USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 429 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 41 SER OG : rot 89:sc= 1.13 USER MOD Set 1.2: A 49 TYR OH : rot -157:sc= 2.02 USER MOD Single : A 2 THR OG1 : rot 33:sc= 0.0429 USER MOD Single : A 3 HIS : no HD1:sc= 0.808 K(o=0.81,f=-4.5!) USER MOD Single : A 4 HIS : no HD1:sc= 0.698 K(o=0.7,f=-4.7!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.101 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.11 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 22:sc= 0.926 USER MOD Single : A 24 ASN : amide:sc= -2.1! K(o=-2.1!,f=-0.2) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot -139:sc= 2.16 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.0164 USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 51 SER OG : rot 180:sc= -0.134 USER MOD Single : A 63 THR OG1 : rot -72:sc= 0.375 USER MOD Single : A 67 SER OG : rot 17:sc= 0.166 USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 12.077 6.167 11.736 1.00 0.00 N ATOM 21 CA THR A 2 11.347 6.761 10.622 1.00 0.00 C ATOM 22 C THR A 2 11.026 5.700 9.568 1.00 0.00 C ATOM 23 O THR A 2 10.028 5.799 8.854 1.00 0.00 O ATOM 24 CB THR A 2 12.148 7.924 9.992 1.00 0.00 C ATOM 25 OG1 THR A 2 12.346 8.957 10.967 1.00 0.00 O ATOM 26 CG2 THR A 2 11.433 8.508 8.784 1.00 0.00 C ATOM 0 HA THR A 2 10.411 7.165 11.007 1.00 0.00 H new ATOM 0 HB THR A 2 13.108 7.526 9.662 1.00 0.00 H new ATOM 0 HG1 THR A 2 12.431 8.555 11.857 1.00 0.00 H new ATOM 0 HG21 THR A 2 12.026 9.323 8.369 1.00 0.00 H new ATOM 0 HG22 THR A 2 11.302 7.733 8.029 1.00 0.00 H new ATOM 0 HG23 THR A 2 10.457 8.888 9.087 1.00 0.00 H new ATOM 34 N HIS A 3 11.870 4.679 9.493 1.00 0.00 N ATOM 35 CA HIS A 3 11.637 3.560 8.593 1.00 0.00 C ATOM 36 C HIS A 3 10.972 2.411 9.330 1.00 0.00 C ATOM 37 O HIS A 3 11.452 1.973 10.379 1.00 0.00 O ATOM 38 CB HIS A 3 12.947 3.053 7.985 1.00 0.00 C ATOM 39 CG HIS A 3 13.581 3.987 7.005 1.00 0.00 C ATOM 40 ND1 HIS A 3 14.848 4.497 7.167 1.00 0.00 N ATOM 41 CD2 HIS A 3 13.126 4.486 5.833 1.00 0.00 C ATOM 42 CE1 HIS A 3 15.145 5.269 6.141 1.00 0.00 C ATOM 43 NE2 HIS A 3 14.118 5.281 5.314 1.00 0.00 N ATOM 0 H HIS A 3 12.724 4.604 10.046 1.00 0.00 H new ATOM 0 HA HIS A 3 10.985 3.919 7.796 1.00 0.00 H new ATOM 0 HB2 HIS A 3 13.655 2.858 8.791 1.00 0.00 H new ATOM 0 HB3 HIS A 3 12.758 2.101 7.489 1.00 0.00 H new ATOM 0 HD2 HIS A 3 12.161 4.295 5.388 1.00 0.00 H new ATOM 0 HE1 HIS A 3 16.074 5.802 6.001 1.00 0.00 H new ATOM 0 HE2 HIS A 3 14.069 5.795 4.435 1.00 0.00 H new ATOM 52 N HIS A 4 9.876 1.918 8.784 1.00 0.00 N ATOM 53 CA HIS A 4 9.251 0.721 9.317 1.00 0.00 C ATOM 54 C HIS A 4 9.674 -0.472 8.479 1.00 0.00 C ATOM 55 O HIS A 4 9.393 -0.528 7.285 1.00 0.00 O ATOM 56 CB HIS A 4 7.723 0.849 9.316 1.00 0.00 C ATOM 57 CG HIS A 4 7.014 -0.352 9.860 1.00 0.00 C ATOM 58 ND1 HIS A 4 7.356 -0.964 11.045 1.00 0.00 N ATOM 59 CD2 HIS A 4 5.978 -1.054 9.363 1.00 0.00 C ATOM 60 CE1 HIS A 4 6.559 -1.995 11.250 1.00 0.00 C ATOM 61 NE2 HIS A 4 5.712 -2.074 10.242 1.00 0.00 N ATOM 0 H HIS A 4 9.402 2.324 7.977 1.00 0.00 H new ATOM 0 HA HIS A 4 9.573 0.584 10.349 1.00 0.00 H new ATOM 0 HB2 HIS A 4 7.441 1.723 9.904 1.00 0.00 H new ATOM 0 HB3 HIS A 4 7.384 1.028 8.296 1.00 0.00 H new ATOM 0 HD2 HIS A 4 5.453 -0.852 8.441 1.00 0.00 H new ATOM 0 HE1 HIS A 4 6.594 -2.661 12.099 1.00 0.00 H new ATOM 0 HE2 HIS A 4 4.981 -2.777 10.134 1.00 0.00 H new ATOM 70 N THR A 5 10.358 -1.413 9.099 1.00 0.00 N ATOM 71 CA THR A 5 10.787 -2.607 8.416 1.00 0.00 C ATOM 72 C THR A 5 9.771 -3.722 8.618 1.00 0.00 C ATOM 73 O THR A 5 9.444 -4.072 9.755 1.00 0.00 O ATOM 74 CB THR A 5 12.158 -3.035 8.951 1.00 0.00 C ATOM 75 OG1 THR A 5 12.331 -2.533 10.288 1.00 0.00 O ATOM 76 CG2 THR A 5 13.270 -2.518 8.054 1.00 0.00 C ATOM 0 H THR A 5 10.628 -1.368 10.082 1.00 0.00 H new ATOM 0 HA THR A 5 10.866 -2.402 7.348 1.00 0.00 H new ATOM 0 HB THR A 5 12.206 -4.124 8.962 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.207 -2.808 10.630 1.00 0.00 H new ATOM 0 HG21 THR A 5 14.235 -2.833 8.452 1.00 0.00 H new ATOM 0 HG22 THR A 5 13.143 -2.920 7.049 1.00 0.00 H new ATOM 0 HG23 THR A 5 13.231 -1.429 8.017 1.00 0.00 H new ATOM 84 N GLU A 6 9.256 -4.262 7.520 1.00 0.00 N ATOM 85 CA GLU A 6 8.223 -5.282 7.590 1.00 0.00 C ATOM 86 C GLU A 6 8.157 -6.067 6.281 1.00 0.00 C ATOM 87 O GLU A 6 8.341 -5.500 5.205 1.00 0.00 O ATOM 88 CB GLU A 6 6.874 -4.618 7.884 1.00 0.00 C ATOM 89 CG GLU A 6 5.757 -5.591 8.194 1.00 0.00 C ATOM 90 CD GLU A 6 4.506 -4.880 8.660 1.00 0.00 C ATOM 91 OE1 GLU A 6 4.493 -4.387 9.808 1.00 0.00 O ATOM 92 OE2 GLU A 6 3.537 -4.796 7.884 1.00 0.00 O ATOM 0 H GLU A 6 9.538 -4.009 6.573 1.00 0.00 H new ATOM 0 HA GLU A 6 8.462 -5.981 8.392 1.00 0.00 H new ATOM 0 HB2 GLU A 6 6.993 -3.938 8.728 1.00 0.00 H new ATOM 0 HB3 GLU A 6 6.585 -4.013 7.025 1.00 0.00 H new ATOM 0 HG2 GLU A 6 5.531 -6.180 7.305 1.00 0.00 H new ATOM 0 HG3 GLU A 6 6.086 -6.289 8.963 1.00 0.00 H new ATOM 99 N VAL A 7 7.925 -7.367 6.378 1.00 0.00 N ATOM 100 CA VAL A 7 7.710 -8.199 5.202 1.00 0.00 C ATOM 101 C VAL A 7 6.356 -8.885 5.307 1.00 0.00 C ATOM 102 O VAL A 7 6.118 -9.671 6.223 1.00 0.00 O ATOM 103 CB VAL A 7 8.826 -9.256 5.022 1.00 0.00 C ATOM 104 CG1 VAL A 7 8.458 -10.257 3.934 1.00 0.00 C ATOM 105 CG2 VAL A 7 10.142 -8.583 4.679 1.00 0.00 C ATOM 0 H VAL A 7 7.880 -7.872 7.263 1.00 0.00 H new ATOM 0 HA VAL A 7 7.734 -7.551 4.326 1.00 0.00 H new ATOM 0 HB VAL A 7 8.935 -9.793 5.964 1.00 0.00 H new ATOM 0 HG11 VAL A 7 9.259 -10.989 3.827 1.00 0.00 H new ATOM 0 HG12 VAL A 7 7.534 -10.767 4.206 1.00 0.00 H new ATOM 0 HG13 VAL A 7 8.318 -9.732 2.989 1.00 0.00 H new ATOM 0 HG21 VAL A 7 10.917 -9.340 4.556 1.00 0.00 H new ATOM 0 HG22 VAL A 7 10.033 -8.021 3.751 1.00 0.00 H new ATOM 0 HG23 VAL A 7 10.424 -7.903 5.483 1.00 0.00 H new ATOM 115 N PHE A 8 5.475 -8.577 4.377 1.00 0.00 N ATOM 116 CA PHE A 8 4.120 -9.086 4.418 1.00 0.00 C ATOM 117 C PHE A 8 3.892 -10.086 3.296 1.00 0.00 C ATOM 118 O PHE A 8 3.839 -9.710 2.129 1.00 0.00 O ATOM 119 CB PHE A 8 3.135 -7.924 4.296 1.00 0.00 C ATOM 120 CG PHE A 8 1.718 -8.279 4.642 1.00 0.00 C ATOM 121 CD1 PHE A 8 1.293 -8.281 5.961 1.00 0.00 C ATOM 122 CD2 PHE A 8 0.809 -8.604 3.651 1.00 0.00 C ATOM 123 CE1 PHE A 8 -0.010 -8.597 6.282 1.00 0.00 C ATOM 124 CE2 PHE A 8 -0.495 -8.924 3.968 1.00 0.00 C ATOM 125 CZ PHE A 8 -0.905 -8.920 5.284 1.00 0.00 C ATOM 0 H PHE A 8 5.675 -7.973 3.580 1.00 