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 28 LYS NZ :NH3+ 142:sc= 0.0677 (180deg=0) USER MOD Set 1.2: B 51 SER OG : rot -50:sc= 0.129 USER MOD Set 2.1: A 39 MET CE :methyl 174:sc= -0.914 (180deg=-1.03) USER MOD Set 2.2: B 34 HIS : no HD1:sc= -0.0163 K(o=-1.9,f=-2.7) USER MOD Set 2.3: B 39 MET CE :methyl 170:sc= -1.02 (180deg=-1.15) USER MOD Set 3.1: B 23 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: B 27 GLN :FLIP amide:sc= -0.0972 F(o=-0.73,f=-0.097) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 110:sc= 0.0458 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 10 SER OG : rot 180:sc= 0.0356 USER MOD Single : A 11 SER OG : rot 180:sc= 0.0944 USER MOD Single : A 17 MET CE :methyl 180:sc= -0.0989 (180deg=-0.0989) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.106 X(o=-0.11,f=-0.11) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 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= -0.591 X(o=-0.59,f=-0.31) USER MOD Single : A 34 HIS : no HD1:sc= -0.245 X(o=-0.25,f=-0.044) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 36 ASN : amide:sc= -0.114 K(o=-0.11,f=-9.7!) USER MOD Single : A 41 LYS NZ :NH3+ -141:sc= 1.22 (180deg=0.403) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 48 SER OG : rot 180:sc= 0 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+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= 0 USER MOD Single : B 3 SER OG : rot 180:sc= 0.0526 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) USER MOD Single : B 10 SER OG : rot 180:sc= 0.0743 USER MOD Single : B 11 SER OG : rot -91:sc= 0.109 USER MOD Single : B 17 MET CE :methyl -170:sc= -0.0571 (180deg=-0.23) USER MOD Single : B 18 SER OG : rot 180:sc= 0 USER MOD Single : B 19 GLN : amide:sc= -0.0612 X(o=-0.061,f=-0.061) USER MOD Single : B 21 TYR OH : rot 180:sc= -0.0219 USER MOD Single : B 22 SER OG : rot 180:sc= 0 USER MOD Single : B 24 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 35 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : B 36 ASN : amide:sc= -0.354 K(o=-0.35,f=-7.7!) USER MOD Single : B 41 LYS NZ :NH3+ -150:sc= 1.25 (180deg=0.274) USER MOD Single : B 42 ASN : amide:sc= -0.0084 K(o=-0.0084,f=-0.95) USER MOD Single : B 48 SER OG : rot 180:sc= 0 USER MOD Single : B 52 SER OG : rot 18:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.388 7.966 -12.004 1.00 0.00 N ATOM 2 CA GLY A 1 -12.817 8.035 -12.316 1.00 0.00 C ATOM 3 C GLY A 1 -13.557 8.605 -11.127 1.00 0.00 C ATOM 4 O GLY A 1 -13.858 7.858 -10.197 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.873 7.574 -12.819 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.032 8.921 -11.796 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.243 7.354 -11.176 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.980 8.659 -13.195 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.198 7.042 -12.555 1.00 0.00 H new ATOM 8 N SER A 2 -13.852 9.907 -11.168 1.00 0.00 N ATOM 9 CA SER A 2 -14.549 10.649 -10.123 1.00 0.00 C ATOM 10 C SER A 2 -15.816 9.911 -9.673 1.00 0.00 C ATOM 11 O SER A 2 -16.552 9.378 -10.508 1.00 0.00 O ATOM 12 CB SER A 2 -14.867 12.036 -10.682 1.00 0.00 C ATOM 13 OG SER A 2 -15.155 12.957 -9.655 1.00 0.00 O ATOM 0 H SER A 2 -13.600 10.493 -11.964 1.00 0.00 H new ATOM 0 HA SER A 2 -13.923 10.742 -9.236 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.021 12.396 -11.267 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.718 11.969 -11.360 1.00 0.00 H new ATOM 0 HG SER A 2 -15.352 13.833 -10.047 1.00 0.00 H new ATOM 19 N SER A 3 -16.078 9.886 -8.364 1.00 0.00 N ATOM 20 CA SER A 3 -17.237 9.209 -7.812 1.00 0.00 C ATOM 21 C SER A 3 -18.539 9.941 -8.158 1.00 0.00 C ATOM 22 O SER A 3 -19.432 9.337 -8.767 1.00 0.00 O ATOM 23 CB SER A 3 -17.033 8.979 -6.316 1.00 0.00 C ATOM 24 OG SER A 3 -16.693 10.158 -5.614 1.00 0.00 O ATOM 0 H SER A 3 -15.489 10.336 -7.664 1.00 0.00 H new ATOM 0 HA SER A 3 -17.340 8.227 -8.274 1.00 0.00 H new ATOM 0 HB2 SER A 3 -17.946 8.561 -5.891 1.00 0.00 H new ATOM 0 HB3 SER A 3 -16.246 8.238 -6.172 1.00 0.00 H new ATOM 0 HG SER A 3 -17.446 10.431 -5.049 1.00 0.00 H new ATOM 30 N GLY A 4 -18.636 11.236 -7.842 1.00 0.00 N ATOM 31 CA GLY A 4 -19.803 12.071 -8.115 1.00 0.00 C ATOM 32 C GLY A 4 -20.211 12.910 -6.914 1.00 0.00 C ATOM 33 O GLY A 4 -20.454 14.111 -7.045 1.00 0.00 O ATOM 0 H GLY A 4 -17.883 11.743 -7.377 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -19.587 12.728 -8.957 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -20.638 11.437 -8.412 1.00 0.00 H new ATOM 37 N SER A 5 -20.263 12.285 -5.745 1.00 0.00 N ATOM 38 CA SER A 5 -20.631 12.895 -4.478 1.00 0.00 C ATOM 39 C SER A 5 -19.637 12.463 -3.397 1.00 0.00 C ATOM 40 O SER A 5 -18.816 11.562 -3.610 1.00 0.00 O ATOM 41 CB SER A 5 -22.073 12.490 -4.121 1.00 0.00 C ATOM 42 OG SER A 5 -22.969 12.811 -5.169 1.00 0.00 O ATOM 0 H SER A 5 -20.039 11.294 -5.652 1.00 0.00 H new ATOM 0 HA SER A 5 -20.593 13.982 -4.553 1.00 0.00 H new ATOM 0 HB2 SER A 5 -22.114 11.420 -3.919 1.00 0.00 H new ATOM 0 HB3 SER A 5 -22.381 12.998 -3.207 1.00 0.00 H new ATOM 0 HG SER A 5 -23.877 12.542 -4.917 1.00 0.00 H new ATOM 48 N SER A 6 -19.726 13.104 -2.237 1.00 0.00 N ATOM 49 CA SER A 6 -18.909 12.879 -1.058 1.00 0.00 C ATOM 50 C SER A 6 -19.788 13.034 0.180 1.00 0.00 C ATOM 51 O SER A 6 -20.910 13.550 0.093 1.00 0.00 O ATOM 52 CB SER A 6 -17.716 13.847 -1.068 1.00 0.00 C ATOM 53 OG SER A 6 -18.057 15.171 -1.466 1.00 0.00 O ATOM 0 H SER A 6 -20.416 13.841 -2.089 1.00 0.00 H new ATOM 0 HA SER A 6 -18.497 11.870 -1.050 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.277 13.879 -0.071 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.951 13.460 -1.741 1.00 0.00 H new ATOM 0 HG SER A 6 -17.255 15.734 -1.449 1.00 0.00 H new ATOM 59 N GLY A 7 -19.309 12.590 1.338 1.00 0.00 N ATOM 60 CA GLY A 7 -20.019 12.651 2.608 1.00 0.00 C ATOM 61 C GLY A 7 -19.662 11.466 3.503 1.00 0.00 C ATOM 62 O GLY A 7 -19.807 11.569 4.728 1.00 0.00 O ATOM 0 H GLY A 7 -18.386 12.164 1.419 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -19.774 13.582 3.119 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -21.094 12.661 2.426 1.00 0.00 H new ATOM 66 N GLN A 8 -19.217 10.352 2.921 1.00 0.00 N ATOM 67 CA GLN A 8 -18.793 9.147 3.606 1.00 0.00 C ATOM 68 C GLN A 8 -17.664 8.492 2.805 1.00 0.00 C ATOM 69 O GLN A 8 -17.361 8.871 1.671 1.00 0.00 O ATOM 70 CB GLN A 8 -19.959 8.154 3.822 1.00 0.00 C ATOM 71 CG GLN A 8 -20.739 8.433 5.119 1.00 0.00 C ATOM 72 CD GLN A 8 -21.105 7.173 5.901 1.00 0.00 C ATOM 73 OE1 GLN A 8 -21.340 6.109 5.341 1.00 0.00 O ATOM 74 NE2 GLN A 8 -21.138 7.251 7.221 1.00 0.00 N ATOM 0 H GLN A 8 -19.142 10.269 1.907 1.00 0.00 H new ATOM 0 HA GLN A 8 -18.435 9.423 4.598 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -20.641 8.209 2.973 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -19.566 7.138 3.850 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -20.143 9.085 5.757 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -21.652 8.975 4.873 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -20.942 8.138 7.685 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -21.360 6.424 7.775 1.00 0.00 H new ATOM 83 N LEU A 9 -17.042 7.500 3.438 1.00 0.00 N ATOM 84 CA LEU A 9 -15.964 6.671 2.914 1.00 0.00 C ATOM 85 C LEU A 9 -16.324 5.205 3.142 1.00 0.00 C ATOM 86 O LEU A 9 -15.843 4.327 2.430 1.00 0.00 O ATOM 87 CB LEU A 9 -14.620 7.019 3.573 1.00 0.00 C ATOM 88 CG LEU A 9 -13.455 6.909 2.576 1.00 0.00 C ATOM 89 CD1 LEU A 9 -13.501 8.076 1.585 1.00 0.00 C ATOM 90 CD2 LEU A 9 -12.132 6.944 3.342 1.00 0.00 C ATOM 0 H LEU A 9 -17.295 7.239 4.391 1.00 0.00 H new ATOM 0 HA LEU A 9 -15.849 6.859 1.846 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -14.662 8.032 3.974 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -14.443 6.350 4.415 1.00 0.00 H new ATOM 0 HG LEU A 9 -13.540 5.972 2.026 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -12.672 7.990 0.883 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -14.444 8.052 1.038 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -13.420 9.018 2.128 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -11.302 6.866 2.639 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -12.055 7.882 3.892 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -12.094 6.109 4.041 1.00 0.00 H new ATOM 102 N SER A 10 -17.196 4.932 4.121 1.00 0.00 N ATOM 103 CA SER A 10 -17.682 3.607 4.464 1.00 0.00 C ATOM 104 C SER A 10 -18.338 2.987 3.229 1.00 0.00 C ATOM 105 O SER A 10 -18.252 1.784 3.015 1.00 0.00 O ATOM 106 CB SER A 10 -18.646 3.739 5.650 1.00 0.00 C ATOM 107 OG SER A 10 -18.089 4.628 6.616 1.00 0.00 O ATOM 0 H SER A 10 -17.592 5.662 4.713 1.00 0.00 H new ATOM 0 HA SER A 10 -16.873 2.943 4.767 1.00 0.00 H new ATOM 0 HB2 SER A 10 -19.611 4.114 5.309 1.00 0.00 H new ATOM 0 HB3 SER A 10 -18.824 2.762 6.099 1.00 0.00 H new ATOM 0 HG SER A 10 -18.704 4.715 7.374 1.00 0.00 H new ATOM 113 N SER A 11 -18.923 3.826 2.377 1.00 0.00 N ATOM 114 CA SER A 11 -19.579 3.502 1.128 1.00 0.00 C ATOM 115 C SER A 11 -18.635 2.759 0.172 1.00 0.00 C ATOM 116 O SER A 11 -19.101 2.056 -0.725 1.00 0.00 O ATOM 117 CB SER A 11 -20.066 4.833 0.530 1.00 0.00 C ATOM 118 OG SER A 11 -19.136 5.884 0.787 1.00 0.00 O ATOM 0 H SER A 11 -18.948 4.828 2.564 1.00 0.00 H new ATOM 0 HA SER A 11 -20.418 2.826 1.294 1.00 0.00 H new ATOM 0 HB2 SER A 11 -20.206 4.722 -0.545 1.00 0.00 H new ATOM 0 HB3 SER A 11 -21.037 5.091 0.953 1.00 0.00 H new ATOM 0 HG SER A 11 -19.469 6.718 0.395 1.00 0.00 H new ATOM 124 N GLU A 12 -17.319 2.877 0.359 1.00 0.00 N ATOM 125 CA GLU A 12 -16.300 2.228 -0.450 1.00 0.00 C ATOM 126 C GLU A 12 -15.719 1.019 0.276 1.00 0.00 C ATOM 127 O GLU A 12 -15.304 0.069 -0.390 1.00 0.00 O ATOM 128 CB GLU A 12 -15.213 3.245 -0.800 1.00 0.00 C ATOM 129 CG GLU A 12 -15.754 4.363 -1.698 1.00 0.00 C ATOM 130 CD GLU A 12 -16.399 3.786 -2.957 1.00 0.00 C ATOM 131 OE1 GLU A 12 -15.743 2.969 -3.647 1.00 0.00 O ATOM 132 OE2 GLU A 12 -17.543 4.174 -3.277 1.00 0.00 O ATOM 0 H GLU A 12 -16.925 3.449 1.106 1.00 0.00 H new ATOM 0 HA GLU A 12 -16.749 1.862 -1.373 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -14.809 3.677 0.116 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -14.389 2.739 -1.304 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -16.486 4.955 -1.148 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -14.943 5.036 -1.976 1.00 0.00 H new ATOM 139 N ILE A 13 -15.693 1.040 1.614 1.00 0.00 N ATOM 140 CA ILE A 13 -15.203 -0.064 2.442 1.00 0.00 C ATOM 141 C ILE A 13 -16.126 -1.251 2.117 1.00 0.00 C ATOM 142 O ILE A 13 -15.663 -2.363 1.873 1.00 0.00 O ATOM 143 CB ILE A 13 -15.202 0.342 3.946 1.00 0.00 C ATOM 144 CG1 ILE A 13 -14.276 1.564 4.168 1.00 0.00 C ATOM 145 CG2 ILE A 13 -14.778 -0.798 4.898 1.00 0.00 C ATOM 146 CD1 ILE A 13 -14.261 2.107 5.603 1.00 0.00 C ATOM 0 H ILE A 13 -16.018 1.839 2.159 1.00 0.00 H new ATOM 0 HA ILE A 13 -14.168 -0.333 2.233 1.00 0.00 H new ATOM 0 HB ILE A 13 -16.235 0.591 4.190 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -13.259 1.287 3.888 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -14.585 2.364 3.495 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -14.802 -0.440 5.927 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -15.465 -1.637 4.790 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -13.767 -1.122 4.650 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -13.586 2.961 5.662 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -15.267 2.420 5.884 