1.00 4.10 O ATOM 55 OE2 GLU A 5 17.956 19.162 -3.871 1.00 3.44 O ATOM 0 H GLU A 5 17.432 14.863 -3.817 1.00 1.79 H new ATOM 0 HA GLU A 5 15.806 15.276 -1.434 1.00 1.17 H new ATOM 0 HB2 GLU A 5 15.992 16.808 -4.044 1.00 2.11 H new ATOM 0 HB3 GLU A 5 15.138 17.324 -2.603 1.00 2.11 H new ATOM 0 HG2 GLU A 5 17.302 17.297 -1.346 1.00 2.74 H new ATOM 0 HG3 GLU A 5 18.132 16.857 -2.825 1.00 2.74 H new ATOM 62 N ASP A 6 14.041 13.720 -2.337 1.00 0.94 N ATOM 63 CA ASP A 6 12.904 12.932 -2.776 1.00 0.82 C ATOM 64 C ASP A 6 11.595 13.706 -2.639 1.00 0.72 C ATOM 65 O ASP A 6 11.085 13.924 -1.542 1.00 0.76 O ATOM 66 CB ASP A 6 12.850 11.605 -1.997 1.00 0.88 C ATOM 67 CG ASP A 6 12.765 11.788 -0.489 1.00 1.03 C ATOM 68 OD1 ASP A 6 11.777 11.321 0.110 1.00 1.40 O ATOM 69 OD2 ASP A 6 13.690 12.394 0.099 1.00 1.79 O ATOM 0 H ASP A 6 14.402 13.452 -1.421 1.00 0.94 H new ATOM 0 HA ASP A 6 13.033 12.710 -3.835 1.00 0.82 H new ATOM 0 HB2 ASP A 6 11.988 11.030 -2.334 1.00 0.88 H new ATOM 0 HB3 ASP A 6 13.737 11.018 -2.234 1.00 0.88 H new ATOM 74 N SER A 7 11.076 14.150 -3.772 1.00 0.68 N ATOM 75 CA SER A 7 9.786 14.815 -3.820 1.00 0.67 C ATOM 76 C SER A 7 8.675 13.768 -3.784 1.00 0.53 C ATOM 77 O SER A 7 8.699 12.825 -4.570 1.00 0.46 O ATOM 78 CB SER A 7 9.692 15.662 -5.089 1.00 0.77 C ATOM 79 OG SER A 7 10.808 16.535 -5.191 1.00 1.33 O ATOM 0 H SER A 7 11.534 14.060 -4.679 1.00 0.68 H new ATOM 0 HA SER A 7 9.675 15.472 -2.958 1.00 0.67 H new ATOM 0 HB2 SER A 7 9.650 15.013 -5.964 1.00 0.77 H new ATOM 0 HB3 SER A 7 8.769 16.242 -5.078 1.00 0.77 H new ATOM 0 HG SER A 7 10.732 17.068 -6.010 1.00 1.33 H new ATOM 85 N GLN A 8 7.726 13.929 -2.866 1.00 0.53 N ATOM 86 CA GLN A 8 6.765 12.868 -2.540 1.00 0.47 C ATOM 87 C GLN A 8 6.049 12.288 -3.763 1.00 0.48 C ATOM 88 O GLN A 8 5.921 11.068 -3.879 1.00 0.50 O ATOM 89 CB GLN A 8 5.750 13.359 -1.498 1.00 0.53 C ATOM 90 CG GLN A 8 4.848 14.490 -1.964 1.00 0.86 C ATOM 91 CD GLN A 8 3.994 15.037 -0.835 1.00 1.25 C ATOM 92 OE1 GLN A 8 2.862 15.473 -1.048 1.00 1.88 O ATOM 93 NE2 GLN A 8 4.541 15.030 0.374 1.00 1.57 N ATOM 0 H GLN A 8 7.598 14.787 -2.330 1.00 0.53 H new ATOM 0 HA GLN A 8 7.349 12.050 -2.119 1.00 0.47 H new ATOM 0 HB2 GLN A 8 5.126 12.518 -1.196 1.00 0.53 H new ATOM 0 HB3 GLN A 8 6.292 13.688 -0.612 1.00 0.53 H new ATOM 0 HG2 GLN A 8 5.458 15.293 -2.379 1.00 0.86 H new ATOM 0 HG3 GLN A 8 4.203 14.132 -2.766 1.00 0.86 H new ATOM 0 HE21 GLN A 8 5.482 14.659 0.506 1.00 1.57 H new ATOM 0 HE22 GLN A 8 4.020 15.395 1.171 1.00 1.57 H new ATOM 102 N GLU A 9 5.607 13.138 -4.682 1.00 0.54 N ATOM 103 CA GLU A 9 4.882 12.672 -5.861 1.00 0.59 C ATOM 104 C GLU A 9 5.832 11.952 -6.816 1.00 0.51 C ATOM 105 O GLU A 9 5.462 10.974 -7.463 1.00 0.50 O ATOM 106 CB GLU A 9 4.201 13.847 -6.564 1.00 0.73 C ATOM 107 CG GLU A 9 3.351 13.445 -7.758 1.00 1.34 C ATOM 108 CD GLU A 9 2.696 14.632 -8.427 1.00 1.57 C ATOM 109 OE1 GLU A 9 1.576 15.008 -8.022 1.00 1.45 O ATOM 110 OE2 GLU A 9 3.296 15.194 -9.365 1.00 2.17 O ATOM 0 H GLU A 9 5.736 14.149 -4.636 1.00 0.54 H new ATOM 0 HA GLU A 9 4.113 11.968 -5.544 1.00 0.59 H new ATOM 0 HB2 GLU A 9 3.573 14.373 -5.845 1.00 0.73 H new ATOM 0 HB3 GLU A 9 4.965 14.551 -6.895 1.00 0.73 H new ATOM 0 HG2 GLU A 9 3.973 12.921 -8.483 1.00 1.34 H new ATOM 0 HG3 GLU A 9 2.582 12.745 -7.433 1.00 1.34 H new ATOM 117 N LYS A 10 7.063 12.436 -6.874 1.00 0.50 N ATOM 118 CA LYS A 10 8.100 11.807 -7.679 1.00 0.48 C ATOM 119 C LYS A 10 8.421 10.426 -7.115 1.00 0.38 C ATOM 120 O LYS A 10 8.579 9.457 -7.857 1.00 0.38 O ATOM 121 CB LYS A 10 9.353 12.684 -7.686 1.00 0.58 C ATOM 122 CG LYS A 10 10.502 12.140 -8.519 1.00 0.75 C ATOM 123 CD LYS A 10 10.202 12.215 -10.007 1.00 1.63 C ATOM 124 CE LYS A 10 11.409 11.803 -10.839 1.00 2.14 C ATOM 125 NZ LYS A 10 11.731 10.359 -10.685 1.00 2.55 N ATOM 0 H LYS A 10 7.370 13.268 -6.370 1.00 0.50 H new ATOM 0 HA LYS A 10 7.746 11.695 -8.704 1.00 0.48 H new ATOM 0 HB2 LYS A 10 9.086 13.672 -8.060 1.00 0.58 H new ATOM 0 HB3 LYS A 10 9.695 12.814 -6.659 1.00 0.58 H new ATOM 0 HG2 LYS A 10 11.408 12.705 -8.302 1.00 0.75 H new ATOM 0 HG3 LYS A 10 10.697 11.105 -8.239 1.00 0.75 H new ATOM 0 HD2 LYS A 10 9.358 11.567 -10.242 1.00 1.63 H new ATOM 0 HD3 LYS A 10 9.907 13.231 -10.269 1.00 1.63 H new ATOM 0 HE2 LYS A 10 11.215 12.020 -11.889 1.00 2.14 H new ATOM 0 HE3 LYS A 10 12.272 12.400 -10.544 1.00 2.14 H new ATOM 0 HZ1 LYS A 10 12.680 10.172 -11.068 1.00 2.55 H new ATOM 0 HZ2 LYS A 10 11.708 10.104 -9.677 1.00 2.55 H new ATOM 0 HZ3 LYS A 10 11.030 9.790 -11.202 1.00 2.55 H new ATOM 139 N VAL A 11 8.501 10.351 -5.791 1.00 0.34 N ATOM 140 CA VAL A 11 8.726 9.086 -5.101 1.00 0.30 C ATOM 141 C VAL A 11 7.579 8.122 -5.371 1.00 0.27 C ATOM 142 O VAL A 11 7.799 6.944 -5.632 1.00 0.31 O ATOM 143 CB VAL A 11 8.879 9.288 -3.575 1.00 0.31 C ATOM 144 CG1 VAL A 11 9.119 7.962 -2.865 1.00 0.39 C ATOM 145 CG2 VAL A 11 10.004 10.261 -3.279 1.00 0.37 C ATOM 0 H VAL A 11 8.413 11.156 -5.171 1.00 0.34 H new ATOM 0 HA VAL A 11 9.655 8.667 -5.487 1.00 0.30 H new ATOM 0 HB VAL A 11 7.947 9.707 -3.196 1.00 0.31 H new ATOM 0 HG11 VAL A 11 9.223 8.136 -1.794 1.00 0.39 H new ATOM 0 HG12 VAL A 11 8.275 7.295 -3.044 1.00 0.39 H new ATOM 0 HG13 VAL A 11 10.031 7.504 -3.248 1.00 0.39 H new ATOM 0 HG21 VAL A 11 10.098 10.392 -2.201 1.00 0.37 H new ATOM 0 HG22 VAL A 11 10.939 9.869 -3.680 1.00 0.37 H new ATOM 0 HG23 VAL A 11 9.785 11.223 -3.743 1.00 0.37 H new ATOM 149 N ALA A 12 6.357 8.638 -5.324 1.00 0.26 N ATOM 150 CA ALA A 12 5.167 7.839 -5.585 1.00 0.27 C ATOM 151 C ALA A 12 5.231 7.179 -6.960 1.00 0.26 C ATOM 152 O ALA A 12 4.880 6.005 -7.116 1.00 0.31 O ATOM 153 CB ALA A 12 3.924 8.705 -5.464 1.00 0.35 C ATOM 0 H ALA A 12 6.164 9.615 -5.105 1.00 0.26 H new ATOM 0 HA ALA A 12 5.120 7.044 -4.841 1.00 0.27 H new ATOM 0 HB1 ALA A 12 3.039 8.100 -5.661 1.00 0.35 H new ATOM 0 HB2 ALA A 12 3.865 9.118 -4.457 1.00 0.35 H new ATOM 0 HB3 ALA A 12 3.976 9.519 -6.188 1.00 0.35 H new ATOM 159 N ASP A 13 5.696 7.930 -7.953 1.00 0.26 N ATOM 160 CA ASP A 13 5.831 7.405 -9.308 1.00 0.32 C ATOM 161 C ASP A 13 6.914 6.328 -9.357 1.00 0.30 C ATOM 162 O ASP A 13 6.835 5.388 -10.147 1.00 0.42 O ATOM 163 CB ASP A 13 6.153 8.525 -10.298 1.00 0.39 C ATOM 164 CG ASP A 13 6.139 8.038 -11.735 1.00 0.59 C ATOM 165 OD1 ASP A 13 5.061 7.646 -12.222 1.00 0.86 O ATOM 166 OD2 ASP A 13 7.204 8.064 -12.393 1.00 0.67 O ATOM 0 H ASP A 13 5.985 8.902 -7.846 1.00 0.26 H new ATOM 0 HA ASP A 13 4.879 6.959 -9.595 1.00 0.32 H new ATOM 0 HB2 ASP A 13 5.428 9.331 -10.182 1.00 0.39 H new ATOM 0 HB3 ASP A 13 7.133 8.942 -10.067 1.00 0.39 H new ATOM 171 N GLU A 14 7.923 6.464 -8.504 1.00 0.25 N ATOM 172 CA GLU A 14 8.962 5.446 -8.382 1.00 0.35 C ATOM 173 C GLU A 14 8.384 4.146 -7.831 1.00 0.28 C ATOM 174 O GLU A 14 8.591 3.078 -8.407 1.00 0.32 O ATOM 175 CB GLU A 14 10.097 5.924 -7.469 1.00 0.53 C ATOM 176 CG GLU A 14 11.358 6.360 -8.203 1.00 1.18 C ATOM 177 CD GLU A 14 11.183 7.640 -8.995 1.00 1.35 C ATOM 178 OE1 GLU A 14 11.476 8.726 -8.447 1.00 1.53 O ATOM 179 OE2 GLU A 14 10.784 7.564 -10.174 1.00 2.05 O ATOM 0 H GLU A 14 8.044 7.267 -7.887 1.00 0.25 H new ATOM 0 HA GLU A 14 9.362 5.266 -9.380 1.00 0.35 H new ATOM 0 HB2 GLU A 14 9.735 6.758 -6.868 1.00 0.53 H new ATOM 0 HB3 GLU A 14 10.353 5.121 -6.778 1.00 0.53 H new ATOM 0 HG2 GLU A 14 12.162 6.497 -7.479 1.00 1.18 H new ATOM 0 HG3 GLU A 14 11.670 5.563 -8.879 1.00 1.18 H new ATOM 186 N ILE A 15 7.648 4.239 -6.720 1.00 0.22 N ATOM 187 CA ILE A 15 7.105 3.049 -6.065 1.00 0.19 C ATOM 188 C ILE A 15 6.171 2.300 -7.006 1.00 0.17 C ATOM 189 O ILE A 15 6.297 1.091 -7.186 1.00 0.22 O ATOM 190 CB ILE A 15 6.299 3.359 -4.780 1.00 0.21 C ATOM 191 CG1 ILE A 15 6.790 4.617 -4.063 1.00 0.25 C ATOM 192 CG2 ILE A 15 6.374 2.167 -3.836 1.00 0.29 C ATOM 193 CD1 ILE A 15 8.169 4.488 -3.459 1.00 0.33 C ATOM 0 H ILE A 15 7.417 5.119 -6.259 1.00 0.22 H new ATOM 0 HA ILE A 15 7.977 2.453 -5.796 1.00 0.19 H new ATOM 0 HB ILE A 15 5.268 3.545 -5.080 1.00 0.21 H new ATOM 0 HG12 ILE A 15 6.791 5.447 -4.770 1.00 0.25 H new ATOM 0 HG13 ILE A 15 6.082 4.871 -3.274 1.00 0.25 H new ATOM 0 HG21 ILE A 15 5.807 2.384 -2.931 1.00 0.29 H new ATOM 0 HG22 ILE A 15 5.954 1.288 -4.326 1.00 0.29 H new ATOM 0 HG23 ILE A 15 7.415 1.974 -3.575 1.00 0.29 H new ATOM 0 HD11 ILE A 15 8.441 5.423 -2.970 1.00 0.33 H new ATOM 0 HD12 ILE A 15 8.171 3.681 -2.726 1.00 0.33 H new ATOM 0 HD13 ILE A 15 8.891 4.266 -4.245 1.00 0.33 H new ATOM 200 N SER A 16 5.244 3.035 -7.608 1.00 0.18 N ATOM 201 CA SER A 16 4.229 2.455 -8.467 1.00 0.25 C ATOM 202 C SER A 16 4.853 1.684 -9.626 1.00 0.22 C ATOM 203 O SER A 16 4.422 0.577 -9.956 1.00 0.30 O ATOM 204 CB SER A 16 3.329 3.571 -8.986 1.00 0.32 C ATOM 205 OG SER A 16 4.094 4.636 -9.525 1.00 0.30 O ATOM 0 H SER A 16 5.178 4.048 -7.512 1.00 0.18 H new ATOM 0 HA SER A 16 3.640 1.743 -7.889 1.00 0.25 H new ATOM 0 HB2 SER A 16 2.660 3.177 -9.751 1.00 0.32 H new ATOM 0 HB3 SER A 16 2.702 3.943 -8.176 1.00 0.32 H new ATOM 0 HG SER A 16 4.418 5.207 -8.797 1.00 0.30 H new ATOM 211 N PHE A 17 5.880 2.273 -10.220 1.00 0.18 N ATOM 212 CA PHE A 17 6.594 1.655 -11.325 1.00 0.24 C ATOM 213 C PHE A 17 7.280 0.363 -10.884 1.00 0.28 C ATOM 214 O PHE A 17 7.255 -0.641 -11.599 1.00 0.37 O ATOM 215 CB PHE A 17 7.626 2.638 -11.884 1.00 0.29 C ATOM 216 CG PHE A 17 8.539 2.049 -12.920 1.00 0.38 C ATOM 217 CD1 PHE A 17 9.858 1.748 -12.616 1.00 0.39 C ATOM 218 CD2 PHE A 17 8.073 1.791 -14.200 1.00 0.49 C ATOM 219 CE1 PHE A 17 10.694 1.204 -13.572 1.00 0.49 C ATOM 220 CE2 PHE A 17 8.902 1.250 -15.157 1.00 0.59 C ATOM 221 CZ PHE A 17 10.241 0.966 -14.827 1.00 0.58 C ATOM 0 H PHE A 17 6.240 3.189 -9.951 1.00 0.18 H new ATOM 0 HA PHE A 17 5.874 1.403 -12.104 1.00 0.24 H new ATOM 0 HB2 PHE A 17 7.102 3.489 -12.319 1.00 0.29 H new ATOM 0 HB3 PHE A 17 8.229 3.022 -11.061 1.00 0.29 H new ATOM 0 HD1 PHE A 17 10.235 1.941 -11.623 1.00 0.39 H new ATOM 0 HD2 PHE A 17 7.047 2.017 -14.450 1.00 0.49 H new ATOM 0 HE1 PHE A 17 11.716 0.967 -13.317 1.00 0.49 H new ATOM 0 HE2 PHE A 17 8.529 1.046 -16.150 1.00 0.59 H new ATOM 0 HZ PHE A 17 10.907 0.559 -15.574 1.00 0.58 H new ATOM 231 N ARG A 18 7.876 0.390 -9.700 1.00 0.24 N ATOM 232 CA ARG A 18 8.658 -0.740 -9.216 1.00 0.29 C ATOM 233 C ARG A 18 7.770 -1.869 -8.705 1.00 0.28 C ATOM 234 O ARG A 18 8.083 -3.043 -8.897 1.00 0.30 O ATOM 235 CB ARG A 18 9.632 -0.294 -8.120 1.00 0.37 C ATOM 236 CG ARG A 18 10.650 0.731 -8.596 1.00 0.41 C ATOM 237 CD ARG A 18 11.601 1.140 -7.482 1.00 0.57 C ATOM 238 NE ARG A 18 12.477 2.236 -7.895 1.00 1.49 N ATOM 239 CZ ARG A 18 13.490 2.703 -7.165 1.00 1.74 C ATOM 240 NH1 ARG A 18 13.798 2.135 -6.004 1.00 1.26 N ATOM 241 NH2 ARG A 18 14.205 3.732 -7.610 1.00 2.83 N ATOM 0 H ARG A 18 7.833 1.181 -9.057 1.00 0.24 H new ATOM 0 HA ARG A 18 9.228 -1.124 -10.062 1.00 0.29 H new ATOM 0 HB2 ARG A 18 9.065 0.127 -7.290 1.00 0.37 H new ATOM 0 HB3 ARG A 18 10.159 -1.167 -7.736 1.00 0.37 H new ATOM 0 HG2 ARG A 18 11.220 0.318 -9.428 1.00 0.41 H new ATOM 0 HG3 ARG A 18 10.130 1.612 -8.972 1.00 0.41 H new ATOM 0 HD2 ARG A 18 11.027 1.443 -6.606 1.00 0.57 H new ATOM 0 HD3 ARG A 18 12.205 0.283 -7.186 1.00 0.57 H new ATOM 0 HE ARG A 18 12.301 2.671 -8.801 1.00 1.49 H new ATOM 0 HH11 ARG A 18 13.258 1.338 -5.667 1.00 1.26 H new ATOM 0 HH12 ARG A 18 14.574 2.496 -5.449 1.00 1.26 H new ATOM 0 HH21 ARG A 18 13.978 4.161 -8.507 1.00 2.83 H new ATOM 0 HH22 ARG A 18 14.981 4.092 -7.054 1.00 2.83 H new ATOM 255 N LEU A 19 6.663 -1.523 -8.065 1.00 0.27 N ATOM 256 CA LEU A 19 5.772 -2.530 -7.506 1.00 0.25 C ATOM 257 C LEU A 19 4.816 -3.089 -8.552 1.00 0.28 C ATOM 258 O LEU A 19 4.076 -4.037 -8.279 1.00 0.38 O ATOM 259 CB LEU A 19 4.978 -1.962 -6.329 1.00 0.29 C ATOM 260 CG LEU A 19 5.700 -1.985 -4.976 1.00 0.35 C ATOM 261 CD1 LEU A 19 5.935 -3.413 -4.520 1.00 0.99 C ATOM 262 CD2 LEU A 19 7.021 -1.249 -5.049 1.00 0.63 C ATOM 0 H LEU A 19 6.361 -0.560 -7.920 1.00 0.27 H new ATOM 0 HA LEU A 19 6.400 -3.348 -7.153 1.00 0.25 H new ATOM 0 HB2 LEU A 19 4.706 -0.932 -6.559 1.00 0.29 H new ATOM 0 HB3 LEU A 19 4.048 -2.523 -6.235 1.00 0.29 H new ATOM 0 HG LEU A 19 5.060 -1.480 -4.252 1.00 0.35 H new ATOM 0 HD11 LEU A 19 6.448 -3.408 -3.558 1.00 0.99 H new ATOM 0 HD12 LEU A 19 4.978 -3.924 -4.418 1.00 0.99 H new ATOM 0 HD13 LEU A 19 6.548 -3.934 -5.256 1.00 0.99 H new ATOM 0 HD21 LEU A 19 7.510 -1.282 -4.075 1.00 0.63 H new ATOM 0 HD22 LEU A 19 7.661 -1.723 -5.793 1.00 0.63 H new ATOM 0 HD23 LEU A 19 6.844 -0.211 -5.331 1.00 0.63 H new ATOM 274 N GLN A 20 4.858 -2.503 -9.756 1.00 0.25 N ATOM 275 CA GLN A 20 3.889 -2.811 -10.809 1.00 0.28 C ATOM 276 C GLN A 20 2.488 -2.570 -10.270 1.00 0.28 C ATOM 277 O GLN A 20 1.554 -3.330 -10.536 1.00 0.35 O ATOM 278 CB GLN A 20 4.048 -4.251 -11.311 1.00 0.36 C ATOM 279 CG GLN A 20 5.355 -4.498 -12.048 1.00 0.88 C ATOM 280 CD GLN A 20 5.458 -5.911 -12.590 1.00 1.00 C ATOM 281 OE1 GLN A 20 5.029 -6.192 -13.709 1.00 1.36 O ATOM 282 NE2 GLN A 20 6.034 -6.809 -11.806 1.00 1.60 N ATOM 0 H GLN A 20 5.557 -1.810 -10.023 1.00 0.25 H new ATOM 0 HA GLN A 20 4.067 -2.158 -11.664 1.00 0.28 H new ATOM 0 HB2 GLN A 20 3.985 -4.932 -10.462 1.00 0.36 H new ATOM 0 HB3 GLN A 20 3.216 -4.490 -11.974 1.00 0.36 H new ATOM 0 HG2 GLN A 20 5.444 -3.789 -12.871 1.00 0.88 H new ATOM 0 HG3 GLN A 20 6.190 -4.309 -11.373 1.00 0.88 H new ATOM 0 HE21 GLN A 20 6.377 -6.537 -10.885 1.00 1.60 H new ATOM 0 HE22 GLN A 20 6.135 -7.773 -12.123 1.00 1.60 H new ATOM 291 N GLU A 21 2.375 -1.493 -9.507 1.00 0.29 N ATOM 292 CA GLU A 21 1.173 -1.186 -8.741 1.00 0.36 C ATOM 293 C GLU A 21 -0.027 -0.928 -9.650 1.00 0.31 C ATOM 294 O GLU A 21 0.000 -0.044 -10.509 1.00 0.36 O ATOM 295 CB GLU A 21 1.444 0.022 -7.845 1.00 0.53 C ATOM 296 CG GLU A 21 1.000 -0.161 -6.401 1.00 0.79 C ATOM 297 CD GLU A 21 -0.479 0.065 -6.183 1.00 0.70 C ATOM 298 OE1 GLU A 21 -0.834 1.097 -5.584 1.00 1.07 O ATOM 299 OE2 GLU A 21 -1.286 -0.787 -6.600 1.00 1.31 O ATOM 0 H GLU A 21 3.118 -0.803 -9.400 1.00 0.29 H new ATOM 0 HA GLU A 21 0.924 -2.050 -8.125 1.00 0.36 H new ATOM 0 HB2 GLU A 21 2.512 0.239 -7.860 1.00 0.53 H new ATOM 0 HB3 GLU A 21 0.936 0.891 -8.262 1.00 0.53 H new ATOM 0 HG2 GLU A 21 1.255 -1.170 -6.078 1.00 0.79 H new ATOM 0 HG3 GLU A 21 1.560 0.528 -5.769 1.00 0.79 H new ATOM 306 N PRO A 22 -1.082 -1.741 -9.486 1.00 0.27 N ATOM 307 CA PRO A 22 -2.349 -1.606 -10.227 1.00 0.28 C ATOM 308 C PRO A 22 -3.163 -0.376 -9.823 1.00 0.30 C ATOM 309 O PRO A 22 -3.825 0.242 -10.660 1.00 0.41 O ATOM 310 CB PRO A 22 -3.108 -2.869 -9.816 1.00 0.30 C ATOM 311 CG PRO A 22 -2.590 -3.145 -8.454 1.00 0.31 C ATOM 312 CD PRO A 22 -1.123 -2.895 -8.567 1.00 0.31 C ATOM 0 HA PRO A 22 -2.175 -1.489 -11.297 1.00 0.28 H new ATOM 0 HB2 PRO A 22 -4.186 -2.708 -9.812 1.00 0.30 H new ATOM 0 HB3 PRO A 22 -2.912 -3.697 -10.497 1.00 0.30 H new ATOM 0 HG2 PRO A 22 -3.050 -2.492 -7.712 1.00 0.31 H new ATOM 0 HG3 PRO A 22 -2.798 -4.170 -8.148 1.00 0.31 H new ATOM 0 HD2 PRO A 22 -0.672 -2.665 -7.602 1.00 0.31 H new ATOM 0 HD3 PRO A 22 -0.591 -3.757 -8.970 1.00 0.31 H new ATOM 320 N LYS A 23 -3.109 -0.024 -8.545 1.00 0.30 N ATOM 321 CA LYS A 23 -3.952 1.034 -8.001 1.00 0.35 C ATOM 322 C LYS A 23 -3.079 2.131 -7.426 1.00 0.34 C ATOM 323 O LYS A 23 -3.104 2.405 -6.231 1.00 0.45 O ATOM 324 CB LYS A 23 -4.893 0.476 -6.933 1.00 0.42 C ATOM 325 CG LYS A 23 -4.210 -0.462 -5.953 1.00 0.44 C ATOM 326 CD LYS A 23 -5.072 -0.725 -4.739 1.00 0.77 C ATOM 327 CE LYS A 23 -4.286 -1.453 -3.671 1.00 0.73 C ATOM 328 NZ LYS A 23 -5.138 -1.820 -2.504 1.00 1.41 N ATOM 0 H LYS A 23 -2.487 -0.458 -7.863 1.00 0.30 H new ATOM 0 HA LYS A 23 -4.564 1.450 -8.801 1.00 0.35 H new ATOM 0 HB2 LYS A 23 -5.336 1.305 -6.381 1.00 0.42 H new ATOM 0 HB3 LYS A 23 -5.710 -0.054 -7.422 1.00 0.42 H new ATOM 0 HG2 LYS A 23 -3.983 -1.405 -6.450 1.00 0.44 H new ATOM 0 HG3 LYS A 23 -3.260 -0.031 -5.638 1.00 0.44 H new ATOM 0 HD2 LYS A 23 -5.447 0.218 -4.342 1.00 0.77 H new ATOM 0 HD3 LYS A 23 -5.941 -1.318 -5.025 1.00 0.77 H new ATOM 0 HE2 LYS A 23 -3.845 -2.355 -4.096 1.00 0.73 H new ATOM 0 HE3 LYS A 23 -3.462 -0.824 -3.335 1.00 0.73 H new ATOM 0 HZ1 LYS A 23 -4.610 -2.459 -1.876 1.00 1.41 H new ATOM 0 HZ2 LYS A 23 -5.400 -0.960 -1.981 1.00 1.41 H new ATOM 0 HZ3 LYS A 23 -5.999 -2.297 -2.839 1.00 1.41 H new ATOM 342 N LYS A 24 -2.357 2.792 -8.315 1.00 0.29 N ATOM 343 CA LYS A 24 -1.212 3.623 -7.956 1.00 0.29 C ATOM 344 C LYS A 24 -1.557 4.795 -7.030 1.00 0.31 C ATOM 345 O LYS A 24 -0.655 5.429 -6.480 1.00 0.35 O ATOM 346 CB LYS A 24 -0.534 4.126 -9.226 1.00 0.31 C ATOM 347 CG LYS A 24 -0.219 3.004 -10.206 1.00 0.30 C ATOM 348 CD LYS A 24 0.612 3.499 -11.384 1.00 0.42 C ATOM 349 CE LYS A 24 -0.063 4.656 -12.101 1.00 1.15 C ATOM 350 NZ LYS A 24 0.809 5.241 -13.154 1.00 1.75 N ATOM 0 H LYS A 24 -2.548 2.769 -9.317 1.00 0.29 H new ATOM 0 HA LYS A 24 -0.532 2.991 -7.385 1.00 0.29 H new ATOM 0 HB2 LYS A 24 -1.179 4.858 -9.712 1.00 0.31 H new ATOM 0 HB3 LYS A 24 0.389 4.641 -8.961 1.00 0.31 H new ATOM 0 HG2 LYS A 24 0.320 2.210 -9.689 1.00 0.30 H new ATOM 0 HG3 LYS A 24 -1.149 2.571 -10.574 1.00 0.30 H new ATOM 0 HD2 LYS A 24 1.594 3.813 -11.030 1.00 0.42 H new ATOM 0 HD3 LYS A 24 0.773 2.680 -12.085 1.00 0.42 H new ATOM 0 HE2 LYS A 24 -0.994 4.311 -12.551 1.00 1.15 H new ATOM 0 HE3 LYS A 24 -0.326 5.428 -11.377 1.00 1.15 H new ATOM 0 HZ1 LYS A 24 0.312 6.027 -13.619 1.00 1.75 H new ATOM 0 HZ2 LYS A 24 1.687 5.594 -12.722 1.00 1.75 H new ATOM 0 HZ3 LYS A 24 1.039 4.512 -13.859 1.00 1.75 H new ATOM 364 N ASP A 25 -2.837 5.098 -6.851 1.00 0.31 N ATOM 365 CA ASP A 25 -3.226 6.110 -5.871 1.00 0.38 C ATOM 366 C ASP A 25 -2.965 5.585 -4.463 1.00 0.31 C ATOM 367 O ASP A 25 -2.677 6.350 -3.540 1.00 0.34 O ATOM 368 CB ASP A 25 -4.697 6.506 -6.018 1.00 0.54 C ATOM 369 CG ASP A 25 -5.094 7.596 -5.036 1.00 1.32 C ATOM 370 OD1 ASP A 25 -5.994 7.362 -4.201 1.00 2.14 O ATOM 371 OD2 ASP A 25 -4.495 8.694 -5.084 1.00 1.87 O ATOM 0 H ASP A 25 -3.611 4.669 -7.359 1.00 0.31 H new ATOM 0 HA ASP A 25 -2.625 7.002 -6.050 1.00 0.38 H new ATOM 0 HB2 ASP A 25 -4.880 6.851 -7.036 1.00 0.54 H new ATOM 0 HB3 ASP A 25 -5.326 5.630 -5.861 1.00 0.54 H new ATOM 376 N LEU A 26 -3.037 4.267 -4.323 1.00 0.28 N ATOM 377 CA LEU A 26 -2.813 3.601 -3.048 1.00 0.31 C ATOM 378 C LEU A 26 -1.333 3.656 -2.686 1.00 0.25 C ATOM 379 O LEU A 26 -0.968 4.080 -1.587 1.00 0.24 O ATOM 380 CB LEU A 26 -3.288 2.141 -3.139 1.00 0.40 C ATOM 381 CG LEU A 26 -3.555 1.416 -1.810 1.00 0.58 C ATOM 382 CD1 LEU A 26 -2.268 1.157 -1.037 1.00 1.33 C ATOM 383 CD2 LEU A 26 -4.534 2.208 -0.966 1.00 1.18 C ATOM 0 H LEU A 26 -3.252 3.631 -5.091 1.00 0.28 H new ATOM 0 HA LEU A 26 -3.380 4.110 -2.269 1.00 0.31 H new ATOM 0 HB2 LEU A 26 -4.204 2.118 -3.729 1.00 0.40 H new ATOM 0 HB3 LEU A 26 -2.539 1.574 -3.691 1.00 0.40 H new ATOM 0 HG LEU A 26 -3.994 0.446 -2.045 1.00 0.58 H new ATOM 0 HD11 LEU A 26 -2.501 0.643 -0.104 1.00 1.33 H new ATOM 0 HD12 LEU A 26 -1.602 0.537 -1.637 1.00 1.33 H new ATOM 0 HD13 LEU A 26 -1.779 2.106 -0.816 1.00 1.33 H new ATOM 0 HD21 LEU A 26 -4.714 1.683 -0.028 1.00 1.18 H new ATOM 0 HD22 LEU A 26 -4.119 3.194 -0.756 1.00 1.18 H new ATOM 0 HD23 LEU A 26 -5.474 2.318 -1.506 1.00 1.18 H new ATOM 395 N ILE A 27 -0.487 3.230 -3.616 1.00 0.23 N ATOM 396 CA ILE A 27 0.952 3.225 -3.402 1.00 0.23 C ATOM 397 C ILE A 27 1.468 4.653 -3.181 1.00 0.22 C ATOM 398 O ILE A 27 2.376 4.882 -2.383 1.00 0.24 O ATOM 399 CB ILE A 27 1.676 2.541 -4.589 1.00 0.24 C ATOM 400 CG1 ILE A 27 3.091 2.119 -4.212 1.00 0.28 C ATOM 401 CG2 ILE A 27 1.698 3.426 -5.818 1.00 0.34 C ATOM 402 CD1 ILE A 27 3.125 1.042 -3.157 1.00 0.44 C ATOM 0 H ILE A 27 -0.776 2.882 -4.530 1.00 0.23 H new ATOM 0 HA ILE A 27 1.169 2.649 -2.503 1.00 0.23 H new ATOM 0 HB ILE A 27 1.106 1.644 -4.831 1.00 0.24 H new ATOM 0 HG12 ILE A 27 3.607 1.763 -5.103 1.00 0.28 H new ATOM 0 HG13 ILE A 27 3.640 2.989 -3.852 1.00 0.28 H new ATOM 0 HG21 ILE A 27 2.214 2.911 -6.628 1.00 0.34 H new ATOM 0 HG22 ILE A 27 0.676 3.650 -6.123 1.00 0.34 H new ATOM 0 HG23 ILE A 27 2.220 4.355 -5.588 1.00 0.34 H new ATOM 0 HD11 ILE A 27 4.160 0.785 -2.932 1.00 0.44 H new ATOM 0 HD12 ILE A 27 2.636 1.403 -2.252 1.00 0.44 H new ATOM 0 HD13 ILE A 27 2.603 0.158 -3.523 1.00 0.44 H new ATOM 409 N ALA A 28 0.851 5.617 -3.865 1.00 0.21 N ATOM 410 CA ALA A 28 1.166 7.029 -3.667 1.00 0.21 C ATOM 411 C ALA A 28 0.656 7.503 -2.317 1.00 0.21 C ATOM 412 O ALA A 28 1.212 8.410 -1.702 1.00 0.20 O ATOM 413 CB ALA A 28 0.559 7.882 -4.763 1.00 0.21 C ATOM 0 H ALA A 28 0.128 5.443 -4.563 1.00 0.21 H new ATOM 0 HA ALA A 28 2.250 7.134 -3.701 1.00 0.21 H new ATOM 0 HB1 ALA A 28 0.809 8.929 -4.590 1.00 0.21 H new ATOM 0 HB2 ALA A 28 0.955 7.569 -5.729 1.00 0.21 H new ATOM 0 HB3 ALA A 28 -0.524 7.763 -4.759 1.00 0.21 H new ATOM 419 N ARG A 29 -0.446 6.920 -1.889 1.00 0.21 N ATOM 420 CA ARG A 29 -1.056 7.278 -0.629 1.00 0.21 C ATOM 421 C ARG A 29 -0.175 6.883 0.554 1.00 0.19 C ATOM 422 O ARG A 29 -0.051 7.651 1.504 1.00 0.17 O ATOM 423 CB ARG A 29 -2.420 6.628 -0.500 1.00 0.22 C ATOM 424 CG ARG A 29 -3.008 6.791 0.874 1.00 0.27 C ATOM 425 CD ARG A 29 -4.313 6.019 0.999 1.00 0.29 C ATOM 426 NE ARG A 29 -5.282 6.480 0.000 1.00 0.64 N ATOM 427 CZ ARG A 29 -6.307 5.760 -0.453 1.00 1.11 C ATOM 428 NH1 ARG A 29 -6.587 4.578 0.076 1.00 1.48 N ATOM 429 NH2 ARG A 29 -7.068 6.232 -1.435 1.00 1.47 N ATOM 0 H ARG A 29 -0.939 6.190 -2.403 1.00 0.21 H new ATOM 0 HA ARG A 29 -1.171 8.362 -0.615 1.00 0.21 H new ATOM 0 HB2 ARG A 29 -3.097 7.063 -1.235 1.00 0.22 H new ATOM 0 HB3 ARG A 29 -2.336 5.566 -0.732 1.00 0.22 H new ATOM 0 HG2 ARG A 29 -2.298 6.438 1.622 1.00 0.27 H new ATOM 0 HG3 ARG A 29 -3.185 7.848 1.076 1.00 0.27 H new ATOM 0 HD2 ARG A 29 -4.126 4.953 0.867 1.00 0.29 H new ATOM 0 HD3 ARG A 29 -4.724 6.149 2.000 1.00 0.29 H new ATOM 0 HE ARG A 29 -5.163 7.421 -0.376 1.00 0.64 H new ATOM 0 HH11 ARG A 29 -6.015 4.212 0.837 1.00 1.48 H new ATOM 0 HH12 ARG A 29 -7.374 4.034 -0.278 1.00 1.48 H new ATOM 0 HH21 ARG A 29 -6.867 7.146 -1.842 1.00 1.47 H new ATOM 0 HH22 ARG A 29 -7.853 5.681 -1.782 1.00 1.47 H new ATOM 443 N VAL A 30 0.430 5.694 0.497 1.00 0.21 N ATOM 444 CA VAL A 30 1.349 5.258 1.556 1.00 0.23 C ATOM 445 C VAL A 30 2.405 6.327 1.752 1.00 0.19 C ATOM 446 O VAL A 30 2.714 6.735 2.869 1.00 0.17 O ATOM 447 CB VAL A 30 2.070 3.938 1.209 1.00 0.34 C ATOM 448 CG1 VAL A 30 2.814 3.401 2.423 1.00 1.03 C ATOM 449 CG2 VAL A 30 1.106 2.899 0.670 1.00 1.10 C ATOM 0 H VAL A 30 0.304 5.022 -0.260 1.00 0.21 H new ATOM 0 HA VAL A 30 0.756 5.096 2.456 1.00 0.23 H new ATOM 0 HB VAL A 30 2.794 4.154 0.423 1.00 0.34 H new ATOM 0 HG11 VAL A 30 3.316 2.470 2.160 1.00 1.03 H new ATOM 0 HG12 VAL A 30 3.553 4.132 2.749 1.00 1.03 H new ATOM 0 HG13 VAL A 30 2.106 3.215 3.231 1.00 1.03 H new ATOM 0 HG21 VAL A 30 1.650 1.984 0.437 1.00 1.10 H new ATOM 0 HG22 VAL A 30 0.343 2.687 1.419 1.00 1.10 H new ATOM 0 HG23 VAL A 30 0.630 3.278 -0.234 1.00 1.10 H new ATOM 453 N VAL A 31 2.899 6.795 0.623 1.00 0.19 N ATOM 454 CA VAL A 31 3.847 7.889 0.553 1.00 0.19 C ATOM 455 C VAL A 31 3.343 9.104 1.319 1.00 0.17 C ATOM 456 O VAL A 31 4.026 9.638 2.186 1.00 0.20 O ATOM 457 CB VAL A 31 4.020 8.291 -0.917 1.00 0.20 C ATOM 458 CG1 VAL A 31 4.844 9.565 -1.052 1.00 0.20 C ATOM 459 CG2 VAL A 31 4.644 7.161 -1.721 1.00 0.22 C ATOM 0 H VAL A 31 2.647 6.417 -0.290 1.00 0.19 H new ATOM 0 HA VAL A 31 4.789 7.559 0.992 1.00 0.19 H new ATOM 0 HB VAL A 31 3.027 8.491 -1.321 1.00 0.20 H new ATOM 0 HG11 VAL A 31 4.947 9.821 -2.106 1.00 0.20 H new ATOM 0 HG12 VAL A 31 4.344 10.379 -0.528 1.00 0.20 H new ATOM 0 HG13 VAL A 31 5.832 9.407 -0.619 1.00 0.20 H new ATOM 0 HG21 VAL A 31 4.756 7.472 -2.760 1.00 0.22 H new ATOM 0 HG22 VAL A 31 5.623 6.918 -1.308 1.00 0.22 H new ATOM 0 HG23 VAL A 31 4.001 6.282 -1.673 1.00 0.22 H new ATOM 463 N ARG A 32 2.136 9.525 0.989 1.00 0.16 N ATOM 464 CA ARG A 32 1.566 10.737 1.550 1.00 0.19 C ATOM 465 C ARG A 32 1.309 10.609 3.052 1.00 0.18 C ATOM 466 O ARG A 32 1.463 11.574 3.798 1.00 0.23 O ATOM 467 CB ARG A 32 0.276 11.094 0.811 1.00 0.26 C ATOM 468 CG ARG A 32 0.528 11.668 -0.572 1.00 1.08 C ATOM 469 CD ARG A 32 -0.762 11.848 -1.351 1.00 1.37 C ATOM 470 NE ARG