USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 652 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 74 TYR OH : rot 180:sc= 0.0811 USER MOD Set 1.2: A 78 GLN : amide:sc= -0.358 X(o=-0.28,f=-0.35) USER MOD Set 2.1: A 55 GLN : amide:sc= -2.88! C(o=-1.8!,f=-11!) USER MOD Set 2.2: A 65 LYS NZ :NH3+ -114:sc= 1.08 (180deg=-0.94) USER MOD Single : A 6 GLN : amide:sc= -0.0723 X(o=-0.072,f=-0.56) USER MOD Single : A 8 HIS : no HD1:sc= -0.127 X(o=-0.13,f=-0.0066) USER MOD Single : A 10 ASN :FLIP amide:sc= -0.214 F(o=-1.8!,f=-0.21) USER MOD Single : A 12 ASN : amide:sc= -1.33 K(o=-1.3,f=-4.6!) USER MOD Single : A 15 GLN : amide:sc= -0.034 X(o=-0.034,f=-0.33) USER MOD Single : A 16 ASN : amide:sc= -1.27 X(o=-1.3,f=-1.7!) USER MOD Single : A 18 THR OG1 : rot 59:sc= 0.671 USER MOD Single : A 20 GLN : amide:sc= -0.116 K(o=-0.12,f=-1.5) USER MOD Single : A 23 MET CE :methyl 144:sc= -1.5 (180deg=-3.5!) USER MOD Single : A 28 LYS NZ :NH3+ 173:sc= 0.848 (180deg=0.742) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.034 USER MOD Single : A 41 LYS NZ :NH3+ 170:sc=-0.00866 (180deg=-0.107) USER MOD Single : A 42 GLN : amide:sc= 0.666 K(o=0.67,f=0) USER MOD Single : A 44 GLN : amide:sc= -0.0231 K(o=-0.023,f=-0.54) USER MOD Single : A 50 LYS NZ :NH3+ 174:sc=-0.00226 (180deg=-0.0751) USER MOD Single : A 51 MET CE :methyl -107:sc= -5.22! (180deg=-8.38!) USER MOD Single : A 58 SER OG : rot 180:sc= 0.00314 USER MOD Single : A 59 GLN : amide:sc= 0.964 K(o=0.96,f=-7.3!) USER MOD Single : A 60 ASN :FLIP amide:sc=-0.00932 F(o=-0.95,f=-0.0093) USER MOD Single : A 61 THR OG1 : rot 98:sc= 1.25 USER MOD Single : A 62 ASN : amide:sc= -0.0184 X(o=-0.018,f=-0.018) USER MOD Single : A 75 LYS NZ :NH3+ -179:sc= 2.37 (180deg=2.33) USER MOD Single : A 77 GLN : amide:sc= 0.821 K(o=0.82,f=-0.13) USER MOD Single : A 80 CYS SG : rot 180:sc= -0.273 USER MOD Single : A 82 MET CE :methyl -113:sc= -0.574 (180deg=-3.94!) USER MOD Single : A 84 MET CE :methyl -156:sc= -0.196 (180deg=-0.922) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 5 -1.394 -14.233 -5.907 1.00 0.00 N ATOM 2 CA GLY A 5 -0.438 -14.162 -4.827 1.00 0.00 C ATOM 3 C GLY A 5 -0.964 -14.881 -3.607 1.00 0.00 C ATOM 4 O GLY A 5 -2.159 -15.170 -3.531 1.00 0.00 O ATOM 0 HA2 GLY A 5 0.507 -14.607 -5.140 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -0.234 -13.120 -4.582 1.00 0.00 H new ATOM 8 N GLN A 6 -0.091 -15.183 -2.661 1.00 0.00 N ATOM 9 CA GLN A 6 -0.509 -15.875 -1.450 1.00 0.00 C ATOM 10 C GLN A 6 -0.782 -14.884 -0.328 1.00 0.00 C ATOM 11 O GLN A 6 -1.045 -15.283 0.804 1.00 0.00 O ATOM 12 CB GLN A 6 0.543 -16.898 -1.021 1.00 0.00 C ATOM 13 CG GLN A 6 0.790 -17.976 -2.065 1.00 0.00 C ATOM 14 CD GLN A 6 -0.450 -18.801 -2.362 1.00 0.00 C ATOM 15 OE1 GLN A 6 -1.294 -19.013 -1.491 1.00 0.00 O ATOM 16 NE2 GLN A 6 -0.572 -19.261 -3.595 1.00 0.00 N ATOM 0 H GLN A 6 0.904 -14.963 -2.705 1.00 0.00 H new ATOM 0 HA GLN A 6 -1.435 -16.407 -1.667 1.00 0.00 H new ATOM 0 HB2 GLN A 6 1.480 -16.381 -0.813 1.00 0.00 H new ATOM 0 HB3 GLN A 6 0.225 -17.368 -0.090 1.00 0.00 H new ATOM 0 HG2 GLN A 6 1.140 -17.510 -2.986 1.00 0.00 H new ATOM 0 HG3 GLN A 6 1.586 -18.636 -1.719 1.00 0.00 H new ATOM 0 HE21 GLN A 6 0.150 -19.063 -4.287 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -1.389 -19.814 -3.854 1.00 0.00 H new ATOM 25 N PHE A 7 -0.718 -13.595 -0.662 1.00 0.00 N ATOM 26 CA PHE A 7 -1.023 -12.514 0.275 1.00 0.00 C ATOM 27 C PHE A 7 -0.157 -12.630 1.532 1.00 0.00 C ATOM 28 O PHE A 7 1.076 -12.570 1.446 1.00 0.00 O ATOM 29 CB PHE A 7 -2.511 -12.535 0.652 1.00 0.00 C ATOM 30 CG PHE A 7 -3.435 -12.754 -0.511 1.00 0.00 C ATOM 31 CD1 PHE A 7 -3.485 -11.850 -1.557 1.00 0.00 C ATOM 32 CD2 PHE A 7 -4.255 -13.869 -0.553 1.00 0.00 C ATOM 33 CE1 PHE A 7 -4.335 -12.057 -2.626 1.00 0.00 C ATOM 34 CE2 PHE A 7 -5.107 -14.081 -1.617 1.00 0.00 C ATOM 35 CZ PHE A 7 -5.148 -13.171 -2.655 1.00 0.00 C ATOM 0 H PHE A 7 -0.453 -13.271 -1.592 1.00 0.00 H new ATOM 0 HA PHE A 7 -0.800 -11.565 -0.213 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -2.677 -13.322 1.388 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -2.766 -11.591 1.132 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -2.853 -10.974 -1.538 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -4.227 -14.582 0.258 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -4.363 -11.347 -3.439 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -5.740 -14.956 -1.638 1.00 0.00 H new ATOM 0 HZ PHE A 7 -5.816 -13.331 -3.488 1.00 0.00 H new ATOM 45 N HIS A 8 -0.815 -12.779 2.688 1.00 0.00 N ATOM 46 CA HIS A 8 -0.157 -13.080 3.960 1.00 0.00 C ATOM 47 C HIS A 8 0.536 -11.860 4.561 1.00 0.00 C ATOM 48 O HIS A 8 1.181 -11.067 3.868 1.00 0.00 O ATOM 49 CB HIS A 8 0.820 -14.252 3.811 1.00 0.00 C ATOM 50 CG HIS A 8 0.126 -15.570 3.650 1.00 0.00 C ATOM 51 ND1 HIS A 8 0.777 -16.733 3.312 1.00 0.00 N ATOM 52 CD2 HIS A 8 -1.181 -15.900 3.780 1.00 0.00 C ATOM 53 CE1 HIS A 8 -0.098 -17.717 3.231 1.00 0.00 C ATOM 54 NE2 HIS A 8 -1.295 -17.238 3.511 1.00 0.00 N ATOM 0 H HIS A 8 -1.828 -12.693 2.765 1.00 0.00 H new ATOM 0 HA HIS A 8 -0.940 -13.374 4.659 1.00 0.00 H new ATOM 0 HB2 HIS A 8 1.462 -14.077 2.947 1.00 0.00 H new ATOM 0 HB3 HIS A 8 1.468 -14.292 4.687 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -1.986 -15.231 4.047 1.00 0.00 H new ATOM 0 HE1 HIS A 8 0.128 -18.742 2.978 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -2.162 -17.775 3.525 1.00 0.00 H new ATOM 63 N ASP A 9 0.398 -11.728 5.874 1.00 0.00 N ATOM 64 CA ASP A 9 0.891 -10.567 6.601 1.00 0.00 C ATOM 65 C ASP A 9 2.412 -10.575 6.699 1.00 0.00 C ATOM 66 O ASP A 9 3.026 -9.528 6.884 1.00 0.00 O ATOM 67 CB ASP A 9 0.262 -10.503 7.998 1.00 0.00 C ATOM 68 CG ASP A 9 0.600 -11.704 8.858 1.00 0.00 C ATOM 69 OD1 ASP A 9 0.284 -12.842 8.445 1.00 0.00 O ATOM 70 OD2 ASP A 9 1.156 -11.516 9.959 1.00 0.00 O ATOM 0 H ASP A 9 -0.059 -12.423 6.464 1.00 0.00 H new ATOM 0 HA ASP A 9 0.600 -9.677 6.044 1.00 0.00 H new ATOM 0 HB2 ASP A 9 0.600 -9.597 8.501 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -0.821 -10.428 7.899 1.00 0.00 H new ATOM 75 N ASN A 10 3.023 -11.742 6.546 1.00 0.00 N ATOM 76 CA ASN A 10 4.482 -11.829 6.519 1.00 0.00 C ATOM 77 C ASN A 10 5.015 -11.604 5.110 1.00 0.00 C ATOM 78 O ASN A 10 6.215 -11.730 4.861 1.00 0.00 O ATOM 79 CB ASN A 10 4.975 -13.174 7.060 1.00 0.00 C ATOM 80 CG ASN A 10 5.113 -13.186 8.570 1.00 0.00 C ATOM 81 OD1 ASN A 10 5.489 -12.053 9.149 1.00 0.00 O flip ATOM 82 ND2 ASN A 10 4.899 -14.214 9.214 1.00 0.00 N flip ATOM 0 H ASN A 10 2.540 -12.634 6.440 1.00 0.00 H new ATOM 0 HA ASN A 10 4.865 -11.042 7.168 1.00 0.00 H new ATOM 0 HB2 ASN A 10 4.281 -13.958 6.757 1.00 0.00 H new ATOM 0 HB3 ASN A 10 5.939 -13.410 6.610 1.00 0.00 H new ATOM 0 HD21 ASN A 10 4.611 -15.066 8.733 1.00 0.00 H new ATOM 0 HD22 ASN A 10 5.010 -14.213 10.228 1.00 0.00 H new ATOM 89 N ALA A 11 4.088 -11.284 4.201 1.00 0.00 N ATOM 90 CA ALA A 11 4.403 -10.910 2.821 1.00 0.00 C ATOM 91 C ALA A 11 4.881 -12.096 1.992 1.00 0.00 C ATOM 92 O ALA A 11 6.003 -12.574 2.152 1.00 0.00 O ATOM 93 CB ALA A 11 5.426 -9.780 2.777 1.00 0.00 C ATOM 0 H ALA A 11 3.089 -11.278 4.406 1.00 0.00 H new ATOM 0 HA ALA A 11 3.474 -10.556 2.374 1.00 0.00 H new ATOM 0 HB1 ALA A 11 5.640 -9.524 1.740 1.00 0.00 H new ATOM 0 HB2 ALA A 11 5.026 -8.906 3.291 1.00 0.00 H new ATOM 0 HB3 ALA A 11 6.344 -10.101 3.269 1.00 0.00 H new ATOM 99 N ASN A 12 4.011 -12.577 1.113 1.00 0.00 N ATOM 100 CA ASN A 12 4.385 -13.601 0.145 1.00 0.00 C ATOM 101 C ASN A 12 5.456 -13.048 -0.796 1.00 0.00 C ATOM 102 O ASN A 12 5.365 -11.902 -1.250 1.00 0.00 O ATOM 103 CB ASN A 12 3.148 -14.053 -0.646 1.00 0.00 C ATOM 104 CG ASN A 12 3.450 -15.127 -1.684 1.00 0.00 C ATOM 105 OD1 ASN A 12 2.830 -15.167 -2.749 1.00 0.00 O ATOM 106 ND2 ASN A 12 4.368 -16.031 -1.371 1.00 0.00 N ATOM 0 H ASN A 12 3.039 -12.274 1.050 1.00 0.00 H new ATOM 0 HA ASN A 12 4.791 -14.466 0.669 1.00 0.00 H new ATOM 0 HB2 ASN A 12 2.400 -14.432 0.050 1.00 0.00 H new ATOM 0 HB3 ASN A 12 2.710 -13.189 -1.146 1.00 0.00 H new ATOM 0 HD21 ASN A 12 4.580 -16.789 -2.020 1.00 0.00 H new ATOM 0 HD22 ASN A 12 4.863 -15.969 -0.481 1.00 0.00 H new ATOM 113 N GLY A 13 6.474 -13.851 -1.065 1.00 0.00 N ATOM 114 CA GLY A 13 7.598 -13.394 -1.858 1.00 0.00 C ATOM 115 C GLY A 13 7.270 -13.266 -3.332 1.00 0.00 C ATOM 116 O GLY A 13 6.548 -14.095 -3.895 1.00 0.00 O ATOM 0 H GLY A 13 6.542 -14.817 -0.746 1.00 0.00 H new ATOM 0 HA2 GLY A 13 7.933 -12.428 -1.481 1.00 0.00 H new ATOM 0 HA3 GLY A 13 8.429 -14.089 -1.735 1.00 0.00 H new ATOM 120 N GLY A 14 7.797 -12.223 -3.958 1.00 0.00 N ATOM 121 CA GLY A 14 7.610 -12.031 -5.382 1.00 0.00 C ATOM 122 C GLY A 14 6.323 -11.301 -5.702 1.00 0.00 C ATOM 123 O GLY A 14 6.345 -10.153 -6.152 1.00 0.00 O ATOM 0 H GLY A 14 8.355 -11.502 -3.501 1.00 0.00 H new ATOM 0 HA2 GLY A 14 8.453 -11.469 -5.784 1.00 0.00 H new ATOM 0 HA3 GLY A 14 7.608 -13.001 -5.879 1.00 0.00 H new ATOM 127 N GLN A 15 5.202 -11.961 -5.463 1.00 0.00 N ATOM 128 CA GLN A 15 3.893 -11.381 -5.725 1.00 0.00 C ATOM 129 C GLN A 15 3.032 -11.445 -4.479 1.00 0.00 C ATOM 130 O GLN A 15 2.981 -12.468 -3.801 1.00 0.00 O ATOM 131 CB GLN A 15 3.198 -12.104 -6.880 1.00 0.00 C ATOM 132 CG GLN A 15 3.731 -11.723 -8.251 1.00 0.00 C ATOM 133 CD GLN A 15 3.530 -10.255 -8.566 1.00 0.00 C ATOM 134 OE1 GLN A 15 2.497 -9.862 -9.109 1.00 0.00 O ATOM 135 NE2 GLN A 15 4.509 -9.432 -8.230 1.00 0.00 N ATOM 0 H GLN A 15 5.172 -12.908 -5.084 1.00 0.00 H new ATOM 0 HA GLN A 15 4.034 -10.338 -6.007 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.310 -13.180 -6.743 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.130 -11.887 -6.842 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.794 -11.960 -8.302 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.233 -12.325 -9.011 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.350 -9.796 -7.781 1.00 0.00 H new ATOM 0 HE22 GLN A 15 4.423 -8.433 -8.419 1.00 0.00 H new ATOM 144 N ASN A 16 2.363 -10.346 -4.179 1.00 0.00 N ATOM 145 CA ASN A 16 1.539 -10.264 -2.986 1.00 0.00 C ATOM 146 C ASN A 16 0.099 -10.632 -3.305 1.00 0.00 C ATOM 147 O ASN A 16 -0.544 -11.356 -2.552 1.00 0.00 O ATOM 148 CB ASN A 16 1.601 -8.862 -2.375 1.00 0.00 C ATOM 149 CG ASN A 16 2.991 -8.481 -1.892 1.00 0.00 C ATOM 150 OD1 ASN A 16 3.355 -7.307 -1.879 1.00 0.00 O ATOM 151 ND2 ASN A 16 3.782 -9.467 -1.494 1.00 0.00 N ATOM 0 H ASN A 16 2.374 -9.498 -4.745 1.00 0.00 H new ATOM 0 HA ASN A 16 1.930 -10.975 -2.258 1.00 0.00 H new ATOM 0 HB2 ASN A 16 1.269 -8.135 -3.116 1.00 0.00 H new ATOM 0 HB3 ASN A 16 0.905 -8.806 -1.538 1.00 0.00 H new ATOM 0 HD21 ASN A 16 4.725 -9.263 -1.164 1.00 0.00 H new ATOM 0 HD22 ASN A 16 3.448 -10.430 -1.518 1.00 0.00 H new ATOM 158 N GLY A 17 -0.397 -10.148 -4.433 1.00 0.00 N ATOM 159 CA GLY A 17 -1.752 -10.457 -4.832 1.00 0.00 C ATOM 160 C GLY A 17 -2.675 -9.265 -4.726 1.00 0.00 C ATOM 161 O GLY A 17 -2.979 -8.621 -5.734 1.00 0.00 O ATOM 0 H GLY A 17 0.115 -9.547 -5.079 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -1.750 -10.820 -5.860 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -2.135 -11.265 -4.209 1.00 0.00 H new ATOM 165 N THR A 18 -3.110 -8.961 -3.511 1.00 0.00 N ATOM 166 CA THR A 18 -4.055 -7.877 -3.294 1.00 0.00 C ATOM 167 C THR A 18 -3.382 -6.520 -3.451 1.00 0.00 C ATOM 168 O THR A 18 -2.352 -6.242 -2.829 1.00 0.00 O ATOM 169 CB THR A 18 -4.707 -7.980 -1.899 1.00 0.00 C ATOM 170 OG1 THR A 18 -5.453 -9.199 -1.815 1.00 0.00 O ATOM 171 CG2 THR A 18 -5.633 -6.802 -1.616 1.00 0.00 C ATOM 0 H THR A 18 -2.824 -9.449 -2.663 1.00 0.00 H new ATOM 0 HA THR A 18 -4.833 -7.969 -4.052 1.00 0.00 H new ATOM 0 HB THR A 18 -3.911 -7.966 -1.155 1.00 0.00 H new ATOM 0 HG1 THR A 18 -4.854 -9.960 -1.967 1.00 0.00 H new ATOM 0 HG21 THR A 18 -6.071 -6.914 -0.624 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.064 -5.873 -1.659 1.00 0.00 H new ATOM 0 HG23 THR A 18 -6.427 -6.776 -2.362 1.00 0.00 H new ATOM 179 N VAL A 19 -3.966 -5.693 -4.300 1.00 0.00 N ATOM 180 CA VAL A 19 -3.478 -4.347 -4.523 1.00 0.00 C ATOM 181 C VAL A 19 -4.651 -3.385 -4.673 1.00 0.00 C ATOM 182 O VAL A 19 -5.589 -3.646 -5.428 1.00 0.00 O ATOM 183 CB VAL A 19 -2.561 -4.273 -5.770 1.00 0.00 C ATOM 184 CG1 VAL A 19 -3.290 -4.742 -7.021 1.00 0.00 C ATOM 185 CG2 VAL A 19 -2.025 -2.863 -5.961 1.00 0.00 C ATOM 0 H VAL A 19 -4.789 -5.936 -4.852 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.883 -4.058 -3.657 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.718 -4.944 -5.602 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.620 -4.678 -7.878 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.612 -5.775 -6.889 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.161 -4.110 -7.193 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.384 -2.834 -6.842 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.858 -2.172 -6.095 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.449 -2.571 -5.083 1.00 0.00 H new ATOM 195 N GLN A 20 -4.625 -2.296 -3.925 1.00 0.00 N ATOM 196 CA GLN A 20 -5.656 -1.281 -4.053 1.00 0.00 C ATOM 197 C GLN A 20 -5.113 -0.032 -4.718 1.00 0.00 C ATOM 198 O GLN A 20 -4.129 0.553 -4.264 1.00 0.00 O ATOM 199 CB GLN A 20 -6.285 -0.952 -2.701 1.00 0.00 C ATOM 200 CG GLN A 20 -7.261 -2.020 -2.237 1.00 0.00 C ATOM 201 CD GLN A 20 -8.034 -1.625 -0.996 1.00 0.00 C ATOM 202 OE1 GLN A 20 -7.532 -0.911 -0.136 1.00 0.00 O ATOM 203 NE2 GLN A 20 -9.275 -2.074 -0.908 1.00 0.00 N ATOM 0 H GLN A 20 -3.908 -2.093 -3.228 1.00 0.00 H new ATOM 0 HA GLN A 20 -6.440 -1.688 -4.692 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -5.498 -0.836 -1.956 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -6.803 0.005 -2.768 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -7.964 -2.235 -3.042 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -6.713 -2.941 -2.038 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -9.656 -2.666 -1.645 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -9.851 -1.828 -0.103 1.00 0.00 H new ATOM 212 N GLU A 21 -5.748 0.344 -5.819 1.00 0.00 N ATOM 213 CA GLU A 21 -5.394 1.547 -6.547 1.00 0.00 C ATOM 214 C GLU A 21 -6.285 2.698 -6.119 1.00 0.00 C ATOM 215 O GLU A 21 -7.505 2.646 -6.280 1.00 0.00 O ATOM 216 CB GLU A 21 -5.510 1.309 -8.052 1.00 0.00 C ATOM 217 CG GLU A 21 -4.423 0.400 -8.587 1.00 0.00 C ATOM 218 CD GLU A 21 -4.636 -0.007 -10.026 1.00 0.00 C ATOM 219 OE1 GLU A 21 -5.540 -0.827 -10.291 1.00 0.00 O ATOM 220 OE2 GLU A 21 -3.878 0.472 -10.897 1.00 0.00 O ATOM 0 H GLU A 21 -6.522 -0.178 -6.230 1.00 0.00 H new ATOM 0 HA GLU A 21 -4.360 1.805 -6.318 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.484 0.872 -8.272 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.465 2.266 -8.571 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.461 0.905 -8.499 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.371 -0.495 -7.968 1.00 0.00 H new ATOM 227 N ILE A 22 -5.676 3.720 -5.551 1.00 0.00 N ATOM 228 CA ILE A 22 -6.415 4.878 -5.073 1.00 0.00 C ATOM 229 C ILE A 22 -6.091 6.088 -5.935 1.00 0.00 C ATOM 230 O ILE A 22 -4.982 6.209 -6.453 1.00 0.00 O ATOM 231 CB ILE A 22 -6.084 5.205 -3.594 1.00 0.00 C ATOM 232 CG1 ILE A 22 -6.148 3.935 -2.734 1.00 0.00 C ATOM 233 CG2 ILE A 22 -7.050 6.254 -3.051 1.00 0.00 C ATOM 234 CD1 ILE A 22 -7.507 3.264 -2.726 1.00 0.00 C ATOM 0 H ILE A 22 -4.668 3.775 -5.408 1.00 0.00 H new ATOM 0 HA ILE A 22 -7.476 4.639 -5.139 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.071 5.605 -3.551 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.406 3.225 -3.098 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.873 4.188 -1.710 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.804 6.472 -2.012 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -6.967 7.166 -3.643 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -8.070 5.875 -3.110 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.470 2.375 -2.096 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -8.252 3.956 -2.333 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.777 2.978 -3.742 1.00 0.00 H new ATOM 246 N MET A 23 -7.068 6.963 -6.097 1.00 0.00 N ATOM 247 CA MET A 23 -6.896 8.195 -6.834 1.00 0.00 C ATOM 248 C MET A 23 -6.704 9.334 -5.846 1.00 0.00 C ATOM 249 O MET A 23 -7.667 9.843 -5.269 1.00 0.00 O ATOM 250 CB MET A 23 -8.122 8.436 -7.712 1.00 0.00 C ATOM 251 CG MET A 23 -8.337 7.380 -8.789 1.00 0.00 C ATOM 252 SD MET A 23 -7.414 7.677 -10.321 1.00 0.00 S ATOM 253 CE MET A 23 -5.715 7.387 -9.823 1.00 0.00 C ATOM 0 H MET A 23 -8.006 6.835 -5.718 1.00 0.00 H new ATOM 0 HA MET A 23 -6.019 8.134 -7.479 1.00 0.00 H new ATOM 0 HB2 MET A 23 -9.007 8.477 -7.077 1.00 0.00 H new ATOM 0 HB3 MET A 23 -8.027 9.411 -8.189 1.00 0.00 H new ATOM 0 HG2 MET A 23 -8.051 6.407 -8.389 1.00 0.00 H new ATOM 0 HG3 MET A 23 -9.400 7.328 -9.024 1.00 0.00 H new ATOM 0 HE1 MET A 23 -5.171 6.915 -10.642 1.00 0.00 H new ATOM 0 HE2 MET A 23 -5.242 8.337 -9.573 1.00 0.00 H new ATOM 0 HE3 MET A 23 -5.698 6.733 -8.951 1.00 0.00 H new ATOM 263 N ILE A 24 -5.455 9.698 -5.623 1.00 0.00 N ATOM 264 CA ILE A 24 -5.116 10.676 -4.599 1.00 0.00 C ATOM 265 C ILE A 24 -5.356 12.096 -5.098 1.00 0.00 C ATOM 266 O ILE A 24 -4.888 12.461 -6.174 1.00 0.00 O ATOM 267 CB ILE A 24 -3.638 10.545 -4.171 1.00 0.00 C ATOM 268 CG1 ILE A 24 -3.277 9.080 -3.894 1.00 0.00 C ATOM 269 CG2 ILE A 24 -3.345 11.412 -2.956 1.00 0.00 C ATOM 270 CD1 ILE A 24 -4.177 8.405 -2.883 1.00 0.00 C ATOM 0 H ILE A 24 -4.654 9.331 -6.138 1.00 0.00 H new ATOM 0 HA ILE A 24 -5.760 10.477 -3.743 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.017 10.897 -4.995 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.318 8.523 -4.830 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.248 9.031 -3.539 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.298 11.302 -2.675 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.548 12.456 -3.196 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.979 11.101 -2.125 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.857 7.373 -2.743 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.119 8.936 -1.933 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.205 8.420 -3.244 1.00 0.00 H new ATOM 282 N PRO A 25 -6.096 12.907 -4.322 1.00 0.00 N ATOM 283 CA PRO A 25 -6.343 14.310 -4.649 1.00 0.00 C ATOM 284 C PRO A 25 -5.051 15.063 -4.938 1.00 0.00 C ATOM 285 O PRO A 25 -4.131 15.055 -4.115 1.00 0.00 O ATOM 286 CB PRO A 25 -7.008 14.867 -3.390 1.00 0.00 C ATOM 287 CG PRO A 25 -7.634 13.687 -2.736 1.00 0.00 C ATOM 288 CD PRO A 25 -6.771 12.505 -3.077 1.00 0.00 C ATOM 0 HA PRO A 25 -6.952 14.416 -5.546 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -6.278 15.342 -2.734 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.753 15.623 -3.638 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -7.692 13.827 -1.657 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -8.653 13.540 -3.094 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -6.054 12.292 -2.284 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -7.367 11.603 -3.219 1.00 0.00 H new ATOM 296 N ALA A 26 -4.994 15.700 -6.102 1.00 0.00 N ATOM 297 CA ALA A 26 -3.757 16.279 -6.627 1.00 0.00 C ATOM 298 C ALA A 26 -3.004 17.115 -5.594 1.00 0.00 C ATOM 299 O ALA A 26 -1.818 16.878 -5.335 1.00 0.00 O ATOM 300 CB ALA A 26 -4.057 17.116 -7.859 1.00 0.00 C ATOM 0 H ALA A 26 -5.802 15.831 -6.710 1.00 0.00 H new ATOM 0 HA ALA A 26 -3.105 15.447 -6.893 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.131 