USER MOD reduce.3.24.130724 H: found=0, std=0, add=1312, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1330 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 143 TYR OH : rot 180:sc= 0.119 USER MOD Set 1.2: A 152 ASN : amide:sc= 0.0874 K(o=0.21,f=-1.3) USER MOD Set 2.1: A 71 TYR OH : rot -125:sc= 1.03 USER MOD Set 2.2: A 140 GLN : amide:sc= 0.419 K(o=1.4,f=-2.3) USER MOD Set 3.1: A 8 THR OG1 : rot -58:sc= 1.33 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -114:sc= 0.0322 (180deg=-0.314) USER MOD Single : A 2 ASN : amide:sc= -0.0376 K(o=-0.038,f=-2.4!) USER MOD Single : A 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc=-0.00967 X(o=-0.0097,f=0) USER MOD Single : A 16 GLN : amide:sc= -0.584 K(o=-0.58,f=-2.2!) USER MOD Single : A 17 THR OG1 : rot 117:sc= 1.11 USER MOD Single : A 19 GLN : amide:sc=-0.000252 X(o=-0.00025,f=0) USER MOD Single : A 20 GLN : amide:sc= -1.19 K(o=-1.2,f=-2.2!) USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 24 TYR OH : rot -53:sc= 0.0889 USER MOD Single : A 27 TYR OH : rot 150:sc= -0.311 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.00385 USER MOD Single : A 34 HIS : no HD1:sc= -0.0272 X(o=-0.027,f=-0.2) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -178:sc= 1.16 (180deg=1.16) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.0159 X(o=-0.016,f=0) USER MOD Single : A 59 SER OG : rot 171:sc= -0.0026 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 68 HIS : no HD1:sc= -1.6 X(o=-1.6,f=-1.4) USER MOD Single : A 73 MET CE :methyl 171:sc= 0 (180deg=-0.15) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= -0.0286 (180deg=-0.0286) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.274 X(o=-0.27,f=-0.049) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 38:sc= 0.0803 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 HIS : no HD1:sc= -0.0134 X(o=-0.013,f=-0.28) USER MOD Single : A 109 THR OG1 : rot -17:sc= -3.38! USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 119 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 134 TYR OH : rot 180:sc= 0 USER MOD Single : A 138 THR OG1 : rot 180:sc= 0 USER MOD Single : A 141 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 142 THR OG1 : rot 180:sc= -1.09 USER MOD Single : A 147 THR OG1 : rot 180:sc= 0 USER MOD Single : A 148 TYR OH : rot 180:sc= 0 USER MOD Single : A 149 ASN : amide:sc= -0.441 K(o=-0.44,f=-3!) USER MOD Single : A 150 ASN : amide:sc= -0.692 K(o=-0.69,f=-4.3!) USER MOD Single : A 154 TYR OH : rot 180:sc= 0 USER MOD Single : A 158 MET CE :methyl -149:sc= -0.302 (180deg=-1.27!) USER MOD Single : A 161 GLN : amide:sc= -0.297 K(o=-0.3,f=-1.6!) USER MOD Single : A 165 HIS : no HD1:sc= -1.06 X(o=-1.1,f=-0.9) USER MOD Single : A 166 HIS : no HD1:sc= -0.321 X(o=-0.32,f=-0.12) USER MOD Single : A 167 HIS : no HE2:sc= -1.09 K(o=-1.1,f=-2.2!) USER MOD Single : A 168 HIS : no HD1:sc= 0 X(o=0,f=-0.0081) USER MOD Single : A 169 HIS : no HD1:sc= -0.0626 X(o=-0.063,f=-0.2) USER MOD Single : A 170 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.425 -46.577 23.926 1.00 0.00 N ATOM 2 CA MET A 1 -4.546 -45.654 22.768 1.00 0.00 C ATOM 3 C MET A 1 -3.310 -44.770 22.636 1.00 0.00 C ATOM 4 O MET A 1 -2.582 -44.554 23.604 1.00 0.00 O ATOM 5 CB MET A 1 -5.795 -44.790 22.962 1.00 0.00 C ATOM 6 CG MET A 1 -7.096 -45.566 22.833 1.00 0.00 C ATOM 7 SD MET A 1 -8.367 -44.983 23.972 1.00 0.00 S ATOM 8 CE MET A 1 -8.132 -46.110 25.345 1.00 0.00 C ATOM 0 H1 MET A 1 -4.374 -47.558 23.584 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.562 -46.351 24.461 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.254 -46.469 24.544 1.00 0.00 H new ATOM 0 HA MET A 1 -4.631 -46.238 21.852 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.755 -44.324 23.947 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.787 -43.985 22.228 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.464 -45.483 21.810 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.904 -46.623 23.018 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.847 -45.877 26.134 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.287 -47.134 25.006 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.118 -46.006 25.732 1.00 0.00 H new ATOM 20 N ASN A 2 -3.079 -44.261 21.429 1.00 0.00 N ATOM 21 CA ASN A 2 -1.931 -43.400 21.172 1.00 0.00 C ATOM 22 C ASN A 2 -2.335 -41.928 21.199 1.00 0.00 C ATOM 23 O ASN A 2 -1.728 -41.095 20.526 1.00 0.00 O ATOM 24 CB ASN A 2 -1.302 -43.747 19.819 1.00 0.00 C ATOM 25 CG ASN A 2 0.002 -44.506 19.966 1.00 0.00 C ATOM 26 OD1 ASN A 2 1.083 -43.917 19.937 1.00 0.00 O ATOM 27 ND2 ASN A 2 -0.093 -45.821 20.123 1.00 0.00 N ATOM 0 H ASN A 2 -3.671 -44.430 20.616 1.00 0.00 H new ATOM 0 HA ASN A 2 -1.197 -43.568 21.960 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -2.004 -44.345 19.238 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -1.124 -42.830 19.258 1.00 0.00 H new ATOM 0 HD21 ASN A 2 0.751 -46.385 20.226 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -1.010 -46.268 20.141 1.00 0.00 H new ATOM 34 N ALA A 3 -3.363 -41.616 21.982 1.00 0.00 N ATOM 35 CA ALA A 3 -3.849 -40.246 22.098 1.00 0.00 C ATOM 36 C ALA A 3 -2.765 -39.317 22.642 1.00 0.00 C ATOM 37 O ALA A 3 -2.841 -38.100 22.478 1.00 0.00 O ATOM 38 CB ALA A 3 -5.082 -40.198 22.986 1.00 0.00 C ATOM 0 H ALA A 3 -3.876 -42.294 22.546 1.00 0.00 H new ATOM 0 HA ALA A 3 -4.118 -39.898 21.100 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -5.434 -39.169 23.064 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -5.867 -40.819 22.553 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -4.830 -40.572 23.979 1.00 0.00 H new ATOM 44 N ASP A 4 -1.758 -39.897 23.288 1.00 0.00 N ATOM 45 CA ASP A 4 -0.663 -39.118 23.852 1.00 0.00 C ATOM 46 C ASP A 4 0.304 -38.679 22.759 1.00 0.00 C ATOM 47 O ASP A 4 0.555 -37.487 22.579 1.00 0.00 O ATOM 48 CB ASP A 4 0.081 -39.934 24.911 1.00 0.00 C ATOM 49 CG ASP A 4 0.887 -39.061 25.854 1.00 0.00 C ATOM 50 OD1 ASP A 4 0.274 -38.261 26.591 1.00 0.00 O ATOM 51 OD2 ASP A 4 2.130 -39.178 25.853 1.00 0.00 O ATOM 0 H ASP A 4 -1.678 -40.903 23.433 1.00 0.00 H new ATOM 0 HA ASP A 4 -1.084 -38.229 24.322 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -0.637 -40.518 25.486 1.00 0.00 H new ATOM 0 HB3 ASP A 4 0.747 -40.643 24.418 1.00 0.00 H new ATOM 57 N GLU A 5 0.838 -39.651 22.029 1.00 0.00 N ATOM 58 CA GLU A 5 1.772 -39.368 20.948 1.00 0.00 C ATOM 59 C GLU A 5 1.064 -38.673 19.790 1.00 0.00 C ATOM 60 O GLU A 5 1.685 -37.940 19.019 1.00 0.00 O ATOM 61 CB GLU A 5 2.427 -40.661 20.457 1.00 0.00 C ATOM 62 CG GLU A 5 3.329 -41.316 21.492 1.00 0.00 C ATOM 63 CD GLU A 5 2.699 -42.544 22.121 1.00 0.00 C ATOM 64 OE1 GLU A 5 1.702 -42.389 22.856 1.00 0.00 O ATOM 65 OE2 GLU A 5 3.204 -43.659 21.878 1.00 0.00 O ATOM 0 H GLU A 5 0.640 -40.642 22.167 1.00 0.00 H new ATOM 0 HA GLU A 5 2.545 -38.703 21.333 1.00 0.00 H new ATOM 0 HB2 GLU A 5 1.648 -41.366 20.167 1.00 0.00 H new ATOM 0 HB3 GLU A 5 3.011 -40.446 19.562 1.00 0.00 H new ATOM 0 HG2 GLU A 5 4.272 -41.596 21.022 1.00 0.00 H new ATOM 0 HG3 GLU A 5 3.565 -40.593 22.273 1.00 0.00 H new ATOM 73 N TRP A 6 -0.241 -38.906 19.673 1.00 0.00 N ATOM 74 CA TRP A 6 -1.031 -38.299 18.608 1.00 0.00 C ATOM 75 C TRP A 6 -1.223 -36.806 18.855 1.00 0.00 C ATOM 76 O TRP A 6 -1.342 -36.021 17.914 1.00 0.00 O ATOM 77 CB TRP A 6 -2.392 -38.988 18.498 1.00 0.00 C ATOM 78 CG TRP A 6 -2.401 -40.132 17.530 1.00 0.00 C ATOM 79 CD1 TRP A 6 -1.693 -40.227 16.366 1.00 0.00 C ATOM 80 CD2 TRP A 6 -3.154 -41.345 17.643 1.00 0.00 C ATOM 81 NE1 TRP A 6 -1.961 -41.425 15.748 1.00 0.00 N ATOM 82 CE2 TRP A 6 -2.854 -42.129 16.513 1.00 0.00 C ATOM 83 CE3 TRP A 6 -4.052 -41.846 18.590 1.00 0.00 C ATOM 84 CZ2 TRP A 6 -3.421 -43.384 16.304 1.00 0.00 C ATOM 85 CZ3 TRP A 6 -4.614 -43.092 18.383 1.00 0.00 C ATOM 86 CH2 TRP A 6 -4.296 -43.848 17.248 1.00 0.00 C ATOM 0 H TRP A 6 -0.772 -39.509 20.301 1.00 0.00 H new ATOM 0 HA TRP A 6 -0.489 -38.427 17.671 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -2.688 -39.352 19.482 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -3.139 -38.255 18.191 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -1.021 -39.471 15.987 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -1.561 -41.739 14.864 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -4.302 -41.270 19.468 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -3.179 -43.969 15.429 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -5.309 -43.489 19.108 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -4.751 -44.818 17.115 1.00 0.00 H new ATOM 97 N MET A 7 -1.251 -36.419 20.127 1.00 0.00 N ATOM 98 CA MET A 7 -1.428 -35.020 20.497 1.00 0.00 C ATOM 99 C MET A 7 -0.316 -34.156 19.912 1.00 0.00 C ATOM 100 O MET A 7 -0.521 -32.978 19.618 1.00 0.00 O ATOM 101 CB MET A 7 -1.457 -34.873 22.019 1.00 0.00 C ATOM 102 CG MET A 7 -1.963 -33.520 22.492 1.00 0.00 C ATOM 103 SD MET A 7 -3.760 -33.389 22.425 1.00 0.00 S ATOM 104 CE MET A 7 -4.039 -31.999 23.518 1.00 0.00 C ATOM 0 H MET A 7 -1.153 -37.055 20.918 1.00 0.00 H new ATOM 0 HA MET A 7 -2.379 -34.680 20.088 1.00 0.00 H new ATOM 0 HB2 MET A 7 -2.090 -35.655 22.439 1.00 0.00 H new ATOM 0 HB3 MET A 7 -0.452 -35.032 22.410 1.00 0.00 H new ATOM 0 HG2 MET A 7 -1.628 -33.348 23.515 1.00 0.00 H new ATOM 0 HG3 MET A 7 -1.522 -32.736 21.876 1.00 0.00 H new ATOM 0 HE1 MET A 7 -5.108 -31.794 23.580 1.00 0.00 H new ATOM 0 HE2 MET A 7 -3.656 -32.234 24.511 1.00 0.00 H new ATOM 0 HE3 MET A 7 -3.523 -31.121 23.129 1.00 0.00 H new ATOM 114 N THR A 8 0.863 -34.747 19.747 1.00 0.00 N ATOM 115 CA THR A 8 2.008 -34.029 19.197 1.00 0.00 C ATOM 116 C THR A 8 1.696 -33.488 17.806 1.00 0.00 C ATOM 117 O THR A 8 2.141 -32.401 17.437 1.00 0.00 O ATOM 118 CB THR A 8 3.230 -34.946 19.138 1.00 0.00 C ATOM 119 OG1 THR A 8 3.031 -35.987 18.197 1.00 0.00 O ATOM 120 CG2 THR A 8 3.563 -35.588 20.468 1.00 0.00 C ATOM 0 H THR A 8 1.051 -35.721 19.986 1.00 0.00 H new ATOM 0 HA THR A 8 2.225 -33.186 19.853 1.00 0.00 H new ATOM 0 HB THR A 8 4.060 -34.302 18.846 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.235 -36.503 18.443 1.00 0.00 H new ATOM 0 HG21 THR A 8 4.440 -36.225 20.355 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.771 -34.812 21.205 1.00 0.00 H new ATOM 0 HG23 THR A 8 2.718 -36.189 20.803 1.00 0.00 H new ATOM 128 N THR A 9 0.927 -34.253 17.038 1.00 0.00 N ATOM 129 CA THR A 9 0.554 -33.850 15.687 1.00 0.00 C ATOM 130 C THR A 9 -0.522 -32.769 15.721 1.00 0.00 C ATOM 131 O THR A 9 -0.472 -31.805 14.957 1.00 0.00 O ATOM 132 CB THR A 9 0.057 -35.056 14.890 1.00 0.00 C ATOM 133 OG1 THR A 9 0.968 -36.136 14.995 1.00 0.00 O ATOM 134 CG2 THR A 9 -0.139 -34.763 13.419 1.00 0.00 C ATOM 0 H THR A 9 0.550 -35.155 17.328 1.00 0.00 H new ATOM 0 HA THR A 9 1.439 -33.442 15.199 1.00 0.00 H new ATOM 0 HB THR A 9 -0.910 -35.310 15.325 1.00 0.00 H new ATOM 0 HG1 THR A 9 0.632 -36.899 14.480 1.00 0.00 H new ATOM 0 HG21 THR A 9 -0.493 -35.661 12.913 1.00 0.00 H new ATOM 0 HG22 THR A 9 -0.874 -33.967 13.301 1.00 0.00 H new ATOM 0 HG23 THR A 9 0.809 -34.449 12.981 1.00 0.00 H new ATOM 142 N PHE A 10 -1.495 -32.939 16.611 1.00 0.00 N ATOM 143 CA PHE A 10 -2.584 -31.978 16.745 1.00 0.00 C ATOM 144 C PHE A 10 -2.083 -30.667 17.342 1.00 0.00 C ATOM 145 O PHE A 10 -2.611 -29.596 17.043 1.00 0.00 O ATOM 146 CB PHE A 10 -3.698 -32.557 17.620 1.00 0.00 C ATOM 147 CG PHE A 10 -4.539 -33.585 16.918 1.00 0.00 C ATOM 148 CD1 PHE A 10 -5.607 -33.200 16.123 1.00 0.00 C ATOM 149 CD2 PHE A 10 -4.263 -34.936 17.056 1.00 0.00 C ATOM 150 CE1 PHE A 10 -6.383 -34.145 15.477 1.00 0.00 C ATOM 151 CE2 PHE A 10 -5.036 -35.884 16.414 1.00 0.00 C ATOM 152 CZ PHE A 10 -6.097 -35.488 15.623 1.00 0.00 C ATOM 0 H PHE A 10 -1.551 -33.732 17.249 1.00 0.00 H new ATOM 0 HA PHE A 10 -2.980 -31.775 15.750 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -3.255 -33.007 18.508 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -4.340 -31.745 17.961 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -5.836 -32.151 16.007 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -3.434 -35.251 17.672 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -7.212 -33.833 14.859 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -4.811 -36.934 16.530 1.00 0.00 H new ATOM 0 HZ PHE A 10 -6.702 -36.228 15.120 1.00 