USER MOD reduce.3.24.130724 H: found=0, std=0, add=638, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 636 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 8 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= -1.39! C(o=-1.4!,f=-6!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot -74:sc= 0.867 USER MOD Single : A 7 HIS : no HD1:sc= -1.59 K(o=-1.6,f=-0.35) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -4.19! C(o=-4.2!,f=-5.3!) USER MOD Single : A 18 SER OG : rot 180:sc= -0.0465 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -2:sc= 0.792! USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= -1.43 K(o=-1.4,f=-3.6!) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 53 MET CE :methyl -173:sc= -1.71 (180deg=-1.87) USER MOD Single : A 55 HIS : no HD1:sc= -15.6! C(o=-16!,f=-20!) USER MOD Single : A 56 THR OG1 : rot 180:sc=0.000219 USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.298 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.144! USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc=-0.00844 X(o=-0.0084,f=-0.21) USER MOD Single : A 80 LYS NZ :NH3+ -115:sc= 1.66 (180deg=-0.00108) USER MOD Single : A 82 GLN : amide:sc= -1.62 K(o=-1.6,f=-1.1) USER MOD Single : A 83 TYR OH : rot 92:sc= 0.155 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= -1.59 USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 33 N ASN A 3 1.601 -13.409 2.012 1.00 0.00 N ATOM 34 CA ASN A 3 2.402 -12.793 0.968 1.00 0.00 C ATOM 35 C ASN A 3 3.849 -13.275 1.089 1.00 0.00 C ATOM 36 O ASN A 3 4.469 -13.131 2.141 1.00 0.00 O ATOM 37 CB ASN A 3 2.400 -11.269 1.102 1.00 0.00 C ATOM 38 CG ASN A 3 1.152 -10.784 1.844 1.00 0.00 C ATOM 39 OD1 ASN A 3 1.198 -9.883 2.665 1.00 0.00 O ATOM 40 ND2 ASN A 3 0.040 -11.431 1.511 1.00 0.00 N ATOM 0 HA ASN A 3 1.974 -13.073 0.005 1.00 0.00 H new ATOM 0 HB2 ASN A 3 3.293 -10.946 1.637 1.00 0.00 H new ATOM 0 HB3 ASN A 3 2.439 -10.814 0.112 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -0.846 -11.182 1.951 1.00 0.00 H new ATOM 0 HD22 ASN A 3 0.072 -12.176 0.815 1.00 0.00 H new ATOM 47 N LYS A 4 4.342 -13.839 -0.004 1.00 0.00 N ATOM 48 CA LYS A 4 5.704 -14.344 -0.034 1.00 0.00 C ATOM 49 C LYS A 4 6.391 -13.873 -1.317 1.00 0.00 C ATOM 50 O LYS A 4 5.941 -14.187 -2.418 1.00 0.00 O ATOM 51 CB LYS A 4 5.717 -15.864 0.147 1.00 0.00 C ATOM 52 CG LYS A 4 7.127 -16.427 -0.037 1.00 0.00 C ATOM 53 CD LYS A 4 7.087 -17.797 -0.718 1.00 0.00 C ATOM 54 CE LYS A 4 7.332 -17.669 -2.223 1.00 0.00 C ATOM 55 NZ LYS A 4 6.639 -18.754 -2.954 1.00 0.00 N ATOM 0 H LYS A 4 3.823 -13.957 -0.874 1.00 0.00 H new ATOM 0 HA LYS A 4 6.277 -13.941 0.801 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.347 -16.118 1.140 1.00 0.00 H new ATOM 0 HB3 LYS A 4 5.041 -16.325 -0.573 1.00 0.00 H new ATOM 0 HG2 LYS A 4 7.723 -15.737 -0.635 1.00 0.00 H new ATOM 0 HG3 LYS A 4 7.617 -16.513 0.933 1.00 0.00 H new ATOM 0 HD2 LYS A 4 7.842 -18.448 -0.277 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.119 -18.266 -0.542 1.00 0.00 H new ATOM 0 HE2 LYS A 4 6.976 -16.700 -2.574 1.00 0.00 H new ATOM 0 HE3 LYS A 4 8.402 -17.709 -2.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 6.815 -18.653 -3.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 6.998 -19.675 -2.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 5.617 -18.697 -2.772 1.00 0.00 H new ATOM 69 N LYS A 5 7.470 -13.126 -1.133 1.00 0.00 N ATOM 70 CA LYS A 5 8.223 -12.608 -2.262 1.00 0.00 C ATOM 71 C LYS A 5 7.428 -11.481 -2.926 1.00 0.00 C ATOM 72 O LYS A 5 6.200 -11.460 -2.859 1.00 0.00 O ATOM 73 CB LYS A 5 8.600 -13.740 -3.220 1.00 0.00 C ATOM 74 CG LYS A 5 10.091 -14.070 -3.119 1.00 0.00 C ATOM 75 CD LYS A 5 10.371 -15.497 -3.590 1.00 0.00 C ATOM 76 CE LYS A 5 11.744 -15.974 -3.112 1.00 0.00 C ATOM 77 NZ LYS A 5 12.329 -16.926 -4.082 1.00 0.00 N ATOM 0 H LYS A 5 7.840 -12.867 -0.219 1.00 0.00 H new ATOM 0 HA LYS A 5 9.166 -12.179 -1.925 1.00 0.00 H new ATOM 0 HB2 LYS A 5 8.011 -14.628 -2.989 1.00 0.00 H new ATOM 0 HB3 LYS A 5 8.356 -13.452 -4.243 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.664 -13.366 -3.722 1.00 0.00 H new ATOM 0 HG3 LYS A 5 10.424 -13.952 -2.088 1.00 0.00 H new ATOM 0 HD2 LYS A 5 9.598 -16.166 -3.212 1.00 0.00 H new ATOM 0 HD3 LYS A 5 10.326 -15.540 -4.678 1.00 0.00 H new ATOM 0 HE2 LYS A 5 12.409 -15.119 -2.986 1.00 0.00 H new ATOM 0 HE3 LYS A 5 11.650 -16.451 -2.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 13.260 -17.240 -3.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 11.702 -17.749 -4.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 12.437 -16.459 -5.005 1.00 0.00 H new ATOM 91 N SER A 6 8.161 -10.572 -3.552 1.00 0.00 N ATOM 92 CA SER A 6 7.540 -9.445 -4.226 1.00 0.00 C ATOM 93 C SER A 6 7.300 -8.306 -3.232 1.00 0.00 C ATOM 94 O SER A 6 7.802 -8.342 -2.110 1.00 0.00 O ATOM 95 CB SER A 6 6.224 -9.856 -4.889 1.00 0.00 C ATOM 96 OG SER A 6 5.098 -9.561 -4.065 1.00 0.00 O ATOM 0 H SER A 6 9.179 -10.593 -3.606 1.00 0.00 H new ATOM 0 HA SER A 6 8.217 -9.100 -5.007 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.121 -9.339 -5.843 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.245 -10.924 -5.106 1.00 0.00 H new ATOM 0 HG SER A 6 5.060 -10.199 -3.322 1.00 0.00 H new ATOM 102 N HIS A 7 6.535 -7.323 -3.680 1.00 0.00 N ATOM 103 CA HIS A 7 6.223 -6.177 -2.843 1.00 0.00 C ATOM 104 C HIS A 7 4.731 -5.853 -2.950 1.00 0.00 C ATOM 105 O HIS A 7 4.247 -5.482 -4.018 1.00 0.00 O ATOM 106 CB HIS A 7 7.113 -4.985 -3.202 1.00 0.00 C ATOM 107 CG HIS A 7 8.563 -5.167 -2.820 1.00 0.00 C ATOM 108 ND1 HIS A 7 9.229 -4.302 -1.968 1.00 0.00 N ATOM 109 CD2 HIS A 7 9.467 -6.123 -3.182 1.00 0.00 C ATOM 110 CE1 HIS A 7 10.477 -4.727 -1.832 1.00 0.00 C ATOM 111 NE2 HIS A 7 10.622 -5.855 -2.585 1.00 0.00 N ATOM 0 H HIS A 7 6.122 -7.296 -4.612 1.00 0.00 H new ATOM 0 HA HIS A 7 6.434 -6.416 -1.801 1.00 0.00 H new ATOM 0 HB2 HIS A 7 7.050 -4.807 -4.276 1.00 0.00 H new ATOM 0 HB3 HIS A 7 6.726 -4.094 -2.708 1.00 0.00 H new ATOM 0 HD2 HIS A 7 9.275 -6.956 -3.842 1.00 0.00 H new ATOM 0 HE1 HIS A 7 11.244 -4.262 -1.231 1.00 0.00 H new ATOM 0 HE2 HIS A 7 11.478 -6.403 -2.675 1.00 0.00 H new ATOM 119 N TYR A 8 4.043 -6.009 -1.829 1.00 0.00 N ATOM 120 CA TYR A 8 2.616 -5.739 -1.782 1.00 0.00 C ATOM 121 C TYR A 8 2.332 -4.405 -1.089 1.00 0.00 C ATOM 122 O TYR A 8 2.695 -4.215 0.071 1.00 0.00 O ATOM 123 CB TYR A 8 2.000 -6.870 -0.956 1.00 0.00 C ATOM 124 CG TYR A 8 1.253 -7.914 -1.791 1.00 0.00 C ATOM 125 CD1 TYR A 8 -0.073 -7.715 -2.118 1.00 0.00 C ATOM 126 CD2 TYR A 8 1.905 -9.053 -2.215 1.00 0.00 C ATOM 127 CE1 TYR A 8 -0.776 -8.697 -2.902 1.00 0.00 C ATOM 128 CE2 TYR A 8 1.202 -10.036 -3.000 1.00 0.00 C ATOM 129 CZ TYR A 8 -0.103 -9.809 -3.305 1.00 0.00 C ATOM 130 OH TYR A 8 -0.767 -10.736 -4.046 1.00 0.00 O ATOM 0 H TYR A 8 4.447 -6.319 -0.945 1.00 0.00 H new ATOM 0 HA TYR A 8 2.203 -5.683 -2.789 1.00 0.00 H new ATOM 0 HB2 TYR A 8 2.790 -7.367 -0.393 1.00 0.00 H new ATOM 0 HB3 TYR A 8 1.311 -6.441 -0.228 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -0.583 -6.823 -1.786 1.00 0.00 H new ATOM 0 HD2 TYR A 8 2.943 -9.208 -1.959 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -1.814 -8.554 -3.164 1.00 0.00 H new ATOM 0 HE2 TYR A 8 1.701 -10.932 -3.338 1.00 0.00 H new ATOM 0 HH TYR A 8 -0.162 -11.476 -4.263 1.00 0.00 H new ATOM 140 N PHE A 9 1.688 -3.515 -1.829 1.00 0.00 N ATOM 141 CA PHE A 9 1.351 -2.205 -1.299 1.00 0.00 C ATOM 142 C PHE A 9 0.066 -2.261 -0.472 1.00 0.00 C ATOM 143 O PHE A 9 -1.034 -2.245 -1.024 1.00 0.00 O ATOM 144 CB PHE A 9 1.131 -1.281 -2.499 1.00 0.00 C ATOM 145 CG PHE A 9 1.653 0.142 -2.294 1.00 0.00 C ATOM 146 CD1 PHE A 9 1.067 0.955 -1.374 1.00 0.00 C ATOM 147 CD2 PHE A 9 2.702 0.595 -3.031 1.00 0.00 C ATOM 148 CE1 PHE A 9 1.551 2.275 -1.183 1.00 0.00 C ATOM 149 CE2 PHE A 9 3.187 1.916 -2.840 1.00 0.00 C ATOM 150 CZ PHE A 9 2.601 2.728 -1.919 1.00 0.00 C ATOM 0 H PHE A 9 1.391 -3.675 -2.791 1.00 0.00 H new ATOM 0 HA PHE A 9 2.152 -1.849 -0.651 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.620 -1.714 -3.372 1.00 0.00 H new ATOM 0 HB3 PHE A 9 0.064 -1.237 -2.720 1.00 0.00 H new ATOM 0 HD1 PHE A 9 0.233 0.596 -0.789 1.00 0.00 H new ATOM 0 HD2 PHE A 9 3.167 -0.050 -3.762 1.00 0.00 H new ATOM 0 HE1 PHE A 9 1.085 2.920 -0.453 1.00 0.00 H new ATOM 0 HE2 PHE A 9 4.020 2.276 -3.425 1.00 0.00 H new ATOM 0 HZ PHE A 9 2.970 3.732 -1.772 1.00 0.00 H new ATOM 160 N TYR A 10 0.247 -2.325 0.839 1.00 0.00 N ATOM 161 CA TYR A 10 -0.885 -2.384 1.749 1.00 0.00 C ATOM 162 C TYR A 10 -0.979 -1.109 2.588 1.00 0.00 C ATOM 163 O TYR A 10 -0.243 -0.944 3.561 1.00 0.00 O ATOM 164 CB TYR A 10 -0.618 -3.571 2.676 1.00 0.00 C ATOM 165 CG TYR A 10 -1.339 -4.856 2.263 1.00 0.00 C ATOM 166 CD1 TYR A 10 -2.687 -5.006 2.520 1.00 0.00 C ATOM 167 CD2 TYR A 10 -0.641 -5.866 1.633 1.00 0.00 C ATOM 168 CE1 TYR A 10 -3.364 -6.215 2.130 1.00 0.00 C ATOM 169 CE2 TYR A 10 -1.319 -7.075 1.243 1.00 0.00 C ATOM 170 CZ TYR A 10 -2.648 -7.190 1.511 1.00 0.00 C ATOM 171 OH TYR A 10 -3.288 -8.333 1.143 1.00 0.00 O ATOM 0 H TYR A 10 1.160 -2.337 1.293 1.00 0.00 H new ATOM 0 HA TYR A 10 -1.818 -2.487 1.196 1.00 0.00 H new ATOM 0 HB2 TYR A 10 0.455 -3.762 2.706 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -0.923 -3.305 3.688 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -3.234 -4.216 3.014 1.00 0.00 H new ATOM 0 HD2 TYR A 10 0.414 -5.750 1.432 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -4.418 -6.344 2.325 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.784 -7.873 0.749 1.00 0.00 H new ATOM 0 HH TYR A 10 -2.651 -8.940 0.710 1.00 0.00 H new ATOM 181 N VAL A 11 -1.892 -0.238 2.182 1.00 0.00 N ATOM 182 CA VAL A 11 -2.093 1.019 2.885 1.00 0.00 C ATOM 183 C VAL A 11 -3.106 0.811 4.012 1.00 0.00 C ATOM 184 O VAL A 11 -4.314 0.847 3.778 1.00 0.00 O ATOM 185 CB VAL A 11 -2.510 2.110 1.897 1.00 0.00 C ATOM 186 CG1 VAL A 11 -3.486 3.093 2.547 1.00 0.00 C ATOM 187 CG2 VAL A 11 -1.288 2.840 1.337 1.00 0.00 C ATOM 0 H VAL A 11 -2.501 -0.378 1.376 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.163 1.354 3.343 1.00 0.00 H new ATOM 0 HB VAL A 11 -3.023 1.629 1.064 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.767 3.859 1.824 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -4.378 2.558 2.874 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -3.010 3.564 3.407 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.613 3.610 0.637 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -0.734 3.302 2.154 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.644 2.128 0.820 1.00 0.00 H new ATOM 197 N LEU A 12 -2.579 0.601 5.209 1.00 0.00 N ATOM 198 CA LEU A 12 -3.424 0.388 6.371 1.00 0.00 C ATOM 199 C LEU A 12 -3.978 1.733 6.846 1.00 0.00 C ATOM 200 O LEU A 12 -3.371 2.776 6.612 1.00 0.00 O ATOM 201 CB LEU A 12 -2.662 -0.381 7.453 1.00 0.00 C ATOM 202 CG LEU A 12 -1.768 -1.523 6.962 1.00 0.00 C ATOM 203 CD1 LEU A 12 -0.302 -1.255 7.302 1.00 0.00 C ATOM 204 CD2 LEU A 12 -2.250 -2.868 7.510 1.00 0.00 C ATOM 0 H LEU A 12 -1.577 0.574 5.399 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.280 -0.236 6.112 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.043 0.326 8.006 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.386 -0.790 8.158 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.841 -1.574 5.876 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.312 -2.081 6.943 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.019 -0.330 6.824 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.190 -1.163 8.382 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.599 -3.663 7.147 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.225 -2.847 8.600 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.270 -3.053 7.174 1.00 0.00 H new ATOM 216 N LEU A 13 -5.124 1.663 7.508 1.00 0.00 N ATOM 217 CA LEU A 13 -5.767 2.862 8.020 1.00 0.00 C ATOM 218 C LEU A 13 -5.725 2.846 9.549 1.00 0.00 C ATOM 219 O LEU A 13 -5.745 1.780 10.162 1.00 0.00 O ATOM 220 CB LEU A 13 -7.177 3.000 7.444 1.00 0.00 C ATOM 221 CG LEU A 13 -8.118 3.945 8.194 1.00 0.00 C ATOM 222 CD1 LEU A 13 -9.133 4.580 7.241 1.00 0.00 C ATOM 223 CD2 LEU A 13 -8.799 3.229 9.363 1.00 0.00 C ATOM 0 H LEU A 13 -5.624 0.795 7.702 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.227 3.752 7.697 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.095 3.344 6.413 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.635 2.011 7.415 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.522 4.755 8.616 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -9.789 5.247 7.800 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -8.606 5.148 6.474 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.728 3.798 6.769 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.462 3.924 9.879 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.379 2.386 8.986 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -8.042 2.866 10.058 1.00 0.00 H new ATOM 235 N CYS A 14 -5.666 4.040 10.119 1.00 0.00 N ATOM 236 CA CYS A 14 -5.621 4.176 11.565 1.00 0.00 C ATOM 237 C CYS A 14 -6.909 4.865 12.023 1.00 0.00 C ATOM 238 O CYS A 14 -7.568 5.544 11.237 1.00 0.00 O ATOM 239 CB CYS A 14 -4.374 4.936 12.024 1.00 0.00 C ATOM 240 SG CYS A 14 -3.184 3.777 12.791 1.00 0.00 S ATOM 0 H CYS A 14 -5.648 4.922 9.606 1.00 0.00 H new ATOM 0 HA CYS A 14 -5.554 3.189 12.023 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -3.910 5.438 11.175 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -4.652 5.711 12.739 1.00 0.00 H new ATOM 0 HG CYS A 14 -2.128 4.431 13.175 1.00 0.00 H new ATOM 246 N GLN A 15 -7.229 4.667 13.293 1.00 0.00 N ATOM 247 CA GLN A 15 -8.426 5.259 13.865 1.00 0.00 C ATOM 248 C GLN A 15 -8.546 6.725 13.440 1.00 0.00 C ATOM 249 O GLN A 15 -9.645 7.209 13.174 1.00 0.00 O ATOM 250 CB GLN A 15 -8.428 5.129 15.391 1.00 0.00 C ATOM 251 CG GLN A 15 -7.365 6.032 16.019 1.00 0.00 C ATOM 252 CD GLN A 15 -5.958 5.594 15.605 1.00 0.00 C ATOM 253 OE1 GLN A 15 -5.162 6.369 15.103 1.00 0.00 O ATOM 254 NE2 GLN A 15 -5.699 4.312 15.842 1.00 0.00 N ATOM 0 H GLN A 15 -6.680 4.104 13.943 1.00 0.00 H new ATOM 0 HA GLN A 15 -9.293 4.717 13.486 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -9.411 5.393 15.781 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -8.242 4.092 15.672 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -7.533 7.065 15.713 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -7.454 6.003 17.105 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -6.412 3.718 16.265 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -4.788 3.923 15.600 1.00 0.00 H new ATOM 263 N ASP A 16 -7.402 7.389 13.390 1.00 0.00 N ATOM 264 CA ASP A 16 -7.366 8.789 13.003 1.00 0.00 C ATOM 265 C ASP A 16 -7.705 8.911 11.515 1.00 0.00 C ATOM 266 O ASP A 16 -8.409 9.834 11.110 1.00 0.00 O ATOM 267 CB ASP A 16 -5.974 9.386 13.221 1.00 0.00 C ATOM 268 CG ASP A 16 -5.956 10.755 13.903 1.00 0.00 C ATOM 269 OD1 ASP A 16 -7.063 11.274 14.164 1.00 0.00 O ATOM 270 OD2 ASP A 16 -4.836 11.251 14.151 1.00 0.00 O ATOM 0 H ASP A 16 -6.492 6.984 13.611 1.00 0.00 H new ATOM 0 HA ASP A 16 -8.089 9.327 13.616 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -5.387 8.691 13.821 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -5.477 9.472 12.255 1.00 0.00 H new ATOM 275 N GLY A 17 -7.188 7.967 10.744 1.00 0.00 N ATOM 276 CA GLY A 17 -7.427 7.957 9.312 1.00 0.00 C ATOM 277 C GLY A 17 -6.138 8.242 8.538 1.00 0.00 C ATOM 278 O GLY A 17 -6.135 9.041 7.602 1.00 0.00 O ATOM 0 H GLY A 17 -6.604 7.203 11.084 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -7.828 6.988 9.014 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -8.179 8.705 9.060 1.00 0.00 H new ATOM 282 N SER A 18 -5.072 7.574 8.958 1.00 0.00 N ATOM 283 CA SER A 18 -3.781 7.748 8.316 1.00 0.00 C ATOM 284 C SER A 18 -3.504 6.575 7.373 1.00 0.00 C ATOM 285 O SER A 18 -3.727 5.419 7.731 1.00 0.00 O ATOM 286 CB SER A 18 -2.664 7.870 9.354 1.00 0.00 C ATOM 287 OG SER A 18 -2.190 6.595 9.783 1.00 0.00 O ATOM 0 H SER A 18 -5.077 6.912 9.734 1.00 0.00 H new ATOM 0 HA SER A 18 -3.807 8.672 7.738 1.00 0.00 H new ATOM 0 HB2 SER A 18 -1.837 8.440 8.931 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.029 8.429 10.215 1.00 0.00 H new ATOM 0 HG SER A 18 -1.477 6.717 10.444 1.00 0.00 H new ATOM 293 N PHE A 19 -3.020 6.912 6.186 1.00 0.00 N ATOM 294 CA PHE A 19 -2.711 5.901 5.189 1.00 0.00 C ATOM 295 C PHE A 19 -1.259 5.436 5.315 1.00 0.00 C ATOM 296 O PHE A 19 -0.343 6.115 4.853 1.00 0.00 O ATOM 297 CB PHE A 19 -2.909 6.551 3.819 1.00 0.00 C ATOM 298 CG PHE A 19 -4.327 7.074 3.577 1.00 0.00 C ATOM 299 CD1 PHE A 19 -4.698 8.285 4.070 1.00 0.00 C ATOM 300 CD2 PHE A 19 -5.215 6.326 2.868 1.00 0.00 C ATOM 301 CE1 PHE A 19 -6.014 8.770 3.844 1.00 0.00 C ATOM 302 CE2 PHE A 19 -6.531 6.811 2.644 1.00 0.00 C ATOM 303 CZ PHE A 19 -6.903 8.023 3.136 1.00 0.00 C ATOM 0 H PHE A 19 -2.834 7.871 5.893 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.356 5.033 5.324 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.205 7.377 3.715 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.664 5.824 3.045 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -3.993 8.878 4.633 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.919 5.364 2.476 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -6.309 9.733 4.235 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -7.237 6.217 2.083 1.00 0.00 H new ATOM 0 HZ PHE A 19 -7.903 8.392 2.965 1.00 0.00 H new ATOM 313 N TYR A 20 -1.094 4.281 5.942 1.00 0.00 N ATOM 314 CA TYR A 20 0.231 3.715 6.133 1.00 0.00 C ATOM 315 C TYR A 20 0.625 2.827 4.952 1.00 0.00 C ATOM 316 O TYR A 20 0.329 1.633 4.942 1.00 0.00 O ATOM 317 CB TYR A 20 0.143 2.854 7.395 1.00 0.00 C ATOM 318 CG TYR A 20 1.451 2.775 8.187 1.00 0.00 C ATOM 319 CD1 TYR A 20 2.031 3.929 8.676 1.00 0.00 C ATOM 320 CD2 TYR A 20 2.049 1.552 8.413 1.00 0.00 C ATOM 321 CE1 TYR A 20 3.261 3.854 9.421 1.00 0.00 C ATOM 322 CE2 TYR A 20 3.278 1.479 9.157 1.00 0.00 C ATOM 323 CZ TYR A 20 3.823 2.634 9.625 1.00 0.00 C ATOM 324 OH TYR A 20 4.986 2.564 10.329 1.00 0.00 O ATOM 0 H TYR A 20 -1.856 3.721 6.325 1.00 0.00 H new ATOM 0 HA TYR A 20 0.977 4.505 6.216 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -0.638 3.254 8.042 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -0.161 1.846 7.114 1.00 0.00 H new ATOM 0 HD1 TYR A 20 1.563 4.886 8.500 1.00 0.00 H new ATOM 0 HD2 TYR A 20 1.594 0.650 8.031 1.00 0.00 H new ATOM 0 HE1 TYR A 20 3.727 4.748 9.809 1.00 0.00 H new ATOM 0 HE2 TYR A 20 3.757 0.529 9.340 1.00 0.00 H new ATOM 0 HH TYR A 20 5.271 1.629 10.398 1.00 0.00 H new ATOM 334 N GLY A 21 1.285 3.445 3.983 1.00 0.00 N ATOM 335 CA GLY A 21 1.721 2.726 2.798 1.00 0.00 C ATOM 336 C GLY A 21 2.907 1.812 3.118 1.00 0.00 C ATOM 337 O GLY A 21 4.024 2.284 3.314 1.00 0.00 O ATOM 0 H GLY A 21 1.528 4.436 3.995 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.896 2.133 2.404 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.003 3.436 2.021 1.00 0.00 H new ATOM 341 N GLY A 