USER MOD reduce.3.24.130724 H: found=0, std=0, add=776, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 770 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 34 HIS : no HD1:sc= -0.0122 K(o=-1.6,f=-3.1) USER MOD Set 1.2: A 39 MET CE :methyl 166:sc= -0.567 (180deg=-0.758) USER MOD Set 1.3: B 34 HIS : no HD1:sc= -0.0361 K(o=-1.6,f=-3.9) USER MOD Set 1.4: B 39 MET CE :methyl 173:sc= -0.991 (180deg=-1.05) USER MOD Set 2.1: B 23 TYR OH : rot -75:sc= 0.28 USER MOD Set 2.2: B 27 GLN : amide:sc= 0.263 K(o=0.54,f=0) USER MOD Set 3.1: A 8 GLN : amide:sc= 0 X(o=0.067,f=0.067) USER MOD Set 3.2: A 10 SER OG : rot 180:sc= 0.0672 USER MOD Single : A 1 GLY N :NH3+ -127:sc= 1.31 (180deg=-0.219) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0.0618 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0.0118 USER MOD Single : A 19 GLN : amide:sc= -0.0492 X(o=-0.049,f=-0.049) USER MOD Single : A 21 TYR OH : rot -15:sc= 0.8 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 156:sc= 0.556 (180deg=0.269) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=-0.00082) USER MOD Single : A 36 ASN : amide:sc= -0.0912 K(o=-0.091,f=-9!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 1.05 K(o=1,f=0) USER MOD Single : A 48 SER OG : rot 118:sc= 0.129 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : B 1 GLY N :NH3+ -115:sc= 0.115 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= 0 USER MOD Single : B 3 SER OG : rot 180:sc= 0.0738 USER MOD Single : B 5 SER OG : rot 180:sc= 0 USER MOD Single : B 6 SER OG : rot 180:sc= 0 USER MOD Single : B 8 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : B 10 SER OG : rot 180:sc= 0.0706 USER MOD Single : B 11 SER OG : rot 180:sc= 0 USER MOD Single : B 17 MET CE :methyl -163:sc= 0 (180deg=-0.381) USER MOD Single : B 18 SER OG : rot 180:sc= 0.00206 USER MOD Single : B 19 GLN : amide:sc= -0.116 X(o=-0.12,f=-0.12) USER MOD Single : B 21 TYR OH : rot -16:sc= 1.31 USER MOD Single : B 22 SER OG : rot 180:sc= 0 USER MOD Single : B 24 GLN : amide:sc= -0.185 X(o=-0.19,f=0) USER MOD Single : B 28 LYS NZ :NH3+ 145:sc= 0.493 (180deg=0.083) USER MOD Single : B 35 ASN : amide:sc= 0 X(o=0,f=-0.042) USER MOD Single : B 36 ASN : amide:sc= -0.597 K(o=-0.6,f=-10!) USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 42 ASN : amide:sc= 0.359 X(o=0.36,f=0) USER MOD Single : B 48 SER OG : rot 180:sc= 0 USER MOD Single : B 51 SER OG : rot 180:sc= 0 USER MOD Single : B 52 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.483 11.092 -7.486 1.00 0.00 N ATOM 2 CA GLY A 1 -13.859 10.801 -7.043 1.00 0.00 C ATOM 3 C GLY A 1 -14.791 10.509 -8.209 1.00 0.00 C ATOM 4 O GLY A 1 -14.333 10.350 -9.340 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.817 10.474 -6.980 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.404 10.921 -8.509 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.256 12.086 -7.282 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.848 9.946 -6.367 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.243 11.650 -6.477 1.00 0.00 H new ATOM 8 N SER A 2 -16.097 10.397 -7.950 1.00 0.00 N ATOM 9 CA SER A 2 -17.120 10.120 -8.951 1.00 0.00 C ATOM 10 C SER A 2 -18.425 10.833 -8.571 1.00 0.00 C ATOM 11 O SER A 2 -18.696 11.084 -7.388 1.00 0.00 O ATOM 12 CB SER A 2 -17.284 8.598 -9.023 1.00 0.00 C ATOM 13 OG SER A 2 -18.174 8.180 -10.042 1.00 0.00 O ATOM 0 H SER A 2 -16.478 10.500 -7.010 1.00 0.00 H new ATOM 0 HA SER A 2 -16.837 10.495 -9.934 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.309 8.142 -9.192 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.645 8.232 -8.062 1.00 0.00 H new ATOM 0 HG SER A 2 -18.237 7.202 -10.041 1.00 0.00 H new ATOM 19 N SER A 3 -19.254 11.138 -9.574 1.00 0.00 N ATOM 20 CA SER A 3 -20.524 11.821 -9.387 1.00 0.00 C ATOM 21 C SER A 3 -21.522 10.934 -8.633 1.00 0.00 C ATOM 22 O SER A 3 -21.489 9.701 -8.723 1.00 0.00 O ATOM 23 CB SER A 3 -21.060 12.275 -10.751 1.00 0.00 C ATOM 24 OG SER A 3 -21.294 11.196 -11.635 1.00 0.00 O ATOM 0 H SER A 3 -19.053 10.912 -10.548 1.00 0.00 H new ATOM 0 HA SER A 3 -20.375 12.706 -8.768 1.00 0.00 H new ATOM 0 HB2 SER A 3 -21.988 12.828 -10.606 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.347 12.963 -11.206 1.00 0.00 H new ATOM 0 HG SER A 3 -21.636 11.539 -12.487 1.00 0.00 H new ATOM 30 N GLY A 4 -22.450 11.555 -7.905 1.00 0.00 N ATOM 31 CA GLY A 4 -23.466 10.855 -7.129 1.00 0.00 C ATOM 32 C GLY A 4 -22.914 10.226 -5.844 1.00 0.00 C ATOM 33 O GLY A 4 -23.671 9.611 -5.089 1.00 0.00 O ATOM 0 H GLY A 4 -22.516 12.571 -7.839 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -24.263 11.553 -6.872 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -23.912 10.075 -7.746 1.00 0.00 H new ATOM 37 N SER A 5 -21.605 10.303 -5.594 1.00 0.00 N ATOM 38 CA SER A 5 -20.976 9.746 -4.408 1.00 0.00 C ATOM 39 C SER A 5 -21.262 10.665 -3.215 1.00 0.00 C ATOM 40 O SER A 5 -21.513 11.864 -3.386 1.00 0.00 O ATOM 41 CB SER A 5 -19.485 9.604 -4.707 1.00 0.00 C ATOM 42 OG SER A 5 -18.777 8.937 -3.684 1.00 0.00 O ATOM 0 H SER A 5 -20.947 10.763 -6.224 1.00 0.00 H new ATOM 0 HA SER A 5 -21.370 8.763 -4.150 1.00 0.00 H new ATOM 0 HB2 SER A 5 -19.358 9.060 -5.643 1.00 0.00 H new ATOM 0 HB3 SER A 5 -19.054 10.594 -4.853 1.00 0.00 H new ATOM 0 HG SER A 5 -17.830 8.873 -3.929 1.00 0.00 H new ATOM 48 N SER A 6 -21.253 10.110 -2.006 1.00 0.00 N ATOM 49 CA SER A 6 -21.511 10.820 -0.758 1.00 0.00 C ATOM 50 C SER A 6 -20.311 11.675 -0.346 1.00 0.00 C ATOM 51 O SER A 6 -20.459 12.861 -0.049 1.00 0.00 O ATOM 52 CB SER A 6 -21.853 9.784 0.326 1.00 0.00 C ATOM 53 OG SER A 6 -21.028 8.626 0.237 1.00 0.00 O ATOM 0 H SER A 6 -21.059 9.119 -1.864 1.00 0.00 H new ATOM 0 HA SER A 6 -22.350 11.503 -0.893 1.00 0.00 H new ATOM 0 HB2 SER A 6 -21.736 10.237 1.310 1.00 0.00 H new ATOM 0 HB3 SER A 6 -22.899 9.492 0.231 1.00 0.00 H new ATOM 0 HG SER A 6 -21.275 7.993 0.943 1.00 0.00 H new ATOM 59 N GLY A 7 -19.122 11.078 -0.373 1.00 0.00 N ATOM 60 CA GLY A 7 -17.850 11.676 -0.007 1.00 0.00 C ATOM 61 C GLY A 7 -17.241 10.848 1.122 1.00 0.00 C ATOM 62 O GLY A 7 -16.041 10.565 1.099 1.00 0.00 O ATOM 0 H GLY A 7 -19.020 10.107 -0.669 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -17.179 11.699 -0.866 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -17.993 12.708 0.313 1.00 0.00 H new ATOM 66 N GLN A 8 -18.066 10.415 2.087 1.00 0.00 N ATOM 67 CA GLN A 8 -17.632 9.612 3.225 1.00 0.00 C ATOM 68 C GLN A 8 -17.043 8.286 2.754 1.00 0.00 C ATOM 69 O GLN A 8 -17.627 7.596 1.913 1.00 0.00 O ATOM 70 CB GLN A 8 -18.786 9.320 4.196 1.00 0.00 C ATOM 71 CG GLN A 8 -19.206 10.526 5.049 1.00 0.00 C ATOM 72 CD GLN A 8 -19.950 10.070 6.301 1.00 0.00 C ATOM 73 OE1 GLN A 8 -21.161 10.217 6.428 1.00 0.00 O ATOM 74 NE2 GLN A 8 -19.246 9.478 7.252 1.00 0.00 N ATOM 0 H GLN A 8 -19.065 10.619 2.093 1.00 0.00 H new ATOM 0 HA GLN A 8 -16.873 10.195 3.748 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -19.648 8.974 3.626 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -18.493 8.505 4.857 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -18.325 11.101 5.333 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -19.843 11.188 4.463 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -18.239 9.358 7.142 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -19.710 9.141 8.096 1.00 0.00 H new ATOM 83 N LEU A 9 -15.908 7.905 3.336 1.00 0.00 N ATOM 84 CA LEU A 9 -15.222 6.660 3.009 1.00 0.00 C ATOM 85 C LEU A 9 -15.991 5.440 3.526 1.00 0.00 C ATOM 86 O LEU A 9 -15.810 4.347 2.993 1.00 0.00 O ATOM 87 CB LEU A 9 -13.796 6.680 3.589 1.00 0.00 C ATOM 88 CG LEU A 9 -12.762 7.244 2.600 1.00 0.00 C ATOM 89 CD1 LEU A 9 -12.925 8.735 2.290 1.00 0.00 C ATOM 90 CD2 LEU A 9 -11.349 7.001 3.137 1.00 0.00 C ATOM 0 H LEU A 9 -15.436 8.456 4.053 1.00 0.00 H new ATOM 0 HA LEU A 9 -15.169 6.579 1.923 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -13.787 7.279 4.499 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -13.508 5.667 3.871 1.00 0.00 H new ATOM 0 HG LEU A 9 -12.933 6.714 1.663 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -12.154 9.046 1.585 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -13.908 8.911 1.854 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -12.829 9.311 3.211 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -10.619 7.402 2.434 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -11.236 7.498 4.101 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -11.185 5.930 3.259 1.00 0.00 H new ATOM 102 N SER A 10 -16.887 5.620 4.498 1.00 0.00 N ATOM 103 CA SER A 10 -17.689 4.570 5.108 1.00 0.00 C ATOM 104 C SER A 10 -18.424 3.720 4.073 1.00 0.00 C ATOM 105 O SER A 10 -18.365 2.492 4.130 1.00 0.00 O ATOM 106 CB SER A 10 -18.700 5.203 6.075 1.00 0.00 C ATOM 107 OG SER A 10 -18.138 6.289 6.792 1.00 0.00 O ATOM 0 H SER A 10 -17.078 6.540 4.894 1.00 0.00 H new ATOM 0 HA SER A 10 -17.012 3.906 5.645 1.00 0.00 H new ATOM 0 HB2 SER A 10 -19.570 5.548 5.516 1.00 0.00 H new ATOM 0 HB3 SER A 10 -19.052 4.448 6.778 1.00 0.00 H new ATOM 0 HG SER A 10 -18.812 6.666 7.395 1.00 0.00 H new ATOM 113 N SER A 11 -19.122 4.353 3.130 1.00 0.00 N ATOM 114 CA SER A 11 -19.873 3.651 2.099 1.00 0.00 C ATOM 115 C SER A 11 -18.960 2.971 1.068 1.00 0.00 C ATOM 116 O SER A 11 -19.395 2.059 0.366 1.00 0.00 O ATOM 117 CB SER A 11 -20.835 4.647 1.444 1.00 0.00 C ATOM 118 OG SER A 11 -21.566 5.359 2.441 1.00 0.00 O ATOM 0 H SER A 11 -19.180 5.369 3.063 1.00 0.00 H new ATOM 0 HA SER A 11 -20.440 2.841 2.558 1.00 0.00 H new ATOM 0 HB2 SER A 11 -20.277 5.348 0.823 1.00 0.00 H new ATOM 0 HB3 SER A 11 -21.525 4.118 0.786 1.00 0.00 H new ATOM 0 HG SER A 11 -22.176 5.993 2.009 1.00 0.00 H new ATOM 124 N GLU A 12 -17.688 3.367 0.977 1.00 0.00 N ATOM 125 CA GLU A 12 -16.754 2.778 0.025 1.00 0.00 C ATOM 126 C GLU A 12 -16.194 1.470 0.575 1.00 0.00 C ATOM 127 O GLU A 12 -15.889 0.575 -0.209 1.00 0.00 O ATOM 128 CB GLU A 12 -15.640 3.766 -0.336 1.00 0.00 C ATOM 129 CG GLU A 12 -16.171 5.118 -0.828 1.00 0.00 C ATOM 130 CD GLU A 12 -17.021 4.997 -2.098 1.00 0.00 C ATOM 131 OE1 GLU A 12 -18.206 4.591 -2.058 1.00 0.00 O ATOM 132 OE2 GLU A 12 -16.503 5.317 -3.189 1.00 0.00 O ATOM 0 H GLU A 12 -17.282 4.100 1.559 1.00 0.00 H new ATOM 0 HA GLU A 12 -17.291 2.551 -0.896 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -15.008 3.927 0.537 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -15.010 3.327 -1.109 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -16.767 5.577 -0.040 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -15.330 5.785 -1.021 1.00 0.00 H new ATOM 139 N ILE A 13 -16.073 1.332 1.903 1.00 0.00 N ATOM 140 CA ILE A 13 -15.585 0.098 2.530 1.00 0.00 C ATOM 141 C ILE A 13 -16.604 -0.986 2.151 1.00 0.00 C ATOM 142 O ILE A 13 -16.226 -2.101 1.791 1.00 0.00 O ATOM 143 CB ILE A 13 -15.421 0.288 4.061 1.00 0.00 C ATOM 144 CG1 ILE A 13 -14.308 1.323 4.341 1.00 0.00 C ATOM 145 CG2 ILE A 13 -15.095 -1.027 4.807 1.00 0.00 C ATOM 146 CD1 ILE A 13 -14.309 1.838 5.783 1.00 0.00 C ATOM 0 H ILE A 13 -16.309 2.068 2.568 1.00 0.00 H new ATOM 0 HA ILE A 13 -14.593 -0.189 2.182 1.00 0.00 H new ATOM 0 HB ILE A 13 -16.381 0.641 4.437 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -13.339 0.872 4.124 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -14.427 2.167 3.661 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -14.993 -0.825 5.873 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -15.900 -1.744 4.649 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -14.161 -1.440 4.425 