A 32 -1.264 10.582 -1.891 1.00 2.21 N ATOM 471 CZ ARG A 32 -2.374 10.475 -2.627 1.00 2.78 C ATOM 472 NH1 ARG A 32 -3.144 11.540 -2.828 1.00 2.81 N ATOM 473 NH2 ARG A 32 -2.718 9.297 -3.149 1.00 3.75 N ATOM 0 H ARG A 32 1.527 9.041 0.330 1.00 0.16 H new ATOM 0 HA ARG A 32 2.292 11.540 1.418 1.00 0.19 H new ATOM 0 HB2 ARG A 32 -0.344 10.202 0.721 1.00 0.26 H new ATOM 0 HB3 ARG A 32 -0.287 11.816 1.402 1.00 0.26 H new ATOM 0 HG2 ARG A 32 1.034 12.629 -0.480 1.00 1.08 H new ATOM 0 HG3 ARG A 32 1.197 11.007 -1.124 1.00 1.08 H new ATOM 0 HD2 ARG A 32 -1.518 12.289 -0.701 1.00 1.37 H new ATOM 0 HD3 ARG A 32 -0.596 12.549 -2.169 1.00 1.37 H new ATOM 0 HE ARG A 32 -0.735 9.732 -1.694 1.00 2.21 H new ATOM 0 HH11 ARG A 32 -2.887 12.439 -2.420 1.00 2.81 H new ATOM 0 HH12 ARG A 32 -3.991 11.458 -3.390 1.00 2.81 H new ATOM 0 HH21 ARG A 32 -2.134 8.477 -2.986 1.00 3.75 H new ATOM 0 HH22 ARG A 32 -3.566 9.216 -3.711 1.00 3.75 H new ATOM 487 N ILE A 33 0.919 9.419 3.489 1.00 0.16 N ATOM 488 CA ILE A 33 0.586 9.196 4.891 1.00 0.17 C ATOM 489 C ILE A 33 1.833 9.125 5.781 1.00 0.18 C ATOM 490 O ILE A 33 1.923 9.835 6.781 1.00 0.22 O ATOM 491 CB ILE A 33 -0.260 7.915 5.071 1.00 0.21 C ATOM 492 CG1 ILE A 33 -1.549 8.007 4.247 1.00 0.30 C ATOM 493 CG2 ILE A 33 -0.590 7.681 6.540 1.00 0.21 C ATOM 494 CD1 ILE A 33 -2.441 9.172 4.629 1.00 0.80 C ATOM 0 H ILE A 33 0.825 8.595 2.895 1.00 0.16 H new ATOM 0 HA ILE A 33 -0.003 10.057 5.207 1.00 0.17 H new ATOM 0 HB ILE A 33 0.327 7.069 4.714 1.00 0.21 H new ATOM 0 HG12 ILE A 33 -1.289 8.092 3.192 1.00 0.30 H new ATOM 0 HG13 ILE A 33 -2.110 7.080 4.363 1.00 0.30 H new ATOM 0 HG21 ILE A 33 -1.186 6.774 6.639 1.00 0.21 H new ATOM 0 HG22 ILE A 33 0.334 7.572 7.108 1.00 0.21 H new ATOM 0 HG23 ILE A 33 -1.155 8.530 6.926 1.00 0.21 H new ATOM 0 HD11 ILE A 33 -3.332 9.169 4.002 1.00 0.80 H new ATOM 0 HD12 ILE A 33 -2.733 9.079 5.675 1.00 0.80 H new ATOM 0 HD13 ILE A 33 -1.900 10.107 4.486 1.00 0.80 H new ATOM 501 N ILE A 34 2.799 8.286 5.416 1.00 0.20 N ATOM 502 CA ILE A 34 3.974 8.079 6.264 1.00 0.25 C ATOM 503 C ILE A 34 5.096 9.051 5.925 1.00 0.23 C ATOM 504 O ILE A 34 5.933 9.371 6.771 1.00 0.30 O ATOM 505 CB ILE A 34 4.518 6.633 6.173 1.00 0.30 C ATOM 506 CG1 ILE A 34 5.001 6.308 4.754 1.00 0.26 C ATOM 507 CG2 ILE A 34 3.455 5.644 6.610 1.00 0.40 C ATOM 508 CD1 ILE A 34 5.580 4.913 4.609 1.00 0.34 C ATOM 0 H ILE A 34 2.795 7.744 4.552 1.00 0.20 H new ATOM 0 HA ILE A 34 3.636 8.262 7.284 1.00 0.25 H new ATOM 0 HB ILE A 34 5.374 6.552 6.844 1.00 0.30 H new ATOM 0 HG12 ILE A 34 4.166 6.419 4.062 1.00 0.26 H new ATOM 0 HG13 ILE A 34 5.757 7.037 4.461 1.00 0.26 H new ATOM 0 HG21 ILE A 34 3.851 4.631 6.541 1.00 0.40 H new ATOM 0 HG22 ILE A 34 3.166 5.852 7.640 1.00 0.40 H new ATOM 0 HG23 ILE A 34 2.583 5.738 5.963 1.00 0.40 H new ATOM 0 HD11 ILE A 34 5.900 4.757 3.579 1.00 0.34 H new ATOM 0 HD12 ILE A 34 6.436 4.803 5.275 1.00 0.34 H new ATOM 0 HD13 ILE A 34 4.821 4.175 4.869 1.00 0.34 H new ATOM 515 N GLY A 35 5.108 9.527 4.694 1.00 0.23 N ATOM 516 CA GLY A 35 6.178 10.387 4.246 1.00 0.24 C ATOM 517 C GLY A 35 6.943 9.763 3.098 1.00 0.22 C ATOM 518 O GLY A 35 7.203 8.558 3.099 1.00 0.26 O ATOM 0 H GLY A 35 4.393 9.332 3.993 1.00 0.23 H new ATOM 0 HA2 GLY A 35 5.768 11.347 3.933 1.00 0.24 H new ATOM 0 HA3 GLY A 35 6.859 10.585 5.074 1.00 0.24 H new ATOM 522 N ASN A 36 7.298 10.584 2.122 1.00 0.30 N ATOM 523 CA ASN A 36 8.026 10.130 0.937 1.00 0.34 C ATOM 524 C ASN A 36 9.321 9.413 1.306 1.00 0.27 C ATOM 525 O ASN A 36 9.679 8.404 0.698 1.00 0.27 O ATOM 526 CB ASN A 36 8.318 11.324 0.020 1.00 0.46 C ATOM 527 CG ASN A 36 8.628 12.595 0.794 1.00 0.55 C ATOM 528 OD1 ASN A 36 7.720 13.332 1.178 1.00 0.91 O ATOM 529 ND2 ASN A 36 9.901 12.873 1.015 1.00 0.71 N ATOM 0 H ASN A 36 7.092 11.583 2.124 1.00 0.30 H new ATOM 0 HA ASN A 36 7.397 9.412 0.410 1.00 0.34 H new ATOM 0 HB2 ASN A 36 9.161 11.082 -0.627 1.00 0.46 H new ATOM 0 HB3 ASN A 36 7.459 11.498 -0.628 1.00 0.46 H new ATOM 0 HD21 ASN A 36 10.158 13.722 1.519 1.00 0.71 H new ATOM 0 HD22 ASN A 36 10.627 12.239 0.682 1.00 0.71 H new ATOM 536 N LYS A 37 9.993 9.910 2.332 1.00 0.31 N ATOM 537 CA LYS A 37 11.262 9.343 2.755 1.00 0.33 C ATOM 538 C LYS A 37 11.040 7.985 3.417 1.00 0.27 C ATOM 539 O LYS A 37 11.862 7.075 3.296 1.00 0.31 O ATOM 540 CB LYS A 37 11.971 10.310 3.705 1.00 0.46 C ATOM 541 CG LYS A 37 13.417 9.940 3.990 1.00 1.24 C ATOM 542 CD LYS A 37 14.164 11.087 4.650 1.00 1.85 C ATOM 543 CE LYS A 37 14.183 12.321 3.760 1.00 2.58 C ATOM 544 NZ LYS A 37 14.925 13.448 4.382 1.00 3.19 N ATOM 0 H LYS A 37 9.680 10.706 2.888 1.00 0.31 H new ATOM 0 HA LYS A 37 11.897 9.191 1.882 1.00 0.33 H new ATOM 0 HB2 LYS A 37 11.940 11.312 3.278 1.00 0.46 H new ATOM 0 HB3 LYS A 37 11.423 10.347 4.646 1.00 0.46 H new ATOM 0 HG2 LYS A 37 13.449 9.063 4.637 1.00 1.24 H new ATOM 0 HG3 LYS A 37 13.915 9.668 3.059 1.00 1.24 H new ATOM 0 HD2 LYS A 37 13.693 11.330 5.602 1.00 1.85 H new ATOM 0 HD3 LYS A 37 15.186 10.779 4.870 1.00 1.85 H new ATOM 0 HE2 LYS A 37 14.641 12.070 2.803 1.00 2.58 H new ATOM 0 HE3 LYS A 37 13.160 12.633 3.551 1.00 2.58 H new ATOM 0 HZ1 LYS A 37 14.913 14.267 3.742 1.00 3.19 H new ATOM 0 HZ2 LYS A 37 14.474 13.706 5.283 1.00 3.19 H new ATOM 0 HZ3 LYS A 37 15.909 13.161 4.558 1.00 3.19 H new ATOM 558 N LYS A 38 9.914 7.854 4.112 1.00 0.27 N ATOM 559 CA LYS A 38 9.541 6.590 4.732 1.00 0.27 C ATOM 560 C LYS A 38 9.166 5.559 3.672 1.00 0.24 C ATOM 561 O LYS A 38 9.370 4.360 3.859 1.00 0.32 O ATOM 562 CB LYS A 38 8.392 6.787 5.720 1.00 0.36 C ATOM 563 CG LYS A 38 8.763 7.620 6.940 1.00 1.07 C ATOM 564 CD LYS A 38 9.982 7.064 7.666 1.00 1.33 C ATOM 565 CE LYS A 38 9.793 5.609 8.069 1.00 1.33 C ATOM 566 NZ LYS A 38 10.965 5.083 8.818 1.00 2.45 N ATOM 0 H LYS A 38 9.244 8.609 4.259 1.00 0.27 H new ATOM 0 HA LYS A 38 10.404 6.217 5.283 1.00 0.27 H new ATOM 0 HB2 LYS A 38 7.560 7.267 5.204 1.00 0.36 H new ATOM 0 HB3 LYS A 38 8.040 5.810 6.052 1.00 0.36 H new ATOM 0 HG2 LYS A 38 8.963 8.646 6.631 1.00 1.07 H new ATOM 0 HG3 LYS A 38 7.917 7.653 7.626 1.00 1.07 H new ATOM 0 HD2 LYS A 38 10.858 7.151 7.023 1.00 1.33 H new ATOM 0 HD3 LYS A 38 10.179 7.663 8.555 1.00 1.33 H new ATOM 0 HE2 LYS A 38 8.898 5.516 8.684 1.00 1.33 H new ATOM 0 HE3 LYS A 38 9.631 5.004 7.177 1.00 1.33 H new ATOM 0 HZ1 LYS A 38 11.030 4.054 8.682 1.00 2.45 H new ATOM 0 HZ2 LYS A 38 11.833 5.535 8.466 1.00 2.45 H new ATOM 0 HZ3 LYS A 38 10.852 5.292 9.831 1.00 2.45 H new ATOM 580 N ALA A 39 8.619 6.031 2.556 1.00 0.20 N ATOM 581 CA ALA A 39 8.305 5.157 1.431 1.00 0.22 C ATOM 582 C ALA A 39 9.583 4.531 0.876 1.00 0.24 C ATOM 583 O ALA A 39 9.608 3.357 0.506 1.00 0.29 O ATOM 584 CB ALA A 39 7.574 5.930 0.345 1.00 0.26 C ATOM 0 H ALA A 39 8.384 7.012 2.407 1.00 0.20 H new ATOM 0 HA ALA A 39 7.651 4.358 1.782 1.00 0.22 H new ATOM 0 HB1 ALA A 39 7.347 5.263 -0.487 1.00 0.26 H new ATOM 0 HB2 ALA A 39 6.646 6.335 0.749 1.00 0.26 H new ATOM 0 HB3 ALA A 39 8.204 6.747 -0.007 1.00 0.26 H new ATOM 590 N ILE A 40 10.652 5.326 0.838 1.00 0.24 N ATOM 591 CA ILE A 40 11.959 4.843 0.407 1.00 0.32 C ATOM 592 C ILE A 40 12.480 3.778 1.373 1.00 0.30 C ATOM 593 O ILE A 40 13.038 2.759 0.950 1.00 0.35 O ATOM 594 CB ILE A 40 12.985 5.993 0.318 1.00 0.42 C ATOM 595 CG1 ILE A 40 12.507 7.057 -0.675 1.00 0.55 C ATOM 596 CG2 ILE A 40 14.355 5.463 -0.091 1.00 0.52 C ATOM 597 CD1 ILE A 40 13.435 8.246 -0.785 1.00 1.13 C ATOM 0 H ILE A 40 10.636 6.311 1.102 1.00 0.24 H new ATOM 0 HA ILE A 40 11.834 4.410 -0.585 1.00 0.32 H new ATOM 0 HB ILE A 40 13.075 6.450 1.304 1.00 0.42 H new ATOM 0 HG12 ILE A 40 12.398 6.600 -1.659 1.00 0.55 H new ATOM 0 HG13 ILE A 40 11.519 7.405 -0.374 1.00 0.55 H new ATOM 0 HG21 ILE A 40 15.063 6.290 -0.148 1.00 0.52 H new ATOM 0 HG22 ILE A 40 14.701 4.740 0.647 1.00 0.52 H new ATOM 0 HG23 ILE A 40 14.282 4.980 -1.066 1.00 0.52 H new ATOM 0 HD11 ILE A 40 13.032 8.957 -1.506 1.00 1.13 H new ATOM 0 HD12 ILE A 40 13.526 8.728 0.188 1.00 1.13 H new ATOM 0 HD13 ILE A 40 14.418 7.911 -1.117 1.00 1.13 H new ATOM 604 N GLU A 41 12.287 4.026 2.668 1.00 0.28 N ATOM 605 CA GLU A 41 12.644 3.062 3.705 1.00 0.32 C ATOM 606 C GLU A 41 11.959 1.730 3.450 1.00 0.31 C ATOM 607 O GLU A 41 12.594 0.672 3.490 1.00 0.37 O ATOM 608 CB GLU A 41 12.243 3.583 5.087 1.00 0.38 C ATOM 609 CG GLU A 41 13.101 4.730 5.581 1.00 0.79 C ATOM 610 CD GLU A 41 14.535 4.310 5.818 1.00 1.42 C ATOM 611 OE1 GLU A 41 15.427 4.806 5.099 1.00 2.10 O ATOM 612 OE2 GLU A 41 14.775 3.477 6.716 1.00 1.57 O ATOM 0 H GLU A 41 11.883 4.892 3.024 1.00 0.28 H new ATOM 0 HA GLU A 41 13.725 2.922 3.677 1.00 0.32 H new ATOM 0 HB2 GLU A 41 11.203 3.907 5.055 1.00 0.38 H new ATOM 0 HB3 GLU A 41 12.300 2.764 5.804 1.00 0.38 H new ATOM 0 HG2 GLU A 41 13.077 5.540 4.852 1.00 0.79 H new ATOM 0 HG3 GLU A 41 12.681 5.123 6.507 1.00 0.79 H new ATOM 619 N LEU A 42 10.664 1.796 3.162 1.00 0.26 N ATOM 620 CA LEU A 42 9.873 0.606 2.907 1.00 0.25 C ATOM 621 C LEU A 42 10.407 -0.165 1.710 1.00 0.24 C ATOM 622 O LEU A 42 10.431 -1.389 1.735 1.00 0.26 O ATOM 623 CB LEU A 42 8.404 0.962 2.674 1.00 0.25 C ATOM 624 CG LEU A 42 7.637 1.438 3.907 1.00 0.28 C ATOM 625 CD1 LEU A 42 6.183 1.695 3.560 1.00 0.29 C ATOM 626 CD2 LEU A 42 7.733 0.418 5.034 1.00 0.28 C ATOM 0 H LEU A 42 10.140 2.669 3.100 1.00 0.26 H new ATOM 0 HA LEU A 42 9.948 -0.026 3.792 1.00 0.25 H new ATOM 0 HB2 LEU A 42 8.354 1.741 1.914 1.00 0.25 H new ATOM 0 HB3 LEU A 42 7.897 0.087 2.268 1.00 0.25 H new ATOM 0 HG LEU A 42 8.089 2.370 4.246 1.00 0.28 H new ATOM 0 HD11 LEU A 42 5.651 2.033 4.449 1.00 0.29 H new ATOM 0 HD12 LEU A 42 6.123 2.462 2.788 1.00 0.29 H new ATOM 0 HD13 LEU A 42 5.728 0.775 3.193 1.00 0.29 H new ATOM 0 HD21 LEU A 42 7.179 0.780 5.900 1.00 0.28 H new ATOM 0 HD22 LEU A 42 7.310 -0.531 4.703 1.00 0.28 H new ATOM 0 HD23 LEU A 42 8.779 0.274 5.306 1.00 0.28 H new ATOM 638 N LEU A 43 10.848 0.546 0.672 1.00 0.28 N ATOM 639 CA LEU A 43 11.345 -0.105 -0.544 1.00 0.33 C ATOM 640 C LEU A 43 12.542 -1.003 -0.248 1.00 0.31 C ATOM 641 O LEU A 43 12.742 -2.027 -0.904 1.00 0.38 O ATOM 642 CB LEU A 43 11.718 0.919 -1.617 1.00 0.46 C ATOM 643 CG LEU A 43 10.550 1.711 -2.206 1.00 0.52 C ATOM 644 CD1 LEU A 43 10.961 2.371 -3.510 1.00 1.36 C ATOM 645 CD2 LEU A 43 9.341 0.814 -2.423 1.00 1.24 C ATOM 0 H LEU A 43 10.872 1.565 0.647 1.00 0.28 H new ATOM 0 HA LEU A 43 10.532 -0.724 -0.923 1.00 0.33 H new ATOM 0 HB2 LEU A 43 12.433 1.623 -1.190 1.00 0.46 H new ATOM 0 HB3 LEU A 43 12.228 0.400 -2.428 1.00 0.46 H new ATOM 0 HG LEU A 43 10.273 2.488 -1.494 1.00 0.52 H new ATOM 0 HD11 LEU A 43 10.118 2.931 -3.916 1.00 1.36 H new ATOM 0 HD12 LEU A 43 11.794 3.050 -3.327 1.00 1.36 H new ATOM 0 HD13 LEU A 43 11.267 1.606 -4.224 1.00 1.36 H new ATOM 0 HD21 LEU A 43 8.524 1.400 -2.843 1.00 1.24 H new ATOM 0 HD22 LEU A 43 9.603 0.011 -3.112 1.00 1.24 H new ATOM 0 HD23 LEU A 43 9.029 0.387 -1.470 1.00 1.24 H new ATOM 657 N MET A 44 13.343 -0.618 0.730 1.00 0.28 N ATOM 658 CA MET A 44 14.464 -1.447 1.151 1.00 0.32 C ATOM 659 C MET A 44 13.956 -2.635 1.954 1.00 0.34 C ATOM 660 O MET A 44 14.469 -3.748 1.837 1.00 0.44 O ATOM 661 CB MET A 44 15.464 -0.635 1.973 1.00 0.33 C ATOM 662 CG MET A 44 16.177 0.433 1.162 1.00 0.93 C ATOM 663 SD MET A 44 17.258 1.472 2.164 1.00 1.99 S ATOM 664 CE MET A 44 18.459 0.269 2.736 1.00 2.20 C ATOM 0 H MET A 44 13.241 0.256 1.246 1.00 0.28 H new ATOM 0 HA MET A 44 14.978 -1.813 0.262 1.00 0.32 H new ATOM 0 HB2 MET A 44 14.942 -0.162 2.805 1.00 0.33 H new ATOM 0 HB3 MET A 44 16.204 -1.310 2.403 1.00 0.33 H new ATOM 0 HG2 MET A 44 16.765 -0.045 0.379 1.00 0.93 H new ATOM 0 HG3 MET A 44 15.436 1.060 0.666 1.00 0.93 H new ATOM 0 HE1 MET A 44 19.337 0.787 3.122 1.00 2.20 H new ATOM 0 HE2 MET A 44 18.018 -0.337 3.527 1.00 2.20 H new ATOM 0 HE3 MET A 44 18.753 -0.374 1.907 1.00 2.20 H new ATOM 674 N GLU A 45 12.926 -2.386 2.749 1.00 0.32 N ATOM 675 CA GLU A 45 12.314 -3.413 3.580 1.00 0.42 C ATOM 676 C GLU A 45 11.542 -4.435 2.738 1.00 0.42 C ATOM 677 O GLU A 45 11.403 -5.592 3.134 1.00 0.53 O ATOM 678 CB GLU A 45 11.387 -2.760 