USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=16 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 USER MOD Set 1.2: A 78 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Set 2.1: A 12 ASN : amide:sc= 0.808 K(o=3.4,f=-1.7!) USER MOD Set 2.2: A 16 ASN : amide:sc= 0.716 K(o=3.4,f=-2.5) USER MOD Set 2.3: A 75 LYS NZ :NH3+ -154:sc= 1.88 (180deg=0.447) USER MOD Single : A 6 GLN : amide:sc= -1.31 K(o=-1.3,f=-6.5!) USER MOD Single : A 8 HIS : no HD1:sc= -0.424 X(o=-0.42,f=-0.13) USER MOD Single : A 10 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 15 GLN : amide:sc= -0.0473 K(o=-0.047,f=-0.75) USER MOD Single : A 18 THR OG1 : rot -104:sc= -3.24! USER MOD Single : A 20 GLN : amide:sc= -0.748 K(o=-0.75,f=-4.6!) USER MOD Single : A 23 MET CE :methyl -167:sc= -0.0886 (180deg=-0.506) USER MOD Single : A 28 LYS NZ :NH3+ -154:sc= 1.23 (180deg=1.12) USER MOD Single : A 35 LYS NZ :NH3+ 172:sc= -0.0177 (180deg=-0.0894) USER MOD Single : A 39 THR OG1 : rot 57:sc= -0.357 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN :FLIP amide:sc= -0.333 F(o=-1.5!,f=-0.33) USER MOD Single : A 44 GLN : amide:sc= -0.576 K(o=-0.58,f=-2.5!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl 179:sc= -4.1! (180deg=-4.2!) USER MOD Single : A 55 GLN :FLIP amide:sc= -0.0697 F(o=-2.9!,f=-0.07) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN :FLIP amide:sc= -0.0316 F(o=-0.84,f=-0.032) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0802 USER MOD Single : A 62 ASN : amide:sc= 0.172 K(o=0.17,f=-3.9!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN :FLIP amide:sc= -0.0354 F(o=-0.79,f=-0.035) USER MOD Single : A 80 CYS SG : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl 174:sc= -2.77! (180deg=-2.87!) USER MOD Single : A 84 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 5 -5.303 -11.361 10.663 1.00 0.00 N ATOM 2 CA GLY A 5 -4.776 -10.936 9.386 1.00 0.00 C ATOM 3 C GLY A 5 -4.039 -12.056 8.691 1.00 0.00 C ATOM 4 O GLY A 5 -3.037 -12.560 9.203 1.00 0.00 O ATOM 0 HA2 GLY A 5 -5.592 -10.588 8.752 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -4.103 -10.091 9.532 1.00 0.00 H new ATOM 8 N GLN A 6 -4.525 -12.447 7.525 1.00 0.00 N ATOM 9 CA GLN A 6 -3.949 -13.563 6.793 1.00 0.00 C ATOM 10 C GLN A 6 -2.939 -13.060 5.770 1.00 0.00 C ATOM 11 O GLN A 6 -2.872 -13.560 4.646 1.00 0.00 O ATOM 12 CB GLN A 6 -5.051 -14.366 6.098 1.00 0.00 C ATOM 13 CG GLN A 6 -6.178 -14.800 7.026 1.00 0.00 C ATOM 14 CD GLN A 6 -5.732 -15.765 8.108 1.00 0.00 C ATOM 15 OE1 GLN A 6 -4.593 -15.730 8.572 1.00 0.00 O ATOM 16 NE2 GLN A 6 -6.632 -16.643 8.519 1.00 0.00 N ATOM 0 H GLN A 6 -5.320 -12.006 7.063 1.00 0.00 H new ATOM 0 HA GLN A 6 -3.434 -14.214 7.500 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -5.470 -13.766 5.290 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -4.609 -15.251 5.641 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -6.613 -13.917 7.494 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -6.965 -15.268 6.435 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -7.567 -16.643 8.112 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -6.391 -17.320 9.243 1.00 0.00 H new ATOM 25 N PHE A 7 -2.125 -12.092 6.191 1.00 0.00 N ATOM 26 CA PHE A 7 -1.154 -11.433 5.315 1.00 0.00 C ATOM 27 C PHE A 7 0.048 -12.331 5.016 1.00 0.00 C ATOM 28 O PHE A 7 1.141 -11.845 4.727 1.00 0.00 O ATOM 29 CB PHE A 7 -0.688 -10.111 5.942 1.00 0.00 C ATOM 30 CG PHE A 7 -0.245 -10.221 7.378 1.00 0.00 C ATOM 31 CD1 PHE A 7 1.048 -10.611 7.697 1.00 0.00 C ATOM 32 CD2 PHE A 7 -1.123 -9.922 8.409 1.00 0.00 C ATOM 33 CE1 PHE A 7 1.453 -10.707 9.016 1.00 0.00 C ATOM 34 CE2 PHE A 7 -0.723 -10.017 9.728 1.00 0.00 C ATOM 35 CZ PHE A 7 0.566 -10.408 10.032 1.00 0.00 C ATOM 0 H PHE A 7 -2.120 -11.742 7.149 1.00 0.00 H new ATOM 0 HA PHE A 7 -1.652 -11.227 4.367 1.00 0.00 H new ATOM 0 HB2 PHE A 7 0.137 -9.714 5.350 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -1.501 -9.388 5.881 1.00 0.00 H new ATOM 0 HD1 PHE A 7 1.746 -10.842 6.906 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -2.131 -9.611 8.178 1.00 0.00 H new ATOM 0 HE1 PHE A 7 2.461 -11.015 9.251 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -1.418 -9.785 10.521 1.00 0.00 H new ATOM 0 HZ PHE A 7 0.880 -10.480 11.063 1.00 0.00 H new ATOM 45 N HIS A 8 -0.167 -13.636 5.095 1.00 0.00 N ATOM 46 CA HIS A 8 0.858 -14.617 4.782 1.00 0.00 C ATOM 47 C HIS A 8 0.238 -16.012 4.776 1.00 0.00 C ATOM 48 O HIS A 8 0.859 -16.988 5.197 1.00 0.00 O ATOM 49 CB HIS A 8 2.009 -14.547 5.793 1.00 0.00 C ATOM 50 CG HIS A 8 3.254 -15.250 5.335 1.00 0.00 C ATOM 51 ND1 HIS A 8 3.756 -16.385 5.941 1.00 0.00 N ATOM 52 CD2 HIS A 8 4.107 -14.960 4.327 1.00 0.00 C ATOM 53 CE1 HIS A 8 4.861 -16.758 5.323 1.00 0.00 C ATOM 54 NE2 HIS A 8 5.094 -15.910 4.341 1.00 0.00 N ATOM 0 H HIS A 8 -1.058 -14.043 5.378 1.00 0.00 H new ATOM 0 HA HIS A 8 1.267 -14.398 3.796 1.00 0.00 H new ATOM 0 HB2 HIS A 8 2.244 -13.501 5.991 1.00 0.00 H new ATOM 0 HB3 HIS A 8 1.681 -14.984 6.736 1.00 0.00 H new ATOM 0 HD2 HIS A 8 4.025 -14.132 3.638 1.00 0.00 H new ATOM 0 HE1 HIS A 8 5.470 -17.612 5.578 1.00 0.00 H new ATOM 0 HE2 HIS A 8 5.882 -15.954 3.695 1.00 0.00 H new ATOM 63 N ASP A 9 -1.004 -16.095 4.307 1.00 0.00 N ATOM 64 CA ASP A 9 -1.702 -17.374 4.233 1.00 0.00 C ATOM 65 C ASP A 9 -1.135 -18.211 3.095 1.00 0.00 C ATOM 66 O ASP A 9 -1.576 -18.086 1.947 1.00 0.00 O ATOM 67 CB ASP A 9 -3.207 -17.165 4.034 1.00 0.00 C ATOM 68 CG ASP A 9 -3.987 -18.468 4.098 1.00 0.00 C ATOM 69 OD1 ASP A 9 -4.210 -18.974 5.215 1.00 0.00 O ATOM 70 OD2 ASP A 9 -4.388 -18.987 3.032 1.00 0.00 O ATOM 0 H ASP A 9 -1.545 -15.297 3.974 1.00 0.00 H new ATOM 0 HA ASP A 9 -1.553 -17.902 5.175 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -3.580 -16.483 4.798 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -3.380 -16.688 3.069 1.00 0.00 H new ATOM 75 N ASN A 10 -0.139 -19.035 3.429 1.00 0.00 N ATOM 76 CA ASN A 10 0.593 -19.866 2.465 1.00 0.00 C ATOM 77 C ASN A 10 1.481 -18.998 1.571 1.00 0.00 C ATOM 78 O ASN A 10 2.700 -19.164 1.542 1.00 0.00 O ATOM 79 CB ASN A 10 -0.363 -20.715 1.614 1.00 0.00 C ATOM 80 CG ASN A 10 0.366 -21.677 0.694 1.00 0.00 C ATOM 81 OD1 ASN A 10 1.462 -22.146 1.000 1.00 0.00 O ATOM 82 ND2 ASN A 10 -0.244 -21.986 -0.438 1.00 0.00 N ATOM 0 H ASN A 10 0.187 -19.147 4.389 1.00 0.00 H new ATOM 0 HA ASN A 10 1.228 -20.548 3.031 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -1.024 -21.279 2.272 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -0.994 -20.056 1.017 1.00 0.00 H new ATOM 0 HD21 ASN A 10 0.194 -22.634 -1.093 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -1.152 -21.576 -0.656 1.00 0.00 H new ATOM 89 N ALA A 11 0.864 -18.066 0.865 1.00 0.00 N ATOM 90 CA ALA A 11 1.583 -17.147 0.001 1.00 0.00 C ATOM 91 C ALA A 11 1.809 -15.813 0.710 1.00 0.00 C ATOM 92 O ALA A 11 1.804 -15.753 1.943 1.00 0.00 O ATOM 93 CB ALA A 11 0.809 -16.942 -1.295 1.00 0.00 C ATOM 0 H ALA A 11 -0.146 -17.926 0.875 1.00 0.00 H new ATOM 0 HA ALA A 11 2.557 -17.574 -0.237 1.00 0.00 H new ATOM 0 HB1 ALA A 11 1.354 -16.251 -1.939 1.00 0.00 H new ATOM 0 HB2 ALA A 11 0.693 -17.898 -1.805 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -0.174 -16.529 -1.070 1.00 0.00 H new ATOM 99 N ASN A 12 2.013 -14.758 -0.078 1.00 0.00 N ATOM 100 CA ASN A 12 2.215 -13.403 0.439 1.00 0.00 C ATOM 101 C ASN A 12 3.556 -13.296 1.162 1.00 0.00 C ATOM 102 O ASN A 12 4.397 -14.196 1.062 1.00 0.00 O ATOM 103 CB ASN A 12 1.065 -12.984 1.366 1.00 0.00 C ATOM 104 CG ASN A 12 0.822 -11.484 1.340 1.00 0.00 C ATOM 105 OD1 ASN A 12 1.381 -10.736 2.142 1.00 0.00 O ATOM 106 ND2 ASN A 12 -0.005 -11.033 0.411 1.00 0.00 N ATOM 0 H ASN A 12 2.043 -14.818 -1.096 1.00 0.00 H new ATOM 0 HA ASN A 12 2.225 -12.720 -0.410 1.00 0.00 H new ATOM 0 HB2 ASN A 12 0.154 -13.503 1.069 1.00 0.00 H new ATOM 0 HB3 ASN A 12 1.291 -13.296 2.386 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -0.198 -10.034 0.342 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -0.449 -11.684 -0.236 1.00 0.00 H new ATOM 113 N GLY A 13 3.765 -12.200 1.880 1.00 0.00 N ATOM 114 CA GLY A 13 5.046 -11.962 2.513 1.00 0.00 C ATOM 115 C GLY A 13 6.068 -11.465 1.514 1.00 0.00 C ATOM 116 O GLY A 13 6.346 -10.267 1.445 1.00 0.00 O ATOM 0 H GLY A 13 3.069 -11.471 2.035 1.00 0.00 H new ATOM 0 HA2 GLY A 13 4.929 -11.230 3.312 1.00 0.00 H new ATOM 0 HA3 GLY A 13 5.403 -12.883 2.974 1.00 0.00 H new ATOM 120 N GLY A 14 6.614 -12.392 0.733 1.00 0.00 N ATOM 121 CA GLY A 14 7.513 -12.027 -0.341 1.00 0.00 C ATOM 122 C GLY A 14 6.745 -11.493 -1.534 1.00 0.00 C ATOM 123 O GLY A 14 6.898 -10.335 -1.919 1.00 0.00 O ATOM 0 H GLY A 14 6.447 -13.394 0.828 1.00 0.00 H new ATOM 0 HA2 GLY A 14 8.217 -11.273 0.010 1.00 0.00 H new ATOM 0 HA3 GLY A 14 8.099 -12.896 -0.641 1.00 0.00 H new ATOM 127 N GLN A 15 5.898 -12.335 -2.111 1.00 0.00 N ATOM 128 CA GLN A 15 5.030 -11.904 -3.192 1.00 0.00 C ATOM 129 C GLN A 15 3.679 -11.489 -2.624 1.00 0.00 C ATOM 130 O GLN A 15 2.875 -12.327 -2.219 1.00 0.00 O ATOM 131 CB GLN A 15 4.859 -13.021 -4.228 1.00 0.00 C ATOM 132 CG GLN A 15 3.904 -12.676 -5.363 1.00 0.00 C ATOM 133 CD GLN A 15 4.319 -11.433 -6.129 1.00 0.00 C ATOM 134 OE1 GLN A 15 5.505 -11.114 -6.229 1.00 0.00 O ATOM 135 NE2 GLN A 15 3.343 -10.721 -6.676 1.00 0.00 N ATOM 0 H GLN A 15 5.796 -13.315 -1.848 1.00 0.00 H new ATOM 0 HA GLN A 15 5.485 -11.049 -3.693 1.00 0.00 H new ATOM 0 HB2 GLN A 15 5.835 -13.263 -4.649 1.00 0.00 H new ATOM 0 HB3 GLN A 15 4.498 -13.917 -3.724 1.00 0.00 H new ATOM 0 HG2 GLN A 15 3.847 -13.519 -6.052 1.00 0.00 H new ATOM 0 HG3 GLN A 15 2.903 -12.529 -4.957 1.00 0.00 H new ATOM 0 HE21 GLN A 15 2.373 -11.019 -6.570 1.00 0.00 H new ATOM 0 HE22 GLN A 15 