17.543 -8.243 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -4.511 16.487 -8.624 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.745 17.919 -7.594 1.00 0.00 H new ATOM 306 N GLY A 27 -3.699 18.069 -4.987 1.00 0.00 N ATOM 307 CA GLY A 27 -3.054 18.991 -4.071 1.00 0.00 C ATOM 308 C GLY A 27 -2.850 18.409 -2.685 1.00 0.00 C ATOM 309 O GLY A 27 -1.929 18.801 -1.969 1.00 0.00 O ATOM 0 H GLY A 27 -4.700 18.221 -5.113 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.088 19.284 -4.481 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -3.656 19.897 -3.993 1.00 0.00 H new ATOM 313 N LYS A 28 -3.691 17.459 -2.305 1.00 0.00 N ATOM 314 CA LYS A 28 -3.619 16.878 -0.972 1.00 0.00 C ATOM 315 C LYS A 28 -2.687 15.670 -0.959 1.00 0.00 C ATOM 316 O LYS A 28 -2.512 15.014 0.068 1.00 0.00 O ATOM 317 CB LYS A 28 -5.017 16.498 -0.481 1.00 0.00 C ATOM 318 CG LYS A 28 -5.113 16.382 1.032 1.00 0.00 C ATOM 319 CD LYS A 28 -6.537 16.166 1.488 1.00 0.00 C ATOM 320 CE LYS A 28 -6.642 16.133 3.006 1.00 0.00 C ATOM 321 NZ LYS A 28 -6.394 17.460 3.628 1.00 0.00 N ATOM 0 H LYS A 28 -4.428 17.075 -2.897 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.209 17.623 -0.291 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.731 17.245 -0.827 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.306 15.548 -0.930 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.492 15.554 1.373 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.717 17.287 1.492 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.169 16.963 1.097 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.913 15.229 1.077 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.635 15.783 3.290 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -5.925 15.412 3.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -6.593 17.408 4.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -5.401 17.731 3.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -7.014 18.170 3.190 1.00 0.00 H new ATOM 335 N ALA A 29 -2.067 15.396 -2.102 1.00 0.00 N ATOM 336 CA ALA A 29 -1.118 14.298 -2.215 1.00 0.00 C ATOM 337 C ALA A 29 0.114 14.557 -1.357 1.00 0.00 C ATOM 338 O ALA A 29 0.814 13.624 -0.971 1.00 0.00 O ATOM 339 CB ALA A 29 -0.718 14.083 -3.664 1.00 0.00 C ATOM 0 H ALA A 29 -2.206 15.922 -2.965 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.604 13.392 -1.852 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -0.008 13.258 -3.727 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.603 13.846 -4.254 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -0.255 14.990 -4.052 1.00 0.00 H new ATOM 345 N GLY A 30 0.364 15.826 -1.056 1.00 0.00 N ATOM 346 CA GLY A 30 1.469 16.181 -0.188 1.00 0.00 C ATOM 347 C GLY A 30 1.392 15.468 1.146 1.00 0.00 C ATOM 348 O GLY A 30 2.403 15.021 1.675 1.00 0.00 O ATOM 0 H GLY A 30 -0.181 16.617 -1.399 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.410 15.932 -0.679 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.470 17.259 -0.024 1.00 0.00 H new ATOM 352 N LEU A 31 0.175 15.330 1.666 1.00 0.00 N ATOM 353 CA LEU A 31 -0.045 14.682 2.952 1.00 0.00 C ATOM 354 C LEU A 31 0.186 13.178 2.869 1.00 0.00 C ATOM 355 O LEU A 31 0.722 12.577 3.797 1.00 0.00 O ATOM 356 CB LEU A 31 -1.463 14.960 3.455 1.00 0.00 C ATOM 357 CG LEU A 31 -1.676 16.342 4.073 1.00 0.00 C ATOM 358 CD1 LEU A 31 -3.129 16.523 4.476 1.00 0.00 C ATOM 359 CD2 LEU A 31 -0.767 16.526 5.278 1.00 0.00 C ATOM 0 H LEU A 31 -0.677 15.661 1.212 1.00 0.00 H new ATOM 0 HA LEU A 31 0.676 15.098 3.655 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.156 14.841 2.622 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.723 14.204 4.196 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.426 17.098 3.329 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.265 17.512 4.914 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.765 16.426 3.596 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.401 15.762 5.207 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.929 17.514 5.708 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.993 15.764 6.024 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.273 16.432 4.967 1.00 0.00 H new ATOM 371 N VAL A 32 -0.218 12.574 1.755 1.00 0.00 N ATOM 372 CA VAL A 32 -0.069 11.142 1.567 1.00 0.00 C ATOM 373 C VAL A 32 1.409 10.771 1.460 1.00 0.00 C ATOM 374 O VAL A 32 1.811 9.650 1.766 1.00 0.00 O ATOM 375 CB VAL A 32 -0.845 10.673 0.317 1.00 0.00 C ATOM 376 CG1 VAL A 32 0.023 10.660 -0.930 1.00 0.00 C ATOM 377 CG2 VAL A 32 -1.469 9.315 0.556 1.00 0.00 C ATOM 0 H VAL A 32 -0.652 13.059 0.969 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.488 10.633 2.435 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.640 11.397 0.141 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -0.568 10.323 -1.781 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.397 11.665 -1.123 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.864 9.982 -0.781 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.011 9.002 -0.336 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.687 8.589 0.779 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.159 9.375 1.398 1.00 0.00 H new ATOM 387 N ILE A 33 2.205 11.733 1.023 1.00 0.00 N ATOM 388 CA ILE A 33 3.647 11.571 0.977 1.00 0.00 C ATOM 389 C ILE A 33 4.243 11.913 2.343 1.00 0.00 C ATOM 390 O ILE A 33 5.165 11.249 2.827 1.00 0.00 O ATOM 391 CB ILE A 33 4.273 12.464 -0.113 1.00 0.00 C ATOM 392 CG1 ILE A 33 3.583 12.212 -1.456 1.00 0.00 C ATOM 393 CG2 ILE A 33 5.766 12.192 -0.225 1.00 0.00 C ATOM 394 CD1 ILE A 33 3.975 13.190 -2.542 1.00 0.00 C ATOM 0 H ILE A 33 1.873 12.639 0.693 1.00 0.00 H new ATOM 0 HA ILE A 33 3.871 10.533 0.730 1.00 0.00 H new ATOM 0 HB ILE A 33 4.132 13.509 0.163 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.818 11.201 -1.789 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.503 12.258 -1.312 1.00 0.00 H new ATOM 0 HG21 ILE A 33 6.195 12.829 -0.998 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.247 12.405 0.729 1.00 0.00 H new ATOM 0 HG23 ILE A 33 5.927 11.146 -0.487 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.444 12.945 -3.462 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.715 14.202 -2.232 1.00 0.00 H new ATOM 0 HD13 ILE A 33 5.049 13.129 -2.716 1.00 0.00 H new ATOM 406 N GLY A 34 3.699 12.951 2.965 1.00 0.00 N ATOM 407 CA GLY A 34 4.092 13.301 4.311 1.00 0.00 C ATOM 408 C GLY A 34 4.537 14.739 4.444 1.00 0.00 C ATOM 409 O GLY A 34 4.017 15.632 3.776 1.00 0.00 O ATOM 0 H GLY A 34 2.989 13.558 2.556 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.255 13.122 4.986 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.903 12.645 4.628 1.00 0.00 H new ATOM 413 N LYS A 35 5.503 14.964 5.313 1.00 0.00 N ATOM 414 CA LYS A 35 6.042 16.293 5.527 1.00 0.00 C ATOM 415 C LYS A 35 7.361 16.426 4.771 1.00 0.00 C ATOM 416 O LYS A 35 7.740 17.511 4.330 1.00 0.00 O ATOM 417 CB LYS A 35 6.249 16.543 7.025 1.00 0.00 C ATOM 418 CG LYS A 35 5.008 16.279 7.874 1.00 0.00 C ATOM 419 CD LYS A 35 3.874 17.239 7.556 1.00 0.00 C ATOM 420 CE LYS A 35 2.688 17.015 8.482 1.00 0.00 C ATOM 421 NZ LYS A 35 1.608 18.019 8.275 1.00 0.00 N ATOM 0 H LYS A 35 5.933 14.238 5.886 1.00 0.00 H new ATOM 0 HA LYS A 35 5.340 17.038 5.153 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.062 15.909 7.380 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.564 17.576 7.171 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.670 15.255 7.711 1.00 0.00 H new ATOM 0 HG3 LYS A 35 5.268 16.365 8.929 1.00 0.00 H new ATOM 0 HD2 LYS A 35 4.226 18.266 7.653 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.561 17.106 6.521 1.00 0.00 H new ATOM 0 HE2 LYS A 35 2.287 16.015 8.318 1.00 0.00 H new ATOM 0 HE3 LYS A 35 3.026 17.057 9.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 0.823 17.824 8.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 1.981 18.973 8.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 1.265 17.963 7.295 1.00 0.00 H new ATOM 435 N GLY A 36 8.046 15.301 4.614 1.00 0.00 N ATOM 436 CA GLY A 36 9.288 15.275 3.867 1.00 0.00 C ATOM 437 C GLY A 36 9.544 13.916 3.253 1.00 0.00 C ATOM 438 O GLY A 36 10.688 13.492 3.116 1.00 0.00 O ATOM 0 H GLY A 36 7.760 14.399 4.994 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.255 16.029 3.081 1.00 0.00 H new ATOM 0 HA3 GLY A 36 10.115 15.538 4.527 1.00 0.00 H new ATOM 442 N GLY A 37 8.467 13.222 2.899 1.00 0.00 N ATOM 443 CA GLY A 37 8.586 11.896 2.321 1.00 0.00 C ATOM 444 C GLY A 37 8.822 10.828 3.372 1.00 0.00 C ATOM 445 O GLY A 37 8.939 9.644 3.059 1.00 0.00 O ATOM 0 H GLY A 37 7.509 13.557 3.003 1.00 0.00 H new ATOM 0 HA2 GLY A 37 7.678 11.661 1.766 1.00 0.00 H new ATOM 0 HA3 GLY A 37 9.408 11.887 1.606 1.00 0.00 H new ATOM 449 N GLU A 38 8.879 11.254 4.625 1.00 0.00 N ATOM 450 CA GLU A 38 9.115 10.347 5.740 1.00 0.00 C ATOM 451 C GLU A 38 7.844 9.589 6.110 1.00 0.00 C ATOM 452 O GLU A 38 7.900 8.464 6.605 1.00 0.00 O ATOM 453 CB GLU A 38 9.661 11.110 6.960 1.00 0.00 C ATOM 454 CG GLU A 38 9.245 12.580 7.046 1.00 0.00 C ATOM 455 CD GLU A 38 7.742 12.790 7.040 1.00 0.00 C ATOM 456 OE1 GLU A 38 7.119 12.745 8.118 1.00 0.00 O ATOM 457 OE2 GLU A 38 7.176 12.995 5.944 1.00 0.00 O ATOM 0 H GLU A 38 8.764 12.230 4.897 1.00 0.00 H new ATOM 0 HA GLU A 38 9.864 9.620 5.425 1.00 0.00 H new ATOM 0 HB2 GLU A 38 9.330 10.601 7.865 1.00 0.00 H new ATOM 0 HB3 GLU A 38 10.750 11.057 6.945 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.660 13.013 7.956 1.00 0.00 H new ATOM 0 HG3 GLU A 38 9.682 13.122 6.207 1.00 0.00 H new ATOM 464 N THR A 39 6.700 10.204 5.857 1.00 0.00 N ATOM 465 CA THR A 39 5.425 9.609 6.211 1.00 0.00 C ATOM 466 C THR A 39 5.106 8.427 5.299 1.00 0.00 