0.00 H new ATOM 162 N ARG A 11 -1.063 -30.760 18.189 1.00 0.00 N ATOM 163 CA ARG A 11 -0.490 -29.581 18.831 1.00 0.00 C ATOM 164 C ARG A 11 -0.040 -28.555 17.795 1.00 0.00 C ATOM 165 O ARG A 11 -0.060 -27.352 18.050 1.00 0.00 O ATOM 166 CB ARG A 11 0.693 -29.982 19.715 1.00 0.00 C ATOM 167 CG ARG A 11 1.265 -28.830 20.525 1.00 0.00 C ATOM 168 CD ARG A 11 1.827 -29.308 21.854 1.00 0.00 C ATOM 169 NE ARG A 11 1.849 -28.244 22.854 1.00 0.00 N ATOM 170 CZ ARG A 11 2.455 -28.348 24.035 1.00 0.00 C ATOM 171 NH1 ARG A 11 3.089 -29.466 24.367 1.00 0.00 N ATOM 172 NH2 ARG A 11 2.429 -27.332 24.885 1.00 0.00 N ATOM 0 H ARG A 11 -0.616 -31.640 18.447 1.00 0.00 H new ATOM 0 HA ARG A 11 -1.263 -29.126 19.450 1.00 0.00 H new ATOM 0 HB2 ARG A 11 0.376 -30.772 20.396 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.480 -30.400 19.087 1.00 0.00 H new ATOM 0 HG2 ARG A 11 2.051 -28.337 19.953 1.00 0.00 H new ATOM 0 HG3 ARG A 11 0.487 -28.088 20.704 1.00 0.00 H new ATOM 0 HD2 ARG A 11 1.227 -30.140 22.223 1.00 0.00 H new ATOM 0 HD3 ARG A 11 2.838 -29.686 21.705 1.00 0.00 H new ATOM 0 HE ARG A 11 1.372 -27.369 22.635 1.00 0.00 H new ATOM 0 HH11 ARG A 11 3.114 -30.251 23.716 1.00 0.00 H new ATOM 0 HH12 ARG A 11 3.552 -29.540 25.273 1.00 0.00 H new ATOM 0 HH21 ARG A 11 1.945 -26.470 24.635 1.00 0.00 H new ATOM 0 HH22 ARG A 11 2.893 -27.412 25.790 1.00 0.00 H new ATOM 186 N GLU A 12 0.366 -29.040 16.626 1.00 0.00 N ATOM 187 CA GLU A 12 0.821 -28.165 15.552 1.00 0.00 C ATOM 188 C GLU A 12 -0.334 -27.339 14.996 1.00 0.00 C ATOM 189 O GLU A 12 -0.188 -26.145 14.734 1.00 0.00 O ATOM 190 CB GLU A 12 1.461 -28.987 14.432 1.00 0.00 C ATOM 191 CG GLU A 12 2.654 -28.304 13.782 1.00 0.00 C ATOM 192 CD GLU A 12 2.467 -28.097 12.291 1.00 0.00 C ATOM 193 OE1 GLU A 12 3.441 -28.305 11.537 1.00 0.00 O ATOM 194 OE2 GLU A 12 1.347 -27.728 11.878 1.00 0.00 O ATOM 0 H GLU A 12 0.389 -30.034 16.399 1.00 0.00 H new ATOM 0 HA GLU A 12 1.565 -27.484 15.964 1.00 0.00 H new ATOM 0 HB2 GLU A 12 1.778 -29.949 14.834 1.00 0.00 H new ATOM 0 HB3 GLU A 12 0.710 -29.193 13.669 1.00 0.00 H new ATOM 0 HG2 GLU A 12 2.821 -27.339 14.261 1.00 0.00 H new ATOM 0 HG3 GLU A 12 3.548 -28.903 13.952 1.00 0.00 H new ATOM 202 N ASN A 13 -1.483 -27.983 14.818 1.00 0.00 N ATOM 203 CA ASN A 13 -2.664 -27.307 14.292 1.00 0.00 C ATOM 204 C ASN A 13 -3.188 -26.274 15.284 1.00 0.00 C ATOM 205 O ASN A 13 -3.571 -25.168 14.900 1.00 0.00 O ATOM 206 CB ASN A 13 -3.759 -28.326 13.970 1.00 0.00 C ATOM 207 CG ASN A 13 -3.768 -28.724 12.506 1.00 0.00 C ATOM 208 OD1 ASN A 13 -4.807 -28.688 11.847 1.00 0.00 O ATOM 209 ND2 ASN A 13 -2.605 -29.107 11.991 1.00 0.00 N ATOM 0 H ASN A 13 -1.622 -28.971 15.030 1.00 0.00 H new ATOM 0 HA ASN A 13 -2.378 -26.790 13.376 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -3.616 -29.215 14.584 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -4.730 -27.908 14.236 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -2.548 -29.387 11.012 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -1.769 -29.121 12.575 1.00 0.00 H new ATOM 216 N ILE A 14 -3.202 -26.641 16.562 1.00 0.00 N ATOM 217 CA ILE A 14 -3.678 -25.745 17.608 1.00 0.00 C ATOM 218 C ILE A 14 -2.689 -24.609 17.852 1.00 0.00 C ATOM 219 O ILE A 14 -3.078 -23.505 18.231 1.00 0.00 O ATOM 220 CB ILE A 14 -3.914 -26.500 18.931 1.00 0.00 C ATOM 221 CG1 ILE A 14 -4.759 -27.751 18.685 1.00 0.00 C ATOM 222 CG2 ILE A 14 -4.587 -25.591 19.948 1.00 0.00 C ATOM 223 CD1 ILE A 14 -6.131 -27.453 18.122 1.00 0.00 C ATOM 0 H ILE A 14 -2.889 -27.552 16.897 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.625 -25.330 17.262 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.949 -26.809 19.333 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -4.228 -28.409 17.997 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -4.870 -28.294 19.623 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.747 -26.139 20.877 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.951 -24.727 20.141 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -5.547 -25.254 19.556 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -6.674 -28.386 17.973 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -6.681 -26.821 18.819 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -6.028 -26.937 17.168 1.00 0.00 H new ATOM 235 N ALA A 15 -1.409 -24.889 17.631 1.00 0.00 N ATOM 236 CA ALA A 15 -0.364 -23.890 17.827 1.00 0.00 C ATOM 237 C ALA A 15 -0.554 -22.705 16.887 1.00 0.00 C ATOM 238 O ALA A 15 -0.616 -21.556 17.325 1.00 0.00 O ATOM 239 CB ALA A 15 1.007 -24.515 17.622 1.00 0.00 C ATOM 0 H ALA A 15 -1.070 -25.798 17.316 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.434 -23.522 18.851 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.778 -23.759 17.771 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.149 -25.324 18.339 1.00 0.00 H new ATOM 0 HB3 ALA A 15 1.079 -24.911 16.609 1.00 0.00 H new ATOM 245 N GLN A 16 -0.646 -22.992 15.593 1.00 0.00 N ATOM 246 CA GLN A 16 -0.828 -21.948 14.589 1.00 0.00 C ATOM 247 C GLN A 16 -2.193 -21.283 14.738 1.00 0.00 C ATOM 248 O GLN A 16 -2.306 -20.058 14.686 1.00 0.00 O ATOM 249 CB GLN A 16 -0.684 -22.533 13.184 1.00 0.00 C ATOM 250 CG GLN A 16 -1.671 -23.650 12.884 1.00 0.00 C ATOM 251 CD GLN A 16 -1.142 -24.634 11.859 1.00 0.00 C ATOM 252 OE1 GLN A 16 0.056 -24.677 11.581 1.00 0.00 O ATOM 253 NE2 GLN A 16 -2.038 -25.434 11.290 1.00 0.00 N ATOM 0 H GLN A 16 -0.598 -23.938 15.214 1.00 0.00 H new ATOM 0 HA GLN A 16 -0.057 -21.193 14.741 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -0.817 -21.736 12.453 1.00 0.00 H new ATOM 0 HB3 GLN A 16 0.330 -22.913 13.060 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -1.904 -24.182 13.807 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -2.604 -23.218 12.521 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -3.022 -25.365 11.550 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -1.742 -26.117 10.593 1.00 0.00 H new ATOM 262 N THR A 17 -3.227 -22.098 14.922 1.00 0.00 N ATOM 263 CA THR A 17 -4.584 -21.588 15.076 1.00 0.00 C ATOM 264 C THR A 17 -4.681 -20.652 16.278 1.00 0.00 C ATOM 265 O THR A 17 -5.368 -19.632 16.229 1.00 0.00 O ATOM 266 CB THR A 17 -5.571 -22.746 15.237 1.00 0.00 C ATOM 267 OG1 THR A 17 -5.435 -23.671 14.174 1.00 0.00 O ATOM 268 CG2 THR A 17 -7.016 -22.298 15.275 1.00 0.00 C ATOM 0 H THR A 17 -3.151 -23.114 14.968 1.00 0.00 H new ATOM 0 HA THR A 17 -4.838 -21.025 14.178 1.00 0.00 H new ATOM 0 HB THR A 17 -5.325 -23.206 16.194 1.00 0.00 H new ATOM 0 HG1 THR A 17 -5.141 -24.536 14.529 1.00 0.00 H new ATOM 0 HG21 THR A 17 -7.663 -23.167 15.391 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.165 -21.620 16.116 1.00 0.00 H new ATOM 0 HG23 THR A 17 -7.262 -21.783 14.346 1.00 0.00 H new ATOM 276 N TRP A 18 -3.989 -21.008 17.355 1.00 0.00 N ATOM 277 CA TRP A 18 -3.997 -20.201 18.569 1.00 0.00 C ATOM 278 C TRP A 18 -3.382 -18.829 18.315 1.00 0.00 C ATOM 279 O TRP A 18 -3.788 -17.834 18.915 1.00 0.00 O ATOM 280 CB TRP A 18 -3.234 -20.914 19.686 1.00 0.00 C ATOM 281 CG TRP A 18 -3.410 -20.273 21.029 1.00 0.00 C ATOM 282 CD1 TRP A 18 -4.481 -20.402 21.865 1.00 0.00 C ATOM 283 CD2 TRP A 18 -2.485 -19.402 21.691 1.00 0.00 C ATOM 284 NE1 TRP A 18 -4.280 -19.664 23.006 1.00 0.00 N ATOM 285 CE2 TRP A 18 -3.062 -19.041 22.924 1.00 0.00 C ATOM 286 CE3 TRP A 18 -1.227 -18.892 21.362 1.00 0.00 C ATOM 287 CZ2 TRP A 18 -2.423 -18.194 23.826 1.00 0.00 C ATOM 288 CZ3 TRP A 18 -0.593 -18.051 22.258 1.00 0.00 C ATOM 289 CH2 TRP A 18 -1.191 -17.711 23.477 1.00 0.00 C ATOM 0 H TRP A 18 -3.416 -21.850 17.412 1.00 0.00 H new ATOM 0 HA TRP A 18 -5.034 -20.064 18.876 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -3.567 -21.950 19.740 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -2.173 -20.933 19.437 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -5.358 -20.997 21.660 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -4.932 -19.591 23.787 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -0.758 -19.150 20.424 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -2.883 -17.928 24.766 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 0.379 -17.650 22.013 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -0.669 -17.054 24.157 1.00 0.00 H new ATOM 300 N GLN A 19 -2.400 -18.783 17.420 1.00 0.00 N ATOM 301 CA GLN A 19 -1.729 -17.532 17.085 1.00 0.00 C ATOM 302 C GLN A 19 -2.689 -16.569 16.396 1.00 0.00 C ATOM 303 O GLN A 19 -2.671 -15.365 16.658 1.00 0.00 O ATOM 304 CB GLN A 19 -0.522 -17.802 16.184 1.00 0.00 C ATOM 305 CG GLN A 19 0.601 -16.792 16.356 1.00 0.00 C ATOM 306 CD GLN A 19 1.777 -17.068 15.440 1.00 0.00 C ATOM 307 OE1 GLN A 19 1.647 -17.040 14.216 1.00 0.00 O ATOM 308 NE2 GLN A 19 2.936 -17.338 16.030 1.00 0.00 N ATOM 0 H GLN A 19 -2.051 -19.597 16.914 1.00 0.00 H new ATOM 0 HA GLN A 19 -1.385 -17.072 18.012 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -0.138 -18.800 16.394 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -0.847 -17.798 15.144 1.00 0.00 H new ATOM 0 HG2 GLN A 19 0.218 -15.791 16.158 1.00 0.00 H new ATOM 0 HG3 GLN A 19 0.941 -16.804 17.392 1.00 0.00 H new ATOM 0 HE21 GLN A 19 2.999 -17.351 17.048 1.00 0.00 H new ATOM 0 HE22 GLN A 19 3.763 -17.533 15.465 1.00 0.00 H new ATOM 317 N GLN A 20 -3.526 -17.105 15.513 1.00 0.00 N ATOM 318 CA GLN A 20 -4.493 -16.291 14.786 1.00 0.00 C ATOM 319 C GLN A 20 -3.789 -15.218 13.957 1.00 0.00 C ATOM 320 O GLN A 20 -2.597 -14.967 14.137 1.00 0.00 O ATOM 321 CB GLN A 20 -5.478 -15.640 15.760 1.00 0.00 C ATOM 322 CG GLN A 20 -6.835 -16.323 15.799 1.00 0.00 C ATOM 323 CD GLN A 20 -7.025 -17.176 17.038 1.00 0.00 C ATOM 324 OE1 GLN A 20 -7.378 -18.351 16.948 1.00 0.00 O ATOM 325 NE2 GLN A 20 -6.788 -16.586 18.204 1.00 0.00 N ATOM 0 H GLN A 20 -3.554 -18.099 15.284 1.00 0.00 H new ATOM 0 HA GLN A 20 -5.043 -16.943 14.108 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -5.047 -15.650 16.761 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -5.614 -14.595 15.482 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -7.619 -15.567 15.760 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -6.949 -16.947 14.912 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -6.497 -15.609 18.231 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -6.897 -17.110 19.072 1.00 0.00 H new ATOM 334 N PRO A 21 -4.520 -14.569 13.036 1.00 0.00 N ATOM 335 CA PRO A 21 -3.959 -13.519 12.179 1.00 0.00 C ATOM 336 C PRO A 21 -3.638 -12.248 12.957 1.00 0.00 C ATOM 337 O PRO A 21 -4.482 -11.364 13.098 1.00 0.00 O ATOM 338 CB PRO A 21 -5.073 -13.256 11.162 1.00 0.00 C ATOM 339 CG PRO A 21 -6.325 -13.660 11.858 1.00 0.00 C ATOM 340 CD PRO A 21 -5.950 -14.807 12.756 1.00 0.00 C ATOM 0 HA PRO A 21 -3.015 -13.823 11.727 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -5.103 -12.206 10.871 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -4.922 -13.835 10.251 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -6.735 -12.831 12.435 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -7.090 -13.959 11.142 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -6.543 -14.812 13.670 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -6.109 -15.768 12.268 1.00 0.00 H new ATOM 348 N GLU A 22 -2.411 -12.164 13.462 1.00 0.00 N ATOM 349 CA GLU A 22 -1.977 -11.000 14.226 1.00 0.00 C ATOM 350 C GLU A 22 -0.597 -10.536 13.775 1.00 0.00 C ATOM 351 O GLU A 22 0.183 -10.011 14.571 1.00 0.00 O ATOM 352 CB GLU A 22 -1.956 -11.326 15.722 1.00 0.00 C ATOM 353 CG GLU A 22 -3.274 -11.043 16.424 1.00 0.00 C ATOM 354 CD GLU A 22 -3.241 -9.759 17.229 1.00 0.00 C ATOM 355 OE1 GLU A 22 -3.948 -9.684 18.256 1.00 0.00 O ATOM 356 OE2 GLU A 22 -2.508 -8.829 16.834 1.00 0.00 O ATOM 0 H GLU A 22 -1.700 -12.888 13.356 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.687 -10.193 14.046 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.703 -12.378 15.853 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.167 -10.746 16.201 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.071 -10.982 15.683 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.516 -11.876 17.085 1.00 0.00 H new ATOM 364 N HIS A 23 -0.299 -10.735 12.496 1.00 0.00 N ATOM 365 CA HIS A 23 0.989 -10.336 11.939 1.00 0.00 C ATOM 366 C HIS A 23 1.153 -8.820 11.976 1.00 0.00 C ATOM 367 O HIS A 23 0.219 -8.078 11.673 1.00 0.00 O ATOM 368 CB HIS A 23 1.124 -10.840 10.501 1.00 0.00 C ATOM 369 CG HIS A 23 1.687 -12.224 10.403 1.00 0.00 C ATOM 370 ND1 HIS A 23 2.999 -12.480 10.062 1.00 0.00 N ATOM 371 CD2 HIS A 23 1.110 -13.432 10.604 1.00 0.00 C ATOM 372 CE1 HIS A 23 3.203 -13.786 10.057 1.00 0.00 C ATOM 373 NE2 HIS A 23 2.073 -14.386 10.384 1.00 0.00 N ATOM 0 H HIS A 23 -0.932 -11.170 11.825 1.00 0.00 H new ATOM 0 HA HIS A 23 1.774 -10.783 12.549 1.00 0.00 H new ATOM 0 HB2 HIS A 23 0.144 -10.820 10.024 1.00 0.00 H new ATOM 0 HB3 HIS A 23 1.764 -10.156 9.943 1.00 0.00 H new ATOM 0 HD2 HIS A 23 0.083 -13.612 10.885 1.00 0.00 H new ATOM 0 HE1 HIS A 23 4.136 -14.279 9.825 1.00 0.00 H new ATOM 0 HE2 HIS A 23 1.937 -15.394 10.461 1.00 0.00 H new ATOM 382 N TYR A 24 2.345 -8.368 12.348 1.00 0.00 N ATOM 383 CA TYR A 24 2.633 -6.941 12.425 1.00 0.00 C ATOM 384 C TYR A 24 3.538 -6.507 11.277 1.00 0.00 C ATOM 385 O TYR A 24 4.642 -7.026 11.114 1.00 0.00 O ATOM 386 CB TYR A 24 3.289 -6.602 13.764 1.00 0.00 C ATOM 387 CG TYR A 24 2.356 -6.731 14.948 1.00 0.00 C ATOM 388 CD1 TYR A 24 1.891 -7.974 15.359 1.00 0.00 C ATOM 389 CD2 TYR A 24 1.941 -5.609 15.654 1.00 0.00 C ATOM 390 CE1 TYR A 24 1.039 -8.095 16.440 1.00 0.00 C ATOM 391 CE2 TYR A 24 1.088 -5.722 16.737 1.00 0.00 C ATOM 392 CZ TYR A 24 0.641 -6.966 17.125 1.00 0.00 C ATOM 393 OH TYR A 24 -0.207 -7.083 18.202 1.00 0.00 O ATOM 0 H TYR A 24 3.128 -8.970 12.601 1.00 0.00 H new ATOM 0 HA TYR A 24 1.690 -6.401 12.345 1.00 0.00 H new ATOM 0 HB2 TYR A 24 4.146 -7.258 13.915 1.00 0.00 H new ATOM 0 HB3 TYR A 24 3.671 -5.582 13.723 1.00 0.00 H new ATOM 0 HD1 TYR A 24 2.201 -8.860 14.825 1.00 0.00 H new ATOM 0 HD2 TYR A 24 2.290 -4.632 15.352 1.00 0.00 H new ATOM 0 HE1 TYR A 24 0.687 -9.069 16.747 1.00 0.00 H new ATOM 0 HE2 TYR A 24 0.774 -4.840 17.275 1.00 0.00 H new ATOM 0 HH TYR A 24 -1.000 -7.595 17.940 1.00 0.00 H new ATOM 403 N ASP A 25 3.065 -5.552 10.484 1.00 0.00 N ATOM 404 CA ASP A 25 3.833 -5.048 9.351 1.00 0.00 C ATOM 405 C ASP A 25 4.162 -3.569 9.530 1.00 0.00 C ATOM 406 O ASP A 25 3.269 -2.724 9.568 1.00 0.00 O ATOM 407 CB ASP A 25 3.056 -5.253 8.049 1.00 0.00 C ATOM 408 CG ASP A 25 2.604 -6.689 7.866 1.00 0.00 C ATOM 409 OD1 ASP A 25 1.531 -6.902 7.262 1.00 0.00 O ATOM 410 OD2 ASP A 25 3.323 -7.601 8.325 1.00 0.00 O ATOM 0 H ASP A 25 2.153 -5.111 10.605 1.00 0.00 H new ATOM 0 HA ASP A 25 4.767 -5.607 9.302 1.00 0.00 H new ATOM 0 HB2 ASP A 25 2.185 -4.597 8.041 1.00 0.00 H new ATOM 0 HB3 ASP A 25 3.682 -4.962 7.206 1.00 0.00 H new ATOM 416 N LEU A 26 5.452 -3.265 9.642 1.00 0.00 N ATOM 417 CA LEU A 26 5.900 -1.890 9.818 1.00 0.00 C ATOM 418 C LEU A 26 6.457 -1.328 8.513 1.00 0.00 C ATOM 419 O LEU A 26 7.429 -1.848 7.967 1.00 0.00 O ATOM 420 CB LEU A 26 6.964 -1.814 10.915 1.00 0.00 C ATOM 421 CG LEU A 26 7.542 -0.418 11.162 1.00 0.00 C ATOM 422 CD1 LEU A 26 7.805 -0.204 12.645 1.00 0.00 C ATOM 423 CD2 LEU A 26 8.817 -0.220 10.358 1.00 0.00 C ATOM 0 H LEU A 26 6.204 -3.953 9.614 1.00 0.00 H new ATOM 0 HA LEU A 26 5.040 -1.289 10.114 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.531 -2.181 11.846 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.780 -2.488 10.655 1.00 0.00 H new ATOM 0 HG LEU A 26 6.811 0.321 10.834 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.216 0.794 12.801 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.871 -0.303 13.198 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.517 -0.949 12.999 1.00 0.00 H new ATOM 0 HD21 LEU A 26 9.214 0.778 10.546 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.554 -0.966 10.655 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.598 -0.329 9.296 1.00 0.00 H new ATOM 435 N TYR A 27 5.834 -0.262 8.020 1.00 0.00 N ATOM 436 CA TYR A 27 6.268 0.370 6.780 1.00 0.00 C ATOM 437 C TYR A 27 6.820 1.767 7.045 1.00 0.00 C ATOM 438 O TYR A 27 6.412 2.438 7.993 1.00 0.00 O ATOM 439 CB TYR A 27 5.105 0.449 5.789 1.00 0.00 C ATOM 440 CG TYR A 27 3.845 1.043 6.378 1.00 0.00 C ATOM 441 CD1 TYR A 27 3.620 2.413 6.348 1.00 0.00 C ATOM 442 CD2 TYR A 27 2.881 0.232 6.964 1.00 0.00 C ATOM 443 CE1 TYR A 27 2.470 2.959 6.885 1.00 0.00 C ATOM 444 CE2 TYR A 27 1.728 0.771 7.503 1.00 0.00 C ATOM 445 CZ TYR A 27 1.528 2.134 7.461 1.00 0.00 C ATOM 446 OH TYR A 27 0.381 2.673 7.997 1.00 0.00 O ATOM 0 H TYR A 27 5.028 0.182 8.460 1.00 0.00 H new ATOM 0 HA TYR A 27 7.063 -0.240 6.350 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.411 1.046 4.930 1.00 0.00 H new ATOM 0 HB3 TYR A 27 4.886 -0.553 5.419 1.00 0.00 H new ATOM 0 HD1 TYR A 27 4.356 3.062 5.897 1.00 0.00 H new ATOM 0 HD2 TYR A 27 3.035 -0.836 6.999 1.00 0.00 H new ATOM 0 HE1 TYR A 27 2.310 4.027 6.854 1.00 0.00 H new ATOM 0 HE2 TYR A 27 0.988 0.127 7.955 1.00 0.00 H new ATOM 0 HH TYR A 27 -0.351 2.026 7.922 1.00 0.00 H new ATOM 456 N ILE A 28 7.753 2.198 6.202 1.00 0.00 N ATOM 457 CA ILE A 28 8.363 3.514 6.345 1.00 0.00 C ATOM 458 C ILE A 28 8.856 4.041 4.999 1.00 0.00 C ATOM 459 O ILE A 28 9.174 3.264 4.098 1.00 0.00 O ATOM 460 CB ILE A 28 9.544 3.482 7.334 1.00 0.00 C ATOM 461 CG1 ILE A 28 10.585 2.455 6.886 1.00 0.00 C ATOM 462 CG2 ILE A 28 9.050 3.167 8.738 1.00 0.00 C ATOM 463 CD1 ILE A 28 12.012 2.899 7.125 1.00 0.00 C ATOM 0 H ILE A 28 8.103 1.655 5.413 1.00 0.00 H new ATOM 0 HA ILE A 28 7.592 4.179 6.733 1.00 0.00 H new ATOM 0 HB ILE A 28 10.015 4.465 7.348 1.00 0.00 H new ATOM 0 HG12 ILE A 28 10.411 1.518 7.415 1.00 0.00 H new ATOM 0 HG13 ILE A 28 10.449 2.251 5.824 1.00 0.00 H new ATOM 0 HG21 ILE A 28 9.896 3.148 9.425 1.00 0.00 H new ATOM 0 HG22 ILE A 28 8.342 3.933 9.055 1.00 0.00 H new ATOM 0 HG23 ILE A 28 8.558 2.194 8.741 1.00 0.00 H new ATOM 0 HD11 ILE A 28 12.697 2.122 6.784 1.00 0.00 H new ATOM 0 HD12 ILE A 28 12.204 3.820 6.574 1.00 0.00 H new ATOM 0 HD13 ILE A 28 12.165 3.075 8.190 1.00 0.00 H new ATOM 475 N PRO A 29 8.929 5.375 4.846 1.00 0.00 N ATOM 476 CA PRO A 29 9.387 6.002 3.603 1.00 0.00 C ATOM 477 C PRO A 29 10.879 5.796 3.365 1.00 0.00 C ATOM 478 O PRO A 29 11.519 4.990 4.040 1.00 0.00 O ATOM 479 CB PRO A 29 9.080 7.486 3.819 1.00 0.00 C ATOM 480 CG PRO A 29 9.088 7.663 5.297 1.00 0.00 C ATOM 481 CD PRO A 29 8.571 6.373 5.871 1.00 0.00 C ATOM 0 HA PRO A 29 8.898 5.575 2.728 1.00 0.00 H new ATOM 0 HB2 PRO A 29 9.828 8.119 3.340 1.00 0.00 H new ATOM 0 HB3 PRO A 29 8.114 7.756 3.393 1.00 0.00 H new ATOM 0 HG2 PRO A 29 10.094 7.876 5.659 1.00 0.00 H new ATOM 0 HG3 PRO A 29 8.458 8.502 5.593 1.00 0.00 H new ATOM 0 HD2 PRO A 29 9.034 6.146 6.831 1.00 0.00 H new ATOM 0 HD3 PRO A 29 7.494 6.410 6.037 1.00 0.00 H new ATOM 489 N ALA A 30 11.427 6.528 2.400 1.00 0.00 N ATOM 490 CA ALA A 30 12.844 6.425 2.074 1.00 0.00 C ATOM 491 C ALA A 30 13.700 7.154 3.104 1.00 0.00 C ATOM 492 O ALA A 30 13.207 7.570 4.152 1.00 0.00 O ATOM 493 CB ALA A 30 13.106 6.977 0.681 1.00 0.00 C ATOM 0 H ALA A 30 10.911 7.199 1.831 1.00 0.00 H new ATOM 0 HA ALA A 30 13.120 5.371 2.093 1.00 0.00 H new ATOM 0 HB1 ALA A 30 14.168 6.894 0.451 1.00 0.00 H new ATOM 0 HB2 ALA A 30 12.531 6.409 -0.050 1.00 0.00 H new ATOM 0 HB3 ALA A 30 12.807 8.025 0.643 1.00 0.00 H new ATOM 499 N ILE A 31 14.984 7.307 2.797 1.00 0.00 N ATOM 500 CA ILE A 31 15.909 7.986 3.696 1.00 0.00 C ATOM 501 C ILE A 31 17.125 8.513 2.938 1.00 0.00 C ATOM 502 O ILE A 31 17.610 7.875 2.004 1.00 0.00 O ATOM 503 CB ILE A 31 16.381 7.052 4.828 1.00 0.00 C ATOM 504 CG1 ILE A 31 17.267 7.813 5.817 1.00 0.00 C ATOM 505 CG2 ILE A 31 17.125 5.854 4.255 1.00 0.00 C ATOM 506 CD1 ILE A 31 16.525 8.875 6.599 1.00 0.00 C ATOM 0 H ILE A 31 15.407 6.970 1.932 1.00 0.00 H new ATOM 0 HA ILE A 31 15.368 8.825 4.134 1.00 0.00 H new ATOM 0 HB ILE A 31 15.504 6.688 5.363 1.00 0.00 H new ATOM 0 HG12 ILE A 31 17.711 7.103 6.515 1.00 0.00 H new ATOM 0 HG13 ILE A 31 18.087 8.281 5.272 1.00 0.00 H new ATOM 0 HG21 ILE A 31 17.451 5.205 5.068 1.00 0.00 H new ATOM 0 HG22 ILE A 31 16.463 5.298 3.591 1.00 0.00 H new ATOM 0 HG23 ILE A 31 17.994 6.199 3.695 1.00 0.00 H new ATOM 0 HD11 ILE A 31 17.215 9.374 7.280 1.00 0.00 H new ATOM 0 HD12 ILE A 31 16.103 9.606 5.910 1.00 0.00 H new ATOM 0 HD13 ILE A 31 15.722 8.411 7.171 1.00 0.00 H new ATOM 518 N THR A 32 17.610 9.680 3.346 1.00 0.00 N ATOM 519 CA THR A 32 18.769 10.293 2.706 1.00 0.00 C ATOM 520 C THR A 32 19.993 10.220 3.614 1.00 0.00 C ATOM 521 O THR A 32 20.216 11.102 4.442 1.00 0.00 O ATOM 522 CB THR A 32 18.469 11.749 2.348 1.00 0.00 C ATOM 523 OG1 THR A 32 17.553 12.314 3.268 1.00 0.00 O ATOM 524 CG2 THR A 32 17.890 11.917 0.960 1.00 0.00 C ATOM 0 H THR A 32 17.219 10.221 4.117 1.00 0.00 H new ATOM 0 HA THR A 32 18.984 9.740 1.792 1.00 0.00 H new ATOM 0 HB THR A 32 19.431 12.260 2.386 1.00 0.00 H new ATOM 0 HG1 THR A 32 17.376 13.246 3.022 1.00 0.00 H new ATOM 0 HG21 THR A 32 17.701 12.974 0.770 1.00 0.00 H new ATOM 0 HG22 THR A 32 18.597 11.537 0.222 1.00 0.00 H new ATOM 0 HG23 THR A 32 16.955 11.362 0.886 1.00 0.00 H new ATOM 532 N TRP A 33 20.783 9.164 3.451 1.00 0.00 N ATOM 533 CA TRP A 33 21.985 8.976 4.255 1.00 0.00 C ATOM 534 C TRP A 33 23.232 8.983 3.377 1.00 0.00 C ATOM 535 O TRP A 33 23.342 8.205 2.430 1.00 0.00 O ATOM 536 CB TRP A 33 21.903 7.662 5.033 1.00 0.00 C ATOM 537 CG TRP A 33 21.280 7.810 6.387 1.00 0.00 C ATOM 538 CD1 TRP A 33 20.387 8.766 6.779 1.00 0.00 C ATOM 539 CD2 TRP A 33 21.502 6.975 7.530 1.00 0.00 C ATOM 540 NE1 TRP A 33 20.040 8.577 8.095 1.00 0.00 N ATOM 541 CE2 TRP A 33 20.712 7.485 8.578 1.00 0.00 C ATOM 542 CE3 TRP A 33 22.292 5.848 7.769 1.00 0.00 C ATOM 543 CZ2 TRP A 33 20.690 6.904 9.844 1.00 0.00 C ATOM 544 CZ3 TRP A 33 22.269 5.272 9.024 1.00 0.00 C ATOM 545 CH2 TRP A 33 21.473 5.801 10.049 1.00 0.00 C ATOM 0 H TRP A 33 20.612 8.425 2.769 1.00 0.00 H new ATOM 0 HA TRP A 33 22.054 9.804 4.960 1.00 0.00 H new ATOM 0 HB2 TRP A 33 21.327 6.941 4.453 1.00 0.00 H new ATOM 0 HB3 TRP A 33 22.907 7.252 5.146 1.00 0.00 H new ATOM 0 HD1 TRP A 33 20.009 9.556 6.147 1.00 0.00 H new ATOM 0 HE1 TRP A 33 19.389 9.155 8.626 1.00 0.00 H new ATOM 0 HE3 TRP A 33 22.910 5.434 6.986 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 20.077 7.310 10.635 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 22.875 4.399 9.219 1.00 0.00 H new ATOM 0 HH2 TRP A 33 21.478 5.328 11.020 1.00 0.00 H new ATOM 556 N HIS A 34 24.171 9.867 3.698 1.00 0.00 N ATOM 557 CA HIS A 34 25.411 9.976 2.939 1.00 0.00 C ATOM 558 C HIS A 34 26.404 10.893 3.645 1.00 0.00 C ATOM 559 O HIS A 34 27.573 10.544 3.815 1.00 0.00 O ATOM 560 CB HIS A 34 25.125 10.499 1.530 1.00 0.00 C ATOM 561 CG HIS A 34 25.876 9.773 0.458 1.00 0.00 C ATOM 562 ND1 HIS A 34 25.821 8.404 0.295 1.00 0.00 N ATOM 563 CD2 HIS A 34 26.704 10.232 -0.511 1.00 0.00 C ATOM 564 CE1 HIS A 34 26.582 8.053 -0.726 1.00 0.00 C ATOM 565 NE2 HIS A 34 27.129 9.143 -1.233 1.00 0.00 N ATOM 0 H HIS A 34 24.096 10.519 4.479 1.00 0.00 H new ATOM 0 HA HIS A 34 25.853 8.982 2.867 1.00 0.00 H new ATOM 0 HB2 HIS A 34 24.056 10.419 1.332 1.00 0.00 H new ATOM 0 HB3 HIS A 34 25.379 11.558 1.486 1.00 0.00 H new ATOM 0 HD2 HIS A 34 26.979 11.262 -0.684 1.00 0.00 H new ATOM 0 HE1 HIS A 34 26.732 7.046 -1.085 1.00 0.00 H new ATOM 0 HE2 HIS A 34 27.764 9.172 -2.031 1.00 0.00 H new ATOM 574 N ALA A 35 25.933 12.065 4.055 1.00 0.00 N ATOM 575 CA ALA A 35 26.779 13.032 4.742 1.00 0.00 C ATOM 576 C ALA A 35 27.034 12.611 6.185 1.00 0.00 C ATOM 577 O ALA A 35 28.121 12.826 6.722 1.00 0.00 O ATOM 578 CB ALA A 35 26.143 14.413 4.699 1.00 0.00 C ATOM 0 H ALA A 35 24.968 12.368 3.923 1.00 0.00 H new ATOM 0 HA ALA A 35 27.739 13.069 4.227 1.00 0.00 H new ATOM 0 HB1 ALA A 35 26.786 15.126 5.216 1.00 0.00 H new ATOM 0 HB2 ALA A 35 26.017 14.724 3.662 1.00 0.00 H new ATOM 0 HB3 ALA A 35 25.170 14.381 5.188 1.00 0.00 H new ATOM 584 N ARG A 36 26.025 12.009 6.808 1.00 0.00 N ATOM 585 CA ARG A 36 26.141 11.557 8.190 1.00 0.00 C ATOM 586 C ARG A 36 26.425 12.730 9.123 1.00 0.00 C ATOM 587 O ARG A 36 27.101 12.577 10.140 1.00 0.00 O ATOM 588 CB ARG A 36 27.250 10.511 8.315 1.00 0.00 C ATOM 589 CG ARG A 36 26.966 9.445 9.362 1.00 0.00 C ATOM 590 CD ARG A 36 28.121 9.297 10.340 1.00 0.00 C ATOM 591 NE ARG A 36 29.401 9.133 9.654 1.00 0.00 N ATOM 592 CZ ARG A 36 30.553 8.905 10.280 1.00 0.00 C ATOM 593 NH1 ARG A 36 30.591 8.813 11.603 1.00 0.00 N ATOM 594 NH2 ARG A 36 31.671 8.768 9.579 1.00 0.00 N ATOM 0 H ARG A 36 25.119 11.823 6.378 1.00 