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -13.920 1.327 6.284 1.00 0.00 H new ATOM 158 N GLU A 14 -17.432 -0.986 2.023 1.00 0.00 N ATOM 159 CA GLU A 14 -18.464 -1.963 1.707 1.00 0.00 C ATOM 160 C GLU A 14 -18.218 -2.584 0.330 1.00 0.00 C ATOM 161 O GLU A 14 -18.482 -3.771 0.136 1.00 0.00 O ATOM 162 CB GLU A 14 -19.829 -1.252 1.694 1.00 0.00 C ATOM 163 CG GLU A 14 -20.274 -0.741 3.071 1.00 0.00 C ATOM 164 CD GLU A 14 -20.746 -1.823 4.036 1.00 0.00 C ATOM 165 OE1 GLU A 14 -21.572 -2.673 3.642 1.00 0.00 O ATOM 166 OE2 GLU A 14 -20.414 -1.713 5.238 1.00 0.00 O ATOM 0 H GLU A 14 -17.808 -0.049 2.171 1.00 0.00 H new ATOM 0 HA GLU A 14 -18.445 -2.753 2.458 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -19.784 -0.411 1.002 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -20.583 -1.940 1.311 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -19.443 -0.204 3.529 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -21.081 -0.022 2.932 1.00 0.00 H new ATOM 173 N ARG A 15 -17.746 -1.802 -0.653 1.00 0.00 N ATOM 174 CA ARG A 15 -17.507 -2.345 -1.994 1.00 0.00 C ATOM 175 C ARG A 15 -16.252 -3.199 -2.003 1.00 0.00 C ATOM 176 O ARG A 15 -16.183 -4.189 -2.728 1.00 0.00 O ATOM 177 CB ARG A 15 -17.436 -1.233 -3.049 1.00 0.00 C ATOM 178 CG ARG A 15 -18.791 -0.528 -3.200 1.00 0.00 C ATOM 179 CD ARG A 15 -18.849 0.335 -4.466 1.00 0.00 C ATOM 180 NE ARG A 15 -20.027 1.215 -4.469 1.00 0.00 N ATOM 181 CZ ARG A 15 -21.311 0.892 -4.665 1.00 0.00 C ATOM 182 NH1 ARG A 15 -21.688 -0.345 -4.977 1.00 0.00 N ATOM 183 NH2 ARG A 15 -22.217 1.849 -4.558 1.00 0.00 N ATOM 0 H ARG A 15 -17.527 -0.812 -0.547 1.00 0.00 H new ATOM 0 HA ARG A 15 -18.353 -2.980 -2.257 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -16.674 -0.507 -2.766 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -17.133 -1.655 -4.007 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -19.586 -1.273 -3.232 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -18.974 0.097 -2.326 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -17.944 0.938 -4.538 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -18.873 -0.309 -5.345 1.00 0.00 H new ATOM 0 HE ARG A 15 -19.841 2.203 -4.299 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -20.989 -1.082 -5.074 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -22.676 -0.557 -5.120 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -21.929 2.801 -4.332 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -23.204 1.635 -4.702 1.00 0.00 H new ATOM 197 N LEU A 16 -15.254 -2.837 -1.199 1.00 0.00 N ATOM 198 CA LEU A 16 -14.015 -3.593 -1.134 1.00 0.00 C ATOM 199 C LEU A 16 -14.254 -4.968 -0.519 1.00 0.00 C ATOM 200 O LEU A 16 -13.591 -5.921 -0.928 1.00 0.00 O ATOM 201 CB LEU A 16 -12.929 -2.770 -0.433 1.00 0.00 C ATOM 202 CG LEU A 16 -12.463 -1.592 -1.311 1.00 0.00 C ATOM 203 CD1 LEU A 16 -11.669 -0.594 -0.464 1.00 0.00 C ATOM 204 CD2 LEU A 16 -11.642 -2.058 -2.524 1.00 0.00 C ATOM 0 H LEU A 16 -15.284 -2.023 -0.585 1.00 0.00 H new ATOM 0 HA LEU A 16 -13.644 -3.785 -2.141 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -13.312 -2.391 0.514 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -12.079 -3.411 -0.199 1.00 0.00 H new ATOM 0 HG LEU A 16 -13.352 -1.100 -1.706 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -11.343 0.236 -1.090 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -12.301 -0.216 0.340 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -10.798 -1.091 -0.037 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -11.337 -1.192 -3.111 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -10.757 -2.593 -2.180 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -12.249 -2.720 -3.142 1.00 0.00 H new ATOM 216 N MET A 17 -15.226 -5.102 0.389 1.00 0.00 N ATOM 217 CA MET A 17 -15.549 -6.394 0.989 1.00 0.00 C ATOM 218 C MET A 17 -15.994 -7.348 -0.126 1.00 0.00 C ATOM 219 O MET A 17 -15.588 -8.509 -0.142 1.00 0.00 O ATOM 220 CB MET A 17 -16.674 -6.247 2.020 1.00 0.00 C ATOM 221 CG MET A 17 -16.219 -5.545 3.298 1.00 0.00 C ATOM 222 SD MET A 17 -17.574 -5.327 4.479 1.00 0.00 S ATOM 223 CE MET A 17 -16.631 -4.761 5.910 1.00 0.00 C ATOM 0 H MET A 17 -15.801 -4.329 0.723 1.00 0.00 H new ATOM 0 HA MET A 17 -14.669 -6.787 1.499 1.00 0.00 H new ATOM 0 HB2 MET A 17 -17.496 -5.686 1.576 1.00 0.00 H new ATOM 0 HB3 MET A 17 -17.061 -7.234 2.272 1.00 0.00 H new ATOM 0 HG2 MET A 17 -15.422 -6.124 3.765 1.00 0.00 H new ATOM 0 HG3 MET A 17 -15.799 -4.571 3.046 1.00 0.00 H new ATOM 0 HE1 MET A 17 -17.310 -4.575 6.742 1.00 0.00 H new ATOM 0 HE2 MET A 17 -15.908 -5.525 6.195 1.00 0.00 H new ATOM 0 HE3 MET A 17 -16.105 -3.840 5.658 1.00 0.00 H new ATOM 233 N SER A 18 -16.782 -6.846 -1.085 1.00 0.00 N ATOM 234 CA SER A 18 -17.296 -7.591 -2.226 1.00 0.00 C ATOM 235 C SER A 18 -16.139 -8.189 -3.038 1.00 0.00 C ATOM 236 O SER A 18 -16.190 -9.359 -3.429 1.00 0.00 O ATOM 237 CB SER A 18 -18.141 -6.632 -3.078 1.00 0.00 C ATOM 238 OG SER A 18 -19.055 -7.305 -3.923 1.00 0.00 O ATOM 0 H SER A 18 -17.087 -5.873 -1.081 1.00 0.00 H new ATOM 0 HA SER A 18 -17.916 -8.422 -1.891 1.00 0.00 H new ATOM 0 HB2 SER A 18 -18.690 -5.958 -2.420 1.00 0.00 H new ATOM 0 HB3 SER A 18 -17.479 -6.015 -3.686 1.00 0.00 H new ATOM 0 HG SER A 18 -19.567 -6.648 -4.440 1.00 0.00 H new ATOM 244 N GLN A 19 -15.084 -7.400 -3.277 1.00 0.00 N ATOM 245 CA GLN A 19 -13.911 -7.833 -4.030 1.00 0.00 C ATOM 246 C GLN A 19 -13.164 -8.977 -3.337 1.00 0.00 C ATOM 247 O GLN A 19 -12.422 -9.691 -4.010 1.00 0.00 O ATOM 248 CB GLN A 19 -12.948 -6.654 -4.253 1.00 0.00 C ATOM 249 CG GLN A 19 -13.529 -5.513 -5.099 1.00 0.00 C ATOM 250 CD GLN A 19 -14.005 -5.979 -6.472 1.00 0.00 C ATOM 251 OE1 GLN A 19 -15.139 -5.708 -6.861 1.00 0.00 O ATOM 252 NE2 GLN A 19 -13.164 -6.651 -7.243 1.00 0.00 N ATOM 0 H GLN A 19 -15.025 -6.436 -2.948 1.00 0.00 H new ATOM 0 HA GLN A 19 -14.272 -8.202 -4.990 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -12.650 -6.256 -3.283 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -12.044 -7.025 -4.737 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -14.364 -5.059 -4.565 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -12.772 -4.739 -5.225 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -12.226 -6.868 -6.906 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -13.454 -6.951 -8.174 1.00 0.00 H new ATOM 261 N GLY A 20 -13.367 -9.179 -2.033 1.00 0.00 N ATOM 262 CA GLY A 20 -12.729 -10.231 -1.256 1.00 0.00 C ATOM 263 C GLY A 20 -11.668 -9.704 -0.305 1.00 0.00 C ATOM 264 O GLY A 20 -11.007 -10.515 0.337 1.00 0.00 O ATOM 0 H GLY A 20 -13.996 -8.598 -1.479 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -13.488 -10.765 -0.685 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -12.275 -10.953 -1.935 1.00 0.00 H new ATOM 268 N TYR A 21 -11.450 -8.389 -0.233 1.00 0.00 N ATOM 269 CA TYR A 21 -10.467 -7.800 0.666 1.00 0.00 C ATOM 270 C TYR A 21 -11.075 -7.850 2.073 1.00 0.00 C ATOM 271 O TYR A 21 -12.244 -7.495 2.246 1.00 0.00 O ATOM 272 CB TYR A 21 -10.162 -6.368 0.214 1.00 0.00 C ATOM 273 CG TYR A 21 -9.754 -6.222 -1.250 1.00 0.00 C ATOM 274 CD1 TYR A 21 -8.693 -6.973 -1.790 1.00 0.00 C ATOM 275 CD2 TYR A 21 -10.432 -5.312 -2.079 1.00 0.00 C ATOM 276 CE1 TYR A 21 -8.277 -6.776 -3.122 1.00 0.00 C ATOM 277 CE2 TYR A 21 -10.024 -5.100 -3.406 1.00 0.00 C ATOM 278 CZ TYR A 21 -8.932 -5.820 -3.929 1.00 0.00 C ATOM 279 OH TYR A 21 -8.489 -5.540 -5.185 1.00 0.00 O ATOM 0 H TYR A 21 -11.953 -7.706 -0.799 1.00 0.00 H new ATOM 0 HA TYR A 21 -9.520 -8.340 0.660 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -11.044 -5.752 0.392 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -9.363 -5.969 0.839 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -8.192 -7.708 -1.177 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -11.280 -4.767 -1.690 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -7.459 -7.355 -3.525 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -10.547 -4.386 -4.025 1.00 0.00 H new ATOM 0 HH TYR A 21 -9.064 -4.858 -5.590 1.00 0.00 H new ATOM 289 N SER A 22 -10.331 -8.332 3.073 1.00 0.00 N ATOM 290 CA SER A 22 -10.853 -8.423 4.430 1.00 0.00 C ATOM 291 C SER A 22 -11.031 -7.035 5.033 1.00 0.00 C ATOM 292 O SER A 22 -10.401 -6.064 4.604 1.00 0.00 O ATOM 293 CB SER A 22 -9.884 -9.233 5.299 1.00 0.00 C ATOM 294 OG SER A 22 -10.515 -9.674 6.481 1.00 0.00 O ATOM 0 H SER A 22 -9.372 -8.662 2.965 1.00 0.00 H new ATOM 0 HA SER A 22 -11.824 -8.918 4.395 1.00 0.00 H new ATOM 0 HB2 SER A 22 -9.516 -10.091 4.737 1.00 0.00 H new ATOM 0 HB3 SER A 22 -9.018 -8.622 5.551 1.00 0.00 H new ATOM 0 HG SER A 22 -9.878 -10.190 7.019 1.00 0.00 H new ATOM 300 N TYR A 23 -11.845 -6.952 6.090 1.00 0.00 N ATOM 301 CA TYR A 23 -12.092 -5.705 6.794 1.00 0.00 C ATOM 302 C TYR A 23 -10.751 -5.126 7.257 1.00 0.00 C ATOM 303 O TYR A 23 -10.521 -3.926 7.101 1.00 0.00 O ATOM 304 CB TYR A 23 -13.043 -5.955 7.970 1.00 0.00 C ATOM 305 CG TYR A 23 -13.282 -4.725 8.823 1.00 0.00 C ATOM 306 CD1 TYR A 23 -14.194 -3.746 8.393 1.00 0.00 C ATOM 307 CD2 TYR A 23 -12.565 -4.531 10.019 1.00 0.00 C ATOM 308 CE1 TYR A 23 -14.381 -2.571 9.136 1.00 0.00 C ATOM 309 CE2 TYR A 23 -12.753 -3.360 10.773 1.00 0.00 C ATOM 310 CZ TYR A 23 -13.666 -2.374 10.341 1.00 0.00 C ATOM 311 OH TYR A 23 -13.838 -1.245 11.078 1.00 0.00 O ATOM 0 H TYR A 23 -12.348 -7.751 6.476 1.00 0.00 H new ATOM 0 HA TYR A 23 -12.570 -4.980 6.135 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -13.998 -6.313 7.585 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -12.634 -6.748 8.596 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -14.755 -3.900 7.483 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -11.869 -5.284 10.358 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -15.071 -1.816 8.788 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -12.196 -3.214 11.687 1.00 0.00 H new ATOM 0 HH TYR A 23 -13.266 -1.283 11.873 1.00 0.00 H new ATOM 321 N GLN A 24 -9.863 -5.973 7.796 1.00 0.00 N ATOM 322 CA GLN A 24 -8.546 -5.560 8.265 1.00 0.00 C ATOM 323 C GLN A 24 -7.719 -4.991 7.113 1.00 0.00 C ATOM 324 O GLN A 24 -7.146 -3.920 7.261 1.00 0.00 O ATOM 325 CB GLN A 24 -7.780 -6.742 8.879 1.00 0.00 C ATOM 326 CG GLN A 24 -8.348 -7.240 10.212 1.00 0.00 C ATOM 327 CD GLN A 24 -7.369 -8.223 10.854 1.00 0.00 C ATOM 328 OE1 GLN A 24 -7.040 -9.246 10.264 1.00 0.00 O ATOM 329 NE2 GLN A 24 -6.846 -7.925 12.029 1.00 0.00 N ATOM 0 H GLN A 24 -10.046 -6.969 7.917 1.00 0.00 H new ATOM 0 HA GLN A 24 -8.699 -4.795 9.026 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -7.779 -7.568 8.167 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -6.741 -6.448 9.028 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -8.524 -6.398 10.881 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -9.311 -7.724 10.050 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -7.127 -7.071 12.511 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -6.161 -8.549 12.455 1.00 0.00 H new ATOM 338 N ASP A 25 -7.668 -5.686 5.974 1.00 0.00 N ATOM 339 CA ASP A 25 -6.904 -5.274 4.792 1.00 0.00 C ATOM 340 C ASP A 25 -7.339 -3.886 4.339 1.00 0.00 C ATOM 341 O ASP A 25 -6.512 -3.008 4.094 1.00 0.00 O ATOM 342 CB ASP A 25 -7.066 -6.270 3.630 1.00 0.00 C ATOM 343 CG ASP A 25 -6.618 -7.681 3.990 1.00 0.00 C ATOM 344 OD1 ASP A 25 -5.506 -7.827 4.546 1.00 0.00 O ATOM 345 OD2 ASP A 25 -7.415 -8.621 3.784 1.00 0.00 O ATOM 0 H ASP A 25 -8.165 -6.567 5.844 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.852 -5.254 5.076 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -8.111 -6.294 3.322 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -6.489 -5.919 2.774 1.00 0.00 H new ATOM 350 N ILE A 26 -8.652 -3.665 4.251 1.00 0.00 N ATOM 351 CA ILE A 26 -9.212 -2.388 3.835 1.00 0.00 C ATOM 352 C ILE A 26 -8.708 -1.285 4.775 1.00 0.00 C ATOM 353 O ILE A 26 -8.204 -0.265 4.291 1.00 0.00 O ATOM 354 CB ILE A 26 -10.749 -2.481 3.760 1.00 0.00 C ATOM 355 CG1 ILE A 26 -11.222 -3.516 2.718 1.00 0.00 C ATOM 356 CG2 ILE A 26 -11.337 -1.104 3.410 1.00 0.00 C ATOM 357 CD1 ILE A 26 -12.662 -3.986 2.978 1.00 0.00 C ATOM 0 H ILE A 26 -9.355 -4.372 4.468 1.00 0.00 H new ATOM 0 HA ILE A 26 -8.877 -2.129 2.831 1.00 0.00 H new ATOM 0 HB ILE A 26 -11.102 -2.807 4.738 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -11.158 -3.080 1.721 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -10.553 -4.376 2.733 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -12.423 -1.175 3.358 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -11.057 -0.383 4.178 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -10.948 -0.777 2.446 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -12.950 -4.713 2.219 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -12.722 -4.447 3.964 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -13.337 -3.131 2.936 1.00 0.00 H new ATOM 369 N GLN A 27 -8.837 -1.486 6.093 1.00 0.00 N ATOM 370 CA GLN A 27 -8.385 -0.522 7.090 1.00 0.00 C ATOM 371 C GLN A 27 -6.880 -0.295 6.973 1.00 0.00 C ATOM 372 O GLN A 27 -6.475 0.846 6.786 1.00 0.00 O ATOM 373 CB GLN A 27 -8.756 -0.951 8.521 1.00 0.00 C ATOM 374 CG GLN A 27 -10.266 -0.941 8.783 1.00 0.00 C ATOM 375 CD GLN A 27 -10.911 0.413 8.512 1.00 0.00 C ATOM 376 OE1 GLN A 27 -10.691 1.385 9.230 1.00 0.00 O ATOM 377 NE2 GLN A 27 -11.736 0.517 7.489 1.00 0.00 N ATOM 0 H GLN A 27 -9.259 -2.324 6.493 1.00 0.00 H new ATOM 0 HA GLN A 27 -8.901 0.417 6.889 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -8.369 -1.953 8.705 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -8.266 -0.285 9.231 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -10.742 -1.695 8.157 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -10.451 -1.224 9.819 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -11.916 -0.292 6.895 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -12.194 1.407 7.292 1.00 0.00 H new ATOM 386 N LYS A 28 -6.047 -1.340 7.042 1.00 0.00 N ATOM 387 CA LYS A 28 -4.586 -1.233 6.947 1.00 0.00 C ATOM 388 C LYS A 28 -4.175 -0.368 5.755 1.00 0.00 C ATOM 389 O LYS A 28 -3.251 0.430 5.876 1.00 0.00 O ATOM 390 CB LYS A 28 -3.944 -2.633 6.845 1.00 0.00 C ATOM 391 CG LYS A 28 -3.991 -3.449 8.152 1.00 0.00 C ATOM 392 CD LYS A 28 -3.647 -4.925 7.892 1.00 0.00 C ATOM 393 CE LYS A 28 -3.889 -5.821 9.116 1.00 0.00 C ATOM 394 NZ LYS A 28 -2.748 -5.892 10.049 1.00 0.00 N ATOM 0 H LYS A 28 -6.374 -2.298 7.167 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.225 -0.751 7.856 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.450 -3.196 6.061 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.904 -2.522 6.537 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.289 -3.030 8.872 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.984 -3.376 8.595 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.245 -5.290 7.057 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.602 -5.002 7.593 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.762 -5.453 9.655 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.127 -6.828 8.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.100 -5.912 11.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.199 -6.755 9.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.140 -5.059 9.917 1.00 0.00 H new ATOM 408 N ALA A 29 -4.834 -0.511 4.604 1.00 0.00 N ATOM 409 CA ALA A 29 -4.491 0.279 3.427 1.00 0.00 C ATOM 410 C ALA A 29 -4.870 1.739 3.662 1.00 0.00 C ATOM 411 O ALA A 29 -4.067 2.615 3.361 1.00 0.00 O ATOM 412 CB ALA A 29 -5.174 -0.276 2.171 1.00 0.00 C ATOM 0 H ALA A 29 -5.605 -1.164 4.465 1.00 0.00 H new ATOM 0 HA ALA A 29 -3.415 0.218 3.263 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.900 0.332 1.309 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -4.852 -1.304 2.006 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -6.256 -0.251 2.304 1.00 0.00 H new ATOM 418 N LEU A 30 -6.071 2.020 4.182 1.00 0.00 N ATOM 419 CA LEU A 30 -6.521 3.386 4.458 1.00 0.00 C ATOM 420 C LEU A 30 -5.556 4.085 5.414 1.00 0.00 C ATOM 421 O LEU A 30 -5.175 5.224 5.157 1.00 0.00 O ATOM 422 CB LEU A 30 -7.943 3.399 5.053 1.00 0.00 C ATOM 423 CG LEU A 30 -9.062 3.280 4.003 1.00 0.00 C ATOM 424 CD1 LEU A 30 -10.392 2.950 4.691 1.00 0.00 C ATOM 425 CD2 LEU A 30 -9.220 4.588 3.211 1.00 0.00 C ATOM 0 H LEU A 30 -6.757 1.305 4.423 1.00 0.00 H new ATOM 0 HA LEU A 30 -6.540 3.924 3.510 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -8.036 2.577 5.763 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.082 4.323 5.614 1.00 0.00 H new ATOM 0 HG LEU A 30 -8.790 2.481 3.313 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -11.179 2.867 3.941 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -10.300 2.005 5.226 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -10.644 3.743 5.395 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -10.017 4.475 2.477 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -9.469 5.400 3.895 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -8.286 4.819 2.699 1.00 0.00 H new ATOM 437 N VAL A 31 -5.144 3.413 6.488 1.00 0.00 N ATOM 438 CA VAL A 31 -4.233 3.940 7.500 1.00 0.00 C ATOM 439 C VAL A 31 -2.922 4.416 6.871 1.00 0.00 C ATOM 440 O VAL A 31 -2.452 5.527 7.137 1.00 0.00 O ATOM 441 CB VAL A 31 -3.987 2.845 8.563 1.00 0.00 C ATOM 442 CG1 VAL A 31 -2.941 3.253 9.608 1.00 0.00 C ATOM 443 CG2 VAL A 31 -5.269 2.472 9.320 1.00 0.00 C ATOM 0 H VAL A 31 -5.445 2.458 6.683 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.683 4.810 7.978 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.622 1.990 7.994 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.811 2.445 10.327 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.991 3.454 9.113 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.277 4.151 10.128 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.045 1.699 10.056 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.661 3.353 9.827 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.012 2.098 8.615 1.00 0.00 H new ATOM 453 N ILE A 32 -2.324 3.577 6.032 1.00 0.00 N ATOM 454 CA ILE A 32 -1.061 3.865 5.375 1.00 0.00 C ATOM 455 C ILE A 32 -1.255 4.884 4.242 1.00 0.00 C ATOM 456 O ILE A 32 -0.380 5.718 4.015 1.00 0.00 O ATOM 457 CB ILE A 32 -0.434 2.529 4.933 1.00 0.00 C ATOM 458 CG1 ILE A 32 -0.312 1.507 6.096 1.00 0.00 C ATOM 459 CG2 ILE A 32 0.978 2.780 4.412 1.00 0.00 C ATOM 460 CD1 ILE A 32 -0.135 0.072 5.596 1.00 0.00 C ATOM 0 H ILE A 32 -2.711 2.666 5.788 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.359 4.344 6.057 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.092 2.117 4.168 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.536 1.777 6.725 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.203 1.564 6.721 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.423 1.836 4.099 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.936 3.461 3.562 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.584 3.223 5.202 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.055 -0.603 6.448 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.995 -0.211 4.989 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.771 0.006 4.994 1.00 0.00 H new ATOM 472 N ALA A 33 -2.407 4.887 3.567 1.00 0.00 N ATOM 473 CA ALA A 33 -2.717 5.809 2.483 1.00 0.00 C ATOM 474 C ALA A 33 -3.140 7.188 3.006 1.00 0.00 C ATOM 475 O ALA A 33 -3.478 8.070 2.215 1.00 0.00 O ATOM 476 CB ALA A 33 -3.804 5.194 1.605 1.00 0.00 C ATOM 0 H ALA A 33 -3.163 4.233 3.767 1.00 0.00 H new ATOM 0 HA ALA A 33 -1.816 5.968 1.890 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -4.043 5.877 0.790 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.448 4.249 1.194 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -4.698 5.016 2.203 1.00 0.00 H new ATOM 482 N HIS A 34 -3.118 7.387 4.325 1.00 0.00 N ATOM 483 CA HIS A 34 -3.507 8.617 5.014 1.00 0.00 C ATOM 484 C HIS A 34 -4.969 8.941 4.686 1.00 0.00 C ATOM 485 O HIS A 34 -5.341 10.047 4.291 1.00 0.00 O ATOM 486 CB HIS A 34 -2.485 9.752 4.794 1.00 0.00 C ATOM 487 CG HIS A 34 -1.083 9.421 5.269 1.00 0.00 C ATOM 488 ND1 HIS A 34 0.044 10.204 5.132 1.00 0.00 N ATOM 489 CD2 HIS A 34 -0.699 8.282 5.925 1.00 0.00 C ATOM 490 CE1 HIS A 34 1.076 9.530 5.673 1.00 0.00 C ATOM 491 NE2 HIS A 34 0.665 8.359 6.195 1.00 0.00 N ATOM 0 H HIS A 34 -2.814 6.660 4.972 1.00 0.00 H new ATOM 0 HA HIS A 34 -3.474 8.479 6.095 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -2.450 9.994 3.732 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -2.832 10.645 5.313 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -1.347 7.460 6.189 1.00 0.00 H new ATOM 0 HE1 HIS A 34 2.097 9.882 5.687 1.00 0.00 H new ATOM 0 HE2 HIS A 34 1.235 7.671 6.687 1.00 0.00 H new ATOM 499 N ASN A 35 -5.806 7.914 4.857 1.00 0.00 N ATOM 500 CA ASN A 35 -7.252 7.854 4.663 1.00 0.00 C ATOM 501 C ASN A 35 -7.698 8.113 3.220 1.00 0.00 C ATOM 502 O ASN A 35 -8.872 8.412 2.987 1.00 0.00 O ATOM 503 CB ASN A 35 -7.972 8.708 5.723 1.00 0.00 C ATOM 504 CG ASN A 35 -7.719 8.177 7.130 1.00 0.00 C ATOM 505 OD1 ASN A 35 -6.633 8.330 7.683 1.00 0.00 O ATOM 506 ND2 ASN A 35 -8.678 7.485 7.720 1.00 0.00 N ATOM 0 H ASN A 35 -5.447 7.011 5.167 1.00 0.00 H new ATOM 0 HA ASN A 35 -7.565 6.822 4.825 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -7.629 9.740 5.655 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.043 8.714 5.522 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -8.519 7.074 8.640 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -9.578 7.362 7.255 1.00 0.00 H new ATOM 513 N ASN A 36 -6.781 8.040 2.254 1.00 0.00 N ATOM 514 CA ASN A 36 -7.062 8.239 0.835 1.00 0.00 C ATOM 515 C ASN A 36 -7.639 6.916 0.317 1.00 0.00 C ATOM 516 O ASN A 36 -6.891 5.942 0.203 1.00 0.00 O ATOM 517 CB ASN A 36 -5.762 8.617 0.111 1.00 0.00 C ATOM 518 CG ASN A 36 -5.965 8.866 -1.380 1.00 0.00 C ATOM 519 OD1 ASN A 36 -6.758 8.208 -2.037 1.00 0.00 O ATOM 520 ND2 ASN A 36 -5.210 9.779 -1.959 1.00 0.00 N ATOM 0 H ASN A 36 -5.800 7.836 2.443 1.00 0.00 H new ATOM 0 HA ASN A 36 -7.773 9.047 0.661 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -5.343 9.512 0.570 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -5.032 7.819 0.245 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -5.285 9.941 -2.963 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -4.551 10.323 -1.403 1.00 0.00 H new ATOM 527 N ILE A 37 -8.951 6.838 0.064 1.00 0.00 N ATOM 528 CA ILE A 37 -9.581 5.605 -0.415 1.00 0.00 C ATOM 529 C ILE A 37 -9.046 5.181 -1.785 1.00 0.00 C ATOM 530 O ILE A 37 -8.876 3.990 -2.011 1.00 0.00 O ATOM 531 CB ILE A 37 -11.126 5.710 -0.379 1.00 0.00 C ATOM 532 CG1 ILE A 37 -11.854 4.375 -0.655 1.00 0.00 C ATOM 533 CG2 ILE A 37 -11.689 6.771 -1.339 1.00 0.00 C ATOM 534 CD1 ILE A 37 -11.925 3.389 0.521 1.00 0.00 C ATOM 0 H ILE A 37 -9.597 7.618 0.184 1.00 0.00 H new ATOM 0 HA ILE A 37 -9.306 4.806 0.273 1.00 0.00 H new ATOM 0 HB ILE A 37 -11.325 6.011 0.650 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -12.871 4.599 -0.977 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -11.357 3.879 -1.489 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -12.776 6.791 -1.262 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -11.289 7.750 -1.075 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -11.402 6.526 -2.361 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -12.457 2.490 0.210 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -10.915 3.123 0.834 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -12.453 3.854 1.354 1.00 0.00 H new ATOM 546 N GLU A 38 -8.777 6.105 -2.708 1.00 0.00 N ATOM 547 CA GLU A 38 -8.276 5.750 -4.039 1.00 0.00 C ATOM 548 C GLU A 38 -6.914 5.066 -3.939 1.00 0.00 C ATOM 549 O GLU A 38 -6.687 3.993 -4.498 1.00 0.00 O ATOM 550 CB GLU A 38 -8.171 6.986 -4.936 1.00 0.00 C ATOM 551 CG GLU A 38 -9.523 7.672 -5.159 1.00 0.00 C ATOM 552 CD GLU A 38 -9.482 8.697 -6.293 1.00 0.00 C ATOM 553 OE1 GLU A 38 -8.383 9.108 -6.731 1.00 0.00 O ATOM 554 OE2 GLU A 38 -10.580 9.035 -6.801 1.00 0.00 O ATOM 0 H GLU A 38 -8.897 7.107 -2.559 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.989 5.057 -4.486 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.477 7.697 -4.488 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.752 6.696 -5.900 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -10.277 6.917 -5.383 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -9.832 8.167 -4.238 1.00 0.00 H new ATOM 561 N MET A 39 -6.006 5.697 -3.205 1.00 0.00 N ATOM 562 CA MET A 39 -4.656 5.227 -2.961 1.00 0.00 C ATOM 563 C MET A 39 -4.746 3.875 -2.251 1.00 0.00 C ATOM 564 O MET A 39 -4.078 2.926 -2.655 1.00 0.00 O ATOM 565 CB MET A 39 -3.962 6.316 -2.148 1.00 0.00 C ATOM 566 CG MET A 39 -2.453 6.233 -1.959 1.00 0.00 C ATOM 567 SD MET A 39 -1.835 7.803 -1.273 1.00 0.00 S ATOM 568 CE MET A 39 -0.058 7.689 -1.598 1.00 0.00 C ATOM 0 H MET A 39 -6.202 6.587 -2.746 1.00 0.00 H new ATOM 0 HA MET A 39 -4.072 5.059 -3.866 1.00 0.00 H new ATOM 0 HB2 MET A 39 -4.185 7.274 -2.619 1.00 0.00 H new ATOM 0 HB3 MET A 39 -4.419 6.333 -1.159 1.00 0.00 H new ATOM 0 HG2 MET A 39 -2.205 5.409 -1.289 1.00 0.00 H new ATOM 0 HG3 MET A 39 -1.968 6.025 -2.913 1.00 0.00 H new ATOM 0 HE1 MET A 39 0.423 8.628 -1.325 1.00 0.00 H new ATOM 0 HE2 MET A 39 0.369 6.878 -1.007 1.00 0.00 H new ATOM 0 HE3 MET A 39 0.106 7.492 -2.657 1.00 0.00 H new ATOM 578 N ALA A 40 -5.619 3.751 -1.245 1.00 0.00 N ATOM 579 CA ALA A 40 -5.805 2.510 -0.511 1.00 0.00 C ATOM 580 C ALA A 40 -6.331 1.405 -1.440 1.00 0.00 C ATOM 581 O ALA A 40 -5.886 0.258 -1.354 1.00 0.00 O ATOM 582 CB ALA A 40 -6.747 2.755 0.668 1.00 0.00 C ATOM 0 H ALA A 40 -6.214 4.514 -0.922 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.846 2.170 -0.120 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.888 1.826 1.220 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.316 3.507 1.328 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.710 3.107 0.297 1.00 0.00 H new ATOM 588 N LYS A 41 -7.269 1.727 -2.340 1.00 0.00 N ATOM 589 CA LYS A 41 -7.824 0.770 -3.295 1.00 0.00 C ATOM 590 C LYS A 41 -6.688 0.276 -4.189 1.00 0.00 C ATOM 591 O LYS A 41 -6.627 -0.926 -4.451 1.00 0.00 O ATOM 592 CB LYS A 41 -8.935 1.401 -4.150 1.00 0.00 C ATOM 593 CG LYS A 41 -10.289 1.477 -3.438 1.00 0.00 C ATOM 594 CD LYS A 41 -11.314 2.198 -4.320 1.00 0.00 C ATOM 595 CE LYS A 41 -12.665 2.409 -3.632 1.00 0.00 C ATOM 596 NZ LYS A 41 -13.607 1.274 -3.751 1.00 0.00 N ATOM 0 H LYS A 41 -7.663 2.664 -2.423 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.272 -0.060 -2.749 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.631 2.406 -4.442 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.048 0.823 -5.067 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -10.642 0.472 -3.205 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -10.180 2.004 -2.490 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -10.910 3.166 -4.617 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -11.465 1.623 -5.233 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -12.491 2.609 -2.575 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -13.135 3.298 -4.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -14.571 1.637 -3.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -13.337 0.682 -4.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -13.576 0.705 -2.881 1.00 0.00 H new ATOM 610 N ASN A 42 -5.781 1.163 -4.621 1.00 0.00 N ATOM 611 CA ASN A 42 -4.645 0.806 -5.474 1.00 0.00 C ATOM 612 C ASN A 42 -3.767 -0.232 -4.780 1.00 0.00 C ATOM 613 O ASN A 42 -3.353 -1.188 -5.428 1.00 0.00 O ATOM 614 CB ASN A 42 -3.755 2.009 -5.831 1.00 0.00 C ATOM 615 CG ASN A 42 -4.421 3.098 -6.650 1.00 0.00 C ATOM 616 OD1 ASN A 42 -5.309 2.839 -7.456 1.00 0.00 O ATOM 617 ND2 ASN A 42 -3.994 4.339 -6.498 1.00 0.00 N ATOM 0 H ASN A 42 -5.818 2.155 -4.385 1.00 0.00 H new ATOM 0 HA ASN A 42 -5.077 0.411 -6.394 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -3.384 2.451 -4.906 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -2.887 1.645 -6.381 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -4.403 5.091 -7.053 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -3.255 4.545 -5.826 1.00 0.00 H new ATOM 624 N ILE A 43 -3.490 -0.062 -3.479 1.00 0.00 N ATOM 625 CA ILE A 43 -2.667 -0.989 -2.698 1.00 0.00 C ATOM 626 C ILE A 43 -3.264 -2.384 -2.837 1.00 0.00 C ATOM 627 O ILE A 43 -2.591 -3.324 -3.262 1.00 0.00 O ATOM 628 CB ILE A 43 -2.557 -0.542 -1.216 1.00 0.00 C ATOM 629 CG1 ILE A 43 -1.805 0.802 -1.152 1.00 0.00 C ATOM 630 CG2 ILE A 43 -1.847 -1.607 -0.370 1.00 0.00 C ATOM 631 CD1 ILE A 43 -1.798 1.501 0.208 1.00 0.00 C ATOM 0 H ILE A 43 -3.835 0.730 -2.937 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.646 -0.995 -3.080 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.558 -0.417 -0.804 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.772 0.633 -1.457 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -2.247 1.478 -1.884 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.784 -1.268 0.664 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.410 -2.540 -0.412 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.843 -1.771 -0.760 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.241 2.435 0.134 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -2.823 1.713 0.514 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.325 0.854 0.947 1.00 0.00 H new ATOM 643 N LEU A 44 -4.547 -2.508 -2.501 1.00 0.00 N ATOM 644 CA LEU A 44 -5.258 -3.771 -2.573 1.00 0.00 C ATOM 645 C LEU A 44 -5.183 -4.345 -3.994 1.00 0.00 C ATOM 646 O LEU A 44 -4.895 -5.524 -4.165 1.00 0.00 O ATOM 647 CB LEU A 44 -6.713 -3.568 -2.112 1.00 0.00 C ATOM 648 CG LEU A 44 -6.870 -3.118 -0.645 1.00 0.00 C ATOM 649 CD1 LEU A 44 -8.306 -2.660 -0.381 1.00 0.00 C ATOM 650 CD2 LEU A 44 -6.509 -4.235 0.334 1.00 0.00 C ATOM 0 H LEU A 44 -5.119 -1.730 -2.171 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.789 -4.496 -1.907 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.184 -2.826 -2.757 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.257 -4.502 -2.251 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.181 -2.288 -0.487 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.402 -2.345 0.658 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.548 -1.824 -1.037 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.992 -3.484 -0.576 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.633 -3.877 1.356 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.163 -5.091 0.167 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.473 -4.535 0.178 1.00 0.00 H new ATOM 662 N ARG A 45 -5.374 -3.506 -5.012 1.00 0.00 N ATOM 663 CA ARG A 45 -5.364 -3.862 -6.431 1.00 0.00 C ATOM 664 C ARG A 45 -4.011 -4.328 -6.994 1.00 0.00 C ATOM 665 O ARG A 45 -4.013 -4.972 -8.042 1.00 0.00 O ATOM 666 CB ARG A 45 -5.896 -2.638 -7.192 1.00 0.00 C ATOM 667 CG ARG A 45 -6.473 -2.927 -8.577 1.00 0.00 C ATOM 668 CD ARG A 45 -7.264 -1.688 -9.016 1.00 0.00 C ATOM 669 NE ARG A 45 -7.489 -1.676 -10.464 1.00 0.00 N ATOM 670 CZ ARG A 45 -8.610 -1.363 -11.120 1.00 0.00 C ATOM 671 NH1 ARG A 45 -9.737 -1.043 -10.484 1.00 0.00 N ATOM 672 NH2 ARG A 45 -8.581 -1.370 -12.443 1.00 0.00 N ATOM 0 H ARG A 45 -5.548 -2.512 -4.863 1.00 0.00 H new ATOM 0 HA ARG A 45 -5.993 -4.743 -6.561 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -6.668 -2.163 -6.587 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -5.086 -1.917 -7.298 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -5.675 -3.143 -9.287 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -7.120 -3.804 -8.547 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -8.223 -1.666 -8.498 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -6.723 -0.788 -8.724 1.00 0.00 H new ATOM 0 HE ARG A 45 -6.691 -1.939 -11.043 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -9.762 -1.032 -9.464 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -10.575 -0.809 -11.017 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -7.719 -1.610 -12.933 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -9.421 -1.136 -12.973 1.00 0.00 H new ATOM 686 N GLU A 46 -2.880 -4.066 -6.336 1.00 0.00 N ATOM 687 CA GLU A 46 -1.544 -4.471 -6.809 1.00 0.00 C ATOM 688 C GLU A 46 -0.860 -5.455 -5.845 1.00 0.00 C ATOM 689 O GLU A 46 0.135 -6.076 -6.226 1.00 0.00 O ATOM 690 CB GLU A 46 -0.660 -3.221 -6.993 1.00 0.00 C ATOM 691 CG GLU A 46 -0.977 -2.344 -8.224 1.00 0.00 C ATOM 692 CD GLU A 46 -0.009 -2.552 -9.405 1.00 0.00 C ATOM 693 OE1 GLU A 46 -0.230 -3.488 -10.211 1.00 0.00 O ATOM 694 OE2 GLU A 46 0.940 -1.759 -9.603 1.00 0.00 O ATOM 0 H GLU A 46 -2.860 -3.562 -5.450 1.00 0.00 H new ATOM 0 HA GLU A 46 -1.672 -4.984 -7.762 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.748 -2.603 -6.099 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.380 -3.542 -7.058 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.993 -2.557 -8.558 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -0.952 -1.296 -7.927 1.00 0.00 H new ATOM 701 N PHE A 47 -1.399 -5.658 -4.634 1.00 0.00 N ATOM 702 CA PHE A 47 -0.824 -6.553 -3.627 1.00 0.00 C ATOM 703 C PHE A 47 -1.783 -7.635 -3.148 1.00 0.00 C ATOM 704 O PHE A 47 -1.389 -8.796 -3.026 1.00 0.00 O ATOM 705 CB PHE A 47 -0.356 -5.733 -2.425 1.00 0.00 C ATOM 706 CG PHE A 47 0.942 -5.003 -2.675 1.00 0.00 C ATOM 707 CD1 PHE A 47 0.967 -3.693 -3.196 1.00 0.00 C ATOM 708 CD2 PHE A 47 2.141 -5.631 -2.301 1.00 0.00 C ATOM 709 CE1 PHE A 47 2.198 -3.056 -3.415 1.00 0.00 C ATOM 710 CE2 PHE A 47 3.364 -4.977 -2.476 1.00 0.00 C ATOM 711 CZ PHE A 47 3.392 -3.706 -3.068 1.00 0.00 C ATOM 0 H PHE A 47 -2.256 -5.199 -4.326 1.00 0.00 H new ATOM 0 HA PHE A 47 0.010 -7.062 -4.109 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -1.128 -5.010 -2.163 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -0.235 -6.394 -1.567 1.00 0.00 H new ATOM 0 HD1 PHE A 47 0.043 -3.182 -3.425 1.00 0.00 H new ATOM 0 HD2 PHE A 47 2.118 -6.624 -1.876 1.00 0.00 H new ATOM 0 HE1 PHE A 47 2.226 -2.068 -3.850 1.00 0.00 H new ATOM 0 HE2 PHE A 47 4.282 -5.448 -2.157 1.00 0.00 H new ATOM 0 HZ PHE A 47 4.340 -3.224 -3.258 1.00 0.00 H new ATOM 721 N SER A 48 -3.012 -7.259 -2.803 1.00 0.00 N ATOM 722 CA SER A 48 -4.041 -8.181 -2.331 1.00 0.00 C ATOM 723 C SER A 48 -4.764 -8.825 -3.537 1.00 0.00 C ATOM 724 O SER A 48 -5.530 -9.775 -3.375 1.00 0.00 O ATOM 725 CB SER A 48 -4.924 -7.392 -1.348 1.00 0.00 C ATOM 726 OG SER A 48 -5.848 -8.161 -0.618 1.00 0.00 O ATOM 0 H SER A 48 -3.326 -6.289 -2.844 1.00 0.00 H new ATOM 0 HA SER A 48 -3.645 -9.037 -1.785 1.00 0.00 H new ATOM 0 HB2 