USER MOD reduce.3.24.130724 H: found=0, std=0, add=756, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 759 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: C 21 ASN : amide:sc= -0.907 K(o=-3.3,f=-5) USER MOD Set 1.2: C 52 ASN : amide:sc= -2.44 K(o=-3.3,f=-5!) USER MOD Set 2.1: B 23 ASN : amide:sc= 0.539 K(o=-0.44,f=-1.3) USER MOD Set 2.2: B 26 GLN : amide:sc= -1.99! K(o=-0.44!,f=0.57) USER MOD Set 2.3: B 55 GLN : amide:sc= 1.01 X(o=-0.44,f=-0.72) USER MOD Set 3.1: B 21 ASN : amide:sc= -0.962 X(o=-5.8,f=-5.9) USER MOD Set 3.2: B 52 ASN : amide:sc= -4.83! C(o=-5.8!,f=-12!) USER MOD Set 4.1: A 14 ASN : amide:sc= -2.15 K(o=-2.2,f=-0.14) USER MOD Set 4.2: A 28 SER OG : rot -179:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc= -0.18 X(o=-0.18,f=-0.012) USER MOD Single : A 19 SER OG : rot 90:sc= 1.49 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 22 ASN : amide:sc= -2.07! K(o=-2.1!,f=-0.33) USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 33 SER OG : rot 74:sc= 1.18 USER MOD Single : B 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 40 GLN : amide:sc= -0.107 K(o=-0.11,f=-4.3!) USER MOD Single : B 41 SER OG : rot 180:sc= -0.0882 USER MOD Single : B 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 49 LYS NZ :NH3+ -158:sc= 1.3 (180deg=0.739) USER MOD Single : B 50 LYS NZ :NH3+ 170:sc= -0.0113 (180deg=-0.156) USER MOD Single : C 18 TYR OH : rot 180:sc= 0 USER MOD Single : C 23 ASN : amide:sc= -0.147 X(o=-0.15,f=0) USER MOD Single : C 26 GLN : amide:sc= -2.17 K(o=-2.2,f=-0.46) USER MOD Single : C 32 HIS : no HD1:sc= -2.08! K(o=-2.1!,f=0.66) USER MOD Single : C 33 SER OG : rot 78:sc= 1.22 USER MOD Single : C 35 HIS : no HE2:sc= 1.09 K(o=1.1,f=-4.4!) USER MOD Single : C 39 SER OG : rot 48:sc= 1.24 USER MOD Single : C 40 GLN : amide:sc= 0 X(o=0,f=-5.7e-05) USER MOD Single : C 41 SER OG : rot 130:sc= -0.28 USER MOD Single : C 43 ASN : amide:sc= -0.0721 X(o=-0.072,f=0) USER MOD Single : C 49 LYS NZ :NH3+ -143:sc= 0.471 (180deg=0.0226) USER MOD Single : C 50 LYS NZ :NH3+ -125:sc= 0.353 (180deg=-0.00635) USER MOD Single : C 55 GLN : amide:sc= -1.44 K(o=-1.4,f=-6.3!) USER MOD ----------------------------------------------------------------- ATOM 42 N LEU A 12 11.505 -7.476 4.618 1.00 0.00 N ATOM 43 CA LEU A 12 10.410 -7.400 3.675 1.00 0.00 C ATOM 44 C LEU A 12 9.313 -6.489 4.179 1.00 0.00 C ATOM 45 O LEU A 12 9.422 -5.955 5.272 1.00 0.00 O ATOM 46 CB LEU A 12 9.882 -8.782 3.455 1.00 0.00 C ATOM 47 CG LEU A 12 10.956 -9.758 3.029 1.00 0.00 C ATOM 48 CD1 LEU A 12 10.360 -11.114 2.962 1.00 0.00 C ATOM 49 CD2 LEU A 12 11.561 -9.359 1.690 1.00 0.00 C ATOM 0 HA LEU A 12 10.771 -6.981 2.736 1.00 0.00 H new ATOM 0 HB2 LEU A 12 9.417 -9.139 4.374 1.00 0.00 H new ATOM 0 HB3 LEU A 12 9.102 -8.751 2.694 1.00 0.00 H new ATOM 0 HG LEU A 12 11.766 -9.750 3.758 1.00 0.00 H new ATOM 0 HD11 LEU A 12 11.121 -11.831 2.656 1.00 0.00 H new ATOM 0 HD12 LEU A 12 9.974 -11.391 3.943 1.00 0.00 H new ATOM 0 HD13 LEU A 12 9.546 -11.118 2.238 1.00 0.00 H new ATOM 0 HD21 LEU A 12 12.330 -10.079 1.409 1.00 0.00 H new ATOM 0 HD22 LEU A 12 10.782 -9.345 0.928 1.00 0.00 H new ATOM 0 HD23 LEU A 12 12.005 -8.367 1.773 1.00 0.00 H new ATOM 61 N ALA A 13 8.255 -6.322 3.397 1.00 0.00 N ATOM 62 CA ALA A 13 7.168 -5.442 3.793 1.00 0.00 C ATOM 63 C ALA A 13 5.804 -6.062 3.539 1.00 0.00 C ATOM 64 O ALA A 13 5.575 -6.715 2.524 1.00 0.00 O ATOM 65 CB ALA A 13 7.261 -4.103 3.079 1.00 0.00 C ATOM 0 H ALA A 13 8.128 -6.780 2.494 1.00 0.00 H new ATOM 0 HA ALA A 13 7.273 -5.285 4.867 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.436 -3.465 3.394 1.00 0.00 H new ATOM 0 HB2 ALA A 13 8.207 -3.623 3.329 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.207 -4.261 2.002 1.00 0.00 H new ATOM 71 N ASN A 14 4.918 -5.862 4.496 1.00 0.00 N ATOM 72 CA ASN A 14 3.512 -6.198 4.351 1.00 0.00 C ATOM 73 C ASN A 14 2.736 -4.914 4.115 1.00 0.00 C ATOM 74 O ASN A 14 3.166 -3.845 4.548 1.00 0.00 O ATOM 75 CB ASN A 14 2.970 -6.901 5.608 1.00 0.00 C ATOM 76 CG ASN A 14 3.416 -8.350 5.746 1.00 0.00 C ATOM 77 OD1 ASN A 14 2.706 -9.170 6.330 1.00 0.00 O ATOM 78 ND2 ASN A 14 4.584 -8.680 5.219 1.00 0.00 N ATOM 0 H ASN A 14 5.154 -5.459 5.403 1.00 0.00 H new ATOM 0 HA ASN A 14 3.397 -6.882 3.511 1.00 0.00 H new ATOM 0 HB2 ASN A 14 3.292 -6.347 6.490 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.881 -6.867 5.590 1.00 0.00 H new ATOM 0 HD21 ASN A 14 4.922 -9.640 5.289 1.00 0.00 H new ATOM 0 HD22 ASN A 14 5.146 -7.975 4.742 1.00 0.00 H new ATOM 85 N PHE A 15 1.610 -5.003 3.437 1.00 0.00 N ATOM 86 CA PHE A 15 0.797 -3.824 3.189 1.00 0.00 C ATOM 87 C PHE A 15 -0.422 -3.865 4.090 1.00 0.00 C ATOM 88 O PHE A 15 -1.306 -4.696 3.913 1.00 0.00 O ATOM 89 CB PHE A 15 0.363 -3.758 1.720 1.00 0.00 C ATOM 90 CG PHE A 15 -0.320 -2.468 1.349 1.00 0.00 C ATOM 91 CD1 PHE A 15 -1.664 -2.270 1.627 1.00 0.00 C ATOM 92 CD2 PHE A 15 0.388 -1.451 0.729 1.00 0.00 C ATOM 93 CE1 PHE A 15 -2.288 -1.082 1.295 1.00 0.00 C ATOM 94 CE2 PHE A 15 -0.231 -0.262 0.394 1.00 0.00 C ATOM 95 CZ PHE A 15 -1.571 -0.077 0.679 1.00 0.00 C ATOM 0 H PHE A 15 1.237 -5.870 3.050 1.00 0.00 H new ATOM 0 HA PHE A 15 1.388 -2.934 3.405 1.00 0.00 H new ATOM 0 HB2 PHE A 15 1.239 -3.891 1.085 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -0.311 -4.589 1.512 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -2.230 -3.053 2.109 1.00 0.00 H new ATOM 0 HD2 PHE A 15 1.435 -1.589 0.505 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -3.335 -0.941 1.518 1.00 0.00 H new ATOM 0 HE2 PHE A 15 0.332 0.522 -0.090 1.00 0.00 H new ATOM 0 HZ PHE A 15 -2.056 0.853 0.420 1.00 0.00 H new ATOM 105 N LEU A 16 -0.458 -2.983 5.069 1.00 0.00 N ATOM 106 CA LEU A 16 -1.551 -2.960 6.015 1.00 0.00 C ATOM 107 C LEU A 16 -2.354 -1.689 5.839 1.00 0.00 C ATOM 108 O LEU A 16 -1.896 -0.735 5.213 1.00 0.00 O ATOM 109 CB LEU A 16 -1.034 -3.072 7.458 1.00 0.00 C ATOM 110 CG LEU A 16 -0.597 -1.764 8.132 1.00 0.00 C ATOM 111 CD1 LEU A 16 -0.042 -2.051 9.519 1.00 0.00 C ATOM 112 CD2 LEU A 16 0.430 -1.024 7.312 1.00 0.00 C ATOM 0 H LEU A 16 0.258 -2.274 5.229 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.194 -3.819 5.822 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.817 -3.525 8.067 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.188 -3.759 7.465 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.478 -1.127 8.214 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.265 -1.116 9.989 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.811 -2.527 10.127 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.818 -2.715 9.436 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.712 -0.105 7.825 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.312 -1.651 7.181 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.010 -0.781 6.336 1.00 0.00 H new ATOM 124 N VAL A 17 -3.547 -1.670 6.377 1.00 0.00 N ATOM 125 CA VAL A 17 -4.375 -0.501 6.289 1.00 0.00 C ATOM 126 C VAL A 17 -5.294 -0.380 7.492 1.00 0.00 C ATOM 127 O VAL A 17 -5.973 -1.334 7.877 1.00 0.00 O ATOM 128 CB VAL A 17 -5.193 -0.500 4.982 1.00 0.00 C ATOM 129 CG1 VAL A 17 -5.805 -1.856 4.715 1.00 0.00 C ATOM 130 CG2 VAL A 17 -6.271 0.557 5.036 1.00 0.00 C ATOM 0 H VAL A 17 -3.964 -2.453 6.880 1.00 0.00 H new ATOM 0 HA VAL A 17 -3.715 0.366 6.282 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.512 -0.270 4.163 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -6.375 -1.821 3.787 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -5.014 -2.601 4.628 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -6.468 -2.125 5.538 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -6.839 0.545 4.106 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -6.939 0.353 5.872 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.813 1.537 5.169 1.00 0.00 H new ATOM 140 N HIS A 18 -5.275 0.794 8.100 1.00 0.00 N ATOM 141 CA HIS A 18 -6.205 1.122 9.159 1.00 0.00 C ATOM 142 C HIS A 18 -7.506 1.575 8.504 1.00 0.00 C ATOM 143 O HIS A 18 -7.543 2.619 7.853 1.00 0.00 O ATOM 144 CB HIS A 18 -5.621 2.207 10.070 1.00 0.00 C ATOM 145 CG HIS A 18 -6.461 2.502 11.278 1.00 0.00 C ATOM 146 ND1 HIS A 18 -6.883 3.766 11.613 1.00 0.00 N ATOM 147 CD2 HIS A 18 -6.937 1.683 12.247 1.00 0.00 C ATOM 148 CE1 HIS A 18 -7.582 3.715 12.730 1.00 0.00 C ATOM 149 NE2 HIS A 18 -7.631 2.462 13.137 1.00 0.00 N ATOM 0 H HIS A 18 -4.618 1.540 7.873 1.00 0.00 H new ATOM 0 HA HIS A 18 -6.395 0.254 9.791 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -4.628 1.898 10.396 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -5.496 3.124 9.493 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -6.796 0.614 12.307 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -8.038 4.558 13.228 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -8.106 2.127 13.975 1.00 0.00 H new ATOM 158 N SER A 19 -8.549 0.770 8.702 1.00 0.00 N ATOM 159 CA SER A 19 -9.784 0.786 7.906 1.00 0.00 C ATOM 160 C SER A 19 -10.203 2.144 7.335 1.00 0.00 C ATOM 161 O SER A 19 -10.470 2.244 6.140 1.00 0.00 O ATOM 162 CB SER A 19 -10.932 0.231 8.744 1.00 0.00 C ATOM 163 OG SER A 19 -10.647 -1.079 9.201 1.00 0.00 O ATOM 0 H SER A 19 -8.562 0.067 9.441 1.00 0.00 H new ATOM 0 HA SER A 19 -9.560 0.167 7.037 1.00 0.00 H new ATOM 0 HB2 SER A 19 -11.112 0.885 9.597 1.00 0.00 H new ATOM 0 HB3 SER A 19 -11.847 0.221 8.151 1.00 0.00 H new ATOM 0 HG SER A 19 -10.197 -1.032 10.070 1.00 0.00 H new ATOM 169 N SER A 20 -10.267 3.179 8.159 1.00 0.00 N ATOM 170 CA SER A 20 -10.952 4.396 7.748 1.00 0.00 C ATOM 171 C SER A 20 -10.189 5.201 6.687 1.00 0.00 C ATOM 172 O SER A 20 -10.734 5.472 5.616 1.00 0.00 O ATOM 173 CB SER A 20 -11.218 5.267 8.975 1.00 0.00 C ATOM 174 OG SER A 20 -11.921 4.536 9.968 1.00 0.00 O ATOM 0 H SER A 20 -9.863 3.203 9.095 1.00 0.00 H new ATOM 0 HA SER A 20 -11.889 4.091 7.283 1.00 0.00 H new ATOM 0 HB2 SER A 20 -10.274 5.627 9.383 1.00 0.00 H new ATOM 0 HB3 SER A 20 -11.796 6.145 8.685 1.00 0.00 H new ATOM 0 HG SER A 20 -12.080 5.110 10.746 1.00 0.00 H new ATOM 180 N ASN A 21 -8.941 5.570 6.962 1.00 0.00 N ATOM 181 CA ASN A 21 -8.219 6.471 6.056 1.00 0.00 C ATOM 182 C ASN A 21 -6.787 6.026 5.773 1.00 0.00 C ATOM 183 O ASN A 21 -6.258 6.262 4.687 1.00 0.00 O ATOM 184 CB ASN A 21 -8.175 7.891 6.636 1.00 0.00 C ATOM 185 CG ASN A 21 -9.539 8.556 6.722 1.00 0.00 C ATOM 186 OD1 ASN A 21 -10.423 8.314 5.900 1.00 0.00 O ATOM 187 ND2 ASN A 21 -9.713 9.408 7.722 1.00 0.00 N ATOM 0 H ASN A 21 -8.415 5.270 7.783 1.00 0.00 H new ATOM 0 HA ASN A 21 -8.770 6.448 5.116 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -7.735 7.854 7.632 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.519 8.506 6.020 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -10.605 9.891 7.831 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -8.955 9.581 8.382 1.00 0.00 H new ATOM 194 N ASN A 22 -6.157 5.381 6.742 1.00 0.00 N ATOM 195 CA ASN A 22 -4.704 5.252 6.728 1.00 0.00 C ATOM 196 C ASN A 22 -4.229 3.898 6.220 1.00 0.00 C ATOM 197 O ASN A 22 -4.043 2.962 6.998 1.00 0.00 O ATOM 198 CB ASN A 22 -4.137 5.512 8.129 1.00 0.00 C ATOM 199 CG ASN A 22 -4.346 6.945 