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -13.503 2.561 5.912 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -15.264 2.317 5.998 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -14.160 1.003 6.468 1.00 0.00 H new ATOM 158 N GLU A 14 -17.897 -0.637 2.166 1.00 0.00 N ATOM 159 CA GLU A 14 -18.984 -1.538 1.804 1.00 0.00 C ATOM 160 C GLU A 14 -18.779 -2.000 0.357 1.00 0.00 C ATOM 161 O GLU A 14 -18.843 -3.195 0.064 1.00 0.00 O ATOM 162 CB GLU A 14 -20.334 -0.814 1.906 1.00 0.00 C ATOM 163 CG GLU A 14 -20.641 -0.179 3.264 1.00 0.00 C ATOM 164 CD GLU A 14 -20.573 -1.164 4.431 1.00 0.00 C ATOM 165 OE1 GLU A 14 -21.060 -2.305 4.276 1.00 0.00 O ATOM 166 OE2 GLU A 14 -20.049 -0.763 5.499 1.00 0.00 O ATOM 0 H GLU A 14 -18.215 0.294 2.435 1.00 0.00 H new ATOM 0 HA GLU A 14 -18.984 -2.390 2.484 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -20.367 -0.035 1.145 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -21.126 -1.524 1.669 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -19.936 0.633 3.443 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -21.636 0.264 3.231 1.00 0.00 H new ATOM 173 N ARG A 15 -18.516 -1.059 -0.563 1.00 0.00 N ATOM 174 CA ARG A 15 -18.289 -1.378 -1.973 1.00 0.00 C ATOM 175 C ARG A 15 -17.017 -2.201 -2.164 1.00 0.00 C ATOM 176 O ARG A 15 -16.880 -2.868 -3.190 1.00 0.00 O ATOM 177 CB ARG A 15 -18.289 -0.116 -2.856 1.00 0.00 C ATOM 178 CG ARG A 15 -19.675 0.549 -2.886 1.00 0.00 C ATOM 179 CD ARG A 15 -19.904 1.451 -4.099 1.00 0.00 C ATOM 180 NE ARG A 15 -19.139 2.710 -4.075 1.00 0.00 N ATOM 181 CZ ARG A 15 -19.189 3.616 -5.058 1.00 0.00 C ATOM 182 NH1 ARG A 15 -19.868 3.387 -6.178 1.00 0.00 N ATOM 183 NH2 ARG A 15 -18.548 4.763 -4.945 1.00 0.00 N ATOM 0 H ARG A 15 -18.456 -0.064 -0.348 1.00 0.00 H new ATOM 0 HA ARG A 15 -19.127 -1.994 -2.301 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -17.552 0.593 -2.479 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -17.989 -0.380 -3.870 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -20.440 -0.227 -2.874 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -19.804 1.138 -1.978 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -19.643 0.899 -5.002 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -20.966 1.687 -4.166 1.00 0.00 H new ATOM 0 HE ARG A 15 -18.542 2.900 -3.270 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -20.365 2.505 -6.302 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -19.892 4.093 -6.914 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -18.009 4.965 -4.103 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -18.592 5.448 -5.699 1.00 0.00 H new ATOM 197 N LEU A 16 -16.052 -2.155 -1.244 1.00 0.00 N ATOM 198 CA LEU A 16 -14.839 -2.954 -1.374 1.00 0.00 C ATOM 199 C LEU A 16 -15.171 -4.391 -1.000 1.00 0.00 C ATOM 200 O LEU A 16 -14.617 -5.307 -1.609 1.00 0.00 O ATOM 201 CB LEU A 16 -13.687 -2.394 -0.541 1.00 0.00 C ATOM 202 CG LEU A 16 -12.990 -1.229 -1.260 1.00 0.00 C ATOM 203 CD1 LEU A 16 -12.085 -0.507 -0.269 1.00 0.00 C ATOM 204 CD2 LEU A 16 -12.123 -1.711 -2.432 1.00 0.00 C ATOM 0 H LEU A 16 -16.089 -1.575 -0.406 1.00 0.00 H new ATOM 0 HA LEU A 16 -14.492 -2.919 -2.407 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -14.065 -2.055 0.423 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -12.964 -3.184 -0.340 1.00 0.00 H new ATOM 0 HG LEU A 16 -13.766 -0.570 -1.651 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -11.585 0.322 -0.770 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -12.683 -0.124 0.558 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -11.338 -1.202 0.115 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -11.650 -0.854 -2.911 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -11.355 -2.390 -2.061 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -12.748 -2.232 -3.157 1.00 0.00 H new ATOM 216 N MET A 17 -16.083 -4.616 -0.046 1.00 0.00 N ATOM 217 CA MET A 17 -16.465 -5.978 0.316 1.00 0.00 C ATOM 218 C MET A 17 -17.086 -6.643 -0.914 1.00 0.00 C ATOM 219 O MET A 17 -16.863 -7.832 -1.138 1.00 0.00 O ATOM 220 CB MET A 17 -17.431 -6.018 1.506 1.00 0.00 C ATOM 221 CG MET A 17 -16.803 -5.429 2.769 1.00 0.00 C ATOM 222 SD MET A 17 -17.559 -6.026 4.301 1.00 0.00 S ATOM 223 CE MET A 17 -16.689 -4.957 5.474 1.00 0.00 C ATOM 0 H MET A 17 -16.561 -3.883 0.479 1.00 0.00 H new ATOM 0 HA MET A 17 -15.575 -6.521 0.633 1.00 0.00 H new ATOM 0 HB2 MET A 17 -18.336 -5.464 1.258 1.00 0.00 H new ATOM 0 HB3 MET A 17 -17.731 -7.049 1.696 1.00 0.00 H new ATOM 0 HG2 MET A 17 -15.740 -5.668 2.781 1.00 0.00 H new ATOM 0 HG3 MET A 17 -16.885 -4.343 2.733 1.00 0.00 H new ATOM 0 HE1 MET A 17 -17.025 -5.179 6.487 1.00 0.00 H new ATOM 0 HE2 MET A 17 -15.616 -5.134 5.401 1.00 0.00 H new ATOM 0 HE3 MET A 17 -16.901 -3.913 5.242 1.00 0.00 H new ATOM 233 N SER A 18 -17.797 -5.874 -1.747 1.00 0.00 N ATOM 234 CA SER A 18 -18.435 -6.333 -2.974 1.00 0.00 C ATOM 235 C SER A 18 -17.371 -6.895 -3.934 1.00 0.00 C ATOM 236 O SER A 18 -17.589 -7.925 -4.576 1.00 0.00 O ATOM 237 CB SER A 18 -19.226 -5.168 -3.587 1.00 0.00 C ATOM 238 OG SER A 18 -19.973 -4.515 -2.570 1.00 0.00 O ATOM 0 H SER A 18 -17.946 -4.880 -1.574 1.00 0.00 H new ATOM 0 HA SER A 18 -19.136 -7.142 -2.768 1.00 0.00 H new ATOM 0 HB2 SER A 18 -18.545 -4.462 -4.062 1.00 0.00 H new ATOM 0 HB3 SER A 18 -19.895 -5.538 -4.364 1.00 0.00 H new ATOM 0 HG SER A 18 -20.476 -3.771 -2.961 1.00 0.00 H new ATOM 244 N GLN A 19 -16.196 -6.254 -4.025 1.00 0.00 N ATOM 245 CA GLN A 19 -15.080 -6.692 -4.873 1.00 0.00 C ATOM 246 C GLN A 19 -14.433 -7.988 -4.346 1.00 0.00 C ATOM 247 O GLN A 19 -13.593 -8.567 -5.039 1.00 0.00 O ATOM 248 CB GLN A 19 -14.033 -5.569 -5.014 1.00 0.00 C ATOM 249 CG GLN A 19 -14.374 -4.568 -6.127 1.00 0.00 C ATOM 250 CD GLN A 19 -14.153 -5.149 -7.526 1.00 0.00 C ATOM 251 OE1 GLN A 19 -13.030 -5.432 -7.931 1.00 0.00 O ATOM 252 NE2 GLN A 19 -15.191 -5.349 -8.318 1.00 0.00 N ATOM 0 H GLN A 19 -15.992 -5.402 -3.502 1.00 0.00 H new ATOM 0 HA GLN A 19 -15.484 -6.914 -5.861 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -13.950 -5.036 -4.067 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -13.058 -6.012 -5.217 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -15.414 -4.258 -6.026 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -13.762 -3.674 -6.007 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -16.131 -5.119 -7.995 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -15.053 -5.734 -9.252 1.00 0.00 H new ATOM 261 N GLY A 20 -14.811 -8.441 -3.146 1.00 0.00 N ATOM 262 CA GLY A 20 -14.325 -9.654 -2.508 1.00 0.00 C ATOM 263 C GLY A 20 -13.328 -9.417 -1.380 1.00 0.00 C ATOM 264 O GLY A 20 -12.979 -10.372 -0.677 1.00 0.00 O ATOM 0 H GLY A 20 -15.494 -7.945 -2.573 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -15.176 -10.208 -2.113 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -13.857 -10.285 -3.264 1.00 0.00 H new ATOM 268 N TYR A 21 -12.893 -8.173 -1.180 1.00 0.00 N ATOM 269 CA TYR A 21 -11.919 -7.825 -0.164 1.00 0.00 C ATOM 270 C TYR A 21 -12.383 -8.102 1.263 1.00 0.00 C ATOM 271 O TYR A 21 -13.559 -7.937 1.614 1.00 0.00 O ATOM 272 CB TYR A 21 -11.508 -6.358 -0.319 1.00 0.00 C ATOM 273 CG TYR A 21 -10.803 -6.067 -1.624 1.00 0.00 C ATOM 274 CD1 TYR A 21 -9.554 -6.660 -1.859 1.00 0.00 C ATOM 275 CD2 TYR A 21 -11.371 -5.221 -2.594 1.00 0.00 C ATOM 276 CE1 TYR A 21 -8.876 -6.410 -3.054 1.00 0.00 C ATOM 277 CE2 TYR A 21 -10.689 -4.955 -3.796 1.00 0.00 C ATOM 278 CZ TYR A 21 -9.431 -5.552 -4.025 1.00 0.00 C ATOM 279 OH TYR A 21 -8.701 -5.240 -5.129 1.00 0.00 O ATOM 0 H TYR A 21 -13.215 -7.375 -1.728 1.00 0.00 H new ATOM 0 HA TYR A 21 -11.060 -8.476 -0.326 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -12.396 -5.730 -0.246 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -10.854 -6.082 0.508 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -9.116 -7.310 -1.116 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -12.337 -4.773 -2.415 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -7.919 -6.877 -3.236 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -11.124 -4.300 -4.536 1.00 0.00 H new ATOM 0 HH TYR A 21 -7.763 -5.483 -4.981 1.00 0.00 H new ATOM 289 N SER A 22 -11.431 -8.539 2.081 1.00 0.00 N ATOM 290 CA SER A 22 -11.611 -8.846 3.487 1.00 0.00 C ATOM 291 C SER A 22 -11.540 -7.529 4.261 1.00 0.00 C ATOM 292 O SER A 22 -10.761 -6.642 3.907 1.00 0.00 O ATOM 293 CB SER A 22 -10.494 -9.785 3.944 1.00 0.00 C ATOM 294 OG SER A 22 -10.456 -10.953 3.145 1.00 0.00 O ATOM 0 H SER A 22 -10.474 -8.694 1.764 1.00 0.00 H new ATOM 0 HA SER A 22 -12.570 -9.334 3.662 1.00 0.00 H new ATOM 0 HB2 SER A 22 -9.535 -9.270 3.888 1.00 0.00 H new ATOM 0 HB3 SER A 22 -10.648 -10.059 4.988 1.00 0.00 H new ATOM 0 HG SER A 22 -9.733 -11.538 3.455 1.00 0.00 H new ATOM 300 N TYR A 23 -12.304 -7.414 5.346 1.00 0.00 N ATOM 301 CA TYR A 23 -12.363 -6.230 6.189 1.00 0.00 C ATOM 302 C TYR A 23 -10.971 -5.822 6.660 1.00 0.00 C ATOM 303 O TYR A 23 -10.633 -4.641 6.585 1.00 0.00 O ATOM 304 CB TYR A 23 -13.306 -6.493 7.365 1.00 0.00 C ATOM 305 CG TYR A 23 -13.403 -5.335 8.338 1.00 0.00 C ATOM 306 CD1 TYR A 23 -14.012 -4.129 7.937 1.00 0.00 C ATOM 307 CD2 TYR A 23 -12.869 -5.460 9.635 1.00 0.00 C ATOM 308 CE1 TYR A 23 -14.117 -3.056 8.836 1.00 0.00 C ATOM 309 CE2 TYR A 23 -12.973 -4.395 10.544 1.00 0.00 C ATOM 310 CZ TYR A 23 -13.606 -3.197 10.146 1.00 0.00 C ATOM 311 OH TYR A 23 -13.728 -2.186 11.045 1.00 0.00 O ATOM 0 H TYR A 23 -12.914 -8.165 5.668 1.00 0.00 H new ATOM 0 HA TYR A 23 -12.755 -5.394 5.610 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -14.301 -6.716 6.979 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -12.966 -7.379 7.901 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -14.400 -4.030 6.934 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -12.379 -6.376 9.931 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -14.584 -2.132 8.529 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -12.571 -4.491 11.542 1.00 0.00 H new ATOM 0 HH TYR A 23 -13.322 -2.454 11.896 1.00 0.00 H new ATOM 321 N GLN A 24 -10.163 -6.789 7.110 1.00 0.00 N ATOM 322 CA GLN A 24 -8.805 -6.543 7.576 1.00 0.00 C ATOM 323 C GLN A 24 -7.992 -5.888 6.462 1.00 0.00 C ATOM 324 O GLN A 24 -7.443 -4.814 6.671 1.00 0.00 O ATOM 325 CB GLN A 24 -8.151 -7.856 8.032 1.00 0.00 C ATOM 326 CG GLN A 24 -8.747 -8.392 9.344 1.00 0.00 C ATOM 327 CD GLN A 24 -7.758 -8.313 10.505 1.00 0.00 C ATOM 328 OE1 GLN A 24 -7.230 -9.335 10.937 1.00 0.00 O ATOM 329 NE2 GLN A 24 -7.492 -7.134 11.046 1.00 0.00 N ATOM 0 H GLN A 24 -10.441 -7.769 7.159 1.00 0.00 H new ATOM 0 HA GLN A 24 -8.835 -5.868 8.431 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -8.270 -8.607 7.251 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.080 -7.698 8.162 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -9.642 -7.822 9.593 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -9.057 -9.428 9.203 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -7.936 -6.292 10.679 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -6.843 -7.067 11.830 1.00 0.00 H new ATOM 338 N ASP A 25 -7.944 -6.503 5.277 1.00 0.00 N ATOM 339 CA ASP A 25 -7.195 -5.979 4.136 1.00 0.00 C ATOM 340 C ASP A 25 -7.655 -4.552 3.811 1.00 0.00 C ATOM 341 O ASP A 25 -6.821 -3.669 3.619 1.00 0.00 O ATOM 342 CB ASP A 25 -7.303 -6.904 2.905 1.00 0.00 C ATOM 343 CG ASP A 25 -6.475 -8.196 3.008 1.00 0.00 C ATOM 344 OD1 ASP A 25 -5.280 -8.121 3.375 1.00 0.00 O ATOM 345 OD2 ASP A 25 -7.033 -9.281 2.707 1.00 0.00 O ATOM 0 H ASP A 25 -8.426 -7.381 5.083 1.00 