SER A 48 -4.277 -6.868 -0.645 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.470 -6.632 -1.906 1.00 0.00 H new ATOM 0 HG SER A 48 -6.361 -7.577 -0.021 1.00 0.00 H new ATOM 732 N GLY A 49 -4.505 -8.331 -4.754 1.00 0.00 N ATOM 733 CA GLY A 49 -5.057 -8.801 -6.014 1.00 0.00 C ATOM 734 C GLY A 49 -4.121 -9.835 -6.655 1.00 0.00 C ATOM 735 O GLY A 49 -3.105 -10.207 -6.060 1.00 0.00 O ATOM 0 H GLY A 49 -3.866 -7.547 -4.884 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -6.038 -9.244 -5.846 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -5.199 -7.960 -6.692 1.00 0.00 H new ATOM 739 N PRO A 50 -4.441 -10.317 -7.865 1.00 0.00 N ATOM 740 CA PRO A 50 -3.637 -11.310 -8.560 1.00 0.00 C ATOM 741 C PRO A 50 -2.346 -10.695 -9.111 1.00 0.00 C ATOM 742 O PRO A 50 -2.400 -9.959 -10.096 1.00 0.00 O ATOM 743 CB PRO A 50 -4.552 -11.846 -9.669 1.00 0.00 C ATOM 744 CG PRO A 50 -5.462 -10.663 -10.000 1.00 0.00 C ATOM 745 CD PRO A 50 -5.603 -9.943 -8.659 1.00 0.00 C ATOM 0 HA PRO A 50 -3.303 -12.111 -7.901 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -3.979 -12.165 -10.540 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -5.126 -12.709 -9.331 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -5.022 -10.017 -10.759 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -6.428 -10.993 -10.383 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -5.645 -8.863 -8.801 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -6.526 -10.234 -8.157 1.00 0.00 H new ATOM 753 N SER A 51 -1.193 -10.977 -8.492 1.00 0.00 N ATOM 754 CA SER A 51 0.087 -10.448 -8.966 1.00 0.00 C ATOM 755 C SER A 51 0.319 -10.966 -10.394 1.00 0.00 C ATOM 756 O SER A 51 0.715 -10.196 -11.270 1.00 0.00 O ATOM 757 CB SER A 51 1.208 -10.812 -7.982 1.00 0.00 C ATOM 758 OG SER A 51 2.424 -10.153 -8.280 1.00 0.00 O ATOM 0 H SER A 51 -1.123 -11.568 -7.663 1.00 0.00 H new ATOM 0 HA SER A 51 0.079 -9.359 -9.007 1.00 0.00 H new ATOM 0 HB2 SER A 51 0.897 -10.554 -6.970 1.00 0.00 H new ATOM 0 HB3 SER A 51 1.368 -11.890 -8.001 1.00 0.00 H new ATOM 0 HG SER A 51 3.106 -10.414 -7.627 1.00 0.00 H new ATOM 764 N SER A 52 0.048 -12.250 -10.649 1.00 0.00 N ATOM 765 CA SER A 52 0.177 -12.883 -11.954 1.00 0.00 C ATOM 766 C SER A 52 -1.156 -13.563 -12.270 1.00 0.00 C ATOM 767 O SER A 52 -1.878 -14.017 -11.369 1.00 0.00 O ATOM 768 CB SER A 52 1.343 -13.880 -11.977 1.00 0.00 C ATOM 769 OG SER A 52 2.557 -13.275 -11.559 1.00 0.00 O ATOM 0 H SER A 52 -0.277 -12.893 -9.927 1.00 0.00 H new ATOM 0 HA SER A 52 0.403 -12.138 -12.716 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.114 -14.724 -11.326 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.462 -14.278 -12.985 1.00 0.00 H new ATOM 0 HG SER A 52 3.278 -13.938 -11.584 1.00 0.00 H new ATOM 775 N GLY A 53 -1.458 -13.710 -13.556 1.00 0.00 N ATOM 776 CA GLY A 53 -2.672 -14.310 -14.091 1.00 0.00 C ATOM 777 C GLY A 53 -3.045 -13.570 -15.350 1.00 0.00 C ATOM 778 O GLY A 53 -2.740 -12.359 -15.432 1.00 0.00 O ATOM 0 H GLY A 53 -0.826 -13.396 -14.292 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -2.512 -15.367 -14.304 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -3.479 -14.251 -13.361 1.00 0.00 H new TER 782 GLY A 53 ATOM 783 N GLY B 1 11.993 7.629 10.534 1.00 0.00 N ATOM 784 CA GLY B 1 13.089 7.964 11.448 1.00 0.00 C ATOM 785 C GLY B 1 14.293 8.431 10.657 1.00 0.00 C ATOM 786 O GLY B 1 14.892 7.603 9.969 1.00 0.00 O ATOM 0 H1 GLY B 1 11.169 7.309 11.082 1.00 0.00 H new ATOM 0 H2 GLY B 1 11.734 8.470 9.979 1.00 0.00 H new ATOM 0 H3 GLY B 1 12.297 6.870 9.891 1.00 0.00 H new ATOM 0 HA2 GLY B 1 12.772 8.744 12.140 1.00 0.00 H new ATOM 0 HA3 GLY B 1 13.353 7.093 12.049 1.00 0.00 H new ATOM 790 N SER B 2 14.648 9.717 10.778 1.00 0.00 N ATOM 791 CA SER B 2 15.754 10.436 10.144 1.00 0.00 C ATOM 792 C SER B 2 16.825 9.566 9.477 1.00 0.00 C ATOM 793 O SER B 2 17.689 8.998 10.154 1.00 0.00 O ATOM 794 CB SER B 2 16.441 11.318 11.192 1.00 0.00 C ATOM 795 OG SER B 2 15.746 12.529 11.399 1.00 0.00 O ATOM 0 H SER B 2 14.112 10.339 11.383 1.00 0.00 H new ATOM 0 HA SER B 2 15.292 11.007 9.339 1.00 0.00 H new ATOM 0 HB2 SER B 2 16.511 10.774 12.134 1.00 0.00 H new ATOM 0 HB3 SER B 2 17.460 11.535 10.872 1.00 0.00 H new ATOM 0 HG SER B 2 16.213 13.063 12.075 1.00 0.00 H new ATOM 801 N SER B 3 16.792 9.459 8.150 1.00 0.00 N ATOM 802 CA SER B 3 17.781 8.689 7.406 1.00 0.00 C ATOM 803 C SER B 3 19.152 9.387 7.446 1.00 0.00 C ATOM 804 O SER B 3 20.183 8.719 7.359 1.00 0.00 O ATOM 805 CB SER B 3 17.291 8.477 5.971 1.00 0.00 C ATOM 806 OG SER B 3 16.555 9.585 5.482 1.00 0.00 O ATOM 0 H SER B 3 16.083 9.901 7.565 1.00 0.00 H new ATOM 0 HA SER B 3 17.906 7.711 7.871 1.00 0.00 H new ATOM 0 HB2 SER B 3 18.147 8.297 5.321 1.00 0.00 H new ATOM 0 HB3 SER B 3 16.667 7.584 5.931 1.00 0.00 H new ATOM 0 HG SER B 3 16.265 9.405 4.563 1.00 0.00 H new ATOM 812 N GLY B 4 19.185 10.694 7.715 1.00 0.00 N ATOM 813 CA GLY B 4 20.381 11.511 7.784 1.00 0.00 C ATOM 814 C GLY B 4 20.616 12.040 6.384 1.00 0.00 C ATOM 815 O GLY B 4 19.942 12.989 5.962 1.00 0.00 O ATOM 0 H GLY B 4 18.336 11.228 7.898 1.00 0.00 H new ATOM 0 HA2 GLY B 4 20.252 12.329 8.492 1.00 0.00 H new ATOM 0 HA3 GLY B 4 21.233 10.924 8.126 1.00 0.00 H new ATOM 819 N SER B 5 21.545 11.431 5.657 1.00 0.00 N ATOM 820 CA SER B 5 21.842 11.838 4.297 1.00 0.00 C ATOM 821 C SER B 5 20.648 11.510 3.394 1.00 0.00 C ATOM 822 O SER B 5 19.857 10.603 3.675 1.00 0.00 O ATOM 823 CB SER B 5 23.085 11.090 3.814 1.00 0.00 C ATOM 824 OG SER B 5 24.152 11.280 4.725 1.00 0.00 O ATOM 0 H SER B 5 22.107 10.649 5.993 1.00 0.00 H new ATOM 0 HA SER B 5 22.028 12.911 4.261 1.00 0.00 H new ATOM 0 HB2 SER B 5 22.864 10.027 3.717 1.00 0.00 H new ATOM 0 HB3 SER B 5 23.373 11.447 2.825 1.00 0.00 H new ATOM 0 HG SER B 5 24.943 10.796 4.408 1.00 0.00 H new ATOM 830 N SER B 6 20.520 12.244 2.297 1.00 0.00 N ATOM 831 CA SER B 6 19.489 12.091 1.288 1.00 0.00 C ATOM 832 C SER B 6 20.115 12.464 -0.055 1.00 0.00 C ATOM 833 O SER B 6 21.137 13.161 -0.093 1.00 0.00 O ATOM 834 CB SER B 6 18.253 12.936 1.632 1.00 0.00 C ATOM 835 OG SER B 6 18.539 14.310 1.853 1.00 0.00 O ATOM 0 H SER B 6 21.168 13.001 2.079 1.00 0.00 H new ATOM 0 HA SER B 6 19.128 11.063 1.242 1.00 0.00 H new ATOM 0 HB2 SER B 6 17.530 12.851 0.821 1.00 0.00 H new ATOM 0 HB3 SER B 6 17.781 12.525 2.524 1.00 0.00 H new ATOM 0 HG SER B 6 17.709 14.787 2.065 1.00 0.00 H new ATOM 841 N GLY B 7 19.514 12.008 -1.148 1.00 0.00 N ATOM 842 CA GLY B 7 19.975 12.273 -2.496 1.00 0.00 C ATOM 843 C GLY B 7 19.350 11.317 -3.506 1.00 0.00 C ATOM 844 O GLY B 7 19.106 11.724 -4.643 1.00 0.00 O ATOM 0 H GLY B 7 18.674 11.431 -1.115 1.00 0.00 H new ATOM 0 HA2 GLY B 7 19.731 13.300 -2.768 1.00 0.00 H new ATOM 0 HA3 GLY B 7 21.061 12.183 -2.533 1.00 0.00 H new ATOM 848 N GLN B 8 19.128 10.056 -3.133 1.00 0.00 N ATOM 849 CA GLN B 8 18.533 9.015 -3.967 1.00 0.00 C ATOM 850 C GLN B 8 17.772 8.033 -3.063 1.00 0.00 C ATOM 851 O GLN B 8 17.941 8.033 -1.838 1.00 0.00 O ATOM 852 CB GLN B 8 19.616 8.274 -4.788 1.00 0.00 C ATOM 853 CG GLN B 8 20.405 9.182 -5.749 1.00 0.00 C ATOM 854 CD GLN B 8 21.249 8.386 -6.739 1.00 0.00 C ATOM 855 OE1 GLN B 8 22.399 8.057 -6.469 1.00 0.00 O ATOM 856 NE2 GLN B 8 20.706 8.078 -7.904 1.00 0.00 N ATOM 0 H GLN B 8 19.369 9.719 -2.201 1.00 0.00 H new ATOM 0 HA GLN B 8 17.843 9.472 -4.676 1.00 0.00 H new ATOM 0 HB2 GLN B 8 20.314 7.796 -4.101 1.00 0.00 H new ATOM 0 HB3 GLN B 8 19.141 7.480 -5.363 1.00 0.00 H new ATOM 0 HG2 GLN B 8 19.710 9.818 -6.297 1.00 0.00 H new ATOM 0 HG3 GLN B 8 21.053 9.842 -5.172 1.00 0.00 H new ATOM 0 HE21 GLN B 8 19.748 8.360 -8.111 1.00 0.00 H new ATOM 0 HE22 GLN B 8 21.245 7.558 -8.596 1.00 0.00 H new ATOM 865 N LEU B 9 16.942 7.184 -3.669 1.00 0.00 N ATOM 866 CA LEU B 9 16.124 6.159 -3.019 1.00 0.00 C ATOM 867 C LEU B 9 16.617 4.755 -3.380 1.00 0.00 C ATOM 868 O LEU B 9 16.216 3.800 -2.718 1.00 0.00 O ATOM 869 CB LEU B 9 14.649 6.307 -3.448 1.00 0.00 C ATOM 870 CG LEU B 9 13.783 7.218 -2.558 1.00 0.00 C ATOM 871 CD1 LEU B 9 14.331 8.644 -2.422 1.00 0.00 C ATOM 872 CD2 LEU B 9 12.368 7.288 -3.147 1.00 0.00 C ATOM 0 H LEU B 9 16.815 7.193 -4.681 1.00 0.00 H new ATOM 0 HA LEU B 9 16.208 6.295 -1.941 1.00 0.00 H new ATOM 0 HB2 LEU B 9 14.623 6.694 -4.467 1.00 0.00 H new ATOM 0 HB3 LEU B 9 14.196 5.316 -3.472 1.00 0.00 H new ATOM 0 HG LEU B 9 13.786 6.779 -1.560 1.00 0.00 H new ATOM 0 HD11 LEU B 9 13.670 9.228 -1.782 1.00 0.00 H new ATOM 0 HD12 LEU B 9 15.327 8.610 -1.981 1.00 0.00 H new ATOM 0 HD13 LEU B 9 14.386 9.108 -3.407 1.00 0.00 H new ATOM 0 HD21 LEU B 9 11.746 7.931 -2.524 1.00 0.00 H new ATOM 0 HD22 LEU B 9 12.414 7.696 -4.157 1.00 0.00 H new ATOM 0 HD23 LEU B 9 11.937 6.287 -3.179 1.00 0.00 H new ATOM 884 N SER B 10 17.498 4.617 -4.380 1.00 0.00 N ATOM 885 CA SER B 10 18.056 3.352 -4.853 1.00 0.00 C ATOM 886 C SER B 10 18.580 2.488 -3.700 1.00 0.00 C ATOM 887 O SER B 10 18.319 1.285 -3.653 1.00 0.00 O ATOM 888 CB SER B 10 19.169 3.649 -5.873 1.00 0.00 C ATOM 889 OG SER B 10 18.837 4.756 -6.705 1.00 0.00 O ATOM 0 H SER B 10 17.853 5.419 -4.900 1.00 0.00 H new ATOM 0 HA SER B 10 17.263 2.777 -5.332 1.00 0.00 H new ATOM 0 HB2 SER B 10 20.100 3.856 -5.346 1.00 0.00 H new ATOM 0 HB3 SER B 10 19.341 2.768 -6.491 1.00 0.00 H new ATOM 0 HG SER B 10 19.566 4.918 -7.340 1.00 0.00 H new ATOM 895 N SER B 11 19.268 3.110 -2.741 1.00 0.00 N ATOM 896 CA SER B 11 19.840 2.454 -1.582 1.00 0.00 C ATOM 897 C SER B 11 18.788 1.833 -0.658 1.00 0.00 C ATOM 898 O SER B 11 19.056 0.806 -0.031 1.00 0.00 O ATOM 899 CB SER B 11 20.735 3.460 -0.840 1.00 0.00 C ATOM 900 OG SER B 11 20.295 4.806 -0.961 1.00 0.00 O ATOM 0 H SER B 11 19.443 4.115 -2.757 1.00 0.00 H new ATOM 0 HA SER B 11 20.440 1.611 -1.926 1.00 0.00 H new ATOM 0 HB2 SER B 11 20.772 3.192 0.216 1.00 0.00 H new ATOM 0 HB3 SER B 11 21.752 3.382 -1.225 1.00 0.00 H new ATOM 0 HG SER B 11 20.724 5.222 -1.738 1.00 0.00 H new ATOM 906 N GLU B 12 17.598 2.429 -0.551 1.00 0.00 N ATOM 907 CA GLU B 12 16.529 1.915 0.298 1.00 0.00 C ATOM 908 C GLU B 12 15.824 0.738 -0.365 1.00 0.00 C ATOM 909 O GLU B 12 15.327 -0.135 0.345 1.00 0.00 O ATOM 910 CB GLU B 12 15.513 3.014 0.627 1.00 0.00 C ATOM 911 CG GLU B 12 16.111 4.152 1.456 1.00 0.00 C ATOM 912 CD GLU B 12 16.678 3.697 2.806 1.00 0.00 C ATOM 913 OE1 GLU B 12 16.075 2.818 3.475 1.00 0.00 O ATOM 914 OE2 GLU B 12 17.664 4.315 3.268 1.00 0.00 O ATOM 0 H GLU B 12 17.352 3.282 -1.053 1.00 0.00 H new ATOM 0 HA GLU B 12 16.984 1.571 1.227 1.00 0.00 H new ATOM 0 HB2 GLU B 12 15.112 3.420 -0.302 1.00 0.00 H new ATOM 0 HB3 GLU B 12 14.676 2.576 1.171 1.00 0.00 H new ATOM 0 HG2 GLU B 12 16.904 4.631 0.881 1.00 0.00 H new ATOM 0 HG3 GLU B 12 15.343 4.906 1.630 1.00 0.00 H new ATOM 921 N ILE B 13 15.772 0.710 -1.701 1.00 0.00 N ATOM 922 CA ILE B 13 15.147 -0.377 -2.453 1.00 0.00 C ATOM 923 C ILE B 13 15.960 -1.641 -2.133 1.00 0.00 C ATOM 924 O ILE B 13 15.385 -2.694 -1.864 1.00 0.00 O ATOM 925 CB ILE B 13 15.071 -0.009 -3.956 1.00 0.00 C ATOM 926 CG1 ILE B 13 14.109 1.187 -4.160 1.00 0.00 C ATOM 927 CG2 ILE B 13 14.620 -1.194 -4.830 1.00 0.00 C ATOM 928 CD1 ILE B 13 14.191 1.830 -5.550 1.00 0.00 C ATOM 0 H ILE B 13 16.164 1.444 -2.291 1.00 0.00 H new ATOM 0 HA ILE B 13 14.110 -0.558 -2.170 1.00 0.00 H new ATOM 0 HB ILE B 13 16.078 0.264 -4.271 1.00 0.00 H new ATOM 0 HG12 ILE B 13 13.087 0.850 -3.988 1.00 0.00 H new ATOM 0 HG13 ILE B 13 14.326 1.946 -3.408 1.00 0.00 H new ATOM 0 HG21 ILE B 13 14.583 -0.883 -5.874 1.00 0.00 H new ATOM 0 HG22 ILE B 13 15.327 -2.016 -4.721 1.00 0.00 H new ATOM 0 HG23 