3.562 -9.875 -7.203 1.00 0.00 H new ATOM 144 N ASN A 16 3.439 -10.192 -2.605 1.00 0.00 N ATOM 145 CA ASN A 16 2.214 -9.645 -2.042 1.00 0.00 C ATOM 146 C ASN A 16 1.183 -9.452 -3.144 1.00 0.00 C ATOM 147 O ASN A 16 1.161 -8.423 -3.819 1.00 0.00 O ATOM 148 CB ASN A 16 2.510 -8.318 -1.329 1.00 0.00 C ATOM 149 CG ASN A 16 3.378 -8.496 -0.093 1.00 0.00 C ATOM 150 OD1 ASN A 16 2.870 -8.630 1.020 1.00 0.00 O ATOM 151 ND2 ASN A 16 4.691 -8.499 -0.278 1.00 0.00 N ATOM 0 H ASN A 16 4.080 -9.491 -2.975 1.00 0.00 H new ATOM 0 HA ASN A 16 1.809 -10.342 -1.309 1.00 0.00 H new ATOM 0 HB2 ASN A 16 3.008 -7.641 -2.023 1.00 0.00 H new ATOM 0 HB3 ASN A 16 1.570 -7.847 -1.043 1.00 0.00 H new ATOM 0 HD21 ASN A 16 5.318 -8.615 0.518 1.00 0.00 H new ATOM 0 HD22 ASN A 16 5.074 -8.385 -1.216 1.00 0.00 H new ATOM 158 N GLY A 17 0.332 -10.453 -3.328 1.00 0.00 N ATOM 159 CA GLY A 17 -0.588 -10.454 -4.450 1.00 0.00 C ATOM 160 C GLY A 17 -1.920 -9.796 -4.149 1.00 0.00 C ATOM 161 O GLY A 17 -2.976 -10.358 -4.432 1.00 0.00 O ATOM 0 H GLY A 17 0.262 -11.267 -2.718 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -0.122 -9.941 -5.291 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -0.764 -11.483 -4.763 1.00 0.00 H new ATOM 165 N THR A 18 -1.877 -8.616 -3.560 1.00 0.00 N ATOM 166 CA THR A 18 -3.073 -7.814 -3.363 1.00 0.00 C ATOM 167 C THR A 18 -2.726 -6.340 -3.488 1.00 0.00 C ATOM 168 O THR A 18 -1.813 -5.852 -2.824 1.00 0.00 O ATOM 169 CB THR A 18 -3.714 -8.096 -1.990 1.00 0.00 C ATOM 170 OG1 THR A 18 -4.080 -9.477 -1.920 1.00 0.00 O ATOM 171 CG2 THR A 18 -4.945 -7.224 -1.752 1.00 0.00 C ATOM 0 H THR A 18 -1.021 -8.188 -3.207 1.00 0.00 H new ATOM 0 HA THR A 18 -3.798 -8.083 -4.131 1.00 0.00 H new ATOM 0 HB THR A 18 -2.985 -7.857 -1.216 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.050 -9.565 -2.032 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.369 -7.452 -0.774 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.659 -6.173 -1.787 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.687 -7.424 -2.525 1.00 0.00 H new ATOM 179 N VAL A 19 -3.447 -5.642 -4.354 1.00 0.00 N ATOM 180 CA VAL A 19 -3.170 -4.241 -4.633 1.00 0.00 C ATOM 181 C VAL A 19 -4.461 -3.446 -4.736 1.00 0.00 C ATOM 182 O VAL A 19 -5.358 -3.802 -5.503 1.00 0.00 O ATOM 183 CB VAL A 19 -2.383 -4.069 -5.955 1.00 0.00 C ATOM 184 CG1 VAL A 19 -2.167 -2.597 -6.269 1.00 0.00 C ATOM 185 CG2 VAL A 19 -1.052 -4.801 -5.899 1.00 0.00 C ATOM 0 H VAL A 19 -4.233 -6.027 -4.878 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.567 -3.868 -3.805 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.979 -4.508 -6.755 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.612 -2.502 -7.202 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.132 -2.101 -6.369 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.602 -2.132 -5.461 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.521 -4.663 -6.841 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.451 -4.402 -5.082 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.228 -5.864 -5.734 1.00 0.00 H new ATOM 195 N GLN A 20 -4.561 -2.382 -3.958 1.00 0.00 N ATOM 196 CA GLN A 20 -5.680 -1.466 -4.080 1.00 0.00 C ATOM 197 C GLN A 20 -5.198 -0.116 -4.581 1.00 0.00 C ATOM 198 O GLN A 20 -4.399 0.549 -3.925 1.00 0.00 O ATOM 199 CB GLN A 20 -6.426 -1.315 -2.755 1.00 0.00 C ATOM 200 CG GLN A 20 -7.253 -2.536 -2.396 1.00 0.00 C ATOM 201 CD GLN A 20 -8.147 -2.304 -1.197 1.00 0.00 C ATOM 202 OE1 GLN A 20 -7.770 -2.575 -0.058 1.00 0.00 O ATOM 203 NE2 GLN A 20 -9.340 -1.798 -1.446 1.00 0.00 N ATOM 0 H GLN A 20 -3.883 -2.132 -3.238 1.00 0.00 H new ATOM 0 HA GLN A 20 -6.380 -1.882 -4.805 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -5.706 -1.124 -1.959 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -7.079 -0.444 -2.810 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -7.866 -2.819 -3.252 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -6.586 -3.374 -2.190 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -9.614 -1.587 -2.405 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -9.988 -1.618 -0.679 1.00 0.00 H new ATOM 212 N GLU A 21 -5.658 0.259 -5.766 1.00 0.00 N ATOM 213 CA GLU A 21 -5.285 1.535 -6.357 1.00 0.00 C ATOM 214 C GLU A 21 -6.209 2.645 -5.891 1.00 0.00 C ATOM 215 O GLU A 21 -7.407 2.647 -6.187 1.00 0.00 O ATOM 216 CB GLU A 21 -5.281 1.454 -7.884 1.00 0.00 C ATOM 217 CG GLU A 21 -4.128 0.633 -8.422 1.00 0.00 C ATOM 218 CD GLU A 21 -4.037 0.632 -9.933 1.00 0.00 C ATOM 219 OE1 GLU A 21 -5.051 0.342 -10.599 1.00 0.00 O ATOM 220 OE2 GLU A 21 -2.941 0.904 -10.465 1.00 0.00 O ATOM 0 H GLU A 21 -6.290 -0.302 -6.337 1.00 0.00 H new ATOM 0 HA GLU A 21 -4.274 1.768 -6.023 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.221 1.019 -8.223 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.229 2.461 -8.297 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.195 1.019 -8.011 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.230 -0.394 -8.072 1.00 0.00 H new ATOM 227 N ILE A 22 -5.647 3.576 -5.141 1.00 0.00 N ATOM 228 CA ILE A 22 -6.388 4.739 -4.683 1.00 0.00 C ATOM 229 C ILE A 22 -6.098 5.906 -5.610 1.00 0.00 C ATOM 230 O ILE A 22 -5.027 5.962 -6.210 1.00 0.00 O ATOM 231 CB ILE A 22 -6.001 5.142 -3.238 1.00 0.00 C ATOM 232 CG1 ILE A 22 -5.931 3.909 -2.331 1.00 0.00 C ATOM 233 CG2 ILE A 22 -6.998 6.152 -2.671 1.00 0.00 C ATOM 234 CD1 ILE A 22 -7.237 3.148 -2.223 1.00 0.00 C ATOM 0 H ILE A 22 -4.675 3.549 -4.834 1.00 0.00 H new ATOM 0 HA ILE A 22 -7.448 4.484 -4.691 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.016 5.607 -3.273 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.161 3.236 -2.708 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.621 4.221 -1.334 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.706 6.420 -1.656 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -7.005 7.046 -3.295 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.995 5.711 -2.658 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.105 2.290 -1.564 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -8.007 3.803 -1.816 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.540 2.803 -3.212 1.00 0.00 H new ATOM 246 N MET A 23 -7.048 6.818 -5.736 1.00 0.00 N ATOM 247 CA MET A 23 -6.859 8.013 -6.536 1.00 0.00 C ATOM 248 C MET A 23 -6.643 9.194 -5.606 1.00 0.00 C ATOM 249 O MET A 23 -7.594 9.740 -5.047 1.00 0.00 O ATOM 250 CB MET A 23 -8.075 8.262 -7.428 1.00 0.00 C ATOM 251 CG MET A 23 -8.485 7.062 -8.267 1.00 0.00 C ATOM 252 SD MET A 23 -7.142 6.406 -9.282 1.00 0.00 S ATOM 253 CE MET A 23 -6.659 7.858 -10.213 1.00 0.00 C ATOM 0 H MET A 23 -7.963 6.751 -5.291 1.00 0.00 H new ATOM 0 HA MET A 23 -5.989 7.884 -7.180 1.00 0.00 H new ATOM 0 HB2 MET A 23 -8.917 8.559 -6.802 1.00 0.00 H new ATOM 0 HB3 MET A 23 -7.860 9.100 -8.092 1.00 0.00 H new ATOM 0 HG2 MET A 23 -8.851 6.275 -7.608 1.00 0.00 H new ATOM 0 HG3 MET A 23 -9.315 7.347 -8.914 1.00 0.00 H new ATOM 0 HE1 MET A 23 -6.008 7.563 -11.036 1.00 0.00 H new ATOM 0 HE2 MET A 23 -7.548 8.347 -10.611 1.00 0.00 H new ATOM 0 HE3 MET A 23 -6.127 8.549 -9.559 1.00 0.00 H new ATOM 263 N ILE A 24 -5.390 9.566 -5.419 1.00 0.00 N ATOM 264 CA ILE A 24 -5.038 10.576 -4.433 1.00 0.00 C ATOM 265 C ILE A 24 -5.215 11.984 -4.989 1.00 0.00 C ATOM 266 O ILE A 24 -4.639 12.322 -6.016 1.00 0.00 O ATOM 267 CB ILE A 24 -3.577 10.415 -3.966 1.00 0.00 C ATOM 268 CG1 ILE A 24 -3.265 8.951 -3.632 1.00 0.00 C ATOM 269 CG2 ILE A 24 -3.314 11.309 -2.766 1.00 0.00 C ATOM 270 CD1 ILE A 24 -4.184 8.341 -2.595 1.00 0.00 C ATOM 0 H ILE A 24 -4.598 9.185 -5.936 1.00 0.00 H new ATOM 0 HA ILE A 24 -5.711 10.433 -3.588 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.918 10.717 -4.780 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.325 8.361 -4.546 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.237 8.883 -3.275 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.280 11.189 -2.443 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.490 12.349 -3.041 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.983 11.031 -1.952 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.895 7.305 -2.417 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.107 8.904 -1.665 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.212 8.374 -2.956 1.00 0.00 H new ATOM 282 N PRO A 25 -6.019 12.820 -4.315 1.00 0.00 N ATOM 283 CA PRO A 25 -6.210 14.218 -4.703 1.00 0.00 C ATOM 284 C PRO A 25 -4.878 14.944 -4.849 1.00 0.00 C ATOM 285 O PRO A 25 -4.027 14.877 -3.964 1.00 0.00 O ATOM 286 CB PRO A 25 -7.010 14.804 -3.542 1.00 0.00 C ATOM 287 CG PRO A 25 -7.727 13.640 -2.956 1.00 0.00 C ATOM 288 CD PRO A 25 -6.812 12.464 -3.129 1.00 0.00 C ATOM 0 HA PRO A 25 -6.708 14.317 -5.667 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -6.357 15.277 -2.809 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.708 15.567 -3.887 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -7.951 13.809 -1.903 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -8.678 13.472 -3.461 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -6.180 12.314 -2.253 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -7.370 11.540 -3.281 1.00 0.00 H new ATOM 296 N ALA A 26 -4.716 15.631 -5.978 1.00 0.00 N ATOM 297 CA ALA A 26 -3.452 16.267 -6.342 1.00 0.00 C ATOM 298 C ALA A 26 -2.974 17.259 -5.286 1.00 0.00 C ATOM 299 O ALA A 26 -1.776 17.365 -5.031 1.00 0.00 O ATOM 300 CB ALA A 26 -3.585 16.961 -7.690 1.00 0.00 C ATOM 0 H ALA A 26 -5.457 15.762 -6.666 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.701 15.479 -6.407 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.637 17.432 -7.952 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.849 16.228 -8.452 