C ATOM 467 O THR A 39 4.823 7.336 5.783 1.00 0.00 O ATOM 468 CB THR A 39 4.291 10.649 6.153 1.00 0.00 C ATOM 469 OG1 THR A 39 4.635 11.786 6.960 1.00 0.00 O ATOM 470 CG2 THR A 39 2.979 10.058 6.646 1.00 0.00 C ATOM 0 H THR A 39 6.630 11.117 5.407 1.00 0.00 H new ATOM 0 HA THR A 39 5.503 9.246 7.236 1.00 0.00 H new ATOM 0 HB THR A 39 4.163 10.955 5.115 1.00 0.00 H new ATOM 0 HG1 THR A 39 3.912 12.447 6.920 1.00 0.00 H new ATOM 0 HG21 THR A 39 2.197 10.815 6.594 1.00 0.00 H new ATOM 0 HG22 THR A 39 2.705 9.209 6.020 1.00 0.00 H new ATOM 0 HG23 THR A 39 3.094 9.726 7.678 1.00 0.00 H new ATOM 478 N ILE A 40 5.180 8.638 3.984 1.00 0.00 N ATOM 479 CA ILE A 40 4.905 7.571 3.019 1.00 0.00 C ATOM 480 C ILE A 40 5.839 6.379 3.232 1.00 0.00 C ATOM 481 O ILE A 40 5.436 5.222 3.095 1.00 0.00 O ATOM 482 CB ILE A 40 5.025 8.070 1.556 1.00 0.00 C ATOM 483 CG1 ILE A 40 4.778 6.920 0.574 1.00 0.00 C ATOM 484 CG2 ILE A 40 6.386 8.710 1.305 1.00 0.00 C ATOM 485 CD1 ILE A 40 4.946 7.314 -0.875 1.00 0.00 C ATOM 0 H ILE A 40 5.427 9.534 3.563 1.00 0.00 H new ATOM 0 HA ILE A 40 3.877 7.253 3.190 1.00 0.00 H new ATOM 0 HB ILE A 40 4.262 8.831 1.395 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.465 6.105 0.802 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.768 6.537 0.723 1.00 0.00 H new ATOM 0 HG21 ILE A 40 6.443 9.051 0.271 1.00 0.00 H new ATOM 0 HG22 ILE A 40 6.518 9.560 1.975 1.00 0.00 H new ATOM 0 HG23 ILE A 40 7.172 7.978 1.489 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.756 6.450 -1.511 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.240 8.108 -1.120 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.963 7.669 -1.040 1.00 0.00 H new ATOM 497 N LYS A 41 7.084 6.676 3.588 1.00 0.00 N ATOM 498 CA LYS A 41 8.077 5.648 3.866 1.00 0.00 C ATOM 499 C LYS A 41 7.631 4.797 5.053 1.00 0.00 C ATOM 500 O LYS A 41 7.774 3.576 5.049 1.00 0.00 O ATOM 501 CB LYS A 41 9.426 6.308 4.162 1.00 0.00 C ATOM 502 CG LYS A 41 10.574 5.329 4.327 1.00 0.00 C ATOM 503 CD LYS A 41 11.871 6.054 4.661 1.00 0.00 C ATOM 504 CE LYS A 41 13.030 5.086 4.827 1.00 0.00 C ATOM 505 NZ LYS A 41 13.354 4.373 3.564 1.00 0.00 N ATOM 0 H LYS A 41 7.430 7.630 3.691 1.00 0.00 H new ATOM 0 HA LYS A 41 8.181 5.000 2.995 1.00 0.00 H new ATOM 0 HB2 LYS A 41 9.665 6.998 3.353 1.00 0.00 H new ATOM 0 HB3 LYS A 41 9.336 6.902 5.072 1.00 0.00 H new ATOM 0 HG2 LYS A 41 10.338 4.617 5.118 1.00 0.00 H new ATOM 0 HG3 LYS A 41 10.701 4.755 3.409 1.00 0.00 H new ATOM 0 HD2 LYS A 41 12.103 6.767 3.870 1.00 0.00 H new ATOM 0 HD3 LYS A 41 11.741 6.627 5.579 1.00 0.00 H new ATOM 0 HE2 LYS A 41 13.909 5.631 5.170 1.00 0.00 H new ATOM 0 HE3 LYS A 41 12.785 4.358 5.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 14.249 3.855 3.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 12.592 3.702 3.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 13.449 5.062 2.791 1.00 0.00 H new ATOM 519 N GLN A 42 7.064 5.460 6.052 1.00 0.00 N ATOM 520 CA GLN A 42 6.602 4.789 7.257 1.00 0.00 C ATOM 521 C GLN A 42 5.300 4.048 7.010 1.00 0.00 C ATOM 522 O GLN A 42 5.110 2.958 7.527 1.00 0.00 O ATOM 523 CB GLN A 42 6.424 5.795 8.392 1.00 0.00 C ATOM 524 CG GLN A 42 7.733 6.220 9.027 1.00 0.00 C ATOM 525 CD GLN A 42 7.565 7.359 10.012 1.00 0.00 C ATOM 526 OE1 GLN A 42 7.325 7.144 11.200 1.00 0.00 O ATOM 527 NE2 GLN A 42 7.699 8.579 9.523 1.00 0.00 N ATOM 0 H GLN A 42 6.913 6.469 6.050 1.00 0.00 H new ATOM 0 HA GLN A 42 7.360 4.059 7.543 1.00 0.00 H new ATOM 0 HB2 GLN A 42 5.911 6.677 8.009 1.00 0.00 H new ATOM 0 HB3 GLN A 42 5.782 5.359 9.157 1.00 0.00 H new ATOM 0 HG2 GLN A 42 8.178 5.366 9.538 1.00 0.00 H new ATOM 0 HG3 GLN A 42 8.430 6.522 8.245 1.00 0.00 H new ATOM 0 HE21 GLN A 42 7.898 8.712 8.531 1.00 0.00 H new ATOM 0 HE22 GLN A 42 7.604 9.388 10.137 1.00 0.00 H new ATOM 536 N LEU A 43 4.414 4.637 6.210 1.00 0.00 N ATOM 537 CA LEU A 43 3.104 4.044 5.926 1.00 0.00 C ATOM 538 C LEU A 43 3.238 2.612 5.427 1.00 0.00 C ATOM 539 O LEU A 43 2.464 1.732 5.812 1.00 0.00 O ATOM 540 CB LEU A 43 2.353 4.871 4.887 1.00 0.00 C ATOM 541 CG LEU A 43 2.079 6.318 5.289 1.00 0.00 C ATOM 542 CD1 LEU A 43 1.503 7.087 4.115 1.00 0.00 C ATOM 543 CD2 LEU A 43 1.130 6.369 6.477 1.00 0.00 C ATOM 0 H LEU A 43 4.578 5.529 5.744 1.00 0.00 H new ATOM 0 HA LEU A 43 2.543 4.037 6.860 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.926 4.870 3.960 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.402 4.383 4.674 1.00 0.00 H new ATOM 0 HG LEU A 43 3.020 6.783 5.582 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.312 8.118 4.414 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.213 7.075 3.288 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.570 6.622 3.798 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.945 7.408 6.751 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.187 5.891 6.211 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.576 5.845 7.322 1.00 0.00 H new ATOM 555 N GLN A 44 4.233 2.389 4.581 1.00 0.00 N ATOM 556 CA GLN A 44 4.506 1.068 4.045 1.00 0.00 C ATOM 557 C GLN A 44 4.811 0.090 5.177 1.00 0.00 C ATOM 558 O GLN A 44 4.318 -1.036 5.191 1.00 0.00 O ATOM 559 CB GLN A 44 5.686 1.135 3.073 1.00 0.00 C ATOM 560 CG GLN A 44 5.502 2.161 1.969 1.00 0.00 C ATOM 561 CD GLN A 44 6.681 2.217 1.021 1.00 0.00 C ATOM 562 OE1 GLN A 44 7.352 1.212 0.788 1.00 0.00 O ATOM 563 NE2 GLN A 44 6.939 3.393 0.476 1.00 0.00 N ATOM 0 H GLN A 44 4.869 3.115 4.250 1.00 0.00 H new ATOM 0 HA GLN A 44 3.625 0.715 3.510 1.00 0.00 H new ATOM 0 HB2 GLN A 44 6.593 1.371 3.630 1.00 0.00 H new ATOM 0 HB3 GLN A 44 5.834 0.153 2.625 1.00 0.00 H new ATOM 0 HG2 GLN A 44 4.599 1.925 1.406 1.00 0.00 H new ATOM 0 HG3 GLN A 44 5.352 3.145 2.414 1.00 0.00 H new ATOM 0 HE21 GLN A 44 6.354 4.198 0.700 1.00 0.00 H new ATOM 0 HE22 GLN A 44 7.723 3.495 -0.168 1.00 0.00 H new ATOM 572 N GLU A 45 5.598 0.539 6.141 1.00 0.00 N ATOM 573 CA GLU A 45 5.997 -0.307 7.256 1.00 0.00 C ATOM 574 C GLU A 45 4.898 -0.370 8.316 1.00 0.00 C ATOM 575 O GLU A 45 4.757 -1.372 9.014 1.00 0.00 O ATOM 576 CB GLU A 45 7.294 0.214 7.860 1.00 0.00 C ATOM 577 CG GLU A 45 8.385 0.420 6.823 1.00 0.00 C ATOM 578 CD GLU A 45 9.706 0.840 7.424 1.00 0.00 C ATOM 579 OE1 GLU A 45 9.765 1.912 8.053 1.00 0.00 O ATOM 580 OE2 GLU A 45 10.702 0.106 7.248 1.00 0.00 O ATOM 0 H GLU A 45 5.974 1.486 6.175 1.00 0.00 H new ATOM 0 HA GLU A 45 6.159 -1.319 6.884 1.00 0.00 H new ATOM 0 HB2 GLU A 45 7.099 1.158 8.368 1.00 0.00 H new ATOM 0 HB3 GLU A 45 7.645 -0.488 8.616 1.00 0.00 H new ATOM 0 HG2 GLU A 45 8.525 -0.505 6.264 1.00 0.00 H new ATOM 0 HG3 GLU A 45 8.061 1.177 6.109 1.00 0.00 H new ATOM 587 N ARG A 46 4.116 0.707 8.412 1.00 0.00 N ATOM 588 CA ARG A 46 2.986 0.783 9.343 1.00 0.00 C ATOM 589 C ARG A 46 2.070 -0.419 9.177 1.00 0.00 C ATOM 590 O ARG A 46 1.655 -1.044 10.152 1.00 0.00 O ATOM 591 CB ARG A 46 2.175 2.063 9.089 1.00 0.00 C ATOM 592 CG ARG A 46 2.860 3.344 9.538 1.00 0.00 C ATOM 593 CD ARG A 46 2.618 3.619 11.011 1.00 0.00 C ATOM 594 NE ARG A 46 1.278 4.161 11.249 1.00 0.00 N ATOM 595 CZ ARG A 46 0.475 3.781 12.241 1.00 0.00 C ATOM 596 NH1 ARG A 46 0.866 2.865 13.118 1.00 0.00 N ATOM 597 NH2 ARG A 46 -0.725 4.336 12.354 1.00 0.00 N ATOM 0 H ARG A 46 4.246 1.548 7.850 1.00 0.00 H new ATOM 0 HA ARG A 46 3.387 0.793 10.357 1.00 0.00 H new ATOM 0 HB2 ARG A 46 1.960 2.136 8.023 1.00 0.00 H new ATOM 0 HB3 ARG A 46 1.217 1.979 9.603 1.00 0.00 H new ATOM 0 HG2 ARG A 46 3.931 3.269 9.352 1.00 0.00 H new ATOM 0 HG3 ARG A 46 2.492 4.181 8.945 1.00 0.00 H new ATOM 0 HD2 ARG A 46 2.743 2.697 11.579 1.00 0.00 H new ATOM 0 HD3 ARG A 46 3.365 4.323 11.377 1.00 0.00 H new ATOM 0 HE ARG A 46 0.936 4.879 10.611 1.00 0.00 H new ATOM 0 HH11 ARG A 46 1.791 2.443 13.037 1.00 0.00 H new ATOM 0 HH12 ARG A 46 0.241 2.583 13.873 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -1.024 5.046 11.685 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -1.349 4.053 13.110 1.00 0.00 H new ATOM 611 N ALA A 47 1.774 -0.747 7.931 1.00 0.00 N ATOM 612 CA ALA A 47 0.879 -1.850 7.635 1.00 0.00 C ATOM 613 C ALA A 47 1.649 -3.089 7.195 1.00 0.00 C ATOM 614 O ALA A 47 1.091 -4.180 7.111 1.00 0.00 O ATOM 615 CB ALA A 47 -0.112 -1.436 6.565 1.00 0.00 C ATOM 0 H ALA A 47 2.140 -0.265 7.110 1.00 0.00 H new ATOM 0 HA ALA A 47 0.339 -2.104 8.547 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.781 -2.268 6.347 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.694 -0.585 6.918 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.426 -1.156 5.659 1.00 0.00 H new ATOM 621 N GLY A 48 2.936 -2.911 6.924 1.00 0.00 N ATOM 622 CA GLY A 48 3.753 -4.010 6.439 1.00 0.00 C ATOM 623 C GLY A 48 3.474 -4.327 4.979 1.00 0.00 C ATOM 624 O GLY A 48 3.602 -5.473 4.540 1.00 0.00 O ATOM 0 H GLY A 48 3.430 -2.025 7.031 1.00 0.00 H new ATOM 0 HA2 GLY A 48 4.807 -3.759 6.560 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.565 -4.896 7.045 1.00 0.00 H new ATOM 628 N VAL A 49 3.091 -3.305 4.230 1.00 0.00 N ATOM 629 CA VAL A 49 2.737 -3.452 2.823 1.00 0.00 C ATOM 630 C VAL A 49 3.645 -2.599 1.954 1.00 0.00 C ATOM 631 O VAL A 49 4.498 -1.871 2.458 1.00 0.00 O ATOM 632 CB VAL A 49 1.280 -3.015 2.557 1.00 0.00 C ATOM 633 CG1 VAL A 49 0.296 -3.958 3.217 1.00 0.00 C ATOM 634 CG2 VAL A 49 1.055 -1.585 3.033 1.00 0.00 C ATOM 0 H VAL A 49 3.016 -2.349 4.578 1.00 0.00 H new ATOM 0 HA VAL A 49 2.852 -4.508 2.577 1.00 0.00 H new ATOM 0 HB VAL A 49 1.109 -3.053 1.481 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.721 -3.624 3.012 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.435 -4.964 2.821 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.465 -3.965 4.294 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.023 -1.295 2.837 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.253 -1.522 4.103 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.728 -0.914 2.500 1.00 0.00 H new ATOM 644 N LYS A 50 3.457 -2.690 0.653 1.00 0.00 N ATOM 645 CA LYS A 50 4.145 -1.801 -0.260 1.00 0.00 C ATOM 646 C LYS A 50 3.164 -0.767 -0.781 1.00 0.00 C ATOM 647 O LYS A 50 2.140 -1.115 -1.366 1.00 0.00 O ATOM 648 CB LYS A 50 4.750 -2.586 -1.427 1.00 0.00 C ATOM 649 CG LYS A 50 5.391 -1.699 -2.485 1.00 0.00 C ATOM 650 CD LYS A 50 5.932 -2.512 -3.648 1.00 0.00 C ATOM 651 CE LYS A 50 6.444 -1.614 -4.764 1.00 0.00 C ATOM 652 NZ LYS A 50 7.568 -0.744 -4.321 1.00 0.00 N ATOM 0 H LYS A 50 2.837 -3.366 0.207 1.00 0.00 H new ATOM 0 HA LYS A 50 4.957 -1.303 0.271 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.499 -3.277 -1.041 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.970 -3.189 -1.893 1.00 0.00 H new ATOM 0 HG2 LYS A 50 4.656 -0.982 -2.853 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.200 -1.124 -2.036 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.739 -3.157 -3.299 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.148 -3.163 -4.034 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.773 -2.230 -5.601 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.628 -0.991 -5.