22 2.621 0.519 3.159 1.00 0.00 N ATOM 342 CA GLY A 22 3.648 -0.466 3.452 1.00 0.00 C ATOM 343 C GLY A 22 3.898 -1.371 2.245 1.00 0.00 C ATOM 344 O GLY A 22 2.971 -1.987 1.724 1.00 0.00 O ATOM 0 H GLY A 22 1.692 0.131 2.994 1.00 0.00 H new ATOM 0 HA2 GLY A 22 4.573 0.039 3.730 1.00 0.00 H new ATOM 0 HA3 GLY A 22 3.345 -1.070 4.307 1.00 0.00 H new ATOM 348 N TYR A 23 5.158 -1.425 1.836 1.00 0.00 N ATOM 349 CA TYR A 23 5.542 -2.244 0.699 1.00 0.00 C ATOM 350 C TYR A 23 6.356 -3.459 1.151 1.00 0.00 C ATOM 351 O TYR A 23 7.573 -3.370 1.312 1.00 0.00 O ATOM 352 CB TYR A 23 6.420 -1.356 -0.184 1.00 0.00 C ATOM 353 CG TYR A 23 7.543 -0.641 0.572 1.00 0.00 C ATOM 354 CD1 TYR A 23 7.294 0.566 1.193 1.00 0.00 C ATOM 355 CD2 TYR A 23 8.801 -1.203 0.632 1.00 0.00 C ATOM 356 CE1 TYR A 23 8.350 1.238 1.905 1.00 0.00 C ATOM 357 CE2 TYR A 23 9.856 -0.531 1.343 1.00 0.00 C ATOM 358 CZ TYR A 23 9.580 0.658 1.944 1.00 0.00 C ATOM 359 OH TYR A 23 10.577 1.293 2.616 1.00 0.00 O ATOM 0 H TYR A 23 5.926 -0.914 2.272 1.00 0.00 H new ATOM 0 HA TYR A 23 4.660 -2.611 0.174 1.00 0.00 H new ATOM 0 HB2 TYR A 23 6.859 -1.967 -0.973 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.791 -0.610 -0.670 1.00 0.00 H new ATOM 0 HD1 TYR A 23 6.309 1.006 1.145 1.00 0.00 H new ATOM 0 HD2 TYR A 23 8.994 -2.148 0.145 1.00 0.00 H new ATOM 0 HE1 TYR A 23 8.169 2.182 2.397 1.00 0.00 H new ATOM 0 HE2 TYR A 23 10.845 -0.961 1.398 1.00 0.00 H new ATOM 0 HH TYR A 23 11.399 0.762 2.560 1.00 0.00 H new ATOM 369 N THR A 24 5.653 -4.565 1.340 1.00 0.00 N ATOM 370 CA THR A 24 6.294 -5.795 1.771 1.00 0.00 C ATOM 371 C THR A 24 5.336 -6.978 1.618 1.00 0.00 C ATOM 372 O THR A 24 4.193 -6.805 1.198 1.00 0.00 O ATOM 373 CB THR A 24 6.791 -5.595 3.204 1.00 0.00 C ATOM 374 OG1 THR A 24 7.960 -6.405 3.283 1.00 0.00 O ATOM 375 CG2 THR A 24 5.845 -6.204 4.241 1.00 0.00 C ATOM 0 H THR A 24 4.645 -4.635 1.202 1.00 0.00 H new ATOM 0 HA THR A 24 7.155 -6.032 1.145 1.00 0.00 H new ATOM 0 HB THR A 24 6.910 -4.530 3.402 1.00 0.00 H new ATOM 0 HG1 THR A 24 8.348 -6.333 4.180 1.00 0.00 H new ATOM 0 HG21 THR A 24 6.244 -6.034 5.241 1.00 0.00 H new ATOM 0 HG22 THR A 24 4.864 -5.736 4.157 1.00 0.00 H new ATOM 0 HG23 THR A 24 5.752 -7.276 4.064 1.00 0.00 H new ATOM 383 N THR A 25 5.837 -8.154 1.970 1.00 0.00 N ATOM 384 CA THR A 25 5.039 -9.365 1.878 1.00 0.00 C ATOM 385 C THR A 25 5.065 -10.122 3.208 1.00 0.00 C ATOM 386 O THR A 25 6.134 -10.474 3.705 1.00 0.00 O ATOM 387 CB THR A 25 5.563 -10.188 0.700 1.00 0.00 C ATOM 388 OG1 THR A 25 6.775 -10.758 1.185 1.00 0.00 O ATOM 389 CG2 THR A 25 6.007 -9.313 -0.475 1.00 0.00 C ATOM 0 H THR A 25 6.785 -8.293 2.319 1.00 0.00 H new ATOM 0 HA THR A 25 3.990 -9.135 1.691 1.00 0.00 H new ATOM 0 HB THR A 25 4.787 -10.877 0.367 1.00 0.00 H new ATOM 0 HG1 THR A 25 6.943 -10.442 2.097 1.00 0.00 H new ATOM 0 HG21 THR A 25 6.370 -9.947 -1.284 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.162 -8.722 -0.828 1.00 0.00 H new ATOM 0 HG23 THR A 25 6.806 -8.646 -0.150 1.00 0.00 H new ATOM 397 N GLU A 26 3.875 -10.351 3.744 1.00 0.00 N ATOM 398 CA GLU A 26 3.748 -11.060 5.005 1.00 0.00 C ATOM 399 C GLU A 26 4.077 -10.129 6.174 1.00 0.00 C ATOM 400 O GLU A 26 5.139 -10.240 6.782 1.00 0.00 O ATOM 401 CB GLU A 26 4.640 -12.304 5.029 1.00 0.00 C ATOM 402 CG GLU A 26 3.814 -13.567 5.273 1.00 0.00 C ATOM 403 CD GLU A 26 3.307 -13.621 6.716 1.00 0.00 C ATOM 404 OE1 GLU A 26 4.132 -13.355 7.617 1.00 0.00 O ATOM 405 OE2 GLU A 26 2.108 -13.924 6.887 1.00 0.00 O ATOM 0 H GLU A 26 2.991 -10.058 3.328 1.00 0.00 H new ATOM 0 HA GLU A 26 2.715 -11.392 5.109 1.00 0.00 H new ATOM 0 HB2 GLU A 26 5.173 -12.391 4.082 1.00 0.00 H new ATOM 0 HB3 GLU A 26 5.393 -12.201 5.811 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.968 -13.591 4.586 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.420 -14.448 5.064 1.00 0.00 H new ATOM 412 N PRO A 27 3.118 -9.206 6.461 1.00 0.00 N ATOM 413 CA PRO A 27 3.294 -8.256 7.545 1.00 0.00 C ATOM 414 C PRO A 27 3.098 -8.931 8.903 1.00 0.00 C ATOM 415 O PRO A 27 3.290 -8.306 9.944 1.00 0.00 O ATOM 416 CB PRO A 27 2.278 -7.160 7.275 1.00 0.00 C ATOM 417 CG PRO A 27 1.260 -7.759 6.319 1.00 0.00 C ATOM 418 CD PRO A 27 1.846 -9.046 5.761 1.00 0.00 C ATOM 0 HA PRO A 27 4.303 -7.845 7.585 1.00 0.00 H new ATOM 0 HB2 PRO A 27 1.801 -6.834 8.199 1.00 0.00 H new ATOM 0 HB3 PRO A 27 2.756 -6.284 6.837 1.00 0.00 H new ATOM 0 HG2 PRO A 27 0.322 -7.960 6.837 1.00 0.00 H new ATOM 0 HG3 PRO A 27 1.036 -7.060 5.513 1.00 0.00 H new ATOM 0 HD2 PRO A 27 1.185 -9.894 5.942 1.00 0.00 H new ATOM 0 HD3 PRO A 27 1.992 -8.980 4.683 1.00 0.00 H new ATOM 426 N GLU A 28 2.720 -10.200 8.848 1.00 0.00 N ATOM 427 CA GLU A 28 2.496 -10.967 10.061 1.00 0.00 C ATOM 428 C GLU A 28 3.772 -11.010 10.905 1.00 0.00 C ATOM 429 O GLU A 28 3.795 -10.511 12.028 1.00 0.00 O ATOM 430 CB GLU A 28 2.006 -12.380 9.735 1.00 0.00 C ATOM 431 CG GLU A 28 0.478 -12.448 9.752 1.00 0.00 C ATOM 432 CD GLU A 28 -0.020 -13.311 10.914 1.00 0.00 C ATOM 433 OE1 GLU A 28 0.617 -14.359 11.155 1.00 0.00 O ATOM 434 OE2 GLU A 28 -1.025 -12.904 11.533 1.00 0.00 O ATOM 0 H GLU A 28 2.563 -10.716 7.982 1.00 0.00 H new ATOM 0 HA GLU A 28 1.716 -10.473 10.641 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.376 -12.680 8.755 1.00 0.00 H new ATOM 0 HB3 GLU A 28 2.413 -13.086 10.459 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.067 -11.442 9.839 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.118 -12.859 8.809 1.00 0.00 H new ATOM 441 N ARG A 29 4.802 -11.615 10.330 1.00 0.00 N ATOM 442 CA ARG A 29 6.078 -11.729 11.016 1.00 0.00 C ATOM 443 C ARG A 29 6.669 -10.342 11.277 1.00 0.00 C ATOM 444 O ARG A 29 7.325 -10.123 12.293 1.00 0.00 O ATOM 445 CB ARG A 29 7.073 -12.552 10.193 1.00 0.00 C ATOM 446 CG ARG A 29 7.314 -11.911 8.825 1.00 0.00 C ATOM 447 CD ARG A 29 7.785 -12.953 7.807 1.00 0.00 C ATOM 448 NE ARG A 29 9.264 -12.957 7.735 1.00 0.00 N ATOM 449 CZ ARG A 29 10.054 -13.632 8.581 1.00 0.00 C ATOM 450 NH1 ARG A 29 9.516 -14.359 9.567 1.00 0.00 N ATOM 451 NH2 ARG A 29 11.386 -13.578 8.437 1.00 0.00 N ATOM 0 H ARG A 29 4.779 -12.030 9.399 1.00 0.00 H new ATOM 0 HA ARG A 29 5.899 -12.235 11.965 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.017 -12.633 10.732 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.692 -13.565 10.062 1.00 0.00 H new ATOM 0 HG2 ARG A 29 6.396 -11.442 8.472 1.00 0.00 H new ATOM 0 HG3 ARG A 29 8.061 -11.122 8.915 1.00 0.00 H new ATOM 0 HD2 ARG A 29 7.424 -13.941 8.092 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.365 -12.731 6.826 1.00 0.00 H new ATOM 0 HE ARG A 29 9.709 -12.412 6.996 1.00 0.00 H new ATOM 0 HH11 ARG A 29 8.503 -14.400 9.676 1.00 0.00 H new ATOM 0 HH12 ARG A 29 10.119 -14.872 10.210 1.00 0.00 H new ATOM 0 HH21 ARG A 29 11.796 -13.024 7.685 1.00 0.00 H new ATOM 0 HH22 ARG A 29 11.990 -14.091 9.080 1.00 0.00 H new ATOM 465 N ARG A 30 6.413 -9.440 10.340 1.00 0.00 N ATOM 466 CA ARG A 30 6.910 -8.078 10.456 1.00 0.00 C ATOM 467 C ARG A 30 6.219 -7.359 11.615 1.00 0.00 C ATOM 468 O ARG A 30 6.871 -6.669 12.398 1.00 0.00 O ATOM 469 CB ARG A 30 6.674 -7.295 9.164 1.00 0.00 C ATOM 470 CG ARG A 30 7.600 -6.078 9.083 1.00 0.00 C ATOM 471 CD ARG A 30 7.274 -5.221 7.859 1.00 0.00 C ATOM 472 NE ARG A 30 7.978 -3.923 7.949 1.00 0.00 N ATOM 473 CZ ARG A 30 7.890 -2.955 7.027 1.00 0.00 C ATOM 474 NH1 ARG A 30 7.127 -3.133 5.940 1.00 0.00 N ATOM 475 NH2 ARG A 30 8.565 -1.809 7.190 1.00 0.00 N ATOM 0 H ARG A 30 5.868 -9.625 9.498 1.00 0.00 H new ATOM 0 HA ARG A 30 7.982 -8.130 10.645 1.00 0.00 H new ATOM 0 HB2 ARG A 30 6.844 -7.944 8.305 1.00 0.00 H new ATOM 0 HB3 ARG A 30 5.635 -6.970 9.116 1.00 0.00 H new ATOM 0 HG2 ARG A 30 7.499 -5.479 9.988 1.00 0.00 H new ATOM 0 HG3 ARG A 30 8.637 -6.409 9.034 1.00 0.00 H new ATOM 0 HD2 ARG A 30 7.571 -5.743 6.950 1.00 0.00 H new ATOM 0 HD3 ARG A 30 6.198 -5.057 7.795 1.00 0.00 H new ATOM 0 HE ARG A 30 8.567 -3.754 8.764 1.00 0.00 H new ATOM 0 HH11 ARG A 30 6.613 -4.005 5.815 1.00 0.00 H new ATOM 0 HH12 ARG A 30 7.060 -2.396 5.238 1.00 0.00 H new ATOM 0 HH21 ARG A 30 9.147 -1.673 8.017 1.00 0.00 H new ATOM 0 HH22 ARG A 30 8.497 -1.073 6.487 1.00 0.00 H new ATOM 489 N LEU A 31 4.910 -7.543 11.688 1.00 0.00 N ATOM 490 CA LEU A 31 4.123 -6.920 12.739 1.00 0.00 C ATOM 491 C LEU A 31 4.653 -7.369 14.102 1.00 0.00 C ATOM 492 O LEU A 31 5.234 -6.574 14.839 1.00 0.00 O ATOM 493 CB LEU A 31 2.635 -7.201 12.535 1.00 0.00 C ATOM 494 CG LEU A 31 1.847 -6.135 11.772 1.00 0.00 C ATOM 495 CD1 LEU A 31 0.456 -6.646 11.389 1.00 0.00 C ATOM 496 CD2 LEU A 31 1.777 -4.831 12.570 1.00 0.00 C ATOM 0 H LEU A 31 4.373 -8.115 11.036 1.00 0.00 H new ATOM 0 HA LEU A 31 4.226 -5.836 12.698 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.534 -8.148 12.004 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.174 -7.334 13.514 1.00 0.00 H new ATOM 0 HG LEU A 31 2.377 -5.920 10.844 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.081 -5.867 10.848 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.554 -7.527 10.755 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.097 -6.908 12.291 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.212 -4.089 12.006 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.284 -5.015 13.524 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.786 -4.459 12.749 1.00 0.00 H new ATOM 508 N THR A 32 4.435 -8.643 14.395 1.00 0.00 N ATOM 509 CA THR A 32 4.883 -9.208 15.656 1.00 0.00 C ATOM 510 C THR A 32 6.283 -8.697 16.002 1.00 0.00 C ATOM 511 O THR A 32 6.572 -8.401 17.161 1.00 0.00 O ATOM 512 CB THR A 32 4.801 -10.731 15.546 1.00 0.00 C ATOM 513 OG1 THR A 32 5.267 -11.196 16.811 1.00 0.00 O ATOM 514 CG2 THR A 32 5.809 -11.302 14.547 1.00 0.00 C ATOM 0 H THR A 32 3.954 -9.300 13.780 1.00 0.00 H new ATOM 0 HA THR A 32 4.244 -8.893 16.481 1.00 0.00 H new ATOM 0 HB THR A 32 3.792 -11.019 15.249 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.246 -12.176 16.828 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.708 -12.387 14.508 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.618 -10.884 13.559 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.820 -11.043 14.862 1.00 0.00 H new ATOM 522 N GLU A 33 7.117 -8.610 14.975 1.00 0.00 N ATOM 523 CA GLU A 33 8.480 -8.141 15.156 1.00 0.00 C ATOM 524 C GLU A 33 8.488 -6.642 15.466 1.00 0.00 C ATOM 525 O GLU A 33 8.945 -6.227 16.530 1.00 0.00 O ATOM 526 CB GLU A 33 9.334 -8.452 13.926 1.00 0.00 C ATOM 527 CG GLU A 33 10.798 -8.075 14.166 1.00 0.00 C ATOM 528 CD GLU A 33 11.421 -7.469 12.907 1.00 0.00 C ATOM 529 OE1 GLU A 33 11.528 -8.216 11.910 1.00 0.00 O ATOM 530 OE2 GLU A 33 11.777 -6.272 12.971 1.00 0.00 O ATOM 0 H GLU A 33 6.875 -8.856 14.015 1.00 0.00 H new ATOM 0 HA GLU A 33 8.917 -8.670 16.003 1.00 0.00 H new ATOM 0 HB2 GLU A 33 9.262 -9.513 13.688 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.950 -7.905 13.065 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.864 -7.362 14.988 1.00 0.00 H new ATOM 0 HG3 GLU A 33 11.361 -8.959 14.465 1.00 0.00 H new ATOM 537 N HIS A 34 7.977 -5.872 14.517 1.00 0.00 N ATOM 538 CA HIS A 34 7.921 -4.429 14.676 1.00 0.00 C ATOM 539 C HIS A 34 7.332 -4.085 16.045 1.00 0.00 C ATOM 540 O HIS A 34 7.959 -3.380 16.835 1.00 0.00 O ATOM 541 CB HIS A 34 7.150 -3.786 13.520 1.00 0.00 C ATOM 542 CG HIS A 34 6.388 -2.540 13.908 1.00 0.00 C ATOM 543 ND1 HIS A 34 5.214 -2.578 14.641 1.00 0.00 N ATOM 544 CD2 HIS A 34 6.645 -1.224 13.661 1.00 0.00 C ATOM 545 CE1 HIS A 34 4.792 -1.334 14.817 1.00 0.00 C ATOM 546 NE2 HIS A 34 5.681 -0.497 14.210 1.00 0.00 N ATOM 0 H HIS A 34 7.598 -6.220 13.636 1.00 0.00 H new ATOM 0 HA HIS A 34 8.929 -4.016 14.640 1.00 0.00 H new ATOM 0 HB2 HIS A 34 7.851 -3.538 12.723 1.00 0.00 H new ATOM 0 HB3 HIS A 34 6.450 -4.516 13.113 1.00 0.00 H new ATOM 0 HD2 HIS A 34 7.491 -0.839 13.111 1.00 0.00 H new ATOM 0 HE1 HIS A 34 3.900 -1.036 15.348 1.00 0.00 H new ATOM 0 HE2 HIS A 34 5.615 0.521 14.183 1.00 0.00 H new ATOM 554 N ASN A 35 6.136 -4.599 16.285 1.00 0.00 N ATOM 555 CA ASN A 35 5.456 -4.355 17.546 1.00 0.00 C ATOM 556 C ASN A 35 6.440 -4.562 18.699 1.00 0.00 C ATOM 557 O ASN A 35 6.489 -3.759 19.629 1.00 0.00 O ATOM 558 CB ASN A 35 4.290 -5.328 17.740 1.00 0.00 C ATOM 559 CG ASN A 35 2.948 -4.613 17.572 1.00 0.00 C ATOM 560 OD1 ASN A 35 2.440 -3.968 18.475 1.00 0.00 O ATOM 561 ND2 ASN A 35 2.402 -4.764 16.369 1.00 0.00 N ATOM 0 H ASN A 35 5.619 -5.184 15.628 1.00 0.00 H new ATOM 0 HA ASN A 35 5.076 -3.334 17.532 1.00 0.00 H new ATOM 0 HB2 ASN A 35 4.366 -6.141 17.018 1.00 0.00 H new ATOM 0 HB3 ASN A 35 4.346 -5.776 18.732 1.00 0.00 H new ATOM 0 HD21 ASN A 35 1.505 -4.327 16.157 1.00 0.00 H new ATOM 0 HD22 ASN A 35 2.880 -5.317 15.658 1.00 0.00 H new ATOM 568 N SER A 36 7.201 -5.642 18.599 1.00 0.00 N ATOM 569 CA SER A 36 8.181 -5.964 19.623 1.00 0.00 C ATOM 570 C SER A 36 9.334 -4.961 19.576 1.00 0.00 C ATOM 571 O SER A 36 9.714 -4.397 20.601 1.00 0.00 O ATOM 572 CB SER A 36 8.709 -7.389 19.450 1.00 0.00 C ATOM 573 OG SER A 36 8.179 -8.278 20.433 1.00 0.00 O ATOM 0 H SER A 36 7.159 -6.305 17.825 1.00 0.00 H new ATOM 0 HA SER A 36 7.693 -5.902 20.596 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.451 -7.753 18.455 1.00 0.00 H new ATOM 0 HB3 SER A 36 9.797 -7.383 19.515 1.00 0.00 H new ATOM 0 HG SER A 36 8.538 -9.178 20.288 1.00 0.00 H new ATOM 579 N GLY A 37 9.861 -4.770 18.375 1.00 0.00 N ATOM 580 CA GLY A 37 10.965 -3.844 18.181 1.00 0.00 C ATOM 581 C GLY A 37 10.456 -2.411 18.014 1.00 0.00 C ATOM 582 O GLY A 37 9.721 -1.907 18.862 1.00 0.00 O ATOM 0 H GLY A 37 9.544 -5.240 17.527 1.00 0.00 H new ATOM 0 HA2 GLY A 37 11.642 -3.896 19.034 1.00 0.00 H new ATOM 0 HA3 GLY A 37 11.538 -4.135 17.301 1.00 0.00 H new ATOM 773 N ARG A 49 -3.780 -0.557 18.157 1.00 0.00 N ATOM 774 CA ARG A 49 -3.438 -0.248 16.779 1.00 0.00 C ATOM 775 C ARG A 49 -4.446 -0.890 15.824 1.00 0.00 C ATOM 776 O ARG A 49 -4.216 -1.986 15.317 1.00 0.00 O ATOM 777 CB ARG A 49 -2.032 -0.747 16.437 1.00 0.00 C ATOM 778 CG ARG A 49 -0.964 0.123 17.102 1.00 0.00 C ATOM 779 CD ARG A 49 -0.166 0.906 16.058 1.00 0.00 C ATOM 780 NE ARG A 49 0.145 2.260 16.571 1.00 0.00 N ATOM 781 CZ ARG A 49 -0.738 3.267 16.616 1.00 0.00 C ATOM 782 NH1 ARG A 49 -1.992 3.079 16.182 1.00 0.00 N ATOM 783 NH2 ARG A 49 -0.368 4.462 17.098 1.00 0.00 N ATOM 0 HA ARG A 49 -3.465 0.836 16.665 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -1.920 -1.781 16.764 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -1.892 -0.738 15.356 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -1.436 0.816 17.799 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.290 -0.505 17.685 1.00 0.00 H new ATOM 0 HD2 ARG A 49 0.757 0.377 15.821 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.737 0.981 15.132 1.00 0.00 H new ATOM 0 HE ARG A 49 1.090 2.437 16.911 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.274 2.169 15.817 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -2.664 3.846 16.216 1.00 0.00 H new ATOM 0 HH21 ARG A 49 0.586 4.605 17.430 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -1.040 5.228 17.132 1.00 0.00 H new ATOM 797 N PRO A 50 -5.572 -0.162 15.604 1.00 0.00 N ATOM 798 CA PRO A 50 -6.618 -0.648 14.719 1.00 0.00 C ATOM 799 C PRO A 50 -6.202 -0.514 13.253 1.00 0.00 C ATOM 800 O PRO A 50 -6.776 0.281 12.511 1.00 0.00 O ATOM 801 CB PRO A 50 -7.845 0.179 15.066 1.00 0.00 C ATOM 802 CG PRO A 50 -7.325 1.406 15.798 1.00 0.00 C ATOM 803 CD PRO A 50 -5.881 1.142 16.187 1.00 0.00 C ATOM 0 HA PRO A 50 -6.821 -1.711 14.852 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -8.392 0.463 14.167 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -8.534 -0.387 15.693 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -7.393 2.288 15.161 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -7.928 1.606 16.684 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -5.219 1.916 15.799 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -5.758 1.131 17.270 1.00 0.00 H new ATOM 811 N VAL A 51 -5.207 -1.305 12.878 1.00 0.00 N ATOM 812 CA VAL A 51 -4.708 -1.285 11.515 1.00 0.00 C ATOM 813 C VAL A 51 -5.648 -2.093 10.619 1.00 0.00 C ATOM 814 O VAL A 51 -5.609 -3.323 10.622 1.00 0.00 O ATOM 815 CB VAL A 51 -3.264 -1.792 11.478 1.00 0.00 C ATOM 816 CG1 VAL A 51 -2.338 -0.875 12.280 1.00 0.00 C ATOM 817 CG2 VAL A 51 -3.177 -3.234 11.983 1.00 0.00 C ATOM 0 H VAL A 51 -4.733 -1.964 13.496 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.690 -0.265 11.131 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.932 -1.778 10.440 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.319 -1.259 12.237 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.366 0.129 11.858 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.669 -0.841 13.318 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.141 -3.570 11.947 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.538 -3.282 13.010 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.790 -3.878 11.352 1.00 0.00 H new ATOM 827 N ILE A 52 -6.472 -1.370 9.875 1.00 0.00 N ATOM 828 CA ILE A 52 -7.422 -2.005 8.978 1.00 0.00 C ATOM 829 C ILE A 52 -6.953 -1.821 7.533 1.00 0.00 C ATOM 830 O ILE A 52 -6.219 -0.880 7.229 1.00 0.00 O ATOM 831 CB ILE A 52 -8.835 -1.481 9.236 1.00 0.00 C ATOM 832 CG1 ILE A 52 -9.177 -0.333 8.283 1.00 0.00 C ATOM 833 CG2 ILE A 52 -9.014 -1.081 10.702 1.00 0.00 C ATOM 834 CD1 ILE A 52 -10.576 0.220 8.570 1.00 0.00 C ATOM 0 H ILE A 52 -6.501 -0.350 9.875 1.00 0.00 H new ATOM 0 HA ILE A 52 -7.465 -3.078 9.166 1.00 0.00 H new ATOM 0 HB ILE A 52 -9.540 -2.288 9.035 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -8.439 0.463 8.387 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -9.125 -0.684 7.252 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -10.028 -0.712 10.857 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -8.842 -1.948 11.339 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -8.300 -0.297 10.955 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -10.794 1.034 7.879 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -11.314 -0.572 8.442 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -10.617 0.592 9.594 1.00 0.00 H new ATOM 846 N MET A 53 -7.393 -2.734 6.680 1.00 0.00 N ATOM 847 CA MET A 53 -7.027 -2.685 5.274 1.00 0.00 C ATOM 848 C MET A 53 -8.066 -1.908 4.464 1.00 0.00 C ATOM 849 O MET A 53 -9.262 -1.986 4.744 1.00 0.00 O ATOM 850 CB MET A 53 -6.911 -4.108 4.727 1.00 0.00 C ATOM 851 CG MET A 53 -5.476 -4.415 4.293 1.00 0.00 C ATOM 852 SD MET A 53 -4.943 -5.964 5.000 1.00 0.00 S ATOM 853 CE MET A 53 -3.805 -5.366 6.238 1.00 0.00 C ATOM 0 H MET A 53 -8.000 -3.513 6.935 1.00 0.00 H new ATOM 0 HA MET A 53 -6.069 -2.174 5.185 1.00 0.00 H new ATOM 0 HB2 MET A 53 -7.224 -4.821 5.490 1.00 0.00 H new ATOM 0 HB3 MET A 53 -7.585 -4.231 3.879 1.00 0.00 H new ATOM 0 HG2 MET A 53 -5.419 -4.463 3.206 1.00 0.00 H new ATOM 0 HG3 MET A 53 -4.811 -3.612 4.612 1.00 0.00 H new ATOM 0 HE1 MET A 53 -3.285 -6.210 6.692 1.00 0.00 H new ATOM 0 HE2 MET A 53 -3.078 -4.700 5.773 1.00 0.00 H new ATOM 0 