8.588 1.00 0.00 C ATOM 200 OD1 ASN A 22 -5.397 7.289 9.125 1.00 0.00 O ATOM 201 ND2 ASN A 22 -3.339 7.782 8.409 1.00 0.00 N ATOM 0 H ASN A 22 -6.619 4.943 7.539 1.00 0.00 H new ATOM 0 HA ASN A 22 -4.331 6.001 6.029 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -4.610 4.834 8.840 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -3.071 5.285 8.133 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -3.419 8.750 8.721 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -2.482 7.460 7.959 1.00 0.00 H new ATOM 208 N PHE A 23 -4.028 3.801 4.913 1.00 0.00 N ATOM 209 CA PHE A 23 -3.367 2.659 4.328 1.00 0.00 C ATOM 210 C PHE A 23 -1.862 2.867 4.372 1.00 0.00 C ATOM 211 O PHE A 23 -1.381 3.993 4.218 1.00 0.00 O ATOM 212 CB PHE A 23 -3.838 2.439 2.886 1.00 0.00 C ATOM 213 CG PHE A 23 -3.973 3.696 2.063 1.00 0.00 C ATOM 214 CD1 PHE A 23 -5.135 4.452 2.124 1.00 0.00 C ATOM 215 CD2 PHE A 23 -2.951 4.118 1.220 1.00 0.00 C ATOM 216 CE1 PHE A 23 -5.274 5.599 1.369 1.00 0.00 C ATOM 217 CE2 PHE A 23 -3.088 5.266 0.464 1.00 0.00 C ATOM 218 CZ PHE A 23 -4.249 6.007 0.540 1.00 0.00 C ATOM 0 H PHE A 23 -4.319 4.509 4.239 1.00 0.00 H new ATOM 0 HA PHE A 23 -3.622 1.769 4.903 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -3.136 1.770 2.388 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -4.802 1.931 2.908 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -5.941 4.139 2.771 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -2.040 3.542 1.156 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -6.185 6.177 1.427 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -2.286 5.583 -0.186 1.00 0.00 H new ATOM 0 HZ PHE A 23 -4.356 6.906 -0.049 1.00 0.00 H new ATOM 228 N GLY A 24 -1.118 1.804 4.614 1.00 0.00 N ATOM 229 CA GLY A 24 0.317 1.940 4.677 1.00 0.00 C ATOM 230 C GLY A 24 1.053 0.643 4.442 1.00 0.00 C ATOM 231 O GLY A 24 0.579 -0.238 3.729 1.00 0.00 O ATOM 0 H GLY A 24 -1.476 0.861 4.766 1.00 0.00 H new ATOM 0 HA2 GLY A 24 0.638 2.671 3.935 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.595 2.335 5.654 1.00 0.00 H new ATOM 235 N ALA A 25 2.208 0.526 5.070 1.00 0.00 N ATOM 236 CA ALA A 25 3.060 -0.624 4.914 1.00 0.00 C ATOM 237 C ALA A 25 3.748 -0.922 6.223 1.00 0.00 C ATOM 238 O ALA A 25 3.627 -0.162 7.177 1.00 0.00 O ATOM 239 CB ALA A 25 4.070 -0.390 3.801 1.00 0.00 C ATOM 0 H ALA A 25 2.578 1.233 5.705 1.00 0.00 H new ATOM 0 HA ALA A 25 2.456 -1.487 4.635 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.706 -1.269 3.696 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.543 -0.209 2.864 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.685 0.476 4.044 1.00 0.00 H new ATOM 245 N ILE A 26 4.427 -2.039 6.282 1.00 0.00 N ATOM 246 CA ILE A 26 5.115 -2.441 7.486 1.00 0.00 C ATOM 247 C ILE A 26 6.178 -3.472 7.161 1.00 0.00 C ATOM 248 O ILE A 26 5.924 -4.434 6.444 1.00 0.00 O ATOM 249 CB ILE A 26 4.129 -2.987 8.531 1.00 0.00 C ATOM 250 CG1 ILE A 26 4.881 -3.512 9.754 1.00 0.00 C ATOM 251 CG2 ILE A 26 3.251 -4.076 7.932 1.00 0.00 C ATOM 252 CD1 ILE A 26 3.983 -3.739 10.937 1.00 0.00 C ATOM 0 H ILE A 26 4.519 -2.692 5.504 1.00 0.00 H new ATOM 0 HA ILE A 26 5.599 -1.563 7.913 1.00 0.00 H new ATOM 0 HB ILE A 26 3.482 -2.169 8.849 1.00 0.00 H new ATOM 0 HG12 ILE A 26 5.377 -4.447 9.496 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.662 -2.802 10.027 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.562 -4.446 8.691 1.00 0.00 H new ATOM 0 HG22 ILE A 26 2.684 -3.667 7.096 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.877 -4.896 7.580 1.00 0.00 H new ATOM 0 HD11 ILE A 26 4.572 -4.112 11.775 1.00 0.00 H new ATOM 0 HD12 ILE A 26 3.506 -2.800 11.218 1.00 0.00 H new ATOM 0 HD13 ILE A 26 3.218 -4.471 10.678 1.00 0.00 H new ATOM 264 N LEU A 27 7.359 -3.271 7.697 1.00 0.00 N ATOM 265 CA LEU A 27 8.480 -4.130 7.401 1.00 0.00 C ATOM 266 C LEU A 27 8.503 -5.328 8.317 1.00 0.00 C ATOM 267 O LEU A 27 7.954 -5.311 9.417 1.00 0.00 O ATOM 268 CB LEU A 27 9.788 -3.365 7.499 1.00 0.00 C ATOM 269 CG LEU A 27 10.025 -2.347 6.388 1.00 0.00 C ATOM 270 CD1 LEU A 27 11.385 -1.732 6.543 1.00 0.00 C ATOM 271 CD2 LEU A 27 9.925 -3.000 5.030 1.00 0.00 C ATOM 0 H LEU A 27 7.569 -2.513 8.346 1.00 0.00 H new ATOM 0 HA LEU A 27 8.364 -4.486 6.377 1.00 0.00 H new ATOM 0 HB2 LEU A 27 9.818 -2.847 8.458 1.00 0.00 H new ATOM 0 HB3 LEU A 27 10.611 -4.080 7.497 1.00 0.00 H new ATOM 0 HG LEU A 27 9.259 -1.575 6.464 1.00 0.00 H new ATOM 0 HD11 LEU A 27 11.549 -1.006 5.747 1.00 0.00 H new ATOM 0 HD12 LEU A 27 11.450 -1.232 7.509 1.00 0.00 H new ATOM 0 HD13 LEU A 27 12.145 -2.511 6.486 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.098 -2.254 4.254 1.00 0.00 H new ATOM 0 HD22 LEU A 27 10.674 -3.788 4.949 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.931 -3.430 4.905 1.00 0.00 H new ATOM 283 N SER A 28 9.111 -6.376 7.823 1.00 0.00 N ATOM 284 CA SER A 28 9.099 -7.662 8.487 1.00 0.00 C ATOM 285 C SER A 28 10.515 -8.179 8.654 1.00 0.00 C ATOM 286 O SER A 28 11.356 -8.014 7.765 1.00 0.00 O ATOM 287 CB SER A 28 8.267 -8.663 7.680 1.00 0.00 C ATOM 288 OG SER A 28 6.947 -8.185 7.471 1.00 0.00 O ATOM 0 H SER A 28 9.631 -6.365 6.946 1.00 0.00 H new ATOM 0 HA SER A 28 8.650 -7.543 9.473 1.00 0.00 H new ATOM 0 HB2 SER A 28 8.746 -8.846 6.718 1.00 0.00 H new ATOM 0 HB3 SER A 28 8.232 -9.617 8.206 1.00 0.00 H new ATOM 0 HG SER A 28 6.434 -8.850 6.966 1.00 0.00 H new ATOM 334 N GLU B 15 -10.328 -1.555 11.904 1.00 0.00 N ATOM 335 CA GLU B 15 -9.234 -2.458 12.215 1.00 0.00 C ATOM 336 C GLU B 15 -8.038 -2.133 11.331 1.00 0.00 C ATOM 337 O GLU B 15 -8.086 -1.201 10.530 1.00 0.00 O ATOM 338 CB GLU B 15 -9.674 -3.907 11.981 1.00 0.00 C ATOM 339 CG GLU B 15 -9.972 -4.226 10.522 1.00 0.00 C ATOM 340 CD GLU B 15 -10.381 -5.666 10.304 1.00 0.00 C ATOM 341 OE1 GLU B 15 -9.578 -6.568 10.612 1.00 0.00 O ATOM 342 OE2 GLU B 15 -11.502 -5.905 9.801 1.00 0.00 O ATOM 0 HA GLU B 15 -8.953 -2.336 13.261 1.00 0.00 H new ATOM 0 HB2 GLU B 15 -8.892 -4.577 12.338 1.00 0.00 H new ATOM 0 HB3 GLU B 15 -10.564 -4.108 12.577 1.00 0.00 H new ATOM 0 HG2 GLU B 15 -10.767 -3.570 10.168 1.00 0.00 H new ATOM 0 HG3 GLU B 15 -9.089 -4.010 9.921 1.00 0.00 H new ATOM 349 N ILE B 16 -6.957 -2.872 11.499 1.00 0.00 N ATOM 350 CA ILE B 16 -5.827 -2.768 10.600 1.00 0.00 C ATOM 351 C ILE B 16 -5.583 -4.100 9.915 1.00 0.00 C ATOM 352 O ILE B 16 -5.174 -5.072 10.550 1.00 0.00 O ATOM 353 CB ILE B 16 -4.562 -2.335 11.348 1.00 0.00 C ATOM 354 CG1 ILE B 16 -4.847 -1.062 12.130 1.00 0.00 C ATOM 355 CG2 ILE B 16 -3.415 -2.120 10.372 1.00 0.00 C ATOM 356 CD1 ILE B 16 -3.759 -0.700 13.099 1.00 0.00 C ATOM 0 H ILE B 16 -6.839 -3.551 12.251 1.00 0.00 H new ATOM 0 HA ILE B 16 -6.061 -2.010 9.852 1.00 0.00 H new ATOM 0 HB ILE B 16 -4.269 -3.121 12.044 1.00 0.00 H new ATOM 0 HG12 ILE B 16 -4.988 -0.239 11.430 1.00 0.00 H new ATOM 0 HG13 ILE B 16 -5.783 -1.181 12.675 1.00 0.00 H new ATOM 0 HG21 ILE B 16 -2.524 -1.813 10.920 1.00 0.00 H new ATOM 0 HG22 ILE B 16 -3.211 -3.049 9.840 1.00 0.00 H new ATOM 0 HG23 ILE B 16 -3.687 -1.344 9.657 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -4.028 0.218 13.622 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -3.633 -1.506 13.822 1.00 0.00 H new ATOM 0 HD13 ILE B 16 -2.825 -0.549 12.558 1.00 0.00 H new ATOM 368 N VAL B 17 -5.855 -4.150 8.624 1.00 0.00 N ATOM 369 CA VAL B 17 -5.691 -5.379 7.870 1.00 0.00 C ATOM 370 C VAL B 17 -4.397 -5.390 7.076 1.00 0.00 C ATOM 371 O VAL B 17 -4.130 -4.499 6.275 1.00 0.00 O ATOM 372 CB VAL B 17 -6.877 -5.658 6.927 1.00 0.00 C ATOM 373 CG1 VAL B 17 -7.952 -6.433 7.666 1.00 0.00 C ATOM 374 CG2 VAL B 17 -7.452 -4.375 6.358 1.00 0.00 C ATOM 0 H VAL B 17 -6.189 -3.357 8.077 1.00 0.00 H new ATOM 0 HA VAL B 17 -5.654 -6.175 8.614 1.00 0.00 H new ATOM 0 HB VAL B 17 -6.510 -6.254 6.091 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -8.788 -6.627 6.994 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -7.542 -7.380 8.017 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -8.300 -5.850 8.519 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -8.286 -4.612 5.698 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -7.802 -3.741 7.172 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -6.681 -3.849 5.794 1.00 0.00 H new ATOM 384 N TYR B 18 -3.590 -6.398 7.344 1.00 0.00 N ATOM 385 CA TYR B 18 -2.362 -6.643 6.604 1.00 0.00 C ATOM 386 C TYR B 18 -2.655 -7.538 5.405 1.00 0.00 C ATOM 387 O TYR B 18 -2.953 -8.720 5.571 1.00 0.00 O ATOM 388 CB TYR B 18 -1.322 -7.338 7.492 1.00 0.00 C ATOM 389 CG TYR B 18 -1.011 -6.633 8.797 1.00 0.00 C ATOM 390 CD1 TYR B 18 -1.884 -6.709 9.876 1.00 0.00 C ATOM 391 CD2 TYR B 18 0.168 -5.918 8.960 1.00 0.00 C ATOM 392 CE1 TYR B 18 -1.590 -6.091 11.076 1.00 0.00 C ATOM 393 CE2 TYR B 18 0.466 -5.297 10.153 1.00 0.00 C ATOM 394 CZ TYR B 18 -0.415 -5.388 11.209 1.00 0.00 C ATOM 395 OH TYR B 18 -0.118 -4.775 12.405 1.00 0.00 O ATOM 0 H TYR B 18 -3.767 -7.076 8.086 1.00 0.00 H new ATOM 0 HA TYR B 18 -1.967 -5.683 6.272 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -1.675 -8.345 7.717 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -0.397 -7.444 6.925 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -2.807 -7.260 9.775 1.00 0.00 H new ATOM 0 HD2 TYR B 18 0.864 -5.847 8.137 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -2.279 -6.159 11.905 1.00 0.00 H new ATOM 0 HE2 TYR B 18 1.386 -4.741 10.260 1.00 0.00 H new ATOM 0 HH TYR B 18 0.748 -4.322 12.334 1.00 0.00 H new ATOM 405 N LEU B 19 -2.584 -6.980 4.210 1.00 0.00 N ATOM 406 CA LEU B 19 -2.779 -7.753 2.992 1.00 0.00 C ATOM 407 C LEU B 19 -1.562 -7.608 2.077 1.00 0.00 C ATOM 408 O LEU B 19 -1.533 -6.762 1.184 1.00 0.00 O ATOM 409 CB LEU B 19 -4.057 -7.294 2.273 1.00 0.00 C ATOM 410 CG LEU B 19 -4.335 -5.801 2.340 1.00 0.00 C ATOM 411 CD1 LEU B 19 -4.827 -5.344 0.999 1.00 0.00 C ATOM 412 CD2 LEU B 19 -5.366 -5.490 3.415 1.00 0.00 C ATOM 0 H LEU B 19 -2.392 -5.990 4.054 1.00 0.00 H new ATOM 0 HA LEU B 19 -2.890 -8.805 3.253 1.00 0.00 H new ATOM 0 HB2 LEU B 19 -3.992 -7.589 1.226 1.00 0.00 H new ATOM 0 HB3 LEU B 19 -4.907 -7.825 2.701 1.00 0.00 H new ATOM 0 HG LEU B 19 -3.417 -5.273 2.599 1.00 0.00 H new ATOM 0 HD11 LEU B 19 -5.031 -4.274 1.032 1.00 0.00 H new ATOM 0 HD12 LEU B 19 -4.067 -5.546 0.244 1.00 0.00 H new ATOM 0 HD13 LEU B 19 -5.741 -5.880 0.745 1.00 0.00 H new ATOM 0 HD21 LEU B 19 -5.549 -4.416 3.444 1.00 0.00 H new ATOM 0 HD22 LEU B 19 -6.297 -6.010 3.188 1.00 0.00 H new ATOM 0 HD23 LEU B 19 -4.992 -5.821 4.384 1.00 0.00 H new ATOM 424 N PRO B 20 -0.539 -8.451 2.287 1.00 0.00 N ATOM 425 CA PRO B 20 0.707 -8.406 1.524 1.00 0.00 C ATOM 426 C PRO B 20 0.689 -9.305 0.292 1.00 0.00 C ATOM 427 O PRO B 20 1.592 -9.248 -0.542 1.00 0.00 O ATOM 428 CB PRO B 20 1.707 -8.932 2.541 1.00 0.00 C ATOM 429 CG PRO B 20 0.943 -9.967 3.299 1.00 0.00 C ATOM 430 CD PRO B 20 -0.496 -9.509 3.318 1.00 0.00 C ATOM 0 HA PRO B 20 0.919 -7.412 1.130 1.00 0.00 H new ATOM 0 HB2 PRO B 20 2.583 -9.360 2.054 1.00 0.00 H new ATOM 0 HB3 PRO B 20 2.063 -8.138 3.198 1.00 0.00 H new ATOM 0 HG2 PRO B 20 1.033 -10.943 2.822 1.00 0.00 H new ATOM 0 HG3 PRO B 20 1.331 -10.071 4.312 1.00 0.00 H new ATOM 0 HD2 PRO B 20 -1.179 -10.325 3.083 1.00 0.00 H new ATOM 0 HD3 PRO B 20 -0.782 -9.126 4.298 1.00 0.00 H new ATOM 438 N ASN B 21 -0.350 -10.118 0.173 1.00 0.00 N ATOM 439 CA ASN B 21 -0.386 -11.161 -0.848 1.00 0.00 C ATOM 440 C ASN B 21 -1.047 -10.654 -2.113 1.00 0.00 C ATOM 441 O ASN B 21 -1.242 -11.402 -3.072 1.00 0.00 O ATOM 442 CB ASN B 21 -1.126 -12.397 -0.332 1.00 0.00 C ATOM 443 CG ASN B 21 -0.385 -13.095 0.793 1.00 0.00 C ATOM 444 OD1 ASN B 21 0.847 -13.101 0.839 1.00 0.00 O ATOM 445 ND2 ASN B 21 -1.133 -13.681 1.714 1.00 0.00 N ATOM 0 H ASN B 21 -1.178 -10.078 0.767 1.00 0.00 H new ATOM 0 HA ASN B 21 0.642 -11.438 -1.079 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -2.116 -12.103 0.017 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -1.273 -13.097 -1.154 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -0.693 -14.161 2.499 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -2.150 -13.653 1.639 1.00 0.00 H new ATOM 452 N LEU B 22 -1.382 -9.378 -2.113 1.00 0.00 N ATOM 453 CA LEU B 22 -2.034 -8.773 -3.254 1.00 0.00 C ATOM 454 C LEU B 22 -1.067 -8.565 -4.391 1.00 0.00 C ATOM 455 O LEU B 22 0.134 -8.380 -4.188 1.00 0.00 O ATOM 456 CB LEU B 22 -2.641 -7.422 -2.896 1.00 0.00 C ATOM 457 CG LEU B 22 -3.826 -7.453 -1.945 1.00 0.00 C ATOM 458 CD1 LEU B 22 -4.595 -6.160 -2.050 1.00 0.00 C ATOM 459 CD2 LEU B 22 -4.736 -8.617 -2.233 1.00 0.00 C ATOM 0 H LEU B 22 -1.212 -8.742 -1.334 1.00 0.00 H new ATOM 0 HA LEU B 22 -2.822 -9.461 -3.560 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -1.862 -6.802 -2.453 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -2.953 -6.931 -3.818 1.00 0.00 H new ATOM 0 HG LEU B 22 -3.443 -7.572 -0.931 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -5.444 -6.185 -1.367 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -3.943 -5.327 -1.788 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -4.954 -6.032 -3.071 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -5.572 -8.607 -1.534 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -5.115 -8.539 -3.252 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -4.181 -9.549 -2.122 1.00 0.00 H new ATOM 471 N ASN B 23 -1.610 -8.593 -5.589 1.00 0.00 N ATOM 472 CA ASN B 23 -0.850 -8.214 -6.768 1.00 0.00 C ATOM 473 C ASN B 23 -0.640 -6.708 -6.747 1.00 0.00 C ATOM 474 O ASN B 23 -1.541 -5.971 -6.335 1.00 0.00 O ATOM 475 CB ASN B 23 -1.585 -8.600 -8.056 1.00 0.00 C ATOM 476 CG ASN B 23 -1.940 -10.070 -8.120 1.00 0.00 C ATOM 477 OD1 ASN B 23 -1.253 -10.913 -7.550 1.00 0.00 O ATOM 478 ND2 ASN B 23 -3.023 -10.384 -8.812 1.00 0.00 N ATOM 0 H ASN B 23 -2.573 -8.873 -5.776 1.00 0.00 H new ATOM 0 HA ASN B 23 0.104 -8.741 -6.751 1.00 0.00 H new ATOM 0 HB2 ASN B 23 -2.497 -8.008 -8.138 1.00 0.00 H new ATOM 0 HB3 ASN B 23 -0.962 -8.345 -8.913 1.00 0.00 H new ATOM 0 HD21 ASN B 23 -3.316 -11.358 -8.887 1.00 0.00 H new ATOM 0 HD22 ASN B 23 -3.565 -9.652 -9.270 1.00 0.00 H new ATOM 485 N PRO B 24 0.538 -6.225 -7.164 1.00 0.00 N ATOM 486 CA PRO B 24 0.814 -4.787 -7.264 1.00 0.00 C ATOM 487 C PRO B 24 -0.289 -4.045 -8.011 1.00 0.00 C ATOM 488 O PRO B 24 -0.699 -2.948 -7.625 1.00 0.00 O ATOM 489 CB PRO B 24 2.121 -4.745 -8.054 1.00 0.00 C ATOM 490 CG PRO B 24 2.804 -6.016 -7.694 1.00 0.00 C ATOM 491 CD PRO B 24 1.709 -7.038 -7.548 1.00 0.00 C ATOM 0 HA PRO B 24 0.872 -4.303 -6.289 1.00 0.00 H new ATOM 0 HB2 PRO B 24 1.937 -4.682 -9.126 1.00 0.00 H new ATOM 0 HB3 PRO B 24 2.723 -3.878 -7.782 1.00 0.00 H new ATOM 0 HG2 PRO B 24 3.515 -6.311 -8.466 1.00 0.00 H new ATOM 0 HG3 PRO B 24 3.367 -5.909 -6.767 1.00 0.00 H new ATOM 0 HD2 PRO B 24 1.536 -7.579 -8.479 1.00 0.00 H new ATOM 0 HD3 PRO B 24 1.950 -7.781 -6.788 1.00 0.00 H new ATOM 499 N ASP B 25 -0.771 -4.671 -9.076 1.00 0.00 N ATOM 500 CA ASP B 25 -1.874 -4.138 -9.868 1.00 0.00 C ATOM 501 C ASP B 25 -3.121 -3.953 -9.011 1.00 0.00 C ATOM 502 O ASP B 25 -3.823 -2.951 -9.131 1.00 0.00 O ATOM 503 CB ASP B 25 -2.192 -5.079 -11.032 1.00 0.00 C ATOM 504 CG ASP B 25 -0.983 -5.366 -11.894 1.00 0.00 C ATOM 505 OD1 ASP B 25 -0.185 -6.252 -11.522 1.00 0.00 O ATOM 506 OD2 ASP B 25 -0.820 -4.708 -12.941 1.00 0.00 O ATOM 0 H ASP B 25 -0.410 -5.562 -9.416 1.00 0.00 H new ATOM 0 HA ASP B 25 -1.569 -3.167 -10.257 1.00 0.00 H new ATOM 0 HB2 ASP B 25 -2.585 -6.017 -10.639 1.00 0.00 H new ATOM 0 HB3 ASP B 25 -2.976 -4.638 -11.647 1.00 0.00 H new ATOM 511 N GLN B 26 -3.378 -4.918 -8.132 1.00 0.00 N ATOM 512 CA GLN B 26 -4.561 -4.880 -7.279 1.00 0.00 C ATOM 513 C GLN B 26 -4.451 -3.777 -6.240 1.00 0.00 C ATOM 514 O GLN B 26 -5.423 -3.087 -5.975 1.00 0.00 O ATOM 515 CB GLN B 26 -4.791 -6.221 -6.590 1.00 0.00 C ATOM 516 CG GLN B 26 -5.188 -7.333 -7.544 1.00 0.00 C ATOM 517 CD GLN B 26 -5.404 -8.655 -6.838 1.00 0.00 C ATOM 518 OE1 GLN B 26 -6.167 -9.504 -7.297 1.00 0.00 O ATOM 519 NE2 GLN B 26 -4.749 -8.828 -5.703 1.00 0.00 N ATOM 0 H GLN B 26 -2.783 -5.735 -7.992 1.00 0.00 H new ATOM 0 HA GLN B 26 -5.416 -4.671 -7.922 1.00 0.00 H new ATOM 0 HB2 GLN B 26 -3.881 -6.511 -6.065 1.00 0.00 H new ATOM 0 HB3 GLN B 26 -5.570 -6.104 -5.837 1.00 0.00 H new ATOM 0 HG2 GLN B 26 -6.102 -7.050 -8.066 1.00 0.00 H new ATOM 0 HG3 GLN B 26 -4.413 -7.452 -8.301 1.00 0.00 H new ATOM 0 HE21 GLN B 26 -4.126 -8.098 -5.358 1.00 0.00 H new ATOM 0 HE22 GLN B 26 -4.867 -9.691 -5.173 1.00 0.00 H new ATOM 528 N LEU B 27 -3.272 -3.614 -5.642 1.00 0.00 N ATOM 529 CA LEU B 27 -3.047 -2.507 -4.718 1.00 0.00 C ATOM 530 C LEU B 27 -3.253 -1.187 -5.438 1.00 0.00 C ATOM 531 O LEU B 27 -3.909 -0.283 -4.924 1.00 0.00 O ATOM 532 CB LEU B 27 -1.639 -2.550 -4.127 1.00 0.00 C ATOM 533 CG LEU B 27 -1.343 -3.734 -3.220 1.00 0.00 C ATOM 534 CD1 LEU B 27 0.134 -3.785 -2.888 1.00 0.00 C ATOM 535 CD2 LEU B 27 -2.163 -3.632 -1.951 1.00 0.00 C ATOM 0 H LEU B 27 -2.468 -4.226 -5.779 1.00 0.00 H new ATOM 0 HA LEU B 27 -3.763 -2.601 -3.901 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -0.920 -2.554 -4.947 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -1.473 -1.632 -3.563 1.00 0.00 H new ATOM 0 HG LEU B 27 -1.613 -4.653 -3.741 1.00 0.00 H new ATOM 0 HD11 LEU B 27 0.332 -4.637 -2.238 1.00 0.00 H new ATOM 0 HD12 LEU B 27 0.710 -3.888 -3.807 1.00 0.00 H new ATOM 0 HD13 LEU B 27 0.425 -2.866 -2.379 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -1.945 -4.484 -1.307 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -1.912 -2.709 -1.429 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -3.224 -3.630 -2.202 1.00 0.00 H new ATOM 547 N CYS B 28 -2.703 -1.100 -6.640 1.00 0.00 N ATOM 548 CA CYS B 28 -2.848 0.081 -7.474 1.00 0.00 C ATOM 549 C CYS B 28 -4.331 0.391 -7.685 1.00 0.00 C ATOM 550 O CYS B 28 -4.764 1.537 -7.556 1.00 0.00 O ATOM 551 CB CYS B 28 -2.150 -0.158 -8.818 1.00 0.00 C ATOM 552 SG CYS B 28 -1.696 1.357 -9.723 1.00 0.00 S ATOM 0 H CYS B 28 -2.146 -1.843 -7.062 1.00 0.00 H new ATOM 0 HA CYS B 28 -2.385 0.936 -6.982 1.00 0.00 H new ATOM 0 HB2 CYS B 28 -1.248 -0.744 -8.644 1.00 0.00 H new ATOM 0 HB3 CYS B 28 -2.804 -0.759 -9.449 1.00 0.00 H new ATOM 557 N ALA B 29 -5.104 -0.654 -7.971 1.00 0.00 N ATOM 558 CA ALA B 29 -6.541 -0.527 -8.197 1.00 0.00 C ATOM 559 C ALA B 29 -7.288 -0.217 -6.900 1.00 0.00 C ATOM 560 O ALA B 29 -8.118 0.692 -6.850 1.00 0.00 O ATOM 561 CB ALA B 29 -7.075 -1.811 -8.817 1.00 0.00 C ATOM 0 H ALA B 29 -4.754 -1.608 -8.052 1.00 0.00 H new ATOM 0 HA ALA B 29 -6.707 0.306 -8.880 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -8.148 -1.715 -8.985 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -6.573 -1.992 -9.768 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -6.887 -2.646 -8.143 1.00 0.00 H new ATOM 567 N PHE B 30 -6.975 -0.972 -5.855 1.00 0.00 N ATOM 568 CA PHE B 30 -7.637 -0.846 -4.566 1.00 0.00 C ATOM 569 C PHE B 30 -7.418 0.540 -3.965 1.00 0.00 C ATOM 570 O PHE B 30 -8.368 1.197 -3.546 1.00 0.00 O ATOM 571 CB PHE B 30 -7.126 -1.956 -3.632 1.00 0.00 C ATOM 572 CG PHE B 30 -7.125 -1.609 -2.172 1.00 0.00 C ATOM 573 CD1 PHE B 30 -5.931 -1.326 -1.530 1.00 0.00 C ATOM 574 CD2 PHE B 30 -8.300 -1.569 -1.445 1.00 0.00 C ATOM 575 CE1 PHE B 30 -5.909 -1.008 -0.187 1.00 0.00 C ATOM 576 CE2 PHE B 30 -8.284 -1.250 -0.100 1.00 0.00 C ATOM 577 CZ PHE B 30 -7.088 -0.970 0.530 1.00 0.00 C ATOM 0 H PHE B 30 -6.252 -1.691 -5.879 1.00 0.00 H new ATOM 0 HA PHE B 30 -8.713 -0.961 -4.699 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -7.741 -2.844 -3.778 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -6.110 -2.219 -3.928 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -5.006 -1.354 -2.087 1.00 0.00 H new ATOM 0 HD2 PHE B 30 -9.239 -1.789 -1.932 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -4.971 -0.789 0.302 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -9.208 -1.220 0.458 1.00 0.00 H new ATOM 0 HZ PHE B 30 -7.075 -0.722 1.581 1.00 0.00 H new ATOM 587 N ILE B 31 -6.172 0.991 -3.954 1.00 0.00 N ATOM 588 CA ILE B 31 -5.839 2.289 -3.388 1.00 0.00 C ATOM 589 C ILE B 31 -6.477 3.411 -4.194 1.00 0.00 C ATOM 590 O ILE B 31 -6.966 4.399 -3.641 1.00 0.00 O ATOM 591 CB ILE B 31 -4.315 2.489 -3.321 1.00 0.00 C ATOM 592 CG1 ILE B 31 -3.693 1.446 -2.392 1.00 0.00 C ATOM 593 CG2 ILE B 31 -3.982 3.896 -2.847 1.00 0.00 C ATOM 594 CD1 ILE B 31 -2.188 1.368 -2.489 1.00 0.00 C ATOM 0 H ILE B 31 -5.376 0.477 -4.331 1.00 0.00 H new ATOM 0 HA ILE B 31 -6.236 2.318 -2.373 1.00 0.00 H new ATOM 0 HB ILE B 31 -3.899 2.361 -4.320 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -3.971 1.677 -1.363 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -4.114 0.468 -2.624 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -2.900 4.019 -2.806 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -4.404 4.623 -3.541 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -4.403 4.055 -1.854 1.00 0.00 H new ATOM 0 HD11 ILE B 31 -1.818 0.607 -1.802 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -1.902 1.107 -3.508 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -1.756 2.334 -2.228 1.00 0.00 H new ATOM 606 N HIS B 32 -6.494 3.234 -5.501 1.00 0.00 N ATOM 607 CA HIS B 32 -7.119 4.201 -6.389 1.00 0.00 C ATOM 608 C HIS B 32 -8.616 4.266 -6.111 1.00 0.00 C ATOM 609 O HIS B 32 -9.222 5.329 -6.184 1.00 0.00 O ATOM 610 CB HIS B 32 -6.866 3.839 -7.855 1.00 0.00 C ATOM 611 CG HIS B 32 -7.339 4.882 -8.821 1.00 0.00 C ATOM 612 ND1 HIS B 32 -8.502 4.765 -9.549 1.00 0.00 N ATOM 613 CD2 HIS B 32 -6.800 6.074 -9.169 1.00 0.00 C ATOM 614 CE1 HIS B 32 -8.657 5.838 -10.300 1.00 0.00 C ATOM 615 NE2 HIS B 32 -7.639 6.647 -10.089 1.00 0.00 N ATOM 0 H HIS B 32 -6.082 2.429 -5.974 1.00 0.00 H new ATOM 0 HA HIS B 32 -6.678 5.180 -6.202 1.00 0.00 H new ATOM 0 HB2 HIS B 32 -5.798 3.678 -8.002 1.00 0.00 H new ATOM 0 HB3 HIS B 32 -7.364 2.896 -8.079 1.00 0.00 H new ATOM 0 HD2 HIS B 32 -5.880 6.495 -8.792 1.00 0.00 H new ATOM 0 HE1 HIS B 32 -9.480 6.022 -10.975 1.00 0.00 H new ATOM 0 HE2 HIS B 32 -7.498 7.552 -10.537 1.00 0.00 H new ATOM 624 N SER B 33 -9.196 3.122 -5.770 1.00 0.00 N ATOM 625 CA SER B 33 -10.617 3.042 -5.473 1.00 0.00 C ATOM 626 C SER B 33 -10.928 3.627 -4.096 1.00 0.00 C ATOM 627 O SER B 33 -12.020 4.134 -3.874 