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.364 17.721 -7.633 1.00 0.00 H new ATOM 306 N GLY A 27 -3.904 17.982 -4.677 1.00 0.00 N ATOM 307 CA GLY A 27 -3.538 18.942 -3.653 1.00 0.00 C ATOM 308 C GLY A 27 -3.302 18.286 -2.307 1.00 0.00 C ATOM 309 O GLY A 27 -2.443 18.719 -1.533 1.00 0.00 O ATOM 0 H GLY A 27 -4.903 17.922 -4.873 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.636 19.471 -3.960 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.328 19.687 -3.558 1.00 0.00 H new ATOM 313 N LYS A 28 -4.046 17.219 -2.044 1.00 0.00 N ATOM 314 CA LYS A 28 -3.971 16.513 -0.772 1.00 0.00 C ATOM 315 C LYS A 28 -2.810 15.520 -0.793 1.00 0.00 C ATOM 316 O LYS A 28 -2.461 14.925 0.229 1.00 0.00 O ATOM 317 CB LYS A 28 -5.296 15.785 -0.522 1.00 0.00 C ATOM 318 CG LYS A 28 -5.500 15.312 0.906 1.00 0.00 C ATOM 319 CD LYS A 28 -5.666 16.473 1.860 1.00 0.00 C ATOM 320 CE LYS A 28 -6.017 15.999 3.260 1.00 0.00 C ATOM 321 NZ LYS A 28 -6.095 17.124 4.230 1.00 0.00 N ATOM 0 H LYS A 28 -4.715 16.821 -2.703 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.797 17.226 0.034 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.117 16.450 -0.791 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.353 14.924 -1.187 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.381 14.672 0.955 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.648 14.706 1.214 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.744 17.053 1.892 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.448 17.137 1.493 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.973 15.475 3.236 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -5.269 15.282 3.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.896 16.771 5.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -5.395 17.850 3.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -7.048 17.539 4.205 1.00 0.00 H new ATOM 335 N ALA A 29 -2.203 15.372 -1.966 1.00 0.00 N ATOM 336 CA ALA A 29 -1.108 14.431 -2.176 1.00 0.00 C ATOM 337 C ALA A 29 0.100 14.767 -1.311 1.00 0.00 C ATOM 338 O ALA A 29 0.959 13.917 -1.082 1.00 0.00 O ATOM 339 CB ALA A 29 -0.714 14.405 -3.644 1.00 0.00 C ATOM 0 H ALA A 29 -2.457 15.902 -2.800 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.459 13.443 -1.880 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.104 13.699 -3.789 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.570 14.097 -4.245 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -0.394 15.400 -3.952 1.00 0.00 H new ATOM 345 N GLY A 30 0.162 16.002 -0.832 1.00 0.00 N ATOM 346 CA GLY A 30 1.237 16.395 0.058 1.00 0.00 C ATOM 347 C GLY A 30 1.279 15.538 1.306 1.00 0.00 C ATOM 348 O GLY A 30 2.348 15.187 1.794 1.00 0.00 O ATOM 0 H GLY A 30 -0.512 16.738 -1.043 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.189 16.319 -0.467 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.111 17.440 0.340 1.00 0.00 H new ATOM 352 N LEU A 31 0.107 15.173 1.802 1.00 0.00 N ATOM 353 CA LEU A 31 0.008 14.377 3.017 1.00 0.00 C ATOM 354 C LEU A 31 0.183 12.888 2.731 1.00 0.00 C ATOM 355 O LEU A 31 0.651 12.141 3.587 1.00 0.00 O ATOM 356 CB LEU A 31 -1.332 14.638 3.707 1.00 0.00 C ATOM 357 CG LEU A 31 -1.448 16.007 4.380 1.00 0.00 C ATOM 358 CD1 LEU A 31 -2.839 16.200 4.956 1.00 0.00 C ATOM 359 CD2 LEU A 31 -0.401 16.151 5.474 1.00 0.00 C ATOM 0 H LEU A 31 -0.790 15.415 1.382 1.00 0.00 H new ATOM 0 HA LEU A 31 0.817 14.678 3.683 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.130 14.542 2.970 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.496 13.864 4.457 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.274 16.776 3.627 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.904 17.179 5.431 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.576 16.135 4.156 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.037 15.424 5.696 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.497 17.130 5.943 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.549 15.374 6.224 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.594 16.052 5.040 1.00 0.00 H new ATOM 371 N VAL A 32 -0.192 12.462 1.527 1.00 0.00 N ATOM 372 CA VAL A 32 -0.040 11.074 1.132 1.00 0.00 C ATOM 373 C VAL A 32 1.438 10.732 0.963 1.00 0.00 C ATOM 374 O VAL A 32 1.852 9.589 1.140 1.00 0.00 O ATOM 375 CB VAL A 32 -0.814 10.786 -0.175 1.00 0.00 C ATOM 376 CG1 VAL A 32 0.050 10.975 -1.411 1.00 0.00 C ATOM 377 CG2 VAL A 32 -1.420 9.401 -0.140 1.00 0.00 C ATOM 0 H VAL A 32 -0.603 13.062 0.812 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.457 10.446 1.919 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.620 11.516 -0.242 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -0.539 10.761 -2.303 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.408 12.004 -1.451 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.902 10.296 -1.367 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.961 9.217 -1.068 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.628 8.660 -0.028 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.109 9.326 0.702 1.00 0.00 H new ATOM 387 N ILE A 33 2.226 11.742 0.614 1.00 0.00 N ATOM 388 CA ILE A 33 3.667 11.591 0.524 1.00 0.00 C ATOM 389 C ILE A 33 4.288 11.824 1.894 1.00 0.00 C ATOM 390 O ILE A 33 5.111 11.037 2.367 1.00 0.00 O ATOM 391 CB ILE A 33 4.274 12.571 -0.501 1.00 0.00 C ATOM 392 CG1 ILE A 33 3.617 12.382 -1.871 1.00 0.00 C ATOM 393 CG2 ILE A 33 5.781 12.376 -0.601 1.00 0.00 C ATOM 394 CD1 ILE A 33 3.999 13.443 -2.877 1.00 0.00 C ATOM 0 H ILE A 33 1.886 12.677 0.388 1.00 0.00 H new ATOM 0 HA ILE A 33 3.884 10.578 0.186 1.00 0.00 H new ATOM 0 HB ILE A 33 4.082 13.589 -0.161 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.893 11.404 -2.265 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.534 12.383 -1.748 1.00 0.00 H new ATOM 0 HG21 ILE A 33 6.191 13.076 -1.329 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.237 12.556 0.373 1.00 0.00 H new ATOM 0 HG23 ILE A 33 5.996 11.356 -0.918 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.496 13.245 -3.824 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.698 14.422 -2.505 1.00 0.00 H new ATOM 0 HD13 ILE A 33 5.078 13.428 -3.029 1.00 0.00 H new ATOM 406 N GLY A 34 3.883 12.907 2.536 1.00 0.00 N ATOM 407 CA GLY A 34 4.310 13.151 3.888 1.00 0.00 C ATOM 408 C GLY A 34 4.730 14.579 4.124 1.00 0.00 C ATOM 409 O GLY A 34 4.879 15.356 3.185 1.00 0.00 O ATOM 0 H GLY A 34 3.267 13.618 2.142 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.498 12.899 4.571 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.143 12.489 4.125 1.00 0.00 H new ATOM 413 N LYS A 35 4.947 14.910 5.388 1.00 0.00 N ATOM 414 CA LYS A 35 5.369 16.249 5.775 1.00 0.00 C ATOM 415 C LYS A 35 6.787 16.507 5.278 1.00 0.00 C ATOM 416 O LYS A 35 7.181 17.648 5.042 1.00 0.00 O ATOM 417 CB LYS A 35 5.300 16.407 7.300 1.00 0.00 C ATOM 418 CG LYS A 35 3.911 16.734 7.851 1.00 0.00 C ATOM 419 CD LYS A 35 2.861 15.688 7.488 1.00 0.00 C ATOM 420 CE LYS A 35 3.186 14.312 8.060 1.00 0.00 C ATOM 421 NZ LYS A 35 3.267 14.310 9.545 1.00 0.00 N ATOM 0 H LYS A 35 4.837 14.264 6.170 1.00 0.00 H new ATOM 0 HA LYS A 35 4.698 16.979 5.322 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.651 15.484 7.763 1.00 0.00 H new ATOM 0 HB3 LYS A 35 5.989 17.196 7.601 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.968 16.821 8.936 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.595 17.705 7.470 1.00 0.00 H new ATOM 0 HD2 LYS A 35 1.888 16.011 7.858 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.783 15.618 6.403 1.00 0.00 H new ATOM 0 HE2 LYS A 35 2.423 13.602 7.741 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.135 13.967 7.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 3.355 13.332 9.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 4.097 14.858 9.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 2.406 14.739 9.940 1.00 0.00 H new ATOM 435 N GLY A 36 7.546 15.433 5.135 1.00 0.00 N ATOM 436 CA GLY A 36 8.871 15.521 4.560 1.00 0.00 C ATOM 437 C GLY A 36 9.164 14.327 3.678 1.00 0.00 C ATOM 438 O GLY A 36 10.321 13.950 3.489 1.00 0.00 O ATOM 0 H GLY A 36 7.264 14.492 5.410 1.00 0.00 H new ATOM 0 HA2 GLY A 36 8.957 16.438 3.976 1.00 0.00 H new ATOM 0 HA3 GLY A 36 9.613 15.579 5.356 1.00 0.00 H new ATOM 442 N GLY A 37 8.105 13.725 3.147 1.00 0.00 N ATOM 443 CA GLY A 37 8.251 12.524 2.343 1.00 0.00 C ATOM 444 C GLY A 37 8.489 11.288 3.193 1.00 0.00 C ATOM 445 O GLY A 37 8.696 10.194 2.671 1.00 0.00 O ATOM 0 H GLY A 37 7.144 14.048 3.259 1.00 0.00 H new ATOM 0 HA2 GLY A 37 7.354 12.381 1.741 1.00 0.00 H new ATOM 0 HA3 GLY A 37 9.083 12.652 1.650 1.00 0.00 H new ATOM 449 N GLU A 38 8.469 11.473 4.503 1.00 0.00 N ATOM 450 CA GLU A 38 8.724 10.391 5.440 1.00 0.00 C ATOM 451 C GLU A 38 7.459 9.599 5.746 1.00 0.00 C ATOM 452 O GLU A 38 7.525 8.407 6.043 1.00 0.00 O ATOM 453 CB GLU A 38 9.355 10.932 6.733 1.00 0.00 C ATOM 454 CG GLU A 38 9.019 12.387 7.061 1.00 0.00 C ATOM 455 CD GLU A 38 7.541 12.642 7.272 1.00 0.00 C ATOM 456 OE1 GLU A 38 7.067 12.515 8.421 1.00 0.00 O ATOM 457 OE2 GLU A 38 6.851 12.977 6.287 1.00 0.00 O ATOM 0 H GLU A 38 8.277 12.372 4.945 1.00 0.00 H new ATOM 0 HA GLU A 38 9.430 9.707 4.968 1.00 0.00 H new ATOM 0 HB2 GLU A 38 9.034 10.305 7.565 1.00 0.00 H new ATOM 0 HB3 GLU A 38 10.438 10.834 6.659 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.561 12.681 7.960 1.00 0.00 H new ATOM 0 HG3 GLU A 38 9.376 13.024 6.251 1.00 0.00 H new ATOM 464 N THR A 39 6.313 10.260 5.662 1.00 0.00 N ATOM 465 CA THR A 39 5.043 9.641 6.014 1.00 0.00 C ATOM 466 C THR A 39 4.764 8.395 5.170 1.00 0.00 C ATOM 467 O THR A 39 4.422 7.348 5.711 1.00 0.00 O ATOM 468 CB THR A 39 3.885 10.646 5.872 1.00 0.00 