4.612 1.00 0.48 C ATOM 679 CG GLU A 45 12.108 -1.830 5.576 1.00 1.12 C ATOM 680 CD GLU A 45 11.174 -1.172 6.574 1.00 1.39 C ATOM 681 OE1 GLU A 45 11.203 0.076 6.697 1.00 1.78 O ATOM 682 OE2 GLU A 45 10.411 -1.903 7.238 1.00 1.83 O ATOM 0 H GLU A 45 12.491 -1.468 2.836 1.00 0.32 H new ATOM 0 HA GLU A 45 13.109 -3.950 4.097 1.00 0.42 H new ATOM 0 HB2 GLU A 45 10.613 -2.198 4.089 1.00 0.48 H new ATOM 0 HB3 GLU A 45 10.884 -3.541 5.182 1.00 0.48 H new ATOM 0 HG2 GLU A 45 12.869 -2.394 6.116 1.00 1.12 H new ATOM 0 HG3 GLU A 45 12.627 -1.058 5.008 1.00 1.12 H new ATOM 689 N THR A 46 11.051 -4.012 1.573 1.00 0.35 N ATOM 690 CA THR A 46 10.259 -4.889 0.710 1.00 0.42 C ATOM 691 C THR A 46 11.088 -6.076 0.237 1.00 0.52 C ATOM 692 O THR A 46 10.598 -7.204 0.181 1.00 0.57 O ATOM 693 CB THR A 46 9.719 -4.142 -0.531 1.00 0.46 C ATOM 694 OG1 THR A 46 9.933 -2.737 -0.394 1.00 1.03 O ATOM 695 CG2 THR A 46 8.232 -4.397 -0.732 1.00 0.66 C ATOM 0 H THR A 46 11.187 -3.070 1.206 1.00 0.35 H new ATOM 0 HA THR A 46 9.417 -5.236 1.309 1.00 0.42 H new ATOM 0 HB THR A 46 10.260 -4.519 -1.399 1.00 0.46 H new ATOM 0 HG1 THR A 46 9.106 -2.258 -0.610 1.00 1.03 H new ATOM 0 HG21 THR A 46 7.886 -3.857 -1.613 1.00 0.66 H new ATOM 0 HG22 THR A 46 8.061 -5.465 -0.871 1.00 0.66 H new ATOM 0 HG23 THR A 46 7.682 -4.053 0.144 1.00 0.66 H new ATOM 703 N ALA A 47 12.354 -5.817 -0.072 1.00 0.58 N ATOM 704 CA ALA A 47 13.241 -6.843 -0.603 1.00 0.71 C ATOM 705 C ALA A 47 13.371 -8.025 0.348 1.00 0.76 C ATOM 706 O ALA A 47 13.313 -9.179 -0.076 1.00 0.88 O ATOM 707 CB ALA A 47 14.610 -6.259 -0.894 1.00 0.78 C ATOM 0 H ALA A 47 12.789 -4.901 0.037 1.00 0.58 H new ATOM 0 HA ALA A 47 12.800 -7.207 -1.531 1.00 0.71 H new ATOM 0 HB1 ALA A 47 15.261 -7.038 -1.290 1.00 0.78 H new ATOM 0 HB2 ALA A 47 14.515 -5.458 -1.627 1.00 0.78 H new ATOM 0 HB3 ALA A 47 15.039 -5.861 0.026 1.00 0.78 H new ATOM 713 N GLU A 48 13.536 -7.745 1.633 1.00 0.74 N ATOM 714 CA GLU A 48 13.690 -8.811 2.611 1.00 0.85 C ATOM 715 C GLU A 48 12.355 -9.489 2.912 1.00 0.78 C ATOM 716 O GLU A 48 12.316 -10.677 3.204 1.00 0.94 O ATOM 717 CB GLU A 48 14.357 -8.307 3.888 1.00 0.94 C ATOM 718 CG GLU A 48 13.809 -6.995 4.400 1.00 1.48 C ATOM 719 CD GLU A 48 14.468 -6.577 5.692 1.00 1.79 C ATOM 720 OE1 GLU A 48 13.810 -6.662 6.746 1.00 2.51 O ATOM 721 OE2 GLU A 48 15.653 -6.188 5.659 1.00 1.88 O ATOM 0 H GLU A 48 13.566 -6.801 2.019 1.00 0.74 H new ATOM 0 HA GLU A 48 14.348 -9.561 2.173 1.00 0.85 H new ATOM 0 HB2 GLU A 48 14.244 -9.063 4.665 1.00 0.94 H new ATOM 0 HB3 GLU A 48 15.426 -8.194 3.706 1.00 0.94 H new ATOM 0 HG2 GLU A 48 13.960 -6.220 3.648 1.00 1.48 H new ATOM 0 HG3 GLU A 48 12.734 -7.086 4.553 1.00 1.48 H new ATOM 728 N VAL A 49 11.259 -8.753 2.816 1.00 0.60 N ATOM 729 CA VAL A 49 9.942 -9.367 2.950 1.00 0.55 C ATOM 730 C VAL A 49 9.712 -10.334 1.790 1.00 0.65 C ATOM 731 O VAL A 49 9.109 -11.402 1.949 1.00 0.76 O ATOM 732 CB VAL A 49 8.813 -8.317 2.991 1.00 0.47 C ATOM 733 CG1 VAL A 49 7.453 -8.991 3.070 1.00 0.57 C ATOM 734 CG2 VAL A 49 9.002 -7.384 4.175 1.00 0.59 C ATOM 0 H VAL A 49 11.250 -7.747 2.649 1.00 0.60 H new ATOM 0 HA VAL A 49 9.919 -9.905 3.897 1.00 0.55 H new ATOM 0 HB VAL A 49 8.857 -7.734 2.071 1.00 0.47 H new ATOM 0 HG11 VAL A 49 6.672 -8.232 3.098 1.00 0.57 H new ATOM 0 HG12 VAL A 49 7.310 -9.626 2.196 1.00 0.57 H new ATOM 0 HG13 VAL A 49 7.400 -9.599 3.973 1.00 0.57 H new ATOM 0 HG21 VAL A 49 8.198 -6.649 4.191 1.00 0.59 H new ATOM 0 HG22 VAL A 49 8.984 -7.961 5.100 1.00 0.59 H new ATOM 0 HG23 VAL A 49 9.960 -6.872 4.085 1.00 0.59 H new ATOM 738 N GLU A 50 10.227 -9.962 0.623 1.00 0.70 N ATOM 739 CA GLU A 50 10.174 -10.825 -0.547 1.00 0.91 C ATOM 740 C GLU A 50 11.080 -12.038 -0.376 1.00 1.07 C ATOM 741 O GLU A 50 10.657 -13.166 -0.629 1.00 1.22 O ATOM 742 CB GLU A 50 10.566 -10.064 -1.813 1.00 1.03 C ATOM 743 CG GLU A 50 9.523 -9.065 -2.268 1.00 1.14 C ATOM 744 CD GLU A 50 9.866 -8.450 -3.602 1.00 1.46 C ATOM 745 OE1 GLU A 50 9.530 -9.049 -4.641 1.00 1.81 O ATOM 746 OE2 GLU A 50 10.462 -7.354 -3.617 1.00 1.96 O ATOM 0 H GLU A 50 10.687 -9.065 0.464 1.00 0.70 H new ATOM 0 HA GLU A 50 9.144 -11.167 -0.649 1.00 0.91 H new ATOM 0 HB2 GLU A 50 11.505 -9.540 -1.636 1.00 1.03 H new ATOM 0 HB3 GLU A 50 10.746 -10.779 -2.616 1.00 1.03 H new ATOM 0 HG2 GLU A 50 8.554 -9.560 -2.336 1.00 1.14 H new ATOM 0 HG3 GLU A 50 9.427 -8.277 -1.521 1.00 1.14 H new ATOM 753 N GLN A 51 12.313 -11.809 0.069 1.00 1.10 N ATOM 754 CA GLN A 51 13.280 -12.896 0.209 1.00 1.31 C ATOM 755 C GLN A 51 12.826 -13.889 1.276 1.00 1.39 C ATOM 756 O GLN A 51 13.176 -15.070 1.237 1.00 1.61 O ATOM 757 CB GLN A 51 14.673 -12.366 0.565 1.00 1.34 C ATOM 758 CG GLN A 51 14.794 -11.842 1.986 1.00 1.24 C ATOM 759 CD GLN A 51 16.218 -11.509 2.383 1.00 1.70 C ATOM 760 OE1 GLN A 51 16.692 -10.393 2.169 1.00 2.25 O ATOM 761 NE2 GLN A 51 16.901 -12.476 2.977 1.00 2.01 N ATOM 0 H GLN A 51 12.665 -10.890 0.337 1.00 1.10 H new ATOM 0 HA GLN A 51 13.338 -13.402 -0.754 1.00 1.31 H new ATOM 0 HB2 GLN A 51 15.401 -13.164 0.420 1.00 1.34 H new ATOM 0 HB3 GLN A 51 14.934 -11.567 -0.129 1.00 1.34 H new ATOM 0 HG2 GLN A 51 14.177 -10.950 2.091 1.00 1.24 H new ATOM 0 HG3 GLN A 51 14.397 -12.587 2.676 1.00 1.24 H new ATOM 0 HE21 GLN A 51 16.466 -13.385 3.133 1.00 2.01 H new ATOM 0 HE22 GLN A 51 17.862 -12.311 3.278 1.00 2.01 H new ATOM 770 N ASN A 52 12.048 -13.401 2.232 1.00 1.22 N ATOM 771 CA ASN A 52 11.587 -14.225 3.340 1.00 1.34 C ATOM 772 C ASN A 52 10.211 -14.822 3.057 1.00 1.34 C ATOM 773 O ASN A 52 9.689 -15.610 3.843 1.00 1.53 O ATOM 774 CB ASN A 52 11.556 -13.410 4.637 1.00 1.26 C ATOM 775 CG ASN A 52 12.941 -13.009 5.131 1.00 1.72 C ATOM 776 OD1 ASN A 52 13.098 -11.989 5.802 1.00 2.34 O ATOM 777 ND2 ASN A 52 13.951 -13.798 4.798 1.00 2.03 N ATOM 0 H ASN A 52 11.722 -12.435 2.262 1.00 1.22 H new ATOM 0 HA ASN A 52 12.292 -15.048 3.456 1.00 1.34 H new ATOM 0 HB2 ASN A 52 10.960 -12.511 4.479 1.00 1.26 H new ATOM 0 HB3 ASN A 52 11.056 -13.992 5.411 1.00 1.26 H new ATOM 0 HD21 ASN A 52 14.898 -13.568 5.099 1.00 2.03 H new ATOM 0 HD22 ASN A 52 13.782 -14.635 4.241 1.00 2.03 H new ATOM 784 N GLY A 53 9.632 -14.437 1.922 1.00 1.22 N ATOM 785 CA GLY A 53 8.358 -14.993 1.498 1.00 1.33 C ATOM 786 C GLY A 53 7.196 -14.579 2.382 1.00 0.94 C ATOM 787 O GLY A 53 6.414 -15.422 2.818 1.00 1.13 O ATOM 0 H GLY A 53 10.026 -13.745 1.285 1.00 1.22 H new ATOM 0 HA2 GLY A 53 8.156 -14.679 0.474 1.00 1.33 H new ATOM 0 HA3 GLY A 53 8.429 -16.081 1.490 1.00 1.33 H new ATOM 791 N GLY A 54 7.069 -13.283 2.638 1.00 0.62 N ATOM 792 CA GLY A 54 6.020 -12.813 3.520 1.00 0.72 C ATOM 793 C GLY A 54 4.906 -12.066 2.810 1.00 0.50 C ATOM 794 O GLY A 54 5.130 -10.979 2.277 1.00 0.89 O ATOM 0 H GLY A 54 7.670 -12.554 2.253 1.00 0.62 H new ATOM 0 HA2 GLY A 54 5.593 -13.666 4.047 1.00 0.72 H new ATOM 0 HA3 GLY A 54 6.459 -12.160 4.274 1.00 0.72 H new ATOM 798 N LEU A 55 3.712 -12.666 2.779 1.00 0.68 N ATOM 799 CA LEU A 55 2.498 -11.950 2.378 1.00 0.60 C ATOM 800 C LEU A 55 1.251 -12.813 2.480 1.00 0.60 C ATOM 801 O LEU A 55 1.193 -13.908 1.923 1.00 0.63 O ATOM 802 CB LEU A 55 2.555 -11.419 0.946 1.00 0.64 C ATOM 803 CG LEU A 55 1.371 -10.519 0.617 1.00 0.65 C ATOM 804 CD1 LEU A 55 1.427 -9.289 1.487 1.00 1.38 C ATOM 805 CD2 LEU A 55 1.329 -10.127 -0.842 1.00 1.19 C ATOM 0 H LEU A 55 3.561 -13.644 3.026 1.00 0.68 H new ATOM 0 HA LEU A 55 2.445 -11.117 3.079 1.00 0.60 H new ATOM 0 HB2 LEU A 55 3.482 -10.863 0.803 1.00 0.64 H new ATOM 0 HB3 LEU A 55 2.576 -12.258 0.250 1.00 0.64 H new ATOM 0 HG LEU A 55 0.459 -11.081 0.817 1.00 0.65 H new ATOM 0 HD11 LEU A 55 0.582 -8.641 1.256 1.00 1.38 H new ATOM 0 HD12 LEU A 55 1.383 -9.583 2.536 1.00 1.38 H new ATOM 0 HD13 LEU A 55 2.357 -8.753 1.299 1.00 1.38 H new ATOM 0 HD21 LEU A 55 0.466 -9.486 -1.022 1.00 1.19 H new ATOM 0 HD22 LEU A 55 2.241 -9.589 -1.101 1.00 1.19 H new ATOM 0 HD23 LEU A 55 1.250 -11.023 -1.457 1.00 1.19 H new ATOM 817 N PHE A 56 0.256 -12.299 3.186 1.00 0.62 N ATOM 818 CA PHE A 56 -1.098 -12.823 3.115 1.00 0.66 C ATOM 819 C PHE A 56 -2.058 -11.683 2.769 1.00 0.63 C ATOM 820 O PHE A 56 -2.509 -10.959 3.657 1.00 0.71 O ATOM 821 CB PHE A 56 -1.504 -13.488 4.432 1.00 0.78 C ATOM 822 CG PHE A 56 -0.685 -14.699 4.774 1.00 1.13 C ATOM 823 CD1 PHE A 56 0.302 -14.633 5.745 1.00 2.02 C ATOM 824 CD2 PHE A 56 -0.899 -15.902 4.121 1.00 1.07 C ATOM 825 CE1 PHE A 56 1.060 -15.746 6.058 1.00 2.87 C ATOM 826 CE2 PHE A 56 -0.145 -17.018 4.429 1.00 1.81 C ATOM 827 CZ PHE A 56 0.835 -16.940 5.400 1.00 2.74 C ATOM 0 H PHE A 56 0.364 -11.509 3.822 1.00 0.62 H new ATOM 0 HA PHE A 56 -1.142 -13.586 2.338 1.00 0.66 H new ATOM 0 HB2 PHE A 56 -1.415 -12.760 5.239 1.00 0.78 H new ATOM 0 HB3 PHE A 56 -2.554 -13.775 4.376 1.00 0.78 H new ATOM 0 HD1 PHE A 56 0.481 -13.702 6.263 1.00 2.02 H new ATOM 0 HD2 PHE A 56 -1.664 -15.968 3.362 1.00 1.07 H new ATOM 0 HE1 PHE A 56 1.827 -15.682 6.816 1.00 2.87 H new ATOM 0 HE2 PHE A 56 -0.321 -17.950 3.912 1.00 1.81 H new ATOM 0 HZ PHE A 56 1.424 -17.811 5.644 1.00 2.74 H new ATOM 837 N ILE A 57 -2.342 -11.510 1.479 1.00 0.57 N ATOM 838 CA ILE A 57 -3.186 -10.402 1.015 1.00 0.53 C ATOM 839 C ILE A 57 -4.657 -10.599 1.375 1.00 0.58 C ATOM 840 O ILE A 57 -4.993 -11.507 2.134 1.00 0.68 O ATOM 841 CB ILE A 57 -3.073 -10.169 -0.504 1.00 0.51 C ATOM 842 CG1 ILE A 57 -3.021 -11.489 -1.266 1.00 0.53 C ATOM 843 CG2 ILE A 57 -1.878 -9.289 -0.840 1.00 0.52 C ATOM 844 CD1 ILE A 57 -2.917 -11.290 -2.753 1.00 0.61 C ATOM 0 H ILE A 57 -2.002 -12.120 0.735 1.00 0.57 H new ATOM 0 HA ILE A 57 -2.808 -9.522 1.536 1.00 0.53 H new ATOM 0 HB ILE A 57 -3.971 -9.641 -0.823 1.00 0.51 H new ATOM 0 HG12 ILE A 57 -2.167 -12.072 -0.920 1.00 0.53 H new ATOM 0 HG13 ILE A 57 -3.916 -12.070 -1.042 1.00 0.53 H new ATOM 0 HG21 ILE A 57 -1.825 -9.143 -1.919 1.00 0.52 H new ATOM 0 HG22 ILE A 57 -1.988 -8.323 -0.348 1.00 0.52 H new ATOM 0 HG23 ILE A 57 -0.963 -9.770 -0.494 1.00 0.52 H new ATOM 0 HD11 ILE A 57 -2.883 -12.260 -3.248 1.00 0.61 H new ATOM 0 HD12 ILE A 57 -3.784 -10.732 -3.107 1.00 0.61 H new ATOM 0 HD13 ILE A 57 -2.008 -10.733 -2.983 1.00 0.61 H new ATOM 851 N MET A 58 -5.522 -9.736 0.807 1.00 0.56 N ATOM 852 CA MET A 58 -6.957 -9.711 1.131 1.00 0.61 C ATOM 853 C MET A 58 -7.532 -11.127 1.240 1.00 0.70 C ATOM 854 O MET A 58 -8.233 -11.455 2.198 1.00 0.79 O ATOM 855 CB MET A 58 -7.784 -8.979 0.057 1.00 0.75 C ATOM 856 CG MET A 58 -7.155 -7.760 -0.617 1.00 0.60 C ATOM 857 SD MET A 58 -8.449 -6.636 -1.218 1.00 0.77 S ATOM 858 CE MET A 58 -7.726 -5.933 -2.703 1.00 0.91 C ATOM 0 H MET A 58 -5.245 -9.041 0.114 1.00 0.56 H new ATOM 0 HA MET A 58 -7.028 -9.186 2.084 1.00 0.61 H new ATOM 0 HB2 MET A 58 -8.036 -9.700 -0.721 1.00 0.75 H new ATOM 0 HB3 MET A 58 -8.722 -8.663 0.514 1.00 0.75 H new ATOM 0 HG2 MET A 58 -6.509 -7.238 0.089 1.00 0.60 H new ATOM 0 HG3 MET A 58 -6.526 -8.079 -1.448 1.00 0.60 H new ATOM 0 HE1 MET A 58 -8.498 -5.418 -3.275 1.00 0.91 H new ATOM 0 HE2 MET A 58 -6.945 -5.224 -2.427 1.00 0.91 H new ATOM 0 HE3 MET A 58 -7.295 -6.729 -3.310 1.00 0.91 H new ATOM 868 N ASN A 59 -7.217 -11.958 0.249 1.00 0.78 N ATOM 869 CA ASN A 59 -7.813 -13.289 0.139 1.00 0.98 C ATOM 870 C ASN A 59 -6.837 -14.386 0.577 1.00 0.95 C ATOM 871 O ASN A 59 -7.247 -15.385 1.161 1.00 1.12 O ATOM 872 CB ASN A 59 -8.280 -13.530 -1.303 1.00 1.17 C ATOM 873 CG ASN A 59 -7.130 -13.744 -2.273 1.00 1.50 C ATOM 874 OD1 ASN A 59 -6.775 -14.864 -2.585 1.00 2.28 O ATOM 875 ND2 ASN A 59 -6.521 -12.671 -2.732 1.00 1.66 N ATOM 0 H ASN A 59 -6.552 -11.733 -0.491 1.00 0.78 H new ATOM 0 HA ASN A 59 -8.671 -13.332 0.810 1.00 0.98 H new ATOM 0 HB2 ASN A 59 -8.934 -14.402 -1.326 1.00 1.17 H new ATOM 0 HB3 ASN A 59 -8.873 -12.677 -1.634 1.00 1.17 H new ATOM 0 HD21 ASN A 59 -5.729 -12.767 -3.367 1.00 1.66 H new ATOM 0 HD22 ASN A 59 -6.841 -11.744 -2.453 1.00 1.66 H new ATOM 882 N GLY A 60 -5.551 -14.200 0.285 1.00 0.86 N ATOM 883 CA GLY A 60 -4.535 -15.144 0.730 1.00 0.96 C ATOM 884 C GLY A 60 -4.146 -16.169 -0.328 1.00 1.09 C ATOM 885 O GLY A 60 -3.072 -16.762 -0.249 1.00 1.21 O ATOM 0 H GLY A 60 -5.193 -13.411 -0.253 1.00 0.86 H new ATOM 0 HA2 GLY A 60 -3.645 -14.591 1.032 1.00 0.96 H new ATOM 0 HA3 GLY A 60 -4.900 -15.668 1.614 1.00 0.96 H new ATOM 889 N SER A 61 -4.996 -16.360 -1.328 1.00 1.15 N ATOM 890 CA SER A 61 -4.730 -17.326 -2.391 1.00 1.32 C ATOM 891 C SER A 61 -3.634 -16.831 -3.325 1.00 1.22 C ATOM 892 O SER A 61 -2.721 -17.581 -3.683 1.00 1.35 O ATOM 893 CB SER A 61 -6.001 -17.595 -3.185 1.00 1.51 C ATOM 894 OG SER A 61 -6.994 -18.194 -2.368 1.00 2.18 O ATOM 0 H SER A 61 -5.879 -15.858 -1.427 1.00 1.15 H new ATOM 0 HA SER A 61 -4.390 -18.251 -1.926 1.00 1.32 H new ATOM 0 HB2 SER A 61 -6.380 -16.660 -3.598 1.00 1.51 H new ATOM 0 HB3 SER A 61 -5.776 -18.248 -4.028 1.00 1.51 H new ATOM 0 HG SER A 61 -7.801 -18.356 -2.900 1.00 2.18 H new ATOM 900 N ARG A 62 -3.726 -15.568 -3.720 1.00 1.08 N ATOM 901 CA ARG A 62 -2.706 -14.946 -4.557 1.00 1.05 C ATOM 902 C ARG A 62 -1.531 -14.522 -3.680 1.00 1.03 C ATOM 903 O ARG A 62 -1.058 -13.386 -3.730 1.00 1.46 O ATOM 904 CB ARG A 62 -3.286 -13.736 -5.287 1.00 1.14 C ATOM 905 CG ARG A 62 -2.436 -13.255 -6.448 1.00 1.69 C ATOM 906 CD ARG A 62 -2.779 -11.828 -6.824 1.00 1.79 C ATOM 907 NE ARG A 62 -4.214 -11.643 -7.057 1.00 2.06 N ATOM 908 CZ ARG A 62 -4.728 -10.858 -8.005 1.00 2.25 C ATOM 909 NH1 ARG A 62 -3.931 -10.225 -8.857 1.00 2.23 N ATOM 910 NH2 ARG A 62 -6.045 -10.725 -8.108 1.00 2.89 N ATOM 0 H ARG A 62 -4.500 -14.951 -3.473 1.00 1.08 H new ATOM 0 HA ARG A 62 -2.362 -15.662 -5.303 1.00 1.05 H new ATOM 0 HB2 ARG A 62 -4.280 -13.989 -5.657 1.00 1.14 H new ATOM 0 HB3 ARG A 62 -3.409 -12.919 -4.576 1.00 1.14 H new ATOM 0 HG2 ARG A 62 -1.381 -13.320 -6.181 1.00 1.69 H new ATOM 0 HG3 ARG A 62 -2.588 -13.907 -7.308 1.00 1.69 H new ATOM 0 HD2 ARG A 62 -2.453 -11.157 -6.029 1.00 1.79 H new ATOM 0 HD3 ARG A 62 -2.229 -11.549 -7.723 1.00 1.79 H new ATOM 0 HE ARG A 62 -4.863 -12.148 -6.454 1.00 2.06 H new ATOM 0 HH11 ARG A 62 -2.920 -10.338 -8.789 1.00 2.23 H new ATOM 0 HH12 ARG A 62 -4.330 -9.626 -9.580 1.00 2.23 H new ATOM 0 HH21 ARG A 62 -6.660 -11.222 -7.464 1.00 2.89 H new ATOM 0 HH22 ARG A 62 -6.442 -10.126 -8.832 1.00 2.89 H new ATOM 924 N ARG A 63 -1.088 -15.458 -2.864 1.00 0.89 N ATOM 925 CA ARG A 63 -0.067 -15.220 -1.858 1.00 0.87 C ATOM 926 C ARG A 63 1.194 -14.617 -2.471 1.00 0.75 C ATOM 927 O ARG A 63 1.775 -15.183 -3.399 1.00 0.75 O ATOM 928 CB ARG A 63 0.263 -16.540 -1.154 1.00 0.98 C ATOM 929 CG ARG A 63 1.267 -16.410 -0.020 1.00 1.56 C ATOM 930 CD ARG A 63 1.503 -17.747 0.668 1.00 1.54 C ATOM 931 NE ARG A 63 2.129 -18.727 -0.221 1.00 2.34 N ATOM 932 CZ ARG A 63 1.605 -19.922 -0.508 1.00 2.60 C ATOM 933 NH1 ARG A 63 0.426 -20.277 -0.007 1.00 2.07 N ATOM 934 NH2 ARG A 63 2.270 -20.758 -1.295 1.00 3.59 N ATOM 0 H ARG A 63 -1.430 -16.419 -2.880 1.00 0.89 H new ATOM 0 HA ARG A 63 -0.453 -14.502 -1.135 1.00 0.87 H new ATOM 0 HB2 ARG A 63 -0.659 -16.969 -0.760 1.00 0.98 H new ATOM 0 HB3 ARG A 63 0.653 -17.243 -1.890 1.00 0.98 H new ATOM 0 HG2 ARG A 63 2.211 -16.028 -0.409 1.00 1.56 H new ATOM 0 HG3 ARG A 63 0.905 -15.684 0.707 1.00 1.56 H new ATOM 0 HD2 ARG A 63 2.136 -17.596 1.542 1.00 1.54 H new ATOM 0 HD3 ARG A 63 0.552 -18.141 1.027 1.00 1.54 H new ATOM 0 HE ARG A 63 3.022 -18.482 -0.649 1.00 2.34 H new ATOM 0 HH11 ARG A 63 -0.084 -19.636 0.600 1.00 2.07 H new ATOM 0 HH12 ARG A 63 0.031 -21.191 -0.230 1.00 2.07 H new ATOM 0 HH21 ARG A 63 3.176 -20.487 -1.677 1.00 3.59 H new ATOM 0 HH22 ARG A 63 1.875 -21.672 -1.518 1.00 3.59 H new ATOM 948 N ARG A 64 1.580 -13.453 -1.951 1.00 0.70 N ATOM 949 CA ARG A 64 2.838 -12.800 -2.307 1.00 0.62 C ATOM 950 C ARG A 64 2.836 -12.203 -3.710 1.00 0.57 C ATOM 951 O ARG A 64 3.694 -12.512 -4.534 1.00 0.77 O ATOM 952 CB ARG A 64 4.001 -13.764 -2.118 1.00 0.71 C ATOM 953 CG ARG A 64 4.661 -13.619 -0.771 1.00 0.77 C ATOM 954 CD ARG A 64 5.505 -12.368 -0.741 1.00 0.75 C ATOM 955 NE ARG A 64 6.893 -12.660 -1.102 1.00 1.06 N ATOM 956 CZ ARG A 64 7.412 -12.456 -2.318 1.00 1.34 C ATOM 957 NH1 ARG A 64 6.671 -11.933 -3.286 1.00 1.98 N ATOM 958 NH2 ARG A 64 8.665 -12.796 -2.574 1.00 1.56 N ATOM 0 H ARG A 64 1.027 -12.935 -1.269 1.00 0.70 H new ATOM 0 HA ARG A 64 2.958 -11.955 -1.629 1.00 0.62 H new ATOM 0 HB2 ARG A 64 3.643 -14.787 -2.235 1.00 0.71 H new ATOM 0 HB3 ARG A 64 4.740 -13.594 -2.901 1.00 0.71 H new ATOM 0 HG2 ARG A 64 3.903 -13.575 0.011 1.00 0.77 H new ATOM 0 HG3 ARG A 64 5.282 -14.491 -0.565 1.00 0.77 H new ATOM 0 HD2 ARG A 64 5.094 -11.631 -1.431 1.00 0.75 H new ATOM 0 HD3 ARG A 64 5.470 -11.926 0.255 1.00 0.75 H new ATOM 0 HE ARG A 64 7.503 -13.043 -0.380 1.00 1.06 H new ATOM 0 HH11 ARG A 64 5.699 -11.683 -3.106 1.00 1.98 H new ATOM 0 HH12 ARG A 64 7.074 -11.780 -4.211 1.00 1.98 H new ATOM 0 HH21 ARG A 64 9.239 -13.215 -1.843 1.00 1.56 H new ATOM 0 HH22 ARG A 64 9.057 -12.639 -3.503 1.00 1.56 H new ATOM 972 N THR A 65 1.879 -11.324 -3.957 1.00 0.44 N ATOM 973 CA THR A 65 1.873 -10.498 -5.157 1.00 0.40 C ATOM 974 C THR A 65 2.875 -9.345 -4.981 1.00 0.35 C ATOM 975 O THR A 65 2.973 -8.793 -3.891 1.00 0.33 O ATOM 976 CB THR A 65 0.448 -9.948 -5.434 1.00 0.40 C ATOM 977 OG1 THR A 65 0.454 -9.022 -6.532 1.00 0.41 O ATOM 978 CG2 THR A 65 -0.124 -9.271 -4.194 1.00 0.40 C ATOM 0 H THR A 65 1.087 -11.162 -3.335 1.00 0.44 H new ATOM 0 HA THR A 65 2.169 -11.104 -6.014 1.00 0.40 H new ATOM 0 HB THR A 65 -0.184 -10.797 -5.697 1.00 0.40 H new ATOM 0 HG1 THR A 65 -0.191 -8.305 -6.359 1.00 0.41 H new ATOM 0 HG21 THR A 65 -1.123 -8.894 -4.413 1.00 0.40 H new ATOM 0 HG22 THR A 65 -0.179 -9.992 -3.379 1.00 0.40 H new ATOM 0 HG23 THR A 65 0.521 -8.442 -3.902 1.00 0.40 H new ATOM 986 N PRO A 66 3.630 -8.973 -6.039 1.00 0.36 N ATOM 987 CA PRO A 66 4.732 -7.980 -5.966 1.00 0.35 C ATOM 988 C PRO A 66 4.347 -6.703 -5.240 1.00 0.27 C ATOM 989 O PRO A 66 4.948 -6.359 -4.220 1.00 0.26 O ATOM 990 CB PRO A 66 5.024 -7.676 -7.444 1.00 0.42 C ATOM 991 CG PRO A 66 3.849 -8.228 -8.178 1.00 0.44 C ATOM 992 CD PRO A 66 3.463 -9.448 -7.410 1.00 0.43 C ATOM 0 HA PRO A 66 5.581 -8.370 -5.405 1.00 0.35 H new ATOM 0 HB2 PRO A 66 5.131 -6.605 -7.615 1.00 0.42 H new ATOM 0 HB3 PRO A 66 5.952 -8.146 -7.770 1.00 0.42 H new ATOM 0 HG2 PRO A 66 3.031 -7.508 -8.215 1.00 0.44 H new ATOM 0 HG3 PRO A 66 4.105 -8.473 -9.209 1.00 0.44 H new ATOM 0 HD2 PRO A 66 2.439 -9.760 -7.617 1.00 0.43 H new ATOM 0 HD3 PRO A 66 4.107 -10.298 -7.634 1.00 0.43 H new ATOM 1000 N GLY A 67 3.332 -6.016 -5.749 1.00 0.25 N ATOM 1001 CA GLY A 67 2.855 -4.819 -5.092 1.00 0.21 C ATOM 1002 C GLY A 67 2.333 -5.135 -3.712 1.00 0.20 C ATOM 1003 O GLY A 67 2.591 -4.412 -2.756 1.00 0.23 O ATOM 0 H GLY A 67 2.833 -6.267 -6.603 1.00 0.25 H new ATOM 0 HA2 GLY A 67 3.663 -4.091 -5.022 1.00 0.21 H new ATOM 0 HA3 GLY A 67 2.065 -4.362 -5.688 1.00 0.21 H new ATOM 1007 N GLY A 68 1.642 -6.259 -3.617 1.00 0.23 N ATOM 1008 CA GLY A 68 1.067 -6.700 -2.365 1.00 0.28 C ATOM 1009 C GLY A 68 2.097 -6.895 -1.269 1.00 0.27 C ATOM 1010 O GLY A 68 1.796 -6.698 -0.095 1.00 0.30 O ATOM 0 H GLY A 68 1.467 -6.885 -4.403 1.00 0.23 H new ATOM 0 HA2 GLY A 68 0.329 -5.969 -2.035 1.00 0.28 H new ATOM 0 HA3 GLY A 68 0.537 -7.638 -2.527 1.00 0.28 H new ATOM 1014 N VAL A 69 3.310 -7.286 -1.646 1.00 0.27 N ATOM 1015 CA VAL A 69 4.383 -7.488 -0.679 1.00 0.27 C ATOM 1016 C VAL A 69 4.714 -6.182 0.018 1.00 0.24 C ATOM 1017 O VAL A 69 5.015 -6.155 1.209 1.00 0.23 O ATOM 1018 CB VAL A 69 5.656 -8.042 -1.341 1.00 0.31 C ATOM 1019 CG1 VAL A 69 6.717 -8.337 -0.305 1.00 0.64 C ATOM 1020 CG2 VAL A 69 5.345 -9.296 -2.116 1.00 0.74 C ATOM 0 H VAL A 69 3.574 -7.469 -2.614 1.00 0.27 H new ATOM 0 HA VAL A 69 4.028 -8.220 0.047 1.00 0.27 H new ATOM 0 HB VAL A 69 6.034 -7.283 -2.025 1.00 0.31 H new ATOM 0 HG11 VAL A 69 7.608 -8.728 -0.797 1.00 0.64 H new ATOM 0 HG12 VAL A 69 6.970 -7.421 0.228 1.00 0.64 H new ATOM 0 HG13 VAL A 69 6.340 -9.076 0.402 1.00 0.64 H new ATOM 0 HG21 VAL A 69 6.257 -9.674 -2.578 1.00 0.74 H new ATOM 0 HG22 VAL A 69 4.941 -10.050 -1.441 1.00 0.74 H new ATOM 0 HG23 VAL A 69 4.612 -9.072 -2.891 1.00 0.74 H new ATOM 1024 N PHE A 70 4.644 -5.095 -0.728 1.00 0.22 N ATOM 1025 CA PHE A 70 4.802 -3.781 -0.149 1.00 0.20 C ATOM 1026 C PHE A 70 3.646 -3.499 0.805 1.00 0.20 C ATOM 1027 O PHE A 70 3.828 -2.861 1.836 1.00 0.20 O ATOM 1028 CB PHE A 70 4.875 -2.713 -1.242 1.00 0.22 C ATOM 1029 CG PHE A 70 4.855 -1.311 -0.711 1.00 0.20 C ATOM 1030 CD1 PHE A 70 3.673 -0.718 -0.302 1.00 0.23 C ATOM 1031 CD2 PHE A 70 6.029 -0.580 -0.638 1.00 0.21 C ATOM 1032 CE1 PHE A 70 3.666 0.579 0.163 1.00 0.26 C ATOM 1033 CE2 PHE A 70 6.030 0.709 -0.179 1.00 0.24 C ATOM 1034 CZ PHE A 70 4.789 1.260 0.309 1.00 0.25 C ATOM 0 H PHE A 70 4.479 -5.100 -1.735 1.00 0.22 H new ATOM 0 HA PHE A 70 5.737 -3.751 0.410 1.00 0.20 H new ATOM 0 HB2 PHE A 70 5.786 -2.860 -1.822 1.00 0.22 H new ATOM 0 HB3 PHE A 70 4.036 -2.846 -1.926 1.00 0.22 H new ATOM 0 HD1 PHE A 70 2.749 -1.276 -0.348 1.00 0.23 H new ATOM 0 HD2 PHE A 70 6.958 -1.034 -0.948 1.00 0.21 H new ATOM 0 HE1 PHE A 70 2.726 1.048 0.413 1.00 0.26 H new ATOM 0 HE2 PHE A 70 6.935 1.298 -0.182 1.00 0.24 H new ATOM 0 HZ PHE A 70 4.778 2.226 0.792 1.00 0.25 H new ATOM 1044 N LEU A 71 2.452 -3.969 0.458 1.00 0.21 N ATOM 1045 CA LEU A 71 1.290 -3.779 1.326 1.00 0.24 C ATOM 1046 C LEU A 71 1.578 -4.426 2.670 1.00 0.24 C ATOM 1047 O LEU A 71 1.155 -3.940 3.718 1.00 0.26 O ATOM 1048 CB LEU A 71 -0.008 -4.392 0.757 1.00 0.31 C ATOM 1049 CG LEU A 71 -0.562 -3.856 -0.580 1.00 0.28 C ATOM 1050 CD1 LEU A 71 -1.829 -3.066 -0.362 1.00 0.32 C ATOM 1051 CD2 LEU A 71 0.442 -2.999 -1.303 1.00 0.30 C ATOM 0 H LEU A 71 2.262 -4.478 -0.405 1.00 0.21 H new ATOM 0 HA LEU A 71 1.128 -2.705 1.413 1.00 0.24 H new ATOM 0 HB2 LEU A 71 0.157 -5.463 0.640 1.00 0.31 H new ATOM 0 HB3 LEU A 71 -0.787 -4.270 1.509 1.00 0.31 H new ATOM 0 HG LEU A 71 -0.780 -4.726 -1.199 1.00 0.28 H new ATOM 0 HD11 LEU A 71 -2.199 -2.700 -1.320 1.00 0.32 H new ATOM 0 HD12 LEU A 71 -2.582 -3.706 0.097 1.00 0.32 H new ATOM 0 HD13 LEU A 71 -1.622 -2.221 0.295 1.00 0.32 H new ATOM 0 HD21 LEU A 71 0.010 -2.643 -2.238 1.00 0.30 H new ATOM 0 HD22 LEU A 71 0.709 -2.146 -0.679 1.00 0.30 H new ATOM 0 HD23 LEU A 71 1.335 -3.586 -1.516 1.00 0.30 H new ATOM 1063 N ASN A 72 2.314 -5.535 2.621 1.00 0.24 N ATOM 1064 CA ASN A 72 2.704 -6.264 3.819 1.00 0.27 C ATOM 1065 C ASN A 72 3.558 -5.383 4.726 1.00 0.26 C ATOM 1066 O ASN A 72 3.512 -5.506 5.953 1.00 0.34 O ATOM 1067 CB ASN A 72 3.487 -7.527 3.459 1.00 0.31 C ATOM 1068 CG ASN A 72 3.521 -8.514 4.608 1.00 0.46 C ATOM 1069 OD1 ASN A 72 2.573 -8.601 5.379 1.00 1.08 O ATOM 1070 ND2 ASN A 72 4.604 -9.260 4.729 1.00 0.67 N ATOM 0 H ASN A 72 2.654 -5.949 1.753 1.00 0.24 H new ATOM 0 HA ASN A 72 1.793 -6.550 4.345 1.00 0.27 H new ATOM 0 HB2 ASN A 72 3.034 -7.999 2.587 1.00 0.31 H new ATOM 0 HB3 ASN A 72 4.506 -7.256 3.182 1.00 0.31 H new ATOM 0 HD21 ASN A 72 4.673 -9.940 5.486 1.00 0.67 H new ATOM 0 HD22 ASN A 72 5.372 -9.156 4.065 1.00 0.67 H new ATOM 1077 N LEU A 73 4.299 -4.472 4.100 1.00 0.23 N ATOM 1078 CA LEU A 73 5.216 -3.581 4.801 1.00 0.25 C ATOM 1079 C LEU A 73 4.507 -2.752 5.846 1.00 0.36 C ATOM 1080 O LEU A 73 5.054 -2.495 6.911 1.00 0.46 O ATOM 1081 CB LEU A 73 5.908 -2.647 3.815 1.00 0.23 C ATOM 1082 CG LEU A 73 6.952 -3.306 2.931 1.00 0.20 C ATOM 1083 CD1 LEU A 73 7.500 -2.309 1.936 1.00 0.35 C ATOM 1084 CD2 LEU A 73 8.058 -3.864 3.798 1.00 0.27 C ATOM 0 H LEU A 73 4.279 -4.332 3.090 1.00 0.23 H new ATOM 0 HA LEU A 73 5.953 -4.211 5.300 1.00 0.25 H new ATOM 0 HB2 LEU A 73 5.151 -2.190 3.178 1.00 0.23 H new ATOM 0 HB3 LEU A 73 6.383 -1.841 4.374 1.00 0.23 H new ATOM 0 HG LEU A 73 6.494 -4.122 2.371 1.00 0.20 H new ATOM 0 HD11 LEU A 73 8.247 -2.794 1.309 1.00 0.35 H new ATOM 0 HD12 LEU A 73 6.689 -1.935 1.311 1.00 0.35 H new ATOM 0 HD13 LEU A 73 7.959 -1.477 2.470 1.00 0.35 H new ATOM 0 HD21 LEU A 73 8.810 -4.338 3.168 1.00 0.27 H new ATOM 0 HD22 LEU A 73 8.518 -3.055 4.366 1.00 0.27 H new ATOM 0 HD23 LEU A 73 7.644 -4.601 4.486 1.00 0.27 H new ATOM 1096 N LEU A 74 3.283 -2.352 5.548 1.00 0.41 N ATOM 1097 CA LEU A 74 2.513 -1.531 6.466 1.00 0.58 C ATOM 