1.00 0.00 O ATOM 628 CB SER B 33 -11.092 1.594 -5.561 1.00 0.00 C ATOM 629 OG SER B 33 -10.859 1.066 -6.857 1.00 0.00 O ATOM 0 H SER B 33 -8.700 2.234 -5.693 1.00 0.00 H new ATOM 0 HA SER B 33 -11.154 3.634 -6.214 1.00 0.00 H new ATOM 0 HB2 SER B 33 -10.571 0.990 -4.818 1.00 0.00 H new ATOM 0 HB3 SER B 33 -12.155 1.540 -5.327 1.00 0.00 H new ATOM 0 HG SER B 33 -9.901 0.892 -6.972 1.00 0.00 H new ATOM 635 N ILE B 34 -9.970 3.557 -3.175 1.00 0.00 N ATOM 636 CA ILE B 34 -10.126 4.186 -1.865 1.00 0.00 C ATOM 637 C ILE B 34 -10.173 5.698 -2.014 1.00 0.00 C ATOM 638 O ILE B 34 -11.038 6.369 -1.457 1.00 0.00 O ATOM 639 CB ILE B 34 -8.966 3.830 -0.906 1.00 0.00 C ATOM 640 CG1 ILE B 34 -8.942 2.327 -0.620 1.00 0.00 C ATOM 641 CG2 ILE B 34 -9.084 4.621 0.396 1.00 0.00 C ATOM 642 CD1 ILE B 34 -10.171 1.826 0.109 1.00 0.00 C ATOM 0 H ILE B 34 -9.082 3.074 -3.310 1.00 0.00 H new ATOM 0 HA ILE B 34 -11.058 3.809 -1.443 1.00 0.00 H new ATOM 0 HB ILE B 34 -8.028 4.101 -1.390 1.00 0.00 H new ATOM 0 HG12 ILE B 34 -8.845 1.788 -1.563 1.00 0.00 H new ATOM 0 HG13 ILE B 34 -8.058 2.093 -0.027 1.00 0.00 H new ATOM 0 HG21 ILE B 34 -8.259 4.357 1.058 1.00 0.00 H new ATOM 0 HG22 ILE B 34 -9.047 5.688 0.178 1.00 0.00 H new ATOM 0 HG23 ILE B 34 -10.030 4.383 0.882 1.00 0.00 H new ATOM 0 HD11 ILE B 34 -10.082 0.753 0.277 1.00 0.00 H new ATOM 0 HD12 ILE B 34 -10.259 2.337 1.068 1.00 0.00 H new ATOM 0 HD13 ILE B 34 -11.058 2.027 -0.492 1.00 0.00 H new ATOM 654 N HIS B 35 -9.229 6.219 -2.775 1.00 0.00 N ATOM 655 CA HIS B 35 -9.111 7.652 -2.971 1.00 0.00 C ATOM 656 C HIS B 35 -10.266 8.172 -3.821 1.00 0.00 C ATOM 657 O HIS B 35 -10.736 9.293 -3.630 1.00 0.00 O ATOM 658 CB HIS B 35 -7.771 7.969 -3.632 1.00 0.00 C ATOM 659 CG HIS B 35 -7.400 9.421 -3.580 1.00 0.00 C ATOM 660 ND1 HIS B 35 -7.363 10.230 -4.695 1.00 0.00 N ATOM 661 CD2 HIS B 35 -7.038 10.205 -2.538 1.00 0.00 C ATOM 662 CE1 HIS B 35 -6.995 11.447 -4.339 1.00 0.00 C ATOM 663 NE2 HIS B 35 -6.793 11.457 -3.037 1.00 0.00 N ATOM 0 H HIS B 35 -8.529 5.667 -3.270 1.00 0.00 H new ATOM 0 HA HIS B 35 -9.155 8.150 -2.002 1.00 0.00 H new ATOM 0 HB2 HIS B 35 -6.989 7.386 -3.145 1.00 0.00 H new ATOM 0 HB3 HIS B 35 -7.805 7.649 -4.673 1.00 0.00 H new ATOM 0 HD2 HIS B 35 -6.957 9.900 -1.505 1.00 0.00 H new ATOM 0 HE1 HIS B 35 -6.879 12.291 -5.003 1.00 0.00 H new ATOM 0 HE2 HIS B 35 -6.501 12.266 -2.489 1.00 0.00 H new ATOM 672 N ASP B 36 -10.720 7.344 -4.753 1.00 0.00 N ATOM 673 CA ASP B 36 -11.823 7.708 -5.633 1.00 0.00 C ATOM 674 C ASP B 36 -13.161 7.548 -4.915 1.00 0.00 C ATOM 675 O ASP B 36 -13.987 8.459 -4.920 1.00 0.00 O ATOM 676 CB ASP B 36 -11.799 6.850 -6.900 1.00 0.00 C ATOM 677 CG ASP B 36 -12.717 7.381 -7.981 1.00 0.00 C ATOM 678 OD1 ASP B 36 -12.293 8.279 -8.735 1.00 0.00 O ATOM 679 OD2 ASP B 36 -13.857 6.893 -8.098 1.00 0.00 O ATOM 0 H ASP B 36 -10.340 6.412 -4.919 1.00 0.00 H new ATOM 0 HA ASP B 36 -11.704 8.754 -5.914 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -10.780 6.804 -7.284 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -12.091 5.830 -6.649 1.00 0.00 H new ATOM 684 N ASP B 37 -13.368 6.389 -4.296 1.00 0.00 N ATOM 685 CA ASP B 37 -14.567 6.120 -3.531 1.00 0.00 C ATOM 686 C ASP B 37 -14.239 5.922 -2.053 1.00 0.00 C ATOM 687 O ASP B 37 -14.197 4.789 -1.568 1.00 0.00 O ATOM 688 CB ASP B 37 -15.249 4.866 -4.061 1.00 0.00 C ATOM 689 CG ASP B 37 -16.131 5.130 -5.261 1.00 0.00 C ATOM 690 OD1 ASP B 37 -15.923 4.487 -6.313 1.00 0.00 O ATOM 691 OD2 ASP B 37 -17.044 5.979 -5.157 1.00 0.00 O ATOM 0 H ASP B 37 -12.705 5.614 -4.315 1.00 0.00 H new ATOM 0 HA ASP B 37 -15.232 6.977 -3.633 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -14.489 4.133 -4.331 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -15.850 4.424 -3.267 1.00 0.00 H new ATOM 696 N PRO B 38 -14.026 7.014 -1.303 1.00 0.00 N ATOM 697 CA PRO B 38 -13.642 6.930 0.105 1.00 0.00 C ATOM 698 C PRO B 38 -14.812 6.534 0.994 1.00 0.00 C ATOM 699 O PRO B 38 -14.627 6.053 2.112 1.00 0.00 O ATOM 700 CB PRO B 38 -13.174 8.345 0.423 1.00 0.00 C ATOM 701 CG PRO B 38 -13.964 9.210 -0.493 1.00 0.00 C ATOM 702 CD PRO B 38 -14.144 8.413 -1.759 1.00 0.00 C ATOM 0 HA PRO B 38 -12.882 6.169 0.284 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -13.358 8.599 1.467 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -12.104 8.458 0.251 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -14.927 9.468 -0.053 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -13.443 10.147 -0.692 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -15.113 8.605 -2.220 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -13.384 8.659 -2.500 1.00 0.00 H new ATOM 710 N SER B 39 -16.016 6.733 0.489 1.00 0.00 N ATOM 711 CA SER B 39 -17.213 6.353 1.216 1.00 0.00 C ATOM 712 C SER B 39 -17.432 4.846 1.114 1.00 0.00 C ATOM 713 O SER B 39 -17.942 4.216 2.039 1.00 0.00 O ATOM 714 CB SER B 39 -18.420 7.114 0.671 1.00 0.00 C ATOM 715 OG SER B 39 -18.140 8.504 0.592 1.00 0.00 O ATOM 0 H SER B 39 -16.191 7.156 -0.423 1.00 0.00 H new ATOM 0 HA SER B 39 -17.089 6.612 2.268 1.00 0.00 H new ATOM 0 HB2 SER B 39 -18.681 6.733 -0.316 1.00 0.00 H new ATOM 0 HB3 SER B 39 -19.283 6.947 1.315 1.00 0.00 H new ATOM 0 HG SER B 39 -18.923 8.976 0.239 1.00 0.00 H new ATOM 721 N GLN B 40 -17.022 4.270 -0.012 1.00 0.00 N ATOM 722 CA GLN B 40 -17.109 2.835 -0.214 1.00 0.00 C ATOM 723 C GLN B 40 -15.895 2.128 0.373 1.00 0.00 C ATOM 724 O GLN B 40 -15.825 0.905 0.341 1.00 0.00 O ATOM 725 CB GLN B 40 -17.221 2.494 -1.695 1.00 0.00 C ATOM 726 CG GLN B 40 -18.340 3.215 -2.405 1.00 0.00 C ATOM 727 CD GLN B 40 -18.679 2.581 -3.737 1.00 0.00 C ATOM 728 OE1 GLN B 40 -18.123 2.944 -4.765 1.00 0.00 O ATOM 729 NE2 GLN B 40 -19.584 1.618 -3.728 1.00 0.00 N ATOM 0 H GLN B 40 -16.625 4.782 -0.800 1.00 0.00 H new ATOM 0 HA GLN B 40 -18.007 2.491 0.299 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -16.278 2.735 -2.186 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -17.370 1.419 -1.800 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -19.227 3.219 -1.771 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -18.056 4.256 -2.562 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -20.026 1.342 -2.851 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -19.840 1.151 -4.598 1.00 0.00 H new ATOM 738 N SER B 41 -14.928 2.915 0.852 1.00 0.00 N ATOM 739 CA SER B 41 -13.659 2.401 1.383 1.00 0.00 C ATOM 740 C SER B 41 -13.838 1.115 2.194 1.00 0.00 C ATOM 741 O SER B 41 -13.072 0.166 2.026 1.00 0.00 O ATOM 742 CB SER B 41 -12.991 3.479 2.245 1.00 0.00 C ATOM 743 OG SER B 41 -11.816 2.993 2.870 1.00 0.00 O ATOM 0 H SER B 41 -15.002 3.932 0.883 1.00 0.00 H new ATOM 0 HA SER B 41 -13.024 2.153 0.533 1.00 0.00 H new ATOM 0 HB2 SER B 41 -12.744 4.340 1.625 1.00 0.00 H new ATOM 0 HB3 SER B 41 -13.692 3.824 3.005 1.00 0.00 H new ATOM 0 HG SER B 41 -11.414 3.705 3.410 1.00 0.00 H new ATOM 749 N ALA B 42 -14.866 1.081 3.043 1.00 0.00 N ATOM 750 CA ALA B 42 -15.153 -0.083 3.882 1.00 0.00 C ATOM 751 C ALA B 42 -15.274 -1.355 3.049 1.00 0.00 C ATOM 752 O ALA B 42 -14.800 -2.422 3.438 1.00 0.00 O ATOM 753 CB ALA B 42 -16.436 0.144 4.653 1.00 0.00 C ATOM 0 H ALA B 42 -15.519 1.854 3.168 1.00 0.00 H new ATOM 0 HA ALA B 42 -14.322 -0.210 4.576 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -16.645 -0.726 5.276 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -16.330 1.026 5.285 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -17.259 0.296 3.954 1.00 0.00 H new ATOM 759 N ASN B 43 -15.910 -1.224 1.903 1.00 0.00 N ATOM 760 CA ASN B 43 -16.095 -2.342 0.993 1.00 0.00 C ATOM 761 C ASN B 43 -14.843 -2.573 0.157 1.00 0.00 C ATOM 762 O ASN B 43 -14.489 -3.712 -0.134 1.00 0.00 O ATOM 763 CB ASN B 43 -17.298 -2.095 0.079 1.00 0.00 C ATOM 764 CG ASN B 43 -17.552 -3.250 -0.872 1.00 0.00 C ATOM 765 OD1 ASN B 43 -18.199 -4.234 -0.510 1.00 0.00 O ATOM 766 ND2 ASN B 43 -17.063 -3.133 -2.095 1.00 0.00 N ATOM 0 H ASN B 43 -16.312 -0.346 1.575 1.00 0.00 H new ATOM 0 HA ASN B 43 -16.282 -3.235 1.589 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -18.186 -1.929 0.689 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -17.132 -1.184 -0.497 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -17.216 -3.874 -2.779 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -16.532 -2.301 -2.355 1.00 0.00 H new ATOM 773 N LEU B 44 -14.167 -1.492 -0.221 1.00 0.00 N ATOM 774 CA LEU B 44 -12.958 -1.612 -1.027 1.00 0.00 C ATOM 775 C LEU B 44 -11.862 -2.361 -0.276 1.00 0.00 C ATOM 776 O LEU B 44 -11.162 -3.188 -0.863 1.00 0.00 O ATOM 777 CB LEU B 44 -12.434 -0.244 -1.492 1.00 0.00 C ATOM 778 CG LEU B 44 -13.134 0.369 -2.715 1.00 0.00 C ATOM 779 CD1 LEU B 44 -13.533 -0.705 -3.709 1.00 0.00 C ATOM 780 CD2 LEU B 44 -14.343 1.185 -2.308 1.00 0.00 C ATOM 0 H LEU B 44 -14.432 -0.535 0.014 1.00 0.00 H new ATOM 0 HA LEU B 44 -13.233 -2.186 -1.912 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -12.519 0.456 -0.661 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -11.372 -0.342 -1.718 1.00 0.00 H new ATOM 0 HG LEU B 44 -12.421 1.038 -3.197 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -14.026 -0.244 -4.565 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -12.644 -1.237 -4.046 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -14.216 -1.407 -3.231 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -14.815 1.604 -3.197 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -15.055 0.545 -1.787 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -14.031 1.994 -1.647 1.00 0.00 H new ATOM 792 N LEU B 45 -11.710 -2.105 1.023 1.00 0.00 N ATOM 793 CA LEU B 45 -10.684 -2.811 1.779 1.00 0.00 C ATOM 794 C LEU B 45 -11.215 -4.166 2.232 1.00 0.00 C ATOM 795 O LEU B 45 -10.446 -5.053 2.592 1.00 0.00 O ATOM 796 CB LEU B 45 -10.151 -1.990 2.967 1.00 0.00 C ATOM 797 CG LEU B 45 -10.835 -2.213 4.319 1.00 0.00 C ATOM 798 CD1 LEU B 45 -9.865 -1.917 5.449 1.00 0.00 C ATOM 799 CD2 LEU B 45 -12.060 -1.335 4.463 1.00 0.00 C ATOM 0 H LEU B 45 -12.265 -1.436 1.557 1.00 0.00 H new ATOM 0 HA LEU B 45 -9.833 -2.966 1.116 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -9.089 -2.208 3.083 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -10.233 -0.933 2.714 1.00 0.00 H new ATOM 0 HG LEU B 45 -11.148 -3.256 4.368 1.00 0.00 H new ATOM 0 HD11 LEU B 45 -10.361 -2.079 6.406 1.00 0.00 H new ATOM 0 HD12 LEU B 45 -9.003 -2.579 5.371 1.00 0.00 H new ATOM 0 HD13 LEU B 45 -9.534 -0.881 5.382 1.00 0.00 H new ATOM 0 HD21 LEU B 45 -12.525 -1.515 5.432 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -11.768 -0.288 4.390 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -12.771 -1.569 3.671 1.00 0.00 H new ATOM 811 N ALA B 46 -12.537 -4.318 2.190 1.00 0.00 N ATOM 812 CA ALA B 46 -13.174 -5.606 2.439 1.00 0.00 C ATOM 813 C ALA B 46 -12.730 -6.604 1.389 1.00 0.00 C ATOM 814 O ALA B 46 -12.350 -7.735 1.695 1.00 0.00 O ATOM 815 CB ALA B 46 -14.687 -5.468 2.395 1.00 0.00 C ATOM 0 H ALA B 46 -13.189 -3.561 1.985 1.00 0.00 H new ATOM 0 HA ALA B 46 -12.880 -5.956 3.429 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -15.146 -6.438 2.583 