C ATOM 469 OG1 THR A 39 4.196 11.837 6.611 1.00 0.00 O ATOM 470 CG2 THR A 39 2.578 10.059 6.384 1.00 0.00 C ATOM 0 H THR A 39 6.237 11.229 5.352 1.00 0.00 H new ATOM 0 HA THR A 39 5.116 9.331 7.056 1.00 0.00 H new ATOM 0 HB THR A 39 3.762 10.880 4.815 1.00 0.00 H new ATOM 0 HG1 THR A 39 5.049 12.203 6.298 1.00 0.00 H new ATOM 0 HG21 THR A 39 1.780 10.793 6.270 1.00 0.00 H new ATOM 0 HG22 THR A 39 2.332 9.164 5.812 1.00 0.00 H new ATOM 0 HG23 THR A 39 2.684 9.799 7.437 1.00 0.00 H new ATOM 478 N ILE A 40 4.946 8.503 3.854 1.00 0.00 N ATOM 479 CA ILE A 40 4.722 7.372 2.951 1.00 0.00 C ATOM 480 C ILE A 40 5.610 6.180 3.323 1.00 0.00 C ATOM 481 O ILE A 40 5.216 5.022 3.173 1.00 0.00 O ATOM 482 CB ILE A 40 4.970 7.776 1.476 1.00 0.00 C ATOM 483 CG1 ILE A 40 4.764 6.582 0.536 1.00 0.00 C ATOM 484 CG2 ILE A 40 6.365 8.363 1.302 1.00 0.00 C ATOM 485 CD1 ILE A 40 5.077 6.888 -0.916 1.00 0.00 C ATOM 0 H ILE A 40 5.247 9.360 3.389 1.00 0.00 H new ATOM 0 HA ILE A 40 3.679 7.074 3.059 1.00 0.00 H new ATOM 0 HB ILE A 40 4.242 8.543 1.212 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.394 5.757 0.868 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.730 6.245 0.612 1.00 0.00 H new ATOM 0 HG21 ILE A 40 6.516 8.639 0.258 1.00 0.00 H new ATOM 0 HG22 ILE A 40 6.468 9.248 1.930 1.00 0.00 H new ATOM 0 HG23 ILE A 40 7.110 7.623 1.593 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.908 5.997 -1.520 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.429 7.692 -1.266 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.119 7.196 -1.007 1.00 0.00 H new ATOM 497 N LYS A 41 6.804 6.468 3.826 1.00 0.00 N ATOM 498 CA LYS A 41 7.720 5.425 4.260 1.00 0.00 C ATOM 499 C LYS A 41 7.208 4.788 5.549 1.00 0.00 C ATOM 500 O LYS A 41 7.303 3.577 5.742 1.00 0.00 O ATOM 501 CB LYS A 41 9.118 6.013 4.471 1.00 0.00 C ATOM 502 CG LYS A 41 10.162 4.987 4.883 1.00 0.00 C ATOM 503 CD LYS A 41 11.492 5.647 5.203 1.00 0.00 C ATOM 504 CE LYS A 41 12.516 4.632 5.683 1.00 0.00 C ATOM 505 NZ LYS A 41 13.782 5.285 6.107 1.00 0.00 N ATOM 0 H LYS A 41 7.159 7.417 3.943 1.00 0.00 H new ATOM 0 HA LYS A 41 7.779 4.655 3.490 1.00 0.00 H new ATOM 0 HB2 LYS A 41 9.441 6.496 3.549 1.00 0.00 H new ATOM 0 HB3 LYS A 41 9.064 6.789 5.235 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.809 4.436 5.755 1.00 0.00 H new ATOM 0 HG3 LYS A 41 10.298 4.262 4.081 1.00 0.00 H new ATOM 0 HD2 LYS A 41 11.870 6.155 4.316 1.00 0.00 H new ATOM 0 HD3 LYS A 41 11.346 6.409 5.969 1.00 0.00 H new ATOM 0 HE2 LYS A 41 12.102 4.065 6.517 1.00 0.00 H new ATOM 0 HE3 LYS A 41 12.724 3.920 4.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 14.456 4.561 6.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 14.190 5.806 5.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 13.588 5.946 6.886 1.00 0.00 H new ATOM 519 N GLN A 42 6.635 5.619 6.407 1.00 0.00 N ATOM 520 CA GLN A 42 6.094 5.173 7.683 1.00 0.00 C ATOM 521 C GLN A 42 4.878 4.284 7.463 1.00 0.00 C ATOM 522 O GLN A 42 4.725 3.254 8.116 1.00 0.00 O ATOM 523 CB GLN A 42 5.709 6.385 8.534 1.00 0.00 C ATOM 524 CG GLN A 42 6.893 7.243 8.947 1.00 0.00 C ATOM 525 CD GLN A 42 6.482 8.623 9.422 1.00 0.00 C ATOM 526 OE1 GLN A 42 7.363 9.593 9.243 1.00 0.00 O flip ATOM 527 NE2 GLN A 42 5.388 8.817 9.951 1.00 0.00 N flip ATOM 0 H GLN A 42 6.532 6.620 6.239 1.00 0.00 H new ATOM 0 HA GLN A 42 6.857 4.595 8.205 1.00 0.00 H new ATOM 0 HB2 GLN A 42 5.003 7.000 7.976 1.00 0.00 H new ATOM 0 HB3 GLN A 42 5.192 6.040 9.429 1.00 0.00 H new ATOM 0 HG2 GLN A 42 7.441 6.738 9.742 1.00 0.00 H new ATOM 0 HG3 GLN A 42 7.575 7.343 8.103 1.00 0.00 H new ATOM 0 HE21 GLN A 42 4.735 8.043 10.071 1.00 0.00 H new ATOM 0 HE22 GLN A 42 5.134 9.752 10.269 1.00 0.00 H new ATOM 536 N LEU A 43 4.030 4.692 6.522 1.00 0.00 N ATOM 537 CA LEU A 43 2.806 3.963 6.189 1.00 0.00 C ATOM 538 C LEU A 43 3.105 2.510 5.847 1.00 0.00 C ATOM 539 O LEU A 43 2.387 1.595 6.256 1.00 0.00 O ATOM 540 CB LEU A 43 2.104 4.644 5.011 1.00 0.00 C ATOM 541 CG LEU A 43 1.810 6.130 5.215 1.00 0.00 C ATOM 542 CD1 LEU A 43 1.253 6.748 3.943 1.00 0.00 C ATOM 543 CD2 LEU A 43 0.844 6.328 6.372 1.00 0.00 C ATOM 0 H LEU A 43 4.171 5.537 5.968 1.00 0.00 H new ATOM 0 HA LEU A 43 2.152 3.976 7.061 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.723 4.529 4.121 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.165 4.125 4.816 1.00 0.00 H new ATOM 0 HG LEU A 43 2.746 6.633 5.457 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.051 7.806 4.111 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.980 6.641 3.138 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.328 6.241 3.667 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.646 7.392 6.503 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.090 5.809 6.159 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.283 5.926 7.285 1.00 0.00 H new ATOM 555 N GLN A 44 4.183 2.309 5.107 1.00 0.00 N ATOM 556 CA GLN A 44 4.605 0.978 4.705 1.00 0.00 C ATOM 557 C GLN A 44 5.036 0.156 5.918 1.00 0.00 C ATOM 558 O GLN A 44 4.729 -1.032 6.015 1.00 0.00 O ATOM 559 CB GLN A 44 5.738 1.094 3.688 1.00 0.00 C ATOM 560 CG GLN A 44 5.293 1.753 2.392 1.00 0.00 C ATOM 561 CD GLN A 44 6.437 2.058 1.449 1.00 0.00 C ATOM 562 OE1 GLN A 44 6.817 1.228 0.626 1.00 0.00 O ATOM 563 NE2 GLN A 44 6.969 3.264 1.544 1.00 0.00 N ATOM 0 H GLN A 44 4.787 3.059 4.770 1.00 0.00 H new ATOM 0 HA GLN A 44 3.766 0.459 4.242 1.00 0.00 H new ATOM 0 HB2 GLN A 44 6.555 1.670 4.123 1.00 0.00 H new ATOM 0 HB3 GLN A 44 6.130 0.100 3.471 1.00 0.00 H new ATOM 0 HG2 GLN A 44 4.580 1.101 1.888 1.00 0.00 H new ATOM 0 HG3 GLN A 44 4.768 2.679 2.626 1.00 0.00 H new ATOM 0 HE21 GLN A 44 6.622 3.921 2.243 1.00 0.00 H new ATOM 0 HE22 GLN A 44 7.727 3.538 0.919 1.00 0.00 H new ATOM 572 N GLU A 45 5.723 0.804 6.846 1.00 0.00 N ATOM 573 CA GLU A 45 6.159 0.160 8.080 1.00 0.00 C ATOM 574 C GLU A 45 4.977 -0.188 8.980 1.00 0.00 C ATOM 575 O GLU A 45 4.958 -1.246 9.610 1.00 0.00 O ATOM 576 CB GLU A 45 7.115 1.077 8.838 1.00 0.00 C ATOM 577 CG GLU A 45 8.554 1.009 8.353 1.00 0.00 C ATOM 578 CD GLU A 45 9.268 -0.241 8.829 1.00 0.00 C ATOM 579 OE1 GLU A 45 9.796 -0.229 9.962 1.00 0.00 O ATOM 580 OE2 GLU A 45 9.305 -1.242 8.081 1.00 0.00 O ATOM 0 H GLU A 45 5.994 1.784 6.768 1.00 0.00 H new ATOM 0 HA GLU A 45 6.667 -0.765 7.807 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.762 2.104 8.751 1.00 0.00 H new ATOM 0 HB3 GLU A 45 7.087 0.819 9.897 1.00 0.00 H new ATOM 0 HG2 GLU A 45 8.569 1.040 7.264 1.00 0.00 H new ATOM 0 HG3 GLU A 45 9.094 1.888 8.704 1.00 0.00 H new ATOM 587 N ARG A 46 3.993 0.704 9.033 1.00 0.00 N ATOM 588 CA ARG A 46 2.861 0.545 9.941 1.00 0.00 C ATOM 589 C ARG A 46 2.050 -0.703 9.618 1.00 0.00 C ATOM 590 O ARG A 46 1.689 -1.468 10.513 1.00 0.00 O ATOM 591 CB ARG A 46 1.932 1.767 9.880 1.00 0.00 C ATOM 592 CG ARG A 46 2.597 3.114 10.152 1.00 0.00 C ATOM 593 CD ARG A 46 3.048 3.280 11.604 1.00 0.00 C ATOM 594 NE ARG A 46 3.951 2.218 12.063 1.00 0.00 N ATOM 595 CZ ARG A 46 4.967 2.413 12.904 1.00 0.00 C ATOM 596 NH1 ARG A 46 5.262 3.635 13.329 1.00 0.00 N ATOM 597 NH2 ARG A 46 5.686 1.379 13.320 1.00 0.00 N ATOM 0 H ARG A 46 3.956 1.545 8.458 1.00 0.00 H new ATOM 0 HA ARG A 46 3.276 0.448 10.944 1.00 0.00 H new ATOM 0 HB2 ARG A 46 1.471 1.802 8.893 1.00 0.00 H new ATOM 0 HB3 ARG A 46 1.128 1.626 10.602 1.00 0.00 H new ATOM 0 HG2 ARG A 46 3.460 3.225 9.495 1.00 0.00 H new ATOM 0 HG3 ARG A 46 1.900 3.914 9.901 1.00 0.00 H new ATOM 0 HD2 ARG A 46 3.548 4.243 11.713 1.00 0.00 H new ATOM 0 HD3 ARG A 46 2.169 3.302 12.249 1.00 0.00 H new ATOM 0 HE ARG A 46 3.791 1.272 11.717 1.00 0.00 H new ATOM 0 HH11 ARG A 46 4.710 4.432 13.012 1.00 0.00 H new ATOM 0 HH12 ARG A 46 6.041 3.777 13.972 1.00 0.00 H new ATOM 0 HH21 ARG A 46 5.461 0.438 12.996 1.00 0.00 H new ATOM 0 HH22 ARG A 46 6.464 1.525 13.963 1.00 0.00 H new ATOM 611 N ALA A 47 1.781 -0.915 8.340 1.00 0.00 N ATOM 612 CA ALA A 47 0.870 -1.973 7.929 1.00 0.00 C ATOM 613 C ALA A 47 1.596 -3.166 7.314 1.00 0.00 C ATOM 614 O ALA A 47 0.965 -4.151 6.932 1.00 0.00 O ATOM 615 CB ALA A 47 -0.153 -1.419 6.953 1.00 0.00 C ATOM 0 H ALA A 47 2.177 -0.373 7.573 1.00 0.00 H new ATOM 0 HA ALA A 47 0.367 -2.337 8.825 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.833 -2.214 6.648 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.720 -0.622 7.434 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.358 -1.023 6.076 1.00 0.00 H new ATOM 621 N GLY A 48 2.920 -3.078 7.228 1.00 0.00 N ATOM 622 CA GLY A 48 3.695 -4.141 6.605 1.00 0.00 C ATOM 623 C GLY A 48 3.380 -4.271 5.128 1.00 0.00 C ATOM 624 O GLY A 48 3.273 -5.377 4.590 1.00 0.00 O ATOM 0 H GLY A 48 3.470 -2.293 7.577 1.00 0.00 H new ATOM 0 HA2 GLY A 48 4.758 -3.940 6.734 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.486 -5.086 7.106 1.00 0.00 H new ATOM 628 N VAL A 49 3.232 -3.130 4.476 1.00 0.00 N ATOM 629 CA VAL A 49 2.837 -3.078 3.077 1.00 0.00 C ATOM 630 C VAL A 49 3.830 -2.251 2.276 1.00 0.00 C ATOM 631 O VAL A 49 4.806 -1.740 2.820 1.00 0.00 O ATOM 632 CB VAL A 49 1.432 -2.456 2.907 1.00 0.00 C ATOM 633 CG1 VAL A 49 0.362 -3.351 3.511 1.00 0.00 C ATOM 634 CG2 VAL A 49 1.375 -1.064 3.526 1.00 0.00 C ATOM 0 H VAL A 49 3.382 -2.215 4.900 1.00 0.00 H new ATOM 0 HA VAL A 49 2.819 -4.104 2.711 1.00 0.00 H new ATOM 0 HB VAL A 49 1.236 -2.365 1.839 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.616 -2.889 3.377 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.376 -4.321 3.014 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.558 -3.485 4.575 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.376 -0.647 3.393 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.603 -1.129 4.590 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.105 -0.419 3.038 1.00 0.00 H new ATOM 644 N LYS A 50 3.584 -2.141 0.984 1.00 0.00 N ATOM 645 CA LYS A 50 4.360 -1.257 0.136 1.00 0.00 C ATOM 646 C LYS A 50 3.426 -0.318 -0.610 1.00 0.00 C ATOM 647 O LYS A 50 2.480 -0.765 -1.256 1.00 0.00 O ATOM 648 CB LYS A 50 5.206 -2.047 -0.865 1.00 0.00 C ATOM 649 CG LYS A 50 6.035 -1.153 -1.772 1.00 0.00 C ATOM 650 CD LYS A 50 6.822 -1.948 -2.796 1.00 0.00 C ATOM 651 CE LYS A 50 7.629 -1.027 -3.697 1.00 0.00 C ATOM 652 NZ LYS A 50 8.405 -1.777 -4.715 1.00 0.00 N ATOM 0 H LYS A 50 2.850 -2.655 0.498 1.00 0.00 H new ATOM 0 HA LYS A 50 5.035 -0.682 0.770 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.869 -2.720 -0.322 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.551 -2.669 -1.476 1.00 0.00 H new ATOM 0 HG2 LYS A 50 5.378 -0.451 -2.286 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.722 -0.562 -1.167 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.491 -2.642 -2.287 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.140 -2.547 -3.399 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.956 -0.330 -4.197 1.00 0.00 H new ATOM 0 HE3 LYS A 50 8.311 -0.432 -3.