0.00 H new ATOM 0 HA ASP A 25 -6.140 -5.946 4.410 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -8.350 -7.168 2.755 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -6.984 -6.352 2.021 1.00 0.00 H new ATOM 350 N ILE A 26 -8.968 -4.284 3.783 1.00 0.00 N ATOM 351 CA ILE A 26 -9.493 -2.948 3.487 1.00 0.00 C ATOM 352 C ILE A 26 -8.949 -1.940 4.506 1.00 0.00 C ATOM 353 O ILE A 26 -8.346 -0.933 4.128 1.00 0.00 O ATOM 354 CB ILE A 26 -11.041 -2.938 3.429 1.00 0.00 C ATOM 355 CG1 ILE A 26 -11.588 -3.853 2.312 1.00 0.00 C ATOM 356 CG2 ILE A 26 -11.545 -1.498 3.202 1.00 0.00 C ATOM 357 CD1 ILE A 26 -13.061 -4.242 2.523 1.00 0.00 C ATOM 0 H ILE A 26 -9.689 -4.982 3.964 1.00 0.00 H new ATOM 0 HA ILE A 26 -9.151 -2.652 2.495 1.00 0.00 H new ATOM 0 HB ILE A 26 -11.405 -3.321 4.382 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -11.485 -3.347 1.352 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -10.982 -4.758 2.262 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -12.634 -1.496 3.162 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -11.211 -0.862 4.022 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -11.147 -1.117 2.262 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -13.388 -4.885 1.706 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -13.165 -4.775 3.468 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -13.676 -3.342 2.545 1.00 0.00 H new ATOM 369 N GLN A 27 -9.177 -2.194 5.796 1.00 0.00 N ATOM 370 CA GLN A 27 -8.722 -1.327 6.875 1.00 0.00 C ATOM 371 C GLN A 27 -7.202 -1.108 6.831 1.00 0.00 C ATOM 372 O GLN A 27 -6.765 0.042 6.939 1.00 0.00 O ATOM 373 CB GLN A 27 -9.158 -1.920 8.224 1.00 0.00 C ATOM 374 CG GLN A 27 -10.676 -1.902 8.460 1.00 0.00 C ATOM 375 CD GLN A 27 -11.212 -0.509 8.778 1.00 0.00 C ATOM 376 OE1 GLN A 27 -11.252 -0.090 9.933 1.00 0.00 O ATOM 377 NE2 GLN A 27 -11.690 0.235 7.792 1.00 0.00 N ATOM 0 H GLN A 27 -9.688 -3.016 6.120 1.00 0.00 H new ATOM 0 HA GLN A 27 -9.182 -0.347 6.748 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -8.804 -2.949 8.287 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -8.671 -1.366 9.026 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -11.181 -2.286 7.574 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -10.919 -2.575 9.282 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -11.659 -0.109 6.832 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -12.089 1.152 7.992 1.00 0.00 H new ATOM 386 N LYS A 28 -6.403 -2.164 6.642 1.00 0.00 N ATOM 387 CA LYS A 28 -4.941 -2.086 6.574 1.00 0.00 C ATOM 388 C LYS A 28 -4.529 -1.195 5.402 1.00 0.00 C ATOM 389 O LYS A 28 -3.622 -0.374 5.543 1.00 0.00 O ATOM 390 CB LYS A 28 -4.339 -3.502 6.447 1.00 0.00 C ATOM 391 CG LYS A 28 -4.513 -4.338 7.732 1.00 0.00 C ATOM 392 CD LYS A 28 -4.389 -5.854 7.502 1.00 0.00 C ATOM 393 CE LYS A 28 -2.928 -6.295 7.397 1.00 0.00 C ATOM 394 NZ LYS A 28 -2.775 -7.617 6.761 1.00 0.00 N ATOM 0 H LYS A 28 -6.761 -3.113 6.530 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.554 -1.643 7.492 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.813 -4.021 5.614 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.278 -3.422 6.211 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.765 -4.027 8.462 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.490 -4.123 8.166 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.871 -6.387 8.322 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -4.918 -6.128 6.589 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.370 -5.554 6.824 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.489 -6.324 8.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.823 -7.696 6.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.907 -8.363 7.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.487 -7.726 6.010 1.00 0.00 H new ATOM 408 N ALA A 29 -5.173 -1.321 4.238 1.00 0.00 N ATOM 409 CA ALA A 29 -4.824 -0.485 3.097 1.00 0.00 C ATOM 410 C ALA A 29 -5.142 0.981 3.389 1.00 0.00 C ATOM 411 O ALA A 29 -4.305 1.842 3.129 1.00 0.00 O ATOM 412 CB ALA A 29 -5.526 -0.951 1.822 1.00 0.00 C ATOM 0 H ALA A 29 -5.928 -1.985 4.067 1.00 0.00 H new ATOM 0 HA ALA A 29 -3.751 -0.580 2.931 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -5.241 -0.304 0.993 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -5.232 -1.977 1.599 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -6.606 -0.905 1.964 1.00 0.00 H new ATOM 418 N LEU A 30 -6.323 1.266 3.945 1.00 0.00 N ATOM 419 CA LEU A 30 -6.772 2.620 4.256 1.00 0.00 C ATOM 420 C LEU A 30 -5.898 3.359 5.256 1.00 0.00 C ATOM 421 O LEU A 30 -5.590 4.530 5.021 1.00 0.00 O ATOM 422 CB LEU A 30 -8.210 2.593 4.792 1.00 0.00 C ATOM 423 CG LEU A 30 -9.258 2.391 3.691 1.00 0.00 C ATOM 424 CD1 LEU A 30 -10.632 2.090 4.295 1.00 0.00 C ATOM 425 CD2 LEU A 30 -9.352 3.657 2.827 1.00 0.00 C ATOM 0 H LEU A 30 -7.003 0.548 4.195 1.00 0.00 H new ATOM 0 HA LEU A 30 -6.708 3.164 3.314 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -8.303 1.792 5.525 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.415 3.528 5.313 1.00 0.00 H new ATOM 0 HG LEU A 30 -8.951 1.544 3.078 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -11.359 1.951 3.495 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -10.575 1.182 4.895 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -10.942 2.923 4.926 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -10.098 3.510 2.046 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -9.642 4.502 3.451 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -8.383 3.859 2.370 1.00 0.00 H new ATOM 437 N VAL A 31 -5.534 2.717 6.368 1.00 0.00 N ATOM 438 CA VAL A 31 -4.714 3.364 7.385 1.00 0.00 C ATOM 439 C VAL A 31 -3.353 3.748 6.793 1.00 0.00 C ATOM 440 O VAL A 31 -2.917 4.891 6.940 1.00 0.00 O ATOM 441 CB VAL A 31 -4.701 2.507 8.670 1.00 0.00 C ATOM 442 CG1 VAL A 31 -3.950 1.179 8.552 1.00 0.00 C ATOM 443 CG2 VAL A 31 -4.160 3.291 9.865 1.00 0.00 C ATOM 0 H VAL A 31 -5.794 1.755 6.583 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.138 4.316 7.705 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.750 2.256 8.829 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.996 0.649 9.503 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.409 0.569 7.774 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.909 1.372 8.294 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.166 2.655 10.750 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.140 3.613 9.657 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.788 4.165 10.041 1.00 0.00 H new ATOM 453 N ILE A 32 -2.713 2.837 6.055 1.00 0.00 N ATOM 454 CA ILE A 32 -1.418 3.096 5.433 1.00 0.00 C ATOM 455 C ILE A 32 -1.561 4.152 4.335 1.00 0.00 C ATOM 456 O ILE A 32 -0.687 5.000 4.180 1.00 0.00 O ATOM 457 CB ILE A 32 -0.825 1.794 4.877 1.00 0.00 C ATOM 458 CG1 ILE A 32 -0.606 0.759 6.001 1.00 0.00 C ATOM 459 CG2 ILE A 32 0.494 2.119 4.142 1.00 0.00 C ATOM 460 CD1 ILE A 32 -0.278 -0.645 5.478 1.00 0.00 C ATOM 0 H ILE A 32 -3.079 1.902 5.874 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.733 3.483 6.187 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.525 1.348 4.171 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.206 1.098 6.644 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.503 0.709 6.619 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.924 1.200 3.743 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.294 2.811 3.324 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.196 2.575 4.840 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.136 -1.323 6.320 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.100 -1.003 4.858 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.635 -0.608 4.884 1.00 0.00 H new ATOM 472 N ALA A 33 -2.657 4.128 3.573 1.00 0.00 N ATOM 473 CA ALA A 33 -2.900 5.096 2.517 1.00 0.00 C ATOM 474 C ALA A 33 -3.238 6.485 3.082 1.00 0.00 C ATOM 475 O ALA A 33 -3.507 7.392 2.294 1.00 0.00 O ATOM 476 CB ALA A 33 -4.017 4.594 1.603 1.00 0.00 C ATOM 0 H ALA A 33 -3.397 3.434 3.676 1.00 0.00 H new ATOM 0 HA ALA A 33 -1.984 5.203 1.937 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -4.196 5.323 0.813 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.724 3.642 1.159 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -4.929 4.458 2.184 1.00 0.00 H new ATOM 482 N HIS A 34 -3.216 6.666 4.408 1.00 0.00 N ATOM 483 CA HIS A 34 -3.531 7.893 5.117 1.00 0.00 C ATOM 484 C HIS A 34 -4.965 8.314 4.760 1.00 0.00 C ATOM 485 O HIS A 34 -5.206 9.407 4.248 1.00 0.00 O ATOM 486 CB HIS A 34 -2.478 9.000 4.898 1.00 0.00 C ATOM 487 CG HIS A 34 -1.059 8.753 5.372 1.00 0.00 C ATOM 488 ND1 HIS A 34 -0.052 9.696 5.328 1.00 0.00 N ATOM 489 CD2 HIS A 34 -0.523 7.605 5.899 1.00 0.00 C ATOM 490 CE1 HIS A 34 1.067 9.126 5.799 1.00 0.00 C ATOM 491 NE2 HIS A 34 0.831 7.854 6.167 1.00 0.00 N ATOM 0 H HIS A 34 -2.962 5.910 5.044 1.00 0.00 H new ATOM 0 HA HIS A 34 -3.489 7.711 6.191 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -2.438 9.213 3.830 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -2.839 9.903 5.390 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -1.048 6.678 6.075 1.00 0.00 H new ATOM 0 HE1 HIS A 34 2.025 9.620 5.873 1.00 0.00 H new ATOM 0 HE2 HIS A 34 1.505 7.199 6.563 1.00 0.00 H new ATOM 499 N ASN A 35 -5.927 7.431 5.063 1.00 0.00 N ATOM 500 CA ASN A 35 -7.364 7.605 4.845 1.00 0.00 C ATOM 501 C ASN A 35 -7.696 8.000 3.408 1.00 0.00 C ATOM 502 O ASN A 35 -8.562 8.842 3.165 1.00 0.00 O ATOM 503 CB ASN A 35 -7.958 8.580 5.878 1.00 0.00 C ATOM 504 CG ASN A 35 -7.671 8.147 7.305 1.00 0.00 C ATOM 505 OD1 ASN A 35 -7.963 7.017 7.688 1.00 0.00 O ATOM 506 ND2 ASN A 35 -7.057 8.999 8.107 1.00 0.00 N ATOM 0 H ASN A 35 -5.709 6.530 5.489 1.00 0.00 H new ATOM 0 HA ASN A 35 -7.839 6.636 4.997 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -7.548 9.576 5.713 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.036 8.651 5.731 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -6.819 8.722 9.059 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -6.821 9.934 7.774 1.00 0.00 H new ATOM 513 N ASN A 36 -7.010 7.389 2.442 1.00 0.00 N ATOM 514 CA ASN A 36 -7.214 7.651 1.028 1.00 0.00 C ATOM 515 C ASN A 36 -7.730 6.375 0.378 1.00 0.00 C ATOM 516 O ASN A 36 -6.951 5.460 0.124 1.00 0.00 O ATOM 517 CB ASN A 36 -5.937 8.201 0.387 1.00 0.00 C ATOM 518 CG ASN A 36 -6.180 8.673 -1.039 1.00 0.00 C ATOM 519 OD1 ASN A 36 -7.012 8.125 -1.752 1.00 0.00 O ATOM 520 ND2 ASN A 36 -5.479 9.688 -1.497 1.00 0.00 N ATOM 0 H ASN A 36 -6.290 6.691 2.628 1.00 0.00 H new ATOM 0 HA ASN A 36 -7.963 8.428 0.877 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -5.558 9.030 0.985 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -5.168 7.429 0.388 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -5.627 10.022 -2.449 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -4.787 10.141 -0.900 1.00 0.00 H new ATOM 527 N ILE A 37 -9.045 6.282 0.167 1.00 0.00 N ATOM 528 CA ILE A 37 -9.708 5.126 -0.434 1.00 0.00 C ATOM 529 C ILE A 37 -9.207 4.860 -1.852 1.00 0.00 C ATOM 530 O ILE A 37 -9.091 3.706 -2.249 1.00 0.00 O ATOM 531 CB ILE A 37 -11.245 5.309 -0.356 1.00 0.00 C ATOM 532 CG1 ILE A 37 -12.068 4.139 -0.933 1.00 0.00 C ATOM 533 CG2 ILE A 37 -11.757 6.615 -0.990 1.00 0.00 C ATOM 534 CD1 ILE A 37 -12.217 2.986 0.058 1.00 0.00 C ATOM 0 H ILE A 37 -9.693 7.029 0.416 1.00 0.00 H new ATOM 0 HA ILE A 37 -9.452 4.232 0.134 1.00 0.00 H new ATOM 0 HB ILE A 37 -11.407 5.345 0.721 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -13.056 