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -15.010 -4.760 3.158 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -14.991 -5.107 1.413 1.00 0.00 H new ATOM 821 N GLU B 47 -12.781 -6.153 0.146 1.00 0.00 N ATOM 822 CA GLU B 47 -12.347 -6.945 -0.990 1.00 0.00 C ATOM 823 C GLU B 47 -10.905 -7.335 -0.837 1.00 0.00 C ATOM 824 O GLU B 47 -10.542 -8.482 -1.040 1.00 0.00 O ATOM 825 CB GLU B 47 -12.528 -6.149 -2.272 1.00 0.00 C ATOM 826 CG GLU B 47 -13.969 -5.807 -2.507 1.00 0.00 C ATOM 827 CD GLU B 47 -14.209 -5.095 -3.821 1.00 0.00 C ATOM 828 OE1 GLU B 47 -14.257 -5.781 -4.864 1.00 0.00 O ATOM 829 OE2 GLU B 47 -14.364 -3.857 -3.824 1.00 0.00 O ATOM 0 H GLU B 47 -13.125 -5.226 -0.102 1.00 0.00 H new ATOM 0 HA GLU B 47 -12.953 -7.850 -1.036 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -11.939 -5.233 -2.219 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -12.147 -6.724 -3.116 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -14.561 -6.722 -2.484 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -14.324 -5.178 -1.691 1.00 0.00 H new ATOM 836 N ALA B 48 -10.097 -6.368 -0.467 1.00 0.00 N ATOM 837 CA ALA B 48 -8.675 -6.599 -0.268 1.00 0.00 C ATOM 838 C ALA B 48 -8.412 -7.674 0.784 1.00 0.00 C ATOM 839 O ALA B 48 -7.450 -8.431 0.668 1.00 0.00 O ATOM 840 CB ALA B 48 -7.971 -5.321 0.108 1.00 0.00 C ATOM 0 H ALA B 48 -10.397 -5.408 -0.296 1.00 0.00 H new ATOM 0 HA ALA B 48 -8.275 -6.957 -1.216 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -6.909 -5.519 0.252 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -8.099 -4.587 -0.688 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -8.395 -4.930 1.033 1.00 0.00 H new ATOM 846 N LYS B 49 -9.263 -7.741 1.805 1.00 0.00 N ATOM 847 CA LYS B 49 -9.155 -8.787 2.820 1.00 0.00 C ATOM 848 C LYS B 49 -9.371 -10.151 2.177 1.00 0.00 C ATOM 849 O LYS B 49 -8.628 -11.100 2.430 1.00 0.00 O ATOM 850 CB LYS B 49 -10.187 -8.586 3.933 1.00 0.00 C ATOM 851 CG LYS B 49 -10.094 -7.250 4.636 1.00 0.00 C ATOM 852 CD LYS B 49 -11.182 -7.107 5.689 1.00 0.00 C ATOM 853 CE LYS B 49 -11.274 -5.683 6.213 1.00 0.00 C ATOM 854 NZ LYS B 49 -12.349 -5.531 7.230 1.00 0.00 N ATOM 0 H LYS B 49 -10.032 -7.087 1.952 1.00 0.00 H new ATOM 0 HA LYS B 49 -8.158 -8.733 3.257 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -11.186 -8.691 3.509 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -10.068 -9.380 4.670 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -9.115 -7.150 5.105 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -10.182 -6.445 3.906 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -12.141 -7.401 5.263 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -10.979 -7.787 6.517 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -10.318 -5.395 6.650 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -11.462 -5.003 5.382 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -12.633 -4.532 7.288 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -13.169 -6.109 6.957 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -11.997 -5.845 8.157 1.00 0.00 H new ATOM 868 N LYS B 50 -10.390 -10.226 1.329 1.00 0.00 N ATOM 869 CA LYS B 50 -10.731 -11.448 0.630 1.00 0.00 C ATOM 870 C LYS B 50 -9.676 -11.752 -0.428 1.00 0.00 C ATOM 871 O LYS B 50 -9.299 -12.902 -0.637 1.00 0.00 O ATOM 872 CB LYS B 50 -12.102 -11.280 -0.019 1.00 0.00 C ATOM 873 CG LYS B 50 -13.220 -10.972 0.966 1.00 0.00 C ATOM 874 CD LYS B 50 -13.390 -12.071 2.003 1.00 0.00 C ATOM 875 CE LYS B 50 -14.454 -11.709 3.028 1.00 0.00 C ATOM 876 NZ LYS B 50 -15.786 -11.502 2.400 1.00 0.00 N ATOM 0 H LYS B 50 -11.000 -9.438 1.110 1.00 0.00 H new ATOM 0 HA LYS B 50 -10.763 -12.281 1.333 1.00 0.00 H new ATOM 0 HB2 LYS B 50 -12.048 -10.477 -0.754 1.00 0.00 H new ATOM 0 HB3 LYS B 50 -12.350 -12.193 -0.561 1.00 0.00 H new ATOM 0 HG2 LYS B 50 -13.009 -10.029 1.470 1.00 0.00 H new ATOM 0 HG3 LYS B 50 -14.155 -10.840 0.422 1.00 0.00 H new ATOM 0 HD2 LYS B 50 -13.663 -13.002 1.507 1.00 0.00 H new ATOM 0 HD3 LYS B 50 -12.440 -12.246 2.509 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -14.524 -12.501 3.773 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -14.157 -10.802 3.554 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -16.511 -11.425 3.141 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -15.772 -10.628 1.837 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -16.007 -12.308 1.781 1.00 0.00 H new ATOM 890 N LEU B 51 -9.207 -10.694 -1.075 1.00 0.00 N ATOM 891 CA LEU B 51 -8.159 -10.773 -2.074 1.00 0.00 C ATOM 892 C LEU B 51 -6.884 -11.358 -1.470 1.00 0.00 C ATOM 893 O LEU B 51 -6.375 -12.371 -1.949 1.00 0.00 O ATOM 894 CB LEU B 51 -7.890 -9.373 -2.626 1.00 0.00 C ATOM 895 CG LEU B 51 -8.407 -9.085 -4.031 1.00 0.00 C ATOM 896 CD1 LEU B 51 -9.933 -9.175 -4.094 1.00 0.00 C ATOM 897 CD2 LEU B 51 -7.931 -7.717 -4.501 1.00 0.00 C ATOM 0 H LEU B 51 -9.550 -9.747 -0.916 1.00 0.00 H new ATOM 0 HA LEU B 51 -8.481 -11.429 -2.882 1.00 0.00 H new ATOM 0 HB2 LEU B 51 -8.332 -8.647 -1.944 1.00 0.00 H new ATOM 0 HB3 LEU B 51 -6.813 -9.204 -2.617 1.00 0.00 H new ATOM 0 HG LEU B 51 -8.003 -9.845 -4.699 1.00 0.00 H new ATOM 0 HD11 LEU B 51 -10.268 -8.964 -5.109 1.00 0.00 H new ATOM 0 HD12 LEU B 51 -10.250 -10.178 -3.808 1.00 0.00 H new ATOM 0 HD13 LEU B 51 -10.369 -8.447 -3.410 1.00 0.00 H new ATOM 0 HD21 LEU B 51 -8.308 -7.526 -5.506 1.00 0.00 H new ATOM 0 HD22 LEU B 51 -8.302 -6.949 -3.822 1.00 0.00 H new ATOM 0 HD23 LEU B 51 -6.841 -7.695 -4.512 1.00 0.00 H new ATOM 909 N ASN B 52 -6.365 -10.704 -0.425 1.00 0.00 N ATOM 910 CA ASN B 52 -5.232 -11.233 0.340 1.00 0.00 C ATOM 911 C ASN B 52 -5.443 -12.698 0.720 1.00 0.00 C ATOM 912 O ASN B 52 -4.550 -13.527 0.544 1.00 0.00 O ATOM 913 CB ASN B 52 -5.055 -10.422 1.619 1.00 0.00 C ATOM 914 CG ASN B 52 -3.847 -10.855 2.427 1.00 0.00 C ATOM 915 OD1 ASN B 52 -2.803 -11.182 1.871 1.00 0.00 O ATOM 916 ND2 ASN B 52 -3.987 -10.874 3.741 1.00 0.00 N ATOM 0 H ASN B 52 -6.713 -9.806 -0.090 1.00 0.00 H new ATOM 0 HA ASN B 52 -4.346 -11.160 -0.290 1.00 0.00 H new ATOM 0 HB2 ASN B 52 -4.957 -9.367 1.364 1.00 0.00 H new ATOM 0 HB3 ASN B 52 -5.951 -10.519 2.232 1.00 0.00 H new ATOM 0 HD21 ASN B 52 -3.210 -11.168 4.332 1.00 0.00 H new ATOM 0 HD22 ASN B 52 -4.872 -10.594 4.164 1.00 0.00 H new ATOM 923 N ASP B 53 -6.630 -13.003 1.232 1.00 0.00 N ATOM 924 CA ASP B 53 -6.955 -14.352 1.692 1.00 0.00 C ATOM 925 C ASP B 53 -6.927 -15.351 0.537 1.00 0.00 C ATOM 926 O ASP B 53 -6.431 -16.469 0.680 1.00 0.00 O ATOM 927 CB ASP B 53 -8.334 -14.362 2.356 1.00 0.00 C ATOM 928 CG ASP B 53 -8.668 -15.695 2.989 1.00 0.00 C ATOM 929 OD1 ASP B 53 -8.340 -15.887 4.179 1.00 0.00 O ATOM 930 OD2 ASP B 53 -9.273 -16.550 2.311 1.00 0.00 O ATOM 0 H ASP B 53 -7.389 -12.331 1.340 1.00 0.00 H new ATOM 0 HA ASP B 53 -6.201 -14.651 2.420 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -8.372 -13.583 3.118 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -9.092 -14.117 1.612 1.00 0.00 H new ATOM 935 N ALA B 54 -7.441 -14.934 -0.612 1.00 0.00 N ATOM 936 CA ALA B 54 -7.514 -15.799 -1.783 1.00 0.00 C ATOM 937 C ALA B 54 -6.130 -16.085 -2.354 1.00 0.00 C ATOM 938 O ALA B 54 -5.915 -17.103 -3.013 1.00 0.00 O ATOM 939 CB ALA B 54 -8.402 -15.170 -2.846 1.00 0.00 C ATOM 0 H ALA B 54 -7.816 -13.997 -0.759 1.00 0.00 H new ATOM 0 HA ALA B 54 -7.948 -16.749 -1.470 1.00 0.00 H new ATOM 0 HB1 ALA B 54 -8.449 -15.825 -3.716 1.00 0.00 H new ATOM 0 HB2 ALA B 54 -9.405 -15.028 -2.444 1.00 0.00 H new ATOM 0 HB3 ALA B 54 -7.989 -14.205 -3.141 1.00 0.00 H new ATOM 945 N GLN B 55 -5.188 -15.191 -2.093 1.00 0.00 N ATOM 946 CA GLN B 55 -3.840 -15.334 -2.624 1.00 0.00 C ATOM 947 C GLN B 55 -2.855 -15.728 -1.531 1.00 0.00 C ATOM 948 O GLN B 55 -1.639 -15.656 -1.724 1.00 0.00 O ATOM 949 CB GLN B 55 -3.389 -14.031 -3.282 1.00 0.00 C ATOM 950 CG GLN B 55 -4.304 -13.563 -4.399 1.00 0.00 C ATOM 951 CD GLN B 55 -3.749 -12.362 -5.134 1.00 0.00 C ATOM 952 OE1 GLN B 55 -4.012 -11.216 -4.768 1.00 0.00 O ATOM 953 NE2 GLN B 55 -2.975 -12.618 -6.175 1.00 0.00 N ATOM 0 H GLN B 55 -5.331 -14.361 -1.518 1.00 0.00 H new ATOM 0 HA GLN B 55 -3.858 -16.128 -3.371 1.00 0.00 H new ATOM 0 HB2 GLN B 55 -3.330 -13.252 -2.522 1.00 0.00 H new ATOM 0 HB3 GLN B 55 -2.383 -14.165 -3.680 1.00 0.00 H new ATOM 0 HG2 GLN B 55 -4.457 -14.379 -5.105 1.00 0.00 H new ATOM 0 HG3 GLN B 55 -5.280 -13.313 -3.984 1.00 0.00 H new ATOM 0 HE21 GLN B 55 -2.783 -13.583 -6.443 1.00 0.00 H new ATOM 0 HE22 GLN B 55 -2.569 -11.850 -6.710 1.00 0.00 H new ATOM 962 N ALA B 56 -3.384 -16.147 -0.391 1.00 0.00 N ATOM 963 CA ALA B 56 -2.569 -16.517 0.747 1.00 0.00 C ATOM 964 C ALA B 56 -1.974 -17.909 0.565 1.00 0.00 C ATOM 965 O ALA B 56 -0.831 -18.011 0.066 1.00 0.00 O ATOM 966 CB ALA B 56 -3.418 -16.451 1.998 1.00 0.00 C ATOM 0 H ALA B 56 -4.388 -16.238 -0.233 1.00 0.00 H new ATOM 0 HA ALA B 56 -1.736 -15.820 0.836 1.00 0.00 H new ATOM 0 HB1 ALA B 56 -2.814 -16.728 2.862 1.00 0.00 H new ATOM 0 HB2 ALA B 56 -3.795 -15.437 2.129 1.00 0.00 H new ATOM 0 HB3 ALA B 56 -4.257 -17.141 1.905 1.00 0.00 H new ATOM 973 N GLY C 13 14.258 -4.404 11.771 1.00 0.00 N ATOM 974 CA GLY C 13 13.102 -4.424 10.843 1.00 0.00 C ATOM 975 C GLY C 13 11.809 -4.748 11.560 1.00 0.00 C ATOM 976 O GLY C 13 11.809 -5.501 12.536 1.00 0.00 O ATOM 0 HA2 GLY C 13 13.013 -3.454 10.353 1.00 0.00 H new ATOM 0 HA3 GLY C 13 13.278 -5.162 10.060 1.00 0.00 H new ATOM 980 N GLY C 14 10.707 -4.184 11.085 1.00 0.00 N ATOM 981 CA GLY C 14 9.424 -4.410 11.724 1.00 0.00 C ATOM 982 C GLY C 14 8.727 -3.117 12.079 1.00 0.00 C ATOM 983 O GLY C 14 7.810 -3.097 12.900 1.00 0.00 O ATOM 0 H GLY C 14 10.678 -3.574 10.268 1.00 0.00 H new ATOM 0 HA2 GLY C 14 8.787 -4.994 11.059 1.00 0.00 H new ATOM 0 HA3 GLY C 14 9.569 -5.002 12.627 1.00 0.00 H new ATOM 987 N GLU C 15 9.172 -2.036 11.470 1.00 0.00 N ATOM 988 CA GLU C 15 8.547 -0.744 11.650 1.00 0.00 C ATOM 989 C GLU C 15 7.353 -0.594 10.727 1.00 0.00 C ATOM 990 O GLU C 15 7.260 -1.259 9.693 1.00 0.00 O ATOM 991 CB GLU C 15 9.545 0.386 11.392 1.00 0.00 C ATOM 992 CG GLU C 15 10.313 0.283 10.084 1.00 0.00 C ATOM 993 CD GLU C 15 11.450 -0.726 10.120 1.00 0.00 C ATOM 994 OE1 GLU C 15 12.586 -0.339 10.462 1.00 0.00 O ATOM 995 OE2 GLU C 15 11.217 -1.910 9.806 1.00 0.00 O ATOM 0 H GLU C 15 9.974 -2.030 10.839 1.00 0.00 H new ATOM 0 HA GLU C 15 8.206 -0.680 12.683 1.00 0.00 H new ATOM 0 HB2 GLU C 15 9.008 1.334 11.406 1.00 0.00 H new ATOM 0 HB3 GLU C 15 10.260 0.413 12.214 1.00 0.00 H new ATOM 0 HG2 GLU C 15 9.621 0.009 9.287 1.00 0.00 H new ATOM 0 HG3 GLU C 15 10.717 1.263 9.832 1.00 0.00 H new ATOM 1002 N ILE C 16 6.445 0.285 11.108 1.00 0.00 N ATOM 1003 CA ILE C 16 5.256 0.536 10.310 1.00 0.00 C ATOM 1004 C ILE C 16 5.475 1.767 9.447 1.00 0.00 C ATOM 1005 O ILE C 16 5.940 2.797 9.937 1.00 0.00 O ATOM 1006 CB ILE C 16 3.993 0.748 11.174 1.00 0.00 C ATOM 1007 CG1 ILE C 16 3.837 -0.394 12.181 1.00 0.00 C ATOM 1008 CG2 ILE C 16 2.759 0.851 10.283 1.00 0.00 C ATOM 1009 CD1 ILE C 16 2.480 -0.444 12.854 1.00 0.00 C ATOM 0 H ILE C 16 6.506 0.837 11.963 1.00 0.00 H new ATOM 0 HA ILE C 16 5.091 -0.348 9.694 1.00 0.00 H new ATOM 0 HB ILE C 16 4.100 