1098 C LEU A 74 2.289 -2.261 7.794 1.00 0.66 C ATOM 1099 O LEU A 74 2.055 -1.643 8.823 1.00 0.80 O ATOM 1100 CB LEU A 74 1.172 -1.122 5.843 1.00 0.63 C ATOM 1101 CG LEU A 74 1.239 -0.032 4.761 1.00 0.49 C ATOM 1102 CD1 LEU A 74 1.868 -0.561 3.481 1.00 1.08 C ATOM 1103 CD2 LEU A 74 -0.151 0.526 4.480 1.00 0.78 C ATOM 0 H LEU A 74 2.802 -2.582 4.679 1.00 0.41 H new ATOM 0 HA LEU A 74 3.086 -0.625 6.666 1.00 0.58 H new ATOM 0 HB2 LEU A 74 0.709 -2.009 5.410 1.00 0.63 H new ATOM 0 HB3 LEU A 74 0.514 -0.776 6.640 1.00 0.63 H new ATOM 0 HG LEU A 74 1.871 0.773 5.136 1.00 0.49 H new ATOM 0 HD11 LEU A 74 1.901 0.234 2.736 1.00 1.08 H new ATOM 0 HD12 LEU A 74 2.881 -0.905 3.689 1.00 1.08 H new ATOM 0 HD13 LEU A 74 1.274 -1.391 3.100 1.00 1.08 H new ATOM 0 HD21 LEU A 74 -0.085 1.296 3.712 1.00 0.78 H new ATOM 0 HD22 LEU A 74 -0.802 -0.277 4.134 1.00 0.78 H new ATOM 0 HD23 LEU A 74 -0.561 0.958 5.393 1.00 0.78 H new ATOM 1115 N LYS A 75 2.389 -3.581 7.776 1.00 0.66 N ATOM 1116 CA LYS A 75 2.193 -4.362 8.988 1.00 0.82 C ATOM 1117 C LYS A 75 3.515 -4.626 9.706 1.00 0.77 C ATOM 1118 O LYS A 75 3.572 -4.602 10.935 1.00 0.95 O ATOM 1119 CB LYS A 75 1.514 -5.693 8.679 1.00 1.04 C ATOM 1120 CG LYS A 75 0.011 -5.607 8.457 1.00 0.81 C ATOM 1121 CD LYS A 75 -0.360 -5.006 7.107 1.00 0.71 C ATOM 1122 CE LYS A 75 0.177 -5.821 5.931 1.00 0.70 C ATOM 1123 NZ LYS A 75 0.292 -7.275 6.246 1.00 1.93 N ATOM 0 H LYS A 75 2.603 -4.130 6.944 1.00 0.66 H new ATOM 0 HA LYS A 75 1.550 -3.773 9.643 1.00 0.82 H new ATOM 0 HB2 LYS A 75 1.974 -6.122 7.789 1.00 1.04 H new ATOM 0 HB3 LYS A 75 1.707 -6.382 9.501 1.00 1.04 H new ATOM 0 HG2 LYS A 75 -0.419 -6.605 8.534 1.00 0.81 H new ATOM 0 HG3 LYS A 75 -0.434 -5.006 9.250 1.00 0.81 H new ATOM 0 HD2 LYS A 75 -1.445 -4.937 7.031 1.00 0.71 H new ATOM 0 HD3 LYS A 75 0.029 -3.990 7.047 1.00 0.71 H new ATOM 0 HE2 LYS A 75 -0.481 -5.690 5.072 1.00 0.70 H new ATOM 0 HE3 LYS A 75 1.156 -5.437 5.644 1.00 0.70 H new ATOM 0 HZ1 LYS A 75 0.991 -7.713 5.613 1.00 1.93 H new ATOM 0 HZ2 LYS A 75 0.597 -7.393 7.233 1.00 1.93 H new ATOM 0 HZ3 LYS A 75 -0.632 -7.733 6.112 1.00 1.93 H new ATOM 1137 N ASN A 76 4.577 -4.880 8.945 1.00 0.64 N ATOM 1138 CA ASN A 76 5.858 -5.262 9.544 1.00 0.69 C ATOM 1139 C ASN A 76 6.758 -4.052 9.766 1.00 0.61 C ATOM 1140 O ASN A 76 7.805 -4.171 10.404 1.00 0.79 O ATOM 1141 CB ASN A 76 6.595 -6.302 8.681 1.00 0.81 C ATOM 1142 CG ASN A 76 7.119 -5.743 7.369 1.00 1.22 C ATOM 1143 OD1 ASN A 76 6.427 -5.765 6.357 1.00 1.80 O ATOM 1144 ND2 ASN A 76 8.351 -5.253 7.373 1.00 2.12 N ATOM 0 H ASN A 76 4.580 -4.830 7.926 1.00 0.64 H new ATOM 0 HA ASN A 76 5.629 -5.707 10.512 1.00 0.69 H new ATOM 0 HB2 ASN A 76 7.430 -6.709 9.252 1.00 0.81 H new ATOM 0 HB3 ASN A 76 5.919 -7.130 8.469 1.00 0.81 H new ATOM 0 HD21 ASN A 76 8.753 -4.877 6.514 1.00 2.12 H new ATOM 0 HD22 ASN A 76 8.897 -5.252 8.235 1.00 2.12 H new ATOM 1151 N THR A 77 6.350 -2.899 9.253 1.00 0.54 N ATOM 1152 CA THR A 77 7.152 -1.689 9.354 1.00 0.60 C ATOM 1153 C THR A 77 7.484 -1.361 10.812 1.00 0.56 C ATOM 1154 O THR A 77 6.606 -1.315 11.677 1.00 0.61 O ATOM 1155 CB THR A 77 6.461 -0.484 8.689 1.00 0.75 C ATOM 1156 OG1 THR A 77 7.276 0.687 8.827 1.00 0.94 O ATOM 1157 CG2 THR A 77 5.083 -0.238 9.288 1.00 0.78 C ATOM 0 H THR A 77 5.465 -2.777 8.761 1.00 0.54 H new ATOM 0 HA THR A 77 8.081 -1.885 8.819 1.00 0.60 H new ATOM 0 HB THR A 77 6.332 -0.709 7.630 1.00 0.75 H new ATOM 0 HG1 THR A 77 7.768 0.843 7.994 1.00 0.94 H new ATOM 0 HG21 THR A 77 4.621 0.619 8.798 1.00 0.78 H new ATOM 0 HG22 THR A 77 4.460 -1.120 9.141 1.00 0.78 H new ATOM 0 HG23 THR A 77 5.181 -0.037 10.355 1.00 0.78 H new ATOM 1165 N PRO A 78 8.771 -1.161 11.098 1.00 0.63 N ATOM 1166 CA PRO A 78 9.271 -0.940 12.449 1.00 0.67 C ATOM 1167 C PRO A 78 8.986 0.473 12.971 1.00 0.70 C ATOM 1168 O PRO A 78 9.102 0.730 14.168 1.00 0.84 O ATOM 1169 CB PRO A 78 10.789 -1.178 12.315 1.00 0.92 C ATOM 1170 CG PRO A 78 11.017 -1.609 10.899 1.00 1.00 C ATOM 1171 CD PRO A 78 9.854 -1.098 10.118 1.00 0.84 C ATOM 0 HA PRO A 78 8.784 -1.598 13.169 1.00 0.67 H new ATOM 0 HB2 PRO A 78 11.348 -0.270 12.541 1.00 0.92 H new ATOM 0 HB3 PRO A 78 11.127 -1.942 13.015 1.00 0.92 H new ATOM 0 HG2 PRO A 78 11.953 -1.204 10.514 1.00 1.00 H new ATOM 0 HG3 PRO A 78 11.087 -2.694 10.829 1.00 1.00 H new ATOM 0 HD2 PRO A 78 10.020 -0.082 9.759 1.00 0.84 H new ATOM 0 HD3 PRO A 78 9.648 -1.715 9.244 1.00 0.84 H new ATOM 1179 N SER A 79 8.620 1.385 12.072 1.00 0.75 N ATOM 1180 CA SER A 79 8.543 2.803 12.418 1.00 0.96 C ATOM 1181 C SER A 79 7.110 3.356 12.415 1.00 0.91 C ATOM 1182 O SER A 79 6.856 4.422 12.979 1.00 1.06 O ATOM 1183 CB SER A 79 9.391 3.608 11.433 1.00 1.23 C ATOM 1184 OG SER A 79 10.651 2.993 11.208 1.00 1.49 O ATOM 0 H SER A 79 8.374 1.170 11.106 1.00 0.75 H new ATOM 0 HA SER A 79 8.919 2.899 13.437 1.00 0.96 H new ATOM 0 HB2 SER A 79 8.858 3.705 10.487 1.00 1.23 H new ATOM 0 HB3 SER A 79 9.541 4.616 11.819 1.00 1.23 H new ATOM 0 HG SER A 79 11.318 3.680 11.002 1.00 1.49 H new ATOM 1190 N ILE A 80 6.179 2.653 11.788 1.00 0.76 N ATOM 1191 CA ILE A 80 4.852 3.215 11.538 1.00 0.76 C ATOM 1192 C ILE A 80 3.800 2.652 12.493 1.00 0.74 C ATOM 1193 O ILE A 80 3.809 1.467 12.818 1.00 0.67 O ATOM 1194 CB ILE A 80 4.413 2.964 10.082 1.00 0.69 C ATOM 1195 CG1 ILE A 80 5.525 3.387 9.116 1.00 0.89 C ATOM 1196 CG2 ILE A 80 3.131 3.725 9.777 1.00 0.76 C ATOM 1197 CD1 ILE A 80 5.282 2.968 7.681 1.00 1.21 C ATOM 0 H ILE A 80 6.311 1.702 11.444 1.00 0.76 H new ATOM 0 HA ILE A 80 4.929 4.288 11.712 1.00 0.76 H new ATOM 0 HB ILE A 80 4.222 1.899 9.953 1.00 0.69 H new ATOM 0 HG12 ILE A 80 5.634 4.471 9.154 1.00 0.89 H new ATOM 0 HG13 ILE A 80 6.469 2.960 9.454 1.00 0.89 H new ATOM 0 HG21 ILE A 80 2.834 3.538 8.745 1.00 0.76 H new ATOM 0 HG22 ILE A 80 2.341 3.390 10.449 1.00 0.76 H new ATOM 0 HG23 ILE A 80 3.299 4.793 9.918 1.00 0.76 H new ATOM 0 HD11 ILE A 80 6.112 3.303 7.059 1.00 1.21 H new ATOM 0 HD12 ILE A 80 5.204 1.882 7.627 1.00 1.21 H new ATOM 0 HD13 ILE A 80 4.355 3.417 7.323 1.00 1.21 H new ATOM 1204 N SER A 81 2.906 3.526 12.951 1.00 0.90 N ATOM 1205 CA SER A 81 1.848 3.154 13.885 1.00 1.01 C ATOM 1206 C SER A 81 0.629 2.573 13.158 1.00 0.88 C ATOM 1207 O SER A 81 0.383 2.863 11.985 1.00 0.74 O ATOM 1208 CB SER A 81 1.445 4.377 14.700 1.00 1.26 C ATOM 1209 OG SER A 81 2.563 4.907 15.393 1.00 1.79 O ATOM 0 H SER A 81 2.895 4.511 12.685 1.00 0.90 H new ATOM 0 HA SER A 81 2.231 2.378 14.548 1.00 1.01 H new ATOM 0 HB2 SER A 81 1.025 5.137 14.041 1.00 1.26 H new ATOM 0 HB3 SER A 81 0.665 4.106 15.411 1.00 1.26 H new ATOM 0 HG SER A 81 2.286 5.692 15.909 1.00 1.79 H new ATOM 1215 N GLU A 82 -0.145 1.781 13.904 1.00 0.99 N ATOM 1216 CA GLU A 82 -1.148 0.874 13.344 1.00 0.96 C ATOM 1217 C GLU A 82 -2.317 1.580 12.650 1.00 0.84 C ATOM 1218 O GLU A 82 -2.772 1.122 11.600 1.00 0.75 O ATOM 1219 CB GLU A 82 -1.685 -0.032 14.455 1.00 1.22 C ATOM 1220 CG GLU A 82 -2.605 -1.136 13.960 1.00 1.50 C ATOM 1221 CD GLU A 82 -3.181 -1.962 15.091 1.00 2.29 C ATOM 1222 OE1 GLU A 82 -4.403 -1.864 15.343 1.00 2.89 O ATOM 1223 OE2 GLU A 82 -2.414 -2.697 15.748 1.00 2.75 O ATOM 0 H GLU A 82 -0.092 1.752 14.922 1.00 0.99 H new ATOM 0 HA GLU A 82 -0.642 0.297 12.570 1.00 0.96 H new ATOM 0 HB2 GLU A 82 -0.843 -0.483 14.981 1.00 1.22 H new ATOM 0 HB3 GLU A 82 -2.224 0.579 15.179 1.00 1.22 H new ATOM 0 HG2 GLU A 82 -3.419 -0.695 13.385 1.00 1.50 H new ATOM 0 HG3 GLU A 82 -2.053 -1.788 13.283 1.00 1.50 H new ATOM 1230 N GLU A 83 -2.824 2.668 13.228 1.00 0.90 N ATOM 1231 CA GLU A 83 -4.021 3.313 12.681 1.00 0.87 C ATOM 1232 C GLU A 83 -3.780 3.842 11.272 1.00 0.74 C ATOM 1233 O GLU A 83 -4.588 3.609 10.369 1.00 0.73 O ATOM 1234 CB GLU A 83 -4.512 4.452 13.574 1.00 1.05 C ATOM 1235 CG GLU A 83 -5.733 5.155 12.999 1.00 1.30 C ATOM 1236 CD GLU A 83 -6.230 6.288 13.864 1.00 1.60 C ATOM 1237 OE1 GLU A 83 -5.489 7.280 14.030 1.00 1.98 O ATOM 1238 OE2 GLU A 83 -7.368 6.196 14.370 1.00 2.06 O ATOM 0 H GLU A 83 -2.436 3.116 14.058 1.00 0.90 H new ATOM 0 HA GLU A 83 -4.792 2.544 12.642 1.00 0.87 H new ATOM 0 HB2 GLU A 83 -4.754 4.058 14.561 1.00 1.05 H new ATOM 0 HB3 GLU A 83 -3.709 5.177 13.709 1.00 1.05 H new ATOM 0 HG2 GLU A 83 -5.489 5.542 12.010 1.00 1.30 H new ATOM 0 HG3 GLU A 83 -6.535 4.428 12.868 1.00 1.30 H new ATOM 1245 N GLN A 84 -2.662 4.537 11.088 1.00 0.73 N ATOM 1246 CA GLN A 84 -2.301 5.088 9.786 1.00 0.68 C ATOM 1247 C GLN A 84 -2.239 3.984 8.737 1.00 0.56 C ATOM 1248 O GLN A 84 -2.584 4.197 7.579 1.00 0.59 O ATOM 1249 CB GLN A 84 -0.961 5.822 9.870 1.00 0.76 C ATOM 1250 CG GLN A 84 -1.055 7.175 10.556 1.00 1.11 C ATOM 1251 CD GLN A 84 0.290 7.856 10.704 1.00 1.60 C ATOM 1252 OE1 GLN A 84 0.750 8.553 9.801 1.00 2.31 O ATOM 1253 NE2 GLN A 84 0.916 7.684 11.854 1.00 2.28 N ATOM 0 H GLN A 84 -1.987 4.733 11.828 1.00 0.73 H new ATOM 0 HA GLN A 84 -3.069 5.802 9.489 1.00 0.68 H new ATOM 0 HB2 GLN A 84 -0.247 5.199 10.409 1.00 0.76 H new ATOM 0 HB3 GLN A 84 -0.567 5.960 8.863 1.00 0.76 H new ATOM 0 HG2 GLN A 84 -1.722 7.820 9.985 1.00 1.11 H new ATOM 0 HG3 GLN A 84 -1.502 7.047 11.542 1.00 1.11 H new ATOM 0 HE21 GLN A 84 0.501 7.098 12.578 1.00 2.28 H new ATOM 0 HE22 GLN A 84 1.815 8.137 12.018 1.00 2.28 H new ATOM 1262 N ILE A 85 -1.825 2.802 9.168 1.00 0.50 N ATOM 1263 CA ILE A 85 -1.761 1.636 8.301 1.00 0.45 C ATOM 1264 C ILE A 85 -3.141 1.301 7.748 1.00 0.43 C ATOM 1265 O ILE A 85 -3.321 1.157 6.536 1.00 0.43 O ATOM 1266 CB ILE A 85 -1.210 0.422 9.073 1.00 0.46 C ATOM 1267 CG1 ILE A 85 0.197 0.731 9.589 1.00 0.51 C ATOM 1268 CG2 ILE A 85 -1.213 -0.829 8.213 1.00 0.47 C ATOM 1269 CD1 ILE A 85 1.150 1.211 8.513 1.00 1.41 C ATOM 0 H ILE A 85 -1.525 2.625 10.126 1.00 0.50 H new ATOM 0 HA ILE A 85 -1.093 1.869 7.472 1.00 0.45 H new ATOM 0 HB ILE A 85 -1.863 0.229 9.924 1.00 0.46 H new ATOM 0 HG12 ILE A 85 0.130 1.491 10.367 1.00 0.51 H new ATOM 0 HG13 ILE A 85 0.609 -0.165 10.053 1.00 0.51 H new ATOM 0 HG21 ILE A 85 -0.818 -1.667 8.788 1.00 0.47 H new ATOM 0 HG22 ILE A 85 -2.233 -1.053 7.899 1.00 0.47 H new ATOM 0 HG23 ILE A 85 -0.590 -0.667 7.333 1.00 0.47 H new ATOM 0 HD11 ILE A 85 2.127 1.410 8.954 1.00 1.41 H new ATOM 0 HD12 ILE A 85 1.248 0.444 7.745 1.00 1.41 H new ATOM 0 HD13 ILE A 85 0.762 2.125 8.065 1.00 1.41 H new ATOM 1276 N LYS A 86 -4.112 1.211 8.649 1.00 0.47 N ATOM 1277 CA LYS A 86 -5.489 0.896 8.284 1.00 0.50 C ATOM 1278 C LYS A 86 -6.041 1.933 7.311 1.00 0.41 C ATOM 1279 O LYS A 86 -6.762 1.594 6.372 1.00 0.47 O ATOM 1280 CB LYS A 86 -6.363 0.839 9.547 1.00 0.59 C ATOM 1281 CG LYS A 86 -7.846 0.612 9.277 1.00 0.71 C ATOM 1282 CD LYS A 86 -8.703 1.654 9.986 1.00 0.92 C ATOM 1283 CE LYS A 86 -8.393 3.052 9.476 1.00 1.90 C ATOM 1284 NZ LYS A 86 -9.173 4.108 10.166 1.00 2.45 N ATOM 0 H LYS A 86 -3.969 1.353 9.649 1.00 0.47 H new ATOM 0 HA LYS A 86 -5.504 -0.077 7.792 1.00 0.50 H new ATOM 0 HB2 LYS A 86 -5.997 0.040 10.192 1.00 0.59 H new ATOM 0 HB3 LYS A 86 -6.245 1.772 10.098 1.00 0.59 H new ATOM 0 HG2 LYS A 86 -8.033 0.653 8.204 1.00 0.71 H new ATOM 0 HG3 LYS A 86 -8.131 -0.385 9.612 1.00 0.71 H new ATOM 0 HD2 LYS A 86 -9.758 1.431 9.828 1.00 0.92 H new ATOM 0 HD3 LYS A 86 -8.525 1.607 11.060 1.00 0.92 H new ATOM 0 HE2 LYS A 86 -7.329 3.252 9.604 1.00 1.90 H new ATOM 0 HE3 LYS A 86 -8.599 3.096 8.407 1.00 1.90 H new ATOM 0 HZ1 LYS A 86 -8.919 5.038 9.776 1.00 2.45 H new ATOM 0 HZ2 LYS A 86 -10.189 3.938 10.023 1.00 2.45 H new ATOM 0 HZ3 LYS A 86 -8.959 4.089 11.183 1.00 2.45 H new ATOM 1298 N ASP A 87 -5.697 3.196 7.535 1.00 0.34 N ATOM 1299 CA ASP A 87 -6.222 4.283 6.715 1.00 0.31 C ATOM 1300 C ASP A 87 -5.729 4.191 5.278 1.00 0.29 C ATOM 1301 O ASP A 87 -6.443 4.559 4.344 1.00 0.35 O ATOM 1302 CB ASP A 87 -5.854 5.658 7.287 1.00 0.34 C ATOM 1303 CG ASP A 87 -6.623 6.022 8.544 1.00 1.00 C ATOM 1304 OD1 ASP A 87 -7.865 5.882 8.556 1.00 1.09 O ATOM 1305 OD2 ASP A 87 -5.990 6.483 9.519 1.00 1.70 O ATOM 0 H ASP A 87 -5.060 3.493 8.274 1.00 0.34 H new ATOM 0 HA ASP A 87 -7.307 4.176 6.726 1.00 0.31 H new ATOM 0 HB2 ASP A 87 -4.787 5.676 7.507 1.00 0.34 H new ATOM 0 HB3 ASP A 