4.500 -1.218 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -11.588 3.774 -1.841 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -12.842 6.666 -0.893 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -11.307 7.467 -0.481 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -11.485 6.638 -2.045 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -12.804 2.189 -0.397 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -11.231 2.604 0.323 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -12.722 3.341 0.956 1.00 0.00 H new ATOM 546 N GLU A 38 -8.909 5.903 -2.621 1.00 0.00 N ATOM 547 CA GLU A 38 -8.435 5.789 -3.998 1.00 0.00 C ATOM 548 C GLU A 38 -7.038 5.163 -3.999 1.00 0.00 C ATOM 549 O GLU A 38 -6.775 4.189 -4.703 1.00 0.00 O ATOM 550 CB GLU A 38 -8.466 7.171 -4.681 1.00 0.00 C ATOM 551 CG GLU A 38 -9.883 7.772 -4.573 1.00 0.00 C ATOM 552 CD GLU A 38 -10.092 9.082 -5.332 1.00 0.00 C ATOM 553 OE1 GLU A 38 -9.483 10.105 -4.948 1.00 0.00 O ATOM 554 OE2 GLU A 38 -10.954 9.095 -6.246 1.00 0.00 O ATOM 0 H GLU A 38 -8.991 6.868 -2.300 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.091 5.136 -4.574 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.742 7.836 -4.211 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.179 7.076 -5.728 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -10.601 7.039 -4.941 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -10.110 7.940 -3.520 1.00 0.00 H new ATOM 561 N MET A 39 -6.133 5.712 -3.192 1.00 0.00 N ATOM 562 CA MET A 39 -4.764 5.240 -3.038 1.00 0.00 C ATOM 563 C MET A 39 -4.826 3.802 -2.513 1.00 0.00 C ATOM 564 O MET A 39 -4.197 2.906 -3.068 1.00 0.00 O ATOM 565 CB MET A 39 -4.054 6.199 -2.076 1.00 0.00 C ATOM 566 CG MET A 39 -2.533 6.108 -2.027 1.00 0.00 C ATOM 567 SD MET A 39 -1.825 7.527 -1.120 1.00 0.00 S ATOM 568 CE MET A 39 -0.039 7.438 -1.468 1.00 0.00 C ATOM 0 H MET A 39 -6.342 6.523 -2.610 1.00 0.00 H new ATOM 0 HA MET A 39 -4.204 5.228 -3.973 1.00 0.00 H new ATOM 0 HB2 MET A 39 -4.327 7.219 -2.347 1.00 0.00 H new ATOM 0 HB3 MET A 39 -4.439 6.023 -1.072 1.00 0.00 H new ATOM 0 HG2 MET A 39 -2.236 5.177 -1.544 1.00 0.00 H new ATOM 0 HG3 MET A 39 -2.133 6.083 -3.041 1.00 0.00 H new ATOM 0 HE1 MET A 39 0.435 8.376 -1.178 1.00 0.00 H new ATOM 0 HE2 MET A 39 0.402 6.618 -0.901 1.00 0.00 H new ATOM 0 HE3 MET A 39 0.116 7.267 -2.533 1.00 0.00 H new ATOM 578 N ALA A 40 -5.654 3.543 -1.499 1.00 0.00 N ATOM 579 CA ALA A 40 -5.814 2.221 -0.922 1.00 0.00 C ATOM 580 C ALA A 40 -6.365 1.228 -1.956 1.00 0.00 C ATOM 581 O ALA A 40 -5.953 0.070 -1.962 1.00 0.00 O ATOM 582 CB ALA A 40 -6.713 2.313 0.308 1.00 0.00 C ATOM 0 H ALA A 40 -6.234 4.256 -1.057 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.839 1.843 -0.614 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.835 1.322 0.744 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.259 2.979 1.042 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.688 2.705 0.018 1.00 0.00 H new ATOM 588 N LYS A 41 -7.273 1.645 -2.852 1.00 0.00 N ATOM 589 CA LYS A 41 -7.830 0.779 -3.901 1.00 0.00 C ATOM 590 C LYS A 41 -6.705 0.306 -4.816 1.00 0.00 C ATOM 591 O LYS A 41 -6.774 -0.813 -5.335 1.00 0.00 O ATOM 592 CB LYS A 41 -8.901 1.521 -4.725 1.00 0.00 C ATOM 593 CG LYS A 41 -10.301 1.343 -4.133 1.00 0.00 C ATOM 594 CD LYS A 41 -11.261 2.430 -4.631 1.00 0.00 C ATOM 595 CE LYS A 41 -12.678 2.160 -4.116 1.00 0.00 C ATOM 596 NZ LYS A 41 -13.392 1.172 -4.956 1.00 0.00 N ATOM 0 H LYS A 41 -7.642 2.596 -2.869 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.306 -0.079 -3.426 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.657 2.582 -4.766 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -8.891 1.151 -5.750 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -10.690 0.361 -4.403 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -10.245 1.376 -3.045 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -10.923 3.408 -4.290 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -11.261 2.454 -5.721 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -12.628 1.795 -3.090 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -13.241 3.093 -4.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -14.347 1.017 -4.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -13.463 1.531 -5.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -12.869 0.273 -4.955 1.00 0.00 H new ATOM 610 N ASN A 42 -5.694 1.150 -5.040 1.00 0.00 N ATOM 611 CA ASN A 42 -4.548 0.801 -5.867 1.00 0.00 C ATOM 612 C ASN A 42 -3.816 -0.332 -5.148 1.00 0.00 C ATOM 613 O ASN A 42 -3.594 -1.374 -5.757 1.00 0.00 O ATOM 614 CB ASN A 42 -3.636 2.003 -6.156 1.00 0.00 C ATOM 615 CG ASN A 42 -4.168 2.930 -7.234 1.00 0.00 C ATOM 616 OD1 ASN A 42 -3.679 2.944 -8.361 1.00 0.00 O ATOM 617 ND2 ASN A 42 -5.168 3.742 -6.943 1.00 0.00 N ATOM 0 H ASN A 42 -5.652 2.092 -4.651 1.00 0.00 H new ATOM 0 HA ASN A 42 -4.879 0.475 -6.853 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -3.498 2.572 -5.236 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -2.654 1.638 -6.456 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -5.532 4.378 -7.653 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -5.577 3.733 -6.008 1.00 0.00 H new ATOM 624 N ILE A 43 -3.508 -0.168 -3.854 1.00 0.00 N ATOM 625 CA ILE A 43 -2.819 -1.177 -3.040 1.00 0.00 C ATOM 626 C ILE A 43 -3.583 -2.495 -3.123 1.00 0.00 C ATOM 627 O ILE A 43 -3.029 -3.511 -3.536 1.00 0.00 O ATOM 628 CB ILE A 43 -2.663 -0.744 -1.559 1.00 0.00 C ATOM 629 CG1 ILE A 43 -2.009 0.646 -1.439 1.00 0.00 C ATOM 630 CG2 ILE A 43 -1.842 -1.806 -0.811 1.00 0.00 C ATOM 631 CD1 ILE A 43 -1.899 1.198 -0.020 1.00 0.00 C ATOM 0 H ILE A 43 -3.734 0.682 -3.337 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.812 -1.296 -3.441 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.653 -0.665 -1.109 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -1.009 0.597 -1.870 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -2.581 1.351 -2.042 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.727 -1.509 0.232 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.357 -2.766 -0.861 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.859 -1.897 -1.272 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.425 2.179 -0.047 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -2.895 1.288 0.414 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.298 0.522 0.588 1.00 0.00 H new ATOM 643 N LEU A 44 -4.867 -2.456 -2.770 1.00 0.00 N ATOM 644 CA LEU A 44 -5.743 -3.611 -2.770 1.00 0.00 C ATOM 645 C LEU A 44 -5.787 -4.322 -4.115 1.00 0.00 C ATOM 646 O LEU A 44 -6.112 -5.504 -4.144 1.00 0.00 O ATOM 647 CB LEU A 44 -7.164 -3.205 -2.349 1.00 0.00 C ATOM 648 CG LEU A 44 -7.349 -2.876 -0.860 1.00 0.00 C ATOM 649 CD1 LEU A 44 -8.818 -2.511 -0.625 1.00 0.00 C ATOM 650 CD2 LEU A 44 -6.966 -4.041 0.056 1.00 0.00 C ATOM 0 H LEU A 44 -5.331 -1.598 -2.471 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.329 -4.315 -2.048 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.462 -2.335 -2.934 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.846 -4.014 -2.611 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.686 -2.046 -0.615 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.970 -2.274 0.428 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -9.080 -1.645 -1.233 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -9.451 -3.354 -0.902 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.117 -3.751 1.096 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.590 -4.905 -0.174 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.918 -4.298 -0.101 1.00 0.00 H new ATOM 662 N ARG A 45 -5.515 -3.665 -5.243 1.00 0.00 N ATOM 663 CA ARG A 45 -5.545 -4.356 -6.525 1.00 0.00 C ATOM 664 C ARG A 45 -4.167 -4.906 -6.862 1.00 0.00 C ATOM 665 O ARG A 45 -4.061 -6.084 -7.181 1.00 0.00 O ATOM 666 CB ARG A 45 -6.099 -3.447 -7.620 1.00 0.00 C ATOM 667 CG ARG A 45 -6.459 -4.309 -8.836 1.00 0.00 C ATOM 668 CD ARG A 45 -7.024 -3.490 -9.991 1.00 0.00 C ATOM 669 NE ARG A 45 -8.278 -2.781 -9.678 1.00 0.00 N ATOM 670 CZ ARG A 45 -8.648 -1.639 -10.276 1.00 0.00 C ATOM 671 NH1 ARG A 45 -7.911 -1.149 -11.262 1.00 0.00 N ATOM 672 NH2 ARG A 45 -9.745 -0.996 -9.894 1.00 0.00 N ATOM 0 H ARG A 45 -5.276 -2.675 -5.293 1.00 0.00 H new ATOM 0 HA ARG A 45 -6.222 -5.207 -6.455 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -6.979 -2.914 -7.260 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -5.361 -2.694 -7.896 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -5.570 -4.842 -9.174 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -7.189 -5.062 -8.539 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -6.277 -2.761 -10.303 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -7.197 -4.152 -10.839 1.00 0.00 H new ATOM 0 HE ARG A 45 -8.896 -3.179 -8.971 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -7.069 -1.640 -11.562 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -8.186 -0.281 -11.722 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -10.318 -1.370 -9.137 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -10.015 -0.128 -10.357 1.00 0.00 H new ATOM 686 N GLU A 46 -3.117 -4.097 -6.758 1.00 0.00 N ATOM 687 CA GLU A 46 -1.774 -4.548 -7.090 1.00 0.00 C ATOM 688 C GLU A 46 -1.226 -5.606 -6.119 1.00 0.00 C ATOM 689 O GLU A 46 -0.453 -6.457 -6.567 1.00 0.00 O ATOM 690 CB GLU A 46 -0.819 -3.349 -7.180 1.00 0.00 C ATOM 691 CG GLU A 46 -1.253 -2.222 -8.139 1.00 0.00 C ATOM 692 CD GLU A 46 -1.585 -2.694 -9.556 1.00 0.00 C ATOM 693 OE1 GLU A 46 -0.678 -3.205 -10.247 1.00 0.00 O ATOM 694 OE2 GLU A 46 -2.746 -2.507 -9.998 1.00 0.00 O ATOM 0 H GLU A 46 -3.172 -3.127 -6.447 1.00 0.00 H new ATOM 0 HA GLU A 46 -1.841 -5.036 -8.062 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.700 -2.927 -6.182 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.161 -3.710 -7.492 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -2.127 -1.722 -7.721 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -0.456 -1.480 -8.193 1.00 0.00 H new ATOM 701 N PHE A 47 -1.648 -5.619 -4.844 1.00 0.00 N ATOM 702 CA PHE A 47 -1.189 -6.560 -3.811 1.00 0.00 C ATOM 703 C PHE A 47 -2.252 -7.549 -3.318 1.00 0.00 C ATOM 704 O PHE A 47 -1.876 -8.616 -2.830 1.00 0.00 O ATOM 705 CB PHE A 47 -0.621 -5.782 -2.607 1.00 0.00 C ATOM 706 CG PHE A 47 0.722 -5.141 -2.885 1.00 0.00 C ATOM 707 CD1 PHE A 47 0.804 -3.863 -3.469 1.00 0.00 C ATOM 708 CD2 PHE A 47 1.898 -5.857 -2.603 1.00 0.00 C ATOM 709 CE1 PHE A 47 2.051 -3.347 -3.858 1.00 0.00 C ATOM 710 CE2 PHE A 47 3.145 -5.352 -2.993 1.00 0.00 C ATOM 711 CZ PHE A 47 3.211 -4.116 -3.659 1.00 0.00 C ATOM 0 H PHE A 47 -2.339 -4.955 -4.494 1.00 0.00 H new ATOM 0 HA PHE A 47 -0.420 -7.163 -4.294 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -1.331 -5.008 -2.316 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -0.523 -6.460 -1.759 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -0.092 -3.279 -3.618 1.00 0.00 H new ATOM 0 HD2 PHE A 47 1.840 -6.802 -2.083 1.00 0.00 H new ATOM 0 HE1 PHE A 47 2.118 -2.367 -4.307 1.00 0.00 H new ATOM 0 HE2 PHE A 47 4.047 -5.907 -2.784 1.00 0.00 H new ATOM 0 HZ PHE A 47 4.162 -3.754 -4.021 1.00 0.00 H new ATOM 721 N SER A 48 -3.546 -7.254 -3.471 1.00 0.00 N ATOM 722 CA SER A 48 -4.638 -8.124 -3.019 1.00 0.00 C ATOM 723 C SER A 48 -5.645 -8.444 -4.136 1.00 0.00 C ATOM 724 O SER A 48 -6.781 -8.858 -3.870 1.00 0.00 O ATOM 725 CB SER A 48 -5.269 -7.515 -1.756 1.00 0.00 C ATOM 726 OG SER A 48 -4.321 -7.452 -0.717 1.00 0.00 O ATOM 0 H SER A 48 -3.869 -6.395 -3.917 1.00 0.00 H new ATOM 0 HA SER A 48 -4.236 -9.101 -2.752 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.645 -6.516 -1.975 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.123 -8.115 -1.442 1.00 0.00 H new ATOM 0 HG SER A 48 -4.178 -6.517 -0.461 1.00 0.00 H new ATOM 732 N GLY A 49 -5.260 -8.204 -5.388 1.00 0.00 N ATOM 733 CA GLY A 49 -6.047 -8.446 -6.582 1.00 0.00 C ATOM 734 C GLY A 49 -5.157 -9.108 -7.632 1.00 0.00 C ATOM 735 O GLY A 49 -3.930 -9.134 -7.473 1.00 0.00 O ATOM 0 H GLY A 49 -4.341 -7.815 -5.601 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -6.898 -9.087 -6.350 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -6.450 -7.508 -6.965 1.00 0.00 H new ATOM 739 N PRO A 50 -5.747 -9.652 -8.704 1.00 0.00 N ATOM 740 CA PRO A 50 -4.993 -10.298 -9.759 1.00 0.00 C ATOM 741 C PRO A 50 -4.294 -9.261 -10.632 1.00 0.00 C ATOM 742 O PRO A 50 -4.889 -8.236 -10.988 1.00 0.00 O ATOM 743 CB PRO A 50 -6.026 -11.083 -10.559 1.00 0.00 C ATOM 744 CG PRO A 50 -7.315 -10.279 -10.389 1.00 0.00 C ATOM 745 CD PRO A 50 -7.175 -9.689 -8.985 1.00 0.00 C ATOM 0 HA PRO A 50 -4.208 -10.946 -9.368 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -5.741 -11.163 -11.608 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -6.136 -12.099 -10.180 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -7.407 -9.500 -11.146 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -8.199 -10.912 -10.474 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.608 -8.690 -8.937 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -7.701 -10.300 -8.251 1.00 0.00 H new ATOM 753 N SER A 51 -3.043 -9.539 -10.998 1.00 0.00 N ATOM 754 CA SER A 51 -2.246 -8.676 -11.852 1.00 0.00 C ATOM 755 C SER A 51 -2.672 -8.973 -13.298 1.00 0.00 C ATOM 756 O SER A 51 -1.912 -9.530 -14.093 1.00 0.00 O ATOM 757 CB SER A 51 -0.751 -8.911 -11.578 1.00 0.00 C ATOM 758 OG SER A 51 0.059 -7.928 -12.208 1.00 0.00 O ATOM 0 H SER A 51 -2.553 -10.383 -10.702 1.00 0.00 H new ATOM 0 HA SER A 51 -2.411 -7.617 -11.655 1.00 0.00 H new ATOM 0 HB2 SER A 51 -0.571 -8.896 -10.503 1.00 0.00 H new ATOM 0 HB3 SER A 51 -0.467 -9.901 -11.935 1.00 0.00 H new ATOM 0 HG SER A 51 1.002 -8.107 -12.012 1.00 0.00 H new ATOM 764 N SER A 52 -3.910 -8.621 -13.647 1.00 0.00 N ATOM 765 CA SER A 52 -4.479 -8.822 -14.974 1.00 0.00 C ATOM 766 C SER A 52 -3.757 -7.990 -16.047 1.00 0.00 C ATOM 767 O SER A 52 -4.020 -8.180 -17.232 1.00 0.00 O ATOM 768 CB SER A 52 -5.967 -8.463 -14.938 1.00 0.00 C ATOM 769 OG SER A 52 -6.682 -9.205 -13.961 1.00 0.00 O ATOM 0 H SER A 52 -4.558 -8.177 -12.996 1.00 0.00 H new ATOM 0 HA SER A 52 -4.350 -9.870 -15.245 1.00 0.00 H new ATOM 0 HB2 SER A 52 -6.076 -7.398 -14.732 1.00 0.00 H new ATOM 0 HB3 SER A 52 -6.405 -8.644 -15.920 1.00 0.00 H new ATOM 0 HG SER A 52 -7.625 -8.940 -13.975 1.00 0.00 H new ATOM 775 N GLY A 53 -2.875 -7.064 -15.672 1.00 0.00 N ATOM 776 CA GLY A 53 -2.117 -6.215 -16.571 1.00 0.00 C ATOM 777 C GLY A 53 -1.392 -5.208 -15.715 1.00 0.00 C ATOM 778 O GLY A 53 -0.185 -5.392 -15.463 1.00 0.00 O ATOM 0 H GLY A 53 -2.665 -6.883 -14.690 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -1.411 -6.805 -17.155 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -2.778 -5.715 -17.279 1.00 0.00 H new TER 782 GLY A 53 ATOM 783 N GLY B 1 13.454 10.942 8.931 1.00 0.00 N ATOM 784 CA GLY B 1 14.850 11.117 8.504 1.00 0.00 C ATOM 785 C GLY B 1 15.788 10.290 9.358 1.00 0.00 C ATOM 786 O GLY B 1 15.380 9.736 10.379 1.00 0.00 O ATOM 0 H1 GLY B 1 12.914 10.481 8.171 1.00 0.00 H new ATOM 0 H2 GLY B 1 13.424 10.350 9.786 1.00 0.00 H new ATOM 0 H3 GLY B 1 13.035 11.871 9.139 1.00 0.00 H new ATOM 0 HA2 GLY B 1 14.953 10.826 7.459 1.00 0.00 H new ATOM 0 HA3 GLY B 1 15.125 12.170 8.571 1.00 0.00 H new ATOM 790 N SER B 2 17.053 10.183 8.960 1.00 0.00 N ATOM 791 CA SER B 2 18.085 9.424 9.654 1.00 0.00 C ATOM 792 C SER B 2 19.441 10.000 9.243 1.00 0.00 C ATOM 793 O SER B 2 19.523 10.792 8.301 1.00 0.00 O ATOM 794 CB SER B 2 17.926 7.943 9.252 1.00 0.00 C ATOM 795 OG SER B 2 18.856 7.067 9.863 1.00 0.00 O ATOM 0 H SER B 2 17.398 10.639 8.115 1.00 0.00 H new ATOM 0 HA SER B 2 18.004 9.491 10.739 1.00 0.00 H new ATOM 0 HB2 SER B 2 16.917 7.617 9.506 1.00 0.00 H new ATOM 0 HB3 SER B 2 18.025 7.860 8.170 1.00 0.00 H new ATOM 0 HG SER B 2 18.689 6.150 9.560 1.00 0.00 H new ATOM 801 N SER B 3 20.495 9.667 9.980 1.00 0.00 N ATOM 802 CA SER B 3 21.840 10.125 9.680 1.00 0.00 C ATOM 803 C SER B 3 22.321 9.387 8.426 1.00 0.00 C ATOM 804 O SER B 3 21.958 8.226 8.213 1.00 0.00 O ATOM 805 CB SER B 3 22.737 9.859 10.894 1.00 0.00 C ATOM 806 OG SER B 3 22.438 8.613 11.501 1.00 0.00 O ATOM 0 H SER B 3 20.437 9.069 10.805 1.00 0.00 H new ATOM 0 HA SER B 3 21.870 11.196 9.481 1.00 0.00 H new ATOM 0 HB2 SER B 3 23.782 9.872 10.585 1.00 0.00 H new ATOM 0 HB3 SER B 3 22.610 10.659 11.623 1.00 0.00 H new ATOM 0 HG SER B 3 23.029 8.474 12.270 1.00 0.00 H new ATOM 812 N GLY B 4 23.155 10.029 7.607 1.00 0.00 N ATOM 813 CA GLY B 4 23.672 9.425 6.384 1.00 0.00 C ATOM 814 C GLY B 4 22.558 9.010 5.418 1.00 0.00 C ATOM 815 O GLY B 4 22.729 8.031 4.688 1.00 0.00 O ATOM 0 H GLY B 4 23.488 10.978 7.774 1.00 0.00 H new ATOM 0 HA2 GLY B 4 24.336 10.132 5.886 1.00 0.00 H new ATOM 0 HA3 GLY B 4 24.271 8.551 6.639 1.00 0.00 H new ATOM 819 N SER B 5 21.413 9.698 5.459 1.00 0.00 N ATOM 820 CA SER B 5 20.248 9.462 4.623 1.00 0.00 C ATOM 821 C SER B 5 20.333 10.518 3.517 1.00 0.00 C ATOM 822 O SER B 5 20.133 11.705 3.779 1.00 0.00 O ATOM 823 CB SER B 5 18.990 9.532 5.504 1.00 0.00 C ATOM 824 OG SER B 5 17.910 8.787 4.976 1.00 0.00 O ATOM 0 H SER B 5 21.274 10.471 6.110 1.00 0.00 H new ATOM 0 HA SER B 5 20.205 8.478 4.156 1.00 0.00 H new ATOM 0 HB2 SER B 5 19.229 9.161 6.501 1.00 0.00 H new ATOM 0 HB3 SER B 5 18.687 10.573 5.616 1.00 0.00 H new ATOM 0 HG SER B 5 17.137 8.863 5.574 1.00 0.00 H new ATOM 830 N SER B 6 20.690 10.111 2.298 1.00 0.00 N ATOM 831 CA SER B 6 20.856 10.961 1.119 1.00 0.00 C ATOM 832 C SER B 6 19.559 11.595 0.599 1.00 0.00 C ATOM 833 O SER B 6 19.601 12.394 -0.341 1.00 0.00 O ATOM 834 CB SER B 6 21.530 10.132 0.017 1.00 0.00 C ATOM 835 OG SER B 6 20.667 9.109 -0.438 1.00 0.00 O ATOM 0 H SER B 6 20.881 9.129 2.097 1.00 0.00 H new ATOM 0 HA SER B 6 21.476 11.806 1.418 1.00 0.00 H new ATOM 0 HB2 SER B 6 21.805 10.780 -0.816 1.00 0.00 H new ATOM 0 HB3 SER B 6 22.453 9.694 0.398 1.00 0.00 H new ATOM 0 HG SER B 6 21.114 8.593 -1.141 1.00 0.00 H new ATOM 841 N GLY B 7 18.398 11.247 1.156 1.00 0.00 N ATOM 842 CA GLY B 7 17.109 11.773 0.745 1.00 0.00 C ATOM 843 C GLY B 7 16.495 10.941 -0.377 1.00 0.00 C ATOM 844 O GLY B 7 15.283 10.720 -0.353 1.00 0.00 O ATOM 0 H GLY B 7 18.334 10.576 1.922 1.00 0.00 H new ATOM 0 HA2 GLY B 7 16.432 11.788 1.599 1.00 0.00 H new ATOM 0 HA3 GLY B 7 17.226 12.804 0.412 1.00 0.00 H new ATOM 848 N GLN B 8 17.292 10.484 -1.351 1.00 0.00 N ATOM 849 CA GLN B 8 16.829 9.678 -2.484 1.00 0.00 C ATOM 850 C GLN B 8 16.209 8.358 -2.012 1.00 0.00 C ATOM 851 O GLN B 8 16.430 7.908 -0.885 1.00 0.00 O ATOM 852 CB GLN B 8 17.987 9.436 -3.468 1.00 0.00 C ATOM 853 CG GLN B 8 18.202 10.652 -4.384 1.00 0.00 C ATOM 854 CD GLN B 8 19.582 10.634 -5.035 1.00 0.00 C ATOM 855 OE1 GLN B 8 20.586 10.584 -4.332 1.00 0.00 O ATOM 856 NE2 GLN B 8 19.694 10.750 -6.348 1.00 0.00 N ATOM 0 H GLN B 8 18.295 10.668 -1.373 1.00 0.00 H new ATOM 0 HA GLN B 8 16.046 10.230 -3.004 1.00 0.00 H new ATOM 0 HB2 GLN B 8 18.902 9.229 -2.913 1.00 0.00 H new ATOM 0 HB3 GLN B 8 17.775 8.555 -4.073 1.00 0.00 H new ATOM 0 HG2 GLN B 8 17.435 10.664 -5.158 1.00 0.00 H new ATOM 0 HG3 GLN B 8 18.085 11.568 -3.805 1.00 0.00 H new ATOM 0 HE21 GLN B 8 18.857 10.791 -6.930 1.00 0.00 H new ATOM 0 HE22 GLN B 8 20.617 10.798 -6.779 1.00 0.00 H new ATOM 865 N LEU B 9 15.448 7.711 -2.900 1.00 0.00 N ATOM 866 CA LEU B 9 14.758 6.457 -2.607 1.00 0.00 C ATOM 867 C LEU B 9 15.378 5.249 -3.310 1.00 0.00 C ATOM 868 O LEU B 9 15.045 4.126 -2.949 1.00 0.00 O ATOM 869 CB LEU B 9 13.266 6.584 -2.962 1.00 0.00 C ATOM 870 CG LEU B 9 12.450 7.444 -1.975 1.00 0.00 C ATOM 871 CD1 LEU B 9 12.663 8.957 -2.108 1.00 0.00 C ATOM 872 CD2 LEU B 9 10.964 7.179 -2.206 1.00 0.00 C ATOM 0 H LEU B 9 15.294 8.048 -3.850 1.00 0.00 H new ATOM 0 HA LEU B 9 14.868 6.276 -1.538 1.00 0.00 H new ATOM 0 HB2 LEU B 9 13.177 7.014 -3.960 1.00 0.00 H new ATOM 0 HB3 LEU B 9 12.828 5.587 -3.005 1.00 0.00 H new ATOM 0 HG LEU B 9 12.795 7.155 -0.982 1.00 0.00 H new ATOM 0 HD11 LEU B 9 12.048 9.477 -1.373 1.00 0.00 H new ATOM 0 HD12 LEU B 9 13.713 9.193 -1.935 1.00 0.00 H new ATOM 0 HD13 LEU B 9 12.380 9.278 -3.111 1.00 0.00 H new ATOM 0 HD21 LEU B 9 10.375 7.781 -1.514 1.00 0.00 H new ATOM 0 HD22 LEU B 9 10.702 7.443 -3.231 1.00 0.00 H new ATOM 0 HD23 LEU B 9 10.752 6.123 -2.038 1.00 0.00 H new ATOM 884 N SER B 10 16.259 5.442 -4.292 1.00 0.00 N ATOM 885 CA SER B 10 16.924 4.370 -5.034 1.00 0.00 C ATOM 886 C SER B 10 17.673 3.445 -4.073 1.00 0.00 C ATOM 887 O SER B 10 17.350 2.264 -3.970 1.00 0.00 O ATOM 888 CB SER B 10 17.846 4.999 -6.088 1.00 0.00 C ATOM 889 OG SER B 10 18.415 6.206 -5.596 1.00 0.00 O ATOM 0 H SER B 10 16.537 6.373 -4.602 1.00 0.00 H new ATOM 0 HA SER B 10 16.191 3.750 -5.551 1.00 0.00 H new ATOM 0 HB2 SER B 10 18.638 4.298 -6.352 1.00 0.00 H new ATOM 0 HB3 SER B 10 17.282 5.201 -6.999 1.00 0.00 H new ATOM 0 HG SER B 10 19.001 6.593 -6.279 1.00 0.00 H new ATOM 895 N SER B 11 18.621 3.988 -3.309 1.00 0.00 N ATOM 896 CA SER B 11 19.399 3.217 -2.346 1.00 0.00 C ATOM 897 C SER B 11 18.503 2.596 -1.258 1.00 0.00 C ATOM 898 O SER B 11 18.880 1.616 -0.618 1.00 0.00 O ATOM 899 CB SER B 11 20.451 4.139 -1.722 1.00 0.00 C ATOM 900 OG SER B 11 21.222 4.788 -2.727 1.00 0.00 O ATOM 0 H SER B 11 18.870 4.977 -3.342 1.00 0.00 H new ATOM 0 HA SER B 11 19.886 2.390 -2.862 1.00 0.00 H new ATOM 0 HB2 SER B 11 19.961 4.885 -1.097 1.00 0.00 H new ATOM 0 HB3 SER B 11 21.107 3.560 -1.072 1.00 0.00 H new ATOM 0 HG SER B 11 21.885 5.372 -2.304 1.00 0.00 H new ATOM 906 N GLU B 12 17.301 3.134 -1.036 1.00 0.00 N ATOM 907 CA GLU B 12 16.385 2.612 -0.031 1.00 0.00 C ATOM 908 C GLU B 12 15.729 1.318 -0.514 1.00 0.00 C ATOM 909 O GLU B 12 15.328 0.502 0.323 1.00 0.00 O ATOM 910 CB GLU B 12 15.351 3.668 0.365 1.00 0.00 C ATOM 911 CG GLU B 12 15.963 5.000 0.813 1.00 0.00 C ATOM 912 CD GLU B 12 16.790 4.840 2.089 1.00 0.00 C ATOM 913 OE1 GLU B 12 17.924 4.309 2.060 1.00 0.00 O ATOM 914 OE2 GLU B 12 16.264 5.136 3.185 1.00 0.00 O ATOM 0 H GLU B 12 16.941 3.940 -1.548 1.00 0.00 H new ATOM 0 HA GLU B 12 16.956 2.369 0.865 1.00 0.00 H new ATOM 0 HB2 GLU B 12 14.690 3.850 -0.482 1.00 0.00 H new ATOM 0 HB3 GLU B 12 14.734 3.273 1.172 1.00 0.00 H new ATOM 0 HG2 GLU B 12 16.594 5.397 0.018 1.00 0.00 H new ATOM 0 HG3 GLU B 12 15.169 5.727 0.983 1.00 0.00 H new ATOM 921 N ILE B 13 15.602 1.129 -1.836 1.00 0.00 N ATOM 922 CA ILE B 13 15.044 -0.082 -2.437 1.00 0.00 C ATOM 923 C ILE B 13 16.058 -1.177 -2.096 1.00 0.00 C ATOM 924 O ILE B 13 15.690 -2.249 -1.627 1.00 0.00 O ATOM 925 CB ILE B 13 14.866 0.072 -3.972 1.00 0.00 C ATOM 926 CG1 ILE B 13 13.817 1.150 -4.315 1.00 0.00 C ATOM 927 CG2 ILE B 13 14.460 -1.250 -4.647 1.00 0.00 C ATOM 928 CD1 ILE B 13 13.880 1.628 -5.769 1.00 0.00 C ATOM 0 H ILE B 13 15.889 1.826 -2.523 1.00 0.00 H new ATOM 0 HA ILE B 13 14.048 -0.309 -2.057 1.00 0.00 H new ATOM 0 HB ILE B 13 15.839 0.377 -4.356 1.00 0.00 H new ATOM 0 HG12 ILE B 13 12.822 0.753 -4.115 1.00 0.00 H new ATOM 0 HG13 ILE B 13 13.958 2.005 -3.654 1.00 0.00 H new ATOM 0 HG21 ILE B 13 14.348 -1.091 -5.720 1.00 0.00 H new ATOM 0 HG22 ILE