1.680 11.729 1.00 0.00 H new ATOM 0 HG12 ILE C 16 4.013 -1.341 11.670 1.00 0.00 H new ATOM 0 HG13 ILE C 16 4.607 -0.297 12.946 1.00 0.00 H new ATOM 0 HG21 ILE C 16 1.875 1.000 10.902 1.00 0.00 H new ATOM 0 HG22 ILE C 16 2.872 1.694 9.602 1.00 0.00 H new ATOM 0 HG23 ILE C 16 2.648 -0.068 9.707 1.00 0.00 H new ATOM 0 HD11 ILE C 16 2.451 -1.281 13.552 1.00 0.00 H new ATOM 0 HD12 ILE C 16 2.308 0.486 13.395 1.00 0.00 H new ATOM 0 HD13 ILE C 16 1.704 -0.574 12.099 1.00 0.00 H new ATOM 1021 N VAL C 17 5.148 1.664 8.171 1.00 0.00 N ATOM 1022 CA VAL C 17 5.368 2.753 7.243 1.00 0.00 C ATOM 1023 C VAL C 17 4.030 3.192 6.650 1.00 0.00 C ATOM 1024 O VAL C 17 3.618 2.716 5.597 1.00 0.00 O ATOM 1025 CB VAL C 17 6.354 2.301 6.132 1.00 0.00 C ATOM 1026 CG1 VAL C 17 6.625 3.383 5.101 1.00 0.00 C ATOM 1027 CG2 VAL C 17 7.660 1.849 6.745 1.00 0.00 C ATOM 0 H VAL C 17 4.728 0.833 7.755 1.00 0.00 H new ATOM 0 HA VAL C 17 5.809 3.603 7.763 1.00 0.00 H new ATOM 0 HB VAL C 17 5.875 1.472 5.612 1.00 0.00 H new ATOM 0 HG11 VAL C 17 7.321 3.006 4.352 1.00 0.00 H new ATOM 0 HG12 VAL C 17 5.690 3.667 4.617 1.00 0.00 H new ATOM 0 HG13 VAL C 17 7.058 4.254 5.593 1.00 0.00 H new ATOM 0 HG21 VAL C 17 8.343 1.535 5.956 1.00 0.00 H new ATOM 0 HG22 VAL C 17 8.105 2.673 7.303 1.00 0.00 H new ATOM 0 HG23 VAL C 17 7.475 1.013 7.419 1.00 0.00 H new ATOM 1037 N TYR C 18 3.346 4.097 7.344 1.00 0.00 N ATOM 1038 CA TYR C 18 2.051 4.591 6.888 1.00 0.00 C ATOM 1039 C TYR C 18 2.230 5.641 5.810 1.00 0.00 C ATOM 1040 O TYR C 18 2.990 6.594 5.980 1.00 0.00 O ATOM 1041 CB TYR C 18 1.234 5.170 8.045 1.00 0.00 C ATOM 1042 CG TYR C 18 0.520 4.131 8.882 1.00 0.00 C ATOM 1043 CD1 TYR C 18 -0.432 3.291 8.316 1.00 0.00 C ATOM 1044 CD2 TYR C 18 0.782 4.003 10.241 1.00 0.00 C ATOM 1045 CE1 TYR C 18 -1.102 2.351 9.078 1.00 0.00 C ATOM 1046 CE2 TYR C 18 0.119 3.064 11.009 1.00 0.00 C ATOM 1047 CZ TYR C 18 -0.822 2.242 10.424 1.00 0.00 C ATOM 1048 OH TYR C 18 -1.488 1.310 11.189 1.00 0.00 O ATOM 0 H TYR C 18 3.667 4.503 8.223 1.00 0.00 H new ATOM 0 HA TYR C 18 1.505 3.743 6.474 1.00 0.00 H new ATOM 0 HB2 TYR C 18 1.897 5.747 8.690 1.00 0.00 H new ATOM 0 HB3 TYR C 18 0.497 5.865 7.642 1.00 0.00 H new ATOM 0 HD1 TYR C 18 -0.653 3.374 7.262 1.00 0.00 H new ATOM 0 HD2 TYR C 18 1.515 4.647 10.704 1.00 0.00 H new ATOM 0 HE1 TYR C 18 -1.839 1.707 8.622 1.00 0.00 H new ATOM 0 HE2 TYR C 18 0.337 2.974 12.063 1.00 0.00 H new ATOM 0 HH TYR C 18 -1.173 1.362 12.116 1.00 0.00 H new ATOM 1058 N LEU C 19 1.519 5.472 4.707 1.00 0.00 N ATOM 1059 CA LEU C 19 1.679 6.351 3.560 1.00 0.00 C ATOM 1060 C LEU C 19 0.341 6.624 2.870 1.00 0.00 C ATOM 1061 O LEU C 19 0.171 6.320 1.692 1.00 0.00 O ATOM 1062 CB LEU C 19 2.667 5.717 2.579 1.00 0.00 C ATOM 1063 CG LEU C 19 4.108 5.648 3.088 1.00 0.00 C ATOM 1064 CD1 LEU C 19 4.912 4.591 2.365 1.00 0.00 C ATOM 1065 CD2 LEU C 19 4.786 6.986 2.924 1.00 0.00 C ATOM 0 H LEU C 19 0.826 4.734 4.582 1.00 0.00 H new ATOM 0 HA LEU C 19 2.065 7.310 3.906 1.00 0.00 H new ATOM 0 HB2 LEU C 19 2.329 4.708 2.344 1.00 0.00 H new ATOM 0 HB3 LEU C 19 2.650 6.284 1.648 1.00 0.00 H new ATOM 0 HG LEU C 19 4.063 5.381 4.144 1.00 0.00 H new ATOM 0 HD11 LEU C 19 5.929 4.576 2.757 1.00 0.00 H new ATOM 0 HD12 LEU C 19 4.450 3.615 2.516 1.00 0.00 H new ATOM 0 HD13 LEU C 19 4.938 4.819 1.299 1.00 0.00 H new ATOM 0 HD21 LEU C 19 5.811 6.922 3.290 1.00 0.00 H new ATOM 0 HD22 LEU C 19 4.794 7.263 1.870 1.00 0.00 H new ATOM 0 HD23 LEU C 19 4.244 7.741 3.493 1.00 0.00 H new ATOM 1077 N PRO C 20 -0.621 7.233 3.588 1.00 0.00 N ATOM 1078 CA PRO C 20 -1.944 7.514 3.040 1.00 0.00 C ATOM 1079 C PRO C 20 -1.994 8.850 2.305 1.00 0.00 C ATOM 1080 O PRO C 20 -2.995 9.193 1.676 1.00 0.00 O ATOM 1081 CB PRO C 20 -2.816 7.550 4.288 1.00 0.00 C ATOM 1082 CG PRO C 20 -1.921 8.076 5.361 1.00 0.00 C ATOM 1083 CD PRO C 20 -0.507 7.696 4.985 1.00 0.00 C ATOM 0 HA PRO C 20 -2.257 6.779 2.298 1.00 0.00 H new ATOM 0 HB2 PRO C 20 -3.684 8.193 4.146 1.00 0.00 H new ATOM 0 HB3 PRO C 20 -3.192 6.558 4.537 1.00 0.00 H new ATOM 0 HG2 PRO C 20 -2.019 9.158 5.448 1.00 0.00 H new ATOM 0 HG3 PRO C 20 -2.189 7.652 6.329 1.00 0.00 H new ATOM 0 HD2 PRO C 20 0.171 8.546 5.070 1.00 0.00 H new ATOM 0 HD3 PRO C 20 -0.118 6.912 5.635 1.00 0.00 H new ATOM 1091 N ASN C 21 -0.907 9.605 2.397 1.00 0.00 N ATOM 1092 CA ASN C 21 -0.810 10.889 1.711 1.00 0.00 C ATOM 1093 C ASN C 21 -0.231 10.692 0.322 1.00 0.00 C ATOM 1094 O ASN C 21 -0.197 11.618 -0.489 1.00 0.00 O ATOM 1095 CB ASN C 21 0.058 11.872 2.499 1.00 0.00 C ATOM 1096 CG ASN C 21 -0.495 12.161 3.879 1.00 0.00 C ATOM 1097 OD1 ASN C 21 -0.177 11.465 4.841 1.00 0.00 O ATOM 1098 ND2 ASN C 21 -1.320 13.190 3.987 1.00 0.00 N ATOM 0 H ASN C 21 -0.081 9.352 2.939 1.00 0.00 H new ATOM 0 HA ASN C 21 -1.814 11.307 1.631 1.00 0.00 H new ATOM 0 HB2 ASN C 21 1.065 11.467 2.593 1.00 0.00 H new ATOM 0 HB3 ASN C 21 0.141 12.805 1.942 1.00 0.00 H new ATOM 0 HD21 ASN C 21 -1.718 13.431 4.895 1.00 0.00 H new ATOM 0 HD22 ASN C 21 -1.558 13.742 3.163 1.00 0.00 H new ATOM 1105 N LEU C 22 0.239 9.480 0.057 1.00 0.00 N ATOM 1106 CA LEU C 22 0.735 9.135 -1.258 1.00 0.00 C ATOM 1107 C LEU C 22 -0.403 9.078 -2.254 1.00 0.00 C ATOM 1108 O LEU C 22 -1.466 8.526 -1.970 1.00 0.00 O ATOM 1109 CB LEU C 22 1.456 7.792 -1.231 1.00 0.00 C ATOM 1110 CG LEU C 22 2.816 7.783 -0.544 1.00 0.00 C ATOM 1111 CD1 LEU C 22 3.428 6.397 -0.623 1.00 0.00 C ATOM 1112 CD2 LEU C 22 3.739 8.803 -1.178 1.00 0.00 C ATOM 0 H LEU C 22 0.285 8.723 0.739 1.00 0.00 H new ATOM 0 HA LEU C 22 1.441 9.907 -1.563 1.00 0.00 H new ATOM 0 HB2 LEU C 22 0.814 7.066 -0.733 1.00 0.00 H new ATOM 0 HB3 LEU C 22 1.586 7.450 -2.258 1.00 0.00 H new ATOM 0 HG LEU C 22 2.679 8.049 0.504 1.00 0.00 H new ATOM 0 HD11 LEU C 22 4.400 6.400 -0.130 1.00 0.00 H new ATOM 0 HD12 LEU C 22 2.772 5.681 -0.128 1.00 0.00 H new ATOM 0 HD13 LEU C 22 3.553 6.113 -1.668 1.00 0.00 H new ATOM 0 HD21 LEU C 22 4.705 8.782 -0.674 1.00 0.00 H new ATOM 0 HD22 LEU C 22 3.875 8.565 -2.233 1.00 0.00 H new ATOM 0 HD23 LEU C 22 3.302 9.797 -1.084 1.00 0.00 H new ATOM 1124 N ASN C 23 -0.184 9.667 -3.414 1.00 0.00 N ATOM 1125 CA ASN C 23 -1.165 9.597 -4.483 1.00 0.00 C ATOM 1126 C ASN C 23 -1.127 8.203 -5.085 1.00 0.00 C ATOM 1127 O ASN C 23 -0.044 7.629 -5.189 1.00 0.00 O ATOM 1128 CB ASN C 23 -0.891 10.633 -5.583 1.00 0.00 C ATOM 1129 CG ASN C 23 -0.836 12.060 -5.071 1.00 0.00 C ATOM 1130 OD1 ASN C 23 -1.866 12.706 -4.893 1.00 0.00 O ATOM 1131 ND2 ASN C 23 0.370 12.575 -4.877 1.00 0.00 N ATOM 0 H ASN C 23 0.658 10.196 -3.641 1.00 0.00 H new ATOM 0 HA ASN C 23 -2.147 9.815 -4.062 1.00 0.00 H new ATOM 0 HB2 ASN C 23 0.055 10.393 -6.069 1.00 0.00 H new ATOM 0 HB3 ASN C 23 -1.668 10.558 -6.343 1.00 0.00 H new ATOM 0 HD21 ASN C 23 0.468 13.542 -4.568 1.00 0.00 H new ATOM 0 HD22 ASN C 23 1.200 12.004 -5.036 1.00 0.00 H new ATOM 1138 N PRO C 24 -2.280 7.619 -5.448 1.00 0.00 N ATOM 1139 CA PRO C 24 -2.330 6.290 -6.074 1.00 0.00 C ATOM 1140 C PRO C 24 -1.268 6.123 -7.162 1.00 0.00 C ATOM 1141 O PRO C 24 -0.508 5.152 -7.158 1.00 0.00 O ATOM 1142 CB PRO C 24 -3.734 6.254 -6.666 1.00 0.00 C ATOM 1143 CG PRO C 24 -4.542 7.079 -5.727 1.00 0.00 C ATOM 1144 CD PRO C 24 -3.629 8.187 -5.264 1.00 0.00 C ATOM 0 HA PRO C 24 -2.128 5.483 -5.369 1.00 0.00 H new ATOM 0 HB2 PRO C 24 -3.752 6.665 -7.675 1.00 0.00 H new ATOM 0 HB3 PRO C 24 -4.114 5.234 -6.730 1.00 0.00 H new ATOM 0 HG2 PRO C 24 -5.426 7.482 -6.222 1.00 0.00 H new ATOM 0 HG3 PRO C 24 -4.892 6.483 -4.884 1.00 0.00 H new ATOM 0 HD2 PRO C 24 -3.767 9.094 -5.853 1.00 0.00 H new ATOM 0 HD3 PRO C 24 -3.815 8.452 -4.223 1.00 0.00 H new ATOM 1152 N ASP C 25 -1.201 7.099 -8.063 1.00 0.00 N ATOM 1153 CA ASP C 25 -0.205 7.114 -9.136 1.00 0.00 C ATOM 1154 C ASP C 25 1.219 7.047 -8.577 1.00 0.00 C ATOM 1155 O ASP C 25 2.072 6.334 -9.109 1.00 0.00 O ATOM 1156 CB ASP C 25 -0.374 8.383 -9.976 1.00 0.00 C ATOM 1157 CG ASP C 25 0.657 8.509 -11.081 1.00 0.00 C ATOM 1158 OD1 ASP C 25 0.422 7.976 -12.184 1.00 0.00 O ATOM 1159 OD2 ASP C 25 1.698 9.163 -10.858 1.00 0.00 O ATOM 0 H ASP C 25 -1.832 7.900 -8.072 1.00 0.00 H new ATOM 0 HA ASP C 25 -0.363 6.234 -9.760 1.00 0.00 H new ATOM 0 HB2 ASP C 25 -1.371 8.390 -10.416 1.00 0.00 H new ATOM 0 HB3 ASP C 25 -0.307 9.254 -9.324 1.00 0.00 H new ATOM 1164 N GLN C 26 1.455 7.774 -7.488 1.00 0.00 N ATOM 1165 CA GLN C 26 2.772 7.826 -6.861 1.00 0.00 C ATOM 1166 C GLN C 26 3.120 6.506 -6.181 1.00 0.00 C ATOM 1167 O GLN C 26 4.136 5.887 -6.498 1.00 0.00 O ATOM 1168 CB GLN C 26 2.845 8.963 -5.831 1.00 0.00 C ATOM 1169 CG GLN C 26 2.887 10.356 -6.442 1.00 0.00 C ATOM 1170 CD GLN C 26 4.082 10.555 -7.359 1.00 0.00 C ATOM 1171 OE1 GLN C 26 4.016 11.299 -8.333 1.00 0.00 O ATOM 1172 NE2 GLN C 26 5.190 9.901 -7.047 1.00 0.00 N ATOM 0 H GLN C 26 0.746 8.338 -7.019 1.00 0.00 H new ATOM 0 HA GLN C 26 3.496 8.012 -7.654 1.00 0.00 H new ATOM 0 HB2 GLN C 26 1.982 8.895 -5.169 1.00 0.00 H new ATOM 0 HB3 GLN C 26 3.732 8.822 -5.213 1.00 0.00 H new ATOM 0 HG2 GLN C 26 1.969 10.530 -7.004 1.00 0.00 H new ATOM 0 HG3 GLN C 26 2.918 11.098 -5.644 1.00 0.00 H new ATOM 0 HE21 GLN C 26 5.209 9.291 -6.230 1.00 0.00 H new ATOM 0 HE22 GLN C 26 6.025 10.007 -7.624 1.00 0.00 H new ATOM 1181 N LEU C 27 2.269 6.068 -5.258 1.00 0.00 N ATOM 1182 CA LEU C 27 2.549 4.872 -4.467 1.00 0.00 C ATOM 1183 C LEU C 27 2.541 3.615 -5.331 1.00 0.00 C ATOM 1184 O LEU C 27 3.154 2.609 -4.977 1.00 0.00 O ATOM 1185 CB LEU C 27 1.569 4.744 -3.287 1.00 0.00 C ATOM 1186 CG LEU C 27 0.079 4.901 -3.612 1.00 0.00 C ATOM 1187 CD1 LEU C 27 -0.482 3.638 -4.242 1.00 0.00 C ATOM 1188 CD2 LEU C 27 -0.696 5.280 -2.357 1.00 0.00 C ATOM 0 H LEU C 27 1.382 6.521 -5.039 1.00 0.00 H new ATOM 0 HA LEU C 27 3.553 4.979 -4.056 1.00 0.00 H new ATOM 0 HB2 LEU C 27 1.716 3.767 -2.826 1.00 0.00 H new ATOM 0 HB3 LEU C 27 1.835 5.492 -2.540 1.00 0.00 H new ATOM 0 HG LEU C 27 -0.031 5.704 -4.340 1.00 0.00 H new ATOM 0 HD11 LEU C 27 -1.540 3.780 -4.461 1.00 0.00 H new ATOM 0 HD12 LEU C 27 0.054 3.423 -5.166 1.00 0.00 H new ATOM 0 HD13 LEU C 27 -0.363 2.803 -3.551 1.00 0.00 H new ATOM 0 HD21 LEU C 27 -1.753 5.389 -2.601 1.00 0.00 H new ATOM 0 HD22 LEU C 27 -0.575 4.500 -1.605 1.00 0.00 H new ATOM 0 HD23 LEU C 27 -0.315 6.223 -1.965 1.00 0.00 H new ATOM 1200 N CYS C 28 1.867 3.688 -6.473 1.00 0.00 N ATOM 1201 CA CYS C 28 1.818 2.573 -7.407 1.00 0.00 C ATOM 1202 C CYS C 28 3.231 2.184 -7.832 1.00 0.00 C ATOM 1203 O CYS C 28 3.588 1.004 -7.838 1.00 0.00 O ATOM 1204 CB CYS C 28 0.981 2.948 -8.633 1.00 0.00 C ATOM 1205 SG CYS C 28 0.578 1.546 -9.729 1.00 0.00 S ATOM 0 H CYS C 28 1.346 4.511 -6.774 1.00 0.00 H new ATOM 0 HA CYS C 28 1.352 1.720 -6.914 1.00 0.00 H new ATOM 0 HB2 CYS C 28 0.052 3.409 -8.296 1.00 0.00 H new ATOM 0 HB3 CYS C 28 1.520 3.700 -9.209 1.00 0.00 H new ATOM 1210 N ALA C 29 4.043 3.189 -8.146 1.00 0.00 N ATOM 1211 CA ALA C 29 5.416 2.967 -8.578 1.00 0.00 C ATOM 1212 C ALA C 29 6.233 2.300 -7.477 1.00 0.00 C ATOM 1213 O ALA C 29 7.058 1.424 -7.742 1.00 0.00 O ATOM 1214 CB ALA C 29 6.055 4.285 -8.989 1.00 0.00 C ATOM 0 H ALA C 29 3.770 4.171 -8.108 1.00 0.00 H new ATOM 0 HA ALA C 29 5.401 2.299 -9.439 1.00 0.00 H