0.00 H new ATOM 0 HA PHE A 8 3.961 -9.596 5.368 1.00 0.00 H new ATOM 0 HB2 PHE A 8 3.464 -7.114 4.947 1.00 0.00 H new ATOM 0 HB3 PHE A 8 3.163 -7.544 3.275 1.00 0.00 H new ATOM 0 HD1 PHE A 8 1.991 -8.032 6.747 1.00 0.00 H new ATOM 0 HD2 PHE A 8 1.124 -8.607 2.618 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -0.329 -8.592 7.314 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -1.194 -9.178 3.185 1.00 0.00 H new ATOM 0 HZ PHE A 8 -1.926 -9.170 5.533 1.00 0.00 H new ATOM 135 N GLU A 9 3.800 -11.362 3.665 1.00 0.00 N ATOM 136 CA GLU A 9 3.456 -12.443 2.734 1.00 0.00 C ATOM 137 C GLU A 9 4.326 -12.435 1.474 1.00 0.00 C ATOM 138 O GLU A 9 3.883 -12.860 0.406 1.00 0.00 O ATOM 139 CB GLU A 9 1.972 -12.359 2.358 1.00 0.00 C ATOM 140 CG GLU A 9 1.038 -12.469 3.552 1.00 0.00 C ATOM 141 CD GLU A 9 1.330 -13.685 4.404 1.00 0.00 C ATOM 142 OE1 GLU A 9 0.773 -14.767 4.120 1.00 0.00 O ATOM 143 OE2 GLU A 9 2.130 -13.569 5.359 1.00 0.00 O ATOM 0 H GLU A 9 3.962 -11.680 4.621 1.00 0.00 H new ATOM 0 HA GLU A 9 3.651 -13.385 3.247 1.00 0.00 H new ATOM 0 HB2 GLU A 9 1.787 -11.414 1.848 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.739 -13.154 1.650 1.00 0.00 H new ATOM 0 HG2 GLU A 9 1.127 -11.571 4.163 1.00 0.00 H new ATOM 0 HG3 GLU A 9 0.007 -12.514 3.200 1.00 0.00 H new ATOM 150 N GLY A 10 5.566 -11.976 1.610 1.00 0.00 N ATOM 151 CA GLY A 10 6.475 -11.949 0.482 1.00 0.00 C ATOM 152 C GLY A 10 6.958 -10.550 0.147 1.00 0.00 C ATOM 153 O GLY A 10 8.105 -10.364 -0.266 1.00 0.00 O ATOM 0 H GLY A 10 5.957 -11.622 2.483 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.335 -12.583 0.699 1.00 0.00 H new ATOM 0 HA3 GLY A 10 5.978 -12.375 -0.389 1.00 0.00 H new ATOM 157 N GLY A 11 6.098 -9.563 0.353 1.00 0.00 N ATOM 158 CA GLY A 11 6.417 -8.209 -0.056 1.00 0.00 C ATOM 159 C GLY A 11 7.086 -7.407 1.040 1.00 0.00 C ATOM 160 O GLY A 11 6.713 -7.501 2.208 1.00 0.00 O ATOM 0 H GLY A 11 5.186 -9.675 0.796 1.00 0.00 H new ATOM 0 HA2 GLY A 11 7.072 -8.242 -0.927 1.00 0.00 H new ATOM 0 HA3 GLY A 11 5.502 -7.702 -0.364 1.00 0.00 H new ATOM 164 N THR A 12 8.084 -6.621 0.662 1.00 0.00 N ATOM 165 CA THR A 12 8.810 -5.792 1.612 1.00 0.00 C ATOM 166 C THR A 12 8.146 -4.428 1.756 1.00 0.00 C ATOM 167 O THR A 12 7.864 -3.762 0.767 1.00 0.00 O ATOM 168 CB THR A 12 10.276 -5.611 1.172 1.00 0.00 C ATOM 169 OG1 THR A 12 10.830 -6.882 0.807 1.00 0.00 O ATOM 170 CG2 THR A 12 11.109 -4.997 2.288 1.00 0.00 C ATOM 0 H THR A 12 8.410 -6.540 -0.301 1.00 0.00 H new ATOM 0 HA THR A 12 8.791 -6.298 2.577 1.00 0.00 H new ATOM 0 HB THR A 12 10.296 -4.938 0.315 1.00 0.00 H new ATOM 0 HG1 THR A 12 11.761 -6.764 0.526 1.00 0.00 H new ATOM 0 HG21 THR A 12 12.139 -4.880 1.951 1.00 0.00 H new ATOM 0 HG22 THR A 12 10.701 -4.021 2.552 1.00 0.00 H new ATOM 0 HG23 THR A 12 11.085 -5.649 3.161 1.00 0.00 H new ATOM 178 N ILE A 13 7.884 -4.023 2.987 1.00 0.00 N ATOM 179 CA ILE A 13 7.264 -2.737 3.240 1.00 0.00 C ATOM 180 C ILE A 13 8.304 -1.732 3.722 1.00 0.00 C ATOM 181 O ILE A 13 8.975 -1.949 4.733 1.00 0.00 O ATOM 182 CB ILE A 13 6.131 -2.852 4.284 1.00 0.00 C ATOM 183 CG1 ILE A 13 5.068 -3.847 3.800 1.00 0.00 C ATOM 184 CG2 ILE A 13 5.505 -1.489 4.548 1.00 0.00 C ATOM 185 CD1 ILE A 13 3.918 -4.040 4.765 1.00 0.00 C ATOM 0 H ILE A 13 8.091 -4.567 3.825 1.00 0.00 H new ATOM 0 HA ILE A 13 6.832 -2.390 2.301 1.00 0.00 H new ATOM 0 HB ILE A 13 6.555 -3.219 5.219 1.00 0.00 H new ATOM 0 HG12 ILE A 13 4.673 -3.503 2.844 1.00 0.00 H new ATOM 0 HG13 ILE A 13 5.543 -4.811 3.620 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.709 -1.591 5.286 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.266 -0.806 4.927 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.091 -1.093 3.621 1.00 0.00 H new ATOM 0 HD11 ILE A 13 3.211 -4.758 4.349 1.00 0.00 H new ATOM 0 HD12 ILE A 13 4.299 -4.415 5.715 1.00 0.00 H new ATOM 0 HD13 ILE A 13 3.415 -3.087 4.927 1.00 0.00 H new ATOM 197 N ASP A 14 8.444 -0.650 2.974 1.00 0.00 N ATOM 198 CA ASP A 14 9.337 0.439 3.336 1.00 0.00 C ATOM 199 C ASP A 14 8.520 1.685 3.628 1.00 0.00 C ATOM 200 O ASP A 14 7.741 2.139 2.788 1.00 0.00 O ATOM 201 CB ASP A 14 10.337 0.723 2.211 1.00 0.00 C ATOM 202 CG ASP A 14 11.405 -0.344 2.090 1.00 0.00 C ATOM 203 OD1 ASP A 14 12.416 -0.267 2.824 1.00 0.00 O ATOM 204 OD2 ASP A 14 11.242 -1.261 1.260 1.00 0.00 O ATOM 0 H ASP A 14 7.942 -0.502 2.099 1.00 0.00 H new ATOM 0 HA ASP A 14 9.898 0.150 4.225 1.00 0.00 H new ATOM 0 HB2 ASP A 14 9.800 0.802 1.266 1.00 0.00 H new ATOM 0 HB3 ASP A 14 10.812 1.688 2.389 1.00 0.00 H new ATOM 209 N ILE A 15 8.684 2.238 4.810 1.00 0.00 N ATOM 210 CA ILE A 15 7.879 3.374 5.218 1.00 0.00 C ATOM 211 C ILE A 15 8.754 4.548 5.624 1.00 0.00 C ATOM 212 O ILE A 15 9.651 4.407 6.452 1.00 0.00 O ATOM 213 CB ILE A 15 6.929 3.010 6.382 1.00 0.00 C ATOM 214 CG1 ILE A 15 5.950 1.916 5.944 1.00 0.00 C ATOM 215 CG2 ILE A 15 6.173 4.240 6.869 1.00 0.00 C ATOM 216 CD1 ILE A 15 4.968 1.505 7.021 1.00 0.00 C ATOM 0 H ILE A 15 9.363 1.924 5.504 1.00 0.00 H new ATOM 0 HA ILE A 15 7.277 3.661 4.356 1.00 0.00 H new ATOM 0 HB ILE A 15 7.528 2.632 7.210 1.00 0.00 H new ATOM 0 HG12 ILE A 15 5.395 2.266 5.074 1.00 0.00 H new ATOM 0 HG13 ILE A 15 6.517 1.040 5.629 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.511 3.959 7.688 1.00 0.00 H new ATOM 0 HG22 ILE A 15 6.884 4.990 7.217 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.583 4.652 6.050 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.309 0.727 6.635 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.513 1.123 7.884 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.374 2.368 7.320 1.00 0.00 H new ATOM 228 N GLU A 16 8.499 5.695 5.014 1.00 0.00 N ATOM 229 CA GLU A 16 9.161 6.933 5.389 1.00 0.00 C ATOM 230 C GLU A 16 8.192 7.863 6.085 1.00 0.00 C ATOM 231 O GLU A 16 7.312 8.443 5.442 1.00 0.00 O ATOM 232 CB GLU A 16 9.709 7.666 4.178 1.00 0.00 C ATOM 233 CG GLU A 16 10.964 7.058 3.582 1.00 0.00 C ATOM 234 CD GLU A 16 12.224 7.482 4.304 1.00 0.00 C ATOM 235 OE1 GLU A 16 12.130 8.019 5.426 1.00 0.00 O ATOM 236 OE2 GLU A 16 13.323 7.273 3.751 1.00 0.00 O ATOM 0 H GLU A 16 7.831 5.793 4.249 1.00 0.00 H new ATOM 0 HA GLU A 16 9.981 6.659 6.053 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.937 7.697 3.409 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.920 8.698 4.460 1.00 0.00 H new ATOM 0 HG2 GLU A 16 10.884 5.971 3.610 1.00 0.00 H new ATOM 0 HG3 GLU A 16 