87 -6.036 6.418 6.527 1.00 0.34 H new ATOM 1310 N ILE A 88 -4.513 3.699 5.096 1.00 0.26 N ATOM 1311 CA ILE A 88 -3.902 3.680 3.780 1.00 0.27 C ATOM 1312 C ILE A 88 -4.565 2.668 2.842 1.00 0.31 C ATOM 1313 O ILE A 88 -5.281 3.052 1.919 1.00 0.36 O ATOM 1314 CB ILE A 88 -2.391 3.381 3.854 1.00 0.28 C ATOM 1315 CG1 ILE A 88 -1.683 4.444 4.693 1.00 0.36 C ATOM 1316 CG2 ILE A 88 -1.793 3.323 2.456 1.00 0.38 C ATOM 1317 CD1 ILE A 88 -0.205 4.184 4.897 1.00 0.42 C ATOM 0 H ILE A 88 -3.934 3.310 5.840 1.00 0.26 H new ATOM 0 HA ILE A 88 -4.051 4.680 3.373 1.00 0.27 H new ATOM 0 HB ILE A 88 -2.250 2.411 4.330 1.00 0.28 H new ATOM 0 HG12 ILE A 88 -1.808 5.414 4.212 1.00 0.36 H new ATOM 0 HG13 ILE A 88 -2.168 4.506 5.667 1.00 0.36 H new ATOM 0 HG21 ILE A 88 -0.726 3.111 2.525 1.00 0.38 H new ATOM 0 HG22 ILE A 88 -2.283 2.536 1.883 1.00 0.38 H new ATOM 0 HG23 ILE A 88 -1.941 4.281 1.957 1.00 0.38 H new ATOM 0 HD11 ILE A 88 0.225 4.982 5.502 1.00 0.42 H new ATOM 0 HD12 ILE A 88 -0.070 3.230 5.407 1.00 0.42 H new ATOM 0 HD13 ILE A 88 0.296 4.152 3.929 1.00 0.42 H new ATOM 1324 N PHE A 89 -4.347 1.385 3.092 1.00 0.33 N ATOM 1325 CA PHE A 89 -4.668 0.355 2.100 1.00 0.41 C ATOM 1326 C PHE A 89 -5.932 -0.434 2.435 1.00 0.44 C ATOM 1327 O PHE A 89 -6.436 -1.182 1.603 1.00 0.52 O ATOM 1328 CB PHE A 89 -3.476 -0.603 1.921 1.00 0.45 C ATOM 1329 CG PHE A 89 -3.079 -1.402 3.146 1.00 0.32 C ATOM 1330 CD1 PHE A 89 -2.143 -2.416 3.038 1.00 0.57 C ATOM 1331 CD2 PHE A 89 -3.631 -1.151 4.394 1.00 0.56 C ATOM 1332 CE1 PHE A 89 -1.770 -3.157 4.140 1.00 0.75 C ATOM 1333 CE2 PHE A 89 -3.262 -1.890 5.497 1.00 0.49 C ATOM 1334 CZ PHE A 89 -2.331 -2.895 5.371 1.00 0.51 C ATOM 0 H PHE A 89 -3.953 1.029 3.963 1.00 0.33 H new ATOM 0 HA PHE A 89 -4.867 0.878 1.165 1.00 0.41 H new ATOM 0 HB2 PHE A 89 -3.713 -1.300 1.117 1.00 0.45 H new ATOM 0 HB3 PHE A 89 -2.613 -0.022 1.595 1.00 0.45 H new ATOM 0 HD1 PHE A 89 -1.698 -2.630 2.077 1.00 0.57 H new ATOM 0 HD2 PHE A 89 -4.362 -0.363 4.503 1.00 0.56 H new ATOM 0 HE1 PHE A 89 -1.037 -3.944 4.038 1.00 0.75 H new ATOM 0 HE2 PHE A 89 -3.704 -1.680 6.460 1.00 0.49 H new ATOM 0 HZ PHE A 89 -2.041 -3.476 6.234 1.00 0.51 H new ATOM 1344 N TYR A 90 -6.443 -0.262 3.639 1.00 0.44 N ATOM 1345 CA TYR A 90 -7.568 -1.064 4.101 1.00 0.53 C ATOM 1346 C TYR A 90 -8.897 -0.401 3.739 1.00 0.56 C ATOM 1347 O TYR A 90 -9.935 -1.059 3.652 1.00 0.71 O ATOM 1348 CB TYR A 90 -7.453 -1.277 5.610 1.00 0.56 C ATOM 1349 CG TYR A 90 -8.568 -2.092 6.221 1.00 0.70 C ATOM 1350 CD1 TYR A 90 -9.451 -1.496 7.106 1.00 0.78 C ATOM 1351 CD2 TYR A 90 -8.738 -3.446 5.928 1.00 0.77 C ATOM 1352 CE1 TYR A 90 -10.470 -2.211 7.691 1.00 0.93 C ATOM 1353 CE2 TYR A 90 -9.763 -4.170 6.511 1.00 0.91 C ATOM 1354 CZ TYR A 90 -10.625 -3.549 7.392 1.00 0.96 C ATOM 1355 OH TYR A 90 -11.643 -4.270 7.977 1.00 1.13 O ATOM 0 H TYR A 90 -6.102 0.422 4.315 1.00 0.44 H new ATOM 0 HA TYR A 90 -7.543 -2.034 3.604 1.00 0.53 H new ATOM 0 HB2 TYR A 90 -6.504 -1.769 5.822 1.00 0.56 H new ATOM 0 HB3 TYR A 90 -7.423 -0.303 6.099 1.00 0.56 H new ATOM 0 HD1 TYR A 90 -9.337 -0.448 7.342 1.00 0.78 H new ATOM 0 HD2 TYR A 90 -8.063 -3.933 5.240 1.00 0.77 H new ATOM 0 HE1 TYR A 90 -11.146 -1.727 8.381 1.00 0.93 H new ATOM 0 HE2 TYR A 90 -9.888 -5.217 6.278 1.00 0.91 H new ATOM 0 HH TYR A 90 -11.613 -5.196 7.659 1.00 1.13 H new ATOM 1365 N ILE A 91 -8.857 0.906 3.525 1.00 0.48 N ATOM 1366 CA ILE A 91 -10.053 1.653 3.165 1.00 0.53 C ATOM 1367 C ILE A 91 -10.247 1.672 1.648 1.00 0.61 C ATOM 1368 O ILE A 91 -11.379 1.728 1.157 1.00 0.86 O ATOM 1369 CB ILE A 91 -9.990 3.103 3.692 1.00 0.50 C ATOM 1370 CG1 ILE A 91 -9.725 3.114 5.200 1.00 0.47 C ATOM 1371 CG2 ILE A 91 -11.285 3.838 3.384 1.00 0.60 C ATOM 1372 CD1 ILE A 91 -9.631 4.506 5.784 1.00 0.51 C ATOM 0 H ILE A 91 -8.010 1.471 3.594 1.00 0.48 H new ATOM 0 HA ILE A 91 -10.900 1.148 3.629 1.00 0.53 H new ATOM 0 HB ILE A 91 -9.169 3.615 3.189 1.00 0.50 H new ATOM 0 HG12 ILE A 91 -10.522 2.569 5.705 1.00 0.47 H new ATOM 0 HG13 ILE A 91 -8.797 2.580 5.402 1.00 0.47 H new ATOM 0 HG21 ILE A 91 -11.223 4.858 3.762 1.00 0.60 H new ATOM 0 HG22 ILE A 91 -11.443 3.860 2.306 1.00 0.60 H new ATOM 0 HG23 ILE A 91 -12.118 3.323 3.863 1.00 0.60 H new ATOM 0 HD11 ILE A 91 -9.442 4.439 6.855 1.00 0.51 H new ATOM 0 HD12 ILE A 91 -8.815 5.047 5.305 1.00 0.51 H new ATOM 0 HD13 ILE A 91 -10.568 5.036 5.613 1.00 0.51 H new ATOM 1379 N GLU A 92 -9.127 1.596 0.924 1.00 0.75 N ATOM 1380 CA GLU A 92 -9.111 1.666 -0.539 1.00 0.96 C ATOM 1381 C GLU A 92 -9.679 2.996 -1.033 1.00 1.58 C ATOM 1382 O GLU A 92 -8.926 3.937 -1.288 1.00 2.19 O ATOM 1383 CB GLU A 92 -9.868 0.485 -1.161 1.00 1.17 C ATOM 1384 CG GLU A 92 -9.207 -0.862 -0.908 1.00 1.55 C ATOM 1385 CD GLU A 92 -7.895 -1.021 -1.651 1.00 2.04 C ATOM 1386 OE1 GLU A 92 -7.813 -1.895 -2.540 1.00 2.67 O ATOM 1387 OE2 GLU A 92 -6.937 -0.270 -1.359 1.00 2.38 O ATOM 0 H GLU A 92 -8.202 1.484 1.338 1.00 0.75 H new ATOM 0 HA GLU A 92 -8.071 1.603 -0.860 1.00 0.96 H new ATOM 0 HB2 GLU A 92 -10.882 0.463 -0.762 1.00 1.17 H new ATOM 0 HB3 GLU A 92 -9.952 0.643 -2.236 1.00 1.17 H new ATOM 0 HG2 GLU A 92 -9.031 -0.980 0.161 1.00 1.55 H new ATOM 0 HG3 GLU A 92 -9.888 -1.658 -1.208 1.00 1.55 H new ATOM 1394 N ASN A 93 -11.002 3.078 -1.135 1.00 1.94 N ATOM 1395 CA ASN A 93 -11.674 4.301 -1.569 1.00 2.83 C ATOM 1396 C ASN A 93 -13.144 4.272 -1.160 1.00 2.76 C ATOM 1397 O ASN A 93 -13.966 5.008 -1.702 1.00 3.14 O ATOM 1398 CB ASN A 93 -11.556 4.502 -3.094 1.00 3.68 C ATOM 1399 CG ASN A 93 -12.375 3.511 -3.915 1.00 4.14 C ATOM 1400 OD1 ASN A 93 -12.908 3.859 -4.970 1.00 4.70 O ATOM 1401 ND2 ASN A 93 -12.454 2.269 -3.467 1.00 4.34 N ATOM 0 H ASN A 93 -11.635 2.307 -0.922 1.00 1.94 H new ATOM 0 HA ASN A 93 -11.180 5.140 -1.079 1.00 2.83 H new ATOM 0 HB2 ASN A 93 -11.874 5.514 -3.342 1.00 3.68 H new ATOM 0 HB3 ASN A 93 -10.508 4.418 -3.381 1.00 3.68 H new ATOM 0 HD21 ASN A 93 -12.968 1.567 -3.999 1.00 4.34 H new ATOM 0 HD22 ASN A 93 -12.001 2.014 -2.589 1.00 4.34 H new ATOM 1408 N GLN A 94 -13.466 3.432 -0.180 1.00 2.37 N ATOM 1409 CA GLN A 94 -14.853 3.238 0.232 1.00 2.42 C ATOM 1410 C GLN A 94 -15.288 4.301 1.241 1.00 3.02 C ATOM 1411 O GLN A 94 -15.674 3.989 2.369 1.00 3.44 O ATOM 1412 CB GLN A 94 -15.044 1.837 0.817 1.00 2.07 C ATOM 1413 CG GLN A 94 -14.811 0.728 -0.197 1.00 2.52 C ATOM 1414 CD GLN A 94 -15.025 -0.657 0.379 1.00 2.96 C ATOM 1415 OE1 GLN A 94 -16.186 -1.119 0.423 1.00 3.67 O ATOM 1416 NE2 GLN A 94 -14.030 -1.297 0.781 1.00 3.11 N ATOM 0 H GLN A 94 -12.788 2.877 0.342 1.00 2.37 H new ATOM 0 HA GLN A 94 -15.482 3.340 -0.652 1.00 2.42 H new ATOM 0 HB2 GLN A 94 -14.360 1.704 1.655 1.00 2.07 H new ATOM 0 HB3 GLN A 94 -16.055 1.751 1.214 1.00 2.07 H new ATOM 0 HG2 GLN A 94 -15.482 0.871 -1.044 1.00 2.52 H new ATOM 0 HG3 GLN A 94 -13.794 0.802 -0.581 1.00 2.52 H new ATOM 0 HE21 GLN A 94 -13.100 -0.881 0.726 1.00 3.11 H new ATOM 0 HE22 GLN A 94 -14.148 -2.235 1.164 1.00 3.11 H new ATOM 1423 N LYS A 95 -15.217 5.557 0.823 1.00 3.52 N ATOM 1424 CA LYS A 95 -15.637 6.680 1.648 1.00 4.35 C ATOM 1425 C LYS A 95 -16.228 7.784 0.783 1.00 4.75 C ATOM 1426 O LYS A 95 -15.610 8.206 -0.196 1.00 5.04 O ATOM 1427 CB LYS A 95 -14.463 7.246 2.458 1.00 5.09 C ATOM 1428 CG LYS A 95 -14.230 6.560 3.796 1.00 5.76 C ATOM 1429 CD LYS A 95 -15.445 6.688 4.704 1.00 6.54 C ATOM 1430 CE LYS A 95 -15.144 6.239 6.126 1.00 7.28 C ATOM 1431 NZ LYS A 95 -14.238 7.189 6.830 1.00 7.97 N ATOM 0 H LYS A 95 -14.867 5.826 -0.097 1.00 3.52 H new ATOM 0 HA LYS A 95 -16.395 6.313 2.340 1.00 4.35 H new ATOM 0 HB2 LYS A 95 -13.555 7.167 1.861 1.00 5.09 H new ATOM 0 HB3 LYS A 95 -14.638 8.307 2.634 1.00 5.09 H new ATOM 0 HG2 LYS A 95 -14.006 5.506 3.632 1.00 5.76 H new ATOM 0 HG3 LYS A 95 -13.360 6.999 4.285 1.00 5.76 H new ATOM 0 HD2 LYS A 95 -15.782 7.725 4.715 1.00 6.54 H new ATOM 0 HD3 LYS A 95 -16.263 6.091 4.301 1.00 6.54 H new ATOM 0 HE2 LYS A 95 -16.077 6.147 6.683 1.00 7.28 H new ATOM 0 HE3 LYS A 95 -14.687 5.250 6.105 1.00 7.28 H new ATOM 0 HZ1 LYS A 95 -14.232 6.974 7.847 1.00 7.97 H new ATOM 0 HZ2 LYS A 95 -13.274 7.095 6.451 1.00 7.97 H new ATOM 0 HZ3 LYS A 95 -14.574 8.162 6.684 1.00 7.97 H new ATOM 1445 N GLU A 96 -17.439 8.213 1.140 1.00 5.12 N ATOM 1446 CA GLU A 96 -18.090 9.381 0.541 1.00 5.69 C ATOM 1447 C GLU A 96 -18.577 9.121 -0.887 1.00 6.08 C ATOM 1448 O GLU A 96 -19.782 9.085 -1.144 1.00 6.57 O ATOM 1449 CB GLU A 96 -17.158 10.601 0.563 1.00 6.14 C ATOM 1450 CG GLU A 96 -16.779 11.061 1.962 1.00 6.47 C ATOM 1451 CD GLU A 96 -17.960 11.612 2.737 1.00 7.00 C ATOM 1452 OE1 GLU A 96 -18.662 10.877 3.433 1.00 7.18 O ATOM 1453 OE2 GLU A 96 -18.180 12.914 2.628 1.00 7.59 O ATOM 0 H GLU A 96 -18.001 7.757 1.859 1.00 5.12 H new ATOM 0 HA GLU A 96 -18.969 9.588 1.152 1.00 5.69 H new ATOM 0 HB2 GLU A 96 -16.249 10.362 0.011 1.00 6.14 H new ATOM 0 HB3 GLU A 96 -17.642 11.425 0.039 1.00 6.14 H new ATOM 0 HG2 GLU A 96 -16.348 10.224 2.511 1.00 6.47 H new ATOM 0 HG3 GLU A 96 -16.007 11.827 1.891 1.00 6.47 H new ATOM 1461 N TYR A 97 -17.646 8.930 -1.810 1.00 6.14 N ATOM 1462 CA TYR A 97 -17.979 8.879 -3.228 1.00 6.80 C ATOM 1463 C TYR A 97 -18.139 7.447 -3.722 1.00 7.49 C ATOM 1464 O TYR A 97 -17.222 6.860 -4.300 1.00 8.00 O ATOM 1465 CB TYR A 97 -16.914 9.622 -4.040 1.00 7.07 C ATOM 1466 CG TYR A 97 -16.764 11.070 -3.623 1.00 7.17 C ATOM 1467 CD1 TYR A 97 -15.609 11.509 -2.989 1.00 7.46 C ATOM 1468 CD2 TYR A 97 -17.771 11.997 -3.869 1.00 7.30 C ATOM 1469 CE1 TYR A 97 -15.459 12.828 -2.614 1.00 7.94 C ATOM 1470 CE2 TYR A 97 -17.628 13.321 -3.495 1.00 7.76 C ATOM 1471 CZ TYR A 97 -16.509 13.728 -2.846 1.00 8.09 C ATOM 1472 OH TYR A 97 -16.319 15.047 -2.497 1.00 8.84 O ATOM 0 H TYR A 97 -16.655 8.808 -1.604 1.00 6.14 H new ATOM 0 HA TYR A 97 -18.941 9.372 -3.367 1.00 6.80 H new ATOM 0 HB2 TYR A 97 -15.956 9.114 -3.925 1.00 7.07 H new ATOM 0 HB3 TYR A 97 -17.174 9.578 -5.098 1.00 7.07 H new ATOM 0 HD1 TYR A 97 -14.815 10.806 -2.786 1.00 7.46 H new ATOM 0 HD2 TYR A 97 -18.679 11.678 -4.360 1.00 7.30 H new ATOM 0 HE1 TYR A 97 -14.544 13.163 -2.148 1.00 7.94 H new ATOM 0 HE2 TYR A 97 -18.409 14.032 -3.720 1.00 7.76 H new ATOM 0 HH TYR A 97 -17.125 15.562 -2.713 1.00 8.84 H new ATOM 1482 N GLU A 98 -19.319 6.893 -3.476 1.00 7.81 N ATOM 1483 CA GLU A 98 -19.684 5.577 -3.980 1.00 8.76 C ATOM 1484 C GLU A 98 -20.605 5.728 -5.189 1.00 9.40 C ATOM 1485 O GLU A 98 -21.035 6.839 -5.507 1.00 9.62 O ATOM 1486 CB GLU A 98 -20.347 4.755 -2.865 1.00 9.12 C ATOM 1487 CG GLU A 98 -21.496 5.467 -2.166 1.00 9.29 C ATOM 1488 CD GLU A 98 -22.854 5.032 -2.673 1.00 9.68 C ATOM 1489 OE1 GLU A 98 -23.422 4.070 -2.116 1.00 9.77 O ATOM 1490 OE2 GLU A 98 -23.354 5.655 -3.634 1.00 10.06 O ATOM 0 H GLU A 98 -20.048 7.343 -2.923 1.00 7.81 H new ATOM 0 HA GLU A 98 -18.789 5.043 -4.300 1.00 8.76 H new ATOM 0 HB2 GLU A 98 -20.716 3.821 -3.288 1.00 9.12 H new ATOM 0 HB3 GLU A 98 -19.592 4.493 -2.124 1.00 9.12 H new ATOM 0 HG2 GLU A 98 -21.436 5.277 -1.094 1.00 9.29 H new ATOM 0 HG3 GLU A 98 -21.389 6.543 -2.306 1.00 9.29 H new ATOM 1497 N ASN A 99 -20.906 4.630 -5.871 1.00 9.90 N ATOM 1498 CA ASN A 99 -21.694 4.703 -7.097 1.00 10.68 C ATOM 1499 C ASN A 99 -22.992 3.913 -6.959 1.00 11.69 C ATOM 1500 O ASN A 99 -23.164 2.866 -7.584 1.00 12.32 O ATOM 1501 CB ASN A 99 -20.879 4.180 -8.289 1.00 11.03 C ATOM 1502 CG ASN A 99 -21.488 4.552 -9.632 1.00 11.14 C ATOM 1503 OD1 ASN A 99 -21.187 5.605 -10.192 1.00 11.43 O ATOM 1504 ND2 ASN A 99 -22.345 3.692 -10.161 1.00 11.13 N ATOM 0 H ASN A 99 -20.621 3.689 -5.601 1.00 9.90 H new ATOM 0 HA ASN A 99 -21.947 5.748 -7.275 1.00 10.68 H new ATOM 0 HB2 ASN A 99 -19.866 4.578 -8.233 1.00 11.03 H new ATOM 0 HB3 ASN A 99 -20.799 3.095 -8.220 1.00 11.03 H new ATOM 0 HD21 ASN A 99 -22.779 3.893 -11.062 1.00 11.13 H new ATOM 0 HD22 ASN A 99 -22.571 2.828 -9.668 1.00 11.13 H new ATOM 1511 N LYS A 100 -23.896 4.401 -6.124 1.00 11.98 N ATOM 1512 CA LYS A 100 -25.203 3.780 -5.972 1.00 13.07 C ATOM 1513 C LYS A 100 -26.283 4.661 -6.593 1.00 13.68 C ATOM 1514 O LYS A 100 -26.854 5.524 -5.928 1.00 14.02 O ATOM 