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.939 -1.109 -5.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.066 -2.424 -4.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 7.754 -2.325 -5.313 1.00 0.00 H new ATOM 666 N MET A 51 3.682 0.976 -0.511 1.00 0.00 N ATOM 667 CA MET A 51 2.870 1.958 -1.209 1.00 0.00 C ATOM 668 C MET A 51 3.702 2.647 -2.269 1.00 0.00 C ATOM 669 O MET A 51 4.673 3.336 -1.957 1.00 0.00 O ATOM 670 CB MET A 51 2.297 3.001 -0.239 1.00 0.00 C ATOM 671 CG MET A 51 1.448 2.401 0.865 1.00 0.00 C ATOM 672 SD MET A 51 0.764 3.653 1.960 1.00 0.00 S ATOM 673 CE MET A 51 -0.112 2.628 3.136 1.00 0.00 C ATOM 0 H MET A 51 4.442 1.369 0.044 1.00 0.00 H new ATOM 0 HA MET A 51 2.035 1.437 -1.677 1.00 0.00 H new ATOM 0 HB2 MET A 51 3.119 3.559 0.209 1.00 0.00 H new ATOM 0 HB3 MET A 51 1.696 3.716 -0.801 1.00 0.00 H new ATOM 0 HG2 MET A 51 0.635 1.826 0.422 1.00 0.00 H new ATOM 0 HG3 MET A 51 2.052 1.704 1.446 1.00 0.00 H new ATOM 0 HE1 MET A 51 -0.577 3.259 3.893 1.00 0.00 H new ATOM 0 HE2 MET A 51 -0.882 2.056 2.618 1.00 0.00 H new ATOM 0 HE3 MET A 51 0.588 1.943 3.615 1.00 0.00 H new ATOM 683 N ILE A 52 3.332 2.448 -3.519 1.00 0.00 N ATOM 684 CA ILE A 52 4.005 3.111 -4.616 1.00 0.00 C ATOM 685 C ILE A 52 3.191 4.316 -5.062 1.00 0.00 C ATOM 686 O ILE A 52 2.093 4.186 -5.612 1.00 0.00 O ATOM 687 CB ILE A 52 4.273 2.151 -5.807 1.00 0.00 C ATOM 688 CG1 ILE A 52 4.903 2.913 -6.980 1.00 0.00 C ATOM 689 CG2 ILE A 52 2.998 1.443 -6.244 1.00 0.00 C ATOM 690 CD1 ILE A 52 5.261 2.035 -8.163 1.00 0.00 C ATOM 0 H ILE A 52 2.569 1.832 -3.799 1.00 0.00 H new ATOM 0 HA ILE A 52 4.979 3.445 -4.260 1.00 0.00 H new ATOM 0 HB ILE A 52 4.976 1.388 -5.473 1.00 0.00 H new ATOM 0 HG12 ILE A 52 4.211 3.687 -7.311 1.00 0.00 H new ATOM 0 HG13 ILE A 52 5.803 3.419 -6.630 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.219 0.778 -7.079 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.602 0.861 -5.412 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.259 2.182 -6.554 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.701 2.647 -8.950 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.978 1.277 -7.849 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.361 1.549 -8.541 1.00 0.00 H new ATOM 702 N LEU A 53 3.712 5.493 -4.775 1.00 0.00 N ATOM 703 CA LEU A 53 3.050 6.723 -5.148 1.00 0.00 C ATOM 704 C LEU A 53 3.438 7.103 -6.569 1.00 0.00 C ATOM 705 O LEU A 53 4.543 7.600 -6.798 1.00 0.00 O ATOM 706 CB LEU A 53 3.441 7.846 -4.175 1.00 0.00 C ATOM 707 CG LEU A 53 2.317 8.368 -3.273 1.00 0.00 C ATOM 708 CD1 LEU A 53 1.124 8.801 -4.107 1.00 0.00 C ATOM 709 CD2 LEU A 53 1.905 7.317 -2.254 1.00 0.00 C ATOM 0 H LEU A 53 4.596 5.621 -4.282 1.00 0.00 H new ATOM 0 HA LEU A 53 1.971 6.578 -5.100 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.252 7.486 -3.542 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.835 8.682 -4.754 1.00 0.00 H new ATOM 0 HG LEU A 53 2.692 9.235 -2.730 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.335 9.169 -3.451 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.427 9.594 -4.791 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.753 7.951 -4.679 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.106 7.712 -1.626 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.552 6.426 -2.773 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.761 7.059 -1.631 1.00 0.00 H new ATOM 721 N ILE A 54 2.545 6.862 -7.528 1.00 0.00 N ATOM 722 CA ILE A 54 2.801 7.277 -8.896 1.00 0.00 C ATOM 723 C ILE A 54 2.607 8.781 -9.001 1.00 0.00 C ATOM 724 O ILE A 54 1.529 9.279 -9.326 1.00 0.00 O ATOM 725 CB ILE A 54 1.904 6.538 -9.920 1.00 0.00 C ATOM 726 CG1 ILE A 54 2.148 5.024 -9.831 1.00 0.00 C ATOM 727 CG2 ILE A 54 2.178 7.045 -11.338 1.00 0.00 C ATOM 728 CD1 ILE A 54 1.285 4.208 -10.771 1.00 0.00 C ATOM 0 H ILE A 54 1.653 6.389 -7.382 1.00 0.00 H new ATOM 0 HA ILE A 54 3.829 7.013 -9.143 1.00 0.00 H new ATOM 0 HB ILE A 54 0.859 6.740 -9.684 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.197 4.821 -10.048 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.965 4.696 -8.808 1.00 0.00 H new ATOM 0 HG21 ILE A 54 1.539 6.515 -12.044 1.00 0.00 H new ATOM 0 HG22 ILE A 54 1.967 8.113 -11.390 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.223 6.869 -11.592 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.515 3.149 -10.650 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.233 4.379 -10.541 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.485 4.507 -11.800 1.00 0.00 H new ATOM 740 N GLN A 55 3.670 9.492 -8.684 1.00 0.00 N ATOM 741 CA GLN A 55 3.675 10.938 -8.726 1.00 0.00 C ATOM 742 C GLN A 55 4.651 11.414 -9.788 1.00 0.00 C ATOM 743 O GLN A 55 4.578 12.546 -10.260 1.00 0.00 O ATOM 744 CB GLN A 55 4.059 11.491 -7.352 1.00 0.00 C ATOM 745 CG GLN A 55 5.384 10.956 -6.838 1.00 0.00 C ATOM 746 CD GLN A 55 5.727 11.461 -5.453 1.00 0.00 C ATOM 747 OE1 GLN A 55 5.358 10.695 -4.442 1.00 0.00 O flip ATOM 748 NE2 GLN A 55 6.333 12.519 -5.297 1.00 0.00 N flip ATOM 0 H GLN A 55 4.556 9.081 -8.390 1.00 0.00 H new ATOM 0 HA GLN A 55 2.679 11.301 -8.981 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.111 12.578 -7.407 1.00 0.00 H new ATOM 0 HB3 GLN A 55 3.274 11.245 -6.637 1.00 0.00 H new ATOM 0 HG2 GLN A 55 5.349 9.867 -6.823 1.00 0.00 H new ATOM 0 HG3 GLN A 55 6.177 11.240 -7.529 1.00 0.00 H new ATOM 0 HE21 GLN A 55 6.598 13.079 -6.107 1.00 0.00 H new ATOM 0 HE22 GLN A 55 6.571 12.837 -4.357 1.00 0.00 H new ATOM 757 N ASP A 56 5.566 10.527 -10.152 1.00 0.00 N ATOM 758 CA ASP A 56 6.528 10.795 -11.208 1.00 0.00 C ATOM 759 C ASP A 56 6.018 10.235 -12.529 1.00 0.00 C ATOM 760 O ASP A 56 6.358 10.742 -13.603 1.00 0.00 O ATOM 761 CB ASP A 56 7.891 10.187 -10.861 1.00 0.00 C ATOM 762 CG ASP A 56 7.827 8.688 -10.638 1.00 0.00 C ATOM 763 OD1 ASP A 56 7.301 8.260 -9.586 1.00 0.00 O ATOM 764 OD2 ASP A 56 8.296 7.931 -11.510 1.00 0.00 O ATOM 0 H ASP A 56 5.661 9.606 -9.725 1.00 0.00 H new ATOM 0 HA ASP A 56 6.650 11.874 -11.305 1.00 0.00 H new ATOM 0 HB2 ASP A 56 8.594 10.400 -11.666 1.00 0.00 H new ATOM 0 HB3 ASP A 56 8.280 10.667 -9.963 1.00 0.00 H new ATOM 769 N GLY A 57 5.195 9.187 -12.440 1.00 0.00 N ATOM 770 CA GLY A 57 4.562 8.623 -13.619 1.00 0.00 C ATOM 771 C GLY A 57 3.625 9.620 -14.258 1.00 0.00 C ATOM 772 O GLY A 57 2.533 9.875 -13.748 1.00 0.00 O ATOM 0 H GLY A 57 4.957 8.719 -11.566 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.325 8.323 -14.337 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.010 7.724 -13.345 1.00 0.00 H new ATOM 776 N SER A 58 4.051 10.187 -15.374 1.00 0.00 N ATOM 777 CA SER A 58 3.358 11.315 -15.970 1.00 0.00 C ATOM 778 C SER A 58 2.137 10.890 -16.781 1.00 0.00 C ATOM 779 O SER A 58 2.083 11.063 -17.997 1.00 0.00 O ATOM 780 CB SER A 58 4.330 12.103 -16.834 1.00 0.00 C ATOM 781 OG SER A 58 5.512 12.397 -16.104 1.00 0.00 O ATOM 0 H SER A 58 4.878 9.882 -15.887 1.00 0.00 H new ATOM 0 HA SER A 58 2.987 11.945 -15.162 1.00 0.00 H new ATOM 0 HB2 SER A 58 4.579 11.531 -17.727 1.00 0.00 H new ATOM 0 HB3 SER A 58 3.862 13.029 -17.169 1.00 0.00 H new ATOM 0 HG SER A 58 6.130 12.903 -16.672 1.00 0.00 H new ATOM 787 N GLN A 59 1.167 10.324 -16.086 1.00 0.00 N ATOM 788 CA GLN A 59 -0.135 10.036 -16.663 1.00 0.00 C ATOM 789 C GLN A 59 -1.192 10.776 -15.862 1.00 0.00 C ATOM 790 O GLN A 59 -2.050 11.469 -16.412 1.00 0.00 O ATOM 791 CB GLN A 59 -0.428 8.532 -16.646 1.00 0.00 C ATOM 792 CG GLN A 59 0.649 7.683 -17.299 1.00 0.00 C ATOM 793 CD GLN A 59 0.878 8.018 -18.764 1.00 0.00 C ATOM 794 OE1 GLN A 59 -0.169 8.426 -19.465 1.00 0.00 O flip ATOM 795 NE2 GLN A 59 1.995 7.895 -19.265 1.00 0.00 N flip ATOM 0 H GLN A 59 1.258 10.051 -15.107 1.00 0.00 H new ATOM 0 HA GLN A 59 -0.145 10.365 -17.702 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -0.554 8.209 -15.613 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -1.375 8.352 -17.154 1.00 0.00 H new ATOM 0 HG2 GLN A 59 1.584 7.813 -16.754 1.00 0.00 H new ATOM 0 HG3 GLN A 59 0.374 6.632 -17.213 1.00 0.00 H new ATOM 0 HE21 GLN A 59 2.778 7.578 -18.694 1.00 0.00 H new ATOM 0 HE22 GLN A 59 2.138 8.110 -20.252 1.00 0.00 H new ATOM 804 N ASN A 60 -1.100 10.638 -14.547 1.00 0.00 N ATOM 805 CA ASN A 60 -2.017 11.292 -13.631 1.00 0.00 C ATOM 806 C ASN A 60 -1.256 12.263 -12.736 1.00 0.00 C ATOM 807 O ASN A 60 -1.649 12.516 -11.602 1.00 0.00 O ATOM 808 CB ASN A 60 -2.741 10.254 -12.769 1.00 0.00 C ATOM 809 CG ASN A 60 -3.521 9.241 -13.586 1.00 0.00 C ATOM 810 OD1 ASN A 60 -2.992 8.201 -13.979 1.00 0.00 O ATOM 811 ND2 ASN A 