B 13 15.230 -2.001 -4.470 1.00 0.00 H new ATOM 0 HG23 ILE B 13 13.514 -1.596 -4.230 1.00 0.00 H new ATOM 0 HD11 ILE B 13 13.114 2.385 -5.937 1.00 0.00 H new ATOM 0 HD12 ILE B 13 14.862 2.056 -5.969 1.00 0.00 H new ATOM 0 HD13 ILE B 13 13.709 0.784 -6.437 1.00 0.00 H new ATOM 940 N GLU B 14 17.348 -0.886 -2.270 1.00 0.00 N ATOM 941 CA GLU B 14 18.434 -1.808 -1.979 1.00 0.00 C ATOM 942 C GLU B 14 18.406 -2.153 -0.487 1.00 0.00 C ATOM 943 O GLU B 14 18.578 -3.321 -0.140 1.00 0.00 O ATOM 944 CB GLU B 14 19.770 -1.208 -2.431 1.00 0.00 C ATOM 945 CG GLU B 14 19.742 -0.910 -3.939 1.00 0.00 C ATOM 946 CD GLU B 14 21.026 -0.263 -4.443 1.00 0.00 C ATOM 947 OE1 GLU B 14 21.755 0.399 -3.662 1.00 0.00 O ATOM 948 OE2 GLU B 14 21.310 -0.374 -5.655 1.00 0.00 O ATOM 0 H GLU B 14 17.668 0.016 -2.624 1.00 0.00 H new ATOM 0 HA GLU B 14 18.310 -2.737 -2.535 1.00 0.00 H new ATOM 0 HB2 GLU B 14 19.970 -0.291 -1.877 1.00 0.00 H new ATOM 0 HB3 GLU B 14 20.581 -1.900 -2.206 1.00 0.00 H new ATOM 0 HG2 GLU B 14 19.572 -1.839 -4.484 1.00 0.00 H new ATOM 0 HG3 GLU B 14 18.900 -0.253 -4.158 1.00 0.00 H new ATOM 955 N ARG B 15 18.139 -1.184 0.403 1.00 0.00 N ATOM 956 CA ARG B 15 18.064 -1.477 1.837 1.00 0.00 C ATOM 957 C ARG B 15 16.882 -2.413 2.119 1.00 0.00 C ATOM 958 O ARG B 15 16.972 -3.233 3.036 1.00 0.00 O ATOM 959 CB ARG B 15 17.995 -0.198 2.692 1.00 0.00 C ATOM 960 CG ARG B 15 19.336 0.551 2.763 1.00 0.00 C ATOM 961 CD ARG B 15 19.510 1.340 4.066 1.00 0.00 C ATOM 962 NE ARG B 15 18.703 2.563 4.147 1.00 0.00 N ATOM 963 CZ ARG B 15 18.758 3.427 5.167 1.00 0.00 C ATOM 964 NH1 ARG B 15 19.322 3.102 6.328 1.00 0.00 N ATOM 965 NH2 ARG B 15 18.251 4.639 5.020 1.00 0.00 N ATOM 0 H ARG B 15 17.974 -0.208 0.158 1.00 0.00 H new ATOM 0 HA ARG B 15 18.985 -1.983 2.126 1.00 0.00 H new ATOM 0 HB2 ARG B 15 17.235 0.467 2.281 1.00 0.00 H new ATOM 0 HB3 ARG B 15 17.677 -0.459 3.701 1.00 0.00 H new ATOM 0 HG2 ARG B 15 20.152 -0.165 2.666 1.00 0.00 H new ATOM 0 HG3 ARG B 15 19.410 1.235 1.917 1.00 0.00 H new ATOM 0 HD2 ARG B 15 19.253 0.693 4.905 1.00 0.00 H new ATOM 0 HD3 ARG B 15 20.561 1.605 4.178 1.00 0.00 H new ATOM 0 HE ARG B 15 18.062 2.766 3.380 1.00 0.00 H new ATOM 0 HH11 ARG B 15 19.726 2.174 6.457 1.00 0.00 H new ATOM 0 HH12 ARG B 15 19.350 3.781 7.089 1.00 0.00 H new ATOM 0 HH21 ARG B 15 17.822 4.909 4.135 1.00 0.00 H new ATOM 0 HH22 ARG B 15 18.288 5.305 5.792 1.00 0.00 H new ATOM 979 N LEU B 16 15.780 -2.312 1.364 1.00 0.00 N ATOM 980 CA LEU B 16 14.610 -3.180 1.529 1.00 0.00 C ATOM 981 C LEU B 16 14.967 -4.592 1.059 1.00 0.00 C ATOM 982 O LEU B 16 14.516 -5.562 1.667 1.00 0.00 O ATOM 983 CB LEU B 16 13.386 -2.664 0.744 1.00 0.00 C ATOM 984 CG LEU B 16 12.607 -1.547 1.456 1.00 0.00 C ATOM 985 CD1 LEU B 16 11.665 -0.849 0.474 1.00 0.00 C ATOM 986 CD2 LEU B 16 11.785 -2.072 2.635 1.00 0.00 C ATOM 0 H LEU B 16 15.676 -1.623 0.619 1.00 0.00 H new ATOM 0 HA LEU B 16 14.339 -3.184 2.585 1.00 0.00 H new ATOM 0 HB2 LEU B 16 13.719 -2.297 -0.227 1.00 0.00 H new ATOM 0 HB3 LEU B 16 12.711 -3.499 0.555 1.00 0.00 H new ATOM 0 HG LEU B 16 13.347 -0.844 1.839 1.00 0.00 H new ATOM 0 HD11 LEU B 16 11.119 -0.060 0.992 1.00 0.00 H new ATOM 0 HD12 LEU B 16 12.245 -0.415 -0.340 1.00 0.00 H new ATOM 0 HD13 LEU B 16 10.958 -1.574 0.070 1.00 0.00 H new ATOM 0 HD21 LEU B 16 11.253 -1.245 3.105 1.00 0.00 H new ATOM 0 HD22 LEU B 16 11.066 -2.809 2.278 1.00 0.00 H new ATOM 0 HD23 LEU B 16 12.449 -2.537 3.364 1.00 0.00 H new ATOM 998 N MET B 17 15.789 -4.733 0.011 1.00 0.00 N ATOM 999 CA MET B 17 16.202 -6.040 -0.504 1.00 0.00 C ATOM 1000 C MET B 17 16.855 -6.882 0.600 1.00 0.00 C ATOM 1001 O MET B 17 16.681 -8.101 0.638 1.00 0.00 O ATOM 1002 CB MET B 17 17.168 -5.898 -1.686 1.00 0.00 C ATOM 1003 CG MET B 17 16.533 -5.302 -2.943 1.00 0.00 C ATOM 1004 SD MET B 17 17.590 -5.460 -4.410 1.00 0.00 S ATOM 1005 CE MET B 17 16.675 -4.461 -5.614 1.00 0.00 C ATOM 0 H MET B 17 16.184 -3.944 -0.501 1.00 0.00 H new ATOM 0 HA MET B 17 15.303 -6.547 -0.853 1.00 0.00 H new ATOM 0 HB2 MET B 17 18.006 -5.271 -1.383 1.00 0.00 H new ATOM 0 HB3 MET B 17 17.576 -6.879 -1.928 1.00 0.00 H new ATOM 0 HG2 MET B 17 15.580 -5.797 -3.133 1.00 0.00 H new ATOM 0 HG3 MET B 17 16.316 -4.248 -2.770 1.00 0.00 H new ATOM 0 HE1 MET B 17 17.019 -4.699 -6.621 1.00 0.00 H new ATOM 0 HE2 MET B 17 15.610 -4.679 -5.533 1.00 0.00 H new ATOM 0 HE3 MET B 17 16.845 -3.403 -5.413 1.00 0.00 H new ATOM 1015 N SER B 18 17.540 -6.243 1.550 1.00 0.00 N ATOM 1016 CA SER B 18 18.196 -6.910 2.669 1.00 0.00 C ATOM 1017 C SER B 18 17.193 -7.679 3.544 1.00 0.00 C ATOM 1018 O SER B 18 17.571 -8.661 4.182 1.00 0.00 O ATOM 1019 CB SER B 18 18.940 -5.875 3.514 1.00 0.00 C ATOM 1020 OG SER B 18 19.696 -5.004 2.696 1.00 0.00 O ATOM 0 H SER B 18 17.655 -5.230 1.561 1.00 0.00 H new ATOM 0 HA SER B 18 18.901 -7.636 2.263 1.00 0.00 H new ATOM 0 HB2 SER B 18 18.226 -5.299 4.102 1.00 0.00 H new ATOM 0 HB3 SER B 18 19.599 -6.381 4.219 1.00 0.00 H new ATOM 0 HG SER B 18 20.162 -4.350 3.258 1.00 0.00 H new ATOM 1026 N GLN B 19 15.928 -7.244 3.613 1.00 0.00 N ATOM 1027 CA GLN B 19 14.892 -7.916 4.401 1.00 0.00 C ATOM 1028 C GLN B 19 14.325 -9.123 3.637 1.00 0.00 C ATOM 1029 O GLN B 19 13.590 -9.927 4.210 1.00 0.00 O ATOM 1030 CB GLN B 19 13.756 -6.937 4.752 1.00 0.00 C ATOM 1031 CG GLN B 19 14.193 -5.754 5.629 1.00 0.00 C ATOM 1032 CD GLN B 19 14.811 -6.214 6.951 1.00 0.00 C ATOM 1033 OE1 GLN B 19 14.215 -6.952 7.729 1.00 0.00 O ATOM 1034 NE2 GLN B 19 16.032 -5.808 7.242 1.00 0.00 N ATOM 0 H GLN B 19 15.596 -6.414 3.122 1.00 0.00 H new ATOM 0 HA GLN B 19 15.349 -8.270 5.325 1.00 0.00 H new ATOM 0 HB2 GLN B 19 13.326 -6.550 3.828 1.00 0.00 H new ATOM 0 HB3 GLN B 19 12.966 -7.484 5.267 1.00 0.00 H new ATOM 0 HG2 GLN B 19 14.915 -5.147 5.084 1.00 0.00 H new ATOM 0 HG3 GLN B 19 13.332 -5.118 5.834 1.00 0.00 H new ATOM 0 HE21 GLN B 19 16.532 -5.194 6.599 1.00 0.00 H new ATOM 0 HE22 GLN B 19 16.476 -6.108 8.110 1.00 0.00 H new ATOM 1043 N GLY B 20 14.660 -9.271 2.353 1.00 0.00 N ATOM 1044 CA GLY B 20 14.205 -10.351 1.495 1.00 0.00 C ATOM 1045 C GLY B 20 13.103 -9.914 0.538 1.00 0.00 C ATOM 1046 O GLY B 20 12.564 -10.769 -0.166 1.00 0.00 O ATOM 0 H GLY B 20 15.277 -8.616 1.872 1.00 0.00 H new ATOM 0 HA2 GLY B 20 15.049 -10.734 0.921 1.00 0.00 H new ATOM 0 HA3 GLY B 20 13.840 -11.172 2.113 1.00 0.00 H new ATOM 1050 N TYR B 21 12.715 -8.633 0.507 1.00 0.00 N ATOM 1051 CA TYR B 21 11.669 -8.174 -0.403 1.00 0.00 C ATOM 1052 C TYR B 21 12.134 -8.312 -1.855 1.00 0.00 C ATOM 1053 O TYR B 21 13.335 -8.326 -2.144 1.00 0.00 O ATOM 1054 CB TYR B 21 11.290 -6.718 -0.113 1.00 0.00 C ATOM 1055 CG TYR B 21 10.570 -6.486 1.200 1.00 0.00 C ATOM 1056 CD1 TYR B 21 9.309 -7.067 1.433 1.00 0.00 C ATOM 1057 CD2 TYR B 21 11.133 -5.637 2.166 1.00 0.00 C ATOM 1058 CE1 TYR B 21 8.613 -6.788 2.622 1.00 0.00 C ATOM 1059 CE2 TYR B 21 10.436 -5.337 3.344 1.00 0.00 C ATOM 1060 CZ TYR B 21 9.166 -5.903 3.575 1.00 0.00 C ATOM 1061 OH TYR B 21 8.459 -5.552 4.684 1.00 0.00 O ATOM 0 H TYR B 21 13.110 -7.903 1.100 1.00 0.00 H new ATOM 0 HA TYR B 21 10.788 -8.797 -0.248 1.00 0.00 H new ATOM 0 HB2 TYR B 21 12.198 -6.115 -0.122 1.00 0.00 H new ATOM 0 HB3 TYR B 21 10.658 -6.356 -0.924 1.00 0.00 H new ATOM 0 HD1 TYR B 21 8.876 -7.728 0.697 1.00 0.00 H new ATOM 0 HD2 TYR B 21 12.112 -5.211 2.000 1.00 0.00 H new ATOM 0 HE1 TYR B 21 7.655 -7.250 2.807 1.00 0.00 H new ATOM 0 HE2 TYR B 21 10.872 -4.672 4.075 1.00 0.00 H new ATOM 0 HH TYR B 21 7.513 -5.774 4.553 1.00 0.00 H new ATOM 1071 N SER B 22 11.173 -8.426 -2.763 1.00 0.00 N ATOM 1072 CA SER B 22 11.371 -8.557 -4.194 1.00 0.00 C ATOM 1073 C SER B 22 11.339 -7.163 -4.811 1.00 0.00 C ATOM 1074 O SER B 22 10.537 -6.314 -4.411 1.00 0.00 O ATOM 1075 CB SER B 22 10.214 -9.405 -4.726 1.00 0.00 C ATOM 1076 OG SER B 22 10.153 -9.517 -6.136 1.00 0.00 O ATOM 0 H SER B 22 10.186 -8.429 -2.504 1.00 0.00 H new ATOM 0 HA SER B 22 12.324 -9.027 -4.438 1.00 0.00 H new ATOM 0 HB2 SER B 22 10.291 -10.405 -4.300 1.00 0.00 H new ATOM 0 HB3 SER B 22 9.277 -8.978 -4.370 1.00 0.00 H new ATOM 0 HG SER B 22 9.388 -10.075 -6.387 1.00 0.00 H new ATOM 1082 N TYR B 23 12.177 -6.935 -5.822 1.00 0.00 N ATOM 1083 CA TYR B 23 12.260 -5.669 -6.533 1.00 0.00 C ATOM 1084 C TYR B 23 10.887 -5.278 -7.085 1.00 0.00 C ATOM 1085 O TYR B 23 10.520 -4.106 -7.048 1.00 0.00 O ATOM 1086 CB TYR B 23 13.288 -5.810 -7.663 1.00 0.00 C ATOM 1087 CG TYR B 23 13.412 -4.605 -8.577 1.00 0.00 C ATOM 1088 CD1 TYR B 23 13.706 -3.339 -8.036 1.00 0.00 C ATOM 1089 CD2 TYR B 23 13.270 -4.752 -9.971 1.00 0.00 C ATOM 1090 CE1 TYR B 23 13.845 -2.222 -8.874 1.00 0.00 C ATOM 1091 CE2 TYR B 23 13.431 -3.642 -10.819 1.00 0.00 C ATOM 1092 CZ TYR B 23 13.716 -2.370 -10.274 1.00 0.00 C ATOM 1093 OH TYR B 23 13.835 -1.303 -11.108 1.00 0.00 O ATOM 0 H TYR B 23 12.826 -7.640 -6.172 1.00 0.00 H new ATOM 0 HA TYR B 23 12.578 -4.879 -5.853 1.00 0.00 H new ATOM 0 HB2 TYR B 23 14.264 -6.013 -7.222 1.00 0.00 H new ATOM 0 HB3 TYR B 23 13.024 -6.678 -8.267 1.00 0.00 H new ATOM 0 HD1 TYR B 23 13.825 -3.227 -6.969 1.00 0.00 H new ATOM 0 HD2 TYR B 23 13.037 -5.720 -10.389 1.00 0.00 H new ATOM 0 HE1 TYR B 23 14.050 -1.250 -8.450 1.00 0.00 H new ATOM 0 HE2 TYR B 23 13.337 -3.762 -11.888 1.00 0.00 H new ATOM 0 HH TYR B 23 13.022 -0.758 -11.060 1.00 0.00 H new ATOM 1103 N GLN B 24 10.117 -6.251 -7.589 1.00 0.00 N ATOM 1104 CA GLN B 24 8.790 -6.001 -8.141 1.00 0.00 C ATOM 1105 C GLN B 24 7.859 -5.418 -7.083 1.00 0.00 C ATOM 1106 O GLN B 24 7.247 -4.380 -7.324 1.00 0.00 O ATOM 1107 CB GLN B 24 8.203 -7.296 -8.725 1.00 0.00 C ATOM 1108 CG GLN B 24 8.651 -7.537 -10.174 1.00 0.00 C ATOM 1109 CD GLN B 24 7.724 -6.851 -11.180 1.00 0.00 C ATOM 1110 OE1 GLN B 24 6.870 -7.497 -11.782 1.00 0.00 O ATOM 1111 NE2 GLN B 24 7.868 -5.558 -11.421 1.00 0.00 N ATOM 0 H GLN B 24 10.401 -7.230 -7.623 1.00 0.00 H new ATOM 0 HA GLN B 24 8.886 -5.269 -8.943 1.00 0.00 H new ATOM 0 HB2 GLN B 24 8.507 -8.141 -8.108 1.00 0.00 H new ATOM 0 HB3 GLN B 24 7.115 -7.249 -8.687 1.00 0.00 H new ATOM 0 HG2 GLN B 24 9.668 -7.166 -10.306 1.00 0.00 H new ATOM 0 HG3 GLN B 24 8.674 -8.608 -10.373 1.00 0.00 H new ATOM 0 HE21 GLN B 24 8.577 -5.022 -10.921 1.00 0.00 H new ATOM 0 HE22 GLN B 24 7.270 -5.097 -12.107 1.00 0.00 H new ATOM 1120 N ASP B 25 7.758 -6.060 -5.917 1.00 0.00 N ATOM 1121 CA ASP B 25 6.887 -5.593 -4.842 1.00 0.00 C ATOM 1122 C ASP B 25 7.324 -4.211 -4.372 1.00 0.00 C ATOM 1123 O ASP B 25 6.475 -3.349 -4.155 1.00 0.00 O ATOM 1124 CB ASP B 25 6.855 -6.564 -3.654 1.00 0.00 C ATOM 1125 CG ASP B 25 6.242 -7.920 -4.002 1.00 0.00 C ATOM 1126 OD1 ASP B 25 5.051 -7.990 -4.385 1.00 0.00 O ATOM 1127 OD2 ASP B 25 6.970 -8.931 -3.931 1.00 0.00 O ATOM 0 H ASP B 25 8.274 -6.911 -5.695 1.00 0.00 H new ATOM 0 HA ASP B 25 5.877 -5.540 -5.248 1.00 0.00 H new ATOM 0 HB2 ASP B 25 7.871 -6.715 -3.289 1.00 0.00 H new ATOM 0 HB3 ASP B 25 6.287 -6.114 -2.840 1.00 0.00 H new ATOM 1132 N ILE B 26 8.632 -3.964 -4.229 1.00 0.00 N ATOM 1133 CA ILE B 26 9.109 -2.657 -3.782 1.00 0.00 C ATOM 1134 C ILE B 26 8.671 -1.581 -4.788 1.00 0.00 C ATOM 1135 O ILE B 26 8.145 -0.547 -4.378 1.00 0.00 O ATOM 1136 CB ILE B 26 10.635 -2.645 -3.539 1.00 0.00 C ATOM 1137 CG1 ILE B 26 11.111 -3.696 -2.508 1.00 0.00 C ATOM 1138 CG2 ILE B 26 11.022 -1.248 -3.024 1.00 0.00 C ATOM 1139 CD1 ILE B 26 12.605 -4.019 -2.669 1.00 0.00 C ATOM 0 H ILE B 26 9.368 -4.645 -4.415 1.00 0.00 H new ATOM 0 HA ILE B 26 8.657 -2.433 -2.816 1.00 0.00 H new ATOM 0 HB ILE B 26 11.115 -2.893 -4.485 1.00 0.00 H new ATOM 0 HG12 ILE B 26 10.926 -3.326 -1.500 1.00 0.00 H new ATOM 