0.00 H new ATOM 0 HA ARG A 36 25.192 11.106 8.480 1.00 0.00 H new ATOM 0 HB2 ARG A 36 27.394 10.029 7.348 1.00 0.00 H new ATOM 0 HB3 ARG A 36 28.185 11.013 8.564 1.00 0.00 H new ATOM 0 HG2 ARG A 36 26.058 9.703 9.907 1.00 0.00 H new ATOM 0 HG3 ARG A 36 26.782 8.490 8.869 1.00 0.00 H new ATOM 0 HD2 ARG A 36 28.165 10.175 10.985 1.00 0.00 H new ATOM 0 HD3 ARG A 36 27.942 8.437 10.985 1.00 0.00 H new ATOM 0 HE ARG A 36 29.412 9.197 8.636 1.00 0.00 H new ATOM 0 HH11 ARG A 36 29.734 8.917 12.146 1.00 0.00 H new ATOM 0 HH12 ARG A 36 31.477 8.638 12.077 1.00 0.00 H new ATOM 0 HH21 ARG A 36 31.647 8.837 8.562 1.00 0.00 H new ATOM 0 HH22 ARG A 36 32.555 8.593 10.057 1.00 0.00 H new ATOM 608 N PHE A 37 25.905 13.900 8.770 1.00 0.00 N ATOM 609 CA PHE A 37 26.101 15.099 9.576 1.00 0.00 C ATOM 610 C PHE A 37 25.036 16.146 9.265 1.00 0.00 C ATOM 611 O PHE A 37 25.241 17.027 8.430 1.00 0.00 O ATOM 612 CB PHE A 37 27.493 15.683 9.327 1.00 0.00 C ATOM 613 CG PHE A 37 27.995 16.541 10.454 1.00 0.00 C ATOM 614 CD1 PHE A 37 27.644 17.880 10.531 1.00 0.00 C ATOM 615 CD2 PHE A 37 28.816 16.009 11.435 1.00 0.00 C ATOM 616 CE1 PHE A 37 28.103 18.672 11.566 1.00 0.00 C ATOM 617 CE2 PHE A 37 29.278 16.797 12.473 1.00 0.00 C ATOM 618 CZ PHE A 37 28.922 18.130 12.538 1.00 0.00 C ATOM 0 H PHE A 37 25.344 14.044 7.930 1.00 0.00 H new ATOM 0 HA PHE A 37 26.013 14.819 10.626 1.00 0.00 H new ATOM 0 HB2 PHE A 37 28.196 14.867 9.162 1.00 0.00 H new ATOM 0 HB3 PHE A 37 27.471 16.275 8.412 1.00 0.00 H new ATOM 0 HD1 PHE A 37 27.005 18.309 9.774 1.00 0.00 H new ATOM 0 HD2 PHE A 37 29.098 14.968 11.388 1.00 0.00 H new ATOM 0 HE1 PHE A 37 27.822 19.714 11.615 1.00 0.00 H new ATOM 0 HE2 PHE A 37 29.917 16.371 13.232 1.00 0.00 H new ATOM 0 HZ PHE A 37 29.283 18.748 13.347 1.00 0.00 H new ATOM 628 N ALA A 38 23.898 16.043 9.943 1.00 0.00 N ATOM 629 CA ALA A 38 22.800 16.981 9.740 1.00 0.00 C ATOM 630 C ALA A 38 23.062 18.297 10.462 1.00 0.00 C ATOM 631 O ALA A 38 23.292 18.317 11.672 1.00 0.00 O ATOM 632 CB ALA A 38 21.489 16.370 10.212 1.00 0.00 C ATOM 0 H ALA A 38 23.712 15.320 10.638 1.00 0.00 H new ATOM 0 HA ALA A 38 22.727 17.190 8.673 1.00 0.00 H new ATOM 0 HB1 ALA A 38 20.678 17.081 10.054 1.00 0.00 H new ATOM 0 HB2 ALA A 38 21.288 15.460 9.647 1.00 0.00 H new ATOM 0 HB3 ALA A 38 21.560 16.131 11.273 1.00 0.00 H new ATOM 638 N TYR A 39 23.027 19.394 9.715 1.00 0.00 N ATOM 639 CA TYR A 39 23.261 20.716 10.284 1.00 0.00 C ATOM 640 C TYR A 39 22.170 21.077 11.288 1.00 0.00 C ATOM 641 O TYR A 39 21.045 20.586 11.200 1.00 0.00 O ATOM 642 CB TYR A 39 23.322 21.769 9.175 1.00 0.00 C ATOM 643 CG TYR A 39 24.665 22.454 9.064 1.00 0.00 C ATOM 644 CD1 TYR A 39 25.135 23.273 10.083 1.00 0.00 C ATOM 645 CD2 TYR A 39 25.463 22.282 7.939 1.00 0.00 C ATOM 646 CE1 TYR A 39 26.362 23.902 9.984 1.00 0.00 C ATOM 647 CE2 TYR A 39 26.691 22.907 7.834 1.00 0.00 C ATOM 648 CZ TYR A 39 27.137 23.715 8.859 1.00 0.00 C ATOM 649 OH TYR A 39 28.358 24.339 8.758 1.00 0.00 O ATOM 0 H TYR A 39 22.839 19.394 8.713 1.00 0.00 H new ATOM 0 HA TYR A 39 24.217 20.695 10.807 1.00 0.00 H new ATOM 0 HB2 TYR A 39 23.085 21.295 8.222 1.00 0.00 H new ATOM 0 HB3 TYR A 39 22.554 22.521 9.357 1.00 0.00 H new ATOM 0 HD1 TYR A 39 24.532 23.421 10.967 1.00 0.00 H new ATOM 0 HD2 TYR A 39 25.118 21.650 7.134 1.00 0.00 H new ATOM 0 HE1 TYR A 39 26.712 24.537 10.784 1.00 0.00 H new ATOM 0 HE2 TYR A 39 27.299 22.763 6.953 1.00 0.00 H new ATOM 0 HH TYR A 39 28.777 24.102 7.904 1.00 0.00 H new ATOM 659 N ASP A 40 22.512 21.938 12.241 1.00 0.00 N ATOM 660 CA ASP A 40 21.562 22.365 13.261 1.00 0.00 C ATOM 661 C ASP A 40 21.108 23.800 13.012 1.00 0.00 C ATOM 662 O ASP A 40 21.921 24.724 12.990 1.00 0.00 O ATOM 663 CB ASP A 40 22.189 22.249 14.653 1.00 0.00 C ATOM 664 CG ASP A 40 21.742 20.999 15.385 1.00 0.00 C ATOM 665 OD1 ASP A 40 22.323 19.923 15.130 1.00 0.00 O ATOM 666 OD2 ASP A 40 20.811 21.097 16.212 1.00 0.00 O ATOM 0 H ASP A 40 23.440 22.353 12.328 1.00 0.00 H new ATOM 0 HA ASP A 40 20.691 21.712 13.208 1.00 0.00 H new ATOM 0 HB2 ASP A 40 23.275 22.244 14.560 1.00 0.00 H new ATOM 0 HB3 ASP A 40 21.924 23.127 15.242 1.00 0.00 H new ATOM 672 N LYS A 41 19.804 23.979 12.823 1.00 0.00 N ATOM 673 CA LYS A 41 19.244 25.301 12.574 1.00 0.00 C ATOM 674 C LYS A 41 17.752 25.329 12.891 1.00 0.00 C ATOM 675 O LYS A 41 17.164 24.309 13.252 1.00 0.00 O ATOM 676 CB LYS A 41 19.475 25.711 11.118 1.00 0.00 C ATOM 677 CG LYS A 41 19.793 27.187 10.945 1.00 0.00 C ATOM 678 CD LYS A 41 19.036 27.787 9.770 1.00 0.00 C ATOM 679 CE LYS A 41 19.073 29.307 9.802 1.00 0.00 C ATOM 680 NZ LYS A 41 18.938 29.895 8.440 1.00 0.00 N ATOM 0 H LYS A 41 19.117 23.225 12.838 1.00 0.00 H new ATOM 0 HA LYS A 41 19.750 26.011 13.229 1.00 0.00 H new ATOM 0 HB2 LYS A 41 20.295 25.121 10.709 1.00 0.00 H new ATOM 0 HB3 LYS A 41 18.586 25.469 10.536 1.00 0.00 H new ATOM 0 HG2 LYS A 41 19.536 27.725 11.857 1.00 0.00 H new ATOM 0 HG3 LYS A 41 20.865 27.314 10.791 1.00 0.00 H new ATOM 0 HD2 LYS A 41 19.470 27.431 8.836 1.00 0.00 H new ATOM 0 HD3 LYS A 41 18.001 27.447 9.791 1.00 0.00 H new ATOM 0 HE2 LYS A 41 18.269 29.676 10.438 1.00 0.00 H new ATOM 0 HE3 LYS A 41 20.010 29.638 10.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 19.002 30.931 8.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 19.700 29.536 7.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 18.017 29.628 8.036 1.00 0.00 H new ATOM 694 N GLU A 42 17.146 26.504 12.755 1.00 0.00 N ATOM 695 CA GLU A 42 15.723 26.667 13.025 1.00 0.00 C ATOM 696 C GLU A 42 14.984 27.141 11.777 1.00 0.00 C ATOM 697 O GLU A 42 15.566 27.796 10.912 1.00 0.00 O ATOM 698 CB GLU A 42 15.510 27.662 14.168 1.00 0.00 C ATOM 699 CG GLU A 42 14.367 27.287 15.096 1.00 0.00 C ATOM 700 CD GLU A 42 13.067 27.973 14.726 1.00 0.00 C ATOM 701 OE1 GLU A 42 12.746 29.011 15.342 1.00 0.00 O ATOM 702 OE2 GLU A 42 12.369 27.473 13.818 1.00 0.00 O ATOM 0 H GLU A 42 17.619 27.358 12.459 1.00 0.00 H new ATOM 0 HA GLU A 42 15.320 25.697 13.318 1.00 0.00 H new ATOM 0 HB2 GLU A 42 16.429 27.737 14.749 1.00 0.00 H new ATOM 0 HB3 GLU A 42 15.317 28.649 13.748 1.00 0.00 H new ATOM 0 HG2 GLU A 42 14.223 26.207 15.071 1.00 0.00 H new ATOM 0 HG3 GLU A 42 14.634 27.550 16.120 1.00 0.00 H new ATOM 710 N LYS A 43 13.701 26.805 11.692 1.00 0.00 N ATOM 711 CA LYS A 43 12.879 27.194 10.550 1.00 0.00 C ATOM 712 C LYS A 43 13.384 26.540 9.266 1.00 0.00 C ATOM 713 O LYS A 43 12.814 25.557 8.794 1.00 0.00 O ATOM 714 CB LYS A 43 12.868 28.718 10.395 1.00 0.00 C ATOM 715 CG LYS A 43 11.689 29.390 11.080 1.00 0.00 C ATOM 716 CD LYS A 43 11.553 30.843 10.653 1.00 0.00 C ATOM 717 CE LYS A 43 10.989 31.701 11.774 1.00 0.00 C ATOM 718 NZ LYS A 43 11.523 33.090 11.733 1.00 0.00 N ATOM 0 H LYS A 43 13.207 26.263 12.401 1.00 0.00 H new ATOM 0 HA LYS A 43 11.861 26.850 10.733 1.00 0.00 H new ATOM 0 HB2 LYS A 43 13.794 29.123 10.803 1.00 0.00 H new ATOM 0 HB3 LYS A 43 12.851 28.967 9.334 1.00 0.00 H new ATOM 0 HG2 LYS A 43 10.772 28.852 10.840 1.00 0.00 H new ATOM 0 HG3 LYS A 43 11.816 29.337 12.161 1.00 0.00 H new ATOM 0 HD2 LYS A 43 12.528 31.228 10.353 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.903 30.908 9.781 1.00 0.00 H new ATOM 0 HE2 LYS A 43 9.902 31.728 11.699 1.00 0.00 H new ATOM 0 HE3 LYS A 43 11.231 31.247 12.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 11.114 33.642 12.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 12.558 33.067 11.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 11.270 33.532 10.826 1.00 0.00 H new ATOM 732 N THR A 44 14.457 27.092 8.707 1.00 0.00 N ATOM 733 CA THR A 44 15.037 26.561 7.480 1.00 0.00 C ATOM 734 C THR A 44 16.336 27.283 7.135 1.00 0.00 C ATOM 735 O THR A 44 16.506 28.460 7.452 1.00 0.00 O ATOM 736 CB THR A 44 14.045 26.692 6.324 1.00 0.00 C ATOM 737 OG1 THR A 44 14.590 26.154 5.132 1.00 0.00 O ATOM 738 CG2 THR A 44 13.643 28.122 6.039 1.00 0.00 C ATOM 0 H THR A 44 14.941 27.906 9.085 1.00 0.00 H new ATOM 0 HA THR A 44 15.260 25.506 7.640 1.00 0.00 H new ATOM 0 HB THR A 44 13.160 26.139 6.639 1.00 0.00 H new ATOM 0 HG1 THR A 44 13.940 26.246 4.405 1.00 0.00 H new ATOM 0 HG21 THR A 44 12.938 28.143 5.208 1.00 0.00 H new ATOM 0 HG22 THR A 44 13.173 28.551 6.924 1.00 0.00 H new ATOM 0 HG23 THR A 44 14.527 28.704 5.779 1.00 0.00 H new ATOM 746 N ASP A 45 17.250 26.570 6.486 1.00 0.00 N ATOM 747 CA ASP A 45 18.534 27.143 6.098 1.00 0.00 C ATOM 748 C ASP A 45 18.596 27.367 4.591 1.00 0.00 C ATOM 749 O ASP A 45 19.147 28.363 4.123 1.00 0.00 O ATOM 750 CB ASP A 45 19.678 26.228 6.537 1.00 0.00 C ATOM 751 CG ASP A 45 20.951 26.995 6.834 1.00 0.00 C ATOM 752 OD1 ASP A 45 20.864 28.218 7.075 1.00 0.00 O ATOM 753 OD2 ASP A 45 22.034 26.374 6.827 1.00 0.00 O ATOM 0 H ASP A 45 17.126 25.594 6.217 1.00 0.00 H new ATOM 0 HA ASP A 45 18.639 28.107 6.595 1.00 0.00 H new ATOM 0 HB2 ASP A 45 19.376 25.674 7.425 1.00 0.00 H new ATOM 0 HB3 ASP A 45 19.873 25.494 5.755 1.00 0.00 H new ATOM 759 N ARG A 46 18.026 26.433 3.835 1.00 0.00 N ATOM 760 CA ARG A 46 18.016 26.528 2.379 1.00 0.00 C ATOM 761 C ARG A 46 17.246 25.364 1.764 1.00 0.00 C ATOM 762 O ARG A 46 16.510 25.538 0.793 1.00 0.00 O ATOM 763 CB ARG A 46 19.447 26.553 1.837 1.00 0.00 C ATOM 764 CG ARG A 46 20.336 25.463 2.415 1.00 0.00 C ATOM 765 CD ARG A 46 20.704 24.426 1.366 1.00 0.00 C ATOM 766 NE ARG A 46 21.830 23.596 1.788 1.00 0.00 N ATOM 767 CZ ARG A 46 22.578 22.879 0.952 1.00 0.00 C ATOM 768 NH1 ARG A 46 22.323 22.887 -0.350 1.00 0.00 N ATOM 769 NH2 ARG A 46 23.583 22.152 1.420 1.00 0.00 N ATOM 0 H ARG A 46 17.565 25.602 4.206 1.00 0.00 H new ATOM 0 HA ARG A 46 17.516 27.457 2.104 1.00 0.00 H new ATOM 0 HB2 ARG A 46 19.418 26.449 0.752 1.00 0.00 H new ATOM 0 HB3 ARG A 46 19.891 27.525 2.052 1.00 0.00 H new ATOM 0 HG2 ARG A 46 21.244 25.910 2.820 1.00 0.00 H new ATOM 0 HG3 ARG A 46 19.823 24.976 3.244 1.00 0.00 H new ATOM 0 HD2 ARG A 46 19.841 23.791 1.165 1.00 0.00 H new ATOM 0 HD3 ARG A 46 20.954 24.928 0.432 1.00 0.00 H new ATOM 0 HE ARG A 46 22.056 23.564 2.782 1.00 0.00 H new ATOM 0 HH11 ARG A 46 21.551 23.444 -0.715 1.00 0.00 H new ATOM 0 HH12 ARG A 46 22.899 22.336 -0.986 1.00 0.00 H new ATOM 0 HH21 ARG A 46 23.783 22.142 2.420 1.00 0.00 H new ATOM 0 HH22 ARG A 46 24.156 21.602 0.780 1.00 0.00 H new ATOM 783 N TYR A 47 17.421 24.176 2.335 1.00 0.00 N ATOM 784 CA TYR A 47 16.743 22.984 1.844 1.00 0.00 C ATOM 785 C TYR A 47 15.916 22.333 2.949 1.00 0.00 C ATOM 786 O TYR A 47 16.113 22.613 4.131 1.00 0.00 O ATOM 787 CB TYR A 47 17.762 21.982 1.293 1.00 0.00 C ATOM 788 CG TYR A 47 17.869 21.996 -0.215 1.00 0.00 C ATOM 789 CD1 TYR A 47 16.745 21.819 -1.012 1.00 0.00 C ATOM 790 CD2 TYR A 47 19.095 22.183 -0.841 1.00 0.00 C ATOM 791 CE1 TYR A 47 16.840 21.831 -2.391 1.00 0.00 C ATOM 792 CE2 TYR A 47 19.198 22.195 -2.219 1.00 0.00 C ATOM 793 CZ TYR A 47 18.068 22.018 -2.989 1.00 0.00 C ATOM 794 OH TYR A 47 18.167 22.031 -4.362 1.00 0.00 O ATOM 0 H TYR A 47 18.028 24.015 3.139 1.00 0.00 H new ATOM 0 HA TYR A 47 16.069 23.284 1.041 1.00 0.00 H new ATOM 0 HB2 TYR A 47 18.741 22.199 1.721 1.00 0.00 H new ATOM 0 HB3 TYR A 47 17.487 20.979 1.620 1.00 0.00 H new ATOM 0 HD1 TYR A 47 15.782 21.670 -0.547 1.00 0.00 H new ATOM 0 HD2 TYR A 47 19.982 22.321 -0.241 1.00 0.00 H new ATOM 0 HE1 TYR A 47 15.957 21.695 -2.997 1.00 0.00 H new ATOM 0 HE2 TYR A 47 20.159 22.342 -2.690 1.00 0.00 H new ATOM 0 HH TYR A 47 19.101 22.175 -4.621 1.00 0.00 H new ATOM 804 N ASN A 48 14.991 21.464 2.556 1.00 0.00 N ATOM 805 CA ASN A 48 14.134 20.773 3.512 1.00 0.00 C ATOM 806 C ASN A 48 14.438 19.279 3.534 1.00 0.00 C ATOM 807 O ASN A 48 14.488 18.630 2.489 1.00 0.00 O ATOM 808 CB ASN A 48 12.662 21.001 3.167 1.00 0.00 C ATOM 809 CG ASN A 48 12.235 22.440 3.377 1.00 0.00 C ATOM 810 OD1 ASN A 48 11.836 23.125 2.434 1.00 0.00 O ATOM 811 ND2 ASN A 48 12.316 22.907 4.617 1.00 0.00 N ATOM 0 H ASN A 48 14.816 21.221 1.581 1.00 0.00 H new ATOM 0 HA ASN A 48 14.335 21.181 4.503 1.00 0.00 H new ATOM 0 HB2 ASN A 48 12.488 20.721 2.128 1.00 0.00 H new ATOM 0 HB3 ASN A 48 12.042 20.348 3.781 1.00 0.00 H new ATOM 0 HD21 ASN A 48 12.042 23.869 4.819 1.00 0.00 H new ATOM 0 HD22 ASN A 48 12.652 22.304 5.368 1.00 0.00 H new ATOM 818 N GLU A 49 14.640 18.737 4.731 1.00 0.00 N ATOM 819 CA GLU A 49 14.938 17.319 4.888 1.00 0.00 C ATOM 820 C GLU A 49 13.659 16.487 