60 -4.785 9.535 -13.837 1.00 0.00 N ATOM 0 H ASN A 60 -0.388 10.070 -14.088 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.755 11.843 -14.213 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.011 9.730 -12.152 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.423 10.766 -12.090 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.362 8.889 -14.375 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -5.184 10.408 -13.492 1.00 0.00 H new ATOM 818 N THR A 61 -0.169 12.810 -13.266 1.00 0.00 N ATOM 819 CA THR A 61 0.715 13.681 -12.499 1.00 0.00 C ATOM 820 C THR A 61 0.017 14.953 -12.027 1.00 0.00 C ATOM 821 O THR A 61 0.272 15.437 -10.927 1.00 0.00 O ATOM 822 CB THR A 61 1.949 14.060 -13.331 1.00 0.00 C ATOM 823 OG1 THR A 61 1.629 13.993 -14.729 1.00 0.00 O ATOM 824 CG2 THR A 61 3.119 13.141 -13.021 1.00 0.00 C ATOM 0 H THR A 61 0.124 12.664 -14.232 1.00 0.00 H new ATOM 0 HA THR A 61 1.018 13.118 -11.616 1.00 0.00 H new ATOM 0 HB THR A 61 2.240 15.078 -13.073 1.00 0.00 H new ATOM 0 HG1 THR A 61 2.418 14.237 -15.257 1.00 0.00 H new ATOM 0 HG21 THR A 61 3.979 13.431 -13.624 1.00 0.00 H new ATOM 0 HG22 THR A 61 3.373 13.220 -11.964 1.00 0.00 H new ATOM 0 HG23 THR A 61 2.845 12.112 -13.253 1.00 0.00 H new ATOM 832 N ASN A 62 -0.864 15.489 -12.856 1.00 0.00 N ATOM 833 CA ASN A 62 -1.542 16.741 -12.530 1.00 0.00 C ATOM 834 C ASN A 62 -2.970 16.502 -12.041 1.00 0.00 C ATOM 835 O ASN A 62 -3.755 17.441 -11.911 1.00 0.00 O ATOM 836 CB ASN A 62 -1.557 17.681 -13.739 1.00 0.00 C ATOM 837 CG ASN A 62 -2.422 17.173 -14.882 1.00 0.00 C ATOM 838 OD1 ASN A 62 -2.542 15.965 -15.110 1.00 0.00 O ATOM 839 ND2 ASN A 62 -3.033 18.097 -15.605 1.00 0.00 N ATOM 0 H ASN A 62 -1.128 15.083 -13.754 1.00 0.00 H new ATOM 0 HA ASN A 62 -0.981 17.208 -11.721 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.919 18.660 -13.425 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -0.537 17.818 -14.097 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -3.630 17.822 -16.385 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -2.907 19.084 -15.383 1.00 0.00 H new ATOM 846 N VAL A 63 -3.301 15.248 -11.766 1.00 0.00 N ATOM 847 CA VAL A 63 -4.637 14.896 -11.293 1.00 0.00 C ATOM 848 C VAL A 63 -4.546 13.918 -10.128 1.00 0.00 C ATOM 849 O VAL A 63 -3.530 13.874 -9.432 1.00 0.00 O ATOM 850 CB VAL A 63 -5.507 14.277 -12.412 1.00 0.00 C ATOM 851 CG1 VAL A 63 -5.871 15.319 -13.459 1.00 0.00 C ATOM 852 CG2 VAL A 63 -4.801 13.100 -13.060 1.00 0.00 C ATOM 0 H VAL A 63 -2.665 14.456 -11.861 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.113 15.821 -10.966 1.00 0.00 H new ATOM 0 HB VAL A 63 -6.428 13.915 -11.955 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.483 14.858 -14.234 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -6.430 16.128 -12.989 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -4.961 15.720 -13.905 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -5.434 12.683 -13.843 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.859 13.435 -13.494 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.603 12.336 -12.308 1.00 0.00 H new ATOM 862 N ASP A 64 -5.611 13.154 -9.905 1.00 0.00 N ATOM 863 CA ASP A 64 -5.624 12.137 -8.857 1.00 0.00 C ATOM 864 C ASP A 64 -4.491 11.141 -9.081 1.00 0.00 C ATOM 865 O ASP A 64 -4.279 10.671 -10.198 1.00 0.00 O ATOM 866 CB ASP A 64 -6.963 11.397 -8.834 1.00 0.00 C ATOM 867 CG ASP A 64 -8.154 12.331 -8.762 1.00 0.00 C ATOM 868 OD1 ASP A 64 -8.562 12.851 -9.821 1.00 0.00 O ATOM 869 OD2 ASP A 64 -8.697 12.539 -7.656 1.00 0.00 O ATOM 0 H ASP A 64 -6.479 13.220 -10.437 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.485 12.635 -7.897 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -7.046 10.779 -9.728 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.985 10.723 -7.978 1.00 0.00 H new ATOM 874 N LYS A 65 -3.781 10.817 -8.013 1.00 0.00 N ATOM 875 CA LYS A 65 -2.571 10.009 -8.101 1.00 0.00 C ATOM 876 C LYS A 65 -2.889 8.534 -7.957 1.00 0.00 C ATOM 877 O LYS A 65 -3.627 8.142 -7.058 1.00 0.00 O ATOM 878 CB LYS A 65 -1.573 10.408 -7.009 1.00 0.00 C ATOM 879 CG LYS A 65 -1.216 11.886 -7.011 1.00 0.00 C ATOM 880 CD LYS A 65 -0.686 12.331 -8.366 1.00 0.00 C ATOM 881 CE LYS A 65 -0.485 13.839 -8.416 1.00 0.00 C ATOM 882 NZ LYS A 65 0.709 14.276 -7.648 1.00 0.00 N ATOM 0 H LYS A 65 -4.023 11.104 -7.065 1.00 0.00 H new ATOM 0 HA LYS A 65 -2.132 10.188 -9.082 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -1.990 10.146 -6.036 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -0.661 9.824 -7.133 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -2.097 12.474 -6.753 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -0.466 12.081 -6.244 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.260 11.829 -8.571 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -1.383 12.029 -9.148 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -0.382 14.155 -9.454 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.371 14.334 -8.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.804 15.310 -7.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 0.601 13.999 -6.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.559 13.825 -8.042 1.00 0.00 H new ATOM 896 N PRO A 66 -2.336 7.705 -8.847 1.00 0.00 N ATOM 897 CA PRO A 66 -2.449 6.251 -8.755 1.00 0.00 C ATOM 898 C PRO A 66 -1.597 5.694 -7.614 1.00 0.00 C ATOM 899 O PRO A 66 -0.367 5.644 -7.710 1.00 0.00 O ATOM 900 CB PRO A 66 -1.914 5.757 -10.108 1.00 0.00 C ATOM 901 CG PRO A 66 -1.818 6.972 -10.968 1.00 0.00 C ATOM 902 CD PRO A 66 -1.571 8.112 -10.027 1.00 0.00 C ATOM 0 HA PRO A 66 -3.470 5.930 -8.550 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.941 5.279 -9.994 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.583 5.017 -10.548 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -1.008 6.878 -11.691 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.736 7.124 -11.536 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -0.511 8.234 -9.804 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -1.922 9.060 -10.434 1.00 0.00 H new ATOM 910 N LEU A 67 -2.248 5.295 -6.534 1.00 0.00 N ATOM 911 CA LEU A 67 -1.552 4.739 -5.385 1.00 0.00 C ATOM 912 C LEU A 67 -1.823 3.248 -5.268 1.00 0.00 C ATOM 913 O LEU A 67 -2.957 2.834 -5.054 1.00 0.00 O ATOM 914 CB LEU A 67 -1.985 5.443 -4.093 1.00 0.00 C ATOM 915 CG LEU A 67 -1.559 4.738 -2.798 1.00 0.00 C ATOM 916 CD1 LEU A 67 -0.046 4.592 -2.728 1.00 0.00 C ATOM 917 CD2 LEU A 67 -2.081 5.484 -1.579 1.00 0.00 C ATOM 0 H LEU A 67 -3.261 5.346 -6.429 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.484 4.898 -5.532 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.574 6.453 -4.092 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.071 5.540 -4.096 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.996 3.739 -2.802 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.229 4.089 -1.801 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.302 4.003 -3.577 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.416 5.579 -2.757 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.767 4.966 -0.673 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.681 6.498 -1.574 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.170 5.523 -1.615 1.00 0.00 H new ATOM 929 N ARG A 68 -0.780 2.450 -5.416 1.00 0.00 N ATOM 930 CA ARG A 68 -0.904 1.012 -5.250 1.00 0.00 C ATOM 931 C ARG A 68 -0.421 0.582 -3.876 1.00 0.00 C ATOM 932 O ARG A 68 0.778 0.622 -3.589 1.00 0.00 O ATOM 933 CB ARG A 68 -0.116 0.261 -6.324 1.00 0.00 C ATOM 934 CG ARG A 68 -0.732 0.349 -7.702 1.00 0.00 C ATOM 935 CD ARG A 68 -0.024 -0.551 -8.695 1.00 0.00 C ATOM 936 NE ARG A 68 -0.697 -0.539 -9.993 1.00 0.00 N ATOM 937 CZ ARG A 68 -0.408 -1.364 -10.998 1.00 0.00 C ATOM 938 NH1 ARG A 68 0.556 -2.269 -10.873 1.00 0.00 N ATOM 939 NH2 ARG A 68 -1.097 -1.284 -12.131 1.00 0.00 N ATOM 0 H ARG A 68 0.159 2.772 -5.650 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.961 0.764 -5.351 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.898 0.659 -6.363 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -0.037 -0.788 -6.037 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -1.785 0.072 -7.648 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -0.691 1.380 -8.053 1.00 0.00 H new ATOM 0 HD2 ARG A 68 1.009 -0.223 -8.815 1.00 0.00 H new ATOM 0 HD3 ARG A 68 0.008 -1.570 -8.308 1.00 0.00 H new ATOM 0 HE ARG A 68 -1.437 0.147 -10.139 1.00 0.00 H new ATOM 0 HH11 ARG A 68 1.082 -2.337 -10.002 1.00 0.00 H new ATOM 0 HH12 ARG A 68 0.770 -2.896 -11.648 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -1.842 -0.594 -12.227 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -0.881 -1.913 -12.905 1.00 0.00 H new ATOM 953 N ILE A 69 -1.353 0.200 -3.019 1.00 0.00 N ATOM 954 CA ILE A 69 -0.999 -0.413 -1.753 1.00 0.00 C ATOM 955 C ILE A 69 -0.846 -1.908 -1.977 1.00 0.00 C ATOM 956 O ILE A 69 -1.833 -2.620 -2.159 1.00 0.00 O ATOM 957 CB ILE A 69 -2.042 -0.168 -0.634 1.00 0.00 C ATOM 958 CG1 ILE A 69 -2.276 1.327 -0.391 1.00 0.00 C ATOM 959 CG2 ILE A 69 -1.599 -0.841 0.656 1.00 0.00 C ATOM 960 CD1 ILE A 69 -3.243 1.958 -1.366 1.00 0.00 C ATOM 0 H ILE A 69 -2.355 0.303 -3.177 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.070 0.046 -1.414 1.00 0.00 H new ATOM 0 HB ILE A 69 -2.985 -0.603 -0.964 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -2.653 1.467 0.622 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.321 1.849 -0.451 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -2.341 -0.661 1.434 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -1.499 -1.914 0.491 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -0.639 -0.431 0.969 