11.038 7.345 2.533 1.00 0.00 H new ATOM 243 N ASP A 17 8.336 7.978 7.391 1.00 0.00 N ATOM 244 CA ASP A 17 7.600 8.969 8.173 1.00 0.00 C ATOM 245 C ASP A 17 6.080 8.755 8.060 1.00 0.00 C ATOM 246 O ASP A 17 5.293 9.651 8.357 1.00 0.00 O ATOM 247 CB ASP A 17 7.989 10.390 7.724 1.00 0.00 C ATOM 248 CG ASP A 17 7.597 11.467 8.724 1.00 0.00 C ATOM 249 OD1 ASP A 17 8.283 11.602 9.760 1.00 0.00 O ATOM 250 OD2 ASP A 17 6.628 12.211 8.465 1.00 0.00 O ATOM 0 H ASP A 17 8.962 7.393 7.944 1.00 0.00 H new ATOM 0 HA ASP A 17 7.870 8.846 9.222 1.00 0.00 H new ATOM 0 HB2 ASP A 17 9.066 10.430 7.562 1.00 0.00 H new ATOM 0 HB3 ASP A 17 7.514 10.603 6.766 1.00 0.00 H new ATOM 255 N ASP A 18 5.691 7.547 7.635 1.00 0.00 N ATOM 256 CA ASP A 18 4.282 7.170 7.403 1.00 0.00 C ATOM 257 C ASP A 18 3.711 7.796 6.129 1.00 0.00 C ATOM 258 O ASP A 18 3.008 7.131 5.368 1.00 0.00 O ATOM 259 CB ASP A 18 3.389 7.514 8.604 1.00 0.00 C ATOM 260 CG ASP A 18 3.302 6.385 9.609 1.00 0.00 C ATOM 261 OD1 ASP A 18 4.338 5.752 9.896 1.00 0.00 O ATOM 262 OD2 ASP A 18 2.190 6.109 10.110 1.00 0.00 O ATOM 0 H ASP A 18 6.349 6.792 7.439 1.00 0.00 H new ATOM 0 HA ASP A 18 4.283 6.088 7.273 1.00 0.00 H new ATOM 0 HB2 ASP A 18 3.778 8.405 9.097 1.00 0.00 H new ATOM 0 HB3 ASP A 18 2.387 7.757 8.249 1.00 0.00 H new ATOM 267 N THR A 19 4.019 9.064 5.890 1.00 0.00 N ATOM 268 CA THR A 19 3.477 9.788 4.744 1.00 0.00 C ATOM 269 C THR A 19 4.125 9.368 3.421 1.00 0.00 C ATOM 270 O THR A 19 3.605 9.676 2.345 1.00 0.00 O ATOM 271 CB THR A 19 3.633 11.304 4.933 1.00 0.00 C ATOM 272 OG1 THR A 19 4.529 11.571 6.021 1.00 0.00 O ATOM 273 CG2 THR A 19 2.286 11.957 5.198 1.00 0.00 C ATOM 0 H THR A 19 4.644 9.616 6.477 1.00 0.00 H new ATOM 0 HA THR A 19 2.419 9.532 4.692 1.00 0.00 H new ATOM 0 HB THR A 19 4.044 11.725 4.016 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.625 12.540 6.135 1.00 0.00 H new ATOM 0 HG21 THR A 19 2.422 13.031 5.329 1.00 0.00 H new ATOM 0 HG22 THR A 19 1.621 11.775 4.354 1.00 0.00 H new ATOM 0 HG23 THR A 19 1.848 11.534 6.102 1.00 0.00 H new ATOM 281 N SER A 20 5.255 8.685 3.495 1.00 0.00 N ATOM 282 CA SER A 20 5.911 8.175 2.300 1.00 0.00 C ATOM 283 C SER A 20 5.903 6.649 2.326 1.00 0.00 C ATOM 284 O SER A 20 6.754 6.020 2.957 1.00 0.00 O ATOM 285 CB SER A 20 7.346 8.708 2.214 1.00 0.00 C ATOM 286 OG SER A 20 7.896 8.533 0.917 1.00 0.00 O ATOM 0 H SER A 20 5.738 8.470 4.368 1.00 0.00 H new ATOM 0 HA SER A 20 5.369 8.516 1.418 1.00 0.00 H new ATOM 0 HB2 SER A 20 7.357 9.767 2.474 1.00 0.00 H new ATOM 0 HB3 SER A 20 7.969 8.194 2.946 1.00 0.00 H new ATOM 0 HG SER A 20 8.810 8.886 0.899 1.00 0.00 H new ATOM 292 N LEU A 21 4.920 6.056 1.667 1.00 0.00 N ATOM 293 CA LEU A 21 4.763 4.610 1.667 1.00 0.00 C ATOM 294 C LEU A 21 5.343 3.995 0.397 1.00 0.00 C ATOM 295 O LEU A 21 4.941 4.340 -0.717 1.00 0.00 O ATOM 296 CB LEU A 21 3.284 4.241 1.802 1.00 0.00 C ATOM 297 CG LEU A 21 2.978 2.754 1.835 1.00 0.00 C ATOM 298 CD1 LEU A 21 3.623 2.095 3.047 1.00 0.00 C ATOM 299 CD2 LEU A 21 1.476 2.517 1.835 1.00 0.00 C ATOM 0 H LEU A 21 4.216 6.556 1.123 1.00 0.00 H new ATOM 0 HA LEU A 21 5.311 4.209 2.520 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.897 4.693 2.715 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.739 4.687 0.970 1.00 0.00 H new ATOM 0 HG LEU A 21 3.399 2.301 0.937 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.390 1.030 3.049 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.704 2.230 3.002 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.238 2.553 3.958 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.277 1.446 1.859 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.033 2.988 2.713 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.040 2.947 0.933 1.00 0.00 H new ATOM 311 N THR A 22 6.293 3.089 0.575 1.00 0.00 N ATOM 312 CA THR A 22 6.917 2.395 -0.538 1.00 0.00 C ATOM 313 C THR A 22 6.904 0.885 -0.310 1.00 0.00 C ATOM 314 O THR A 22 7.423 0.395 0.686 1.00 0.00 O ATOM 315 CB THR A 22 8.368 2.879 -0.751 1.00 0.00 C ATOM 316 OG1 THR A 22 9.004 3.087 0.515 1.00 0.00 O ATOM 317 CG2 THR A 22 8.405 4.167 -1.560 1.00 0.00 C ATOM 0 H THR A 22 6.650 2.816 1.491 1.00 0.00 H new ATOM 0 HA THR A 22 6.339 2.623 -1.434 1.00 0.00 H new ATOM 0 HB THR A 22 8.903 2.109 -1.307 1.00 0.00 H new ATOM 0 HG1 THR A 22 8.536 2.571 1.205 1.00 0.00 H new ATOM 0 HG21 THR A 22 9.440 4.483 -1.694 1.00 0.00 H new ATOM 0 HG22 THR A 22 7.949 3.997 -2.535 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.853 4.945 -1.032 1.00 0.00 H new ATOM 325 N ILE A 23 6.302 0.146 -1.223 1.00 0.00 N ATOM 326 CA ILE A 23 6.253 -1.301 -1.106 1.00 0.00 C ATOM 327 C ILE A 23 7.252 -1.929 -2.069 1.00 0.00 C ATOM 328 O ILE A 23 7.096 -1.837 -3.289 1.00 0.00 O ATOM 329 CB ILE A 23 4.839 -1.852 -1.381 1.00 0.00 C ATOM 330 CG1 ILE A 23 3.834 -1.268 -0.378 1.00 0.00 C ATOM 331 CG2 ILE A 23 4.841 -3.377 -1.309 1.00 0.00 C ATOM 332 CD1 ILE A 23 2.415 -1.745 -0.596 1.00 0.00 C ATOM 0 H ILE A 23 5.841 0.521 -2.052 1.00 0.00 H new ATOM 0 HA ILE A 23 6.514 -1.562 -0.080 1.00 0.00 H new ATOM 0 HB ILE A 23 4.538 -1.553 -2.385 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.146 -1.532 0.632 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.857 -0.180 -0.444 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.836 -3.752 -1.505 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.529 -3.776 -2.055 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.159 -3.694 -0.316 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.760 -1.292 0.149 1.00 0.00 H new ATOM 0 HD12 ILE A 23 2.084 -1.457 -1.594 1.00 0.00 H new ATOM 0 HD13 ILE A 23 2.377 -2.830 -0.500 1.00 0.00 H new ATOM 344 N ASN A 24 8.293 -2.540 -1.505 1.00 0.00 N ATOM 345 CA ASN A 24 9.390 -3.122 -2.276 1.00 0.00 C ATOM 346 C ASN A 24 9.997 -2.088 -3.227 1.00 0.00 C ATOM 347 O ASN A 24 10.511 -2.423 -4.294 1.00 0.00 O ATOM 348 CB ASN A 24 8.906 -4.358 -3.044 1.00 0.00 C ATOM 349 CG ASN A 24 10.039 -5.292 -3.437 1.00 0.00 C ATOM 350 OD1 ASN A 24 9.947 -6.010 -4.432 1.00 0.00 O ATOM 351 ND2 ASN A 24 11.108 -5.304 -2.653 1.00 0.00 N ATOM 0 H ASN A 24 8.399 -2.646 -0.496 1.00 0.00 H new ATOM 0 HA ASN A 24 10.171 -3.434 -1.582 1.00 0.00 H new ATOM 0 HB2 ASN A 24 8.189 -4.903 -2.430 1.00 0.00 H new ATOM 0 HB3 ASN A 24 8.378 -4.038 -3.942 1.00 0.00 H new ATOM 0 HD21 ASN A 24 11.890 -5.923 -2.867 1.00 0.00 H new ATOM 0 HD22 ASN A 24 11.148 -4.694 -1.836 1.00 0.00 