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.949 -0.226 -5.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 7.224 -0.066 -3.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.318 -1.331 -3.904 1.00 0.00 H new ATOM 666 N MET A 51 3.474 0.498 -0.567 1.00 0.00 N ATOM 667 CA MET A 51 2.622 1.575 -1.043 1.00 0.00 C ATOM 668 C MET A 51 3.402 2.403 -2.044 1.00 0.00 C ATOM 669 O MET A 51 4.403 3.025 -1.691 1.00 0.00 O ATOM 670 CB MET A 51 2.160 2.462 0.119 1.00 0.00 C ATOM 671 CG MET A 51 1.597 1.688 1.300 1.00 0.00 C ATOM 672 SD MET A 51 0.694 2.733 2.456 1.00 0.00 S ATOM 673 CE MET A 51 -0.633 3.308 1.404 1.00 0.00 C ATOM 0 H MET A 51 4.308 0.806 -0.067 1.00 0.00 H new ATOM 0 HA MET A 51 1.736 1.149 -1.514 1.00 0.00 H new ATOM 0 HB2 MET A 51 3.002 3.064 0.460 1.00 0.00 H new ATOM 0 HB3 MET A 51 1.400 3.154 -0.245 1.00 0.00 H new ATOM 0 HG2 MET A 51 0.934 0.905 0.932 1.00 0.00 H new ATOM 0 HG3 MET A 51 2.413 1.193 1.826 1.00 0.00 H new ATOM 0 HE1 MET A 51 -0.468 4.355 1.149 1.00 0.00 H new ATOM 0 HE2 MET A 51 -0.658 2.712 0.492 1.00 0.00 H new ATOM 0 HE3 MET A 51 -1.583 3.208 1.929 1.00 0.00 H new ATOM 683 N ILE A 52 2.962 2.402 -3.286 1.00 0.00 N ATOM 684 CA ILE A 52 3.655 3.140 -4.323 1.00 0.00 C ATOM 685 C ILE A 52 2.829 4.331 -4.786 1.00 0.00 C ATOM 686 O ILE A 52 1.762 4.180 -5.385 1.00 0.00 O ATOM 687 CB ILE A 52 4.043 2.241 -5.527 1.00 0.00 C ATOM 688 CG1 ILE A 52 4.681 3.082 -6.642 1.00 0.00 C ATOM 689 CG2 ILE A 52 2.839 1.470 -6.053 1.00 0.00 C ATOM 690 CD1 ILE A 52 5.185 2.261 -7.810 1.00 0.00 C ATOM 0 H ILE A 52 2.131 1.901 -3.601 1.00 0.00 H new ATOM 0 HA ILE A 52 4.583 3.508 -3.884 1.00 0.00 H new ATOM 0 HB ILE A 52 4.776 1.513 -5.180 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.949 3.803 -7.005 1.00 0.00 H new ATOM 0 HG13 ILE A 52 5.511 3.653 -6.225 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.144 0.850 -6.896 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.439 0.836 -5.262 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.071 2.172 -6.378 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.622 2.922 -8.558 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.941 1.558 -7.461 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.355 1.711 -8.253 1.00 0.00 H new ATOM 702 N LEU A 53 3.312 5.514 -4.456 1.00 0.00 N ATOM 703 CA LEU A 53 2.696 6.746 -4.909 1.00 0.00 C ATOM 704 C LEU A 53 3.377 7.214 -6.180 1.00 0.00 C ATOM 705 O LEU A 53 4.491 7.738 -6.135 1.00 0.00 O ATOM 706 CB LEU A 53 2.787 7.840 -3.839 1.00 0.00 C ATOM 707 CG LEU A 53 1.634 7.892 -2.830 1.00 0.00 C ATOM 708 CD1 LEU A 53 0.301 8.009 -3.552 1.00 0.00 C ATOM 709 CD2 LEU A 53 1.648 6.676 -1.918 1.00 0.00 C ATOM 0 H LEU A 53 4.137 5.648 -3.871 1.00 0.00 H new ATOM 0 HA LEU A 53 1.641 6.551 -5.103 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.719 7.706 -3.289 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.849 8.806 -4.340 1.00 0.00 H new ATOM 0 HG LEU A 53 1.769 8.776 -2.207 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.507 8.045 -2.821 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.290 8.920 -4.150 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.163 7.146 -4.203 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.819 6.740 -1.213 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.546 5.771 -2.517 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.589 6.644 -1.369 1.00 0.00 H new ATOM 721 N ILE A 54 2.715 7.013 -7.307 1.00 0.00 N ATOM 722 CA ILE A 54 3.270 7.393 -8.595 1.00 0.00 C ATOM 723 C ILE A 54 3.188 8.906 -8.779 1.00 0.00 C ATOM 724 O ILE A 54 2.214 9.440 -9.313 1.00 0.00 O ATOM 725 CB ILE A 54 2.553 6.660 -9.752 1.00 0.00 C ATOM 726 CG1 ILE A 54 2.691 5.145 -9.561 1.00 0.00 C ATOM 727 CG2 ILE A 54 3.121 7.086 -11.104 1.00 0.00 C ATOM 728 CD1 ILE A 54 1.978 4.320 -10.611 1.00 0.00 C ATOM 0 H ILE A 54 1.789 6.587 -7.356 1.00 0.00 H new ATOM 0 HA ILE A 54 4.318 7.095 -8.615 1.00 0.00 H new ATOM 0 HB ILE A 54 1.497 6.928 -9.738 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.749 4.884 -9.567 1.00 0.00 H new ATOM 0 HG13 ILE A 54 2.302 4.877 -8.579 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.600 6.556 -11.901 1.00 0.00 H new ATOM 0 HG22 ILE A 54 2.986 8.160 -11.233 1.00 0.00 H new ATOM 0 HG23 ILE A 54 4.184 6.847 -11.144 1.00 0.00 H new ATOM 0 HD11 ILE A 54 2.125 3.260 -10.403 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.912 4.549 -10.592 1.00 0.00 H new ATOM 0 HD13 ILE A 54 2.382 4.556 -11.595 1.00 0.00 H new ATOM 740 N GLN A 55 4.216 9.584 -8.299 1.00 0.00 N ATOM 741 CA GLN A 55 4.308 11.030 -8.392 1.00 0.00 C ATOM 742 C GLN A 55 5.313 11.402 -9.469 1.00 0.00 C ATOM 743 O GLN A 55 5.189 12.434 -10.131 1.00 0.00 O ATOM 744 CB GLN A 55 4.746 11.623 -7.050 1.00 0.00 C ATOM 745 CG GLN A 55 3.907 11.168 -5.867 1.00 0.00 C ATOM 746 CD GLN A 55 2.439 11.511 -6.020 1.00 0.00 C ATOM 747 OE1 GLN A 55 2.083 12.501 -6.654 1.00 0.00 O ATOM 748 NE2 GLN A 55 1.577 10.696 -5.432 1.00 0.00 N ATOM 0 H GLN A 55 5.011 9.147 -7.833 1.00 0.00 H new ATOM 0 HA GLN A 55 3.328 11.433 -8.649 1.00 0.00 H new ATOM 0 HB2 GLN A 55 5.787 11.354 -6.868 1.00 0.00 H new ATOM 0 HB3 GLN A 55 4.704 12.710 -7.114 1.00 0.00 H new ATOM 0 HG2 GLN A 55 4.013 10.090 -5.746 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.290 11.630 -4.957 1.00 0.00 H new ATOM 0 HE21 GLN A 55 1.914 9.884 -4.915 1.00 0.00 H new ATOM 0 HE22 GLN A 55 0.576 10.880 -5.496 1.00 0.00 H new ATOM 757 N ASP A 56 6.315 10.549 -9.635 1.00 0.00 N ATOM 758 CA ASP A 56 7.327 10.747 -10.662 1.00 0.00 C ATOM 759 C ASP A 56 6.811 10.270 -12.013 1.00 0.00 C ATOM 760 O ASP A 56 7.368 10.606 -13.056 1.00 0.00 O ATOM 761 CB ASP A 56 8.621 10.014 -10.298 1.00 0.00 C ATOM 762 CG ASP A 56 9.345 10.651 -9.126 1.00 0.00 C ATOM 763 OD1 ASP A 56 10.112 11.608 -9.347 1.00 0.00 O ATOM 764 OD2 ASP A 56 9.150 10.204 -7.976 1.00 0.00 O ATOM 0 H ASP A 56 6.448 9.711 -9.069 1.00 0.00 H new ATOM 0 HA ASP A 56 7.544 11.813 -10.727 1.00 0.00 H new ATOM 0 HB2 ASP A 56 8.390 8.976 -10.057 1.00 0.00 H new ATOM 0 HB3 ASP A 56 9.282 10.001 -11.164 1.00 0.00 H new ATOM 769 N GLY A 57 5.742 9.479 -11.985 1.00 0.00 N ATOM 770 CA GLY A 57 5.110 9.037 -13.214 1.00 0.00 C ATOM 771 C GLY A 57 4.241 10.128 -13.806 1.00 0.00 C ATOM 772 O GLY A 57 3.411 10.708 -13.111 1.00 0.00 O ATOM 0 H GLY A 57 5.302 9.136 -11.131 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.874 8.746 -13.935 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.504 8.153 -13.017 1.00 0.00 H new ATOM 776 N SER A 58 4.418 10.394 -15.089 1.00 0.00 N ATOM 777 CA SER A 58 3.783 11.536 -15.735 1.00 0.00 C ATOM 778 C SER A 58 2.333 11.264 -16.138 1.00 0.00 C ATOM 779 O SER A 58 1.673 12.132 -16.710 1.00 0.00 O ATOM 780 CB SER A 58 4.597 11.941 -16.960 1.00 0.00 C ATOM 781 OG SER A 58 4.803 10.837 -17.830 1.00 0.00 O ATOM 0 H SER A 58 5.000 9.832 -15.710 1.00 0.00 H new ATOM 0 HA SER A 58 3.758 12.348 -15.008 1.00 0.00 H new ATOM 0 HB2 SER A 58 4.080 12.738 -17.496 1.00 0.00 H new ATOM 0 HB3 SER A 58 5.560 12.342 -16.643 1.00 0.00 H new ATOM 0 HG SER A 58 5.326 11.126 -18.607 1.00 0.00 H new ATOM 787 N GLN A 59 1.830 10.077 -15.828 1.00 0.00 N ATOM 788 CA GLN A 59 0.481 9.696 -16.232 1.00 0.00 C ATOM 789 C GLN A 59 -0.551 10.567 -15.534 1.00 0.00 C ATOM 790 O GLN A 59 -1.266 11.339 -16.170 1.00 0.00 O ATOM 791 CB GLN A 59 0.191 8.224 -15.920 1.00 0.00 C ATOM 792 CG GLN A 59 1.130 7.246 -16.603 1.00 0.00 C ATOM 793 CD GLN A 59 2.317 6.871 -15.740 1.00 0.00 C ATOM 794 OE1 GLN A 59 2.792 7.663 -14.927 1.00 0.00 O ATOM 795 NE2 GLN A 59 2.794 5.649 -15.902 1.00 0.00 N ATOM 0 H GLN A 59 2.332 9.363 -15.300 1.00 0.00 H new ATOM 0 HA GLN A 59 0.416 9.841 -17.310 1.00 0.00 H new ATOM 0 HB2 GLN A 59 0.250 8.074 -14.842 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -0.832 7.996 -16.218 1.00 0.00 H new ATOM 0 HG2 GLN A 59 0.578 6.343 -16.866 1.00 0.00 H new ATOM 0 HG3 GLN A 59 1.488 7.684 -17.535 1.00 0.00 H new ATOM 0 HE21 GLN A 59 2.371 5.023 -16.587 1.00 0.00 H new ATOM 0 HE22 GLN A 59 3.585 5.332 -15.342 1.00 0.00 H new ATOM 804 N ASN A 60 -0.619 10.448 -14.222 1.00 0.00 N ATOM 805 CA ASN A 60 -1.578 11.211 -13.446 1.00 0.00 C ATOM 806 C ASN A 60 -0.860 12.059 -12.407 1.00 0.00 C ATOM 807 O ASN A 60 -1.400 12.350 -11.346 1.00 0.00 O ATOM 808 CB ASN A 60 -2.585 10.285 -12.759 1.00 0.00 C ATOM 809 CG ASN A 60 -3.472 9.514 -13.726 1.00 0.00 C ATOM 810 OD1 ASN A 60 -3.790 10.112 -14.864 1.00 0.00 O flip ATOM 811 ND2 ASN A 60 -3.879 