new ATOM 0 HB1 ALA C 29 7.081 4.107 -9.310 1.00 0.00 H new ATOM 0 HB2 ALA C 29 5.488 4.723 -9.811 1.00 0.00 H new ATOM 0 HB3 ALA C 29 6.054 4.970 -8.141 1.00 0.00 H new ATOM 1220 N PHE C 30 5.981 2.701 -6.238 1.00 0.00 N ATOM 1221 CA PHE C 30 6.703 2.153 -5.099 1.00 0.00 C ATOM 1222 C PHE C 30 6.302 0.707 -4.844 1.00 0.00 C ATOM 1223 O PHE C 30 7.140 -0.120 -4.497 1.00 0.00 O ATOM 1224 CB PHE C 30 6.471 3.004 -3.852 1.00 0.00 C ATOM 1225 CG PHE C 30 7.113 4.357 -3.941 1.00 0.00 C ATOM 1226 CD1 PHE C 30 6.384 5.464 -4.339 1.00 0.00 C ATOM 1227 CD2 PHE C 30 8.453 4.516 -3.634 1.00 0.00 C ATOM 1228 CE1 PHE C 30 6.978 6.706 -4.429 1.00 0.00 C ATOM 1229 CE2 PHE C 30 9.052 5.755 -3.721 1.00 0.00 C ATOM 1230 CZ PHE C 30 8.316 6.852 -4.119 1.00 0.00 C ATOM 0 H PHE C 30 5.282 3.404 -5.997 1.00 0.00 H new ATOM 0 HA PHE C 30 7.767 2.172 -5.334 1.00 0.00 H new ATOM 0 HB2 PHE C 30 5.399 3.126 -3.695 1.00 0.00 H new ATOM 0 HB3 PHE C 30 6.863 2.478 -2.981 1.00 0.00 H new ATOM 0 HD1 PHE C 30 5.337 5.354 -4.582 1.00 0.00 H new ATOM 0 HD2 PHE C 30 9.035 3.661 -3.323 1.00 0.00 H new ATOM 0 HE1 PHE C 30 6.398 7.562 -4.741 1.00 0.00 H new ATOM 0 HE2 PHE C 30 10.098 5.867 -3.477 1.00 0.00 H new ATOM 0 HZ PHE C 30 8.785 7.822 -4.188 1.00 0.00 H new ATOM 1240 N ILE C 31 5.024 0.401 -5.035 1.00 0.00 N ATOM 1241 CA ILE C 31 4.541 -0.968 -4.892 1.00 0.00 C ATOM 1242 C ILE C 31 5.235 -1.887 -5.893 1.00 0.00 C ATOM 1243 O ILE C 31 5.694 -2.974 -5.541 1.00 0.00 O ATOM 1244 CB ILE C 31 3.015 -1.053 -5.086 1.00 0.00 C ATOM 1245 CG1 ILE C 31 2.297 -0.260 -3.993 1.00 0.00 C ATOM 1246 CG2 ILE C 31 2.555 -2.504 -5.085 1.00 0.00 C ATOM 1247 CD1 ILE C 31 0.792 -0.283 -4.121 1.00 0.00 C ATOM 0 H ILE C 31 4.306 1.079 -5.288 1.00 0.00 H new ATOM 0 HA ILE C 31 4.777 -1.292 -3.878 1.00 0.00 H new ATOM 0 HB ILE C 31 2.764 -0.617 -6.053 1.00 0.00 H new ATOM 0 HG12 ILE C 31 2.577 -0.663 -3.020 1.00 0.00 H new ATOM 0 HG13 ILE C 31 2.640 0.774 -4.021 1.00 0.00 H new ATOM 0 HG21 ILE C 31 1.475 -2.543 -5.223 1.00 0.00 H new ATOM 0 HG22 ILE C 31 3.044 -3.041 -5.897 1.00 0.00 H new ATOM 0 HG23 ILE C 31 2.816 -2.968 -4.134 1.00 0.00 H new ATOM 0 HD11 ILE C 31 0.349 0.299 -3.313 1.00 0.00 H new ATOM 0 HD12 ILE C 31 0.502 0.147 -5.080 1.00 0.00 H new ATOM 0 HD13 ILE C 31 0.438 -1.312 -4.063 1.00 0.00 H new ATOM 1259 N HIS C 32 5.319 -1.438 -7.141 1.00 0.00 N ATOM 1260 CA HIS C 32 6.036 -2.187 -8.172 1.00 0.00 C ATOM 1261 C HIS C 32 7.505 -2.351 -7.784 1.00 0.00 C ATOM 1262 O HIS C 32 8.117 -3.381 -8.053 1.00 0.00 O ATOM 1263 CB HIS C 32 5.942 -1.499 -9.538 1.00 0.00 C ATOM 1264 CG HIS C 32 4.599 -1.610 -10.200 1.00 0.00 C ATOM 1265 ND1 HIS C 32 4.291 -2.584 -11.123 1.00 0.00 N ATOM 1266 CD2 HIS C 32 3.486 -0.850 -10.080 1.00 0.00 C ATOM 1267 CE1 HIS C 32 3.051 -2.413 -11.543 1.00 0.00 C ATOM 1268 NE2 HIS C 32 2.539 -1.366 -10.925 1.00 0.00 N ATOM 0 H HIS C 32 4.903 -0.565 -7.464 1.00 0.00 H new ATOM 0 HA HIS C 32 5.566 -3.167 -8.250 1.00 0.00 H new ATOM 0 HB2 HIS C 32 6.187 -0.444 -9.417 1.00 0.00 H new ATOM 0 HB3 HIS C 32 6.695 -1.927 -10.199 1.00 0.00 H new ATOM 0 HD2 HIS C 32 3.366 0.008 -9.435 1.00 0.00 H new ATOM 0 HE1 HIS C 32 2.541 -3.027 -12.271 1.00 0.00 H new ATOM 0 HE2 HIS C 32 1.595 -1.001 -11.055 1.00 0.00 H new ATOM 1277 N SER C 33 8.052 -1.337 -7.128 1.00 0.00 N ATOM 1278 CA SER C 33 9.443 -1.364 -6.697 1.00 0.00 C ATOM 1279 C SER C 33 9.649 -2.378 -5.571 1.00 0.00 C ATOM 1280 O SER C 33 10.671 -3.054 -5.525 1.00 0.00 O ATOM 1281 CB SER C 33 9.880 0.031 -6.253 1.00 0.00 C ATOM 1282 OG SER C 33 9.695 0.975 -7.297 1.00 0.00 O ATOM 0 H SER C 33 7.552 -0.483 -6.882 1.00 0.00 H new ATOM 0 HA SER C 33 10.060 -1.674 -7.541 1.00 0.00 H new ATOM 0 HB2 SER C 33 9.307 0.334 -5.377 1.00 0.00 H new ATOM 0 HB3 SER C 33 10.929 0.011 -5.957 1.00 0.00 H new ATOM 0 HG SER C 33 8.747 1.216 -7.356 1.00 0.00 H new ATOM 1288 N ILE C 34 8.671 -2.489 -4.672 1.00 0.00 N ATOM 1289 CA ILE C 34 8.717 -3.495 -3.610 1.00 0.00 C ATOM 1290 C ILE C 34 8.628 -4.889 -4.217 1.00 0.00 C ATOM 1291 O ILE C 34 9.217 -5.847 -3.718 1.00 0.00 O ATOM 1292 CB ILE C 34 7.566 -3.309 -2.592 1.00 0.00 C ATOM 1293 CG1 ILE C 34 7.635 -1.920 -1.951 1.00 0.00 C ATOM 1294 CG2 ILE C 34 7.611 -4.394 -1.520 1.00 0.00 C ATOM 1295 CD1 ILE C 34 8.897 -1.682 -1.155 1.00 0.00 C ATOM 0 H ILE C 34 7.840 -1.897 -4.657 1.00 0.00 H new ATOM 0 HA ILE C 34 9.662 -3.373 -3.081 1.00 0.00 H new ATOM 0 HB ILE C 34 6.621 -3.397 -3.127 1.00 0.00 H new ATOM 0 HG12 ILE C 34 7.561 -1.164 -2.733 1.00 0.00 H new ATOM 0 HG13 ILE C 34 6.773 -1.788 -1.297 1.00 0.00 H new ATOM 0 HG21 ILE C 34 6.793 -4.243 -0.815 1.00 0.00 H new ATOM 0 HG22 ILE C 34 7.511 -5.373 -1.989 1.00 0.00 H new ATOM 0 HG23 ILE C 34 8.561 -4.342 -0.989 1.00 0.00 H new ATOM 0 HD11 ILE C 34 8.876 -0.678 -0.731 1.00 0.00 H new ATOM 0 HD12 ILE C 34 8.963 -2.415 -0.351 1.00 0.00 H new ATOM 0 HD13 ILE C 34 9.764 -1.781 -1.809 1.00 0.00 H new ATOM 1307 N HIS C 35 7.877 -4.987 -5.298 1.00 0.00 N ATOM 1308 CA HIS C 35 7.752 -6.231 -6.045 1.00 0.00 C ATOM 1309 C HIS C 35 9.089 -6.628 -6.666 1.00 0.00 C ATOM 1310 O HIS C 35 9.589 -7.730 -6.444 1.00 0.00 O ATOM 1311 CB HIS C 35 6.688 -6.082 -7.142 1.00 0.00 C ATOM 1312 CG HIS C 35 6.669 -7.211 -8.130 1.00 0.00 C ATOM 1313 ND1 HIS C 35 7.353 -7.173 -9.326 1.00 0.00 N ATOM 1314 CD2 HIS C 35 6.053 -8.413 -8.090 1.00 0.00 C ATOM 1315 CE1 HIS C 35 7.156 -8.303 -9.976 1.00 0.00 C ATOM 1316 NE2 HIS C 35 6.372 -9.072 -9.249 1.00 0.00 N ATOM 0 H HIS C 35 7.338 -4.212 -5.684 1.00 0.00 H new ATOM 0 HA HIS C 35 7.447 -7.016 -5.354 1.00 0.00 H new ATOM 0 HB2 HIS C 35 5.707 -6.006 -6.674 1.00 0.00 H new ATOM 0 HB3 HIS C 35 6.860 -5.148 -7.676 1.00 0.00 H new ATOM 0 HD1 HIS C 35 7.922 -6.393 -9.656 1.00 0.00 H new ATOM 0 HD2 HIS C 35 5.426 -8.785 -7.293 1.00 0.00 H new ATOM 0 HE1 HIS C 35 7.568 -8.555 -10.942 1.00 0.00 H new ATOM 1325 N ASP C 36 9.659 -5.722 -7.446 1.00 0.00 N ATOM 1326 CA ASP C 36 10.868 -6.012 -8.204 1.00 0.00 C ATOM 1327 C ASP C 36 12.113 -5.964 -7.330 1.00 0.00 C ATOM 1328 O ASP C 36 13.162 -6.492 -7.701 1.00 0.00 O ATOM 1329 CB ASP C 36 11.006 -5.042 -9.378 1.00 0.00 C ATOM 1330 CG ASP C 36 10.042 -5.361 -10.503 1.00 0.00 C ATOM 1331 OD1 ASP C 36 10.490 -5.896 -11.537 1.00 0.00 O ATOM 1332 OD2 ASP C 36 8.829 -5.097 -10.355 1.00 0.00 O ATOM 0 H ASP C 36 9.302 -4.775 -7.571 1.00 0.00 H new ATOM 0 HA ASP C 36 10.776 -7.028 -8.588 1.00 0.00 H new ATOM 0 HB2 ASP C 36 10.830 -4.025 -9.029 1.00 0.00 H new ATOM 0 HB3 ASP C 36 12.027 -5.076 -9.757 1.00 0.00 H new ATOM 1337 N ASP C 37 11.999 -5.346 -6.167 1.00 0.00 N ATOM 1338 CA ASP C 37 13.122 -5.260 -5.247 1.00 0.00 C ATOM 1339 C ASP C 37 12.638 -5.189 -3.802 1.00 0.00 C ATOM 1340 O ASP C 37 12.618 -4.120 -3.190 1.00 0.00 O ATOM 1341 CB ASP C 37 14.004 -4.051 -5.556 1.00 0.00 C ATOM 1342 CG ASP C 37 15.401 -4.238 -5.012 1.00 0.00 C ATOM 1343 OD1 ASP C 37 16.362 -4.170 -5.808 1.00 0.00 O ATOM 1344 OD2 ASP C 37 15.548 -4.492 -3.801 1.00 0.00 O ATOM 0 H ASP C 37 11.144 -4.898 -5.837 1.00 0.00 H new ATOM 0 HA ASP C 37 13.717 -6.164 -5.377 1.00 0.00 H new ATOM 0 HB2 ASP C 37 14.049 -3.897 -6.634 1.00 0.00 H new ATOM 0 HB3 ASP C 37 13.560 -3.154 -5.124 1.00 0.00 H new ATOM 1349 N PRO C 38 12.232 -6.332 -3.242 1.00 0.00 N ATOM 1350 CA PRO C 38 11.812 -6.423 -1.841 1.00 0.00 C ATOM 1351 C PRO C 38 12.984 -6.303 -0.865 1.00 0.00 C ATOM 1352 O PRO C 38 12.791 -6.290 0.347 1.00 0.00 O ATOM 1353 CB PRO C 38 11.182 -7.814 -1.755 1.00 0.00 C ATOM 1354 CG PRO C 38 11.871 -8.597 -2.817 1.00 0.00 C ATOM 1355 CD PRO C 38 12.108 -7.626 -3.938 1.00 0.00 C ATOM 0 HA PRO C 38 11.137 -5.613 -1.565 1.00 0.00 H new ATOM 0 HB2 PRO C 38 11.333 -8.259 -0.772 1.00 0.00 H new ATOM 0 HB3 PRO C 38 10.106 -7.774 -1.925 1.00 0.00 H new ATOM 0 HG2 PRO C 38 12.810 -9.013 -2.452 1.00 0.00 H new ATOM 0 HG3 PRO C 38 11.258 -9.436 -3.147 1.00 0.00 H new ATOM 0 HD2 PRO C 38 13.011 -7.870 -4.498 1.00 0.00 H new ATOM 0 HD3 PRO C 38 11.282 -7.623 -4.650 1.00 0.00 H new ATOM 1363 N SER C 39 14.199 -6.223 -1.394 1.00 0.00 N ATOM 1364 CA SER C 39 15.377 -6.031 -0.559 1.00 0.00 C ATOM 1365 C SER C 39 15.561 -4.553 -0.215 1.00 0.00 C ATOM 1366 O SER C 39 15.914 -4.210 0.913 1.00 0.00 O ATOM 1367 CB SER C 39 16.617 -6.604 -1.250 1.00 0.00 C ATOM 1368 OG SER C 39 16.480 -6.575 -2.663 1.00 0.00 O ATOM 0 H SER C 39 14.393 -6.288 -2.393 1.00 0.00 H new ATOM 0 HA SER C 39 15.235 -6.571 0.377 1.00 0.00 H new ATOM 0 HB2 SER C 39 17.497 -6.032 -0.956 1.00 0.00 H new ATOM 0 HB3 SER C 39 16.779 -7.630 -0.919 1.00 0.00 H new ATOM 0 HG SER C 39 16.169 -5.689 -2.943 1.00 0.00 H new ATOM 1374 N GLN C 40 15.302 -3.684 -1.184 1.00 0.00 N ATOM 1375 CA GLN C 40 15.324 -2.247 -0.967 1.00 0.00 C ATOM 1376 C GLN C 40 14.037 -1.773 -0.311 1.00 0.00 C ATOM 1377 O GLN C 40 13.825 -0.577 -0.173 1.00 0.00 O ATOM 1378 CB GLN C 40 15.518 -1.527 -2.292 1.00 0.00 C ATOM 1379 CG GLN C 40 16.799 -1.917 -2.982 1.00 0.00 C ATOM 1380 CD GLN C 40 18.018 -1.274 -2.357 1.00 0.00 C ATOM 1381 OE1 GLN C 40 18.614 -1.821 -1.431 1.00 0.00 O ATOM 1382 NE2 GLN C 40 18.399 -0.111 -2.860 1.00 0.00 N ATOM 0 H GLN C 40 15.072 -3.957 -2.139 1.00 0.00 H new ATOM 0 HA GLN C 40 16.155 -2.017 -0.300 1.00 0.00 H new ATOM 0 HB2 GLN C 40 14.675 -1.747 -2.947 1.00 0.00 H new ATOM 0 HB3 GLN C 40 15.516 -0.451 -2.120 1.00 0.00 H new ATOM 0 HG2 GLN C 40 16.909 -3.001 -2.950 1.00 0.00 H new ATOM 0 HG3 GLN C 40 16.742 -1.633 -4.033 1.00 0.00 H new ATOM 0 HE21 GLN C 40 17.876 0.308 -3.629 1.00 0.00 H new ATOM 0 HE22 GLN C 40 19.216 0.366 -2.479 1.00 0.00 H new ATOM 1391 N SER C 41 13.164 -2.723 0.017 1.00 0.00 N ATOM 1392 CA SER C 41 11.846 -2.441 0.600 1.00 0.00 C ATOM 1393 C SER C 41 11.869 -1.259 1.584 1.00 0.00 C ATOM 1394 O SER C 41 11.138 -0.283 1.400 1.00 0.00 O ATOM 1395 CB SER C 41 11.315 -3.695 1.297 1.00 0.00 C ATOM 1396 OG SER C 41 9.979 -3.517 1.721 1.00 0.00 O ATOM 0 H SER C 41 13.349 -3.718 -0.113 1.00 0.00 H new ATOM 0 HA SER C 41 11.184 -2.156 -0.218 1.00 0.00 H new ATOM 0 HB2 SER C 41 11.373 -4.545 0.617 1.00 0.00 H new ATOM 0 HB3 SER C 41 11.944 -3.931 2.156 1.00 0.00 H new ATOM 0 HG SER C 41 9.436 -4.274 1.417 1.00 0.00 H new ATOM 1402 N ALA C 42 12.709 -1.350 2.615 1.00 0.00 N ATOM 1403 CA ALA C 42 12.865 -0.273 3.593 1.00 0.00 C ATOM 1404 C ALA C 42 13.182 1.060 2.929 1.00 0.00 C ATOM 1405 O ALA C 42 12.666 2.103 3.326 1.00 0.00 O ATOM 1406 CB ALA C 42 13.970 -0.625 4.570 1.00 0.00 C ATOM 0 H ALA C 42 13.296 -2.165 2.795 1.00 0.00 H new ATOM 0 HA ALA C 42 11.916 -0.167 4.119 1.00 0.00 H new ATOM 0 HB1 ALA C 42 14.083 0.180 5.297 1.00 0.00 H new ATOM 0 HB2 ALA C 42 13.716 -1.549 5.089 1.00 0.00 H new ATOM 0 HB3 ALA C 42 14.906 -0.758 4.028 1.00 0.00 H new ATOM 1412 N ASN C 43 14.032 1.007 1.921 1.00 0.00 N ATOM 1413 CA ASN C 43 14.463 2.197 1.202 1.00 0.00 C ATOM 1414 C ASN C 43 13.355 2.738 0.311 1.00 0.00 C ATOM 1415 O ASN C 43 13.201 3.953 0.183 1.00 0.00 O ATOM 1416 CB ASN C 43 15.717 1.892 0.377 1.00 0.00 C ATOM 1417 CG ASN C 43 16.130 3.042 -0.527 1.00 0.00 C ATOM 1418 OD1 ASN C 43 16.848 3.949 -0.109 1.00 0.00 O ATOM 1419 ND2 ASN C 43 15.704 2.998 -1.783 1.00 0.00 N ATOM 0 H ASN C 43 