HE3 MET A 53 -4.355 -4.823 7.006 1.00 0.00 H new ATOM 863 N ILE A 54 -7.573 -1.175 3.477 1.00 0.00 N ATOM 864 CA ILE A 54 -8.444 -0.385 2.624 1.00 0.00 C ATOM 865 C ILE A 54 -7.834 -0.293 1.224 1.00 0.00 C ATOM 866 O ILE A 54 -8.528 -0.483 0.227 1.00 0.00 O ATOM 867 CB ILE A 54 -8.727 0.976 3.261 1.00 0.00 C ATOM 868 CG1 ILE A 54 -7.424 1.700 3.611 1.00 0.00 C ATOM 869 CG2 ILE A 54 -9.646 0.833 4.477 1.00 0.00 C ATOM 870 CD1 ILE A 54 -7.105 2.782 2.576 1.00 0.00 C ATOM 0 H ILE A 54 -6.581 -1.112 3.249 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.414 -0.870 2.518 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.252 1.591 2.530 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -7.508 2.151 4.600 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -6.605 0.982 3.656 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -9.831 1.816 4.911 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -10.592 0.389 4.168 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -9.170 0.192 5.219 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.175 3.282 2.847 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -6.998 2.324 1.592 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -7.915 3.511 2.551 1.00 0.00 H new ATOM 882 N HIS A 55 -6.542 -0.001 1.194 1.00 0.00 N ATOM 883 CA HIS A 55 -5.831 0.118 -0.068 1.00 0.00 C ATOM 884 C HIS A 55 -4.777 -0.986 -0.168 1.00 0.00 C ATOM 885 O HIS A 55 -3.887 -1.078 0.676 1.00 0.00 O ATOM 886 CB HIS A 55 -5.238 1.520 -0.226 1.00 0.00 C ATOM 887 CG HIS A 55 -6.166 2.506 -0.895 1.00 0.00 C ATOM 888 ND1 HIS A 55 -6.744 2.273 -2.130 1.00 0.00 N ATOM 889 CD2 HIS A 55 -6.612 3.730 -0.485 1.00 0.00 C ATOM 890 CE1 HIS A 55 -7.499 3.316 -2.443 1.00 0.00 C ATOM 891 NE2 HIS A 55 -7.415 4.218 -1.422 1.00 0.00 N ATOM 0 H HIS A 55 -5.969 0.157 2.023 1.00 0.00 H new ATOM 0 HA HIS A 55 -6.527 -0.015 -0.897 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -4.967 1.902 0.758 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -4.318 1.451 -0.806 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -6.355 4.218 0.444 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -8.079 3.432 -3.347 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -7.891 5.119 -1.385 1.00 0.00 H new ATOM 899 N THR A 56 -4.912 -1.796 -1.209 1.00 0.00 N ATOM 900 CA THR A 56 -3.982 -2.889 -1.430 1.00 0.00 C ATOM 901 C THR A 56 -3.403 -2.818 -2.846 1.00 0.00 C ATOM 902 O THR A 56 -3.997 -2.212 -3.734 1.00 0.00 O ATOM 903 CB THR A 56 -4.717 -4.200 -1.140 1.00 0.00 C ATOM 904 OG1 THR A 56 -5.998 -4.020 -1.735 1.00 0.00 O ATOM 905 CG2 THR A 56 -5.019 -4.384 0.349 1.00 0.00 C ATOM 0 H THR A 56 -5.651 -1.716 -1.907 1.00 0.00 H new ATOM 0 HA THR A 56 -3.126 -2.823 -0.758 1.00 0.00 H new ATOM 0 HB THR A 56 -4.118 -5.038 -1.495 1.00 0.00 H new ATOM 0 HG1 THR A 56 -6.540 -4.825 -1.595 1.00 0.00 H new ATOM 0 HG21 THR A 56 -5.541 -5.329 0.500 1.00 0.00 H new ATOM 0 HG22 THR A 56 -4.085 -4.391 0.911 1.00 0.00 H new ATOM 0 HG23 THR A 56 -5.646 -3.563 0.697 1.00 0.00 H new ATOM 913 N GLU A 57 -2.248 -3.447 -3.010 1.00 0.00 N ATOM 914 CA GLU A 57 -1.582 -3.463 -4.300 1.00 0.00 C ATOM 915 C GLU A 57 -0.426 -4.465 -4.290 1.00 0.00 C ATOM 916 O GLU A 57 0.074 -4.830 -3.226 1.00 0.00 O ATOM 917 CB GLU A 57 -1.091 -2.064 -4.681 1.00 0.00 C ATOM 918 CG GLU A 57 -1.476 -1.721 -6.122 1.00 0.00 C ATOM 919 CD GLU A 57 -1.041 -0.298 -6.481 1.00 0.00 C ATOM 920 OE1 GLU A 57 -0.563 0.399 -5.561 1.00 0.00 O ATOM 921 OE2 GLU A 57 -1.198 0.059 -7.669 1.00 0.00 O ATOM 0 H GLU A 57 -1.757 -3.949 -2.270 1.00 0.00 H new ATOM 0 HA GLU A 57 -2.303 -3.778 -5.054 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -1.519 -1.327 -4.001 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.008 -2.011 -4.568 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.010 -2.431 -6.806 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -2.554 -1.818 -6.247 1.00 0.00 H new ATOM 928 N LYS A 58 -0.035 -4.882 -5.485 1.00 0.00 N ATOM 929 CA LYS A 58 1.052 -5.835 -5.625 1.00 0.00 C ATOM 930 C LYS A 58 1.950 -5.410 -6.789 1.00 0.00 C ATOM 931 O LYS A 58 1.508 -4.701 -7.692 1.00 0.00 O ATOM 932 CB LYS A 58 0.504 -7.257 -5.761 1.00 0.00 C ATOM 933 CG LYS A 58 -0.212 -7.444 -7.100 1.00 0.00 C ATOM 934 CD LYS A 58 -1.727 -7.519 -6.905 1.00 0.00 C ATOM 935 CE LYS A 58 -2.244 -8.935 -7.164 1.00 0.00 C ATOM 936 NZ LYS A 58 -3.226 -9.327 -6.128 1.00 0.00 N ATOM 0 H LYS A 58 -0.452 -4.577 -6.365 1.00 0.00 H new ATOM 0 HA LYS A 58 1.671 -5.840 -4.728 1.00 0.00 H new ATOM 0 HB2 LYS A 58 1.320 -7.974 -5.678 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.187 -7.464 -4.943 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.032 -6.616 -7.766 1.00 0.00 H new ATOM 0 HG3 LYS A 58 0.142 -8.356 -7.582 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.982 -7.215 -5.890 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.219 -6.819 -7.580 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -2.707 -8.985 -8.149 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.411 -9.638 -7.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -3.566 -10.291 -6.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -2.773 -9.299 -5.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -4.029 -8.667 -6.144 1.00 0.00 H new ATOM 950 N PHE A 59 3.196 -5.858 -6.728 1.00 0.00 N ATOM 951 CA PHE A 59 4.160 -5.532 -7.764 1.00 0.00 C ATOM 952 C PHE A 59 5.317 -6.532 -7.772 1.00 0.00 C ATOM 953 O PHE A 59 6.056 -6.639 -6.796 1.00 0.00 O ATOM 954 CB PHE A 59 4.708 -4.139 -7.445 1.00 0.00 C ATOM 955 CG PHE A 59 3.668 -3.022 -7.553 1.00 0.00 C ATOM 956 CD1 PHE A 59 3.272 -2.579 -8.776 1.00 0.00 C ATOM 957 CD2 PHE A 59 3.142 -2.472 -6.427 1.00 0.00 C ATOM 958 CE1 PHE A 59 2.308 -1.541 -8.876 1.00 0.00 C ATOM 959 CE2 PHE A 59 2.178 -1.433 -6.527 1.00 0.00 C ATOM 960 CZ PHE A 59 1.781 -0.990 -7.750 1.00 0.00 C ATOM 0 H PHE A 59 3.559 -6.444 -5.977 1.00 0.00 H new ATOM 0 HA PHE A 59 3.679 -5.566 -8.742 1.00 0.00 H new ATOM 0 HB2 PHE A 59 5.118 -4.143 -6.435 1.00 0.00 H new ATOM 0 HB3 PHE A 59 5.533 -3.920 -8.123 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.690 -3.016 -9.671 1.00 0.00 H new ATOM 0 HD2 PHE A 59 3.457 -2.825 -5.456 1.00 0.00 H new ATOM 0 HE1 PHE A 59 1.993 -1.189 -9.847 1.00 0.00 H new ATOM 0 HE2 PHE A 59 1.761 -0.995 -5.632 1.00 0.00 H new ATOM 0 HZ PHE A 59 1.048 -0.201 -7.827 1.00 0.00 H new ATOM 970 N GLU A 60 5.437 -7.241 -8.885 1.00 0.00 N ATOM 971 CA GLU A 60 6.492 -8.230 -9.032 1.00 0.00 C ATOM 972 C GLU A 60 7.739 -7.590 -9.646 1.00 0.00 C ATOM 973 O GLU A 60 8.754 -8.257 -9.836 1.00 0.00 O ATOM 974 CB GLU A 60 6.016 -9.418 -9.871 1.00 0.00 C ATOM 975 CG GLU A 60 5.357 -8.944 -11.168 1.00 0.00 C ATOM 976 CD GLU A 60 5.641 -9.918 -12.314 1.00 0.00 C ATOM 977 OE1 GLU A 60 6.772 -10.450 -12.340 1.00 0.00 O ATOM 978 OE2 GLU A 60 4.722 -10.106 -13.141 1.00 0.00 O ATOM 0 H GLU A 60 4.821 -7.150 -9.693 1.00 0.00 H new ATOM 0 HA GLU A 60 6.751 -8.606 -8.042 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.861 -10.065 -10.104 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.307 -10.014 -9.295 1.00 0.00 H new ATOM 0 HG2 GLU A 60 4.281 -8.853 -11.021 1.00 0.00 H new ATOM 0 HG3 GLU A 60 5.728 -7.953 -11.428 1.00 0.00 H new ATOM 985 N THR A 61 7.620 -6.304 -9.938 1.00 0.00 N ATOM 986 CA THR A 61 8.725 -5.565 -10.527 1.00 0.00 C ATOM 987 C THR A 61 9.072 -4.349 -9.666 1.00 0.00 C ATOM 988 O THR A 61 8.185 -3.712 -9.099 1.00 0.00 O ATOM 989 CB THR A 61 8.340 -5.202 -11.964 1.00 0.00 C ATOM 990 OG1 THR A 61 7.075 -4.560 -11.833 1.00 0.00 O ATOM 991 CG2 THR A 61 8.045 -6.437 -12.820 1.00 0.00 C ATOM 0 H THR A 61 6.776 -5.754 -9.778 1.00 0.00 H new ATOM 0 HA THR A 61 9.631 -6.170 -10.561 1.00 0.00 H new ATOM 0 HB THR A 61 9.145 -4.627 -12.421 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.752 -4.290 -12.718 1.00 0.00 H new ATOM 0 HG21 THR A 61 7.777 -6.125 -13.829 1.00 0.00 H new ATOM 0 HG22 THR A 61 8.930 -7.072 -12.860 1.00 0.00 H new ATOM 0 HG23 THR A 61 7.218 -6.995 -12.381 1.00 0.00 H new ATOM 999 N ARG A 62 10.364 -4.065 -9.594 1.00 0.00 N ATOM 1000 CA ARG A 62 10.841 -2.936 -8.813 1.00 0.00 C ATOM 1001 C ARG A 62 10.412 -1.620 -9.465 1.00 0.00 C ATOM 1002 O ARG A 62 9.859 -0.744 -8.800 1.00 0.00 O ATOM 1003 CB ARG A 62 12.364 -2.961 -8.681 1.00 0.00 C ATOM 1004 CG ARG A 62 12.791 -3.630 -7.373 1.00 0.00 C ATOM 1005 CD ARG A 62 14.147 -3.097 -6.901 1.00 0.00 C ATOM 1006 NE ARG A 62 15.172 -4.158 -7.010 1.00 0.00 N ATOM 1007 CZ ARG A 62 15.826 -4.457 -8.140 1.00 0.00 C ATOM 1008 NH1 ARG A 62 15.566 -3.778 -9.265 1.00 0.00 N ATOM 1009 NH2 ARG A 62 16.742 -5.435 -8.145 1.00 0.00 N ATOM 0 H ARG A 62 11.096 -4.598 -10.064 1.00 0.00 H new ATOM 0 HA ARG A 62 10.402 -3.012 -7.818 1.00 0.00 H new ATOM 0 HB2 ARG A 62 12.797 -3.497 -9.526 1.00 0.00 H new ATOM 0 HB3 ARG A 62 12.752 -1.943 -8.716 1.00 0.00 H new ATOM 0 HG2 ARG A 62 12.038 -3.450 -6.606 1.00 0.00 H new ATOM 0 HG3 ARG A 62 12.850 -4.709 -7.515 1.00 0.00 H new ATOM 0 HD2 ARG A 62 14.438 -2.235 -7.502 1.00 0.00 H new ATOM 0 HD3 ARG A 62 14.074 -2.755 -5.869 1.00 0.00 H new ATOM 0 HE ARG A 62 15.395 -4.696 -6.172 1.00 0.00 H new ATOM 0 HH11 ARG A 62 14.870 -3.033 -9.261 1.00 0.00 H new ATOM 0 HH12 ARG A 62 16.064 -4.006 -10.125 1.00 0.00 H new ATOM 0 HH21 ARG A 62 16.941 -5.952 -7.288 1.00 0.00 H new ATOM 0 HH22 ARG A 62 17.240 -5.663 -9.005 1.00 0.00 H new ATOM 1023 N SER A 63 10.684 -1.521 -10.758 1.00 0.00 N ATOM 1024 CA SER A 63 10.334 -0.327 -11.506 1.00 0.00 C ATOM 1025 C SER A 63 