4.851 1.00 0.00 C ATOM 821 O GLU A 49 12.556 17.023 4.961 1.00 0.00 O ATOM 822 CB GLU A 49 15.681 17.075 6.204 1.00 0.00 C ATOM 823 CG GLU A 49 17.189 17.227 6.087 1.00 0.00 C ATOM 824 CD GLU A 49 17.858 15.986 5.530 1.00 0.00 C ATOM 825 OE1 GLU A 49 17.377 15.463 4.502 1.00 0.00 O ATOM 826 OE2 GLU A 49 18.864 15.538 6.120 1.00 0.00 O ATOM 0 H GLU A 49 14.603 19.259 5.606 1.00 0.00 H new ATOM 0 HA GLU A 49 15.574 17.013 4.057 1.00 0.00 H new ATOM 0 HB2 GLU A 49 15.311 17.772 6.956 1.00 0.00 H new ATOM 0 HB3 GLU A 49 15.452 16.071 6.561 1.00 0.00 H new ATOM 0 HG2 GLU A 49 17.416 18.077 5.444 1.00 0.00 H new ATOM 0 HG3 GLU A 49 17.605 17.450 7.069 1.00 0.00 H new ATOM 834 N ARG A 50 13.815 15.177 4.695 1.00 0.00 N ATOM 835 CA ARG A 50 12.673 14.272 4.643 1.00 0.00 C ATOM 836 C ARG A 50 12.225 13.879 6.051 1.00 0.00 C ATOM 837 O ARG A 50 13.046 13.499 6.885 1.00 0.00 O ATOM 838 CB ARG A 50 13.024 13.020 3.839 1.00 0.00 C ATOM 839 CG ARG A 50 13.142 13.269 2.345 1.00 0.00 C ATOM 840 CD ARG A 50 11.782 13.519 1.714 1.00 0.00 C ATOM 841 NE ARG A 50 11.874 14.382 0.539 1.00 0.00 N ATOM 842 CZ ARG A 50 12.428 14.011 -0.613 1.00 0.00 C ATOM 843 NH1 ARG A 50 12.941 12.794 -0.748 1.00 0.00 N ATOM 844 NH2 ARG A 50 12.470 14.859 -1.631 1.00 0.00 N ATOM 0 H ARG A 50 14.721 14.718 4.602 1.00 0.00 H new ATOM 0 HA ARG A 50 11.851 14.792 4.151 1.00 0.00 H new ATOM 0 HB2 ARG A 50 13.967 12.615 4.207 1.00 0.00 H new ATOM 0 HB3 ARG A 50 12.261 12.261 4.013 1.00 0.00 H new ATOM 0 HG2 ARG A 50 13.790 14.127 2.168 1.00 0.00 H new ATOM 0 HG3 ARG A 50 13.614 12.410 1.868 1.00 0.00 H new ATOM 0 HD2 ARG A 50 11.334 12.567 1.430 1.00 0.00 H new ATOM 0 HD3 ARG A 50 11.120 13.977 2.449 1.00 0.00 H new ATOM 0 HE ARG A 50 11.491 15.325 0.605 1.00 0.00 H new ATOM 0 HH11 ARG A 50 12.912 12.139 0.033 1.00 0.00 H new ATOM 0 HH12 ARG A 50 13.364 12.514 -1.633 1.00 0.00 H new ATOM 0 HH21 ARG A 50 12.078 15.795 -1.531 1.00 0.00 H new ATOM 0 HH22 ARG A 50 12.894 14.575 -2.514 1.00 0.00 H new ATOM 858 N PRO A 51 10.912 13.963 6.338 1.00 0.00 N ATOM 859 CA PRO A 51 10.370 13.610 7.654 1.00 0.00 C ATOM 860 C PRO A 51 10.769 12.203 8.086 1.00 0.00 C ATOM 861 O PRO A 51 11.592 11.554 7.440 1.00 0.00 O ATOM 862 CB PRO A 51 8.854 13.695 7.455 1.00 0.00 C ATOM 863 CG PRO A 51 8.673 14.626 6.307 1.00 0.00 C ATOM 864 CD PRO A 51 9.857 14.406 5.407 1.00 0.00 C ATOM 0 HA PRO A 51 10.747 14.269 8.436 1.00 0.00 H new ATOM 0 HB2 PRO A 51 8.428 12.715 7.241 1.00 0.00 H new ATOM 0 HB3 PRO A 51 8.358 14.070 8.350 1.00 0.00 H new ATOM 0 HG2 PRO A 51 7.740 14.422 5.782 1.00 0.00 H new ATOM 0 HG3 PRO A 51 8.628 15.661 6.647 1.00 0.00 H new ATOM 0 HD2 PRO A 51 9.650 13.654 4.646 1.00 0.00 H new ATOM 0 HD3 PRO A 51 10.140 15.319 4.883 1.00 0.00 H new ATOM 872 N TRP A 52 10.179 11.735 9.181 1.00 0.00 N ATOM 873 CA TRP A 52 10.472 10.405 9.700 1.00 0.00 C ATOM 874 C TRP A 52 9.183 9.632 9.966 1.00 0.00 C ATOM 875 O TRP A 52 9.001 9.054 11.038 1.00 0.00 O ATOM 876 CB TRP A 52 11.297 10.506 10.985 1.00 0.00 C ATOM 877 CG TRP A 52 12.359 9.453 11.094 1.00 0.00 C ATOM 878 CD1 TRP A 52 13.420 9.270 10.254 1.00 0.00 C ATOM 879 CD2 TRP A 52 12.460 8.439 12.098 1.00 0.00 C ATOM 880 NE1 TRP A 52 14.176 8.203 10.676 1.00 0.00 N ATOM 881 CE2 TRP A 52 13.608 7.676 11.807 1.00 0.00 C ATOM 882 CE3 TRP A 52 11.694 8.101 13.218 1.00 0.00 C ATOM 883 CZ2 TRP A 52 14.005 6.598 12.594 1.00 0.00 C ATOM 884 CZ3 TRP A 52 12.091 7.030 13.998 1.00 0.00 C ATOM 885 CH2 TRP A 52 13.237 6.290 13.683 1.00 0.00 C ATOM 0 H TRP A 52 9.494 12.258 9.726 1.00 0.00 H new ATOM 0 HA TRP A 52 11.050 9.866 8.949 1.00 0.00 H new ATOM 0 HB2 TRP A 52 11.765 11.490 11.032 1.00 0.00 H new ATOM 0 HB3 TRP A 52 10.630 10.429 11.844 1.00 0.00 H new ATOM 0 HD1 TRP A 52 13.634 9.875 9.385 1.00 0.00 H new ATOM 0 HE1 TRP A 52 15.022 7.859 10.222 1.00 0.00 H new ATOM 0 HE3 TRP A 52 10.809 8.666 13.469 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 14.888 6.025 12.353 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 11.507 6.760 14.865 1.00 0.00 H new ATOM 0 HH2 TRP A 52 13.520 5.459 14.312 1.00 0.00 H new ATOM 896 N GLY A 53 8.290 9.626 8.981 1.00 0.00 N ATOM 897 CA GLY A 53 7.029 8.923 9.126 1.00 0.00 C ATOM 898 C GLY A 53 7.216 7.444 9.401 1.00 0.00 C ATOM 899 O GLY A 53 8.331 6.929 9.332 1.00 0.00 O ATOM 0 H GLY A 53 8.418 10.096 8.085 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.459 9.371 9.940 1.00 0.00 H new ATOM 0 HA3 GLY A 53 6.440 9.049 8.217 1.00 0.00 H new ATOM 903 N GLY A 54 6.120 6.761 9.715 1.00 0.00 N ATOM 904 CA GLY A 54 6.187 5.339 9.997 1.00 0.00 C ATOM 905 C GLY A 54 4.952 4.833 10.715 1.00 0.00 C ATOM 906 O GLY A 54 4.407 5.515 11.582 1.00 0.00 O ATOM 0 H GLY A 54 5.186 7.167 9.779 1.00 0.00 H new ATOM 0 HA2 GLY A 54 6.310 4.792 9.063 1.00 0.00 H new ATOM 0 HA3 GLY A 54 7.068 5.133 10.606 1.00 0.00 H new ATOM 910 N GLY A 55 4.509 3.633 10.355 1.00 0.00 N ATOM 911 CA GLY A 55 3.333 3.058 10.981 1.00 0.00 C ATOM 912 C GLY A 55 3.332 1.543 10.938 1.00 0.00 C ATOM 913 O GLY A 55 4.307 0.927 10.507 1.00 0.00 O ATOM 0 H GLY A 55 4.943 3.048 9.641 1.00 0.00 H new ATOM 0 HA2 GLY A 55 3.280 3.388 12.018 1.00 0.00 H new ATOM 0 HA3 GLY A 55 2.440 3.433 10.481 1.00 0.00 H new ATOM 917 N PHE A 56 2.235 0.941 11.384 1.00 0.00 N ATOM 918 CA PHE A 56 2.109 -0.512 11.395 1.00 0.00 C ATOM 919 C PHE A 56 0.830 -0.951 10.688 1.00 0.00 C ATOM 920 O PHE A 56 0.009 -0.122 10.298 1.00 0.00 O ATOM 921 CB PHE A 56 2.115 -1.034 12.833 1.00 0.00 C ATOM 922 CG PHE A 56 1.016 -0.464 13.683 1.00 0.00 C ATOM 923 CD1 PHE A 56 1.131 0.803 14.232 1.00 0.00 C ATOM 924 CD2 PHE A 56 -0.135 -1.196 13.933 1.00 0.00 C ATOM 925 CE1 PHE A 56 0.121 1.330 15.013 1.00 0.00 C ATOM 926 CE2 PHE A 56 -1.148 -0.675 14.714 1.00 0.00 C ATOM 927 CZ PHE A 56 -1.020 0.590 15.255 1.00 0.00 C ATOM 0 H PHE A 56 1.419 1.437 11.743 1.00 0.00 H new ATOM 0 HA PHE A 56 2.962 -0.931 10.860 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.025 -2.120 12.817 1.00 0.00 H new ATOM 0 HB3 PHE A 56 3.076 -0.801 13.292 1.00 0.00 H new ATOM 0 HD1 PHE A 56 2.021 1.386 14.047 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -0.240 -2.185 13.512 1.00 0.00 H new ATOM 0 HE1 PHE A 56 0.223 2.319 15.434 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.039 -1.256 14.902 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.811 0.999 15.866 1.00 0.00 H new ATOM 937 N GLY A 57 0.668 -2.261 10.529 1.00 0.00 N ATOM 938 CA GLY A 57 -0.512 -2.786 9.869 1.00 0.00 C ATOM 939 C GLY A 57 -0.866 -4.183 10.339 1.00 0.00 C ATOM 940 O GLY A 57 0.002 -4.933 10.788 1.00 0.00 O ATOM 0 H GLY A 57 1.333 -2.967 10.845 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.355 -2.120 10.054 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.346 -2.800 8.792 1.00 0.00 H new ATOM 944 N LEU A 58 -2.143 -4.535 10.236 1.00 0.00 N ATOM 945 CA LEU A 58 -2.610 -5.852 10.653 1.00 0.00 C ATOM 946 C LEU A 58 -3.021 -6.690 9.447 1.00 0.00 C ATOM 947 O LEU A 58 -2.972 -6.224 8.309 1.00 0.00 O ATOM 948 CB LEU A 58 -3.787 -5.715 11.622 1.00 0.00 C ATOM 949 CG LEU A 58 -3.425 -5.854 13.103 1.00 0.00 C ATOM 950 CD1 LEU A 58 -2.388 -4.815 13.498 1.00 0.00 C ATOM 951 CD2 LEU A 58 -4.670 -5.725 13.968 1.00 0.00 C ATOM 0 H LEU A 58 -2.874 -3.926 9.867 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.789 -6.359 11.160 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.254 -4.742 11.467 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.533 -6.470 11.373 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.996 -6.843 13.263 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.143 -4.929 14.554 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.488 -4.954 12.899 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.789 -3.816 13.324 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.396 -5.826 15.018 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.127 -4.749 13.805 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.381 -6.507 13.702 1.00 0.00 H new ATOM 963 N SER A 59 -3.425 -7.929 9.704 1.00 0.00 N ATOM 964 CA SER A 59 -3.845 -8.833 8.639 1.00 0.00 C ATOM 965 C SER A 59 -4.994 -9.722 9.102 1.00 0.00 C ATOM 966 O SER A 59 -5.108 -10.039 10.287 1.00 0.00 O ATOM 967 CB SER A 59 -2.668 -9.698 8.182 1.00 0.00 C ATOM 968 OG SER A 59 -3.115 -10.806 7.421 1.00 0.00 O ATOM 0 H SER A 59 -3.471 -8.331 10.640 1.00 0.00 H new ATOM 0 HA SER A 59 -4.191 -8.230 7.800 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.981 -9.097 7.586 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.112 -10.050 9.051 1.00 0.00 H new ATOM 0 HG SER A 59 -2.344 -11.262 7.023 1.00 0.00 H new ATOM 974 N ARG A 60 -5.844 -10.121 8.161 1.00 0.00 N ATOM 975 CA ARG A 60 -6.984 -10.973 8.475 1.00 0.00 C ATOM 976 C ARG A 60 -7.361 -11.839 7.277 1.00 0.00 C ATOM 977 O ARG A 60 -7.348 -11.378 6.136 1.00 0.00 O ATOM 978 CB ARG A 60 -8.182 -10.122 8.900 1.00 0.00 C ATOM 979 CG ARG A 60 -9.384 -10.940 9.342 1.00 0.00 C ATOM 980 CD ARG A 60 -10.570 -10.051 9.679 1.00 0.00 C ATOM 981 NE ARG A 60 -11.842 -10.681 9.334 1.00 0.00 N ATOM 982 CZ ARG A 60 -12.435 -11.611 10.078 1.00 0.00 C ATOM 983 NH1 ARG A 60 -11.875 -12.022 11.210 1.00 0.00 N ATOM 984 NH2 ARG A 60 -13.591 -12.132 9.691 1.00 0.00 N ATOM 0 H ARG A 60 -5.764 -9.868 7.176 1.00 0.00 H new ATOM 0 HA ARG A 60 -6.701 -11.627 9.300 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -7.880 -9.466 9.716 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -8.475 -9.481 8.068 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -9.663 -11.636 8.551 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -9.118 -11.539 10.213 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -10.558 -9.819 10.744 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -10.477 -9.105 9.145 1.00 0.00 H new ATOM 0 HE ARG A 60 -12.303 -10.391 8.472 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -10.986 -11.624 11.513 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -12.334 -12.735 11.776 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -14.026 -11.820 8.823 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -14.046 -12.845 10.261 1.00 0.00 H new ATOM 998 N TRP A 61 -7.697 -13.096 7.545 1.00 0.00 N ATOM 999 CA TRP A 61 -8.079 -14.028 6.490 1.00 0.00 C ATOM 1000 C TRP A 61 -9.585 -14.000 6.258 1.00 0.00 C ATOM 1001 O TRP A 61 -10.371 -14.083 7.202 1.00 0.00 O ATOM 1002 CB TRP A 61 -7.630 -15.446 6.845 1.00 0.00 C ATOM 1003 CG TRP A 61 -8.088 -15.892 8.200 1.00 0.00 C ATOM 1004 CD1 TRP A 61 -7.423 -15.737 9.382 1.00 0.00 C ATOM 1005 CD2 TRP A 61 -9.311 -16.566 8.514 1.00 0.00 C ATOM 1006 NE1 TRP A 61 -8.158 -16.274 10.411 1.00 0.00 N ATOM 1007 CE2 TRP A 61 -9.321 -16.789 9.903 1.00 0.00 C ATOM 1008 CE3 TRP A 61 -10.401 -17.003 7.754 1.00 0.00 C ATOM 1009 CZ2 TRP A 61 -10.378 -17.429 10.548 1.00 0.00 C ATOM 1010 CZ3 TRP A 61 -11.448 -17.639 8.395 1.00 0.00 C ATOM 1011 CH2 TRP A 61 -11.430 -17.845 9.780 1.00 0.00 C ATOM 0 H TRP A 61 -7.713 -13.493 8.484 1.00 0.00 H new ATOM 0 HA TRP A 61 -7.583 -13.719 5.570 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -8.011 -16.139 6.094 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -6.542 -15.496 6.802 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -6.460 -15.262 9.492 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -7.883 -16.287 11.393 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -10.424 -16.846 6.686 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -10.366 -17.590 11.616 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -12.294 -17.983 7.818 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -12.264 -18.343 10.251 1.00 0.00 H new ATOM 1022 N ASP A 62 -9.983 -13.885 4.995 1.00 0.00 N ATOM 1023 CA ASP A 62 -11.397 -13.847 4.639 1.00 0.00 C ATOM 1024 C ASP A 62 -11.817 -15.135 3.939 1.00 0.00 C ATOM 1025 O ASP A 62 -11.191 -15.558 2.966 1.00 0.00 O ATOM 1026 CB ASP A 62 -11.684 -12.645 3.737 1.00 0.00 C ATOM 1027 CG ASP A 62 -12.172 -11.440 4.517 1.00 0.00 C ATOM 1028 OD1 ASP A 62 -13.200 -10.851 4.119 1.00 0.00 O ATOM 1029 OD2 ASP A 62 -11.527 -11.085 5.526 1.00 0.00 O ATOM 0 H ASP A 62 -9.346 -13.817 4.201 1.00 0.00 H new ATOM 0 HA ASP A 62 -11.975 -13.750 5.558 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -10.778 -12.379 3.192 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -12.433 -12.922 2.995 1.00 0.00 H new ATOM 1035 N GLU A 63 -12.882 -15.753 4.444 1.00 0.00 N ATOM 1036 CA GLU A 63 -13.395 -16.997 3.875 1.00 0.00 C ATOM 1037 C GLU A 63 -13.678 -16.853 2.381 1.00 0.00 C ATOM 1038 O GLU A 63 -13.721 -17.844 1.653 1.00 0.00 O ATOM 1039 CB GLU A 63 -14.669 -17.425 4.607 1.00 0.00 C ATOM 1040 CG GLU A 63 -15.168 -18.803 4.203 1.00 0.00 C ATOM 1041 CD GLU A 63 -14.806 -19.873 5.214 1.00 0.00 C ATOM 1042 OE1 GLU A 63 -15.459 -20.937 5.211 1.00 0.00 O ATOM 1043 OE2 GLU A 63 -13.871 -19.646 6.010 1.00 0.00 O ATOM 0 H GLU A 63 -13.408 -15.411 5.248 1.00 0.00 H new ATOM 0 HA GLU A 63 -12.629 -17.762 4.002 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -14.482 -17.416 5.681 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -15.453 -16.693 4.414 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -16.251 -18.773 4.083 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -14.748 -19.068 3.233 1.00 0.00 H new ATOM 1051 N LYS A 64 -13.873 -15.617 1.930 1.00 0.00 N ATOM 1052 CA LYS A 64 -14.153 -15.354 0.522 1.00 0.00 C ATOM 1053 C LYS A 64 -12.866 -15.097 -0.260 1.00 0.00 C ATOM 1054 O LYS A 64 -12.880 -14.416 -1.285 1.00 0.00 O ATOM 1055 CB LYS A 64 -15.093 -14.155 0.385 1.00 0.00 C ATOM 1056 CG LYS A 64 -16.268 -14.191 1.348 1.00 0.00 C ATOM 1057 CD LYS A 64 -17.085 -12.910 1.279 1.00 0.00 C ATOM 1058 CE LYS A 64 -16.349 -11.745 1.920 1.00 0.00 C ATOM 1059 NZ LYS A 64 -16.573 -10.472 1.181 1.00 0.00 N ATOM 0 H LYS A 64 -13.842 -14.784 2.518 1.00 0.00 H new ATOM 0 HA LYS A 64 -14.634 -16.239 0.105 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -14.526 -13.239 0.550 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -15.472 -14.116 -0.636 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -16.906 -15.043 1.114 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -15.902 -14.336 2.365 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -17.306 -12.674 0.238 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -18.041 -13.059 1.782 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -16.681 -11.629 2.952 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -15.282 -11.963 1.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -16.054 -9.702 1.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -16.233 -10.574 0.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -17.589 -10.250 1.172 1.00 0.00 H new ATOM 1073 N GLY A 65 -11.756 -15.646 0.227 1.00 0.00 N ATOM 1074 CA GLY A 65 -10.483 -15.461 -0.444 1.00 0.00 C ATOM 1075 C GLY A 65 -10.034 -14.014 -0.447 1.00 0.00 C ATOM 1076 O GLY A 65 -9.695 -13.464 -1.495 1.00 0.00 O ATOM 0 H GLY A 65 -11.717 -16.215 1.073 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.725 -16.072 0.046 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -10.563 -15.816 -1.472 1.00 0.00 H new ATOM 1080 N ASN A 66 -10.031 -13.394 0.729 1.00 0.00 N ATOM 1081 CA ASN A 66 -9.620 -12.000 0.855 1.00 0.00 C ATOM 1082 C ASN A 66 -8.628 -11.826 2.002 1.00 0.00 C ATOM 1083 O ASN A 66 -8.581 -12.640 2.924 1.00 0.00 O ATOM 1084 CB ASN A 66 -10.841 -11.104 1.077 1.00 0.00 C ATOM 1085 CG ASN A 66 -11.281 -10.402 -0.191 1.00 0.00 C ATOM 1086 OD1 ASN A 66 -11.315 -11.000 -1.267 1.00 0.00 O ATOM 1087 ND2 ASN A 66 -11.621 -9.123 -0.073 1.00 0.00 N ATOM 0 H ASN A 66 -10.308 -13.834 1.607 1.00 0.00 H new ATOM 0 HA ASN A 66 -9.128 -11.707 -0.072 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -11.665 -11.706 1.460 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -10.608 -10.360 1.839 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -11.925 -8.598 -0.893 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -11.578 -8.666 0.838 1.00 0.00 H new ATOM 1094 N TRP A 67 -7.835 -10.761 1.935 1.00 0.00 N ATOM 1095 CA TRP A 67 -6.843 -10.482 2.968 1.00 0.00 C ATOM 1096 C TRP A 67 -6.937 -9.034 3.434 1.00 0.00 C ATOM 1097 O TRP A 67 -6.281 -8.149 2.882 1.00 0.00 O ATOM 1098 CB TRP A 67 -5.436 -10.773 2.444 1.00 0.00 C ATOM 1099 CG TRP A 67 -5.081 -12.228 2.468 1.00 0.00 C ATOM 1100 CD1 TRP A 67 -5.374 -13.159 1.514 1.00 0.00 C ATOM 1101 CD2 TRP A 67 -4.369 -12.920 3.500 1.00 0.00 C ATOM 1102 NE1 TRP A 67 -4.887 -14.387 1.888 1.00 0.00 N ATOM 1103 CE2 TRP A 67 -4.266 -14.267 3.104 1.00 0.00 C ATOM 1104 CE3 TRP A 67 -3.809 -12.532 4.720 1.00 0.00 C ATOM 1105 CZ2 TRP A 67 -3.624 -15.226 3.885 1.00 0.00 C ATOM 1106 CZ3 TRP A 67 -3.171 -13.484 5.493 1.00 0.00 C ATOM 1107 CH2 TRP A 67 -3.084 -14.817 5.074 1.00 0.00 C ATOM 0 H TRP A 67 -7.860 -10.078 1.178 1.00 0.00 H new ATOM 0 HA TRP A 67 -7.047 -11.132 3.819 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -5.353 -10.403 1.422 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -4.712 -10.220 3.042 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -5.911 -12.959 0.598 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -4.973 -15.248 1.349 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -3.873 -11.507 5.053 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -3.555 -16.255 3.564 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -2.732 -13.194 6.436 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -2.580 -15.537 5.702 1.00 0.00 H new ATOM 1118 N HIS A 68 -7.754 -8.797 4.454 1.00 0.00 N ATOM 1119 CA HIS A 68 -7.933 -7.455 4.997 1.00 0.00 C ATOM 1120 C HIS A 68 -6.680 -6.996 5.736 1.00 0.00 C ATOM 1121 O HIS A 68 -6.074 -7.762 6.485 1.00 0.00 O ATOM 1122 CB HIS A 68 -9.137 -7.418 5.939 1.00 0.00 C ATOM 1123 CG HIS A 68 -10.452 -7.549 5.235 1.00 0.00 C ATOM 1124 ND1 HIS A 68 -10.677 -8.461 4.224 1.00 0.00 N ATOM 1125 CD2 HIS A 68 -11.617 -6.878 5.400 1.00 0.00 C ATOM 1126 CE1 HIS A 68 -11.923 -8.343 3.798 1.00 0.00 C ATOM 1127 NE2 HIS A 68 -12.513 -7.390 4.496 1.00 0.00 N ATOM 0 H HIS A 68 -8.304 -9.517 4.922 1.00 0.00 H new ATOM 0 HA HIS A 68 -8.112 -6.775 4.164 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -9.043 -8.223 6.668 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -9.124 -6.481 6.496 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -11.805 -6.087 6.111 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -12.380 -8.927 3.013 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -13.479 -7.084 4.382 1.00 0.00 H new ATOM 1136 N GLY A 69 -6.298 -5.742 5.520 1.00 0.00 N ATOM 1137 CA GLY A 69 -5.119 -5.203 6.173 1.00 0.00 C ATOM 1138 C GLY A 69 -5.355 -3.821 6.748 1.00 0.00 C ATOM 1139 O GLY A 69 -5.888 -2.942 6.070 1.00 0.00 O ATOM 0 H GLY A 69 -6.783 -5.089 4.905 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -4.810 -5.877 6.972 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -4.299 -5.160 5.457 1.00 0.00 H new ATOM 1143 N LEU A 70 -4.958 -3.627 8.002 1.00 0.00 N ATOM 1144 CA LEU A 70 -5.129 -2.341 8.668 1.00 0.00 C ATOM 1145 C LEU A 70 -3.931 -1.433 8.414 1.00 0.00 C ATOM 1146 O LEU A 70 -2.790 -1.891 8.370 1.00 0.00 O ATOM 1147 CB LEU A 70 -5.320 -2.543 10.172 1.00 0.00 C ATOM 1148 CG LEU A 70 -6.250 -1.535 10.849 1.00 0.00 C ATOM 1149 CD1 LEU A 70 -5.625 -0.148 10.849 1.00 0.00 C ATOM 1150 CD2 LEU A 70 -7.603 -1.512 10.155 1.00 0.00 C ATOM 0 H LEU A 70 -4.516 -4.344 8.577 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.018 -1.863 8.257 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.712 -3.546 10.341 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.344 -2.496 10.656 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.399 -1.843 11.884 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -6.301 0.556 11.335 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.679 -0.175 11.390 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.446 0.171 9.822 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -8.253 -0.790 10.649 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -7.472 -1.228 9.111 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -8.055 -2.502 10.207 1.00 0.00 H new ATOM 1162 N TYR A 71 -4.198 -0.141 8.247 1.00 0.00 N ATOM 1163 CA TYR A 71 -3.140 0.832 7.998 1.00 0.00 C ATOM 1164 C TYR A 71 -3.182 1.958 9.027 1.00 0.00 C ATOM 1165 O TYR A 71 -4.167 2.689 9.122 1.00 0.00 O ATOM 1166 CB TYR A 71 -3.272 1.409 6.587 1.00 0.00 C ATOM 1167 CG TYR A 71 -2.409 0.708 5.562 1.00 0.00 C ATOM 1168 CD1 TYR A 71 -2.457 -0.672 5.412 1.00 0.00 C ATOM 1169 CD2 TYR A 71 -1.546 1.427 4.745 1.00 0.00 C ATOM 1170 CE1 TYR A 71 -1.669 -1.316 4.477 1.00 0.00 C ATOM 1171 CE2 TYR A 71 -0.756 0.790 3.807 1.00 0.00 C ATOM 1172 CZ TYR A 71 -0.821 -0.580 3.677 1.00 0.00 C ATOM 1173 OH TYR A 71 -0.035 -1.218 2.744 1.00 0.00 O ATOM 0 H TYR A 71 -5.137 0.256 8.280 1.00 0.00 H new ATOM 0 HA TYR A 71 -2.182 0.320 8.086 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -4.314 1.348 6.275 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -3.008 2.466 6.610 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -3.121 -1.251 6.036 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -1.491 2.501 4.844 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -1.717 -2.390 4.374 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -0.091 1.364 3.179 1.00 0.00 H new ATOM 0 HH TYR A 71 0.904 -0.974 2.885 1.00 0.00 H new ATOM 1183 N ALA A 72 -2.105 2.090 9.795 1.00 0.00 N ATOM 1184 CA ALA A 72 -2.018 3.126 10.816 1.00 0.00 C ATOM 1185 C ALA A 72 -0.596 3.664 10.930 1.00 0.00 C ATOM 1186 O ALA A 72 0.305 2.968 11.398 1.00 0.00 O ATOM 1187 CB ALA A 72 -2.489 2.586 12.158 1.00 0.00 C ATOM 0 H ALA A 72 -1.281 1.492 9.729 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.668 3.949 10.520 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -2.418 3.371 12.911 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.524 2.256 12.074 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -1.862 1.744 12.452 1.00 0.00 H new ATOM 1193 N MET A 73 -0.402 4.905 10.497 1.00 0.00 N ATOM 1194 CA MET A 73 0.912 5.537 10.550 1.00 0.00 C ATOM 1195 C MET A 73 0.798 6.994 10.985 1.00 0.00 C ATOM 1196 O MET A 73 -0.300 7.504 11.206 1.00 0.00 O ATOM 1197 CB MET A 73 1.596 5.451 9.185 1.00 0.00 C ATOM 1198 CG MET A 73 0.844 6.177 8.081 1.00 0.00 C ATOM 1199 SD MET A 73 1.946 6.974 6.898 1.00 0.00 S ATOM 1200 CE MET A 73 0.992 8.430 6.474 1.00 0.00 C ATOM 0 H MET A 73 -1.137 5.493 10.105 1.00 0.00 H new ATOM 0 HA MET A 73 1.515 5.005 11.285 1.00 0.00 H new ATOM 0 HB2 MET A 73 2.600 5.868 9.264 1.00 0.00 H new ATOM 0 HB3 MET A 73 1.707 4.402 8.909 1.00 0.00 H new ATOM 0 HG2 MET A 73 0.205 5.468 7.555 1.00 0.00 H new ATOM 0 HG3 MET A 73 0.190 6.927 8.525 1.00 0.00 H new ATOM 0 HE1 MET A 73 1.604 9.105 5.876 1.00 0.00 H new ATOM 0 HE2 MET A 73 0.112 8.135 5.902 1.00 0.00 H new ATOM 0 HE3 MET A 73 0.678 8.938 7.386 1.00 0.00 H new ATOM 1210 N ALA A 74 1.943 7.659 11.107 1.00 0.00 N ATOM 1211 CA ALA A 74 1.973 9.059 11.515 1.00 0.00 C ATOM 1212 C ALA A 74 3.177 9.777 10.916 1.00 0.00 C ATOM 1213 O ALA A 74 4.282 9.234 10.880 1.00 0.00 O ATOM 1214 CB ALA A 74 1.994 9.165 13.032 1.00 0.00 C ATOM 0 H ALA A 74 2.861 7.251 10.929 1.00 0.00 H new ATOM 0 HA ALA A 74 1.070 9.542 11.141 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.016 10.215 13.323 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.101 8.694 13.442 1.00 0.00 H new ATOM 0 HB3 ALA A 74 2.880 8.662 13.420 1.00 0.00 H new ATOM 1220 N PHE A 75 2.958 11.000 10.445 1.00 0.00 N ATOM 1221 CA PHE A 75 4.028 11.792 9.848 1.00 0.00 C ATOM 1222 C PHE A 75 4.350 13.009 10.708 1.00 0.00 C ATOM 1223 O PHE A 75 3.481 13.836 10.982 1.00 0.00 O ATOM 1224 CB PHE A 75 3.636 12.239 8.438 1.00 0.00 C ATOM 1225 CG PHE A 75 2.242 12.791 8.348 1.00 0.00 C ATOM 1226 CD1 PHE A 75 1.982 14.109 8.690 1.00 0.00 C ATOM 1227 CD2 PHE A 75 1.192 11.993 7.922 1.00 0.00 C ATOM 1228 CE1 PHE A 75 0.700 14.620 8.608 1.00 0.00 C ATOM 1229 CE2 PHE A 75 -0.091 12.498 7.838 1.00 0.00 C ATOM 1230 CZ PHE A 75 -0.337 13.813 8.181 1.00 0.00 C ATOM 0 H PHE A 75 2.050 11.464 10.465 1.00 0.00 H new ATOM 0 HA PHE A 75 4.918 11.166 9.789 1.00 0.00 H new ATOM 0 HB2 PHE A 75 4.341 12.997 8.097 1.00 0.00 H new ATOM 0 HB3 PHE A 75 3.727 11.391 7.759 1.00 0.00 H new ATOM 0 HD1 PHE A 75 2.790 14.743 9.024 1.00 0.00 H new ATOM 0 HD2 PHE A 75 1.379 10.964 7.652 1.00 0.00 H new ATOM 0 HE1 PHE A 75 0.509 15.648 8.877 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -0.900 11.866 7.505 1.00 0.00 H new ATOM 0 HZ PHE A 75 -1.339 14.210 8.116 1.00 0.00 H new ATOM 1240 N LYS A 76 5.606 13.113 11.132 1.00 0.00 N ATOM 1241 CA LYS A 76 6.045 14.229 11.961 1.00 0.00 C ATOM 1242 C LYS A 76 7.054 15.097 11.216 1.00 0.00 C ATOM 1243 O LYS A 76 7.918 14.589 10.502 1.00 0.00 O ATOM 1244 CB LYS A 76 6.663 13.712 13.262 1.00 0.00 C ATOM 1245 CG LYS A 76 7.841 12.776 13.047 1.00 0.00 C ATOM 1246 CD LYS A 76 7.398 11.324 12.992 1.00 0.00 C ATOM 1247 CE LYS A 76 7.561 10.639 14.339 1.00 0.00 C ATOM 1248 NZ LYS A 76 8.794 9.805 14.392 1.00 0.00 N ATOM 0 H LYS A 76 6.338 12.437 10.914 1.00 0.00 H new ATOM 0 HA LYS A 76 5.173 14.839 12.197 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.990 14.561 13.862 1.00 0.00 H new ATOM 0 HB3 LYS A 76 5.897 13.192 13.837 1.00 0.00 H new ATOM 0 HG2 LYS A 76 8.350 13.037 12.119 1.00 0.00 H new ATOM 0 HG3 LYS A 76 8.562 12.907 13.854 1.00 0.00 H new ATOM 0 HD2 LYS A 76 6.355 11.273 12.681 1.00 0.00 H new ATOM 0 HD3 LYS A 76 7.982 10.793 12.240 1.00 0.00 H new ATOM 0 HE2 LYS A 76 7.597 11.391 15.127 1.00 0.00 H new ATOM 0 HE3 LYS A 76 6.691 10.013 14.