H new ATOM 358 N GLY A 25 9.945 -0.825 -2.816 1.00 0.00 N ATOM 359 CA GLY A 25 10.503 0.248 -3.613 1.00 0.00 C ATOM 360 C GLY A 25 9.442 1.045 -4.346 1.00 0.00 C ATOM 361 O GLY A 25 9.652 2.210 -4.690 1.00 0.00 O ATOM 0 H GLY A 25 9.522 -0.526 -1.937 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.072 0.917 -2.967 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.203 -0.169 -4.337 1.00 0.00 H new ATOM 365 N LYS A 26 8.292 0.426 -4.575 1.00 0.00 N ATOM 366 CA LYS A 26 7.218 1.073 -5.318 1.00 0.00 C ATOM 367 C LYS A 26 6.466 2.044 -4.428 1.00 0.00 C ATOM 368 O LYS A 26 5.922 1.660 -3.396 1.00 0.00 O ATOM 369 CB LYS A 26 6.254 0.030 -5.889 1.00 0.00 C ATOM 370 CG LYS A 26 6.944 -1.030 -6.732 1.00 0.00 C ATOM 371 CD LYS A 26 7.829 -0.396 -7.792 1.00 0.00 C ATOM 372 CE LYS A 26 8.598 -1.440 -8.584 1.00 0.00 C ATOM 373 NZ LYS A 26 9.614 -0.819 -9.473 1.00 0.00 N ATOM 0 H LYS A 26 8.079 -0.520 -4.259 1.00 0.00 H new ATOM 0 HA LYS A 26 7.662 1.627 -6.145 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.727 -0.455 -5.068 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.502 0.534 -6.496 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.545 -1.675 -6.091 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.196 -1.663 -7.209 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.215 0.196 -8.471 1.00 0.00 H new ATOM 0 HD3 LYS A 26 8.531 0.289 -7.317 1.00 0.00 H new ATOM 0 HE2 LYS A 26 9.089 -2.129 -7.897 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.902 -2.028 -9.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 10.118 -1.563 -9.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.143 -0.180 -10.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 10.293 -0.279 -8.900 1.00 0.00 H new ATOM 387 N GLU A 27 6.429 3.300 -4.835 1.00 0.00 N ATOM 388 CA GLU A 27 5.756 4.324 -4.058 1.00 0.00 C ATOM 389 C GLU A 27 4.254 4.255 -4.294 1.00 0.00 C ATOM 390 O GLU A 27 3.791 4.206 -5.434 1.00 0.00 O ATOM 391 CB GLU A 27 6.317 5.706 -4.395 1.00 0.00 C ATOM 392 CG GLU A 27 6.321 6.031 -5.881 1.00 0.00 C ATOM 393 CD GLU A 27 7.239 7.185 -6.213 1.00 0.00 C ATOM 394 OE1 GLU A 27 6.805 8.351 -6.110 1.00 0.00 O ATOM 395 OE2 GLU A 27 8.406 6.927 -6.573 1.00 0.00 O ATOM 0 H GLU A 27 6.857 3.635 -5.698 1.00 0.00 H new ATOM 0 HA GLU A 27 5.938 4.146 -2.998 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.732 6.461 -3.871 1.00 0.00 H new ATOM 0 HB3 GLU A 27 7.337 5.774 -4.017 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.631 5.150 -6.443 1.00 0.00 H new ATOM 0 HG3 GLU A 27 5.307 6.272 -6.201 1.00 0.00 H new ATOM 402 N ILE A 28 3.504 4.229 -3.210 1.00 0.00 N ATOM 403 CA ILE A 28 2.069 4.006 -3.280 1.00 0.00 C ATOM 404 C ILE A 28 1.306 5.322 -3.136 1.00 0.00 C ATOM 405 O ILE A 28 1.754 6.243 -2.451 1.00 0.00 O ATOM 406 CB ILE A 28 1.617 3.020 -2.173 1.00 0.00 C ATOM 407 CG1 ILE A 28 2.497 1.761 -2.180 1.00 0.00 C ATOM 408 CG2 ILE A 28 0.150 2.643 -2.337 1.00 0.00 C ATOM 409 CD1 ILE A 28 2.447 0.980 -3.477 1.00 0.00 C ATOM 0 H ILE A 28 3.864 4.360 -2.265 1.00 0.00 H new ATOM 0 HA ILE A 28 1.846 3.575 -4.256 1.00 0.00 H new ATOM 0 HB ILE A 28 1.731 3.521 -1.212 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.529 2.051 -1.982 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.187 1.109 -1.363 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.138 1.950 -1.546 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -0.465 3.541 -2.275 1.00 0.00 H new ATOM 0 HG23 ILE A 28 0.003 2.168 -3.307 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.095 0.107 -3.401 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.424 0.657 -3.668 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.787 1.613 -4.296 1.00 0.00 H new ATOM 421 N SER A 29 0.164 5.408 -3.805 1.00 0.00 N ATOM 422 CA SER A 29 -0.721 6.553 -3.675 1.00 0.00 C ATOM 423 C SER A 29 -1.778 6.248 -2.622 1.00 0.00 C ATOM 424 O SER A 29 -2.027 5.083 -2.317 1.00 0.00 O ATOM 425 CB SER A 29 -1.374 6.873 -5.023 1.00 0.00 C ATOM 426 OG SER A 29 -2.136 8.070 -4.964 1.00 0.00 O ATOM 0 H SER A 29 -0.171 4.691 -4.448 1.00 0.00 H new ATOM 0 HA SER A 29 -0.148 7.426 -3.363 1.00 0.00 H new ATOM 0 HB2 SER A 29 -0.603 6.969 -5.788 1.00 0.00 H new ATOM 0 HB3 SER A 29 -2.018 6.046 -5.322 1.00 0.00 H new ATOM 0 HG SER A 29 -2.537 8.246 -5.841 1.00 0.00 H new ATOM 432 N TYR A 30 -2.385 7.280 -2.059 1.00 0.00 N ATOM 433 CA TYR A 30 -3.401 7.089 -1.037 1.00 0.00 C ATOM 434 C TYR A 30 -4.591 7.993 -1.304 1.00 0.00 C ATOM 435 O TYR A 30 -4.439 9.086 -1.854 1.00 0.00 O ATOM 436 CB TYR A 30 -2.859 7.387 0.368 1.00 0.00 C ATOM 437 CG TYR A 30 -1.351 7.455 0.472 1.00 0.00 C ATOM 438 CD1 TYR A 30 -0.586 6.303 0.626 1.00 0.00 C ATOM 439 CD2 TYR A 30 -0.692 8.677 0.423 1.00 0.00 C ATOM 440 CE1 TYR A 30 0.789 6.373 0.730 1.00 0.00 C ATOM 441 CE2 TYR A 30 0.681 8.752 0.523 1.00 0.00 C ATOM 442 CZ TYR A 30 1.417 7.599 0.675 1.00 0.00 C ATOM 443 OH TYR A 30 2.787 7.678 0.781 1.00 0.00 O ATOM 0 H TYR A 30 -2.193 8.255 -2.291 1.00 0.00 H new ATOM 0 HA TYR A 30 -3.705 6.043 -1.078 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -3.274 8.336 0.707 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -3.221 6.618 1.051 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -1.075 5.341 0.665 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.265 9.584 0.304 1.00 0.00 H new ATOM 0 HE1 TYR A 30 1.370 5.471 0.854 1.00 0.00 H new ATOM 0 HE2 TYR A 30 1.177 9.711 0.482 1.00 0.00 H new ATOM 0 HH TYR A 30 3.028 8.447 1.339 1.00 0.00 H new ATOM 618 N SER A 41 -5.668 4.319 -4.103 1.00 0.00 N ATOM 619 CA SER A 41 -4.299 3.943 -3.840 1.00 0.00 C ATOM 620 C SER A 41 -3.573 3.513 -5.115 1.00 0.00 C ATOM 621 O SER A 41 -2.392 3.158 -5.072 1.00 0.00 O ATOM 622 CB SER A 41 -4.305 2.816 -2.824 1.00 0.00 C ATOM 623 OG SER A 41 -5.152 3.138 -1.734 1.00 0.00 O ATOM 0 HA SER A 41 -3.760 4.806 -3.449 1.00 0.00 H new ATOM 0 HB2 SER A 41 -4.644 1.894 -3.296 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.292 2.636 -2.465 1.00 0.00 H new ATOM 0 HG SER A 41 -6.064 2.835 -1.928 1.00 0.00 H new ATOM 629 N ARG A 42 -4.293 3.546 -6.243 1.00 0.00 N ATOM 630 CA ARG A 42 -3.755 3.161 -7.556 1.00 0.00 C ATOM 631 C ARG A 42 -3.527 1.650 -7.651 1.00 0.00 C ATOM 632 O ARG A 42 -4.051 0.996 -8.550 1.00 0.00 O ATOM 633 CB ARG A 42 -2.457 3.920 -7.872 1.00 0.00 C ATOM 634 CG ARG A 42 -1.772 3.451 -9.146 1.00 0.00 C ATOM 635 CD ARG A 42 -0.496 4.234 -9.429 