8.389 -13.442 1.00 0.00 N flip ATOM 0 H ASN A 60 -0.022 9.831 -13.671 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.121 11.866 -14.128 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.043 9.575 -12.133 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.216 10.878 -12.096 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -3.613 7.959 -12.556 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.482 7.886 -14.093 1.00 0.00 H new ATOM 818 N THR A 61 0.362 12.464 -12.728 1.00 0.00 N ATOM 819 CA THR A 61 1.172 13.270 -11.817 1.00 0.00 C ATOM 820 C THR A 61 0.558 14.657 -11.615 1.00 0.00 C ATOM 821 O THR A 61 0.816 15.327 -10.616 1.00 0.00 O ATOM 822 CB THR A 61 2.620 13.417 -12.349 1.00 0.00 C ATOM 823 OG1 THR A 61 3.448 14.097 -11.397 1.00 0.00 O ATOM 824 CG2 THR A 61 2.643 14.173 -13.668 1.00 0.00 C ATOM 0 H THR A 61 0.817 12.248 -13.615 1.00 0.00 H new ATOM 0 HA THR A 61 1.196 12.753 -10.858 1.00 0.00 H new ATOM 0 HB THR A 61 3.011 12.412 -12.509 1.00 0.00 H new ATOM 0 HG1 THR A 61 3.961 13.440 -10.881 1.00 0.00 H new ATOM 0 HG21 THR A 61 3.671 14.262 -14.019 1.00 0.00 H new ATOM 0 HG22 THR A 61 2.053 13.632 -14.408 1.00 0.00 H new ATOM 0 HG23 THR A 61 2.221 15.168 -13.525 1.00 0.00 H new ATOM 832 N ASN A 62 -0.267 15.076 -12.566 1.00 0.00 N ATOM 833 CA ASN A 62 -0.876 16.401 -12.513 1.00 0.00 C ATOM 834 C ASN A 62 -2.296 16.335 -11.943 1.00 0.00 C ATOM 835 O ASN A 62 -2.850 17.344 -11.504 1.00 0.00 O ATOM 836 CB ASN A 62 -0.893 17.023 -13.911 1.00 0.00 C ATOM 837 CG ASN A 62 -1.360 18.465 -13.903 1.00 0.00 C ATOM 838 OD1 ASN A 62 -2.538 18.751 -14.111 1.00 0.00 O ATOM 839 ND2 ASN A 62 -0.439 19.381 -13.651 1.00 0.00 N ATOM 0 H ASN A 62 -0.530 14.521 -13.381 1.00 0.00 H new ATOM 0 HA ASN A 62 -0.278 17.026 -11.850 1.00 0.00 H new ATOM 0 HB2 ASN A 62 0.108 16.972 -14.339 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -1.547 16.437 -14.557 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -0.695 20.368 -13.624 1.00 0.00 H new ATOM 0 HD22 ASN A 62 0.527 19.100 -13.484 1.00 0.00 H new ATOM 846 N VAL A 63 -2.866 15.138 -11.932 1.00 0.00 N ATOM 847 CA VAL A 63 -4.241 14.940 -11.486 1.00 0.00 C ATOM 848 C VAL A 63 -4.290 13.957 -10.321 1.00 0.00 C ATOM 849 O VAL A 63 -3.340 13.870 -9.546 1.00 0.00 O ATOM 850 CB VAL A 63 -5.133 14.420 -12.638 1.00 0.00 C ATOM 851 CG1 VAL A 63 -5.348 15.500 -13.685 1.00 0.00 C ATOM 852 CG2 VAL A 63 -4.521 13.184 -13.275 1.00 0.00 C ATOM 0 H VAL A 63 -2.395 14.283 -12.229 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.623 15.907 -11.158 1.00 0.00 H new ATOM 0 HB VAL A 63 -6.102 14.150 -12.218 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -5.978 15.111 -14.485 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -5.835 16.360 -13.226 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -4.386 15.804 -14.097 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -5.164 12.835 -14.083 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.537 13.430 -13.675 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.422 12.399 -12.525 1.00 0.00 H new ATOM 862 N ASP A 64 -5.408 13.248 -10.189 1.00 0.00 N ATOM 863 CA ASP A 64 -5.542 12.192 -9.190 1.00 0.00 C ATOM 864 C ASP A 64 -4.370 11.226 -9.289 1.00 0.00 C ATOM 865 O ASP A 64 -4.107 10.668 -10.348 1.00 0.00 O ATOM 866 CB ASP A 64 -6.846 11.426 -9.387 1.00 0.00 C ATOM 867 CG ASP A 64 -8.085 12.234 -9.044 1.00 0.00 C ATOM 868 OD1 ASP A 64 -8.485 13.090 -9.860 1.00 0.00 O ATOM 869 OD2 ASP A 64 -8.678 12.004 -7.966 1.00 0.00 O ATOM 0 H ASP A 64 -6.238 13.387 -10.765 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.550 12.656 -8.204 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -6.912 11.099 -10.425 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.826 10.528 -8.770 1.00 0.00 H new ATOM 874 N LYS A 65 -3.692 11.008 -8.177 1.00 0.00 N ATOM 875 CA LYS A 65 -2.414 10.309 -8.192 1.00 0.00 C ATOM 876 C LYS A 65 -2.606 8.808 -8.218 1.00 0.00 C ATOM 877 O LYS A 65 -3.445 8.273 -7.492 1.00 0.00 O ATOM 878 CB LYS A 65 -1.580 10.687 -6.970 1.00 0.00 C ATOM 879 CG LYS A 65 -1.373 12.186 -6.816 1.00 0.00 C ATOM 880 CD LYS A 65 -0.692 12.771 -8.041 1.00 0.00 C ATOM 881 CE LYS A 65 -0.504 14.276 -7.924 1.00 0.00 C ATOM 882 NZ LYS A 65 0.433 14.645 -6.832 1.00 0.00 N ATOM 0 H LYS A 65 -4.002 11.303 -7.251 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.890 10.611 -9.099 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -2.067 10.302 -6.074 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -0.608 10.199 -7.039 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -2.335 12.675 -6.662 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -0.769 12.384 -5.931 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.278 12.294 -8.179 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -1.286 12.548 -8.927 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -0.128 14.667 -8.869 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.470 14.748 -7.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -0.084 15.158 -6.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 0.853 13.783 -6.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.187 15.253 -7.212 1.00 0.00 H new ATOM 896 N PRO A 66 -1.829 8.115 -9.059 1.00 0.00 N ATOM 897 CA PRO A 66 -1.837 6.659 -9.135 1.00 0.00 C ATOM 898 C PRO A 66 -1.182 6.037 -7.908 1.00 0.00 C ATOM 899 O PRO A 66 0.030 6.147 -7.706 1.00 0.00 O ATOM 900 CB PRO A 66 -1.022 6.343 -10.398 1.00 0.00 C ATOM 901 CG PRO A 66 -0.824 7.650 -11.089 1.00 0.00 C ATOM 902 CD PRO A 66 -0.883 8.697 -10.018 1.00 0.00 C ATOM 0 HA PRO A 66 -2.849 6.256 -9.172 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.066 5.886 -10.143 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -1.551 5.638 -11.039 1.00 0.00 H new ATOM 0 HG2 PRO A 66 0.134 7.676 -11.607 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -1.597 7.816 -11.839 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.094 8.873 -9.568 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -1.234 9.654 -10.404 1.00 0.00 H new ATOM 910 N LEU A 67 -1.992 5.403 -7.084 1.00 0.00 N ATOM 911 CA LEU A 67 -1.506 4.745 -5.887 1.00 0.00 C ATOM 912 C LEU A 67 -1.719 3.251 -6.011 1.00 0.00 C ATOM 913 O LEU A 67 -2.740 2.812 -6.537 1.00 0.00 O ATOM 914 CB LEU A 67 -2.243 5.306 -4.653 1.00 0.00 C ATOM 915 CG LEU A 67 -2.034 4.585 -3.304 1.00 0.00 C ATOM 916 CD1 LEU A 67 -2.838 3.303 -3.221 1.00 0.00 C ATOM 917 CD2 LEU A 67 -0.562 4.313 -3.040 1.00 0.00 C ATOM 0 H LEU A 67 -3.000 5.329 -7.223 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.439 4.934 -5.766 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.943 6.346 -4.527 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.311 5.306 -4.871 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.398 5.257 -2.527 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.663 2.826 -2.257 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.899 3.531 -3.326 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.531 2.629 -4.020 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.452 3.805 -2.082 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.160 3.683 -3.834 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.016 5.256 -3.015 1.00 0.00 H new ATOM 929 N ARG A 68 -0.761 2.470 -5.539 1.00 0.00 N ATOM 930 CA ARG A 68 -0.979 1.046 -5.389 1.00 0.00 C ATOM 931 C ARG A 68 -0.475 0.545 -4.047 1.00 0.00 C ATOM 932 O ARG A 68 0.685 0.748 -3.685 1.00 0.00 O ATOM 933 CB ARG A 68 -0.327 0.244 -6.519 1.00 0.00 C ATOM 934 CG ARG A 68 -1.069 0.320 -7.837 1.00 0.00 C ATOM 935 CD ARG A 68 -0.510 -0.665 -8.847 1.00 0.00 C ATOM 936 NE ARG A 68 -1.280 -0.673 -10.091 1.00 0.00 N ATOM 937 CZ ARG A 68 -1.060 -1.523 -11.092 1.00 0.00 C ATOM 938 NH1 ARG A 68 -0.110 -2.447 -10.986 1.00 0.00 N ATOM 939 NH2 ARG A 68 -1.800 -1.455 -12.191 1.00 0.00 N ATOM 0 H ARG A 68 0.164 2.796 -5.257 1.00 0.00 H new ATOM 0 HA ARG A 68 -2.057 0.892 -5.439 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.691 0.605 -6.666 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -0.255 -0.800 -6.214 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -2.127 0.114 -7.673 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -1.000 1.332 -8.237 1.00 0.00 H new ATOM 0 HD2 ARG A 68 0.527 -0.411 -9.065 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -0.509 -1.666 -8.415 1.00 0.00 H new ATOM 0 HE ARG A 68 -2.028 0.012 -10.198 1.00 0.00 H new ATOM 0 HH11 ARG A 68 0.452 -2.506 -10.137 1.00 0.00 H new ATOM 0 HH12 ARG A 68 0.057 -3.097 -11.754 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -2.536 -0.753 -12.268 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -1.633 -2.105 -12.959 1.00 0.00 H new ATOM 953 N ILE A 69 -1.373 -0.083 -3.307 1.00 0.00 N ATOM 954 CA ILE A 69 -1.027 -0.746 -2.061 1.00 0.00 C ATOM 955 C ILE A 69 -0.963 -2.246 -2.292 1.00 0.00 C ATOM 956 O ILE A 69 -1.995 -2.901 -2.424 1.00 0.00 O ATOM 957 CB ILE A 69 -2.069 -0.457 -0.971 1.00 0.00 C ATOM 958 CG1 ILE A 69 -2.319 1.041 -0.871 1.00 0.00 C ATOM 959 CG2 ILE A 69 -1.598 -1.001 0.368 1.00 0.00 C ATOM 960 CD1 ILE A 69 -3.630 1.383 -0.214 1.00 0.00 C ATOM 0 H ILE A 69 -2.361 -0.148 -3.552 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.060 -0.367 -1.730 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.002 -0.953 -1.239 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.507 1.501 -0.308 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.298 1.474 -1.871 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -2.347 -0.789 1.131 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -1.453 -2.079 0.292 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -0.656 -0.526 0.642 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -3.746 