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -3.358 3.016 -1.131 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.859 1.851 -2.380 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -4.211 1.462 -1.291 1.00 0.00 H new ATOM 972 N ILE A 70 0.393 -2.363 -2.005 1.00 0.00 N ATOM 973 CA ILE A 70 0.695 -3.749 -2.312 1.00 0.00 C ATOM 974 C ILE A 70 0.890 -4.553 -1.030 1.00 0.00 C ATOM 975 O ILE A 70 1.686 -4.173 -0.166 1.00 0.00 O ATOM 976 CB ILE A 70 1.970 -3.857 -3.180 1.00 0.00 C ATOM 977 CG1 ILE A 70 1.923 -2.841 -4.328 1.00 0.00 C ATOM 978 CG2 ILE A 70 2.114 -5.266 -3.733 1.00 0.00 C ATOM 979 CD1 ILE A 70 3.193 -2.796 -5.154 1.00 0.00 C ATOM 0 H ILE A 70 1.213 -1.787 -1.817 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.150 -4.155 -2.868 1.00 0.00 H new ATOM 0 HB ILE A 70 2.834 -3.636 -2.554 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.084 -3.082 -4.981 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.732 -1.850 -3.917 1.00 0.00 H new ATOM 0 HG21 ILE A 70 3.016 -5.327 -4.342 1.00 0.00 H new ATOM 0 HG22 ILE A 70 2.184 -5.975 -2.908 1.00 0.00 H new ATOM 0 HG23 ILE A 70 1.245 -5.507 -4.346 1.00 0.00 H new ATOM 0 HD11 ILE A 70 3.086 -2.055 -5.946 1.00 0.00 H new ATOM 0 HD12 ILE A 70 4.033 -2.525 -4.515 1.00 0.00 H new ATOM 0 HD13 ILE A 70 3.375 -3.776 -5.596 1.00 0.00 H new ATOM 991 N GLY A 71 0.150 -5.648 -0.905 1.00 0.00 N ATOM 992 CA GLY A 71 0.282 -6.502 0.256 1.00 0.00 C ATOM 993 C GLY A 71 -0.760 -7.606 0.303 1.00 0.00 C ATOM 994 O GLY A 71 -0.812 -8.464 -0.574 1.00 0.00 O ATOM 0 H GLY A 71 -0.540 -5.959 -1.589 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.276 -6.948 0.261 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.201 -5.895 1.158 1.00 0.00 H new ATOM 998 N ASP A 72 -1.589 -7.562 1.334 1.00 0.00 N ATOM 999 CA ASP A 72 -2.620 -8.567 1.589 1.00 0.00 C ATOM 1000 C ASP A 72 -3.936 -7.858 1.867 1.00 0.00 C ATOM 1001 O ASP A 72 -3.902 -6.767 2.429 1.00 0.00 O ATOM 1002 CB ASP A 72 -2.224 -9.419 2.797 1.00 0.00 C ATOM 1003 CG ASP A 72 -3.349 -10.313 3.283 1.00 0.00 C ATOM 1004 OD1 ASP A 72 -3.497 -11.430 2.748 1.00 0.00 O ATOM 1005 OD2 ASP A 72 -4.089 -9.896 4.199 1.00 0.00 O ATOM 0 H ASP A 72 -1.568 -6.817 2.031 1.00 0.00 H new ATOM 0 HA ASP A 72 -2.727 -9.217 0.720 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.364 -10.036 2.534 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.910 -8.764 3.610 1.00 0.00 H new ATOM 1010 N PRO A 73 -5.097 -8.431 1.480 1.00 0.00 N ATOM 1011 CA PRO A 73 -6.407 -7.787 1.663 1.00 0.00 C ATOM 1012 C PRO A 73 -6.541 -7.087 3.012 1.00 0.00 C ATOM 1013 O PRO A 73 -7.062 -5.973 3.098 1.00 0.00 O ATOM 1014 CB PRO A 73 -7.376 -8.961 1.572 1.00 0.00 C ATOM 1015 CG PRO A 73 -6.720 -9.919 0.641 1.00 0.00 C ATOM 1016 CD PRO A 73 -5.233 -9.754 0.831 1.00 0.00 C ATOM 0 HA PRO A 73 -6.582 -7.001 0.928 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.545 -9.412 2.550 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -8.348 -8.644 1.194 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.027 -10.942 0.858 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -7.004 -9.713 -0.391 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -4.820 -10.548 1.454 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -4.703 -9.787 -0.121 1.00 0.00 H new ATOM 1024 N TYR A 74 -6.026 -7.734 4.051 1.00 0.00 N ATOM 1025 CA TYR A 74 -6.090 -7.202 5.402 1.00 0.00 C ATOM 1026 C TYR A 74 -5.275 -5.919 5.527 1.00 0.00 C ATOM 1027 O TYR A 74 -5.825 -4.851 5.798 1.00 0.00 O ATOM 1028 CB TYR A 74 -5.573 -8.252 6.387 1.00 0.00 C ATOM 1029 CG TYR A 74 -5.510 -7.805 7.833 1.00 0.00 C ATOM 1030 CD1 TYR A 74 -6.645 -7.805 8.634 1.00 0.00 C ATOM 1031 CD2 TYR A 74 -4.304 -7.403 8.401 1.00 0.00 C ATOM 1032 CE1 TYR A 74 -6.580 -7.419 9.960 1.00 0.00 C ATOM 1033 CE2 TYR A 74 -4.234 -7.013 9.726 1.00 0.00 C ATOM 1034 CZ TYR A 74 -5.374 -7.022 10.499 1.00 0.00 C ATOM 1035 OH TYR A 74 -5.309 -6.640 11.819 1.00 0.00 O ATOM 0 H TYR A 74 -5.556 -8.636 3.979 1.00 0.00 H new ATOM 0 HA TYR A 74 -7.128 -6.963 5.633 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -6.212 -9.133 6.323 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.575 -8.559 6.075 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -7.592 -8.111 8.215 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -3.409 -7.396 7.797 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -7.470 -7.428 10.571 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -3.291 -6.703 10.152 1.00 0.00 H new ATOM 0 HH TYR A 74 -4.388 -6.390 12.042 1.00 0.00 H new ATOM 1045 N LYS A 75 -3.967 -6.016 5.312 1.00 0.00 N ATOM 1046 CA LYS A 75 -3.091 -4.866 5.495 1.00 0.00 C ATOM 1047 C LYS A 75 -3.306 -3.816 4.421 1.00 0.00 C ATOM 1048 O LYS A 75 -3.152 -2.636 4.684 1.00 0.00 O ATOM 1049 CB LYS A 75 -1.613 -5.268 5.545 1.00 0.00 C ATOM 1050 CG LYS A 75 -1.191 -6.286 4.499 1.00 0.00 C ATOM 1051 CD LYS A 75 0.274 -6.683 4.675 1.00 0.00 C ATOM 1052 CE LYS A 75 0.742 -7.648 3.595 1.00 0.00 C ATOM 1053 NZ LYS A 75 2.197 -7.959 3.703 1.00 0.00 N ATOM 0 H LYS A 75 -3.495 -6.870 5.014 1.00 0.00 H new ATOM 0 HA LYS A 75 -3.358 -4.433 6.459 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.004 -4.372 5.426 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.395 -5.673 6.533 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -1.822 -7.172 4.574 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.341 -5.871 3.502 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.896 -5.788 4.655 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.409 -7.143 5.654 1.00 0.00 H new ATOM 0 HE2 LYS A 75 0.169 -8.573 3.665 1.00 0.00 H new ATOM 0 HE3 LYS A 75 0.537 -7.219 2.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.565 -8.228 2.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.707 -7.120 4.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.335 -8.746 4.369 1.00 0.00 H new ATOM 1067 N VAL A 76 -3.677 -4.237 3.221 1.00 0.00 N ATOM 1068 CA VAL A 76 -3.917 -3.292 2.140 1.00 0.00 C ATOM 1069 C VAL A 76 -5.125 -2.425 2.460 1.00 0.00 C ATOM 1070 O VAL A 76 -5.103 -1.214 2.242 1.00 0.00 O ATOM 1071 CB VAL A 76 -4.127 -4.002 0.786 1.00 0.00 C ATOM 1072 CG1 VAL A 76 -4.555 -3.017 -0.286 1.00 0.00 C ATOM 1073 CG2 VAL A 76 -2.857 -4.707 0.356 1.00 0.00 C ATOM 0 H VAL A 76 -3.817 -5.216 2.972 1.00 0.00 H new ATOM 0 HA VAL A 76 -3.029 -2.666 2.052 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.920 -4.739 0.915 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -4.696 -3.544 -1.229 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -5.492 -2.543 0.008 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -3.785 -2.255 -0.408 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.022 -5.203 -0.601 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.053 -3.978 0.253 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.581 -5.448 1.106 1.00 0.00 H new ATOM 1083 N GLN A 77 -6.161 -3.038 3.018 1.00 0.00 N ATOM 1084 CA GLN A 77 -7.368 -2.305 3.347 1.00 0.00 C ATOM 1085 C GLN A 77 -7.114 -1.426 4.565 1.00 0.00 C ATOM 1086 O GLN A 77 -7.521 -0.269 4.597 1.00 0.00 O ATOM 1087 CB GLN A 77 -8.535 -3.265 3.591 1.00 0.00 C ATOM 1088 CG GLN A 77 -9.877 -2.733 3.103 1.00 0.00 C ATOM 1089 CD GLN A 77 -10.472 -1.660 3.999 1.00 0.00 C ATOM 1090 OE1 GLN A 77 -10.143 -0.405 3.735 1.00 0.00 O flip ATOM 1091 NE2 GLN A 77 -11.226 -1.961 4.924 1.00 0.00 N flip ATOM 0 H GLN A 77 -6.187 -4.031 3.249 1.00 0.00 H new ATOM 0 HA GLN A 77 -7.640 -1.667 2.506 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -8.326 -4.211 3.092 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -8.604 -3.476 4.658 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -9.753 -2.328 2.099 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -10.581 -3.562 3.028 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -11.456 -2.940 5.096 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -11.621 -1.232 5.518 1.00 0.00 H new ATOM 1100 N GLN A 78 -6.393 -1.958 5.547 1.00 0.00 N ATOM 1101 CA GLN A 78 -6.064 -1.180 6.736 1.00 0.00 C ATOM 1102 C GLN A 78 -5.110 -0.049 6.390 1.00 0.00 C ATOM 1103 O GLN A 78 -5.149 1.021 7.003 1.00 0.00 O ATOM 1104 CB GLN A 78 -5.458 -2.055 7.825 1.00 0.00 C ATOM 1105 CG GLN A 78 -6.480 -2.942 8.508 1.00 0.00 C ATOM 1106 CD GLN A 78 -5.953 -3.556 9.786 1.00 0.00 C ATOM 1107 OE1 GLN A 78 -4.756 -3.820 9.917 1.00 0.00 O ATOM 1108 NE2 GLN A 78 -6.839 -3.770 10.745 1.00 0.00 N ATOM 0 H GLN A 78 -6.030 -2.911 5.544 1.00 0.00 H new ATOM 0 HA GLN A 78 -6.994 -0.757 7.117 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -4.677 -2.678 7.390 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -4.980 -1.419 8.571 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -7.372 -2.357 8.731 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -6.781 -3.736 7.825 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -7.820 -3.537 10.594 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -6.541 -4.168 11.635 1.00 0.00 H new ATOM 1117 N ALA A 79 -4.254 -0.288 5.411 1.00 0.00 N ATOM 1118 CA ALA A 79 -3.351 0.732 4.926 1.00 0.00 C ATOM 1119 C ALA A 79 -4.125 1.769 4.121 1.00 0.00 C ATOM 1120 O ALA A 79 -3.803 2.956 4.142 1.00 0.00 O ATOM 1121 CB ALA A 79 -2.239 0.105 4.099 1.00 0.00 C ATOM 0 H ALA A 79 -4.168 -1.187 4.936 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.889 1.236 5.775 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.568 0.885 3.741 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.681 -0.600 4.715 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.671 -0.421 3.247 1.00 0.00 H new ATOM 1127 N CYS A 80 -5.159 1.308 3.424 1.00 0.00 N ATOM 1128 CA CYS A 80 -6.082 2.200 2.736 1.00 0.00 C ATOM 1129 C CYS A 80 -6.787 3.092 