0 HG13 ILE B 26 10.527 -4.609 -2.624 1.00 0.00 H new ATOM 0 HG21 ILE B 26 12.096 -1.211 -2.844 1.00 0.00 H new ATOM 0 HG22 ILE B 26 10.753 -0.498 -3.768 1.00 0.00 H new ATOM 0 HG23 ILE B 26 10.491 -1.043 -2.094 1.00 0.00 H new ATOM 0 HD11 ILE B 26 12.899 -4.761 -1.926 1.00 0.00 H new ATOM 0 HD12 ILE B 26 12.786 -4.415 -3.668 1.00 0.00 H new ATOM 0 HD13 ILE B 26 13.191 -3.111 -2.526 1.00 0.00 H new ATOM 1151 N GLN B 27 8.876 -1.811 -6.087 1.00 0.00 N ATOM 1152 CA GLN B 27 8.497 -0.869 -7.137 1.00 0.00 C ATOM 1153 C GLN B 27 6.987 -0.632 -7.084 1.00 0.00 C ATOM 1154 O GLN B 27 6.547 0.506 -6.945 1.00 0.00 O ATOM 1155 CB GLN B 27 8.935 -1.410 -8.508 1.00 0.00 C ATOM 1156 CG GLN B 27 10.461 -1.483 -8.666 1.00 0.00 C ATOM 1157 CD GLN B 27 11.059 -0.242 -9.311 1.00 0.00 C ATOM 1158 OE1 GLN B 27 11.078 -0.126 -10.531 1.00 0.00 O ATOM 1159 NE2 GLN B 27 11.610 0.671 -8.533 1.00 0.00 N ATOM 0 H GLN B 27 9.313 -2.663 -6.440 1.00 0.00 H new ATOM 0 HA GLN B 27 8.999 0.086 -6.980 1.00 0.00 H new ATOM 0 HB2 GLN B 27 8.513 -2.405 -8.652 1.00 0.00 H new ATOM 0 HB3 GLN B 27 8.524 -0.773 -9.292 1.00 0.00 H new ATOM 0 HG2 GLN B 27 10.914 -1.629 -7.685 1.00 0.00 H new ATOM 0 HG3 GLN B 27 10.716 -2.355 -9.268 1.00 0.00 H new ATOM 0 HE21 GLN B 27 11.586 0.559 -7.519 1.00 0.00 H new ATOM 0 HE22 GLN B 27 12.060 1.488 -8.945 1.00 0.00 H new ATOM 1168 N LYS B 28 6.176 -1.696 -7.138 1.00 0.00 N ATOM 1169 CA LYS B 28 4.714 -1.591 -7.090 1.00 0.00 C ATOM 1170 C LYS B 28 4.263 -0.787 -5.867 1.00 0.00 C ATOM 1171 O LYS B 28 3.273 -0.064 -5.943 1.00 0.00 O ATOM 1172 CB LYS B 28 4.079 -2.996 -7.102 1.00 0.00 C ATOM 1173 CG LYS B 28 4.229 -3.711 -8.458 1.00 0.00 C ATOM 1174 CD LYS B 28 3.849 -5.202 -8.402 1.00 0.00 C ATOM 1175 CE LYS B 28 2.329 -5.415 -8.343 1.00 0.00 C ATOM 1176 NZ LYS B 28 1.964 -6.847 -8.305 1.00 0.00 N ATOM 0 H LYS B 28 6.516 -2.654 -7.216 1.00 0.00 H new ATOM 0 HA LYS B 28 4.374 -1.056 -7.977 1.00 0.00 H new ATOM 0 HB2 LYS B 28 4.540 -3.604 -6.324 1.00 0.00 H new ATOM 0 HB3 LYS B 28 3.020 -2.913 -6.856 1.00 0.00 H new ATOM 0 HG2 LYS B 28 3.603 -3.211 -9.197 1.00 0.00 H new ATOM 0 HG3 LYS B 28 5.260 -3.618 -8.799 1.00 0.00 H new ATOM 0 HD2 LYS B 28 4.251 -5.710 -9.279 1.00 0.00 H new ATOM 0 HD3 LYS B 28 4.312 -5.660 -7.528 1.00 0.00 H new ATOM 0 HE2 LYS B 28 1.929 -4.917 -7.460 1.00 0.00 H new ATOM 0 HE3 LYS B 28 1.865 -4.947 -9.211 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 1.121 -6.975 -7.709 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 1.760 -7.179 -9.269 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 2.754 -7.396 -7.910 1.00 0.00 H new ATOM 1190 N ALA B 29 4.961 -0.916 -4.739 1.00 0.00 N ATOM 1191 CA ALA B 29 4.645 -0.206 -3.508 1.00 0.00 C ATOM 1192 C ALA B 29 4.942 1.280 -3.683 1.00 0.00 C ATOM 1193 O ALA B 29 4.078 2.103 -3.404 1.00 0.00 O ATOM 1194 CB ALA B 29 5.454 -0.776 -2.337 1.00 0.00 C ATOM 0 H ALA B 29 5.774 -1.527 -4.657 1.00 0.00 H new ATOM 0 HA ALA B 29 3.586 -0.335 -3.286 1.00 0.00 H new ATOM 0 HB1 ALA B 29 5.205 -0.234 -1.425 1.00 0.00 H new ATOM 0 HB2 ALA B 29 5.214 -1.831 -2.208 1.00 0.00 H new ATOM 0 HB3 ALA B 29 6.519 -0.669 -2.544 1.00 0.00 H new ATOM 1200 N LEU B 30 6.155 1.621 -4.132 1.00 0.00 N ATOM 1201 CA LEU B 30 6.598 2.997 -4.343 1.00 0.00 C ATOM 1202 C LEU B 30 5.641 3.762 -5.242 1.00 0.00 C ATOM 1203 O LEU B 30 5.288 4.893 -4.912 1.00 0.00 O ATOM 1204 CB LEU B 30 7.994 3.028 -4.981 1.00 0.00 C ATOM 1205 CG LEU B 30 9.170 2.843 -4.014 1.00 0.00 C ATOM 1206 CD1 LEU B 30 10.453 2.764 -4.850 1.00 0.00 C ATOM 1207 CD2 LEU B 30 9.273 4.011 -3.023 1.00 0.00 C ATOM 0 H LEU B 30 6.869 0.930 -4.363 1.00 0.00 H new ATOM 0 HA LEU B 30 6.625 3.472 -3.363 1.00 0.00 H new ATOM 0 HB2 LEU B 30 8.044 2.247 -5.739 1.00 0.00 H new ATOM 0 HB3 LEU B 30 8.117 3.981 -5.496 1.00 0.00 H new ATOM 0 HG LEU B 30 9.020 1.933 -3.433 1.00 0.00 H new ATOM 0 HD11 LEU B 30 11.310 2.632 -4.190 1.00 0.00 H new ATOM 0 HD12 LEU B 30 10.389 1.919 -5.535 1.00 0.00 H new ATOM 0 HD13 LEU B 30 10.573 3.685 -5.420 1.00 0.00 H new ATOM 0 HD21 LEU B 30 10.117 3.847 -2.353 1.00 0.00 H new ATOM 0 HD22 LEU B 30 9.421 4.941 -3.571 1.00 0.00 H new ATOM 0 HD23 LEU B 30 8.354 4.076 -2.440 1.00 0.00 H new ATOM 1219 N VAL B 31 5.222 3.162 -6.357 1.00 0.00 N ATOM 1220 CA VAL B 31 4.303 3.767 -7.316 1.00 0.00 C ATOM 1221 C VAL B 31 3.020 4.192 -6.595 1.00 0.00 C ATOM 1222 O VAL B 31 2.646 5.365 -6.605 1.00 0.00 O ATOM 1223 CB VAL B 31 4.024 2.755 -8.450 1.00 0.00 C ATOM 1224 CG1 VAL B 31 2.981 3.269 -9.450 1.00 0.00 C ATOM 1225 CG2 VAL B 31 5.294 2.425 -9.243 1.00 0.00 C ATOM 0 H VAL B 31 5.519 2.223 -6.622 1.00 0.00 H new ATOM 0 HA VAL B 31 4.741 4.661 -7.760 1.00 0.00 H new ATOM 0 HB VAL B 31 3.646 1.864 -7.949 1.00 0.00 H new ATOM 0 HG11 VAL B 31 2.822 2.521 -10.226 1.00 0.00 H new ATOM 0 HG12 VAL B 31 2.042 3.459 -8.931 1.00 0.00 H new ATOM 0 HG13 VAL B 31 3.337 4.193 -9.905 1.00 0.00 H new ATOM 0 HG21 VAL B 31 5.056 1.710 -10.031 1.00 0.00 H new ATOM 0 HG22 VAL B 31 5.692 3.337 -9.688 1.00 0.00 H new ATOM 0 HG23 VAL B 31 6.038 1.993 -8.574 1.00 0.00 H new ATOM 1235 N ILE B 32 2.361 3.241 -5.933 1.00 0.00 N ATOM 1236 CA ILE B 32 1.117 3.468 -5.208 1.00 0.00 C ATOM 1237 C ILE B 32 1.324 4.425 -4.029 1.00 0.00 C ATOM 1238 O ILE B 32 0.389 5.105 -3.606 1.00 0.00 O ATOM 1239 CB ILE B 32 0.545 2.113 -4.750 1.00 0.00 C ATOM 1240 CG1 ILE B 32 0.350 1.125 -5.921 1.00 0.00 C ATOM 1241 CG2 ILE B 32 -0.802 2.347 -4.063 1.00 0.00 C ATOM 1242 CD1 ILE B 32 0.146 -0.316 -5.444 1.00 0.00 C ATOM 0 H ILE B 32 2.685 2.275 -5.887 1.00 0.00 H new ATOM 0 HA ILE B 32 0.397 3.947 -5.872 1.00 0.00 H new ATOM 0 HB ILE B 32 1.265 1.668 -4.063 1.00 0.00 H new ATOM 0 HG12 ILE B 32 -0.511 1.434 -6.513 1.00 0.00 H new ATOM 0 HG13 ILE B 32 1.220 1.168 -6.577 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -1.214 1.393 -3.736 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -0.662 2.997 -3.199 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -1.491 2.818 -4.764 1.00 0.00 H new ATOM 0 HD11 ILE B 32 0.014 -0.969 -6.306 1.00 0.00 H new ATOM 0 HD12 ILE B 32 1.018 -0.638 -4.875 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -0.740 -0.368 -4.811 1.00 0.00 H new ATOM 1254 N ALA B 33 2.533 4.489 -3.484 1.00 0.00 N ATOM 1255 CA ALA B 33 2.892 5.355 -2.380 1.00 0.00 C ATOM 1256 C ALA B 33 3.308 6.745 -2.876 1.00 0.00 C ATOM 1257 O ALA B 33 3.755 7.547 -2.064 1.00 0.00 O ATOM 1258 CB ALA B 33 3.999 4.685 -1.570 1.00 0.00 C ATOM 0 H ALA B 33 3.312 3.919 -3.813 1.00 0.00 H new ATOM 0 HA ALA B 33 2.025 5.506 -1.737 1.00 0.00 H new ATOM 0 HB1 ALA B 33 4.279 5.327 -0.735 1.00 0.00 H new ATOM 0 HB2 ALA B 33 3.642 3.728 -1.188 1.00 0.00 H new ATOM 0 HB3 ALA B 33 4.868 4.520 -2.208 1.00 0.00 H new ATOM 1264 N HIS B 34 3.156 7.049 -4.172 1.00 0.00 N ATOM 1265 CA HIS B 34 3.526 8.329 -4.778 1.00 0.00 C ATOM 1266 C HIS B 34 5.001 8.640 -4.486 1.00 0.00 C ATOM 1267 O HIS B 34 5.370 9.738 -4.068 1.00 0.00 O ATOM 1268 CB HIS B 34 2.573 9.453 -4.343 1.00 0.00 C ATOM 1269 CG HIS B 34 1.104 9.173 -4.559 1.00 0.00 C ATOM 1270 ND1 HIS B 34 0.077 9.711 -3.815 1.00 0.00 N ATOM 1271 CD2 HIS B 34 0.546 8.333 -5.488 1.00 0.00 C ATOM 1272 CE1 HIS B 34 -1.074 9.175 -4.260 1.00 0.00 C ATOM 1273 NE2 HIS B 34 -0.843 8.359 -5.304 1.00 0.00 N ATOM 0 H HIS B 34 2.761 6.391 -4.844 1.00 0.00 H new ATOM 0 HA HIS B 34 3.419 8.256 -5.860 1.00 0.00 H new ATOM 0 HB2 HIS B 34 2.736 9.656 -3.284 1.00 0.00 H new ATOM 0 HB3 HIS B 34 2.837 10.361 -4.885 1.00 0.00 H new ATOM 0 HD2 HIS B 34 1.080 7.756 -6.228 1.00 0.00 H new ATOM 0 HE1 HIS B 34 -2.048 9.373 -3.838 1.00 0.00 H new ATOM 0 HE2 HIS B 34 -1.541 7.858 -5.853 1.00 0.00 H new ATOM 1281 N ASN B 35 5.856 7.651 -4.762 1.00 0.00 N ATOM 1282 CA ASN B 35 7.298 7.687 -4.565 1.00 0.00 C ATOM 1283 C ASN B 35 7.652 8.055 -3.124 1.00 0.00 C ATOM 1284 O ASN B 35 8.460 8.953 -2.883 1.00 0.00 O ATOM 1285 CB ASN B 35 7.999 8.561 -5.623 1.00 0.00 C ATOM 1286 CG ASN B 35 7.931 7.923 -6.997 1.00 0.00 C ATOM 1287 OD1 ASN B 35 8.445 6.822 -7.193 1.00 0.00 O ATOM 1288 ND2 ASN B 35 7.282 8.557 -7.958 1.00 0.00 N ATOM 0 H ASN B 35 5.540 6.761 -5.148 1.00 0.00 H new ATOM 0 HA ASN B 35 7.688 6.681 -4.720 1.00 0.00 H new ATOM 0 HB2 ASN B 35 7.531 9.545 -5.653 1.00 0.00 H new ATOM 0 HB3 ASN B 35 9.041 8.712 -5.341 1.00 0.00 H new ATOM 0 HD21 ASN B 35 7.200 8.134 -8.883 1.00 0.00 H new ATOM 0 HD22 ASN B 35 6.863 9.469 -7.775 1.00 0.00 H new ATOM 1295 N ASN B 36 7.079 7.330 -2.161 1.00 0.00 N ATOM 1296 CA ASN B 36 7.312 7.516 -0.734 1.00 0.00 C ATOM 1297 C ASN B 36 7.796 6.189 -0.143 1.00 0.00 C ATOM 1298 O ASN B 36 7.029 5.229 -0.075 1.00 0.00 O ATOM 1299 CB ASN B 36 6.047 8.017 -0.030 1.00 0.00 C ATOM 1300 CG ASN B 36 6.314 8.318 1.437 1.00 0.00 C ATOM 1301 OD1 ASN B 36 7.194 7.749 2.073 1.00 0.00 O ATOM 1302 ND2 ASN B 36 5.534 9.181 2.042 1.00 0.00 N ATOM 0 H ASN B 36 6.422 6.576 -2.362 1.00 0.00 H new ATOM 0 HA ASN B 36 8.076 8.278 -0.582 1.00 0.00 H new ATOM 0 HB2 ASN B 36 5.683 8.916 -0.528 1.00 0.00 H new ATOM 0 HB3 ASN B 36 5.261 7.267 -0.112 1.00 0.00 H new ATOM 0 HD21 ASN B 36 5.662 9.375 3.035 1.00 0.00 H new ATOM 0 HD22 ASN B 36 4.800 9.658 1.519 1.00 0.00 H new ATOM 1309 N ILE B 37 9.065 6.125 0.263 1.00 0.00 N ATOM 1310 CA ILE B 37 9.708 4.950 0.848 1.00 0.00 C ATOM 1311 C ILE B 37 9.078 4.552 2.186 1.00 0.00 C ATOM 1312 O ILE B 37 8.894 3.368 2.452 1.00 0.00 O ATOM 1313 CB ILE B 37 11.236 5.202 0.997 1.00 0.00 C ATOM 1314 CG1 ILE B 37 11.992 4.087 1.755 1.00 0.00 C ATOM 1315 CG2 ILE B 37 11.595 6.508 1.724 1.00 0.00 C ATOM 1316 CD1 ILE B 37 12.078 2.797 0.950 1.00 0.00 C ATOM 0 H ILE B 37 9.697 6.922 0.190 1.00 0.00 H new ATOM 0 HA ILE B 37 9.552 4.110 0.171 1.00 0.00 H new ATOM 0 HB ILE B 37 11.548 5.243 -0.047 1.00 0.00 H new ATOM 0 HG12 ILE B 37 12.998 4.431 1.994 1.00 0.00 H new ATOM 0 HG13 ILE B 37 11.489 3.889 2.702 1.00 0.00 H new ATOM 0 HG21 ILE B 37 12.679 6.605 1.784 1.00 0.00 H new ATOM 0 HG22 ILE B 37 11.185 7.355 1.174 1.00 0.00 H new ATOM 0 HG23 ILE B 37 11.176 6.491 2.730 1.00 0.00 H new ATOM 0 HD11 ILE B 37 12.618 2.045 1.525 1.00 0.00 H new ATOM 0 HD12 ILE B 37 11.073 2.436 0.733 1.00 0.00 H new ATOM 0 HD13 ILE B 37 12.605 2.986 0.015 1.00 0.00 H new ATOM 1328 N GLU B 38 8.786 5.517 3.049 1.00 0.00 N ATOM 1329 CA GLU B 38 8.219 5.296 4.374 1.00 0.00 C ATOM 1330 C GLU B 38 6.788 4.781 4.278 1.00 0.00 C ATOM 1331 O GLU B 38 6.384 3.875 5.014 1.00 0.00 O ATOM 1332 CB GLU B 38 8.363 6.584 5.196 1.00 0.00 C ATOM 1333 CG GLU B 38 9.851 6.997 5.211 1.00 0.00 C ATOM 1334 CD GLU B 38 10.276 7.901 6.361 1.00 0.00 C ATOM 1335 OE1 GLU B 38 10.177 9.144 6.246 1.00 0.00 O ATOM 1336 OE2 GLU B 38 10.800 7.364 7.368 1.00 0.00 O ATOM 0 H GLU B 38 8.941 6.503 2.841 1.00 0.00 H new ATOM 0 HA GLU B 38 8.767 4.512 4.897 1.00 0.00 H new ATOM 0 HB2 GLU B 38 7.755 7.378 4.764 1.00 0.00 H new ATOM 0 HB3 GLU B 38 8.004 6.425 6.213 1.00 0.00 H new ATOM 0 HG2 GLU B 38 10.459 6.093 5.240 1.00 0.00 H new ATOM 0 HG3 GLU B 38 10.078 7.503 4.273 1.00 0.00 H new ATOM 1343 N MET B 39 6.023 5.334 3.344 1.00 0.00 N ATOM 1344 CA MET B 39 4.653 4.919 3.123 1.00 0.00 C ATOM 1345 C MET B 39 4.709 3.517 2.518 1.00 0.00 C ATOM 1346 O MET B 39 4.032 2.617 3.007 1.00 0.00 O ATOM 1347 CB MET B 39 3.970 5.942 2.224 1.00 0.00 C ATOM 1348 CG MET B 39 2.451 5.874 2.238 1.00 0.00 C ATOM 1349 SD MET B 39 1.741 7.411 1.561 1.00 0.00 S ATOM 1350 CE MET B 39 -0.006 7.270 2.012 1.00 0.00 C ATOM 0 H MET B 39 6.338 6.080 2.723 1.00 0.00 H new ATOM 0 HA MET B 39 4.065 4.875 4.040 1.00 0.00 H new ATOM 0 HB2 MET B 39 4.280 6.941 