2.466 -0.175 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -4.449 0.951 -0.789 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -3.646 0.979 0.798 1.00 0.00 H new ATOM 972 N ILE A 70 0.238 -2.779 -2.356 1.00 0.00 N ATOM 973 CA ILE A 70 0.428 -4.180 -2.675 1.00 0.00 C ATOM 974 C ILE A 70 0.756 -4.969 -1.412 1.00 0.00 C ATOM 975 O ILE A 70 1.679 -4.613 -0.673 1.00 0.00 O ATOM 976 CB ILE A 70 1.563 -4.361 -3.705 1.00 0.00 C ATOM 977 CG1 ILE A 70 1.451 -3.304 -4.811 1.00 0.00 C ATOM 978 CG2 ILE A 70 1.511 -5.756 -4.306 1.00 0.00 C ATOM 979 CD1 ILE A 70 2.579 -3.357 -5.819 1.00 0.00 C ATOM 0 H ILE A 70 1.102 -2.262 -2.191 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.500 -4.556 -3.106 1.00 0.00 H new ATOM 0 HB ILE A 70 2.518 -4.235 -3.196 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.503 -3.436 -5.333 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.429 -2.314 -4.355 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.317 -5.870 -5.031 1.00 0.00 H new ATOM 0 HG22 ILE A 70 1.626 -6.497 -3.515 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.552 -5.902 -4.803 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.432 -2.581 -6.570 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.529 -3.195 -5.310 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.589 -4.333 -6.303 1.00 0.00 H new ATOM 991 N GLY A 71 -0.018 -6.016 -1.152 1.00 0.00 N ATOM 992 CA GLY A 71 0.236 -6.848 0.004 1.00 0.00 C ATOM 993 C GLY A 71 -0.887 -7.826 0.286 1.00 0.00 C ATOM 994 O GLY A 71 -1.264 -8.621 -0.573 1.00 0.00 O ATOM 0 H GLY A 71 -0.815 -6.302 -1.721 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.163 -7.401 -0.150 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.385 -6.212 0.877 1.00 0.00 H new ATOM 998 N ASP A 72 -1.426 -7.749 1.493 1.00 0.00 N ATOM 999 CA ASP A 72 -2.462 -8.666 1.950 1.00 0.00 C ATOM 1000 C ASP A 72 -3.756 -7.908 2.194 1.00 0.00 C ATOM 1001 O ASP A 72 -3.702 -6.803 2.728 1.00 0.00 O ATOM 1002 CB ASP A 72 -2.012 -9.342 3.248 1.00 0.00 C ATOM 1003 CG ASP A 72 -3.068 -10.253 3.843 1.00 0.00 C ATOM 1004 OD1 ASP A 72 -3.914 -9.761 4.618 1.00 0.00 O ATOM 1005 OD2 ASP A 72 -3.052 -11.460 3.544 1.00 0.00 O ATOM 0 H ASP A 72 -1.158 -7.049 2.185 1.00 0.00 H new ATOM 0 HA ASP A 72 -2.631 -9.423 1.184 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.109 -9.921 3.055 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.749 -8.576 3.977 1.00 0.00 H new ATOM 1010 N PRO A 73 -4.917 -8.473 1.810 1.00 0.00 N ATOM 1011 CA PRO A 73 -6.219 -7.802 1.922 1.00 0.00 C ATOM 1012 C PRO A 73 -6.372 -7.020 3.223 1.00 0.00 C ATOM 1013 O PRO A 73 -6.824 -5.872 3.226 1.00 0.00 O ATOM 1014 CB PRO A 73 -7.208 -8.962 1.889 1.00 0.00 C ATOM 1015 CG PRO A 73 -6.541 -10.009 1.065 1.00 0.00 C ATOM 1016 CD PRO A 73 -5.052 -9.827 1.245 1.00 0.00 C ATOM 0 HA PRO A 73 -6.363 -7.065 1.132 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.423 -9.327 2.893 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -8.158 -8.659 1.450 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -6.849 -11.005 1.383 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.818 -9.909 0.016 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -4.637 -10.581 1.914 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -4.523 -9.917 0.296 1.00 0.00 H new ATOM 1024 N TYR A 74 -5.946 -7.648 4.312 1.00 0.00 N ATOM 1025 CA TYR A 74 -6.036 -7.075 5.647 1.00 0.00 C ATOM 1026 C TYR A 74 -5.244 -5.769 5.747 1.00 0.00 C ATOM 1027 O TYR A 74 -5.811 -4.706 6.001 1.00 0.00 O ATOM 1028 CB TYR A 74 -5.512 -8.106 6.652 1.00 0.00 C ATOM 1029 CG TYR A 74 -5.441 -7.645 8.086 1.00 0.00 C ATOM 1030 CD1 TYR A 74 -6.594 -7.449 8.833 1.00 0.00 C ATOM 1031 CD2 TYR A 74 -4.212 -7.433 8.699 1.00 0.00 C ATOM 1032 CE1 TYR A 74 -6.524 -7.059 10.154 1.00 0.00 C ATOM 1033 CE2 TYR A 74 -4.135 -7.039 10.018 1.00 0.00 C ATOM 1034 CZ TYR A 74 -5.293 -6.850 10.740 1.00 0.00 C ATOM 1035 OH TYR A 74 -5.220 -6.460 12.058 1.00 0.00 O ATOM 0 H TYR A 74 -5.525 -8.577 4.292 1.00 0.00 H new ATOM 0 HA TYR A 74 -7.076 -6.834 5.868 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -6.150 -8.989 6.605 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.515 -8.416 6.340 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -7.559 -7.604 8.374 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -3.303 -7.579 8.134 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -7.429 -6.918 10.727 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -3.173 -6.880 10.482 1.00 0.00 H new ATOM 0 HH TYR A 74 -4.281 -6.357 12.317 1.00 0.00 H new ATOM 1045 N LYS A 75 -3.937 -5.845 5.518 1.00 0.00 N ATOM 1046 CA LYS A 75 -3.075 -4.675 5.668 1.00 0.00 C ATOM 1047 C LYS A 75 -3.208 -3.714 4.502 1.00 0.00 C ATOM 1048 O LYS A 75 -2.942 -2.527 4.649 1.00 0.00 O ATOM 1049 CB LYS A 75 -1.609 -5.066 5.866 1.00 0.00 C ATOM 1050 CG LYS A 75 -1.136 -6.264 5.057 1.00 0.00 C ATOM 1051 CD LYS A 75 0.288 -6.638 5.448 1.00 0.00 C ATOM 1052 CE LYS A 75 0.895 -7.671 4.517 1.00 0.00 C ATOM 1053 NZ LYS A 75 2.339 -7.883 4.811 1.00 0.00 N ATOM 0 H LYS A 75 -3.454 -6.696 5.230 1.00 0.00 H new ATOM 0 HA LYS A 75 -3.415 -4.162 6.568 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -0.985 -4.209 5.612 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.447 -5.277 6.923 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -1.801 -7.111 5.226 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.179 -6.032 3.993 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.909 -5.742 5.445 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.292 -7.025 6.467 1.00 0.00 H new ATOM 0 HE2 LYS A 75 0.359 -8.615 4.618 1.00 0.00 H new ATOM 0 HE3 LYS A 75 0.776 -7.346 3.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.729 -8.582 4.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.850 -6.983 4.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.447 -8.232 5.785 1.00 0.00 H new ATOM 1067 N VAL A 76 -3.631 -4.212 3.353 1.00 0.00 N ATOM 1068 CA VAL A 76 -3.851 -3.349 2.205 1.00 0.00 C ATOM 1069 C VAL A 76 -5.015 -2.421 2.498 1.00 0.00 C ATOM 1070 O VAL A 76 -4.972 -1.230 2.197 1.00 0.00 O ATOM 1071 CB VAL A 76 -4.123 -4.152 0.912 1.00 0.00 C ATOM 1072 CG1 VAL A 76 -4.626 -3.244 -0.200 1.00 0.00 C ATOM 1073 CG2 VAL A 76 -2.862 -4.867 0.462 1.00 0.00 C ATOM 0 H VAL A 76 -3.827 -5.200 3.190 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.941 -2.773 2.036 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.896 -4.889 1.131 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -4.809 -3.835 -1.097 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -5.553 -2.764 0.114 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -3.877 -2.482 -0.414 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.068 -5.429 -0.449 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.078 -4.135 0.268 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.533 -5.552 1.244 1.00 0.00 H new ATOM 1083 N GLN A 77 -6.033 -2.969 3.141 1.00 0.00 N ATOM 1084 CA GLN A 77 -7.203 -2.195 3.487 1.00 0.00 C ATOM 1085 C GLN A 77 -6.897 -1.254 4.649 1.00 0.00 C ATOM 1086 O GLN A 77 -7.295 -0.089 4.629 1.00 0.00 O ATOM 1087 CB GLN A 77 -8.369 -3.114 3.836 1.00 0.00 C ATOM 1088 CG GLN A 77 -9.633 -2.366 4.210 1.00 0.00 C ATOM 1089 CD GLN A 77 -10.101 -1.415 3.122 1.00 0.00 C ATOM 1090 OE1 GLN A 77 -10.883 -1.784 2.248 1.00 0.00 O ATOM 1091 NE2 GLN A 77 -9.622 -0.181 3.169 1.00 0.00 N ATOM 0 H GLN A 77 -6.068 -3.946 3.432 1.00 0.00 H new ATOM 0 HA GLN A 77 -7.486 -1.594 2.623 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -8.578 -3.763 2.986 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -8.078 -3.759 4.665 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -10.425 -3.084 4.423 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -9.458 -1.803 5.127 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -8.975 0.087 3.910 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -9.900 0.501 2.464 1.00 0.00 H new ATOM 1100 N GLN A 78 -6.179 -1.756 5.651 1.00 0.00 N ATOM 1101 CA GLN A 78 -5.789 -0.927 6.788 1.00 0.00 C ATOM 1102 C GLN A 78 -4.923 0.237 6.330 1.00 0.00 C ATOM 1103 O GLN A 78 -5.118 1.372 6.755 1.00 0.00 O ATOM 1104 CB GLN A 78 -5.044 -1.745 7.843 1.00 0.00 C ATOM 1105 CG GLN A 78 -5.926 -2.736 8.581 1.00 0.00 C ATOM 1106 CD GLN A 78 -5.194 -3.443 9.701 1.00 0.00 C ATOM 1107 OE1 GLN A 78 -3.983 -3.655 9.634 1.00 0.00 O ATOM 1108 NE2 GLN A 78 -5.925 -3.813 10.739 1.00 0.00 N ATOM 0 H GLN A 78 -5.858 -2.723 5.699 1.00 0.00 H new ATOM 0 HA GLN A 78 -6.702 -0.537 7.238 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -4.229 -2.286 7.362 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -4.593 -1.065 8.566 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -6.791 -2.213 8.990 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -6.305 -3.476 7.876 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -6.926 -3.617 10.754 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -5.488 -4.294 11.525 1.00 0.00 H new ATOM 1117 N ALA A 79 -3.978 -0.053 5.448 1.00 0.00 N ATOM 1118 CA ALA A 79 -3.108 0.969 4.899 1.00 0.00 C ATOM 1119 C ALA A 79 -3.907 1.965 4.062 1.00 0.00 C ATOM 1120 O ALA A 79 -3.657 3.170 4.103 1.00 0.00 O ATOM 1121 CB ALA A 79 -2.011 0.323 4.071 1.00 0.00 C ATOM 0 H ALA A 79 -3.796 -0.993 5.098 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.647 1.518 5.720 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.361 1.096 3.661 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.426 -0.347 4.701 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.458 -0.245 3.255 1.00 0.00 H new ATOM 1127 N CYS A 80 -4.880 1.446 3.321 1.00 0.00 N ATOM 1128 CA CYS A 80 -5.758 2.267 2.495 1.00 0.00 C ATOM 1129 C CYS A 