1.00 0.00 C ATOM 636 NE ARG A 42 0.269 3.638 -10.522 1.00 0.00 N ATOM 637 CZ ARG A 42 1.270 4.244 -11.161 1.00 0.00 C ATOM 638 NH1 ARG A 42 1.621 5.485 -10.844 1.00 0.00 N ATOM 639 NH2 ARG A 42 1.911 3.605 -12.129 1.00 0.00 N ATOM 0 H ARG A 42 -5.269 3.841 -6.272 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.502 3.436 -8.300 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.680 4.983 -7.960 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -1.767 3.807 -7.036 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -1.535 2.390 -9.061 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -2.457 3.558 -9.987 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -0.749 5.264 -9.680 1.00 0.00 H new ATOM 0 HD3 ARG A 42 0.119 4.267 -8.529 1.00 0.00 H new ATOM 0 HE ARG A 42 0.020 2.694 -10.816 1.00 0.00 H new ATOM 0 HH11 ARG A 42 1.123 5.983 -10.106 1.00 0.00 H new ATOM 0 HH12 ARG A 42 2.388 5.940 -11.339 1.00 0.00 H new ATOM 0 HH21 ARG A 42 1.638 2.655 -12.381 1.00 0.00 H new ATOM 0 HH22 ARG A 42 2.678 4.063 -12.622 1.00 0.00 H new ATOM 653 N TYR A 43 -2.758 1.101 -6.720 1.00 0.00 N ATOM 654 CA TYR A 43 -2.439 -0.324 -6.727 1.00 0.00 C ATOM 655 C TYR A 43 -3.535 -1.132 -6.047 1.00 0.00 C ATOM 656 O TYR A 43 -3.498 -2.362 -6.032 1.00 0.00 O ATOM 657 CB TYR A 43 -1.098 -0.571 -6.036 1.00 0.00 C ATOM 658 CG TYR A 43 0.071 0.061 -6.757 1.00 0.00 C ATOM 659 CD1 TYR A 43 0.731 -0.617 -7.771 1.00 0.00 C ATOM 660 CD2 TYR A 43 0.510 1.337 -6.425 1.00 0.00 C ATOM 661 CE1 TYR A 43 1.796 -0.044 -8.435 1.00 0.00 C ATOM 662 CE2 TYR A 43 1.575 1.917 -7.084 1.00 0.00 C ATOM 663 CZ TYR A 43 2.214 1.223 -8.090 1.00 0.00 C ATOM 664 OH TYR A 43 3.272 1.797 -8.754 1.00 0.00 O ATOM 0 H TYR A 43 -2.342 1.621 -5.948 1.00 0.00 H new ATOM 0 HA TYR A 43 -2.369 -0.649 -7.765 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.143 -0.180 -5.019 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -0.930 -1.645 -5.957 1.00 0.00 H new ATOM 0 HD1 TYR A 43 0.406 -1.610 -8.045 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.010 1.883 -5.639 1.00 0.00 H new ATOM 0 HE1 TYR A 43 2.300 -0.586 -9.222 1.00 0.00 H new ATOM 0 HE2 TYR A 43 1.906 2.909 -6.813 1.00 0.00 H new ATOM 0 HH TYR A 43 3.439 2.692 -8.391 1.00 0.00 H new ATOM 674 N LEU A 44 -4.507 -0.431 -5.489 1.00 0.00 N ATOM 675 CA LEU A 44 -5.643 -1.073 -4.853 1.00 0.00 C ATOM 676 C LEU A 44 -6.915 -0.322 -5.240 1.00 0.00 C ATOM 677 O LEU A 44 -6.881 0.900 -5.413 1.00 0.00 O ATOM 678 CB LEU A 44 -5.457 -1.086 -3.330 1.00 0.00 C ATOM 679 CG LEU A 44 -6.239 -2.169 -2.580 1.00 0.00 C ATOM 680 CD1 LEU A 44 -5.798 -3.557 -3.031 1.00 0.00 C ATOM 681 CD2 LEU A 44 -6.046 -2.019 -1.080 1.00 0.00 C ATOM 0 H LEU A 44 -4.531 0.588 -5.464 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.722 -2.107 -5.189 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.396 -1.211 -3.112 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.750 -0.113 -2.937 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.298 -2.049 -2.810 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.364 -4.313 -2.487 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.979 -3.667 -4.100 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.735 -3.685 -2.828 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.608 -2.796 -0.561 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.987 -2.114 -0.838 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.404 -1.039 -0.763 1.00 0.00 H new ATOM 693 N PRO A 45 -8.036 -1.043 -5.427 1.00 0.00 N ATOM 694 CA PRO A 45 -9.322 -0.447 -5.822 1.00 0.00 C ATOM 695 C PRO A 45 -9.894 0.529 -4.788 1.00 0.00 C ATOM 696 O PRO A 45 -9.235 0.899 -3.815 1.00 0.00 O ATOM 697 CB PRO A 45 -10.256 -1.657 -5.967 1.00 0.00 C ATOM 698 CG PRO A 45 -9.352 -2.829 -6.118 1.00 0.00 C ATOM 699 CD PRO A 45 -8.133 -2.506 -5.309 1.00 0.00 C ATOM 0 HA PRO A 45 -9.207 0.147 -6.729 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -10.899 -1.765 -5.094 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -10.909 -1.549 -6.833 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -9.830 -3.741 -5.760 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -9.095 -2.994 -7.165 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -8.242 -2.821 -4.271 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -7.245 -3.002 -5.701 1.00 0.00 H new ATOM 707 N TYR A 46 -11.144 0.917 -5.007 1.00 0.00 N ATOM 708 CA TYR A 46 -11.822 1.905 -4.170 1.00 0.00 C ATOM 709 C TYR A 46 -12.385 1.274 -2.896 1.00 0.00 C ATOM 710 O TYR A 46 -13.257 1.854 -2.245 1.00 0.00 O ATOM 711 CB TYR A 46 -12.967 2.549 -4.964 1.00 0.00 C ATOM 712 CG TYR A 46 -14.021 1.555 -5.415 1.00 0.00 C ATOM 713 CD1 TYR A 46 -13.813 0.759 -6.532 1.00 0.00 C ATOM 714 CD2 TYR A 46 -15.213 1.401 -4.713 1.00 0.00 C ATOM 715 CE1 TYR A 46 -14.759 -0.158 -6.939 1.00 0.00 C ATOM 716 CE2 TYR A 46 -16.163 0.480 -5.116 1.00 0.00 C ATOM 717 CZ TYR A 46 -15.930 -0.296 -6.229 1.00 0.00 C ATOM 718 OH TYR A 46 -16.867 -1.217 -6.634 1.00 0.00 O ATOM 0 H TYR A 46 -11.718 0.557 -5.769 1.00 0.00 H new ATOM 0 HA TYR A 46 -11.090 2.659 -3.881 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -13.440 3.315 -4.349 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -12.555 3.052 -5.839 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -12.895 0.859 -7.092 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -15.399 2.010 -3.841 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -14.581 -0.767 -7.813 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -17.083 0.370 -4.560 1.00 0.00 H new ATOM 0 HH TYR A 46 -17.635 -1.191 -6.026 1.00 0.00 H new ATOM 728 N THR A 47 -11.882 0.098 -2.541 1.00 0.00 N ATOM 729 CA THR A 47 -12.388 -0.635 -1.393 1.00 0.00 C ATOM 730 C THR A 47 -12.115 0.112 -0.087 1.00 0.00 C ATOM 731 O THR A 47 -11.234 0.970 -0.020 1.00 0.00 O ATOM 732 CB THR A 47 -11.786 -2.052 -1.343 1.00 0.00 C ATOM 733 OG1 THR A 47 -10.379 -2.005 -1.618 1.00 0.00 O ATOM 734 CG2 THR A 47 -12.471 -2.954 -2.356 1.00 0.00 C ATOM 0 H THR A 47 -11.121 -0.368 -3.035 1.00 0.00 H new ATOM 0 HA THR A 47 -13.469 -0.721 -1.507 1.00 0.00 H new ATOM 0 HB THR A 47 -11.942 -2.455 -0.343 1.00 0.00 H new ATOM 0 HG1 THR A 47 -10.008 -2.911 -1.582 1.00 0.00 H new ATOM 0 HG21 THR A 47 -12.035 -3.952 -2.309 1.00 0.00 H new ATOM 0 HG22 THR A 47 -13.536 -3.013 -2.130 1.00 0.00 H new ATOM 0 HG23 THR A 47 -12.335 -2.546 -3.357 1.00 0.00 H new ATOM 742 N