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 8.869 9.355 15.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 8.748 9.071 13.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 9.627 10.406 14.230 1.00 0.00 H new ATOM 1262 N ASP A 77 6.937 16.410 11.389 1.00 0.00 N ATOM 1263 CA ASP A 77 7.839 17.350 10.732 1.00 0.00 C ATOM 1264 C ASP A 77 8.597 18.186 11.760 1.00 0.00 C ATOM 1265 O ASP A 77 8.275 18.166 12.948 1.00 0.00 O ATOM 1266 CB ASP A 77 7.057 18.268 9.791 1.00 0.00 C ATOM 1267 CG ASP A 77 6.635 17.565 8.515 1.00 0.00 C ATOM 1268 OD1 ASP A 77 5.478 17.100 8.449 1.00 0.00 O ATOM 1269 OD2 ASP A 77 7.463 17.479 7.584 1.00 0.00 O ATOM 0 H ASP A 77 6.228 16.847 11.978 1.00 0.00 H new ATOM 0 HA ASP A 77 8.561 16.775 10.152 1.00 0.00 H new ATOM 0 HB2 ASP A 77 6.172 18.643 10.306 1.00 0.00 H new ATOM 0 HB3 ASP A 77 7.670 19.134 9.540 1.00 0.00 H new ATOM 1275 N SER A 78 9.604 18.917 11.295 1.00 0.00 N ATOM 1276 CA SER A 78 10.408 19.759 12.173 1.00 0.00 C ATOM 1277 C SER A 78 9.609 20.969 12.648 1.00 0.00 C ATOM 1278 O SER A 78 9.843 21.491 13.739 1.00 0.00 O ATOM 1279 CB SER A 78 11.675 20.221 11.452 1.00 0.00 C ATOM 1280 OG SER A 78 12.607 19.161 11.329 1.00 0.00 O ATOM 0 H SER A 78 9.883 18.943 10.314 1.00 0.00 H new ATOM 0 HA SER A 78 10.690 19.167 13.044 1.00 0.00 H new ATOM 0 HB2 SER A 78 11.417 20.599 10.463 1.00 0.00 H new ATOM 0 HB3 SER A 78 12.129 21.047 12.000 1.00 0.00 H new ATOM 0 HG SER A 78 13.407 19.482 10.863 1.00 0.00 H new ATOM 1286 N TRP A 79 8.666 21.413 11.823 1.00 0.00 N ATOM 1287 CA TRP A 79 7.832 22.561 12.160 1.00 0.00 C ATOM 1288 C TRP A 79 6.362 22.164 12.217 1.00 0.00 C ATOM 1289 O TRP A 79 5.628 22.587 13.110 1.00 0.00 O ATOM 1290 CB TRP A 79 8.032 23.680 11.136 1.00 0.00 C ATOM 1291 CG TRP A 79 7.816 25.050 11.703 1.00 0.00 C ATOM 1292 CD1 TRP A 79 6.966 26.008 11.231 1.00 0.00 C ATOM 1293 CD2 TRP A 79 8.463 25.616 12.849 1.00 0.00 C ATOM 1294 NE1 TRP A 79 7.045 27.135 12.013 1.00 0.00 N ATOM 1295 CE2 TRP A 79 7.956 26.918 13.013 1.00 0.00 C ATOM 1296 CE3 TRP A 79 9.421 25.147 13.752 1.00 0.00 C ATOM 1297 CZ2 TRP A 79 8.375 27.756 14.044 1.00 0.00 C ATOM 1298 CZ3 TRP A 79 9.836 25.980 14.776 1.00 0.00 C ATOM 1299 CH2 TRP A 79 9.313 27.271 14.914 1.00 0.00 C ATOM 0 H TRP A 79 8.460 20.995 10.916 1.00 0.00 H new ATOM 0 HA TRP A 79 8.131 22.922 13.144 1.00 0.00 H new ATOM 0 HB2 TRP A 79 9.043 23.617 10.732 1.00 0.00 H new ATOM 0 HB3 TRP A 79 7.346 23.527 10.303 1.00 0.00 H new ATOM 0 HD1 TRP A 79 6.325 25.896 10.369 1.00 0.00 H new ATOM 0 HE1 TRP A 79 6.512 27.993 11.872 1.00 0.00 H new ATOM 0 HE3 TRP A 79 9.830 24.152 13.652 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 7.974 28.753 14.153 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 10.575 25.628 15.480 1.00 0.00 H new ATOM 0 HH2 TRP A 79 9.657 27.897 15.724 1.00 0.00 H new ATOM 1310 N ASN A 80 5.937 21.350 11.256 1.00 0.00 N ATOM 1311 CA ASN A 80 4.554 20.893 11.196 1.00 0.00 C ATOM 1312 C ASN A 80 4.303 19.787 12.216 1.00 0.00 C ATOM 1313 O ASN A 80 4.931 18.729 12.166 1.00 0.00 O ATOM 1314 CB ASN A 80 4.220 20.394 9.790 1.00 0.00 C ATOM 1315 CG ASN A 80 3.638 21.483 8.912 1.00 0.00 C ATOM 1316 OD1 ASN A 80 4.111 21.723 7.801 1.00 0.00 O ATOM 1317 ND2 ASN A 80 2.603 22.153 9.408 1.00 0.00 N ATOM 0 H ASN A 80 6.531 20.993 10.508 1.00 0.00 H new ATOM 0 HA ASN A 80 3.907 21.737 11.436 1.00 0.00 H new ATOM 0 HB2 ASN A 80 5.123 19.999 9.324 1.00 0.00 H new ATOM 0 HB3 ASN A 80 3.511 19.569 9.859 1.00 0.00 H new ATOM 0 HD21 ASN A 80 2.170 22.898 8.863 1.00 0.00 H new ATOM 0 HD22 ASN A 80 2.242 21.922 10.334 1.00 0.00 H new ATOM 1324 N LYS A 81 3.384 20.040 13.141 1.00 0.00 N ATOM 1325 CA LYS A 81 3.048 19.067 14.176 1.00 0.00 C ATOM 1326 C LYS A 81 2.673 17.721 13.563 1.00 0.00 C ATOM 1327 O LYS A 81 2.005 17.663 12.530 1.00 0.00 O ATOM 1328 CB LYS A 81 1.895 19.586 15.039 1.00 0.00 C ATOM 1329 CG LYS A 81 2.352 20.398 16.239 1.00 0.00 C ATOM 1330 CD LYS A 81 1.459 20.158 17.446 1.00 0.00 C ATOM 1331 CE LYS A 81 2.058 20.753 18.710 1.00 0.00 C ATOM 1332 NZ LYS A 81 1.808 19.895 19.901 1.00 0.00 N ATOM 0 H LYS A 81 2.857 20.912 13.196 1.00 0.00 H new ATOM 0 HA LYS A 81 3.929 18.926 14.803 1.00 0.00 H new ATOM 0 HB2 LYS A 81 1.239 20.201 14.423 1.00 0.00 H new ATOM 0 HB3 LYS A 81 1.303 18.740 15.387 1.00 0.00 H new ATOM 0 HG2 LYS A 81 3.380 20.135 16.488 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.346 21.458 15.986 1.00 0.00 H new ATOM 0 HD2 LYS A 81 0.477 20.596 17.266 1.00 0.00 H new ATOM 0 HD3 LYS A 81 1.310 19.087 17.582 1.00 0.00 H new ATOM 0 HE2 LYS A 81 3.132 20.884 18.576 1.00 0.00 H new ATOM 0 HE3 LYS A 81 1.635 21.743 18.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 2.232 20.336 20.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 0.783 19.791 20.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 2.233 18.958 19.749 1.00 0.00 H new ATOM 1346 N TRP A 82 3.107 16.642 14.206 1.00 0.00 N ATOM 1347 CA TRP A 82 2.817 15.297 13.725 1.00 0.00 C ATOM 1348 C TRP A 82 1.313 15.052 13.665 1.00 0.00 C ATOM 1349 O TRP A 82 0.545 15.660 14.411 1.00 0.00 O ATOM 1350 CB TRP A 82 3.480 14.256 14.628 1.00 0.00 C ATOM 1351 CG TRP A 82 3.020 14.326 16.053 1.00 0.00 C ATOM 1352 CD1 TRP A 82 1.919 13.722 16.590 1.00 0.00 C ATOM 1353 CD2 TRP A 82 3.648 15.043 17.122 1.00 0.00 C ATOM 1354 NE1 TRP A 82 1.826 14.019 17.929 1.00 0.00 N ATOM 1355 CE2 TRP A 82 2.876 14.828 18.278 1.00 0.00 C ATOM 1356 CE3 TRP A 82 4.790 15.844 17.214 1.00 0.00 C ATOM 1357 CZ2 TRP A 82 3.207 15.386 19.511 1.00 0.00 C ATOM 1358 CZ3 TRP A 82 5.119 16.397 18.437 1.00 0.00 C ATOM 1359 CH2 TRP A 82 4.330 16.166 19.571 1.00 0.00 C ATOM 0 H TRP A 82 3.661 16.673 15.062 1.00 0.00 H new ATOM 0 HA TRP A 82 3.222 15.204 12.717 1.00 0.00 H new ATOM 0 HB2 TRP A 82 3.273 13.260 14.235 1.00 0.00 H new ATOM 0 HB3 TRP A 82 4.561 14.393 14.596 1.00 0.00 H new ATOM 0 HD1 TRP A 82 1.224 13.102 16.043 1.00 0.00 H new ATOM 0 HE1 TRP A 82 1.095 13.691 18.560 1.00 0.00 H new ATOM 0 HE3 TRP A 82 5.404 16.027 16.345 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 2.600 15.210 20.387 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 5.999 17.018 18.520 1.00 0.00 H new ATOM 0 HH2 TRP A 82 4.614 16.613 20.512 1.00 0.00 H new ATOM 1370 N GLU A 83 0.899 14.159 12.773 1.00 0.00 N ATOM 1371 CA GLU A 83 -0.514 13.834 12.616 1.00 0.00 C ATOM 1372 C GLU A 83 -0.696 12.363 12.243 1.00 0.00 C ATOM 1373 O GLU A 83 -0.121 11.890 11.262 1.00 0.00 O ATOM 1374 CB GLU A 83 -1.146 14.725 11.546 1.00 0.00 C ATOM 1375 CG GLU A 83 -1.752 16.005 12.100 1.00 0.00 C ATOM 1376 CD GLU A 83 -3.260 15.925 12.232 1.00 0.00 C ATOM 1377 OE1 GLU A 83 -3.740 15.199 13.128 1.00 0.00 O ATOM 1378 OE2 GLU A 83 -3.962 16.591 11.442 1.00 0.00 O ATOM 0 H GLU A 83 1.522 13.647 12.148 1.00 0.00 H new ATOM 0 HA GLU A 83 -1.012 14.013 13.569 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -0.389 14.982 10.806 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -1.921 14.161 11.027 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -1.316 16.216 13.076 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -1.492 16.838 11.447 1.00 0.00 H new ATOM 1386 N PRO A 84 -1.500 11.615 13.023 1.00 0.00 N ATOM 1387 CA PRO A 84 -1.749 10.196 12.763 1.00 0.00 C ATOM 1388 C PRO A 84 -2.794 9.979 11.674 1.00 0.00 C ATOM 1389 O PRO A 84 -3.466 10.918 11.248 1.00 0.00 O ATOM 1390 CB PRO A 84 -2.267 9.692 14.108 1.00 0.00 C ATOM 1391 CG PRO A 84 -2.965 10.868 14.701 1.00 0.00 C ATOM 1392 CD PRO A 84 -2.226 12.090 14.218 1.00 0.00 C ATOM 0 HA PRO A 84 -0.859 9.679 12.404 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -2.946 8.849 13.982 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -1.451 9.351 14.746 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -4.009 10.897 14.390 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -2.958 10.815 15.790 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -2.912 12.901 13.973 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -1.542 12.469 14.977 1.00 0.00 H new ATOM 1400 N ILE A 85 -2.925 8.735 11.227 1.00 0.00 N ATOM 1401 CA ILE A 85 -3.889 8.391 10.190 1.00 0.00 C ATOM 1402 C ILE A 85 -4.271 6.916 10.266 1.00 0.00 C ATOM 1403 O ILE A 85 -3.410 6.038 10.202 1.00 0.00 O ATOM 1404 CB ILE A 85 -3.339 8.705 8.782 1.00 0.00 C ATOM 1405 CG1 ILE A 85 -4.410 8.451 7.721 1.00 0.00 C ATOM 1406 CG2 ILE A 85 -2.095 7.876 8.498 1.00 0.00 C ATOM 1407 CD1 ILE A 85 -4.008 8.909 6.335 1.00 0.00 C ATOM 0 H ILE A 85 -2.374 7.947 11.568 1.00 0.00 H new ATOM 0 HA ILE A 85 -4.776 9.000 10.364 1.00 0.00 H new ATOM 0 HB ILE A 85 -3.063 9.759 8.746 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -4.635 7.385 7.692 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -5.327 8.963 8.012 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -1.721 8.110 7.501 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -1.328 8.107 9.237 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -2.344 6.816 8.552 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -4.815 8.698 5.634 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -3.811 9.981 6.349 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -3.108 8.379 6.023 1.00 0.00 H new ATOM 1419 N ALA A 86 -5.566 6.650 10.404 1.00 0.00 N ATOM 1420 CA ALA A 86 -6.059 5.281 10.491 1.00 0.00 C ATOM 1421 C ALA A 86 -7.101 5.000 9.415 1.00 0.00 C ATOM 1422 O ALA A 86 -7.896 5.871 9.065 1.00 0.00 O ATOM 1423 CB ALA A 86 -6.640 5.017 11.873 1.00 0.00 C ATOM 0 H ALA A 86 -6.292 7.364 10.458 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.217 4.608 10.326 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -7.005 3.991 11.925 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -5.867 5.166 12.627 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -7.465 5.705 12.058 1.00 0.00 H new ATOM 1429 N GLY A 87 -7.093 3.776 8.897 1.00 0.00 N ATOM 1430 CA GLY A 87 -8.043 3.400 7.866 1.00 0.00 C ATOM 1431 C GLY A 87 -8.026 1.912 7.577 1.00 0.00 C ATOM 1432 O GLY A 87 -7.228 1.171 8.150 1.00 0.00 O ATOM 0 H GLY A 87 -6.446 3.038 9.173 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -9.046 3.696 8.175 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.817 3.947 6.951 1.00 0.00 H new ATOM 1436 N TYR A 88 -8.909 1.475 6.685 1.00 0.00 N ATOM 1437 CA TYR A 88 -8.993 0.066 6.320 1.00 0.00 C ATOM 1438 C TYR A 88 -8.718 -0.129 4.834 1.00 0.00 C ATOM 1439 O TYR A 88 -8.974 0.760 4.022 1.00 0.00 O ATOM 1440 CB TYR A 88 -10.375 -0.492 6.672 1.00 0.00 C ATOM 1441 CG TYR A 88 -10.451 -1.089 8.059 1.00 0.00 C ATOM 1442 CD1 TYR A 88 -10.727 -0.293 9.164 1.00 0.00 C ATOM 1443 CD2 TYR A 88 -10.248 -2.447 8.264 1.00 0.00 C ATOM 1444 CE1 TYR A 88 -10.798 -0.835 10.434 1.00 0.00 C ATOM 1445 CE2 TYR A 88 -10.318 -2.997 9.531 1.00 0.00 C ATOM 1446 CZ TYR A 88 -10.593 -2.187 10.611 1.00 0.00 C ATOM 1447 OH TYR A 88 -10.663 -2.730 11.874 1.00 0.00 O ATOM 0 H TYR A 88 -9.576 2.076 6.202 1.00 0.00 H new ATOM 0 HA TYR A 88 -8.234 -0.475 6.885 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -11.112 0.307 6.588 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -10.647 -1.254 5.942 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -10.889 0.766 9.029 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -10.032 -3.085 7.420 