80 -6.570 3.234 3.338 1.00 0.00 C ATOM 1130 O CYS A 80 -6.525 4.439 3.112 1.00 0.00 O ATOM 1131 CB CYS A 80 -6.692 1.374 1.675 1.00 0.00 C ATOM 1132 SG CYS A 80 -7.906 2.265 0.672 1.00 0.00 S ATOM 0 H CYS A 80 -5.082 0.447 3.276 1.00 0.00 H new ATOM 0 HA CYS A 80 -5.133 2.853 1.821 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -6.089 0.747 1.018 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -7.222 0.706 2.354 1.00 0.00 H new ATOM 0 HG CYS A 80 -8.640 1.413 0.020 1.00 0.00 H new ATOM 1138 N GLU A 81 -7.294 2.721 4.321 1.00 0.00 N ATOM 1139 CA GLU A 81 -8.124 3.579 5.151 1.00 0.00 C ATOM 1140 C GLU A 81 -7.256 4.482 6.019 1.00 0.00 C ATOM 1141 O GLU A 81 -7.713 5.513 6.502 1.00 0.00 O ATOM 1142 CB GLU A 81 -9.106 2.763 6.002 1.00 0.00 C ATOM 1143 CG GLU A 81 -8.461 1.731 6.911 1.00 0.00 C ATOM 1144 CD GLU A 81 -9.487 1.002 7.750 1.00 0.00 C ATOM 1145 OE1 GLU A 81 -9.993 1.594 8.725 1.00 0.00 O ATOM 1146 OE2 GLU A 81 -9.809 -0.160 7.428 1.00 0.00 O ATOM 0 H GLU A 81 -7.324 1.730 4.561 1.00 0.00 H new ATOM 0 HA GLU A 81 -8.720 4.210 4.492 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -9.691 3.450 6.614 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -9.804 2.254 5.337 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -7.907 1.012 6.308 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -7.740 2.222 7.564 1.00 0.00 H new ATOM 1153 N MET A 82 -5.999 4.095 6.196 1.00 0.00 N ATOM 1154 CA MET A 82 -5.043 4.917 6.929 1.00 0.00 C ATOM 1155 C MET A 82 -4.627 6.136 6.103 1.00 0.00 C ATOM 1156 O MET A 82 -4.612 7.256 6.609 1.00 0.00 O ATOM 1157 CB MET A 82 -3.809 4.097 7.319 1.00 0.00 C ATOM 1158 CG MET A 82 -2.745 4.908 8.042 1.00 0.00 C ATOM 1159 SD MET A 82 -1.406 3.891 8.701 1.00 0.00 S ATOM 1160 CE MET A 82 -0.769 3.119 7.216 1.00 0.00 C ATOM 0 H MET A 82 -5.617 3.218 5.842 1.00 0.00 H new ATOM 0 HA MET A 82 -5.530 5.266 7.839 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.119 3.269 7.957 1.00 0.00 H new ATOM 0 HB3 MET A 82 -3.374 3.661 6.420 1.00 0.00 H new ATOM 0 HG2 MET A 82 -2.329 5.645 7.355 1.00 0.00 H new ATOM 0 HG3 MET A 82 -3.210 5.460 8.859 1.00 0.00 H new ATOM 0 HE1 MET A 82 -0.968 2.048 7.248 1.00 0.00 H new ATOM 0 HE2 MET A 82 -1.256 3.553 6.343 1.00 0.00 H new ATOM 0 HE3 MET A 82 0.306 3.286 7.152 1.00 0.00 H new ATOM 1170 N VAL A 83 -4.303 5.923 4.831 1.00 0.00 N ATOM 1171 CA VAL A 83 -3.880 7.027 3.971 1.00 0.00 C ATOM 1172 C VAL A 83 -5.083 7.809 3.461 1.00 0.00 C ATOM 1173 O VAL A 83 -4.995 9.011 3.216 1.00 0.00 O ATOM 1174 CB VAL A 83 -3.017 6.554 2.778 1.00 0.00 C ATOM 1175 CG1 VAL A 83 -1.728 5.931 3.282 1.00 0.00 C ATOM 1176 CG2 VAL A 83 -3.777 5.573 1.889 1.00 0.00 C ATOM 0 H VAL A 83 -4.324 5.010 4.376 1.00 0.00 H new ATOM 0 HA VAL A 83 -3.260 7.678 4.587 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.776 7.426 2.170 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.127 5.601 2.434 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.169 6.668 3.858 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -1.961 5.076 3.916 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.139 5.263 1.061 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.064 4.699 2.474 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -4.672 6.056 1.496 1.00 0.00 H new ATOM 1186 N MET A 84 -6.211 7.123 3.319 1.00 0.00 N ATOM 1187 CA MET A 84 -7.460 7.779 2.961 1.00 0.00 C ATOM 1188 C MET A 84 -7.860 8.705 4.101 1.00 0.00 C ATOM 1189 O MET A 84 -8.398 9.786 3.882 1.00 0.00 O ATOM 1190 CB MET A 84 -8.554 6.736 2.684 1.00 0.00 C ATOM 1191 CG MET A 84 -9.777 7.276 1.951 1.00 0.00 C ATOM 1192 SD MET A 84 -10.891 8.222 3.011 1.00 0.00 S ATOM 1193 CE MET A 84 -11.401 6.962 4.179 1.00 0.00 C ATOM 0 H MET A 84 -6.285 6.114 3.446 1.00 0.00 H new ATOM 0 HA MET A 84 -7.330 8.362 2.049 1.00 0.00 H new ATOM 0 HB2 MET A 84 -8.124 5.925 2.096 1.00 0.00 H new ATOM 0 HB3 MET A 84 -8.876 6.306 3.633 1.00 0.00 H new ATOM 0 HG2 MET A 84 -9.447 7.909 1.127 1.00 0.00 H new ATOM 0 HG3 MET A 84 -10.326 6.442 1.513 1.00 0.00 H new ATOM 0 HE1 MET A 84 -12.364 7.235 4.611 1.00 0.00 H new ATOM 0 HE2 MET A 84 -11.492 6.005 3.665 1.00 0.00 H new ATOM 0 HE3 MET A 84 -10.658 6.879 4.972 1.00 0.00 H new ATOM 1203 N ASP A 85 -7.547 8.273 5.318 1.00 0.00 N ATOM 1204 CA ASP A 85 -7.753 9.092 6.515 1.00 0.00 C ATOM 1205 C ASP A 85 -6.969 10.393 6.416 1.00 0.00 C ATOM 1206 O ASP A 85 -7.473 11.459 6.757 1.00 0.00 O ATOM 1207 CB ASP A 85 -7.326 8.316 7.765 1.00 0.00 C ATOM 1208 CG ASP A 85 -7.175 9.183 9.000 1.00 0.00 C ATOM 1209 OD1 ASP A 85 -6.059 9.687 9.247 1.00 0.00 O ATOM 1210 OD2 ASP A 85 -8.162 9.335 9.745 1.00 0.00 O ATOM 0 H ASP A 85 -7.147 7.354 5.506 1.00 0.00 H new ATOM 0 HA ASP A 85 -8.814 9.331 6.590 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -8.061 7.537 7.967 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -6.378 7.816 7.565 1.00 0.00 H new ATOM 1215 N ILE A 86 -5.737 10.294 5.933 1.00 0.00 N ATOM 1216 CA ILE A 86 -4.883 11.465 5.757 1.00 0.00 C ATOM 1217 C ILE A 86 -5.487 12.414 4.725 1.00 0.00 C ATOM 1218 O ILE A 86 -5.381 13.633 4.838 1.00 0.00 O ATOM 1219 CB ILE A 86 -3.462 11.068 5.303 1.00 0.00 C ATOM 1220 CG1 ILE A 86 -2.915 9.946 6.190 1.00 0.00 C ATOM 1221 CG2 ILE A 86 -2.536 12.276 5.351 1.00 0.00 C ATOM 1222 CD1 ILE A 86 -1.548 9.444 5.772 1.00 0.00 C ATOM 0 H ILE A 86 -5.305 9.413 5.655 1.00 0.00 H new ATOM 0 HA ILE A 86 -4.815 11.963 6.724 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.513 10.707 4.276 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -2.861 10.303 7.219 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -3.617 9.112 6.178 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -1.537 11.982 5.028 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -2.917 13.053 4.689 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -2.490 12.659 6.371 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.229 8.651 6.448 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.599 9.055 4.755 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.831 10.264 5.812 1.00 0.00 H new ATOM 1234 N LEU A 87 -6.142 11.842 3.730 1.00 0.00 N ATOM 1235 CA LEU A 87 -6.746 12.629 2.668 1.00 0.00 C ATOM 1236 C LEU A 87 -8.143 13.098 3.069 1.00 0.00 C ATOM 1237 O LEU A 87 -8.782 13.873 2.356 1.00 0.00 O ATOM 1238 CB LEU A 87 -6.810 11.811 1.381 1.00 0.00 C ATOM 1239 CG LEU A 87 -5.480 11.203 0.935 1.00 0.00 C ATOM 1240 CD1 LEU A 87 -5.662 10.411 -0.348 1.00 0.00 C ATOM 1241 CD2 LEU A 87 -4.425 12.289 0.761 1.00 0.00 C ATOM 0 H LEU A 87 -6.270 10.834 3.635 1.00 0.00 H new ATOM 0 HA LEU A 87 -6.127 13.510 2.496 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -7.533 11.007 1.515 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -7.187 12.449 0.581 1.00 0.00 H new ATOM 0 HG LEU A 87 -5.134 10.519 1.710 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.706 9.985 -0.651 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.380 9.608 -0.181 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.031 11.071 -1.133 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.486 11.836 0.443 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -4.758 13.002 0.006 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.276 12.807 1.709 1.00 0.00 H new ATOM 1253 N ARG A 88 -8.610 12.621 4.211 1.00 0.00 N ATOM 1254 CA ARG A 88 -9.891 13.035 4.759 1.00 0.00 C ATOM 1255 C ARG A 88 -9.664 14.037 5.884 1.00 0.00 C ATOM 1256 O ARG A 88 -10.596 14.663 6.392 1.00 0.00 O ATOM 1257 CB ARG A 88 -10.659 11.807 5.270 1.00 0.00 C ATOM 1258 CG ARG A 88 -11.993 12.123 5.932 1.00 0.00 C ATOM 1259 CD ARG A 88 -12.644 10.869 6.492 1.00 0.00 C ATOM 1260 NE ARG A 88 -13.806 11.171 7.327 1.00 0.00 N ATOM 1261 CZ ARG A 88 -14.357 10.304 8.177 1.00 0.00 C ATOM 1262 NH1 ARG A 88 -13.858 9.079 8.309 1.00 0.00 N ATOM 1263 NH2 ARG A 88 -15.410 10.662 8.900 1.00 0.00 N ATOM 0 H ARG A 88 -8.113 11.938 4.783 1.00 0.00 H new ATOM 0 HA ARG A 88 -10.486 13.513 3.981 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -10.835 11.131 4.433 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -10.031 11.274 5.984 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -11.841 12.845 6.734 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -12.660 12.588 5.206 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -12.949 10.223 5.669 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -11.912 10.314 7.079 1.00 0.00 H new ATOM 0 HE ARG A 88 -14.220 12.101 7.255 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -13.048 8.796 7.758 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -14.285 8.422 8.962 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -15.798 11.601 8.806 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -15.832 9.999 9.550 1.00 0.00 H new ATOM 1277 N GLU A 89 -8.407 14.205 6.240 1.00 0.00 N ATOM 1278 CA GLU A 89 -8.036 15.033 7.372 1.00 0.00 C ATOM 1279 C GLU A 89 -6.959 16.037 6.956 1.00 0.00 C ATOM 1280 O GLU A 89 -7.314 17.073 6.348 1.00 0.00 O ATOM 1281 CB GLU A 89 -7.538 14.140 8.518 1.00 0.00 C ATOM 1282 CG GLU A 89 -7.540 14.816 9.879 1.00 0.00 C ATOM 1283 CD GLU A 89 -8.916 15.302 10.285 1.00 0.00 C ATOM 1284 OE1 GLU A 89 -9.812 14.455 10.493 1.00 0.00 O ATOM 1285 OE2 GLU A 89 -9.113 16.528 10.383 1.00 0.00 O ATOM 1286 OXT GLU A 89 -5.767 15.785 7.219 1.00 0.00 O ATOM 0 H GLU A 89 -7.618 13.775 5.757 1.00 0.00 H new ATOM 0 HA GLU A 89 -8.906 15.592 7.717 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -8.163 13.248 8.567 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.525 13.808 8.291 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -7.170 14.117 10.629 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.851 15.660 9.862 1.00 0.00 H new TER 1293 GLU A 89