8.930 0.143 -11.118 1.00 0.00 C ATOM 1026 O SER A 63 8.772 1.205 -10.517 1.00 0.00 O ATOM 1027 CB SER A 63 10.409 -0.581 -13.014 1.00 0.00 C ATOM 1028 OG SER A 63 11.675 -1.107 -13.404 1.00 0.00 O ATOM 0 H SER A 63 11.143 -2.249 -11.306 1.00 0.00 H new ATOM 0 HA SER A 63 11.053 0.454 -11.258 1.00 0.00 H new ATOM 0 HB2 SER A 63 9.622 -1.277 -13.304 1.00 0.00 H new ATOM 0 HB3 SER A 63 10.223 0.351 -13.548 1.00 0.00 H new ATOM 0 HG SER A 63 11.683 -1.257 -14.372 1.00 0.00 H new ATOM 1034 N GLU A 64 7.948 -0.671 -11.476 1.00 0.00 N ATOM 1035 CA GLU A 64 6.565 -0.352 -11.171 1.00 0.00 C ATOM 1036 C GLU A 64 6.418 0.018 -9.693 1.00 0.00 C ATOM 1037 O GLU A 64 5.854 1.062 -9.365 1.00 0.00 O ATOM 1038 CB GLU A 64 5.640 -1.513 -11.540 1.00 0.00 C ATOM 1039 CG GLU A 64 5.342 -1.523 -13.040 1.00 0.00 C ATOM 1040 CD GLU A 64 3.868 -1.214 -13.309 1.00 0.00 C ATOM 1041 OE1 GLU A 64 3.434 -0.118 -12.898 1.00 0.00 O ATOM 1042 OE2 GLU A 64 3.209 -2.082 -13.920 1.00 0.00 O ATOM 0 H GLU A 64 8.083 -1.551 -11.974 1.00 0.00 H new ATOM 0 HA GLU A 64 6.271 0.509 -11.772 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.103 -2.457 -11.252 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.708 -1.431 -10.981 1.00 0.00 H new ATOM 0 HG2 GLU A 64 5.969 -0.787 -13.544 1.00 0.00 H new ATOM 0 HG3 GLU A 64 5.595 -2.497 -13.458 1.00 0.00 H new ATOM 1049 N ALA A 65 6.934 -0.856 -8.843 1.00 0.00 N ATOM 1050 CA ALA A 65 6.868 -0.634 -7.409 1.00 0.00 C ATOM 1051 C ALA A 65 7.294 0.802 -7.099 1.00 0.00 C ATOM 1052 O ALA A 65 6.481 1.614 -6.659 1.00 0.00 O ATOM 1053 CB ALA A 65 7.738 -1.668 -6.692 1.00 0.00 C ATOM 0 H ALA A 65 7.400 -1.720 -9.120 1.00 0.00 H new ATOM 0 HA ALA A 65 5.847 -0.760 -7.048 1.00 0.00 H new ATOM 0 HB1 ALA A 65 7.689 -1.502 -5.616 1.00 0.00 H new ATOM 0 HB2 ALA A 65 7.376 -2.670 -6.921 1.00 0.00 H new ATOM 0 HB3 ALA A 65 8.771 -1.570 -7.027 1.00 0.00 H new ATOM 1059 N THR A 66 8.567 1.073 -7.343 1.00 0.00 N ATOM 1060 CA THR A 66 9.110 2.399 -7.095 1.00 0.00 C ATOM 1061 C THR A 66 8.261 3.463 -7.792 1.00 0.00 C ATOM 1062 O THR A 66 8.154 4.590 -7.312 1.00 0.00 O ATOM 1063 CB THR A 66 10.573 2.400 -7.542 1.00 0.00 C ATOM 1064 OG1 THR A 66 11.030 3.714 -7.231 1.00 0.00 O ATOM 1065 CG2 THR A 66 10.721 2.305 -9.061 1.00 0.00 C ATOM 0 H THR A 66 9.238 0.398 -7.710 1.00 0.00 H new ATOM 0 HA THR A 66 9.078 2.648 -6.034 1.00 0.00 H new ATOM 0 HB THR A 66 11.096 1.566 -7.073 1.00 0.00 H new ATOM 0 HG1 THR A 66 11.972 3.802 -7.487 1.00 0.00 H new ATOM 0 HG21 THR A 66 11.779 2.310 -9.325 1.00 0.00 H new ATOM 0 HG22 THR A 66 10.263 1.381 -9.414 1.00 0.00 H new ATOM 0 HG23 THR A 66 10.227 3.157 -9.529 1.00 0.00 H new ATOM 1073 N LYS A 67 7.676 3.066 -8.913 1.00 0.00 N ATOM 1074 CA LYS A 67 6.839 3.971 -9.681 1.00 0.00 C ATOM 1075 C LYS A 67 5.582 4.306 -8.873 1.00 0.00 C ATOM 1076 O LYS A 67 5.213 5.473 -8.750 1.00 0.00 O ATOM 1077 CB LYS A 67 6.543 3.385 -11.062 1.00 0.00 C ATOM 1078 CG LYS A 67 6.924 4.371 -12.170 1.00 0.00 C ATOM 1079 CD LYS A 67 7.425 3.633 -13.413 1.00 0.00 C ATOM 1080 CE LYS A 67 8.386 4.509 -14.220 1.00 0.00 C ATOM 1081 NZ LYS A 67 7.649 5.272 -15.252 1.00 0.00 N ATOM 0 H LYS A 67 7.765 2.130 -9.307 1.00 0.00 H new ATOM 0 HA LYS A 67 7.361 4.910 -9.864 1.00 0.00 H new ATOM 0 HB2 LYS A 67 7.096 2.455 -11.192 1.00 0.00 H new ATOM 0 HB3 LYS A 67 5.484 3.139 -11.137 1.00 0.00 H new ATOM 0 HG2 LYS A 67 6.060 4.983 -12.430 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.698 5.048 -11.809 1.00 0.00 H new ATOM 0 HD2 LYS A 67 7.928 2.713 -13.116 1.00 0.00 H new ATOM 0 HD3 LYS A 67 6.578 3.346 -14.036 1.00 0.00 H new ATOM 0 HE2 LYS A 67 8.907 5.197 -13.554 1.00 0.00 H new ATOM 0 HE3 LYS A 67 9.145 3.886 -14.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 8.316 5.861 -15.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 7.172 4.611 -15.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 6.941 5.881 -14.794 1.00 0.00 H new ATOM 1095 N ALA A 68 4.961 3.262 -8.346 1.00 0.00 N ATOM 1096 CA ALA A 68 3.755 3.430 -7.553 1.00 0.00 C ATOM 1097 C ALA A 68 4.014 4.457 -6.450 1.00 0.00 C ATOM 1098 O ALA A 68 3.121 5.219 -6.084 1.00 0.00 O ATOM 1099 CB ALA A 68 3.315 2.074 -6.998 1.00 0.00 C ATOM 0 H ALA A 68 5.270 2.296 -8.452 1.00 0.00 H new ATOM 0 HA ALA A 68 2.940 3.808 -8.170 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.410 2.200 -6.403 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.114 1.391 -7.823 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.107 1.663 -6.371 1.00 0.00 H new ATOM 1105 N GLU A 69 5.240 4.444 -5.949 1.00 0.00 N ATOM 1106 CA GLU A 69 5.628 5.364 -4.894 1.00 0.00 C ATOM 1107 C GLU A 69 5.702 6.793 -5.437 1.00 0.00 C ATOM 1108 O GLU A 69 4.979 7.674 -4.975 1.00 0.00 O ATOM 1109 CB GLU A 69 6.959 4.948 -4.265 1.00 0.00 C ATOM 1110 CG GLU A 69 7.078 5.472 -2.833 1.00 0.00 C ATOM 1111 CD GLU A 69 8.374 6.263 -2.643 1.00 0.00 C ATOM 1112 OE1 GLU A 69 9.438 5.608 -2.615 1.00 0.00 O ATOM 1113 OE2 GLU A 69 8.271 7.504 -2.532 1.00 0.00 O ATOM 0 H GLU A 69 5.978 3.810 -6.255 1.00 0.00 H new ATOM 0 HA GLU A 69 4.869 5.331 -4.113 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.041 3.861 -4.266 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.784 5.331 -4.866 1.00 0.00 H new ATOM 0 HG2 GLU A 69 6.223 6.108 -2.603 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.052 4.637 -2.133 1.00 0.00 H new ATOM 1120 N ALA A 70 6.582 6.978 -6.409 1.00 0.00 N ATOM 1121 CA ALA A 70 6.760 8.285 -7.018 1.00 0.00 C ATOM 1122 C ALA A 70 5.389 8.913 -7.274 1.00 0.00 C ATOM 1123 O ALA A 70 5.246 10.135 -7.237 1.00 0.00 O ATOM 1124 CB ALA A 70 7.585 8.143 -8.300 1.00 0.00 C ATOM 0 H ALA A 70 7.180 6.245 -6.790 1.00 0.00 H new ATOM 0 HA ALA A 70 7.308 8.949 -6.350 1.00 0.00 H new ATOM 0 HB1 ALA A 70 7.719 9.123 -8.757 1.00 0.00 H new ATOM 0 HB2 ALA A 70 8.560 7.718 -8.060 1.00 0.00 H new ATOM 0 HB3 ALA A 70 7.065 7.486 -8.997 1.00 0.00 H new ATOM 1130 N ALA A 71 4.415 8.052 -7.529 1.00 0.00 N ATOM 1131 CA ALA A 71 3.061 8.508 -7.791 1.00 0.00 C ATOM 1132 C ALA A 71 2.343 8.747 -6.461 1.00 0.00 C ATOM 1133 O ALA A 71 1.757 9.809 -6.249 1.00 0.00 O ATOM 1134 CB ALA A 71 2.338 7.483 -8.667 1.00 0.00 C ATOM 0 H ALA A 71 4.537 7.040 -7.560 1.00 0.00 H new ATOM 0 HA ALA A 71 3.072 9.452 -8.335 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.322 7.825 -8.864 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.872 7.370 -9.611 1.00 0.00 H new ATOM 0 HB3 ALA A 71 2.304 6.523 -8.152 1.00 0.00 H new ATOM 1140 N PHE A 72 2.411 7.744 -5.599 1.00 0.00 N ATOM 1141 CA PHE A 72 1.774 7.833 -4.295 1.00 0.00 C ATOM 1142 C PHE A 72 2.126 9.150 -3.601 1.00 0.00 C ATOM 1143 O PHE A 72 1.241 9.865 -3.133 1.00 0.00 O ATOM 1144 CB PHE A 72 2.307 6.669 -3.457 1.00 0.00 C ATOM 1145 CG PHE A 72 1.825 6.677 -2.004 1.00 0.00 C ATOM 1146 CD1 PHE A 72 2.413 7.501 -1.096 1.00 0.00 C ATOM 1147 CD2 PHE A 72 0.809 5.857 -1.622 1.00 0.00 C ATOM 1148 CE1 PHE A 72 1.965 7.507 0.251 1.00 0.00 C ATOM 1149 CE2 PHE A 72 0.361 5.865 -0.274 1.00 0.00 C ATOM 1150 CZ PHE A 72 0.949 6.689 0.633 1.00 0.00 C ATOM 0 H PHE A 72 2.897 6.865 -5.777 1.00 0.00 H new ATOM 0 HA PHE A 72 0.691 7.791 -4.406 1.00 0.00 H new ATOM 0 HB2 PHE A 72 2.006 5.731 -3.924 1.00 0.00 H new ATOM 0 HB3 PHE A 72 3.397 6.696 -3.468 1.00 0.00 H new ATOM 0 HD1 PHE A 72 3.221 8.151 -1.400 1.00 0.00 H new ATOM 0 HD2 PHE A 72 0.344 5.201 -2.343 1.00 0.00 H new ATOM 0 HE1 PHE A 72 2.432 8.162 0.972 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -0.447 5.216 0.030 1.00 0.00 H new ATOM 0 HZ PHE A 72 0.609 6.694 1.658 1.00 0.00 H new ATOM 1160 N LYS A 73 3.420 9.431 -3.557 1.00 0.00 N ATOM 1161 CA LYS A 73 3.900 10.650 -2.928 1.00 0.00 C ATOM 1162 C LYS A 73 3.183 11.853 -3.545 1.00 0.00 C ATOM 1163 O LYS A 73 3.082 12.906 -2.918 1.00 0.00 O ATOM 1164 CB LYS A 73 5.425 10.732 -3.013 1.00 0.00 C ATOM 1165 CG LYS A 73 6.074 10.225 -1.725 1.00 0.00 C ATOM 1166 CD LYS A 73 7.270 11.096 -1.334 1.00 0.00 C ATOM 1167 CE LYS A 73 6.918 12.017 -0.164 1.00 0.00 C ATOM 1168 NZ LYS A 73 7.775 13.224 -0.178 1.00 0.00 N ATOM 0 H LYS A 73 4.151 8.836 -3.947 1.00 0.00 H new ATOM 0 HA LYS A 73 3.663 10.649 -1.864 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.778 10.142 -3.859 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.728 11.763 -3.195 1.00 0.00 H new ATOM 0 HG2 LYS A 73 5.340 10.226 -0.919 1.00 0.00 H new ATOM 0 HG3 LYS A 73 6.399 9.193 -1.859 1.00 0.00 H new ATOM 0 HD2 LYS A 73 8.113 10.461 -1.061 1.00 0.00 H new ATOM 0 HD3 LYS A 73 7.585 11.693 -2.190 1.00 0.00 H new ATOM 0 HE2 LYS A 73 5.869 12.308 -0.225 1.00 0.00 H new ATOM 0 HE3 LYS A 73 7.046 11.484 0.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 7.523 13.838 0.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 8.773 12.942 -0.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 7.632 13.741 -1.069 1.00 0.00 H new ATOM 1182 N LYS A 74 2.708 11.656 -4.765 1.00 0.00 N ATOM 1183 CA LYS A 74 2.003 12.712 -5.473 1.00 0.00 C ATOM 1184 C LYS A 74 0.502 12.585 -5.207 1.00 0.00 C ATOM 1185 O LYS A 74 -0.152 13.561 -4.842 1.00 0.00 O ATOM 1186 CB LYS A 74 2.368 12.694 -6.959 1.00 0.00 C ATOM 1187 CG LYS A 74 3.576 13.590 -7.237 1.00 0.00 C ATOM 1188 CD LYS A 74 3.894 13.635 -8.733 1.00 0.00 C ATOM 1189 CE LYS A 74 5.403 13.573 -8.976 1.00 0.00 C ATOM 1190 NZ LYS A 74 5.689 13.415 -10.419 1.00 0.00 N ATOM 0 H LYS A 74 2.797 10.781 -5.282 1.00 0.00 H new ATOM 0 HA LYS A 74 2.310 13.690 -5.103 1.00 0.00 H new ATOM 0 HB2 LYS A 74 2.588 11.673 -7.271 1.00 0.00 H new ATOM 0 HB3 LYS A 74 1.517 13.031 -7.550 1.00 0.00 H new ATOM 0 HG2 LYS A 74 3.377 14.598 -6.874 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.442 13.219 -6.689 1.00 0.00 H new ATOM 0 HD2 LYS A 74 3.407 12.800 -9.237 1.00 0.00 H new ATOM 0 HD3 LYS A 74 3.490 14.550 -9.167 1.00 0.00 H new ATOM 0 HE2 LYS A 74 5.875 14.482 -8.603 1.00 0.00 H new ATOM 0 HE3 LYS A 74 5.833 12.739 -8.