ILE B 13 13.630 -1.523 -4.514 1.00 0.00 H new ATOM 0 HD11 ILE B 13 13.486 2.659 -5.610 1.00 0.00 H new ATOM 0 HD12 ILE B 13 15.202 2.200 -5.720 1.00 0.00 H new ATOM 0 HD13 ILE B 13 13.944 1.088 -6.309 1.00 0.00 H new ATOM 940 N GLU B 14 17.292 -1.532 -2.086 1.00 0.00 N ATOM 941 CA GLU B 14 18.164 -2.657 -1.761 1.00 0.00 C ATOM 942 C GLU B 14 17.926 -3.110 -0.322 1.00 0.00 C ATOM 943 O GLU B 14 17.960 -4.308 -0.032 1.00 0.00 O ATOM 944 CB GLU B 14 19.635 -2.242 -1.882 1.00 0.00 C ATOM 945 CG GLU B 14 20.063 -1.896 -3.305 1.00 0.00 C ATOM 946 CD GLU B 14 19.858 -3.072 -4.253 1.00 0.00 C ATOM 947 OE1 GLU B 14 20.521 -4.116 -4.065 1.00 0.00 O ATOM 948 OE2 GLU B 14 19.012 -2.958 -5.168 1.00 0.00 O ATOM 0 H GLU B 14 17.791 -0.662 -2.272 1.00 0.00 H new ATOM 0 HA GLU B 14 17.940 -3.466 -2.457 1.00 0.00 H new ATOM 0 HB2 GLU B 14 19.813 -1.380 -1.239 1.00 0.00 H new ATOM 0 HB3 GLU B 14 20.263 -3.052 -1.511 1.00 0.00 H new ATOM 0 HG2 GLU B 14 19.491 -1.038 -3.659 1.00 0.00 H new ATOM 0 HG3 GLU B 14 21.113 -1.603 -3.309 1.00 0.00 H new ATOM 955 N ARG B 15 17.694 -2.165 0.604 1.00 0.00 N ATOM 956 CA ARG B 15 17.472 -2.551 1.997 1.00 0.00 C ATOM 957 C ARG B 15 16.177 -3.342 2.088 1.00 0.00 C ATOM 958 O ARG B 15 16.074 -4.261 2.896 1.00 0.00 O ATOM 959 CB ARG B 15 17.488 -1.329 2.925 1.00 0.00 C ATOM 960 CG ARG B 15 18.915 -0.782 3.100 1.00 0.00 C ATOM 961 CD ARG B 15 18.900 0.475 3.973 1.00 0.00 C ATOM 962 NE ARG B 15 20.255 0.969 4.253 1.00 0.00 N ATOM 963 CZ ARG B 15 20.979 0.829 5.369 1.00 0.00 C ATOM 964 NH1 ARG B 15 20.465 0.273 6.463 1.00 0.00 N ATOM 965 NH2 ARG B 15 22.228 1.273 5.385 1.00 0.00 N ATOM 0 H ARG B 15 17.657 -1.163 0.418 1.00 0.00 H new ATOM 0 HA ARG B 15 18.287 -3.189 2.337 1.00 0.00 H new ATOM 0 HB2 ARG B 15 16.845 -0.550 2.516 1.00 0.00 H new ATOM 0 HB3 ARG B 15 17.079 -1.602 3.898 1.00 0.00 H new ATOM 0 HG2 ARG B 15 19.549 -1.542 3.556 1.00 0.00 H new ATOM 0 HG3 ARG B 15 19.345 -0.551 2.125 1.00 0.00 H new ATOM 0 HD2 ARG B 15 18.326 1.256 3.474 1.00 0.00 H new ATOM 0 HD3 ARG B 15 18.392 0.257 4.913 1.00 0.00 H new ATOM 0 HE ARG B 15 20.703 1.487 3.497 1.00 0.00 H new ATOM 0 HH11 ARG B 15 19.500 -0.057 6.462 1.00 0.00 H new ATOM 0 HH12 ARG B 15 21.036 0.177 7.303 1.00 0.00 H new ATOM 0 HH21 ARG B 15 22.623 1.714 4.554 1.00 0.00 H new ATOM 0 HH22 ARG B 15 22.794 1.174 6.228 1.00 0.00 H new ATOM 979 N LEU B 16 15.190 -3.013 1.255 1.00 0.00 N ATOM 980 CA LEU B 16 13.918 -3.711 1.247 1.00 0.00 C ATOM 981 C LEU B 16 14.074 -5.121 0.695 1.00 0.00 C ATOM 982 O LEU B 16 13.374 -6.016 1.168 1.00 0.00 O ATOM 983 CB LEU B 16 12.864 -2.885 0.507 1.00 0.00 C ATOM 984 CG LEU B 16 12.405 -1.711 1.386 1.00 0.00 C ATOM 985 CD1 LEU B 16 11.730 -0.664 0.505 1.00 0.00 C ATOM 986 CD2 LEU B 16 11.462 -2.189 2.502 1.00 0.00 C ATOM 0 H LEU B 16 15.255 -2.258 0.572 1.00 0.00 H new ATOM 0 HA LEU B 16 13.564 -3.826 2.272 1.00 0.00 H new ATOM 0 HB2 LEU B 16 13.276 -2.510 -0.430 1.00 0.00 H new ATOM 0 HB3 LEU B 16 12.011 -3.514 0.251 1.00 0.00 H new ATOM 0 HG LEU B 16 13.273 -1.265 1.872 1.00 0.00 H new ATOM 0 HD11 LEU B 16 11.401 0.173 1.121 1.00 0.00 H new ATOM 0 HD12 LEU B 16 12.438 -0.307 -0.243 1.00 0.00 H new ATOM 0 HD13 LEU B 16 10.868 -1.108 0.007 1.00 0.00 H new ATOM 0 HD21 LEU B 16 11.154 -1.337 3.108 1.00 0.00 H new ATOM 0 HD22 LEU B 16 10.583 -2.657 2.060 1.00 0.00 H new ATOM 0 HD23 LEU B 16 11.980 -2.913 3.131 1.00 0.00 H new ATOM 998 N MET B 17 14.987 -5.354 -0.254 1.00 0.00 N ATOM 999 CA MET B 17 15.182 -6.707 -0.772 1.00 0.00 C ATOM 1000 C MET B 17 15.671 -7.599 0.369 1.00 0.00 C ATOM 1001 O MET B 17 15.238 -8.746 0.472 1.00 0.00 O ATOM 1002 CB MET B 17 16.181 -6.753 -1.926 1.00 0.00 C ATOM 1003 CG MET B 17 15.663 -6.045 -3.170 1.00 0.00 C ATOM 1004 SD MET B 17 16.781 -6.217 -4.582 1.00 0.00 S ATOM 1005 CE MET B 17 16.302 -4.701 -5.423 1.00 0.00 C ATOM 0 H MET B 17 15.588 -4.642 -0.669 1.00 0.00 H new ATOM 0 HA MET B 17 14.228 -7.061 -1.163 1.00 0.00 H new ATOM 0 HB2 MET B 17 17.117 -6.291 -1.612 1.00 0.00 H new ATOM 0 HB3 MET B 17 16.404 -7.792 -2.169 1.00 0.00 H new ATOM 0 HG2 MET B 17 14.686 -6.449 -3.433 1.00 0.00 H new ATOM 0 HG3 MET B 17 15.522 -4.987 -2.950 1.00 0.00 H new ATOM 0 HE1 MET B 17 16.741 -4.684 -6.420 1.00 0.00 H new ATOM 0 HE2 MET B 17 15.216 -4.657 -5.504 1.00 0.00 H new ATOM 0 HE3 MET B 17 16.658 -3.842 -4.855 1.00 0.00 H new ATOM 1015 N SER B 18 16.504 -7.051 1.262 1.00 0.00 N ATOM 1016 CA SER B 18 17.063 -7.729 2.424 1.00 0.00 C ATOM 1017 C SER B 18 15.929 -8.243 3.327 1.00 0.00 C ATOM 1018 O SER B 18 16.025 -9.319 3.922 1.00 0.00 O ATOM 1019 CB SER B 18 17.973 -6.727 3.158 1.00 0.00 C ATOM 1020 OG SER B 18 19.070 -7.348 3.794 1.00 0.00 O ATOM 0 H SER B 18 16.816 -6.083 1.186 1.00 0.00 H new ATOM 0 HA SER B 18 17.652 -8.597 2.128 1.00 0.00 H new ATOM 0 HB2 SER B 18 18.342 -5.989 2.446 1.00 0.00 H new ATOM 0 HB3 SER B 18 17.386 -6.187 3.901 1.00 0.00 H new ATOM 0 HG SER B 18 19.616 -6.669 4.243 1.00 0.00 H new ATOM 1026 N GLN B 19 14.828 -7.490 3.422 1.00 0.00 N ATOM 1027 CA GLN B 19 13.677 -7.867 4.231 1.00 0.00 C ATOM 1028 C GLN B 19 12.971 -9.084 3.635 1.00 0.00 C ATOM 1029 O GLN B 19 12.443 -9.894 4.395 1.00 0.00 O ATOM 1030 CB GLN B 19 12.696 -6.699 4.352 1.00 0.00 C ATOM 1031 CG GLN B 19 13.328 -5.409 4.893 1.00 0.00 C ATOM 1032 CD GLN B 19 14.139 -5.620 6.168 1.00 0.00 C ATOM 1033 OE1 GLN B 19 15.355 -5.465 6.191 1.00 0.00 O ATOM 1034 NE2 GLN B 19 13.509 -5.931 7.278 1.00 0.00 N ATOM 0 H GLN B 19 14.715 -6.600 2.936 1.00 0.00 H new ATOM 0 HA GLN B 19 14.037 -8.126 5.227 1.00 0.00 H new ATOM 0 HB2 GLN B 19 12.264 -6.497 3.372 1.00 0.00 H new ATOM 0 HB3 GLN B 19 11.876 -6.993 5.007 1.00 0.00 H new ATOM 0 HG2 GLN B 19 13.974 -4.981 4.127 1.00 0.00 H new ATOM 0 HG3 GLN B 19 12.540 -4.681 5.089 1.00 0.00 H new ATOM 0 HE21 GLN B 19 12.498 -6.062 7.271 1.00 0.00 H new ATOM 0 HE22 GLN B 19 14.031 -6.041 8.147 1.00 0.00 H new ATOM 1043 N GLY B 20 12.998 -9.237 2.311 1.00 0.00 N ATOM 1044 CA GLY B 20 12.389 -10.340 1.582 1.00 0.00 C ATOM 1045 C GLY B 20 11.459 -9.876 0.469 1.00 0.00 C ATOM 1046 O GLY B 20 11.096 -10.687 -0.380 1.00 0.00 O ATOM 0 H GLY B 20 13.463 -8.568 1.697 1.00 0.00 H new ATOM 0 HA2 GLY B 20 13.174 -10.964 1.155 1.00 0.00 H new ATOM 0 HA3 GLY B 20 11.830 -10.964 2.279 1.00 0.00 H new ATOM 1050 N TYR B 21 11.075 -8.597 0.450 1.00 0.00 N ATOM 1051 CA TYR B 21 10.194 -8.052 -0.575 1.00 0.00 C ATOM 1052 C TYR B 21 10.907 -8.138 -1.930 1.00 0.00 C ATOM 1053 O TYR B 21 12.110 -7.874 -2.009 1.00 0.00 O ATOM 1054 CB TYR B 21 9.846 -6.592 -0.238 1.00 0.00 C ATOM 1055 CG TYR B 21 9.421 -6.323 1.199 1.00 0.00 C ATOM 1056 CD1 TYR B 21 8.282 -6.943 1.744 1.00 0.00 C ATOM 1057 CD2 TYR B 21 10.176 -5.451 2.003 1.00 0.00 C ATOM 1058 CE1 TYR B 21 7.919 -6.712 3.086 1.00 0.00 C ATOM 1059 CE2 TYR B 21 9.809 -5.200 3.336 1.00 0.00 C ATOM 1060 CZ TYR B 21 8.684 -5.843 3.891 1.00 0.00 C ATOM 1061 OH TYR B 21 8.332 -5.604 5.183 1.00 0.00 O ATOM 0 H TYR B 21 11.369 -7.913 1.147 1.00 0.00 H new ATOM 0 HA TYR B 21 9.266 -8.623 -0.618 1.00 0.00 H new ATOM 0 HB2 TYR B 21 10.714 -5.971 -0.462 1.00 0.00 H new ATOM 0 HB3 TYR B 21 9.043 -6.268 -0.900 1.00 0.00 H new ATOM 0 HD1 TYR B 21 7.683 -7.599 1.131 1.00 0.00 H new ATOM 0 HD2 TYR B 21 11.049 -4.968 1.591 1.00 0.00 H new ATOM 0 HE1 TYR B 21 7.051 -7.203 3.500 1.00 0.00 H new ATOM 0 HE2 TYR B 21 10.389 -4.514 3.936 1.00 0.00 H new ATOM 0 HH TYR B 21 8.972 -4.982 5.587 1.00 0.00 H new ATOM 1071 N SER B 22 10.206 -8.550 -2.985 1.00 0.00 N ATOM 1072 CA SER B 22 10.793 -8.643 -4.315 1.00 0.00 C ATOM 1073 C SER B 22 10.824 -7.250 -4.922 1.00 0.00 C ATOM 1074 O SER B 22 9.960 -6.418 -4.638 1.00 0.00 O ATOM 1075 CB SER B 22 9.962 -9.580 -5.199 1.00 0.00 C ATOM 1076 OG SER B 22 10.623 -9.924 -6.401 1.00 0.00 O ATOM 0 H SER B 22 9.225 -8.826 -2.941 1.00 0.00 H new ATOM 0 HA SER B 22 11.803 -9.046 -4.246 1.00 0.00 H new ATOM 0 HB2 SER B 22 9.732 -10.489 -4.643 1.00 0.00 H new ATOM 0 HB3 SER B 22 9.012 -9.102 -5.436 1.00 0.00 H new ATOM 0 HG SER B 22 10.054 -10.523 -6.928 1.00 0.00 H new ATOM 1082 N TYR B 23 11.769 -7.029 -5.831 1.00 0.00 N ATOM 1083 CA TYR B 23 11.945 -5.770 -6.527 1.00 0.00 C ATOM 1084 C TYR B 23 10.645 -5.300 -7.179 1.00 0.00 C ATOM 1085 O TYR B 23 10.348 -4.109 -7.096 1.00 0.00 O ATOM 1086 CB TYR B 23 13.060 -5.918 -7.560 1.00 0.00 C ATOM 1087 CG TYR B 23 13.256 -4.685 -8.415 1.00 0.00 C ATOM 1088 CD1 TYR B 23 13.723 -3.490 -7.837 1.00 0.00 C ATOM 1089 CD2 TYR B 23 12.976 -4.736 -9.793 1.00 0.00 C ATOM 1090 CE1 TYR B 23 13.943 -2.357 -8.636 1.00 0.00 C ATOM 1091 CE2 TYR B 23 13.180 -3.602 -10.595 1.00 0.00 C ATOM 1092 CZ TYR B 23 13.679 -2.411 -10.025 1.00 0.00 C ATOM 1093 OH TYR B 23 13.911 -1.337 -10.825 1.00 0.00 O ATOM 0 H TYR B 23 12.446 -7.740 -6.106 1.00 0.00 H new ATOM 0 HA TYR B 23 12.226 -5.005 -5.803 1.00 0.00 H new ATOM 0 HB2 TYR B 23 13.993 -6.146 -7.046 1.00 0.00 H new ATOM 0 HB3 TYR B 23 12.836 -6.767 -8.206 1.00 0.00 H new ATOM 0 HD1 TYR B 23 13.913 -3.444 -6.775 1.00 0.00 H new ATOM 0 HD2 TYR B 23 12.604 -5.649 -10.234 1.00 0.00 H new ATOM 0 HE1 TYR B 23 14.313 -1.445 -8.191 1.00 0.00 H new ATOM 0 HE2 TYR B 23 12.955 -3.641 -11.651 1.00 0.00 H new ATOM 0 HH TYR B 23 13.672 -1.560 -11.749 1.00 0.00 H new ATOM 1103 N GLN B 24 9.872 -6.204 -7.800 1.00 0.00 N ATOM 1104 CA GLN B 24 8.619 -5.809 -8.440 1.00 0.00 C ATOM 1105 C GLN B 24 7.700 -5.162 -7.408 1.00 0.00 C ATOM 1106 O GLN B 24 7.255 -4.033 -7.593 1.00 0.00 O ATOM 1107 CB GLN B 24 7.902 -6.999 -9.092 1.00 0.00 C ATOM 1108 CG GLN B 24 8.486 -7.416 -10.450 1.00 0.00 C ATOM 1109 CD GLN B 24 7.563 -8.394 -11.188 1.00 0.00 C ATOM 1110 OE1 GLN B 24 6.600 -8.925 -10.631 1.00 0.00 O ATOM 1111 NE2 GLN B 24 7.798 -8.652 -12.459 1.00 0.00 N ATOM 0 H GLN B 24 10.092 -7.198 -7.870 1.00 0.00 H new ATOM 0 HA GLN B 24 8.862 -5.097 -9.229 1.00 0.00 H new ATOM 0 HB2 GLN B 24 7.944 -7.851 -8.413 1.00 0.00 H new ATOM 0 HB3 GLN B 24 6.849 -6.748 -9.223 1.00 0.00 H new ATOM 0 HG2 GLN B 24 8.645 -6.530 -11.065 1.00 0.00 H new ATOM 0 HG3 GLN B 24 9.461 -7.879 -10.300 1.00 0.00 H new ATOM 0 HE21 GLN B 24 8.592 -8.218 -12.929 1.00 0.00 H new ATOM 0 HE22 GLN B 24 7.186 -9.286 -12.972 1.00 0.00 H new ATOM 1120 N ASP B 25 7.433 -5.869 -6.311 1.00 0.00 N ATOM 1121 CA ASP B 25 6.570 -5.405 -5.236 1.00 0.00 C ATOM 1122 C ASP B 25 7.113 -4.109 -4.634 1.00 0.00 C ATOM 1123 O ASP B 25 6.338 -3.191 -4.381 1.00 0.00 O ATOM 1124 CB ASP B 25 6.403 -6.502 -4.180 1.00 0.00 C ATOM 1125 CG ASP B 25 5.643 -7.710 -4.730 1.00 0.00 C ATOM 1126 OD1 ASP B 25 4.390 -7.742 -4.732 1.00 0.00 O ATOM 1127 OD2 ASP B 25 6.329 -8.661 -5.171 1.00 0.00 O ATOM 0 H ASP B 25 7.820 -6.798 -6.145 1.00 0.00 H new ATOM 0 HA ASP B 25 5.582 -5.185 -5.641 1.00 0.00 H new ATOM 0 HB2 ASP B 25 7.384 -6.820 -3.828 1.00 0.00 H new ATOM 0 HB3 ASP B 25 5.870 -6.099 -3.319 1.00 0.00 H new ATOM 1132 N ILE B 26 8.429 -3.977 -4.427 1.00 0.00 N ATOM 1133 CA ILE B 26 9.006 -2.751 -3.867 1.00 0.00 C ATOM 1134 C ILE B 26 8.643 -1.578 -4.784 1.00 0.00 C ATOM 1135 O ILE B 26 8.220 -0.526 -4.298 1.00 0.00 O ATOM 1136 CB ILE B 26 10.532 -2.872 -3.647 1.00 0.00 C ATOM 1137 CG1 ILE B 26 10.870 -3.950 -2.596 1.00 0.00 C ATOM 1138 CG2 ILE B 26 11.105 -1.519 -3.173 1.00 0.00 C ATOM 1139 CD1 ILE B 26 12.319 -4.445 -2.715 1.00 0.00 C ATOM 0 H ILE B 26 9.113 -4.704 -4.639 1.00 0.00 H new ATOM 0 HA ILE B 26 8.585 -2.575 -2.877 1.00 0.00 H new ATOM 0 HB ILE B 26 10.978 -3.160 -4.599 1.00 0.00 H new ATOM 0 HG12 ILE B 26 10.708 -3.544 -1.597 1.00 0.00 H new ATOM 0 HG13 ILE B 26 10.189 -4.793 -2.712 