2.530 1.00 0.00 H new ATOM 0 HB3 MET B 39 4.319 5.799 1.201 1.00 0.00 H new ATOM 0 HG2 MET B 39 2.113 5.020 1.651 1.00 0.00 H new ATOM 0 HG3 MET B 39 2.097 5.720 3.257 1.00 0.00 H new ATOM 0 HE1 MET B 39 -0.521 8.199 1.766 1.00 0.00 H new ATOM 0 HE2 MET B 39 -0.459 6.447 1.460 1.00 0.00 H new ATOM 0 HE3 MET B 39 -0.091 7.080 3.082 1.00 0.00 H new ATOM 1360 N ALA B 40 5.571 3.292 1.517 1.00 0.00 N ATOM 1361 CA ALA B 40 5.724 1.993 0.877 1.00 0.00 C ATOM 1362 C ALA B 40 6.148 0.931 1.901 1.00 0.00 C ATOM 1363 O ALA B 40 5.648 -0.193 1.855 1.00 0.00 O ATOM 1364 CB ALA B 40 6.742 2.089 -0.262 1.00 0.00 C ATOM 0 H ALA B 40 6.181 4.013 1.132 1.00 0.00 H new ATOM 0 HA ALA B 40 4.763 1.691 0.460 1.00 0.00 H new ATOM 0 HB1 ALA B 40 6.851 1.113 -0.736 1.00 0.00 H new ATOM 0 HB2 ALA B 40 6.396 2.814 -0.999 1.00 0.00 H new ATOM 0 HB3 ALA B 40 7.705 2.408 0.137 1.00 0.00 H new ATOM 1370 N LYS B 41 7.042 1.277 2.840 1.00 0.00 N ATOM 1371 CA LYS B 41 7.516 0.380 3.898 1.00 0.00 C ATOM 1372 C LYS B 41 6.314 -0.144 4.670 1.00 0.00 C ATOM 1373 O LYS B 41 6.236 -1.343 4.926 1.00 0.00 O ATOM 1374 CB LYS B 41 8.472 1.117 4.857 1.00 0.00 C ATOM 1375 CG LYS B 41 9.940 0.992 4.441 1.00 0.00 C ATOM 1376 CD LYS B 41 10.816 2.005 5.193 1.00 0.00 C ATOM 1377 CE LYS B 41 12.282 1.875 4.774 1.00 0.00 C ATOM 1378 NZ LYS B 41 12.959 0.695 5.357 1.00 0.00 N ATOM 0 H LYS B 41 7.462 2.206 2.884 1.00 0.00 H new ATOM 0 HA LYS B 41 8.063 -0.447 3.446 1.00 0.00 H new ATOM 0 HB2 LYS B 41 8.199 2.171 4.896 1.00 0.00 H new ATOM 0 HB3 LYS B 41 8.349 0.718 5.864 1.00 0.00 H new ATOM 0 HG2 LYS B 41 10.293 -0.019 4.642 1.00 0.00 H new ATOM 0 HG3 LYS B 41 10.032 1.154 3.367 1.00 0.00 H new ATOM 0 HD2 LYS B 41 10.464 3.017 4.991 1.00 0.00 H new ATOM 0 HD3 LYS B 41 10.725 1.844 6.267 1.00 0.00 H new ATOM 0 HE2 LYS B 41 12.337 1.816 3.687 1.00 0.00 H new ATOM 0 HE3 LYS B 41 12.818 2.776 5.072 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 13.947 0.667 5.034 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 12.936 0.759 6.395 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 12.470 -0.171 5.053 1.00 0.00 H new ATOM 1392 N ASN B 42 5.383 0.735 5.043 1.00 0.00 N ATOM 1393 CA ASN B 42 4.183 0.347 5.775 1.00 0.00 C ATOM 1394 C ASN B 42 3.401 -0.697 4.972 1.00 0.00 C ATOM 1395 O ASN B 42 3.023 -1.725 5.534 1.00 0.00 O ATOM 1396 CB ASN B 42 3.310 1.566 6.091 1.00 0.00 C ATOM 1397 CG ASN B 42 3.749 2.335 7.320 1.00 0.00 C ATOM 1398 OD1 ASN B 42 3.468 1.934 8.441 1.00 0.00 O ATOM 1399 ND2 ASN B 42 4.481 3.426 7.170 1.00 0.00 N ATOM 0 H ASN B 42 5.442 1.734 4.845 1.00 0.00 H new ATOM 0 HA ASN B 42 4.481 -0.094 6.726 1.00 0.00 H new ATOM 0 HB2 ASN B 42 3.317 2.238 5.233 1.00 0.00 H new ATOM 0 HB3 ASN B 42 2.280 1.237 6.229 1.00 0.00 H new ATOM 0 HD21 ASN B 42 4.812 3.935 7.990 1.00 0.00 H new ATOM 0 HD22 ASN B 42 4.714 3.759 6.235 1.00 0.00 H new ATOM 1406 N ILE B 43 3.182 -0.473 3.668 1.00 0.00 N ATOM 1407 CA ILE B 43 2.452 -1.415 2.808 1.00 0.00 C ATOM 1408 C ILE B 43 3.162 -2.763 2.861 1.00 0.00 C ATOM 1409 O ILE B 43 2.561 -3.773 3.226 1.00 0.00 O ATOM 1410 CB ILE B 43 2.288 -0.920 1.347 1.00 0.00 C ATOM 1411 CG1 ILE B 43 1.829 0.549 1.256 1.00 0.00 C ATOM 1412 CG2 ILE B 43 1.256 -1.819 0.650 1.00 0.00 C ATOM 1413 CD1 ILE B 43 1.773 1.130 -0.158 1.00 0.00 C ATOM 0 H ILE B 43 3.505 0.363 3.182 1.00 0.00 H new ATOM 0 HA ILE B 43 1.435 -1.505 3.190 1.00 0.00 H new ATOM 0 HB ILE B 43 3.263 -0.975 0.863 1.00 0.00 H new ATOM 0 HG12 ILE B 43 0.839 0.632 1.704 1.00 0.00 H new ATOM 0 HG13 ILE B 43 2.503 1.161 1.856 1.00 0.00 H new ATOM 0 HG21 ILE B 43 1.124 -1.490 -0.381 1.00 0.00 H new ATOM 0 HG22 ILE B 43 1.607 -2.851 0.659 1.00 0.00 H new ATOM 0 HG23 ILE B 43 0.304 -1.755 1.176 1.00 0.00 H new ATOM 0 HD11 ILE B 43 1.439 2.167 -0.112 1.00 0.00 H new ATOM 0 HD12 ILE B 43 2.765 1.088 -0.608 1.00 0.00 H new ATOM 0 HD13 ILE B 43 1.075 0.550 -0.762 1.00 0.00 H new ATOM 1425 N LEU B 44 4.464 -2.761 2.569 1.00 0.00 N ATOM 1426 CA LEU B 44 5.308 -3.948 2.563 1.00 0.00 C ATOM 1427 C LEU B 44 5.377 -4.630 3.935 1.00 0.00 C ATOM 1428 O LEU B 44 5.866 -5.755 4.009 1.00 0.00 O ATOM 1429 CB LEU B 44 6.720 -3.580 2.077 1.00 0.00 C ATOM 1430 CG LEU B 44 6.829 -3.182 0.595 1.00 0.00 C ATOM 1431 CD1 LEU B 44 8.250 -2.678 0.331 1.00 0.00 C ATOM 1432 CD2 LEU B 44 6.541 -4.347 -0.362 1.00 0.00 C ATOM 0 H LEU B 44 4.970 -1.910 2.324 1.00 0.00 H new ATOM 0 HA LEU B 44 4.857 -4.665 1.877 1.00 0.00 H new ATOM 0 HB2 LEU B 44 7.091 -2.755 2.685 1.00 0.00 H new ATOM 0 HB3 LEU B 44 7.380 -4.429 2.256 1.00 0.00 H new ATOM 0 HG LEU B 44 6.080 -2.412 0.408 1.00 0.00 H new ATOM 0 HD11 LEU B 44 8.346 -2.391 -0.716 1.00 0.00 H new ATOM 0 HD12 LEU B 44 8.453 -1.814 0.964 1.00 0.00 H new ATOM 0 HD13 LEU B 44 8.965 -3.469 0.557 1.00 0.00 H new ATOM 0 HD21 LEU B 44 6.634 -4.003 -1.392 1.00 0.00 H new ATOM 0 HD22 LEU B 44 7.255 -5.151 -0.182 1.00 0.00 H new ATOM 0 HD23 LEU B 44 5.529 -4.716 -0.192 1.00 0.00 H new ATOM 1444 N ARG B 45 4.956 -3.991 5.033 1.00 0.00 N ATOM 1445 CA ARG B 45 4.976 -4.592 6.366 1.00 0.00 C ATOM 1446 C ARG B 45 3.613 -5.210 6.687 1.00 0.00 C ATOM 1447 O ARG B 45 3.575 -6.246 7.341 1.00 0.00 O ATOM 1448 CB ARG B 45 5.393 -3.554 7.427 1.00 0.00 C ATOM 1449 CG ARG B 45 5.832 -4.244 8.731 1.00 0.00 C ATOM 1450 CD ARG B 45 6.195 -3.274 9.863 1.00 0.00 C ATOM 1451 NE ARG B 45 7.355 -2.416 9.563 1.00 0.00 N ATOM 1452 CZ ARG B 45 7.930 -1.559 10.418 1.00 0.00 C ATOM 1453 NH1 ARG B 45 7.515 -1.440 11.675 1.00 0.00 N ATOM 1454 NH2 ARG B 45 8.932 -0.799 9.996 1.00 0.00 N ATOM 0 H ARG B 45 4.591 -3.039 5.019 1.00 0.00 H new ATOM 0 HA ARG B 45 5.719 -5.390 6.382 1.00 0.00 H new ATOM 0 HB2 ARG B 45 6.209 -2.943 7.042 1.00 0.00 H new ATOM 0 HB3 ARG B 45 4.560 -2.881 7.630 1.00 0.00 H new ATOM 0 HG2 ARG B 45 5.029 -4.898 9.071 1.00 0.00 H new ATOM 0 HG3 ARG B 45 6.693 -4.879 8.521 1.00 0.00 H new ATOM 0 HD2 ARG B 45 5.333 -2.642 10.077 1.00 0.00 H new ATOM 0 HD3 ARG B 45 6.403 -3.847 10.767 1.00 0.00 H new ATOM 0 HE ARG B 45 7.754 -2.480 8.626 1.00 0.00 H new ATOM 0 HH11 ARG B 45 6.739 -2.010 12.012 1.00 0.00 H new ATOM 0 HH12 ARG B 45 7.972 -0.779 12.303 1.00 0.00 H new ATOM 0 HH21 ARG B 45 9.256 -0.871 9.031 1.00 0.00 H new ATOM 0 HH22 ARG B 45 9.379 -0.142 10.636 1.00 0.00 H new ATOM 1468 N GLU B 46 2.510 -4.627 6.211 1.00 0.00 N ATOM 1469 CA GLU B 46 1.171 -5.143 6.483 1.00 0.00 C ATOM 1470 C GLU B 46 0.680 -6.162 5.457 1.00 0.00 C ATOM 1471 O GLU B 46 0.023 -7.126 5.858 1.00 0.00 O ATOM 1472 CB GLU B 46 0.157 -3.993 6.536 1.00 0.00 C ATOM 1473 CG GLU B 46 0.234 -3.145 7.814 1.00 0.00 C ATOM 1474 CD GLU B 46 -0.095 -3.880 9.111 1.00 0.00 C ATOM 1475 OE1 GLU B 46 -0.798 -4.917 9.065 1.00 0.00 O ATOM 1476 OE2 GLU B 46 0.324 -3.408 10.197 1.00 0.00 O ATOM 0 H GLU B 46 2.522 -3.789 5.630 1.00 0.00 H new ATOM 0 HA GLU B 46 1.248 -5.651 7.444 1.00 0.00 H new ATOM 0 HB2 GLU B 46 0.314 -3.345 5.673 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -0.848 -4.405 6.447 1.00 0.00 H new ATOM 0 HG2 GLU B 46 1.240 -2.733 7.896 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -0.449 -2.302 7.711 1.00 0.00 H new ATOM 1483 N PHE B 47 0.957 -5.944 4.167 1.00 0.00 N ATOM 1484 CA PHE B 47 0.531 -6.814 3.075 1.00 0.00 C ATOM 1485 C PHE B 47 1.636 -7.830 2.786 1.00 0.00 C ATOM 1486 O PHE B 47 1.504 -8.980 3.196 1.00 0.00 O ATOM 1487 CB PHE B 47 0.115 -5.989 1.843 1.00 0.00 C ATOM 1488 CG PHE B 47 -1.211 -5.278 2.003 1.00 0.00 C ATOM 1489 CD1 PHE B 47 -1.284 -4.129 2.813 1.00 0.00 C ATOM 1490 CD2 PHE B 47 -2.377 -5.776 1.384 1.00 0.00 C ATOM 1491 CE1 PHE B 47 -2.523 -3.532 3.075 1.00 0.00 C ATOM 1492 CE2 PHE B 47 -3.613 -5.167 1.640 1.00 0.00 C ATOM 1493 CZ PHE B 47 -3.684 -4.063 2.502 1.00 0.00 C ATOM 0 H PHE B 47 1.496 -5.138 3.850 1.00 0.00 H new ATOM 0 HA PHE B 47 -0.359 -7.373 3.363 1.00 0.00 H new ATOM 0 HB2 PHE B 47 0.889 -5.251 1.633 1.00 0.00 H new ATOM 0 HB3 PHE B 47 0.061 -6.649 0.977 1.00 0.00 H new ATOM 0 HD1 PHE B 47 -0.383 -3.707 3.233 1.00 0.00 H new ATOM 0 HD2 PHE B 47 -2.317 -6.623 0.716 1.00 0.00 H new ATOM 0 HE1 PHE B 47 -2.582 -2.665 3.717 1.00 0.00 H new ATOM 0 HE2 PHE B 47 -4.510 -5.547 1.174 1.00 0.00 H new ATOM 0 HZ PHE B 47 -4.643 -3.619 2.725 1.00 0.00 H new ATOM 1503 N SER B 48 2.734 -7.419 2.136 1.00 0.00 N ATOM 1504 CA SER B 48 3.871 -8.291 1.809 1.00 0.00 C ATOM 1505 C SER B 48 4.754 -8.599 3.032 1.00 0.00 C ATOM 1506 O SER B 48 5.890 -9.055 2.867 1.00 0.00 O ATOM 1507 CB SER B 48 4.687 -7.674 0.654 1.00 0.00 C ATOM 1508 OG SER B 48 4.165 -8.107 -0.587 1.00 0.00 O ATOM 0 H SER B 48 2.859 -6.458 1.818 1.00 0.00 H new ATOM 0 HA SER B 48 3.473 -9.252 1.484 1.00 0.00 H new ATOM 0 HB2 SER B 48 4.653 -6.586 0.713 1.00 0.00 H new ATOM 0 HB3 SER B 48 5.734 -7.965 0.740 1.00 0.00 H new ATOM 0 HG SER B 48 4.686 -7.711 -1.317 1.00 0.00 H new ATOM 1514 N GLY B 49 4.294 -8.307 4.248 1.00 0.00 N ATOM 1515 CA GLY B 49 5.009 -8.551 5.487 1.00 0.00 C ATOM 1516 C GLY B 49 4.154 -9.416 6.409 1.00 0.00 C ATOM 1517 O GLY B 49 2.953 -9.574 6.172 1.00 0.00 O ATOM 0 H GLY B 49 3.380 -7.879 4.396 1.00 0.00 H new ATOM 0 HA2 GLY B 49 5.956 -9.049 5.280 1.00 0.00 H new ATOM 0 HA3 GLY B 49 5.245 -7.605 5.975 1.00 0.00 H new ATOM 1521 N PRO B 50 4.759 -9.997 7.451 1.00 0.00 N ATOM 1522 CA PRO B 50 4.051 -10.846 8.392 1.00 0.00 C ATOM 1523 C PRO B 50 3.223 -10.023 9.385 1.00 0.00 C ATOM 1524 O PRO B 50 3.213 -8.793 9.342 1.00 0.00 O ATOM 1525 CB PRO B 50 5.160 -11.629 9.079 1.00 0.00 C ATOM 1526 CG PRO B 50 6.300 -10.614 9.153 1.00 0.00 C ATOM 1527 CD PRO B 50 6.165 -9.880 7.819 1.00 0.00 C ATOM 0 HA PRO B 50 3.325 -11.498 7.907 1.00 0.00 H new ATOM 0 HB2 PRO B 50 4.859 -11.971 10.069 1.00 0.00 H new ATOM 0 HB3 PRO B 50 5.443 -12.514 8.508 1.00 0.00 H new ATOM 0 HG2 PRO B 50 6.190 -9.939 10.002 1.00 0.00 H new ATOM 0 HG3 PRO B 50 7.271 -11.099 9.255 1.00 0.00 H new ATOM 0 HD2 PRO B 50 6.460 -8.835 7.914 1.00 0.00 H new ATOM 0 HD3 PRO B 50 6.808 -10.325 7.059 1.00 0.00 H new ATOM 1535 N SER B 51 2.538 -10.710 10.298 1.00 0.00 N ATOM 1536 CA SER B 51 1.689 -10.136 11.324 1.00 0.00 C ATOM 1537 C SER B 51 2.174 -10.665 12.670 1.00 0.00 C ATOM 1538 O SER B 51 1.975 -11.837 13.010 1.00 0.00 O ATOM 1539 CB SER B 51 0.231 -10.457 10.975 1.00 0.00 C ATOM 1540 OG SER B 51 -0.736 -9.842 11.801 1.00 0.00 O ATOM 0 H SER B 51 2.566 -11.729 10.339 1.00 0.00 H new ATOM 0 HA SER B 51 1.743 -9.049 11.384 1.00 0.00 H new ATOM 0 HB2 SER B 51 0.047 -10.158 9.943 1.00 0.00 H new ATOM 0 HB3 SER B 51 0.092 -11.537 11.023 1.00 0.00 H new ATOM 0 HG SER B 51 -1.633 -10.102 11.504 1.00 0.00 H new ATOM 1546 N SER B 52 2.871 -9.811 13.411 1.00 0.00 N ATOM 1547 CA SER B 52 3.426 -10.077 14.731 1.00 0.00 C ATOM 1548 C SER B 52 2.788 -9.158 15.774 1.00 0.00 C ATOM 1549 O SER B 52 2.723 -9.533 16.944 1.00 0.00 O ATOM 1550 CB SER B 52 4.958 -9.962 14.726 1.00 0.00 C ATOM 1551 OG SER B 52 5.460 -9.199 13.640 1.00 0.00 O ATOM 0 H SER B 52 3.074 -8.865 13.089 1.00 0.00 H new ATOM 0 HA SER B 52 3.188 -11.105 15.004 1.00 0.00 H new ATOM 0 HB2 SER B 52 5.284 -9.508 15.662 1.00 0.00 H new ATOM 0 HB3 SER B 52 5.390 -10.962 14.689 1.00 0.00 H new ATOM 0 HG SER B 52 6.438 -9.160 13.692 1.00 0.00 H new ATOM 1557 N GLY B 53 2.229 -8.020 15.377 1.00 0.00 N ATOM 1558 CA GLY B 53 1.584 -7.054 16.243 1.00 0.00 C ATOM 1559 C GLY B 53 1.681 -5.744 15.515 1.00 0.00 C ATOM 1560 O GLY B 53 0.668 -5.304 14.931 1.00 0.00 O ATOM 0 H GLY B 53 2.215 -7.738 14.397 1.00 0.00 H new ATOM 0 HA2 GLY B 53 0.545 -7.325 16.429 1.00 0.00 H new ATOM 0 HA3 GLY B 53 2.079 -7.003 17.213 1.00 0.00 H new TER 1564 GLY B 53