GLN A 48 -12.891 -0.204 0.939 1.00 0.00 N ATOM 743 CA GLN A 48 -12.821 0.518 2.199 1.00 0.00 C ATOM 744 C GLN A 48 -11.581 0.150 3.015 1.00 0.00 C ATOM 745 O GLN A 48 -11.501 -0.927 3.609 1.00 0.00 O ATOM 746 CB GLN A 48 -14.087 0.274 3.025 1.00 0.00 C ATOM 747 CG GLN A 48 -14.053 0.931 4.396 1.00 0.00 C ATOM 748 CD GLN A 48 -15.355 0.768 5.155 1.00 0.00 C ATOM 749 OE1 GLN A 48 -16.431 0.722 4.561 1.00 0.00 O ATOM 750 NE2 GLN A 48 -15.268 0.676 6.473 1.00 0.00 N ATOM 0 H GLN A 48 -13.578 -0.958 0.923 1.00 0.00 H new ATOM 0 HA GLN A 48 -12.745 1.578 1.955 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -14.949 0.648 2.473 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -14.229 -0.800 3.149 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -13.240 0.501 4.981 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -13.835 1.993 4.280 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -14.356 0.719 6.928 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -16.113 0.562 7.033 1.00 0.00 H new ATOM 759 N TYR A 49 -10.612 1.053 3.017 1.00 0.00 N ATOM 760 CA TYR A 49 -9.494 0.986 3.947 1.00 0.00 C ATOM 761 C TYR A 49 -9.424 2.275 4.752 1.00 0.00 C ATOM 762 O TYR A 49 -10.132 3.239 4.445 1.00 0.00 O ATOM 763 CB TYR A 49 -8.162 0.716 3.237 1.00 0.00 C ATOM 764 CG TYR A 49 -8.089 1.213 1.811 1.00 0.00 C ATOM 765 CD1 TYR A 49 -7.940 2.563 1.521 1.00 0.00 C ATOM 766 CD2 TYR A 49 -8.153 0.318 0.751 1.00 0.00 C ATOM 767 CE1 TYR A 49 -7.860 3.004 0.213 1.00 0.00 C ATOM 768 CE2 TYR A 49 -8.068 0.751 -0.557 1.00 0.00 C ATOM 769 CZ TYR A 49 -7.921 2.093 -0.822 1.00 0.00 C ATOM 770 OH TYR A 49 -7.825 2.526 -2.128 1.00 0.00 O ATOM 0 H TYR A 49 -10.578 1.848 2.379 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.666 0.145 4.619 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -7.360 1.182 3.810 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -7.975 -0.358 3.242 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -7.886 3.278 2.328 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -8.271 -0.736 0.954 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -7.750 4.057 0.002 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -8.117 0.040 -1.368 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.238 1.865 -2.723 1.00 0.00 H new ATOM 780 N ASP A 50 -8.585 2.301 5.775 1.00 0.00 N ATOM 781 CA ASP A 50 -8.576 3.426 6.704 1.00 0.00 C ATOM 782 C ASP A 50 -7.181 4.015 6.883 1.00 0.00 C ATOM 783 O ASP A 50 -6.976 5.216 6.706 1.00 0.00 O ATOM 784 CB ASP A 50 -9.127 2.983 8.060 1.00 0.00 C ATOM 785 CG ASP A 50 -9.248 4.126 9.044 1.00 0.00 C ATOM 786 OD1 ASP A 50 -10.307 4.790 9.058 1.00 0.00 O ATOM 787 OD2 ASP A 50 -8.299 4.352 9.823 1.00 0.00 O ATOM 0 H ASP A 50 -7.908 1.567 5.984 1.00 0.00 H new ATOM 0 HA ASP A 50 -9.209 4.205 6.280 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.107 2.527 7.918 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -8.476 2.216 8.479 1.00 0.00 H new ATOM 792 N SER A 51 -6.220 3.169 7.214 1.00 0.00 N ATOM 793 CA SER A 51 -4.897 3.644 7.591 1.00 0.00 C ATOM 794 C SER A 51 -3.850 3.251 6.555 1.00 0.00 C ATOM 795 O SER A 51 -4.088 2.378 5.724 1.00 0.00 O ATOM 796 CB SER A 51 -4.527 3.096 8.972 1.00 0.00 C ATOM 797 OG SER A 51 -4.693 1.689 9.026 1.00 0.00 O ATOM 0 H SER A 51 -6.329 2.155 7.230 1.00 0.00 H new ATOM 0 HA SER A 51 -4.919 4.733 7.633 1.00 0.00 H new ATOM 0 HB2 SER A 51 -3.493 3.352 9.203 1.00 0.00 H new ATOM 0 HB3 SER A 51 -5.149 3.568 9.732 1.00 0.00 H new ATOM 0 HG SER A 51 -4.448 1.365 9.918 1.00 0.00 H new ATOM 803 N LEU A 52 -2.689 3.897 6.619 1.00 0.00 N ATOM 804 CA LEU A 52 -1.613 3.654 5.661 1.00 0.00 C ATOM 805 C LEU A 52 -1.024 2.258 5.849 1.00 0.00 C ATOM 806 O LEU A 52 -0.731 1.564 4.877 1.00 0.00 O ATOM 807 CB LEU A 52 -0.501 4.709 5.801 1.00 0.00 C ATOM 808 CG LEU A 52 -0.878 6.151 5.429 1.00 0.00 C ATOM 809 CD1 LEU A 52 -1.589 6.190 4.088 1.00 0.00 C ATOM 810 CD2 LEU A 52 -1.732 6.798 6.511 1.00 0.00 C ATOM 0 H LEU A 52 -2.468 4.596 7.328 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.040 3.726 4.661 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.152 4.703 6.834 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.340 4.404 5.178 1.00 0.00 H new ATOM 0 HG LEU A 52 0.045 6.726 5.347 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.847 7.220 3.843 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.933 5.787 3.316 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.498 5.591 4.141 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.981 7.817 6.217 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.649 6.224 6.643 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.178 6.817 7.449 1.00 0.00 H new ATOM 822 N LEU A 53 -0.863 1.853 7.105 1.00 0.00 N ATOM 823 CA LEU A 53 -0.319 0.538 7.429 1.00 0.00 C ATOM 824 C LEU A 53 -1.262 -0.553 6.913 1.00 0.00 C ATOM 825 O LEU A 53 -0.833 -1.517 6.273 1.00 0.00 O ATOM 826 CB LEU A 53 -0.112 0.436 8.952 1.00 0.00 C ATOM 827 CG LEU A 53 0.693 -0.770 9.466 1.00 0.00 C ATOM 828 CD1 LEU A 53 -0.162 -2.025 9.509 1.00 0.00 C ATOM 829 CD2 LEU A 53 1.926 -1.000 8.606 1.00 0.00 C ATOM 0 H LEU A 53 -1.103 2.419 7.919 1.00 0.00 H new ATOM 0 HA LEU A 53 0.647 0.400 6.943 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.387 1.345 9.288 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.093 0.416 9.427 1.00 0.00 H new ATOM 0 HG LEU A 53 1.014 -0.544 10.483 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.435 -2.860 9.876 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.010 -1.865 10.175 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.525 -2.252 8.507 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.481 -1.857 8.987 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.621 -1.193 7.577 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.561 -0.115 8.636 1.00 0.00 H new ATOM 841 N ASP A 54 -2.548 -0.370 7.183 1.00 0.00 N ATOM 842 CA ASP A 54 -3.584 -1.283 6.706 1.00 0.00 C ATOM 843 C ASP A 54 -3.603 -1.322 5.183 1.00 0.00 C ATOM 844 O ASP A 54 -3.639 -2.392 4.582 1.00 0.00 O ATOM 845 CB ASP A 54 -4.944 -0.838 7.245 1.00 0.00 C ATOM 846 CG ASP A 54 -6.118 -1.550 6.602 1.00 0.00 C ATOM 847 OD1 ASP A 54 -6.376 -2.723 6.950 1.00 0.00 O ATOM 848 OD2 ASP A 54 -6.813 -0.921 5.775 1.00 0.00 O ATOM 0 H ASP A 54 -2.903 0.410 7.736 1.00 0.00 H new ATOM 0 HA ASP A 54 -3.366 -2.288 7.068 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -4.972 -1.009 8.321 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -5.053 0.235 7.090 1.00 0.00 H new ATOM 853 N LEU A 55 -3.550 -0.141 4.576 1.00 0.00 N ATOM 854 CA LEU A 55 -3.540 -0.003 3.123 1.00 0.00 C ATOM 855 C LEU A 55 -2.375 -0.782 2.509 1.00 0.00 C ATOM 856 O LEU A 55 -2.560 -1.546 1.557 1.00 0.00 O ATOM 857 CB LEU A 55 -3.465 1.493 2.758 1.00 0.00 C ATOM 858 CG LEU A 55 -3.557 1.858 1.268 1.00 0.00 C ATOM 859 CD1 LEU A 55 -2.192 1.787 0.601 1.00 0.00 C ATOM 860 CD2 LEU A 55 -4.547 0.951 0.554 1.00 0.00 C ATOM 0 H LEU A 55 -3.513 0.747 5.076 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.459 -0.423 2.714 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.269 2.009 3.283 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.526 1.889 3.145 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.914 2.885 1.196 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.288 2.050 -0.452 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.512 2.485 1.089 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -1.797 0.775 0.688 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.598 1.226 -0.500 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.221 -0.085 0.644 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.533 1.062 1.006 1.00 0.00 H new ATOM 872 N ALA A 56 -1.183 -0.596 3.067 1.00 0.00 N ATOM 873 CA ALA A 56 0.012 -1.276 2.571 1.00 0.00 C ATOM 874 C ALA A 56 -0.160 -2.791 2.586 1.00 0.00 C ATOM 875 O ALA A 56 0.087 -3.464 1.582 1.00 0.00 O ATOM 876 CB ALA A 56 1.227 -0.882 3.395 1.00 0.00 C ATOM 0 H ALA A 56 -1.017 0.020 3.863 1.00 0.00 H new ATOM 0 HA ALA A 56 0.164 -0.964 1.538 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.108 -1.397 3.013 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.378 0.195 3.328 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.067 -1.161 4.436 1.00 0.00 H new ATOM 882 N ARG A 57 -0.600 -3.321 3.721 1.00 0.00 N ATOM 883 CA ARG A 57 -0.787 -4.757 3.867 1.00 0.00 C ATOM 884 C ARG A 57 -1.930 -5.249 2.990 1.00 0.00 C ATOM 885 O ARG A 57 -1.847 -6.325 2.406 1.00 0.00 O ATOM 886 CB ARG A 57 -1.050 -5.121 5.330 1.00 0.00 C ATOM 887 CG ARG A 57 0.144 -4.887 6.244 1.00 0.00 C ATOM 888 CD ARG A 57 -0.200 -5.203 7.690 1.00 0.00 C ATOM 889 NE ARG A 57 0.979 -5.196 8.560 1.00 0.00 N ATOM 890 CZ ARG A 57 0.964 -5.573 9.839 1.00 0.00 C ATOM 891 NH1 ARG A 57 -0.160 -5.999 10.401 1.00 0.00 N ATOM 892 NH2 ARG A 57 2.071 -5.517 10.565 1.00 0.00 N ATOM 0 H ARG A 57 -0.833 -2.778 4.552 1.00 0.00 H new ATOM 0 HA ARG A 57 0.131 -5.249 3.544 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -1.895 -4.536 5.694 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -1.340 -6.170 5.387 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.979 -5.509 5.922 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.469 -3.850 6.163 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -0.923 -4.474 8.056 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -0.680 -6.180 7.741 1.00 0.00 H new ATOM 0 HE ARG A 57 1.865 -4.884 8.163 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -1.020 -6.040 9.854 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -0.164 -6.286 11.380 1.00 0.00 H new ATOM 0 HH21 ARG A 57 2.939 -5.184 10.146 1.00 0.00 H new ATOM 0 HH22 ARG A 57 2.055 -5.806 11.543 1.00 0.00 H new ATOM 906 N ALA A 58 -2.984 -4.450 2.888 1.00 0.00 N ATOM 907 CA ALA A 58 -4.145 -4.813 2.089 1.00 0.00 C ATOM 908 C ALA A 58 -3.767 -4.999 0.624 1.00 0.00 C ATOM 909 O ALA A 58 -4.245 -5.925 -0.029 1.00 0.00 O ATOM 910 CB ALA A 58 -5.239 -3.765 2.227 1.00 0.00 C ATOM 0 H ALA A 58 -3.058 -3.544 3.350 1.00 0.00 H new ATOM 0 HA ALA A 58 -4.525 -5.764 2.463 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -6.098 -4.054 1.622 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -5.540 -3.688 3.272 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.864 -2.800 1.886 1.00 0.00 H new ATOM 916 N ILE A 59 -2.900 -4.129 0.116 1.00 0.00 N ATOM 917 CA ILE A 59 -2.444 -4.234 -1.262 1.00 0.00 C ATOM 918 C ILE A 59 -1.684 -5.536 -1.478 1.00 0.00 C ATOM 919 O ILE A 59 -1.984 -6.291 -2.400 1.00 0.00 O ATOM 920 CB ILE A 59 -1.546 -3.045 -1.665 1.00 0.00 C ATOM 921 CG1 ILE A 59 -2.339 -1.737 -1.602 1.00 0.00 C ATOM 922 CG2 ILE A 59 -0.977 -3.255 -3.063 1.00 0.00 C ATOM 923 CD1 ILE A 59 -1.548 -0.524 -2.049 1.00 0.00 C ATOM 0 H ILE A 59 -2.502 -3.347 0.636 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.333 -4.220 -1.892 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.716 -2.984 -0.962 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.228 -1.831 -2.226 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.683 -1.579 -0.580 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -0.347 -2.407 -3.330 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.383 -4.169 -3.081 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -1.794 -3.340 -3.779 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -2.174 0.365 -1.977 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.673 -0.404 -1.410 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.227 -0.659 -3.082 1.00 0.00 H new ATOM 935 N ILE A 60 -0.727 -5.814 -0.604 1.00 0.00 N ATOM 936 CA ILE A 60 0.082 -7.018 -0.728 1.00 0.00 C ATOM 937 C ILE A 60 -0.776 -8.268 -0.548 1.00 0.00 C ATOM 938 O ILE A 60 -0.607 -9.262 -1.248 1.00 0.00 O ATOM 939 CB ILE A 60 1.238 -7.034 0.293 1.00 0.00 C ATOM 940 CG1 ILE A 60 2.105 -5.788 0.124 1.00 0.00 C ATOM 941 CG2 ILE A 60 2.076 -8.292 0.124 1.00 0.00 C ATOM 942 CD1 ILE A 60 3.190 -5.658 1.171 1.00 0.00 C ATOM 0 H ILE A 60 -0.492 -5.225 0.195 1.00 0.00 H new ATOM 0 HA ILE A 60 0.509 -7.016 -1.731 1.00 0.00 H new ATOM 0 HB ILE A 60 0.818 -7.033 1.299 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.565 -5.807 -0.864 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.468 -4.904 0.162 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.888 -8.289 0.851 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.450 -9.170 0.283 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.492 -8.320 -0.883 1.00 0.00 H new ATOM 0 HD11 ILE A 60 3.765 -4.751 0.988 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.736 -5.606 2.161 1.00 0.00 H new ATOM 0 HD13 ILE A 60 3.851 -6.523 1.119 1.00 0.00 H new ATOM 954 N ARG A 61 -1.703 -8.189 0.393 1.00 0.00 N ATOM 955 CA ARG A 61 -2.563 -9.311 0.734 1.00 0.00 C ATOM 956 C ARG A 61 -3.511 -9.665 -0.410 