3.751 1.00 0.00 C ATOM 1130 O CYS A 80 -6.828 4.309 3.591 1.00 0.00 O ATOM 1131 CB CYS A 80 -7.105 1.394 1.930 1.00 0.00 C ATOM 1132 SG CYS A 80 -8.369 2.398 1.117 1.00 0.00 S ATOM 0 H CYS A 80 -5.378 0.317 3.321 1.00 0.00 H new ATOM 0 HA CYS A 80 -5.520 2.826 2.043 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -6.578 0.813 1.174 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -7.595 0.683 2.595 1.00 0.00 H new ATOM 0 HG CYS A 80 -9.182 1.624 0.461 1.00 0.00 H new ATOM 1138 N GLU A 81 -7.311 2.479 4.814 1.00 0.00 N ATOM 1139 CA GLU A 81 -7.948 3.218 5.906 1.00 0.00 C ATOM 1140 C GLU A 81 -6.990 4.240 6.497 1.00 0.00 C ATOM 1141 O GLU A 81 -7.403 5.284 6.999 1.00 0.00 O ATOM 1142 CB GLU A 81 -8.392 2.260 7.011 1.00 0.00 C ATOM 1143 CG GLU A 81 -9.445 1.264 6.572 1.00 0.00 C ATOM 1144 CD GLU A 81 -9.852 0.322 7.687 1.00 0.00 C ATOM 1145 OE1 GLU A 81 -9.009 -0.493 8.123 1.00 0.00 O ATOM 1146 OE2 GLU A 81 -11.013 0.395 8.138 1.00 0.00 O ATOM 0 H GLU A 81 -7.307 1.467 4.942 1.00 0.00 H new ATOM 0 HA GLU A 81 -8.817 3.733 5.496 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -7.522 1.716 7.378 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -8.781 2.841 7.847 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -10.324 1.802 6.216 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -9.064 0.684 5.731 1.00 0.00 H new ATOM 1153 N MET A 82 -5.708 3.922 6.424 1.00 0.00 N ATOM 1154 CA MET A 82 -4.664 4.768 6.977 1.00 0.00 C ATOM 1155 C MET A 82 -4.446 5.997 6.100 1.00 0.00 C ATOM 1156 O MET A 82 -4.473 7.124 6.588 1.00 0.00 O ATOM 1157 CB MET A 82 -3.362 3.973 7.097 1.00 0.00 C ATOM 1158 CG MET A 82 -2.233 4.730 7.774 1.00 0.00 C ATOM 1159 SD MET A 82 -0.672 3.827 7.722 1.00 0.00 S ATOM 1160 CE MET A 82 -1.154 2.266 8.445 1.00 0.00 C ATOM 0 H MET A 82 -5.362 3.071 5.980 1.00 0.00 H new ATOM 0 HA MET A 82 -4.975 5.102 7.967 1.00 0.00 H new ATOM 0 HB2 MET A 82 -3.558 3.058 7.656 1.00 0.00 H new ATOM 0 HB3 MET A 82 -3.038 3.674 6.100 1.00 0.00 H new ATOM 0 HG2 MET A 82 -2.106 5.698 7.289 1.00 0.00 H new ATOM 0 HG3 MET A 82 -2.502 4.926 8.812 1.00 0.00 H new ATOM 0 HE1 MET A 82 -0.322 1.564 8.384 1.00 0.00 H new ATOM 0 HE2 MET A 82 -1.425 2.417 9.490 1.00 0.00 H new ATOM 0 HE3 MET A 82 -2.009 1.863 7.903 1.00 0.00 H new ATOM 1170 N VAL A 83 -4.259 5.778 4.802 1.00 0.00 N ATOM 1171 CA VAL A 83 -3.958 6.871 3.888 1.00 0.00 C ATOM 1172 C VAL A 83 -5.205 7.695 3.609 1.00 0.00 C ATOM 1173 O VAL A 83 -5.143 8.919 3.533 1.00 0.00 O ATOM 1174 CB VAL A 83 -3.347 6.373 2.557 1.00 0.00 C ATOM 1175 CG1 VAL A 83 -2.018 5.684 2.815 1.00 0.00 C ATOM 1176 CG2 VAL A 83 -4.296 5.436 1.819 1.00 0.00 C ATOM 0 H VAL A 83 -4.310 4.859 4.363 1.00 0.00 H new ATOM 0 HA VAL A 83 -3.213 7.497 4.379 1.00 0.00 H new ATOM 0 HB VAL A 83 -3.181 7.242 1.921 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.598 5.338 1.870 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.329 6.387 3.283 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.172 4.832 3.477 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.832 5.107 0.889 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.511 4.569 2.444 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -5.225 5.961 1.595 1.00 0.00 H new ATOM 1186 N MET A 84 -6.340 7.014 3.492 1.00 0.00 N ATOM 1187 CA MET A 84 -7.610 7.672 3.231 1.00 0.00 C ATOM 1188 C MET A 84 -7.976 8.582 4.398 1.00 0.00 C ATOM 1189 O MET A 84 -8.554 9.652 4.207 1.00 0.00 O ATOM 1190 CB MET A 84 -8.705 6.628 3.005 1.00 0.00 C ATOM 1191 CG MET A 84 -10.035 7.219 2.588 1.00 0.00 C ATOM 1192 SD MET A 84 -11.320 5.965 2.401 1.00 0.00 S ATOM 1193 CE MET A 84 -12.715 6.982 1.931 1.00 0.00 C ATOM 0 H MET A 84 -6.403 5.999 3.575 1.00 0.00 H new ATOM 0 HA MET A 84 -7.517 8.280 2.331 1.00 0.00 H new ATOM 0 HB2 MET A 84 -8.373 5.927 2.239 1.00 0.00 H new ATOM 0 HB3 MET A 84 -8.844 6.056 3.922 1.00 0.00 H new ATOM 0 HG2 MET A 84 -10.352 7.952 3.330 1.00 0.00 H new ATOM 0 HG3 MET A 84 -9.912 7.752 1.645 1.00 0.00 H new ATOM 0 HE1 MET A 84 -13.590 6.351 1.779 1.00 0.00 H new ATOM 0 HE2 MET A 84 -12.921 7.704 2.721 1.00 0.00 H new ATOM 0 HE3 MET A 84 -12.484 7.512 1.007 1.00 0.00 H new ATOM 1203 N ASP A 85 -7.611 8.155 5.603 1.00 0.00 N ATOM 1204 CA ASP A 85 -7.879 8.929 6.813 1.00 0.00 C ATOM 1205 C ASP A 85 -7.130 10.250 6.765 1.00 0.00 C ATOM 1206 O ASP A 85 -7.701 11.305 7.018 1.00 0.00 O ATOM 1207 CB ASP A 85 -7.457 8.137 8.049 1.00 0.00 C ATOM 1208 CG ASP A 85 -7.952 8.737 9.350 1.00 0.00 C ATOM 1209 OD1 ASP A 85 -7.275 9.625 9.903 1.00 0.00 O ATOM 1210 OD2 ASP A 85 -9.007 8.285 9.846 1.00 0.00 O ATOM 0 H ASP A 85 -7.126 7.273 5.769 1.00 0.00 H new ATOM 0 HA ASP A 85 -8.949 9.130 6.870 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -7.832 7.117 7.963 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -6.369 8.075 8.077 1.00 0.00 H new ATOM 1215 N ILE A 86 -5.852 10.180 6.399 1.00 0.00 N ATOM 1216 CA ILE A 86 -5.011 11.367 6.296 1.00 0.00 C ATOM 1217 C ILE A 86 -5.518 12.289 5.192 1.00 0.00 C ATOM 1218 O ILE A 86 -5.446 13.512 5.304 1.00 0.00 O ATOM 1219 CB ILE A 86 -3.539 10.995 5.998 1.00 0.00 C ATOM 1220 CG1 ILE A 86 -3.042 9.944 6.993 1.00 0.00 C ATOM 1221 CG2 ILE A 86 -2.650 12.231 6.055 1.00 0.00 C ATOM 1222 CD1 ILE A 86 -1.624 9.478 6.736 1.00 0.00 C ATOM 0 H ILE A 86 -5.376 9.308 6.168 1.00 0.00 H new ATOM 0 HA ILE A 86 -5.059 11.878 7.257 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.490 10.578 4.992 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -3.102 10.355 8.001 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -3.709 9.082 6.960 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -1.619 11.948 5.843 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -2.987 12.956 5.314 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -2.707 12.675 7.049 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.345 8.734 7.482 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.561 9.036 5.742 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.945 10.328 6.799 1.00 0.00 H new ATOM 1234 N LEU A 87 -6.049 11.698 4.128 1.00 0.00 N ATOM 1235 CA LEU A 87 -6.538 12.474 2.998 1.00 0.00 C ATOM 1236 C LEU A 87 -7.892 13.109 3.315 1.00 0.00 C ATOM 1237 O LEU A 87 -8.352 14.004 2.607 1.00 0.00 O ATOM 1238 CB LEU A 87 -6.644 11.604 1.745 1.00 0.00 C ATOM 1239 CG LEU A 87 -5.349 10.906 1.326 1.00 0.00 C ATOM 1240 CD1 LEU A 87 -5.545 10.188 0.005 1.00 0.00 C ATOM 1241 CD2 LEU A 87 -4.199 11.898 1.235 1.00 0.00 C ATOM 0 H LEU A 87 -6.151 10.688 4.025 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.819 13.271 2.807 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -7.409 10.846 1.912 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -6.987 12.226 0.918 1.00 0.00 H new ATOM 0 HG LEU A 87 -5.094 10.170 2.088 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.616 9.695 -0.283 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.334 9.443 0.109 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.826 10.909 -0.763 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.291 11.375 0.935 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -4.437 12.664 0.497 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.044 12.366 2.207 1.00 0.00 H new ATOM 1253 N ARG A 88 -8.527 12.640 4.378 1.00 0.00 N ATOM 1254 CA ARG A 88 -9.773 13.236 4.844 1.00 0.00 C ATOM 1255 C ARG A 88 -9.529 13.972 6.155 1.00 0.00 C ATOM 1256 O ARG A 88 -10.464 14.432 6.812 1.00 0.00 O ATOM 1257 CB ARG A 88 -10.864 12.173 5.022 1.00 0.00 C ATOM 1258 CG ARG A 88 -11.133 11.348 3.769 1.00 0.00 C ATOM 1259 CD ARG A 88 -11.268 12.225 2.535 1.00 0.00 C ATOM 1260 NE ARG A 88 -12.382 13.163 2.641 1.00 0.00 N ATOM 1261 CZ ARG A 88 -12.276 14.474 2.411 1.00 0.00 C ATOM 1262 NH1 ARG A 88 -11.097 15.011 2.106 1.00 0.00 N ATOM 1263 NH2 ARG A 88 -13.352 15.249 2.490 1.00 0.00 N ATOM 0 H ARG A 88 -8.202 11.850 4.935 1.00 0.00 H new ATOM 0 HA ARG A 88 -10.120 13.944 4.092 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -10.576 11.503 5.832 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -11.788 12.663 5.328 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -10.321 10.635 3.622 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -12.046 10.768 3.905 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -10.342 12.780 2.383 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -11.409 11.594 1.657 1.00 0.00 H new ATOM 0 HE ARG A 88 -13.295 12.795 2.907 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -10.268 14.420 2.047 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -11.023 16.013 1.931 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -14.257 14.842 2.726 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -13.273 16.251 2.315 1.00 0.00 H new ATOM 1277 N GLU A 89 -8.259 14.083 6.511 1.00 0.00 N ATOM 1278 CA GLU A 89 -7.843 14.747 7.731 1.00 0.00 C ATOM 1279 C GLU A 89 -7.309 16.139 7.391 1.00 0.00 C ATOM 1280 O GLU A 89 -8.000 17.135 7.687 1.00 0.00 O ATOM 1281 CB GLU A 89 -6.770 13.908 8.440 1.00 0.00 C ATOM 1282 CG GLU A 89 -6.285 14.498 9.761 1.00 0.00 C ATOM 1283 CD GLU A 89 -7.367 14.584 10.818 1.00 0.00 C ATOM 1284 OE1 GLU A 89 -7.612 13.572 11.506 1.00 0.00 O ATOM 1285 OE2 GLU A 89 -7.962 15.671 10.983 1.00 0.00 O ATOM 1286 OXT GLU A 89 -6.224 16.232 6.778 1.00 0.00 O ATOM 0 H GLU A 89 -7.486 13.713 5.958 1.00 0.00 H new ATOM 0 HA GLU A 89 -8.694 14.852 8.404 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -7.169 12.911 8.625 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -5.916 13.791 7.772 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -5.464 13.890 10.141 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -5.886 15.496 9.579 1.00 0.00 H new TER 1293 GLU A 89