14.444 0.140 1.576 1.00 0.00 H new ATOM 0 HA ASN C 43 14.703 2.967 1.936 1.00 0.00 H new ATOM 0 HB2 ASN C 43 16.540 1.654 1.052 1.00 0.00 H new ATOM 0 HB3 ASN C 43 15.538 1.006 -0.232 1.00 0.00 H new ATOM 0 HD21 ASN C 43 15.971 3.733 -2.438 1.00 0.00 H new ATOM 0 HD22 ASN C 43 15.110 2.229 -2.093 1.00 0.00 H new ATOM 1426 N LEU C 44 12.572 1.852 -0.301 1.00 0.00 N ATOM 1427 CA LEU C 44 11.436 2.299 -1.092 1.00 0.00 C ATOM 1428 C LEU C 44 10.422 2.970 -0.179 1.00 0.00 C ATOM 1429 O LEU C 44 9.750 3.922 -0.576 1.00 0.00 O ATOM 1430 CB LEU C 44 10.765 1.147 -1.861 1.00 0.00 C ATOM 1431 CG LEU C 44 11.495 0.621 -3.112 1.00 0.00 C ATOM 1432 CD1 LEU C 44 12.464 1.646 -3.679 1.00 0.00 C ATOM 1433 CD2 LEU C 44 12.209 -0.688 -2.828 1.00 0.00 C ATOM 0 H LEU C 44 12.702 0.841 -0.264 1.00 0.00 H new ATOM 0 HA LEU C 44 11.807 3.006 -1.834 1.00 0.00 H new ATOM 0 HB2 LEU C 44 10.630 0.313 -1.172 1.00 0.00 H new ATOM 0 HB3 LEU C 44 9.770 1.475 -2.162 1.00 0.00 H new ATOM 0 HG LEU C 44 10.731 0.436 -3.867 1.00 0.00 H new ATOM 0 HD11 LEU C 44 12.956 1.233 -4.560 1.00 0.00 H new ATOM 0 HD12 LEU C 44 11.918 2.547 -3.958 1.00 0.00 H new ATOM 0 HD13 LEU C 44 13.213 1.893 -2.927 1.00 0.00 H new ATOM 0 HD21 LEU C 44 12.713 -1.031 -3.731 1.00 0.00 H new ATOM 0 HD22 LEU C 44 12.944 -0.538 -2.037 1.00 0.00 H new ATOM 0 HD23 LEU C 44 11.483 -1.437 -2.511 1.00 0.00 H new ATOM 1445 N LEU C 45 10.333 2.484 1.057 1.00 0.00 N ATOM 1446 CA LEU C 45 9.455 3.065 2.038 1.00 0.00 C ATOM 1447 C LEU C 45 10.014 4.382 2.549 1.00 0.00 C ATOM 1448 O LEU C 45 9.273 5.334 2.756 1.00 0.00 O ATOM 1449 CB LEU C 45 9.265 2.068 3.169 1.00 0.00 C ATOM 1450 CG LEU C 45 8.394 0.877 2.812 1.00 0.00 C ATOM 1451 CD1 LEU C 45 8.524 -0.197 3.855 1.00 0.00 C ATOM 1452 CD2 LEU C 45 6.946 1.275 2.622 1.00 0.00 C ATOM 0 H LEU C 45 10.868 1.683 1.393 1.00 0.00 H new ATOM 0 HA LEU C 45 8.488 3.284 1.586 1.00 0.00 H new ATOM 0 HB2 LEU C 45 10.243 1.706 3.487 1.00 0.00 H new ATOM 0 HB3 LEU C 45 8.823 2.584 4.022 1.00 0.00 H new ATOM 0 HG LEU C 45 8.746 0.482 1.859 1.00 0.00 H new ATOM 0 HD11 LEU C 45 7.894 -1.044 3.585 1.00 0.00 H new ATOM 0 HD12 LEU C 45 9.563 -0.522 3.915 1.00 0.00 H new ATOM 0 HD13 LEU C 45 8.210 0.195 4.822 1.00 0.00 H new ATOM 0 HD21 LEU C 45 6.357 0.394 2.368 1.00 0.00 H new ATOM 0 HD22 LEU C 45 6.565 1.712 3.545 1.00 0.00 H new ATOM 0 HD23 LEU C 45 6.872 2.006 1.817 1.00 0.00 H new ATOM 1464 N ALA C 46 11.327 4.432 2.729 1.00 0.00 N ATOM 1465 CA ALA C 46 12.002 5.657 3.140 1.00 0.00 C ATOM 1466 C ALA C 46 11.807 6.749 2.095 1.00 0.00 C ATOM 1467 O ALA C 46 11.563 7.910 2.430 1.00 0.00 O ATOM 1468 CB ALA C 46 13.485 5.391 3.359 1.00 0.00 C ATOM 0 H ALA C 46 11.949 3.635 2.596 1.00 0.00 H new ATOM 0 HA ALA C 46 11.565 5.997 4.079 1.00 0.00 H new ATOM 0 HB1 ALA C 46 13.979 6.313 3.666 1.00 0.00 H new ATOM 0 HB2 ALA C 46 13.609 4.637 4.137 1.00 0.00 H new ATOM 0 HB3 ALA C 46 13.931 5.032 2.432 1.00 0.00 H new ATOM 1474 N GLU C 47 11.914 6.362 0.831 1.00 0.00 N ATOM 1475 CA GLU C 47 11.703 7.273 -0.287 1.00 0.00 C ATOM 1476 C GLU C 47 10.253 7.763 -0.313 1.00 0.00 C ATOM 1477 O GLU C 47 9.988 8.965 -0.396 1.00 0.00 O ATOM 1478 CB GLU C 47 12.051 6.557 -1.595 1.00 0.00 C ATOM 1479 CG GLU C 47 11.868 7.403 -2.843 1.00 0.00 C ATOM 1480 CD GLU C 47 12.855 8.549 -2.928 1.00 0.00 C ATOM 1481 OE1 GLU C 47 12.477 9.696 -2.610 1.00 0.00 O ATOM 1482 OE2 GLU C 47 14.016 8.308 -3.320 1.00 0.00 O ATOM 0 H GLU C 47 12.149 5.410 0.552 1.00 0.00 H new ATOM 0 HA GLU C 47 12.350 8.142 -0.170 1.00 0.00 H new ATOM 0 HB2 GLU C 47 13.087 6.222 -1.547 1.00 0.00 H new ATOM 0 HB3 GLU C 47 11.431 5.664 -1.682 1.00 0.00 H new ATOM 0 HG2 GLU C 47 11.977 6.770 -3.724 1.00 0.00 H new ATOM 0 HG3 GLU C 47 10.854 7.802 -2.860 1.00 0.00 H new ATOM 1489 N ALA C 48 9.319 6.824 -0.229 1.00 0.00 N ATOM 1490 CA ALA C 48 7.896 7.147 -0.237 1.00 0.00 C ATOM 1491 C ALA C 48 7.505 7.980 0.979 1.00 0.00 C ATOM 1492 O ALA C 48 6.636 8.849 0.898 1.00 0.00 O ATOM 1493 CB ALA C 48 7.072 5.872 -0.285 1.00 0.00 C ATOM 0 H ALA C 48 9.522 5.827 -0.154 1.00 0.00 H new ATOM 0 HA ALA C 48 7.692 7.741 -1.128 1.00 0.00 H new ATOM 0 HB1 ALA C 48 6.012 6.124 -0.291 1.00 0.00 H new ATOM 0 HB2 ALA C 48 7.317 5.314 -1.189 1.00 0.00 H new ATOM 0 HB3 ALA C 48 7.295 5.261 0.590 1.00 0.00 H new ATOM 1499 N LYS C 49 8.155 7.708 2.101 1.00 0.00 N ATOM 1500 CA LYS C 49 7.888 8.418 3.346 1.00 0.00 C ATOM 1501 C LYS C 49 8.303 9.878 3.262 1.00 0.00 C ATOM 1502 O LYS C 49 7.798 10.718 4.006 1.00 0.00 O ATOM 1503 CB LYS C 49 8.593 7.719 4.504 1.00 0.00 C ATOM 1504 CG LYS C 49 7.684 6.795 5.299 1.00 0.00 C ATOM 1505 CD LYS C 49 6.673 7.596 6.099 1.00 0.00 C ATOM 1506 CE LYS C 49 5.919 6.728 7.089 1.00 0.00 C ATOM 1507 NZ LYS C 49 4.968 7.529 7.904 1.00 0.00 N ATOM 0 H LYS C 49 8.879 6.993 2.176 1.00 0.00 H new ATOM 0 HA LYS C 49 6.812 8.400 3.522 1.00 0.00 H new ATOM 0 HB2 LYS C 49 9.432 7.143 4.114 1.00 0.00 H new ATOM 0 HB3 LYS C 49 9.008 8.472 5.174 1.00 0.00 H new ATOM 0 HG2 LYS C 49 7.165 6.117 4.622 1.00 0.00 H new ATOM 0 HG3 LYS C 49 8.281 6.179 5.971 1.00 0.00 H new ATOM 0 HD2 LYS C 49 7.185 8.396 6.634 1.00 0.00 H new ATOM 0 HD3 LYS C 49 5.965 8.070 5.419 1.00 0.00 H new ATOM 0 HE2 LYS C 49 5.375 5.951 6.552 1.00 0.00 H new ATOM 0 HE3 LYS C 49 6.628 6.224 7.746 1.00 0.00 H new ATOM 0 HZ1 LYS C 49 4.947 7.160 8.876 1.00 0.00 H new ATOM 0 HZ2 LYS C 49 5.274 8.523 7.917 1.00 0.00 H new ATOM 0 HZ3 LYS C 49 4.016 7.465 7.489 1.00 0.00 H new ATOM 1521 N LYS C 50 9.224 10.180 2.364 1.00 0.00 N ATOM 1522 CA LYS C 50 9.575 11.562 2.082 1.00 0.00 C ATOM 1523 C LYS C 50 8.428 12.223 1.324 1.00 0.00 C ATOM 1524 O LYS C 50 8.007 13.336 1.642 1.00 0.00 O ATOM 1525 CB LYS C 50 10.860 11.635 1.249 1.00 0.00 C ATOM 1526 CG LYS C 50 12.057 10.933 1.876 1.00 0.00 C ATOM 1527 CD LYS C 50 12.405 11.502 3.243 1.00 0.00 C ATOM 1528 CE LYS C 50 13.670 10.867 3.805 1.00 0.00 C ATOM 1529 NZ LYS C 50 13.549 9.388 3.932 1.00 0.00 N ATOM 0 H LYS C 50 9.741 9.490 1.819 1.00 0.00 H new ATOM 0 HA LYS C 50 9.748 12.084 3.023 1.00 0.00 H new ATOM 0 HB2 LYS C 50 10.669 11.196 0.270 1.00 0.00 H new ATOM 0 HB3 LYS C 50 11.113 12.682 1.085 1.00 0.00 H new ATOM 0 HG2 LYS C 50 11.843 9.868 1.971 1.00 0.00 H new ATOM 0 HG3 LYS C 50 12.919 11.027 1.215 1.00 0.00 H new ATOM 0 HD2 LYS C 50 12.541 12.581 3.166 1.00 0.00 H new ATOM 0 HD3 LYS C 50 11.576 11.334 3.930 1.00 0.00 H new ATOM 0 HE2 LYS C 50 14.513 11.106 3.157 1.00 0.00 H new ATOM 0 HE3 LYS C 50 13.887 11.297 4.783 1.00 0.00 H new ATOM 0 HZ1 LYS C 50 13.757 9.105 4.911 1.00 0.00 H new ATOM 0 HZ2 LYS C 50 12.582 9.096 3.685 1.00 0.00 H new ATOM 0 HZ3 LYS C 50 14.224 8.928 3.288 1.00 0.00 H new ATOM 1543 N LEU C 51 7.912 11.497 0.337 1.00 0.00 N ATOM 1544 CA LEU C 51 6.828 11.958 -0.511 1.00 0.00 C ATOM 1545 C LEU C 51 5.558 12.227 0.296 1.00 0.00 C ATOM 1546 O LEU C 51 4.988 13.314 0.222 1.00 0.00 O ATOM 1547 CB LEU C 51 6.565 10.882 -1.556 1.00 0.00 C ATOM 1548 CG LEU C 51 6.201 11.360 -2.954 1.00 0.00 C ATOM 1549 CD1 LEU C 51 6.358 10.203 -3.917 1.00 0.00 C ATOM 1550 CD2 LEU C 51 4.778 11.902 -3.007 1.00 0.00 C ATOM 0 H LEU C 51 8.242 10.560 0.104 1.00 0.00 H new ATOM 0 HA LEU C 51 7.113 12.898 -0.983 1.00 0.00 H new ATOM 0 HB2 LEU C 51 7.455 10.257 -1.631 1.00 0.00 H new ATOM 0 HB3 LEU C 51 5.758 10.246 -1.193 1.00 0.00 H new ATOM 0 HG LEU C 51 6.868 12.176 -3.233 1.00 0.00 H new ATOM 0 HD11 LEU C 51 6.100 10.530 -4.924 1.00 0.00 H new ATOM 0 HD12 LEU C 51 7.391 9.854 -3.902 1.00 0.00 H new ATOM 0 HD13 LEU C 51 5.696 9.390 -3.620 1.00 0.00 H new ATOM 0 HD21 LEU C 51 4.553 12.234 -4.020 1.00 0.00 H new ATOM 0 HD22 LEU C 51 4.079 11.117 -2.718 1.00 0.00 H new ATOM 0 HD23 LEU C 51 4.683 12.743 -2.320 1.00 0.00 H new ATOM 1562 N ASN C 52 5.113 11.230 1.062 1.00 0.00 N ATOM 1563 CA ASN C 52 3.880 11.357 1.838 1.00 0.00 C ATOM 1564 C ASN C 52 3.991 12.480 2.866 1.00 0.00 C ATOM 1565 O ASN C 52 3.006 13.144 3.164 1.00 0.00 O ATOM 1566 CB ASN C 52 3.520 10.030 2.529 1.00 0.00 C ATOM 1567 CG ASN C 52 3.676 10.070 4.046 1.00 0.00 C ATOM 1568 OD1 ASN C 52 4.748 9.793 4.578 1.00 0.00 O ATOM 1569 ND2 ASN C 52 2.605 10.414 4.748 1.00 0.00 N ATOM 0 H ASN C 52 5.585 10.331 1.161 1.00 0.00 H new ATOM 0 HA ASN C 52 3.079 11.608 1.143 1.00 0.00 H new ATOM 0 HB2 ASN C 52 2.490 9.770 2.285 1.00 0.00 H new ATOM 0 HB3 ASN C 52 4.152 9.238 2.128 1.00 0.00 H new ATOM 0 HD21 ASN C 52 2.654 10.455 5.766 1.00 0.00 H new ATOM 0 HD22 ASN C 52 1.732 10.637 4.270 1.00 0.00 H new ATOM 1576 N ASP C 53 5.192 12.695 3.392 1.00 0.00 N ATOM 1577 CA ASP C 53 5.412 13.733 4.392 1.00 0.00 C ATOM 1578 C ASP C 53 5.360 15.107 3.745 1.00 0.00 C ATOM 1579 O ASP C 53 4.888 16.078 4.339 1.00 0.00 O ATOM 1580 CB ASP C 53 6.758 13.530 5.093 1.00 0.00 C ATOM 1581 CG ASP C 53 7.045 14.597 6.129 1.00 0.00 C ATOM 1582 OD1 ASP C 53 7.901 15.472 5.871 1.00 0.00 O ATOM 1583 OD2 ASP C 53 6.422 14.566 7.210 1.00 0.00 O ATOM 0 H ASP C 53 6.027 12.165 3.143 1.00 0.00 H new ATOM 0 HA ASP C 53 4.620 13.665 5.138 1.00 0.00 H new ATOM 0 HB2 ASP C 53 6.769 12.551 5.573 1.00 0.00 H new ATOM 0 HB3 ASP C 53 7.554 13.529 4.348 1.00 0.00 H new ATOM 1588 N ALA C 54 5.837 15.168 2.519 1.00 0.00 N ATOM 1589 CA ALA C 54 5.824 16.391 1.744 1.00 0.00 C ATOM 1590 C ALA C 54 4.407 16.758 1.336 1.00 0.00 C ATOM 1591 O ALA C 54 3.988 17.909 1.458 1.00 0.00 O ATOM 1592 CB ALA C 54 6.685 16.207 0.517 1.00 0.00 C ATOM 0 H ALA C 54 6.245 14.370 2.031 1.00 0.00 H new ATOM 0 HA ALA C 54 6.220 17.202 2.355 1.00 0.00 H new ATOM 0 HB1 ALA C 54 6.680 17.124 -0.072 1.00 0.00 H new ATOM 0 HB2 ALA C 54 7.706 15.976 0.820 1.00 0.00 H new ATOM 0 HB3 ALA C 54 6.291 15.388 -0.084 1.00 0.00 H new ATOM 1598 N GLN C 55 3.669 15.765 0.862 1.00 0.00 N ATOM 1599 CA GLN C 55 2.301 15.969 0.405 1.00 0.00 C ATOM 1600 C GLN C 55 1.318 15.889 1.566 1.00 0.00 C ATOM 1601 O GLN C 55 0.102 15.931 1.369 1.00 0.00 O ATOM 1602 CB GLN C 55 1.942 14.936 -0.666 1.00 0.00 C ATOM 1603 CG GLN C 55 2.821 15.013 -1.908 1.00 0.00 C ATOM 1604 CD GLN C 55 2.623 16.293 -2.704 1.00 0.00 C ATOM 1605 OE1 GLN C 55 2.280 17.342 -2.157 1.00 0.00 O ATOM 1606 NE2 GLN C 55 2.843 16.216 -4.006 1.00 0.00 N ATOM 0 H GLN C 55 3.997 14.803 0.783 1.00 0.00 H new ATOM 0 HA GLN C 55 2.233 16.967 -0.028 1.00 0.00 H new ATOM 0 HB2 GLN C 55 2.021 13.937 -0.236 1.00 0.00 H new ATOM 0 HB3 GLN C 55 0.901 15.075 -0.959 1.00 0.00 H new ATOM 0 HG2 GLN C 55 3.867 14.936 -1.610 1.00 0.00 H new ATOM 0 HG3 GLN C 55 2.608 14.158 -2.549 1.00 0.00 H new ATOM 0 HE21 GLN C 55 3.126 15.330 -4.424 1.00 0.00 H new ATOM 0 HE22 GLN C 55 2.730 17.043 -4.592 1.00 0.00 H new ATOM 1615 N ALA C 56 1.850 15.770 2.773 1.00 0.00 N ATOM 1616 CA ALA C 56 1.033 15.700 3.973 1.00 0.00 C ATOM 1617 C ALA C 56 0.385 17.048 4.266 1.00 0.00 C ATOM 1618 O ALA C 56 1.126 18.015 4.537 1.00 0.00 O ATOM 1619 CB ALA C 56 1.880 15.244 5.147 1.00 0.00 C ATOM 0 H ALA C 56 2.854 15.720 2.947 1.00 0.00 H new ATOM 0 HA ALA C 56 0.235 14.975 3.812 1.00 0.00 H new ATOM 0 HB1 ALA C 56 1.262 15.193 6.044 1.00 0.00 H new ATOM 0 HB2 ALA C 56 2.294 14.258 4.936 1.00 0.00 H new ATOM 0 HB3 ALA C 56 2.693 15.952 5.306 1.00 0.00 H new