1.00 0.00 C ATOM 957 O ARG A 61 -3.899 -10.821 -0.561 1.00 0.00 O ATOM 958 CB ARG A 61 -3.387 -8.966 1.978 1.00 0.00 C ATOM 959 CG ARG A 61 -4.051 -10.163 2.635 1.00 0.00 C ATOM 960 CD ARG A 61 -4.906 -9.731 3.813 1.00 0.00 C ATOM 961 NE ARG A 61 -5.483 -10.868 4.527 1.00 0.00 N ATOM 962 CZ ARG A 61 -6.647 -10.825 5.177 1.00 0.00 C ATOM 963 NH1 ARG A 61 -7.411 -9.739 5.104 1.00 0.00 N ATOM 964 NH2 ARG A 61 -7.054 -11.881 5.867 1.00 0.00 N ATOM 0 H ARG A 61 -1.880 -7.347 0.941 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.924 -10.173 0.927 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.739 -8.479 2.706 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -4.156 -8.244 1.702 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.668 -10.687 1.905 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.290 -10.866 2.972 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.300 -9.142 4.502 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.708 -9.083 3.459 1.00 0.00 H new ATOM 0 HE ARG A 61 -4.965 -11.747 4.528 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -7.107 -8.938 4.551 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -8.301 -9.707 5.601 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -6.478 -12.722 5.899 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -7.943 -11.853 6.366 1.00 0.00 H new ATOM 978 N ASP A 62 -3.892 -8.677 -1.208 1.00 0.00 N ATOM 979 CA ASP A 62 -4.932 -8.884 -2.214 1.00 0.00 C ATOM 980 C ASP A 62 -4.356 -9.095 -3.612 1.00 0.00 C ATOM 981 O ASP A 62 -5.006 -9.677 -4.484 1.00 0.00 O ATOM 982 CB ASP A 62 -5.906 -7.703 -2.211 1.00 0.00 C ATOM 983 CG ASP A 62 -7.224 -8.031 -2.884 1.00 0.00 C ATOM 984 OD1 ASP A 62 -8.010 -8.813 -2.302 1.00 0.00 O ATOM 985 OD2 ASP A 62 -7.494 -7.498 -3.977 1.00 0.00 O ATOM 0 H ASP A 62 -3.504 -7.734 -1.182 1.00 0.00 H new ATOM 0 HA ASP A 62 -5.465 -9.797 -1.948 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.094 -7.395 -1.182 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.445 -6.855 -2.718 1.00 0.00 H new ATOM 990 N THR A 63 -3.131 -8.653 -3.818 1.00 0.00 N ATOM 991 CA THR A 63 -2.502 -8.750 -5.130 1.00 0.00 C ATOM 992 C THR A 63 -1.494 -9.894 -5.173 1.00 0.00 C ATOM 993 O THR A 63 -0.973 -10.318 -4.141 1.00 0.00 O ATOM 994 CB THR A 63 -1.794 -7.436 -5.520 1.00 0.00 C ATOM 995 OG1 THR A 63 -0.774 -7.126 -4.564 1.00 0.00 O ATOM 996 CG2 THR A 63 -2.788 -6.285 -5.607 1.00 0.00 C ATOM 0 H THR A 63 -2.549 -8.224 -3.099 1.00 0.00 H new ATOM 0 HA THR A 63 -3.300 -8.945 -5.847 1.00 0.00 H new ATOM 0 HB THR A 63 -1.340 -7.573 -6.502 1.00 0.00 H new ATOM 0 HG1 THR A 63 -1.189 -6.837 -3.725 1.00 0.00 H new ATOM 0 HG21 THR A 63 -2.263 -5.371 -5.883 1.00 0.00 H new ATOM 0 HG22 THR A 63 -3.542 -6.512 -6.360 1.00 0.00 H new ATOM 0 HG23 THR A 63 -3.271 -6.147 -4.640 1.00 0.00 H new ATOM 1004 N VAL A 64 -1.219 -10.395 -6.370 1.00 0.00 N ATOM 1005 CA VAL A 64 -0.258 -11.471 -6.539 1.00 0.00 C ATOM 1006 C VAL A 64 1.146 -10.922 -6.780 1.00 0.00 C ATOM 1007 O VAL A 64 2.136 -11.535 -6.382 1.00 0.00 O ATOM 1008 CB VAL A 64 -0.649 -12.416 -7.696 1.00 0.00 C ATOM 1009 CG1 VAL A 64 -1.913 -13.189 -7.352 1.00 0.00 C ATOM 1010 CG2 VAL A 64 -0.836 -11.645 -8.997 1.00 0.00 C ATOM 0 H VAL A 64 -1.649 -10.072 -7.237 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.264 -12.044 -5.612 1.00 0.00 H new ATOM 0 HB VAL A 64 0.166 -13.126 -7.838 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -2.172 -13.849 -8.180 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -1.743 -13.783 -6.454 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -2.730 -12.490 -7.176 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -1.111 -12.337 -9.793 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -1.626 -10.905 -8.871 1.00 0.00 H new ATOM 0 HG23 VAL A 64 0.095 -11.142 -9.259 1.00 0.00 H new ATOM 1020 N GLU A 65 1.223 -9.752 -7.407 1.00 0.00 N ATOM 1021 CA GLU A 65 2.509 -9.162 -7.757 1.00 0.00 C ATOM 1022 C GLU A 65 3.267 -8.690 -6.520 1.00 0.00 C ATOM 1023 O GLU A 65 4.493 -8.774 -6.469 1.00 0.00 O ATOM 1024 CB GLU A 65 2.324 -7.999 -8.731 1.00 0.00 C ATOM 1025 CG GLU A 65 1.834 -8.425 -10.104 1.00 0.00 C ATOM 1026 CD GLU A 65 1.813 -7.279 -11.092 1.00 0.00 C ATOM 1027 OE1 GLU A 65 2.905 -6.846 -11.527 1.00 0.00 O ATOM 1028 OE2 GLU A 65 0.707 -6.818 -11.449 1.00 0.00 O ATOM 0 H GLU A 65 0.413 -9.196 -7.682 1.00 0.00 H new ATOM 0 HA GLU A 65 3.101 -9.940 -8.240 1.00 0.00 H new ATOM 0 HB2 GLU A 65 1.614 -7.290 -8.306 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.273 -7.474 -8.840 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.477 -9.218 -10.486 1.00 0.00 H new ATOM 0 HG3 GLU A 65 0.831 -8.843 -10.015 1.00 0.00 H new ATOM 1035 N PHE A 66 2.542 -8.195 -5.525 1.00 0.00 N ATOM 1036 CA PHE A 66 3.174 -7.709 -4.305 1.00 0.00 C ATOM 1037 C PHE A 66 3.391 -8.842 -3.309 1.00 0.00 C ATOM 1038 O PHE A 66 4.241 -8.741 -2.427 1.00 0.00 O ATOM 1039 CB PHE A 66 2.352 -6.579 -3.684 1.00 0.00 C ATOM 1040 CG PHE A 66 2.426 -5.301 -4.472 1.00 0.00 C ATOM 1041 CD1 PHE A 66 3.515 -4.457 -4.332 1.00 0.00 C ATOM 1042 CD2 PHE A 66 1.417 -4.946 -5.351 1.00 0.00 C ATOM 1043 CE1 PHE A 66 3.597 -3.281 -5.053 1.00 0.00 C ATOM 1044 CE2 PHE A 66 1.493 -3.773 -6.077 1.00 0.00 C ATOM 1045 CZ PHE A 66 2.584 -2.938 -5.925 1.00 0.00 C ATOM 0 H PHE A 66 1.525 -8.120 -5.538 1.00 0.00 H new ATOM 0 HA PHE A 66 4.154 -7.310 -4.568 1.00 0.00 H new ATOM 0 HB2 PHE A 66 1.311 -6.893 -3.608 1.00 0.00 H new ATOM 0 HB3 PHE A 66 2.705 -6.395 -2.669 1.00 0.00 H new ATOM 0 HD1 PHE A 66 4.310 -4.721 -3.651 1.00 0.00 H new ATOM 0 HD2 PHE A 66 0.561 -5.593 -5.471 1.00 0.00 H new ATOM 0 HE1 PHE A 66 4.452 -2.632 -4.934 1.00 0.00 H new ATOM 0 HE2 PHE A 66 0.701 -3.509 -6.762 1.00 0.00 H new ATOM 0 HZ PHE A 66 2.644 -2.018 -6.488 1.00 0.00 H new ATOM 1055 N SER A 67 2.627 -9.919 -3.459 1.00 0.00 N ATOM 1056 CA SER A 67 2.824 -11.107 -2.640 1.00 0.00 C ATOM 1057 C SER A 67 4.100 -11.815 -3.084 1.00 0.00 C ATOM 1058 O SER A 67 4.898 -12.264 -2.263 1.00 0.00 O ATOM 1059 CB SER A 67 1.615 -12.043 -2.752 1.00 0.00 C ATOM 1060 OG SER A 67 1.746 -13.162 -1.890 1.00 0.00 O ATOM 0 H SER A 67 1.869 -9.993 -4.138 1.00 0.00 H new ATOM 0 HA SER A 67 2.923 -10.815 -1.595 1.00 0.00 H new ATOM 0 HB2 SER A 67 0.705 -11.496 -2.505 1.00 0.00 H new ATOM 0 HB3 SER A 67 1.512 -12.385 -3.782 1.00 0.00 H new ATOM 0 HG SER A 67 2.430 -12.976 -1.214 1.00 0.00 H new