1515 CB LYS A 100 -25.507 3.540 -4.494 1.00 13.27 C ATOM 1516 CG LYS A 100 -26.786 2.758 -4.233 1.00 13.25 C ATOM 1517 CD LYS A 100 -27.072 2.627 -2.741 1.00 13.72 C ATOM 1518 CE LYS A 100 -26.225 1.551 -2.069 1.00 13.68 C ATOM 1519 NZ LYS A 100 -24.763 1.819 -2.157 1.00 13.48 N ATOM 0 H LYS A 100 -23.749 5.225 -5.541 1.00 11.98 H new ATOM 0 HA LYS A 100 -25.193 2.820 -6.489 1.00 13.07 H new ATOM 0 HB2 LYS A 100 -24.670 3.004 -4.046 1.00 13.27 H new ATOM 0 HB3 LYS A 100 -25.575 4.503 -3.989 1.00 13.27 H new ATOM 0 HG2 LYS A 100 -27.623 3.256 -4.722 1.00 13.25 H new ATOM 0 HG3 LYS A 100 -26.703 1.766 -4.676 1.00 13.25 H new ATOM 0 HD2 LYS A 100 -26.887 3.585 -2.255 1.00 13.72 H new ATOM 0 HD3 LYS A 100 -28.127 2.395 -2.597 1.00 13.72 H new ATOM 0 HE2 LYS A 100 -26.512 1.474 -1.020 1.00 13.68 H new ATOM 0 HE3 LYS A 100 -26.440 0.587 -2.530 1.00 13.68 H new ATOM 0 HZ1 LYS A 100 -24.271 1.314 -1.393 1.00 13.48 H new ATOM 0 HZ2 LYS A 100 -24.404 1.490 -3.076 1.00 13.48 H new ATOM 0 HZ3 LYS A 100 -24.591 2.840 -2.064 1.00 13.48 H new ATOM 1533 N LYS A 101 -26.557 4.442 -7.871 1.00 13.99 N ATOM 1534 CA LYS A 101 -27.570 5.216 -8.578 1.00 14.68 C ATOM 1535 C LYS A 101 -28.960 4.659 -8.307 1.00 15.38 C ATOM 1536 O LYS A 101 -29.966 5.348 -8.485 1.00 15.92 O ATOM 1537 CB LYS A 101 -27.299 5.227 -10.086 1.00 14.95 C ATOM 1538 CG LYS A 101 -26.328 6.309 -10.535 1.00 14.61 C ATOM 1539 CD LYS A 101 -24.943 6.122 -9.940 1.00 14.58 C ATOM 1540 CE LYS A 101 -24.010 7.253 -10.342 1.00 14.51 C ATOM 1541 NZ LYS A 101 -23.868 7.359 -11.816 1.00 14.74 N ATOM 0 H LYS A 101 -26.092 3.735 -8.441 1.00 13.99 H new ATOM 0 HA LYS A 101 -27.522 6.240 -8.208 1.00 14.68 H new ATOM 0 HB2 LYS A 101 -26.904 4.255 -10.380 1.00 14.95 H new ATOM 0 HB3 LYS A 101 -28.244 5.360 -10.613 1.00 14.95 H new ATOM 0 HG2 LYS A 101 -26.258 6.303 -11.623 1.00 14.61 H new ATOM 0 HG3 LYS A 101 -26.716 7.286 -10.246 1.00 14.61 H new ATOM 0 HD2 LYS A 101 -25.015 6.077 -8.853 1.00 14.58 H new ATOM 0 HD3 LYS A 101 -24.528 5.170 -10.272 1.00 14.58 H new ATOM 0 HE2 LYS A 101 -24.390 8.195 -9.946 1.00 14.51 H new ATOM 0 HE3 LYS A 101 -23.030 7.091 -9.894 1.00 14.51 H new ATOM 0 HZ1 LYS A 101 -23.079 7.997 -12.044 1.00 14.74 H new ATOM 0 HZ2 LYS A 101 -23.678 6.418 -12.215 1.00 14.74 H new ATOM 0 HZ3 LYS A 101 -24.747 7.737 -12.223 1.00 14.74 H new ATOM 1555 N ALA A 102 -29.011 3.412 -7.859 1.00 15.51 N ATOM 1556 CA ALA A 102 -30.282 2.760 -7.574 1.00 16.31 C ATOM 1557 C ALA A 102 -30.787 3.129 -6.184 1.00 16.81 C ATOM 1558 O ALA A 102 -31.790 2.594 -5.717 1.00 17.13 O ATOM 1559 CB ALA A 102 -30.147 1.253 -7.711 1.00 16.32 C ATOM 0 H ALA A 102 -28.189 2.833 -7.685 1.00 15.51 H new ATOM 0 HA ALA A 102 -31.014 3.111 -8.301 1.00 16.31 H new ATOM 0 HB1 ALA A 102 -31.105 0.781 -7.495 1.00 16.32 H new ATOM 0 HB2 ALA A 102 -29.842 1.006 -8.728 1.00 16.32 H new ATOM 0 HB3 ALA A 102 -29.397 0.890 -7.009 1.00 16.32 H new ATOM 1565 N ALA A 103 -30.087 4.052 -5.534 1.00 17.02 N ATOM 1566 CA ALA A 103 -30.468 4.520 -4.209 1.00 17.63 C ATOM 1567 C ALA A 103 -31.682 5.436 -4.290 1.00 17.83 C ATOM 1568 O ALA A 103 -31.548 6.655 -4.415 1.00 18.06 O ATOM 1569 CB ALA A 103 -29.307 5.247 -3.547 1.00 17.70 C ATOM 0 H ALA A 103 -29.247 4.493 -5.908 1.00 17.02 H new ATOM 0 HA ALA A 103 -30.729 3.652 -3.604 1.00 17.63 H new ATOM 0 HB1 ALA A 103 -29.609 5.590 -2.558 1.00 17.70 H new ATOM 0 HB2 ALA A 103 -28.459 4.568 -3.453 1.00 17.70 H new ATOM 0 HB3 ALA A 103 -29.020 6.104 -4.156 1.00 17.70 H new ATOM 1575 N ARG A 104 -32.864 4.846 -4.246 1.00 17.87 N ATOM 1576 CA ARG A 104 -34.094 5.614 -4.254 1.00 18.23 C ATOM 1577 C ARG A 104 -34.690 5.638 -2.855 1.00 18.52 C ATOM 1578 O ARG A 104 -34.404 6.594 -2.108 1.00 18.73 O ATOM 1579 CB ARG A 104 -35.099 5.031 -5.252 1.00 18.28 C ATOM 1580 CG ARG A 104 -36.357 5.875 -5.403 1.00 18.06 C ATOM 1581 CD ARG A 104 -36.020 7.283 -5.868 1.00 18.33 C ATOM 1582 NE ARG A 104 -37.164 8.186 -5.784 1.00 18.68 N ATOM 1583 CZ ARG A 104 -37.123 9.382 -5.197 1.00 19.07 C ATOM 1584 NH1 ARG A 104 -35.999 9.813 -4.629 1.00 19.15 N ATOM 1585 NH2 ARG A 104 -38.209 10.140 -5.182 1.00 19.51 N ATOM 1586 OXT ARG A 104 -35.405 4.684 -2.493 1.00 18.65 O ATOM 0 H ARG A 104 -32.997 3.836 -4.204 1.00 17.87 H new ATOM 0 HA ARG A 104 -33.866 6.633 -4.566 1.00 18.23 H new ATOM 0 HB2 ARG A 104 -34.618 4.931 -6.225 1.00 18.28 H new ATOM 0 HB3 ARG A 104 -35.379 4.028 -4.931 1.00 18.28 H new ATOM 0 HG2 ARG A 104 -37.031 5.404 -6.119 1.00 18.06 H new ATOM 0 HG3 ARG A 104 -36.885 5.920 -4.450 1.00 18.06 H new ATOM 0 HD2 ARG A 104 -35.204 7.677 -5.262 1.00 18.33 H new ATOM 0 HD3 ARG A 104 -35.664 7.247 -6.898 1.00 18.33 H new ATOM 0 HE ARG A 104 -38.046 7.884 -6.199 1.00 18.68 H new ATOM 0 HH11 ARG A 104 -35.164 9.227 -4.642 1.00 19.15 H new ATOM 0 HH12 ARG A 104 -35.973 10.729 -4.181 1.00 19.15 H new ATOM 0 HH21 ARG A 104 -39.069 9.807 -5.618 1.00 19.51 H new ATOM 0 HH22 ARG A 104 -38.185 11.056 -4.735 1.00 19.51 H new TER 1600 ARG A 104 ATOM 1601 O5' A P 600 -0.751 -6.477 3.142 1.00 1.38 O ATOM 1602 C5' A P 600 -1.060 -7.309 2.019 1.00 0.55 C ATOM 1603 C4' A P 600 -2.539 -7.312 1.711 1.00 0.55 C ATOM 1604 O4' A P 600 -3.206 -8.199 2.648 1.00 0.60 O ATOM 1605 C3' A P 600 -3.263 -5.994 1.928 1.00 0.50 C ATOM 1606 O3' A P 600 -4.566 -6.006 1.361 1.00 0.59 O ATOM 1607 C2' A P 600 -3.340 -5.982 3.441 1.00 0.51 C ATOM 1608 O2' A P 600 -4.306 -5.081 3.942 1.00 0.62 O ATOM 1609 C1' A P 600 -3.803 -7.422 3.670 1.00 0.63 C ATOM 1610 N9 A P 600 -3.410 -7.965 4.969 1.00 0.74 N ATOM 1611 C8 A P 600 -2.236 -8.593 5.293 1.00 1.11 C ATOM 1612 N7 A P 600 -2.166 -8.964 6.550 1.00 1.15 N ATOM 1613 C5 A P 600 -3.378 -8.554 7.084 1.00 1.04 C ATOM 1614 C6 A P 600 -3.926 -8.655 8.377 1.00 1.44 C ATOM 1615 N6 A P 600 -3.297 -9.226 9.405 1.00 1.43 N ATOM 1616 N1 A P 600 -5.161 -8.144 8.576 1.00 2.11 N ATOM 1617 C2 A P 600 -5.796 -7.576 7.543 1.00 2.30 C ATOM 1618 N3 A P 600 -5.386 -7.421 6.287 1.00 1.82 N ATOM 1619 C4 A P 600 -4.157 -7.938 6.121 1.00 1.12 C ATOM 0 H5' A P 600 -0.729 -8.328 2.220 1.00 0.55 H new ATOM 0 H5'' A P 600 -0.508 -6.961 1.146 1.00 0.55 H new ATOM 0 H4' A P 600 -2.585 -7.587 0.657 1.00 0.55 H new ATOM 0 H3' A P 600 -2.775 -5.132 1.474 1.00 0.50 H new ATOM 0 H2' A P 600 -2.415 -5.674 3.930 1.00 0.51 H new ATOM 0 HO2' A P 600 -4.469 -4.376 3.281 1.00 0.62 H new ATOM 0 HO5' A P 600 -0.183 -6.971 3.769 1.00 1.38 H new ATOM 0 H1' A P 600 -4.893 -7.445 3.651 1.00 0.63 H new ATOM 0 H8 A P 600 -1.443 -8.766 4.581 1.00 1.11 H new ATOM 0 H61 A P 600 -3.748 -9.268 10.319 1.00 1.43 H new ATOM 0 H62 A P 600 -2.365 -9.621 9.277 1.00 1.43 H new ATOM 0 H2 A P 600 -6.781 -7.189 7.760 1.00 2.30 H new ATOM 1631 P U P 601 -5.181 -4.629 0.818 1.00 0.57 P ATOM 1632 OP1 U P 601 -6.579 -4.893 0.405 1.00 0.86 O ATOM 1633 OP2 U P 601 -4.886 -3.557 1.798 1.00 0.58 O ATOM 1634 O5' U P 601 -4.307 -4.371 -0.486 1.00 0.54 O ATOM 1635 C5' U P 601 -3.727 -5.453 -1.217 1.00 0.43 C ATOM 1636 C4' U P 601 -4.783 -6.067 -2.088 1.00 0.50 C ATOM 1637 O4' U P 601 -4.650 -5.487 -3.405 1.00 0.50 O ATOM 1638 C3' U P 601 -4.645 -7.536 -2.428 1.00 0.57 C ATOM 1639 O3' U P 601 -5.682 -7.932 -3.319 1.00 0.69 O ATOM 1640 C2' U P 601 -3.313 -7.415 -3.129 1.00 0.51 C ATOM 1641 O2' U P 601 -2.966 -8.565 -3.870 1.00 0.59 O ATOM 1642 C1' U P 601 -3.658 -6.256 -4.076 1.00 0.54 C ATOM 1643 N1 U P 601 -2.539 -5.368 -4.405 1.00 0.52 N ATOM 1644 C2 U P 601 -1.565 -5.817 -5.281 1.00 0.66 C ATOM 1645 O2 U P 601 -1.579 -6.930 -5.782 1.00 0.77 O ATOM 1646 N3 U P 601 -0.571 -4.911 -5.551 1.00 0.70 N ATOM 1647 C4 U P 601 -0.452 -3.634 -5.042 1.00 0.64 C ATOM 1648 O4 U P 601 0.517 -2.945 -5.363 1.00 0.75 O ATOM 1649 C5 U P 601 -1.500 -3.251 -4.146 1.00 0.52 C ATOM 1650 C6 U P 601 -2.476 -4.107 -3.868 1.00 0.47 C ATOM 0 H5' U P 601 -3.323 -6.198 -0.532 1.00 0.43 H new ATOM 0 H5'' U P 601 -2.896 -5.095 -1.826 1.00 0.43 H new ATOM 0 H4' U P 601 -5.696 -5.903 -1.516 1.00 0.50 H new ATOM 0 H3' U P 601 -4.704 -8.261 -1.616 1.00 0.57 H new ATOM 0 H2' U P 601 -2.463 -7.276 -2.460 1.00 0.51 H new ATOM 0 HO2' U P 601 -3.730 -8.845 -4.417 1.00 0.59 H new ATOM 0 H1' U P 601 -3.978 -6.686 -5.025 1.00 0.54 H new ATOM 0 H3 U P 601 0.158 -5.214 -6.197 1.00 0.70 H new ATOM 0 H5 U P 601 -1.497 -2.269 -3.697 1.00 0.52 H new ATOM 0 H6 U P 601 -3.256 -3.797 -3.188 1.00 0.47 H new ATOM 1660 P C P 602 -6.042 -9.472 -3.587 1.00 1.15 P ATOM 1661 OP1 C P 602 -6.130 -10.143 -2.264 1.00 1.84 O ATOM 1662 OP2 C P 602 -5.115 -10.000 -4.618 1.00 1.97 O ATOM 1663 O5' C P 602 -7.502 -9.393 -4.218 1.00 1.19 O ATOM 1664 C5' C P 602 -8.410 -10.491 -4.168 1.00 1.31 C ATOM 1665 C4' C P 602 -9.106 -10.655 -5.495 1.00 1.49 C ATOM 1666 O4' C P 602 -10.392 -11.290 -5.270 1.00 2.34 O ATOM 1667 C3' C P 602 -9.430 -9.364 -6.234 1.00 1.79 C ATOM 1668 O3' C P 602 -8.343 -8.969 -7.065 1.00 2.56 O ATOM 1669 C2' C P 602 -10.660 -9.741 -7.048 1.00 2.08 C ATOM 1670 O2' C P 602 -10.315 -10.455 -8.220 1.00 2.47 O ATOM 1671 C1' C P 602 -11.380 -10.683 -6.082 1.00 2.67 C ATOM 1672 N1 C P 602 -12.364 -10.013 -5.212 1.00 3.63 N ATOM 1673 C2 C P 602 -13.552 -9.541 -5.781 1.00 4.26 C ATOM 1674 O2 C P 602 -13.732 -9.678 -7.002 1.00 4.04 O ATOM 1675 N3 C P 602 -14.475 -8.948 -4.988 1.00 5.35 N ATOM 1676 C4 C P 602 -14.244 -8.812 -3.680 1.00 5.90 C ATOM 1677 N4 C P 602 -15.185 -8.223 -2.940 1.00 7.11 N ATOM 1678 C5 C P 602 -13.042 -9.282 -3.075 1.00 5.40 C ATOM 1679 C6 C P 602 -12.139 -9.868 -3.871 1.00 4.24 C ATOM 0 H5' C P 602 -9.146 -10.327 -3.381 1.00 1.31 H new ATOM 0 H5'' C P 602 -7.872 -11.405 -3.916 1.00 1.31 H new ATOM 0 H4' C P 602 -8.404 -11.228 -6.101 1.00 1.49 H new ATOM 0 H3' C P 602 -9.605 -8.513 -5.576 1.00 1.79 H new ATOM 0 H2' C P 602 -11.235 -8.877 -7.383 1.00 2.08 H new ATOM 0 HO2' C P 602 -9.366 -10.315 -8.421 1.00 2.47 H new ATOM 0 H1' C P 602 -11.942 -11.402 -6.678 1.00 2.67 H new ATOM 0 H41 C P 602 -15.044 -8.102 -1.937 1.00 7.11 H new ATOM 0 H42 C P 602 -16.046 -7.894 -3.377 1.00 7.11 H new ATOM 0 H5 C P 602 -12.866 -9.170 -2.015 1.00 5.40 H new ATOM 0 H6 C P 602 -11.216 -10.233 -3.446 1.00 4.24 H new ATOM 1690 P G P 603 -7.855 -7.438 -7.079 1.00 3.64 P ATOM 1691 OP1 G P 603 -7.057 -7.212 -5.847 1.00 4.26 O ATOM 1692 OP2 G P 603 -7.247 -7.154 -8.405 1.00 4.38 O ATOM 1693 O5' G P 603 -9.208 -6.603 -6.962 1.00 3.89 O ATOM 1694 C5' G P 603 -9.411 -5.667 -5.905 1.00 4.76 C ATOM 1695 C4' G P 603 -10.092 -4.428 -6.433 1.00 5.12 C ATOM 1696 O4' G P 603 -11.410 -4.794 -6.930 1.00 5.08 O ATOM 1697 C3' G P 603 -10.332 -3.331 -5.400 1.00 5.99 C ATOM 1698 O3' G P 603 -10.189 -2.028 -5.971 1.00 6.44 O ATOM 1699 C2' G P 603 -11.765 -3.583 -4.951 1.00 6.36 C ATOM 1700 O2' G P 603 -12.390 -2.401 -4.496 1.00 7.21 O ATOM 1701 C1' G P 603 -12.388 -4.008 -6.279 1.00 5.81 C ATOM 1702 N9 G P 603 -13.615 -4.789 -6.135 1.00 5.87 N ATOM 1703 C8 G P 603 -13.763 -6.144 -6.307 1.00 6.11 C ATOM 1704 N7 G P 603 -14.989 -6.556 -6.125 1.00 6.44 N ATOM 1705 C5 G P 603 -15.695 -5.400 -5.815 1.00 6.40 C ATOM 1706 C6 G P 603 -17.071 -5.218 -5.516 1.00 6.92 C ATOM 1707 O6 G P 603 -17.966 -6.071 -5.463 1.00 7.45 O ATOM 1708 N1 G P 603 -17.374 -3.884 -5.259 1.00 7.08 N ATOM 1709 C2 G P 603 -16.459 -2.858 -5.289 1.00 6.82 C ATOM 1710 N2 G P 603 -16.937 -1.633 -5.025 1.00 7.39 N ATOM 1711 N3 G P 603 -15.171 -3.014 -5.563 1.00 6.32 N ATOM 1712 C4 G P 603 -14.862 -4.302 -5.816 1.00 6.09 C ATOM 0 H5' G P 603 -8.454 -5.402 -5.455 1.00 4.76 H new ATOM 0 H5'' G P 603 -10.018 -6.119 -5.120 1.00 4.76 H new ATOM 0 H4' G P 603 -9.415 -4.037 -7.192 1.00 5.12 H new ATOM 0 H3' G P 603 -9.614 -3.359 -4.580 1.00 5.99 H new ATOM 0 H2' G P 603 -11.854 -4.291 -4.127 1.00 6.36 H new ATOM 0 HO2' G P 603 -13.335 -2.410 -4.756 1.00 7.21 H new ATOM 0 HO3' G P 603 -10.955 -1.473 -5.715 1.00 6.44 H new ATOM 0 H1' G P 603 -12.674 -3.116 -6.836 1.00 5.81 H new ATOM 0 H8 G P 603 -12.947 -6.803 -6.567 1.00 6.11 H new ATOM 0 H1 G P 603 -18.341 -3.652 -5.033 1.00 7.08 H new ATOM 0 H21 G P 603 -16.310 -0.829 -5.031 1.00 7.39 H new ATOM 0 H22 G P 603 -17.928 -1.506 -4.818 1.00 7.39 H new TER 1724 G P 603