1.00 0.00 H new ATOM 0 HG21 ILE B 26 12.180 -1.613 -3.020 1.00 0.00 H new ATOM 0 HG22 ILE B 26 10.911 -0.757 -3.928 1.00 0.00 H new ATOM 0 HG23 ILE B 26 10.629 -1.231 -2.236 1.00 0.00 H new ATOM 0 HD11 ILE B 26 12.508 -5.202 -1.954 1.00 0.00 H new ATOM 0 HD12 ILE B 26 12.476 -4.876 -3.704 1.00 0.00 H new ATOM 0 HD13 ILE B 26 13.002 -3.608 -2.572 1.00 0.00 H new ATOM 1151 N GLN B 27 8.830 -1.736 -6.098 1.00 0.00 N ATOM 1152 CA GLN B 27 8.496 -0.690 -7.051 1.00 0.00 C ATOM 1153 C GLN B 27 6.988 -0.425 -6.992 1.00 0.00 C ATOM 1154 O GLN B 27 6.613 0.727 -6.813 1.00 0.00 O ATOM 1155 CB GLN B 27 9.000 -1.034 -8.465 1.00 0.00 C ATOM 1156 CG GLN B 27 10.535 -1.151 -8.597 1.00 0.00 C ATOM 1157 CD GLN B 27 11.271 0.183 -8.479 1.00 0.00 C ATOM 1158 OE1 GLN B 27 11.382 0.729 -7.281 1.00 0.00 O flip ATOM 1159 NE2 GLN B 27 11.804 0.739 -9.438 1.00 0.00 N flip ATOM 0 H GLN B 27 9.212 -2.582 -6.520 1.00 0.00 H new ATOM 0 HA GLN B 27 9.009 0.234 -6.782 1.00 0.00 H new ATOM 0 HB2 GLN B 27 8.550 -1.977 -8.776 1.00 0.00 H new ATOM 0 HB3 GLN B 27 8.648 -0.269 -9.157 1.00 0.00 H new ATOM 0 HG2 GLN B 27 10.905 -1.828 -7.827 1.00 0.00 H new ATOM 0 HG3 GLN B 27 10.774 -1.602 -9.560 1.00 0.00 H new ATOM 0 HE21 GLN B 27 11.729 0.332 -10.370 1.00 0.00 H new ATOM 0 HE22 GLN B 27 12.321 1.607 -9.301 1.00 0.00 H new ATOM 1168 N LYS B 28 6.114 -1.438 -7.056 1.00 0.00 N ATOM 1169 CA LYS B 28 4.659 -1.229 -6.992 1.00 0.00 C ATOM 1170 C LYS B 28 4.269 -0.429 -5.740 1.00 0.00 C ATOM 1171 O LYS B 28 3.403 0.441 -5.814 1.00 0.00 O ATOM 1172 CB LYS B 28 3.904 -2.570 -7.033 1.00 0.00 C ATOM 1173 CG LYS B 28 4.043 -3.320 -8.373 1.00 0.00 C ATOM 1174 CD LYS B 28 3.389 -4.707 -8.290 1.00 0.00 C ATOM 1175 CE LYS B 28 3.823 -5.624 -9.445 1.00 0.00 C ATOM 1176 NZ LYS B 28 3.084 -6.907 -9.445 1.00 0.00 N ATOM 0 H LYS B 28 6.390 -2.415 -7.152 1.00 0.00 H new ATOM 0 HA LYS B 28 4.371 -0.649 -7.869 1.00 0.00 H new ATOM 0 HB2 LYS B 28 4.272 -3.208 -6.230 1.00 0.00 H new ATOM 0 HB3 LYS B 28 2.847 -2.388 -6.837 1.00 0.00 H new ATOM 0 HG2 LYS B 28 3.577 -2.740 -9.170 1.00 0.00 H new ATOM 0 HG3 LYS B 28 5.097 -3.424 -8.629 1.00 0.00 H new ATOM 0 HD2 LYS B 28 3.650 -5.174 -7.340 1.00 0.00 H new ATOM 0 HD3 LYS B 28 2.305 -4.597 -8.304 1.00 0.00 H new ATOM 0 HE2 LYS B 28 3.661 -5.113 -10.394 1.00 0.00 H new ATOM 0 HE3 LYS B 28 4.892 -5.822 -9.368 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 3.408 -7.494 -10.240 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 3.259 -7.408 -8.551 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 2.066 -6.721 -9.545 1.00 0.00 H new ATOM 1190 N ALA B 29 4.893 -0.697 -4.590 1.00 0.00 N ATOM 1191 CA ALA B 29 4.606 0.015 -3.344 1.00 0.00 C ATOM 1192 C ALA B 29 4.968 1.489 -3.518 1.00 0.00 C ATOM 1193 O ALA B 29 4.179 2.361 -3.156 1.00 0.00 O ATOM 1194 CB ALA B 29 5.369 -0.588 -2.157 1.00 0.00 C ATOM 0 H ALA B 29 5.612 -1.415 -4.498 1.00 0.00 H new ATOM 0 HA ALA B 29 3.543 -0.083 -3.125 1.00 0.00 H new ATOM 0 HB1 ALA B 29 5.130 -0.032 -1.250 1.00 0.00 H new ATOM 0 HB2 ALA B 29 5.079 -1.631 -2.030 1.00 0.00 H new ATOM 0 HB3 ALA B 29 6.441 -0.530 -2.346 1.00 0.00 H new ATOM 1200 N LEU B 30 6.162 1.764 -4.055 1.00 0.00 N ATOM 1201 CA LEU B 30 6.651 3.116 -4.303 1.00 0.00 C ATOM 1202 C LEU B 30 5.705 3.852 -5.241 1.00 0.00 C ATOM 1203 O LEU B 30 5.356 4.995 -4.952 1.00 0.00 O ATOM 1204 CB LEU B 30 8.079 3.082 -4.875 1.00 0.00 C ATOM 1205 CG LEU B 30 9.139 2.902 -3.780 1.00 0.00 C ATOM 1206 CD1 LEU B 30 10.472 2.446 -4.373 1.00 0.00 C ATOM 1207 CD2 LEU B 30 9.363 4.225 -3.038 1.00 0.00 C ATOM 0 H LEU B 30 6.823 1.038 -4.332 1.00 0.00 H new ATOM 0 HA LEU B 30 6.684 3.655 -3.356 1.00 0.00 H new ATOM 0 HB2 LEU B 30 8.161 2.267 -5.595 1.00 0.00 H new ATOM 0 HB3 LEU B 30 8.273 4.007 -5.417 1.00 0.00 H new ATOM 0 HG LEU B 30 8.773 2.141 -3.091 1.00 0.00 H new ATOM 0 HD11 LEU B 30 11.204 2.327 -3.574 1.00 0.00 H new ATOM 0 HD12 LEU B 30 10.336 1.494 -4.885 1.00 0.00 H new ATOM 0 HD13 LEU B 30 10.829 3.192 -5.083 1.00 0.00 H new ATOM 0 HD21 LEU B 30 10.117 4.085 -2.264 1.00 0.00 H new ATOM 0 HD22 LEU B 30 9.703 4.984 -3.742 1.00 0.00 H new ATOM 0 HD23 LEU B 30 8.428 4.548 -2.580 1.00 0.00 H new ATOM 1219 N VAL B 31 5.278 3.202 -6.323 1.00 0.00 N ATOM 1220 CA VAL B 31 4.367 3.742 -7.323 1.00 0.00 C ATOM 1221 C VAL B 31 3.093 4.221 -6.633 1.00 0.00 C ATOM 1222 O VAL B 31 2.737 5.397 -6.691 1.00 0.00 O ATOM 1223 CB VAL B 31 4.094 2.677 -8.408 1.00 0.00 C ATOM 1224 CG1 VAL B 31 3.004 3.100 -9.403 1.00 0.00 C ATOM 1225 CG2 VAL B 31 5.368 2.372 -9.201 1.00 0.00 C ATOM 0 H VAL B 31 5.571 2.248 -6.532 1.00 0.00 H new ATOM 0 HA VAL B 31 4.812 4.601 -7.825 1.00 0.00 H new ATOM 0 HB VAL B 31 3.749 1.792 -7.873 1.00 0.00 H new ATOM 0 HG11 VAL B 31 2.858 2.310 -10.140 1.00 0.00 H new ATOM 0 HG12 VAL B 31 2.070 3.274 -8.868 1.00 0.00 H new ATOM 0 HG13 VAL B 31 3.309 4.016 -9.908 1.00 0.00 H new ATOM 0 HG21 VAL B 31 5.153 1.620 -9.960 1.00 0.00 H new ATOM 0 HG22 VAL B 31 5.723 3.283 -9.683 1.00 0.00 H new ATOM 0 HG23 VAL B 31 6.136 1.996 -8.525 1.00 0.00 H new ATOM 1235 N ILE B 32 2.429 3.313 -5.924 1.00 0.00 N ATOM 1236 CA ILE B 32 1.188 3.597 -5.228 1.00 0.00 C ATOM 1237 C ILE B 32 1.381 4.638 -4.116 1.00 0.00 C ATOM 1238 O ILE B 32 0.411 5.281 -3.719 1.00 0.00 O ATOM 1239 CB ILE B 32 0.587 2.265 -4.736 1.00 0.00 C ATOM 1240 CG1 ILE B 32 0.350 1.265 -5.896 1.00 0.00 C ATOM 1241 CG2 ILE B 32 -0.749 2.522 -4.034 1.00 0.00 C ATOM 1242 CD1 ILE B 32 0.257 -0.179 -5.397 1.00 0.00 C ATOM 0 H ILE B 32 2.745 2.349 -5.818 1.00 0.00 H new ATOM 0 HA ILE B 32 0.473 4.058 -5.909 1.00 0.00 H new ATOM 0 HB ILE B 32 1.308 1.827 -4.046 1.00 0.00 H new ATOM 0 HG12 ILE B 32 -0.569 1.528 -6.419 1.00 0.00 H new ATOM 0 HG13 ILE B 32 1.162 1.348 -6.618 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -1.167 1.576 -3.690 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -0.591 3.181 -3.180 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -1.442 2.992 -4.732 1.00 0.00 H new ATOM 0 HD11 ILE B 32 0.091 -0.846 -6.243 1.00 0.00 H new ATOM 0 HD12 ILE B 32 1.186 -0.452 -4.897 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -0.572 -0.269 -4.695 1.00 0.00 H new ATOM 1254 N ALA B 33 2.588 4.816 -3.572 1.00 0.00 N ATOM 1255 CA ALA B 33 2.867 5.793 -2.528 1.00 0.00 C ATOM 1256 C ALA B 33 3.281 7.141 -3.127 1.00 0.00 C ATOM 1257 O ALA B 33 3.695 8.039 -2.386 1.00 0.00 O ATOM 1258 CB ALA B 33 3.939 5.244 -1.592 1.00 0.00 C ATOM 0 H ALA B 33 3.407 4.276 -3.851 1.00 0.00 H new ATOM 0 HA ALA B 33 1.958 5.968 -1.953 1.00 0.00 H new ATOM 0 HB1 ALA B 33 4.148 5.974 -0.811 1.00 0.00 H new ATOM 0 HB2 ALA B 33 3.586 4.318 -1.138 1.00 0.00 H new ATOM 0 HB3 ALA B 33 4.850 5.047 -2.158 1.00 0.00 H new ATOM 1264 N HIS B 34 3.152 7.304 -4.447 1.00 0.00 N ATOM 1265 CA HIS B 34 3.526 8.508 -5.181 1.00 0.00 C ATOM 1266 C HIS B 34 5.012 8.788 -4.904 1.00 0.00 C ATOM 1267 O HIS B 34 5.392 9.873 -4.460 1.00 0.00 O ATOM 1268 CB HIS B 34 2.582 9.687 -4.852 1.00 0.00 C ATOM 1269 CG HIS B 34 1.101 9.379 -4.903 1.00 0.00 C ATOM 1270 ND1 HIS B 34 0.129 9.932 -4.090 1.00 0.00 N ATOM 1271 CD2 HIS B 34 0.479 8.495 -5.745 1.00 0.00 C ATOM 1272 CE1 HIS B 34 -1.052 9.400 -4.445 1.00 0.00 C ATOM 1273 NE2 HIS B 34 -0.892 8.530 -5.455 1.00 0.00 N ATOM 0 H HIS B 34 2.771 6.575 -5.050 1.00 0.00 H new ATOM 0 HA HIS B 34 3.407 8.365 -6.255 1.00 0.00 H new ATOM 0 HB2 HIS B 34 2.823 10.054 -3.854 1.00 0.00 H new ATOM 0 HB3 HIS B 34 2.789 10.499 -5.549 1.00 0.00 H new ATOM 0 HD2 HIS B 34 0.958 7.883 -6.495 1.00 0.00 H new ATOM 0 HE1 HIS B 34 -1.998 9.639 -3.983 1.00 0.00 H new ATOM 0 HE2 HIS B 34 -1.626 7.997 -5.921 1.00 0.00 H new ATOM 1281 N ASN B 35 5.854 7.768 -5.104 1.00 0.00 N ATOM 1282 CA ASN B 35 7.307 7.711 -4.925 1.00 0.00 C ATOM 1283 C ASN B 35 7.739 7.763 -3.456 1.00 0.00 C ATOM 1284 O ASN B 35 8.931 7.625 -3.193 1.00 0.00 O ATOM 1285 CB ASN B 35 8.059 8.838 -5.677 1.00 0.00 C ATOM 1286 CG ASN B 35 7.905 8.869 -7.192 1.00 0.00 C ATOM 1287 OD1 ASN B 35 6.817 9.089 -7.720 1.00 0.00 O ATOM 1288 ND2 ASN B 35 8.981 8.682 -7.935 1.00 0.00 N ATOM 0 H ASN B 35 5.496 6.870 -5.429 1.00 0.00 H new ATOM 0 HA ASN B 35 7.578 6.744 -5.349 1.00 0.00 H new ATOM 0 HB2 ASN B 35 7.721 9.796 -5.281 1.00 0.00 H new ATOM 0 HB3 ASN B 35 9.120 8.753 -5.444 1.00 0.00 H new ATOM 0 HD21 ASN B 35 8.911 8.720 -8.952 1.00 0.00 H new ATOM 0 HD22 ASN B 35 9.881 8.500 -7.492 1.00 0.00 H new ATOM 1295 N ASN B 36 6.833 7.996 -2.501 1.00 0.00 N ATOM 1296 CA ASN B 36 7.158 8.108 -1.080 1.00 0.00 C ATOM 1297 C ASN B 36 7.676 6.795 -0.478 1.00 0.00 C ATOM 1298 O ASN B 36 6.884 5.918 -0.144 1.00 0.00 O ATOM 1299 CB ASN B 36 5.950 8.665 -0.304 1.00 0.00 C ATOM 1300 CG ASN B 36 6.322 9.069 1.120 1.00 0.00 C ATOM 1301 OD1 ASN B 36 7.258 8.547 1.712 1.00 0.00 O ATOM 1302 ND2 ASN B 36 5.617 10.023 1.708 1.00 0.00 N ATOM 0 H ASN B 36 5.839 8.113 -2.699 1.00 0.00 H new ATOM 0 HA ASN B 36 7.984 8.813 -0.986 1.00 0.00 H new ATOM 0 HB2 ASN B 36 5.547 9.529 -0.832 1.00 0.00 H new ATOM 0 HB3 ASN B 36 5.161 7.914 -0.273 1.00 0.00 H new ATOM 0 HD21 ASN B 36 5.854 10.323 2.654 1.00 0.00 H new ATOM 0 HD22 ASN B 36 4.837 10.458 1.215 1.00 0.00 H new ATOM 1309 N ILE B 37 8.996 6.667 -0.310 1.00 0.00 N ATOM 1310 CA ILE B 37 9.656 5.490 0.260 1.00 0.00 C ATOM 1311 C ILE B 37 9.211 5.237 1.707 1.00 0.00 C ATOM 1312 O ILE B 37 8.993 4.082 2.063 1.00 0.00 O ATOM 1313 CB ILE B 37 11.197 5.614 0.096 1.00 0.00 C ATOM 1314 CG1 ILE B 37 12.021 4.401 0.605 1.00 0.00 C ATOM 1315 CG2 ILE B 37 11.749 6.889 0.759 1.00 0.00 C ATOM 1316 CD1 ILE B 37 12.082 3.178 -0.328 1.00 0.00 C ATOM 0 H ILE B 37 9.653 7.401 -0.575 1.00 0.00 H new ATOM 0 HA ILE B 37 9.347 4.603 -0.293 1.00 0.00 H new ATOM 0 HB ILE B 37 11.324 5.655 -0.986 1.00 0.00 H new ATOM 0 HG12 ILE B 37 13.040 4.736 0.797 1.00 0.00 H new ATOM 0 HG13 ILE B 37 11.605 4.082 1.561 1.00 0.00 H new ATOM 0 HG21 ILE B 37 12.829 6.933 0.619 1.00 0.00 H new ATOM 0 HG22 ILE B 37 11.288 7.765 0.303 1.00 0.00 H new ATOM 0 HG23 ILE B 37 11.522 6.873 1.825 1.00 0.00 H new ATOM 0 HD11 ILE B 37 12.685 2.397 0.135 1.00 0.00 H new ATOM 0 HD12 ILE B 37 11.074 2.803 -0.503 1.00 0.00 H new ATOM 0 HD13 ILE B 37 12.531 3.467 -1.278 1.00 0.00 H new ATOM 1328 N GLU B 38 9.058 6.273 2.541 1.00 0.00 N ATOM 1329 CA GLU B 38 8.650 6.130 3.944 1.00 0.00 C ATOM 1330 C GLU B 38 7.281 5.445 4.014 1.00 0.00 C ATOM 1331 O GLU B 38 7.099 4.463 4.741 1.00 0.00 O ATOM 1332 CB GLU B 38 8.607 7.498 4.667 1.00 0.00 C ATOM 1333 CG GLU B 38 9.970 8.201 4.737 1.00 0.00 C ATOM 1334 CD GLU B 38 9.897 9.600 5.374 1.00 0.00 C ATOM 1335 OE1 GLU B 38 9.624 10.578 4.644 1.00 0.00 O ATOM 1336 OE2 GLU B 38 10.201 9.768 6.580 1.00 0.00 O ATOM 0 H GLU B 38 9.215 7.241 2.259 1.00 0.00 H new ATOM 0 HA GLU B 38 9.391 5.515 4.454 1.00 0.00 H new ATOM 0 HB2 GLU B 38 7.898 8.148 4.154 1.00 0.00 H new ATOM 0 HB3 GLU B 38 8.231 7.352 5.680 1.00 0.00 H new ATOM 0 HG2 GLU B 38 10.661 7.583 5.310 1.00 0.00 H new ATOM 0 HG3 GLU B 38 10.379 8.288 3.730 1.00 0.00 H new ATOM 1343 N MET B 39 6.343 5.969 3.227 1.00 0.00 N ATOM 1344 CA MET B 39 4.970 5.508 3.097 1.00 0.00 C ATOM 1345 C MET B 39 4.969 4.102 2.509 1.00 0.00 C ATOM 1346 O MET B 39 4.405 3.191 3.103 1.00 0.00 O ATOM 1347 CB MET B 39 4.231 6.513 2.206 1.00 0.00 C ATOM 1348 CG MET B 39 2.707 6.423 2.131 1.00 0.00 C ATOM 1349 SD MET B 39 2.043 7.867 1.240 1.00 0.00 S ATOM 1350 CE MET B 39 0.292 7.845 1.721 1.00 0.00 C ATOM 0 H MET B 39 6.537 6.773 2.630 1.00 0.00 H new ATOM 0 HA MET B 39 4.463 5.453 4.061 1.00 0.00 H new ATOM 0 HB2 MET B 39 4.490 7.515 2.548 