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 6.718 13.375 -10.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 5.255 12.535 -10.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 5.296 14.224 -10.941 1.00 0.00 H new ATOM 1204 N LEU A 75 -0.002 11.374 -5.400 1.00 0.00 N ATOM 1205 CA LEU A 75 -1.413 11.109 -5.185 1.00 0.00 C ATOM 1206 C LEU A 75 -1.815 11.602 -3.794 1.00 0.00 C ATOM 1207 O LEU A 75 -0.960 11.979 -2.994 1.00 0.00 O ATOM 1208 CB LEU A 75 -1.722 9.629 -5.427 1.00 0.00 C ATOM 1209 CG LEU A 75 -1.312 9.071 -6.790 1.00 0.00 C ATOM 1210 CD1 LEU A 75 -1.375 7.543 -6.800 1.00 0.00 C ATOM 1211 CD2 LEU A 75 -2.151 9.688 -7.911 1.00 0.00 C ATOM 0 H LEU A 75 0.543 10.566 -5.703 1.00 0.00 H new ATOM 0 HA LEU A 75 -2.018 11.660 -5.905 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.225 9.044 -4.653 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.794 9.477 -5.303 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.275 9.350 -6.974 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.078 7.173 -7.781 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.699 7.146 -6.043 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.393 7.219 -6.583 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.839 9.274 -8.870 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.204 9.462 -7.744 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.009 10.769 -7.919 1.00 0.00 H new ATOM 1223 N THR A 76 -3.117 11.584 -3.547 1.00 0.00 N ATOM 1224 CA THR A 76 -3.642 12.025 -2.267 1.00 0.00 C ATOM 1225 C THR A 76 -4.751 11.083 -1.793 1.00 0.00 C ATOM 1226 O THR A 76 -4.976 10.031 -2.391 1.00 0.00 O ATOM 1227 CB THR A 76 -4.103 13.476 -2.420 1.00 0.00 C ATOM 1228 OG1 THR A 76 -4.602 13.819 -1.130 1.00 0.00 O ATOM 1229 CG2 THR A 76 -5.320 13.611 -3.337 1.00 0.00 C ATOM 0 H THR A 76 -3.824 11.271 -4.213 1.00 0.00 H new ATOM 0 HA THR A 76 -2.876 11.992 -1.492 1.00 0.00 H new ATOM 0 HB THR A 76 -3.283 14.077 -2.814 1.00 0.00 H new ATOM 0 HG1 THR A 76 -4.921 14.746 -1.138 1.00 0.00 H new ATOM 0 HG21 THR A 76 -5.605 14.660 -3.411 1.00 0.00 H new ATOM 0 HG22 THR A 76 -5.072 13.232 -4.328 1.00 0.00 H new ATOM 0 HG23 THR A 76 -6.151 13.037 -2.926 1.00 0.00 H new ATOM 1237 N ARG A 77 -5.413 11.492 -0.721 1.00 0.00 N ATOM 1238 CA ARG A 77 -6.491 10.698 -0.159 1.00 0.00 C ATOM 1239 C ARG A 77 -7.573 10.449 -1.212 1.00 0.00 C ATOM 1240 O ARG A 77 -8.424 9.578 -1.041 1.00 0.00 O ATOM 1241 CB ARG A 77 -7.117 11.396 1.050 1.00 0.00 C ATOM 1242 CG ARG A 77 -7.850 12.672 0.628 1.00 0.00 C ATOM 1243 CD ARG A 77 -8.193 13.536 1.843 1.00 0.00 C ATOM 1244 NE ARG A 77 -7.774 14.935 1.605 1.00 0.00 N ATOM 1245 CZ ARG A 77 -8.327 15.739 0.687 1.00 0.00 C ATOM 1246 NH1 ARG A 77 -9.326 15.287 -0.085 1.00 0.00 N ATOM 1247 NH2 ARG A 77 -7.883 16.994 0.540 1.00 0.00 N ATOM 0 H ARG A 77 -5.223 12.364 -0.227 1.00 0.00 H new ATOM 0 HA ARG A 77 -6.068 9.747 0.164 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -7.813 10.719 1.545 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -6.341 11.641 1.775 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -7.228 13.241 -0.063 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -8.763 12.411 0.094 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -9.265 13.497 2.036 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -7.695 13.145 2.730 1.00 0.00 H new ATOM 0 HE ARG A 77 -7.017 15.311 2.176 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -9.665 14.331 0.027 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -9.747 15.899 -0.784 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -7.123 17.338 1.127 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -8.305 17.605 -0.159 1.00 0.00 H new ATOM 1261 N LYS A 78 -7.503 11.229 -2.281 1.00 0.00 N ATOM 1262 CA LYS A 78 -8.466 11.105 -3.363 1.00 0.00 C ATOM 1263 C LYS A 78 -7.889 10.195 -4.450 1.00 0.00 C ATOM 1264 O LYS A 78 -8.296 9.041 -4.579 1.00 0.00 O ATOM 1265 CB LYS A 78 -8.879 12.487 -3.873 1.00 0.00 C ATOM 1266 CG LYS A 78 -10.331 12.479 -4.357 1.00 0.00 C ATOM 1267 CD LYS A 78 -10.581 13.611 -5.355 1.00 0.00 C ATOM 1268 CE LYS A 78 -11.883 14.349 -5.032 1.00 0.00 C ATOM 1269 NZ LYS A 78 -13.017 13.740 -5.762 1.00 0.00 N ATOM 0 H LYS A 78 -6.794 11.949 -2.421 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.383 10.635 -3.006 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -8.761 13.223 -3.078 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.221 12.790 -4.688 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -10.557 11.521 -4.824 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -11.003 12.585 -3.505 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -9.746 14.312 -5.332 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -10.630 13.206 -6.366 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -12.072 14.313 -3.959 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -11.790 15.400 -5.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -13.893 14.252 -5.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -12.841 13.796 -6.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -13.115 12.743 -5.482 1.00 0.00 H new ATOM 1283 N GLN A 79 -6.951 10.749 -5.203 1.00 0.00 N ATOM 1284 CA GLN A 79 -6.314 10.002 -6.276 1.00 0.00 C ATOM 1285 C GLN A 79 -6.122 8.542 -5.861 1.00 0.00 C ATOM 1286 O GLN A 79 -6.659 7.636 -6.499 1.00 0.00 O ATOM 1287 CB GLN A 79 -4.981 10.640 -6.671 1.00 0.00 C ATOM 1288 CG GLN A 79 -5.077 11.296 -8.051 1.00 0.00 C ATOM 1289 CD GLN A 79 -5.111 12.822 -7.931 1.00 0.00 C ATOM 1290 OE1 GLN A 79 -5.827 13.392 -7.124 1.00 0.00 O ATOM 1291 NE2 GLN A 79 -4.296 13.448 -8.776 1.00 0.00 N ATOM 0 H GLN A 79 -6.616 11.706 -5.092 1.00 0.00 H new ATOM 0 HA GLN A 79 -6.965 10.029 -7.150 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -4.696 11.385 -5.929 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -4.198 9.882 -6.678 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -4.226 10.994 -8.661 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -5.975 10.948 -8.562 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -3.724 12.909 -9.426 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -4.244 14.467 -8.774 1.00 0.00 H new ATOM 1300 N LYS A 80 -5.353 8.356 -4.799 1.00 0.00 N ATOM 1301 CA LYS A 80 -5.083 7.021 -4.293 1.00 0.00 C ATOM 1302 C LYS A 80 -6.373 6.199 -4.324 1.00 0.00 C ATOM 1303 O LYS A 80 -6.380 5.066 -4.806 1.00 0.00 O ATOM 1304 CB LYS A 80 -4.433 7.093 -2.911 1.00 0.00 C ATOM 1305 CG LYS A 80 -2.946 7.434 -3.021 1.00 0.00 C ATOM 1306 CD LYS A 80 -2.481 8.257 -1.818 1.00 0.00 C ATOM 1307 CE LYS A 80 -0.993 8.597 -1.929 1.00 0.00 C ATOM 1308 NZ LYS A 80 -0.458 9.015 -0.613 1.00 0.00 N ATOM 0 H LYS A 80 -4.908 9.109 -4.274 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.363 6.510 -4.932 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -4.939 7.846 -2.306 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -4.554 6.139 -2.398 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -2.363 6.516 -3.085 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -2.764 7.992 -3.940 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -3.064 9.176 -1.754 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -2.663 7.700 -0.899 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -0.442 7.730 -2.294 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -0.849 9.395 -2.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -0.165 10.012 -0.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -1.195 8.903 0.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 0.362 8.424 -0.368 1.00 0.00 H new ATOM 1322 N GLU A 81 -7.433 6.800 -3.805 1.00 0.00 N ATOM 1323 CA GLU A 81 -8.726 6.137 -3.768 1.00 0.00 C ATOM 1324 C GLU A 81 -9.050 5.529 -5.133 1.00 0.00 C ATOM 1325 O GLU A 81 -9.313 4.333 -5.239 1.00 0.00 O ATOM 1326 CB GLU A 81 -9.824 7.103 -3.322 1.00 0.00 C ATOM 1327 CG GLU A 81 -11.094 6.345 -2.927 1.00 0.00 C ATOM 1328 CD GLU A 81 -11.965 7.185 -1.991 1.00 0.00 C ATOM 1329 OE1 GLU A 81 -11.650 7.199 -0.781 1.00 0.00 O ATOM 1330 OE2 GLU A 81 -12.928 7.794 -2.508 1.00 0.00 O ATOM 0 H GLU A 81 -7.423 7.739 -3.406 1.00 0.00 H new ATOM 0 HA GLU A 81 -8.679 5.331 -3.036 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -9.472 7.695 -2.477 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -10.049 7.801 -4.128 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -11.660 6.086 -3.822 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -10.826 5.409 -2.437 1.00 0.00 H new ATOM 1337 N GLN A 82 -9.022 6.384 -6.146 1.00 0.00 N ATOM 1338 CA GLN A 82 -9.311 5.946 -7.502 1.00 0.00 C ATOM 1339 C GLN A 82 -8.158 5.098 -8.043 1.00 0.00 C ATOM 1340 O GLN A 82 -8.365 3.967 -8.480 1.00 0.00 O ATOM 1341 CB GLN A 82 -9.589 7.140 -8.417 1.00 0.00 C ATOM 1342 CG GLN A 82 -11.080 7.244 -8.743 1.00 0.00 C ATOM 1343 CD GLN A 82 -11.613 5.925 -9.308 1.00 0.00 C ATOM 1344 OE1 GLN A 82 -11.324 5.540 -10.428 1.00 0.00 O ATOM 1345 NE2 GLN A 82 -12.403 5.259 -8.470 1.00 0.00 N ATOM 0 H GLN A 82 -8.804 7.376 -6.055 1.00 0.00 H new ATOM 0 HA GLN A 82 -10.210 5.330 -7.480 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -9.253 