1.00 0.00 H new ATOM 0 HB3 MET B 39 4.621 6.411 1.193 1.00 0.00 H new ATOM 0 HG2 MET B 39 2.413 5.505 1.623 1.00 0.00 H new ATOM 0 HG3 MET B 39 2.287 6.380 3.136 1.00 0.00 H new ATOM 0 HE1 MET B 39 -0.187 8.768 1.393 1.00 0.00 H new ATOM 0 HE2 MET B 39 -0.203 6.993 1.254 1.00 0.00 H new ATOM 0 HE3 MET B 39 0.213 7.761 2.805 1.00 0.00 H new ATOM 1360 N ALA B 40 5.636 3.894 1.369 1.00 0.00 N ATOM 1361 CA ALA B 40 5.726 2.607 0.688 1.00 0.00 C ATOM 1362 C ALA B 40 6.258 1.518 1.623 1.00 0.00 C ATOM 1363 O ALA B 40 5.792 0.380 1.575 1.00 0.00 O ATOM 1364 CB ALA B 40 6.603 2.759 -0.554 1.00 0.00 C ATOM 0 H ALA B 40 6.140 4.638 0.886 1.00 0.00 H new ATOM 0 HA ALA B 40 4.728 2.293 0.381 1.00 0.00 H new ATOM 0 HB1 ALA B 40 6.675 1.801 -1.068 1.00 0.00 H new ATOM 0 HB2 ALA B 40 6.161 3.498 -1.223 1.00 0.00 H new ATOM 0 HB3 ALA B 40 7.599 3.087 -0.258 1.00 0.00 H new ATOM 1370 N LYS B 41 7.248 1.839 2.465 1.00 0.00 N ATOM 1371 CA LYS B 41 7.812 0.884 3.418 1.00 0.00 C ATOM 1372 C LYS B 41 6.725 0.450 4.395 1.00 0.00 C ATOM 1373 O LYS B 41 6.666 -0.730 4.729 1.00 0.00 O ATOM 1374 CB LYS B 41 8.990 1.511 4.173 1.00 0.00 C ATOM 1375 CG LYS B 41 10.268 1.489 3.329 1.00 0.00 C ATOM 1376 CD LYS B 41 11.348 2.347 3.976 1.00 0.00 C ATOM 1377 CE LYS B 41 12.686 2.275 3.232 1.00 0.00 C ATOM 1378 NZ LYS B 41 13.694 1.425 3.905 1.00 0.00 N ATOM 0 H LYS B 41 7.677 2.764 2.503 1.00 0.00 H new ATOM 0 HA LYS B 41 8.182 0.013 2.878 1.00 0.00 H new ATOM 0 HB2 LYS B 41 8.747 2.539 4.441 1.00 0.00 H new ATOM 0 HB3 LYS B 41 9.157 0.970 5.104 1.00 0.00 H new ATOM 0 HG2 LYS B 41 10.624 0.464 3.223 1.00 0.00 H new ATOM 0 HG3 LYS B 41 10.055 1.857 2.326 1.00 0.00 H new ATOM 0 HD2 LYS B 41 11.011 3.383 4.010 1.00 0.00 H new ATOM 0 HD3 LYS B 41 11.493 2.025 5.007 1.00 0.00 H new ATOM 0 HE2 LYS B 41 12.513 1.891 2.227 1.00 0.00 H new ATOM 0 HE3 LYS B 41 13.087 3.283 3.124 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 14.647 1.785 3.695 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 13.535 1.445 4.933 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 13.609 0.447 3.561 1.00 0.00 H new ATOM 1392 N ASN B 42 5.877 1.379 4.854 1.00 0.00 N ATOM 1393 CA ASN B 42 4.793 1.051 5.774 1.00 0.00 C ATOM 1394 C ASN B 42 3.850 0.055 5.100 1.00 0.00 C ATOM 1395 O ASN B 42 3.418 -0.883 5.766 1.00 0.00 O ATOM 1396 CB ASN B 42 4.006 2.292 6.239 1.00 0.00 C ATOM 1397 CG ASN B 42 4.756 3.192 7.207 1.00 0.00 C ATOM 1398 OD1 ASN B 42 5.645 2.754 7.933 1.00 0.00 O ATOM 1399 ND2 ASN B 42 4.374 4.454 7.295 1.00 0.00 N ATOM 0 H ASN B 42 5.925 2.365 4.599 1.00 0.00 H new ATOM 0 HA ASN B 42 5.239 0.612 6.667 1.00 0.00 H new ATOM 0 HB2 ASN B 42 3.725 2.877 5.363 1.00 0.00 H new ATOM 0 HB3 ASN B 42 3.081 1.963 6.712 1.00 0.00 H new ATOM 0 HD21 ASN B 42 4.818 5.075 7.971 1.00 0.00 H new ATOM 0 HD22 ASN B 42 3.635 4.807 6.687 1.00 0.00 H new ATOM 1406 N ILE B 43 3.554 0.227 3.801 1.00 0.00 N ATOM 1407 CA ILE B 43 2.666 -0.676 3.066 1.00 0.00 C ATOM 1408 C ILE B 43 3.261 -2.084 3.084 1.00 0.00 C ATOM 1409 O ILE B 43 2.624 -3.010 3.590 1.00 0.00 O ATOM 1410 CB ILE B 43 2.357 -0.235 1.612 1.00 0.00 C ATOM 1411 CG1 ILE B 43 2.125 1.271 1.403 1.00 0.00 C ATOM 1412 CG2 ILE B 43 1.075 -0.969 1.210 1.00 0.00 C ATOM 1413 CD1 ILE B 43 2.013 1.679 -0.067 1.00 0.00 C ATOM 0 H ILE B 43 3.923 0.993 3.237 1.00 0.00 H new ATOM 0 HA ILE B 43 1.704 -0.652 3.578 1.00 0.00 H new ATOM 0 HB ILE B 43 3.235 -0.475 1.012 1.00 0.00 H new ATOM 0 HG12 ILE B 43 1.213 1.564 1.923 1.00 0.00 H new ATOM 0 HG13 ILE B 43 2.945 1.823 1.862 1.00 0.00 H new ATOM 0 HG21 ILE B 43 0.805 -0.697 0.189 1.00 0.00 H new ATOM 0 HG22 ILE B 43 1.238 -2.045 1.268 1.00 0.00 H new ATOM 0 HG23 ILE B 43 0.267 -0.688 1.886 1.00 0.00 H new ATOM 0 HD11 ILE B 43 1.850 2.755 -0.135 1.00 0.00 H new ATOM 0 HD12 ILE B 43 2.934 1.418 -0.588 1.00 0.00 H new ATOM 0 HD13 ILE B 43 1.175 1.156 -0.527 1.00 0.00 H new ATOM 1425 N LEU B 44 4.496 -2.227 2.591 1.00 0.00 N ATOM 1426 CA LEU B 44 5.210 -3.497 2.524 1.00 0.00 C ATOM 1427 C LEU B 44 5.212 -4.166 3.894 1.00 0.00 C ATOM 1428 O LEU B 44 4.845 -5.330 4.004 1.00 0.00 O ATOM 1429 CB LEU B 44 6.648 -3.282 2.017 1.00 0.00 C ATOM 1430 CG LEU B 44 6.753 -2.894 0.530 1.00 0.00 C ATOM 1431 CD1 LEU B 44 8.170 -2.390 0.233 1.00 0.00 C ATOM 1432 CD2 LEU B 44 6.443 -4.070 -0.406 1.00 0.00 C ATOM 0 H LEU B 44 5.034 -1.444 2.221 1.00 0.00 H new ATOM 0 HA LEU B 44 4.699 -4.152 1.819 1.00 0.00 H new ATOM 0 HB2 LEU B 44 7.118 -2.502 2.616 1.00 0.00 H new ATOM 0 HB3 LEU B 44 7.218 -4.197 2.181 1.00 0.00 H new ATOM 0 HG LEU B 44 6.013 -2.115 0.347 1.00 0.00 H new ATOM 0 HD11 LEU B 44 8.245 -2.115 -0.819 1.00 0.00 H new ATOM 0 HD12 LEU B 44 8.383 -1.518 0.852 1.00 0.00 H new ATOM 0 HD13 LEU B 44 8.890 -3.178 0.455 1.00 0.00 H new ATOM 0 HD21 LEU B 44 6.531 -3.743 -1.442 1.00 0.00 H new ATOM 0 HD22 LEU B 44 7.149 -4.879 -0.219 1.00 0.00 H new ATOM 0 HD23 LEU B 44 5.429 -4.424 -0.222 1.00 0.00 H new ATOM 1444 N ARG B 45 5.565 -3.426 4.943 1.00 0.00 N ATOM 1445 CA ARG B 45 5.628 -3.906 6.319 1.00 0.00 C ATOM 1446 C ARG B 45 4.289 -4.394 6.874 1.00 0.00 C ATOM 1447 O ARG B 45 4.300 -5.229 7.779 1.00 0.00 O ATOM 1448 CB ARG B 45 6.214 -2.755 7.149 1.00 0.00 C ATOM 1449 CG ARG B 45 6.273 -2.986 8.661 1.00 0.00 C ATOM 1450 CD ARG B 45 7.199 -1.944 9.286 1.00 0.00 C ATOM 1451 NE ARG B 45 7.153 -1.989 10.752 1.00 0.00 N ATOM 1452 CZ ARG B 45 7.847 -1.179 11.556 1.00 0.00 C ATOM 1453 NH1 ARG B 45 8.861 -0.460 11.083 1.00 0.00 N ATOM 1454 NH2 ARG B 45 7.506 -1.082 12.835 1.00 0.00 N ATOM 0 H ARG B 45 5.823 -2.443 4.854 1.00 0.00 H new ATOM 0 HA ARG B 45 6.257 -4.795 6.366 1.00 0.00 H new ATOM 0 HB2 ARG B 45 7.224 -2.552 6.792 1.00 0.00 H new ATOM 0 HB3 ARG B 45 5.623 -1.859 6.960 1.00 0.00 H new ATOM 0 HG2 ARG B 45 5.275 -2.911 9.093 1.00 0.00 H new ATOM 0 HG3 ARG B 45 6.638 -3.991 8.875 1.00 0.00 H new ATOM 0 HD2 ARG B 45 8.221 -2.116 8.948 1.00 0.00 H new ATOM 0 HD3 ARG B 45 6.913 -0.950 8.943 1.00 0.00 H new ATOM 0 HE ARG B 45 6.550 -2.687 11.187 1.00 0.00 H new ATOM 0 HH11 ARG B 45 9.115 -0.524 10.097 1.00 0.00 H new ATOM 0 HH12 ARG B 45 9.384 0.155 11.706 1.00 0.00 H new ATOM 0 HH21 ARG B 45 6.720 -1.623 13.196 1.00 0.00 H new ATOM 0 HH22 ARG B 45 8.030 -0.466 13.457 1.00 0.00 H new ATOM 1468 N GLU B 46 3.154 -3.920 6.370 1.00 0.00 N ATOM 1469 CA GLU B 46 1.841 -4.320 6.872 1.00 0.00 C ATOM 1470 C GLU B 46 1.168 -5.393 6.015 1.00 0.00 C ATOM 1471 O GLU B 46 0.530 -6.280 6.577 1.00 0.00 O ATOM 1472 CB GLU B 46 0.951 -3.071 6.967 1.00 0.00 C ATOM 1473 CG GLU B 46 1.388 -2.121 8.100 1.00 0.00 C ATOM 1474 CD GLU B 46 0.843 -2.484 9.485 1.00 0.00 C ATOM 1475 OE1 GLU B 46 0.522 -3.663 9.745 1.00 0.00 O ATOM 1476 OE2 GLU B 46 0.768 -1.563 10.335 1.00 0.00 O ATOM 0 H GLU B 46 3.117 -3.249 5.603 1.00 0.00 H new ATOM 0 HA GLU B 46 1.982 -4.769 7.855 1.00 0.00 H new ATOM 0 HB2 GLU B 46 0.978 -2.536 6.018 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -0.082 -3.376 7.131 1.00 0.00 H new ATOM 0 HG2 GLU B 46 2.477 -2.108 8.145 1.00 0.00 H new ATOM 0 HG3 GLU B 46 1.067 -1.109 7.852 1.00 0.00 H new ATOM 1483 N PHE B 47 1.307 -5.332 4.690 1.00 0.00 N ATOM 1484 CA PHE B 47 0.704 -6.272 3.744 1.00 0.00 C ATOM 1485 C PHE B 47 1.661 -7.399 3.381 1.00 0.00 C ATOM 1486 O PHE B 47 1.373 -8.579 3.579 1.00 0.00 O ATOM 1487 CB PHE B 47 0.321 -5.509 2.470 1.00 0.00 C ATOM 1488 CG PHE B 47 -0.938 -4.681 2.603 1.00 0.00 C ATOM 1489 CD1 PHE B 47 -0.928 -3.450 3.287 1.00 0.00 C ATOM 1490 CD2 PHE B 47 -2.143 -5.176 2.075 1.00 0.00 C ATOM 1491 CE1 PHE B 47 -2.134 -2.771 3.521 1.00 0.00 C ATOM 1492 CE2 PHE B 47 -3.349 -4.511 2.322 1.00 0.00 C ATOM 1493 CZ PHE B 47 -3.342 -3.321 3.066 1.00 0.00 C ATOM 0 H PHE B 47 1.858 -4.606 4.232 1.00 0.00 H new ATOM 0 HA PHE B 47 -0.174 -6.716 4.213 1.00 0.00 H new ATOM 0 HB2 PHE B 47 1.146 -4.854 2.189 1.00 0.00 H new ATOM 0 HB3 PHE B 47 0.190 -6.223 1.657 1.00 0.00 H new ATOM 0 HD1 PHE B 47 0.005 -3.029 3.631 1.00 0.00 H new ATOM 0 HD2 PHE B 47 -2.138 -6.074 1.476 1.00 0.00 H new ATOM 0 HE1 PHE B 47 -2.132 -1.829 4.049 1.00 0.00 H new ATOM 0 HE2 PHE B 47 -4.278 -4.910 1.943 1.00 0.00 H new ATOM 0 HZ PHE B 47 -4.274 -2.824 3.290 1.00 0.00 H new ATOM 1503 N SER B 48 2.800 -7.026 2.804 1.00 0.00 N ATOM 1504 CA SER B 48 3.834 -7.953 2.382 1.00 0.00 C ATOM 1505 C SER B 48 4.596 -8.522 3.594 1.00 0.00 C ATOM 1506 O SER B 48 5.409 -9.437 3.440 1.00 0.00 O ATOM 1507 CB SER B 48 4.715 -7.224 1.354 1.00 0.00 C ATOM 1508 OG SER B 48 5.213 -8.123 0.386 1.00 0.00 O ATOM 0 H SER B 48 3.030 -6.050 2.615 1.00 0.00 H new ATOM 0 HA SER B 48 3.413 -8.834 1.897 1.00 0.00 H new ATOM 0 HB2 SER B 48 4.136 -6.441 0.864 1.00 0.00 H new ATOM 0 HB3 SER B 48 5.546 -6.735 1.863 1.00 0.00 H new ATOM 0 HG SER B 48 5.769 -7.636 -0.257 1.00 0.00 H new ATOM 1514 N GLY B 49 4.356 -7.990 4.795 1.00 0.00 N ATOM 1515 CA GLY B 49 4.944 -8.384 6.062 1.00 0.00 C ATOM 1516 C GLY B 49 3.986 -9.335 6.782 1.00 0.00 C ATOM 1517 O GLY B 49 2.862 -9.556 6.325 1.00 0.00 O ATOM 0 H GLY B 49 3.698 -7.219 4.907 1.00 0.00 H new ATOM 0 HA2 GLY B 49 5.904 -8.872 5.896 1.00 0.00 H new ATOM 0 HA3 GLY B 49 5.135 -7.505 6.678 1.00 0.00 H new ATOM 1521 N PRO B 50 4.389 -9.924 7.911 1.00 0.00 N ATOM 1522 CA PRO B 50 3.554 -10.853 8.655 1.00 0.00 C ATOM 1523 C PRO B 50 2.380 -10.162 9.373 1.00 0.00 C ATOM 1524 O PRO B 50 2.535 -9.630 10.474 1.00 0.00 O ATOM 1525 CB PRO B 50 4.522 -11.541 9.615 1.00 0.00 C ATOM 1526 CG PRO B 50 5.566 -10.456 9.900 1.00 0.00 C ATOM 1527 CD PRO B 50 5.687 -9.762 8.547 1.00 0.00 C ATOM 0 HA PRO B 50 3.054 -11.567 8.001 1.00 0.00 H new ATOM 0 HB2 PRO B 50 4.021 -11.867 10.527 1.00 0.00 H new ATOM 0 HB3 PRO B 50 4.973 -12.426 9.166 1.00 0.00 H new ATOM 0 HG2 PRO B 50 5.238 -9.770 10.681 1.00 0.00 H new ATOM 0 HG3 PRO B 50 6.516 -10.880 10.226 1.00 0.00 H new ATOM 0 HD2 PRO B 50 5.936 -8.708 8.667 1.00 0.00 H new ATOM 0 HD3 PRO B 50 6.478 -10.210 7.945 1.00 0.00 H new ATOM 1535 N SER B 51 1.185 -10.219 8.783 1.00 0.00 N ATOM 1536 CA SER B 51 -0.052 -9.646 9.320 1.00 0.00 C ATOM 1537 C SER B 51 -0.659 -10.597 10.382 1.00 0.00 C ATOM 1538 O SER B 51 -1.877 -10.793 10.429 1.00 0.00 O ATOM 1539 CB SER B 51 -1.000 -9.366 8.134 1.00 0.00 C ATOM 1540 OG SER B 51 -2.104 -8.559 8.504 1.00 0.00 O ATOM 0 H SER B 51 1.046 -10.682 7.885 1.00 0.00 H new ATOM 0 HA SER B 51 0.133 -8.703 9.834 1.00 0.00 H new ATOM 0 HB2 SER B 51 -0.444 -8.873 7.337 1.00 0.00 H new ATOM 0 HB3 SER B 51 -1.363 -10.312 7.732 1.00 0.00 H new ATOM 0 HG SER B 51 -2.528 -8.932 9.305 1.00 0.00 H new ATOM 1546 N SER B 52 0.172 -11.298 11.163 1.00 0.00 N ATOM 1547 CA SER B 52 -0.180 -12.249 12.219 1.00 0.00 C ATOM 1548 C SER B 52 1.078 -12.548 13.060 1.00 0.00 C ATOM 1549 O SER B 52 2.129 -11.918 12.884 1.00 0.00 O ATOM 1550 CB SER B 52 -0.746 -13.543 11.595 1.00 0.00 C ATOM 1551 OG SER B 52 -2.059 -13.376 11.092 1.00 0.00 O ATOM 0 H SER B 52 1.183 -11.207 11.064 1.00 0.00 H new ATOM 0 HA SER B 52 -0.948 -11.823 12.865 1.00 0.00 H new ATOM 0 HB2 SER B 52 -0.090 -13.870 10.788 1.00 0.00 H new ATOM 0 HB3 SER B 52 -0.746 -14.334 12.345 1.00 0.00 H new ATOM 0 HG SER B 52 -2.244 -12.421 10.971 1.00 0.00 H new ATOM 1557 N GLY B 53 1.002 -13.532 13.961 1.00 0.00 N ATOM 1558 CA GLY B 53 2.086 -13.959 14.834 1.00 0.00 C ATOM 1559 C GLY B 53 1.861 -13.360 16.195 1.00 0.00 C ATOM 1560 O GLY B 53 0.792 -13.626 16.775 1.00 0.00 O ATOM 0 H GLY B 53 0.148 -14.071 14.103 1.00 0.00 H new ATOM 0 HA2 GLY B 53 2.116 -15.047 14.898 1.00 0.00 H new ATOM 0 HA3 GLY B 53 3.047 -13.637 14.432 1.00 0.00 H new TER 1564 GLY B 53