8.058 -7.935 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -9.018 7.037 -9.339 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -11.635 7.508 -7.843 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -11.243 8.045 -9.464 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -12.603 5.641 -7.546 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -12.809 4.367 -8.752 1.00 0.00 H new ATOM 1354 N TYR A 83 -6.966 5.677 -7.996 1.00 0.00 N ATOM 1355 CA TYR A 83 -5.781 4.989 -8.476 1.00 0.00 C ATOM 1356 C TYR A 83 -5.856 3.490 -8.175 1.00 0.00 C ATOM 1357 O TYR A 83 -5.595 2.663 -9.048 1.00 0.00 O ATOM 1358 CB TYR A 83 -4.603 5.593 -7.708 1.00 0.00 C ATOM 1359 CG TYR A 83 -3.381 4.677 -7.623 1.00 0.00 C ATOM 1360 CD1 TYR A 83 -3.287 3.744 -6.608 1.00 0.00 C ATOM 1361 CD2 TYR A 83 -2.372 4.782 -8.558 1.00 0.00 C ATOM 1362 CE1 TYR A 83 -2.137 2.881 -6.528 1.00 0.00 C ATOM 1363 CE2 TYR A 83 -1.222 3.920 -8.477 1.00 0.00 C ATOM 1364 CZ TYR A 83 -1.161 3.013 -7.466 1.00 0.00 C ATOM 1365 OH TYR A 83 -0.075 2.198 -7.390 1.00 0.00 O ATOM 0 H TYR A 83 -6.797 6.615 -7.633 1.00 0.00 H new ATOM 0 HA TYR A 83 -5.681 5.105 -9.555 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -4.311 6.528 -8.187 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -4.930 5.841 -6.698 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -4.076 3.662 -5.875 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -2.445 5.511 -9.351 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -2.052 2.146 -5.741 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -0.426 3.992 -9.203 1.00 0.00 H new ATOM 0 HH TYR A 83 -0.231 1.394 -7.928 1.00 0.00 H new ATOM 1375 N LEU A 84 -6.215 3.186 -6.936 1.00 0.00 N ATOM 1376 CA LEU A 84 -6.328 1.802 -6.509 1.00 0.00 C ATOM 1377 C LEU A 84 -7.611 1.198 -7.084 1.00 0.00 C ATOM 1378 O LEU A 84 -7.607 0.068 -7.569 1.00 0.00 O ATOM 1379 CB LEU A 84 -6.229 1.701 -4.986 1.00 0.00 C ATOM 1380 CG LEU A 84 -4.815 1.653 -4.406 1.00 0.00 C ATOM 1381 CD1 LEU A 84 -4.533 2.885 -3.545 1.00 0.00 C ATOM 1382 CD2 LEU A 84 -4.582 0.351 -3.637 1.00 0.00 C ATOM 0 H LEU A 84 -6.431 3.874 -6.215 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.497 1.214 -6.898 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.750 2.554 -4.551 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -6.762 0.805 -4.666 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.106 1.670 -5.234 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.521 2.825 -3.145 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -4.630 3.784 -4.153 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.247 2.925 -2.722 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.569 0.342 -3.235 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -5.298 0.279 -2.818 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.713 -0.497 -4.309 1.00 0.00 H new ATOM 1394 N LYS A 85 -8.678 1.980 -7.011 1.00 0.00 N ATOM 1395 CA LYS A 85 -9.966 1.536 -7.517 1.00 0.00 C ATOM 1396 C LYS A 85 -9.812 1.098 -8.975 1.00 0.00 C ATOM 1397 O LYS A 85 -10.135 -0.037 -9.323 1.00 0.00 O ATOM 1398 CB LYS A 85 -11.026 2.621 -7.310 1.00 0.00 C ATOM 1399 CG LYS A 85 -12.205 2.088 -6.494 1.00 0.00 C ATOM 1400 CD LYS A 85 -12.927 3.223 -5.767 1.00 0.00 C ATOM 1401 CE LYS A 85 -14.443 3.104 -5.934 1.00 0.00 C ATOM 1402 NZ LYS A 85 -15.141 3.734 -4.790 1.00 0.00 N ATOM 0 H LYS A 85 -8.677 2.918 -6.609 1.00 0.00 H new ATOM 0 HA LYS A 85 -10.317 0.669 -6.958 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -10.582 3.475 -6.799 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -11.380 2.977 -8.277 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -12.903 1.571 -7.152 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -11.849 1.356 -5.769 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -12.671 3.202 -4.708 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -12.589 4.183 -6.157 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -14.751 3.582 -6.864 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -14.726 2.054 -6.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -16.169 3.645 -4.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -14.860 3.260 -3.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -14.885 4.741 -4.739 1.00 0.00 H new ATOM 1416 N THR A 86 -9.319 2.020 -9.789 1.00 0.00 N ATOM 1417 CA THR A 86 -9.118 1.743 -11.201 1.00 0.00 C ATOM 1418 C THR A 86 -8.561 0.331 -11.393 1.00 0.00 C ATOM 1419 O THR A 86 -8.795 -0.299 -12.424 1.00 0.00 O ATOM 1420 CB THR A 86 -8.213 2.835 -11.773 1.00 0.00 C ATOM 1421 OG1 THR A 86 -7.063 2.810 -10.933 1.00 0.00 O ATOM 1422 CG2 THR A 86 -8.790 4.238 -11.572 1.00 0.00 C ATOM 0 H THR A 86 -9.053 2.960 -9.497 1.00 0.00 H new ATOM 0 HA THR A 86 -10.062 1.764 -11.746 1.00 0.00 H new ATOM 0 HB THR A 86 -8.056 2.655 -12.837 1.00 0.00 H new ATOM 0 HG1 THR A 86 -6.423 3.488 -11.234 1.00 0.00 H new ATOM 0 HG21 THR A 86 -8.109 4.976 -11.996 1.00 0.00 H new ATOM 0 HG22 THR A 86 -9.757 4.309 -12.070 1.00 0.00 H new ATOM 0 HG23 THR A 86 -8.916 4.430 -10.507 1.00 0.00 H new ATOM 1430 N PHE A 87 -7.834 -0.127 -10.383 1.00 0.00 N ATOM 1431 CA PHE A 87 -7.243 -1.454 -10.428 1.00 0.00 C ATOM 1432 C PHE A 87 -8.100 -2.462 -9.662 1.00 0.00 C ATOM 1433 O PHE A 87 -8.606 -3.422 -10.243 1.00 0.00 O ATOM 1434 CB PHE A 87 -5.872 -1.354 -9.757 1.00 0.00 C ATOM 1435 CG PHE A 87 -5.186 -2.705 -9.540 1.00 0.00 C ATOM 1436 CD1 PHE A 87 -4.491 -3.285 -10.556 1.00 0.00 C ATOM 1437 CD2 PHE A 87 -5.270 -3.324 -8.333 1.00 0.00 C ATOM 1438 CE1 PHE A 87 -3.854 -4.539 -10.354 1.00 0.00 C ATOM 1439 CE2 PHE A 87 -4.633 -4.577 -8.131 1.00 0.00 C ATOM 1440 CZ PHE A 87 -3.939 -5.158 -9.146 1.00 0.00 C ATOM 0 H PHE A 87 -7.641 0.397 -9.530 1.00 0.00 H new ATOM 0 HA PHE A 87 -7.168 -1.794 -11.461 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.225 -0.723 -10.367 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -5.986 -0.857 -8.794 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -4.424 -2.793 -11.515 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -5.821 -2.863 -7.527 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -3.302 -5.001 -11.160 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -4.700 -5.068 -7.172 1.00 0.00 H new ATOM 0 HZ PHE A 87 -3.455 -6.111 -8.993 1.00 0.00 H new ATOM 1450 N HIS A 88 -8.238 -2.213 -8.368 1.00 0.00 N ATOM 1451 CA HIS A 88 -9.026 -3.087 -7.516 1.00 0.00 C ATOM 1452 C HIS A 88 -10.286 -3.530 -8.261 1.00 0.00 C ATOM 1453 O HIS A 88 -10.647 -4.705 -8.234 1.00 0.00 O ATOM 1454 CB HIS A 88 -9.334 -2.410 -6.178 1.00 0.00 C ATOM 1455 CG HIS A 88 -9.971 -3.324 -5.160 1.00 0.00 C ATOM 1456 ND1 HIS A 88 -9.234 -4.045 -4.237 1.00 0.00 N ATOM 1457 CD2 HIS A 88 -11.281 -3.627 -4.929 1.00 0.00 C ATOM 1458 CE1 HIS A 88 -10.073 -4.747 -3.489 1.00 0.00 C ATOM 1459 NE2 HIS A 88 -11.342 -4.487 -3.920 1.00 0.00 N ATOM 0 H HIS A 88 -7.817 -1.417 -7.888 1.00 0.00 H new ATOM 0 HA HIS A 88 -8.452 -3.983 -7.279 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -8.409 -2.010 -5.763 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -9.996 -1.563 -6.355 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -12.126 -3.234 -5.475 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -9.801 -5.409 -2.680 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -12.196 -4.887 -3.531 1.00 0.00 H new ATOM 1467 N LEU A 89 -10.923 -2.564 -8.909 1.00 0.00 N ATOM 1468 CA LEU A 89 -12.135 -2.841 -9.660 1.00 0.00 C ATOM 1469 C LEU A 89 -11.977 -4.167 -10.406 1.00 0.00 C ATOM 1470 O LEU A 89 -12.734 -5.109 -10.173 1.00 0.00 O ATOM 1471 CB LEU A 89 -12.480 -1.661 -10.571 1.00 0.00 C ATOM 1472 CG LEU A 89 -12.944 -0.383 -9.866 1.00 0.00 C ATOM 1473 CD1 LEU A 89 -12.461 0.862 -10.614 1.00 0.00 C ATOM 1474 CD2 LEU A 89 -14.461 -0.383 -9.672 1.00 0.00 C ATOM 0 H LEU A 89 -10.622 -1.590 -8.929 1.00 0.00 H new ATOM 0 HA LEU A 89 -12.984 -2.954 -8.986 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -11.602 -1.423 -11.172 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -13.263 -1.977 -11.261 1.00 0.00 H new ATOM 0 HG LEU A 89 -12.493 -0.358 -8.874 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -12.804 1.756 -10.093 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -11.372 0.862 -10.656 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -12.863 0.856 -11.627 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -14.764 0.536 -9.169 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -14.952 -0.444 -10.643 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -14.750 -1.241 -9.065 1.00 0.00 H new ATOM 1486 N GLU A 90 -10.990 -4.198 -11.289 1.00 0.00 N ATOM 1487 CA GLU A 90 -10.724 -5.394 -12.071 1.00 0.00 C ATOM 1488 C GLU A 90 -10.068 -6.464 -11.197 1.00 0.00 C ATOM 1489 O GLU A 90 -8.883 -6.372 -10.879 1.00 0.00 O ATOM 1490 CB GLU A 90 -9.854 -5.071 -13.287 1.00 0.00 C ATOM 1491 CG GLU A 90 -10.714 -4.850 -14.534 1.00 0.00 C ATOM 1492 CD GLU A 90 -10.596 -3.407 -15.032 1.00 0.00 C ATOM 1493 OE1 GLU A 90 -11.292 -2.547 -14.451 1.00 0.00 O ATOM 1494 OE2 GLU A 90 -9.812 -3.198 -15.984 1.00 0.00 O ATOM 0 H GLU A 90 -10.365 -3.415 -11.480 1.00 0.00 H new ATOM 0 HA GLU A 90 -11.674 -5.784 -12.438 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -9.261 -4.179 -13.087 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -9.153 -5.887 -13.464 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -10.403 -5.537 -15.321 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -11.756 -5.076 -14.307 1.00 0.00 H new