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -11.013 -0.203 11.283 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -10.158 -4.056 9.673 1.00 0.00 H new ATOM 0 HH TYR A 88 -10.496 -3.694 11.825 1.00 0.00 H new ATOM 1457 N GLY A 89 -8.194 -1.299 4.482 1.00 0.00 N ATOM 1458 CA GLY A 89 -7.893 -1.589 3.093 1.00 0.00 C ATOM 1459 C GLY A 89 -7.914 -3.074 2.792 1.00 0.00 C ATOM 1460 O GLY A 89 -7.756 -3.899 3.691 1.00 0.00 O ATOM 0 H GLY A 89 -7.973 -2.051 5.134 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -8.616 -1.082 2.454 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -6.911 -1.185 2.845 1.00 0.00 H new ATOM 1464 N TRP A 90 -8.110 -3.416 1.522 1.00 0.00 N ATOM 1465 CA TRP A 90 -8.152 -4.812 1.104 1.00 0.00 C ATOM 1466 C TRP A 90 -6.980 -5.140 0.186 1.00 0.00 C ATOM 1467 O TRP A 90 -6.522 -4.292 -0.580 1.00 0.00 O ATOM 1468 CB TRP A 90 -9.473 -5.113 0.392 1.00 0.00 C ATOM 1469 CG TRP A 90 -10.679 -4.699 1.180 1.00 0.00 C ATOM 1470 CD1 TRP A 90 -11.473 -5.503 1.946 1.00 0.00 C ATOM 1471 CD2 TRP A 90 -11.229 -3.381 1.276 1.00 0.00 C ATOM 1472 NE1 TRP A 90 -12.483 -4.765 2.514 1.00 0.00 N ATOM 1473 CE2 TRP A 90 -12.355 -3.459 2.118 1.00 0.00 C ATOM 1474 CE3 TRP A 90 -10.879 -2.141 0.734 1.00 0.00 C ATOM 1475 CZ2 TRP A 90 -13.131 -2.346 2.428 1.00 0.00 C ATOM 1476 CZ3 TRP A 90 -11.650 -1.037 1.043 1.00 0.00 C ATOM 1477 CH2 TRP A 90 -12.765 -1.145 1.884 1.00 0.00 C ATOM 0 H TRP A 90 -8.242 -2.745 0.765 1.00 0.00 H new ATOM 0 HA TRP A 90 -8.077 -5.435 1.995 1.00 0.00 H new ATOM 0 HB2 TRP A 90 -9.484 -4.602 -0.571 1.00 0.00 H new ATOM 0 HB3 TRP A 90 -9.531 -6.182 0.186 1.00 0.00 H new ATOM 0 HD1 TRP A 90 -11.328 -6.564 2.085 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -13.210 -5.130 3.130 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -10.021 -2.048 0.085 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 -13.992 -2.427 3.075 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -11.389 -0.074 0.629 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -13.347 -0.263 2.107 1.00 0.00 H new ATOM 1488 N GLU A 91 -6.498 -6.376 0.267 1.00 0.00 N ATOM 1489 CA GLU A 91 -5.378 -6.816 -0.556 1.00 0.00 C ATOM 1490 C GLU A 91 -5.512 -8.292 -0.915 1.00 0.00 C ATOM 1491 O GLU A 91 -6.128 -9.066 -0.181 1.00 0.00 O ATOM 1492 CB GLU A 91 -4.055 -6.574 0.174 1.00 0.00 C ATOM 1493 CG GLU A 91 -3.623 -5.117 0.183 1.00 0.00 C ATOM 1494 CD GLU A 91 -2.561 -4.831 1.226 1.00 0.00 C ATOM 1495 OE1 GLU A 91 -2.804 -5.124 2.416 1.00 0.00 O ATOM 1496 OE2 GLU A 91 -1.486 -4.316 0.854 1.00 0.00 O ATOM 0 H GLU A 91 -6.866 -7.091 0.895 1.00 0.00 H new ATOM 0 HA GLU A 91 -5.388 -6.235 -1.478 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -4.148 -6.923 1.202 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -3.275 -7.173 -0.297 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -3.241 -4.849 -0.802 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -4.491 -4.485 0.371 1.00 0.00 H new ATOM 1504 N SER A 92 -4.930 -8.676 -2.046 1.00 0.00 N ATOM 1505 CA SER A 92 -4.983 -10.060 -2.502 1.00 0.00 C ATOM 1506 C SER A 92 -3.588 -10.572 -2.846 1.00 0.00 C ATOM 1507 O SER A 92 -2.956 -10.095 -3.788 1.00 0.00 O ATOM 1508 CB SER A 92 -5.899 -10.183 -3.721 1.00 0.00 C ATOM 1509 OG SER A 92 -5.769 -9.059 -4.574 1.00 0.00 O ATOM 0 H SER A 92 -4.416 -8.048 -2.664 1.00 0.00 H new ATOM 0 HA SER A 92 -5.385 -10.669 -1.692 1.00 0.00 H new ATOM 0 HB2 SER A 92 -5.656 -11.091 -4.272 1.00 0.00 H new ATOM 0 HB3 SER A 92 -6.934 -10.277 -3.393 1.00 0.00 H new ATOM 0 HG SER A 92 -4.831 -8.778 -4.604 1.00 0.00 H new ATOM 1515 N THR A 93 -3.113 -11.544 -2.074 1.00 0.00 N ATOM 1516 CA THR A 93 -1.791 -12.120 -2.297 1.00 0.00 C ATOM 1517 C THR A 93 -1.832 -13.168 -3.404 1.00 0.00 C ATOM 1518 O THR A 93 -2.805 -13.910 -3.535 1.00 0.00 O ATOM 1519 CB THR A 93 -1.260 -12.746 -1.006 1.00 0.00 C ATOM 1520 OG1 THR A 93 -1.995 -13.911 -0.675 1.00 0.00 O ATOM 1521 CG2 THR A 93 -1.322 -11.810 0.182 1.00 0.00 C ATOM 0 H THR A 93 -3.623 -11.949 -1.289 1.00 0.00 H new ATOM 0 HA THR A 93 -1.121 -11.318 -2.607 1.00 0.00 H new ATOM 0 HB THR A 93 -0.215 -12.982 -1.207 1.00 0.00 H new ATOM 0 HG1 THR A 93 -1.640 -14.298 0.152 1.00 0.00 H new ATOM 0 HG21 THR A 93 -0.931 -12.316 1.065 1.00 0.00 H new ATOM 0 HG22 THR A 93 -0.724 -10.922 -0.023 1.00 0.00 H new ATOM 0 HG23 THR A 93 -2.357 -11.517 0.361 1.00 0.00 H new ATOM 1529 N TRP A 94 -0.767 -13.224 -4.197 1.00 0.00 N ATOM 1530 CA TRP A 94 -0.679 -14.182 -5.293 1.00 0.00 C ATOM 1531 C TRP A 94 0.674 -14.888 -5.287 1.00 0.00 C ATOM 1532 O TRP A 94 1.664 -14.351 -4.787 1.00 0.00 O ATOM 1533 CB TRP A 94 -0.898 -13.477 -6.634 1.00 0.00 C ATOM 1534 CG TRP A 94 -2.023 -14.059 -7.433 1.00 0.00 C ATOM 1535 CD1 TRP A 94 -1.954 -15.112 -8.300 1.00 0.00 C ATOM 1536 CD2 TRP A 94 -3.387 -13.621 -7.441 1.00 0.00 C ATOM 1537 NE1 TRP A 94 -3.190 -15.356 -8.846 1.00 0.00 N ATOM 1538 CE2 TRP A 94 -4.087 -14.454 -8.335 1.00 0.00 C ATOM 1539 CE3 TRP A 94 -4.083 -12.607 -6.779 1.00 0.00 C ATOM 1540 CZ2 TRP A 94 -5.449 -14.302 -8.582 1.00 0.00 C ATOM 1541 CZ3 TRP A 94 -5.435 -12.457 -7.025 1.00 0.00 C ATOM 1542 CH2 TRP A 94 -6.105 -13.301 -7.919 1.00 0.00 C ATOM 0 H TRP A 94 0.047 -12.617 -4.101 1.00 0.00 H new ATOM 0 HA TRP A 94 -1.460 -14.930 -5.155 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -1.099 -12.421 -6.453 1.00 0.00 H new ATOM 0 HB3 TRP A 94 0.020 -13.531 -7.219 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -1.058 -15.671 -8.524 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -3.406 -16.089 -9.522 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -3.574 -11.952 -6.087 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -5.969 -14.951 -9.272 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -5.983 -11.676 -6.519 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -7.162 -13.159 -8.089 1.00 0.00 H new ATOM 1553 N ARG A 95 0.710 -16.094 -5.844 1.00 0.00 N ATOM 1554 CA ARG A 95 1.942 -16.873 -5.901 1.00 0.00 C ATOM 1555 C ARG A 95 2.629 -16.708 -7.255 1.00 0.00 C ATOM 1556 O ARG A 95 1.965 -16.589 -8.286 1.00 0.00 O ATOM 1557 CB ARG A 95 1.647 -18.351 -5.641 1.00 0.00 C ATOM 1558 CG ARG A 95 1.037 -18.619 -4.276 1.00 0.00 C ATOM 1559 CD ARG A 95 0.423 -20.007 -4.202 1.00 0.00 C ATOM 1560 NE ARG A 95 1.381 -21.049 -4.565 1.00 0.00 N ATOM 1561 CZ ARG A 95 1.033 -22.282 -4.926 1.00 0.00 C ATOM 1562 NH1 ARG A 95 -0.247 -22.631 -4.973 1.00 0.00 N ATOM 1563 NH2 ARG A 95 1.968 -23.168 -5.241 1.00 0.00 N ATOM 0 H ARG A 95 -0.099 -16.553 -6.262 1.00 0.00 H new ATOM 0 HA ARG A 95 2.614 -16.502 -5.127 1.00 0.00 H new ATOM 0 HB2 ARG A 95 0.969 -18.718 -6.411 1.00 0.00 H new ATOM 0 HB3 ARG A 95 2.572 -18.919 -5.734 1.00 0.00 H new ATOM 0 HG2 ARG A 95 1.804 -18.518 -3.508 1.00 0.00 H new ATOM 0 HG3 ARG A 95 0.273 -17.871 -4.065 1.00 0.00 H new ATOM 0 HD2 ARG A 95 0.056 -20.188 -3.192 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -0.438 -20.058 -4.868 1.00 0.00 H new ATOM 0 HE ARG A 95 2.374 -20.818 -4.540 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -0.970 -21.953 -4.732 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -0.508 -23.577 -5.250 1.00 0.00 H new ATOM 0 HH21 ARG A 95 2.953 -22.904 -5.206 1.00 0.00 H new ATOM 0 HH22 ARG A 95 1.702 -24.113 -5.518 1.00 0.00 H new ATOM 1577 N PRO A 96 3.974 -16.699 -7.271 1.00 0.00 N ATOM 1578 CA PRO A 96 4.746 -16.548 -8.508 1.00 0.00 C ATOM 1579 C PRO A 96 4.688 -17.796 -9.383 1.00 0.00 C ATOM 1580 O PRO A 96 3.878 -18.693 -9.151 1.00 0.00 O ATOM 1581 CB PRO A 96 6.172 -16.313 -8.007 1.00 0.00 C ATOM 1582 CG PRO A 96 6.220 -16.983 -6.678 1.00 0.00 C ATOM 1583 CD PRO A 96 4.844 -16.835 -6.087 1.00 0.00 C ATOM 0 HA PRO A 96 4.361 -15.744 -9.134 1.00 0.00 H new ATOM 0 HB2 PRO A 96 6.907 -16.737 -8.691 1.00 0.00 H new ATOM 0 HB3 PRO A 96 6.392 -15.249 -7.922 1.00 0.00 H new ATOM 0 HG2 PRO A 96 6.489 -18.034 -6.781 1.00 0.00 H new ATOM 0 HG3 PRO A 96 6.971 -16.523 -6.036 1.00 0.00 H new ATOM 0 HD2 PRO A 96 4.570 -17.702 -5.485 1.00 0.00 H new ATOM 0 HD3 PRO A 96 4.778 -15.962 -5.438 1.00 0.00 H new ATOM 1591 N LEU A 97 5.554 -17.846 -10.391 1.00 0.00 N ATOM 1592 CA LEU A 97 5.602 -18.984 -11.303 1.00 0.00 C ATOM 1593 C LEU A 97 6.995 -19.606 -11.323 1.00 0.00 C ATOM 1594 O LEU A 97 7.139 -20.828 -11.292 1.00 0.00 O ATOM 1595 CB LEU A 97 5.201 -18.549 -12.715 1.00 0.00 C ATOM 1596 CG LEU A 97 3.749 -18.842 -13.095 1.00 0.00 C ATOM 1597 CD1 LEU A 97 3.431 -18.273 -14.468 1.00 0.00 C ATOM 1598 CD2 LEU A 97 3.483 -20.340 -13.063 1.00 0.00 C ATOM 0 H LEU A 97 6.232 -17.112 -10.597 1.00 0.00 H new ATOM 0 HA LEU A 97 4.895 -19.734 -10.948 1.00 0.00 H new ATOM 0 HB2 LEU A 97 5.377 -17.478 -12.812 1.00 0.00 H new ATOM 0 HB3 LEU A 97 5.855 -19.046 -13.431 1.00 0.00 H new ATOM 0 HG LEU A 97 3.098 -18.360 -12.365 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.394 -18.491 -14.721 1.00 0.00 H new ATOM 0 HD12 LEU A 97 3.583 -17.194 -14.459 1.00 0.00 H new ATOM 0 HD13 LEU A 97 4.088 -18.725 -15.210 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.445 -20.531 -13.336 1.00 0.00 H new ATOM 0 HD22 LEU A 97 4.143 -20.842 -13.771 1.00 0.00 H new ATOM 0 HD23 LEU A 97 3.670 -20.721 -12.059 1.00 0.00 H new ATOM 1610 N ALA A 98 8.016 -18.758 -11.377 1.00 0.00 N ATOM 1611 CA ALA A 98 9.396 -19.226 -11.402 1.00 0.00 C ATOM 1612 C ALA A 98 10.111 -18.908 -10.093 1.00 0.00 C ATOM 1613 O ALA A 98 11.267 -18.483 -10.092 1.00 0.00 O ATOM 1614 CB ALA A 98 10.140 -18.605 -12.577 1.00 0.00 C ATOM 0 H ALA A 98 7.914 -17.744 -11.404 1.00 0.00 H new ATOM 0 HA ALA A 98 9.384 -20.309 -11.522 1.00 0.00 H new ATOM 0 HB1 ALA A 98 11.170 -18.962 -12.585 1.00 0.00 H new ATOM 0 HB2 ALA A 98 9.650 -18.888 -13.509 1.00 0.00 H new ATOM 0 HB3 ALA A 98 10.133 -17.519 -12.479 1.00 0.00 H new ATOM 1620 N ASP A 99 9.416 -19.116 -8.980 1.00 0.00 N ATOM 1621 CA ASP A 99 9.984 -18.852 -7.664 1.00 0.00 C ATOM 1622 C ASP A 99 9.126 -19.473 -6.567 1.00 0.00 C ATOM 1623 O ASP A 99 7.934 -19.715 -6.760 1.00 0.00 O ATOM 1624 CB ASP A 99 10.116 -17.345 -7.434 1.00 0.00 C ATOM 1625 CG ASP A 99 11.490 -16.823 -7.804 1.00 0.00 C ATOM 1626 OD1 ASP A 99 11.647 -16.309 -8.932 1.00 0.00 O ATOM 1627 OD2 ASP A 99 12.411 -16.926 -6.965 1.00 0.00 O ATOM 0 H ASP A 99 8.458 -19.467 -8.963 1.00 0.00 H new ATOM 0 HA ASP A 99 10.974 -19.305 -7.626 1.00 0.00 H new ATOM 0 HB2 ASP A 99 9.361 -16.823 -8.022 1.00 0.00 H new ATOM 0 HB3 ASP A 99 9.915 -17.121 -6.386 1.00 0.00 H new ATOM 1633 N GLU A 100 9.738 -19.729 -5.417 1.00 0.00 N ATOM 1634 CA GLU A 100 9.030 -20.325 -4.289 1.00 0.00 C ATOM 1635 C GLU A 100 8.997 -19.372 -3.097 1.00 0.00 C ATOM 1636 O GLU A 100 8.024 -19.339 -2.344 1.00 0.00 O ATOM 1637 CB GLU A 100 9.691 -21.643 -3.883 1.00 0.00 C ATOM 1638 CG GLU A 100 8.711 -22.676 -3.351 1.00 0.00 C ATOM 1639 CD GLU A 100 7.796 -23.221 -4.430 1.00 0.00 C ATOM 1640 OE1 GLU A 100 7.660 -22.562 -5.483 1.00 0.00 O ATOM 1641 OE2 GLU A 100 7.214 -24.307 -4.223 1.00 0.00 O ATOM 0 H GLU A 100 10.723 -19.533 -5.240 1.00 0.00 H new ATOM 0 HA GLU A 100 8.004 -20.521 -4.602 1.00 0.00 H new ATOM 0 HB2 GLU A 100 10.212 -22.059 -4.745 1.00 0.00 H new ATOM 0 HB3 GLU A 100 10.444 -21.443 -3.121 1.00 0.00 H new ATOM 0 HG2 GLU A 100 9.265 -23.499 -2.900 1.00 0.00 H new ATOM 0 HG3 GLU A 100 8.108 -22.227 -2.561 1.00 0.00 H new ATOM 1649 N ASN A 101 10.066 -18.600 -2.930 1.00 0.00 N ATOM 1650 CA ASN A 101 10.156 -17.650 -1.827 1.00 0.00 C ATOM 1651 C ASN A 101 9.875 -16.228 -2.305 1.00 0.00 C ATOM 1652 O ASN A 101 10.470 -15.269 -1.814 1.00 0.00 O ATOM 1653 CB ASN A 101 11.542 -17.718 -1.181 1.00 0.00 C ATOM 1654 CG ASN A 101 11.602 -18.726 -0.050 1.00 0.00 C ATOM 1655 OD1 ASN A 101 11.328 -19.912 -0.243 1.00 0.00 O ATOM 1656 ND2 ASN A 101 11.963 -18.260 1.140 1.00 0.00 N ATOM 0 H ASN A 101 10.881 -18.614 -3.543 1.00 0.00 H new ATOM 0 HA ASN A 101 9.402 -17.920 -1.087 1.00 0.00 H new ATOM 0 HB2 ASN A 101 12.281 -17.981 -1.938 1.00 0.00 H new ATOM 0 HB3 ASN A 101 11.812 -16.733 -0.801 1.00 0.00 H new ATOM 0 HD21 ASN A 101 12.022 -18.892 1.939 1.00 0.00 H new ATOM 0 HD22 ASN A 101 12.181 -17.270 1.255 1.00 0.00 H new ATOM 1663 N PHE A 102 8.962 -16.100 -3.263 1.00 0.00 N ATOM 1664 CA PHE A 102 8.601 -14.794 -3.803 1.00 0.00 C ATOM 1665 C PHE A 102 7.101 -14.551 -3.679 1.00 0.00 C ATOM 1666 O PHE A 102 6.296 -15.460 -3.884 1.00 0.00 O ATOM 1667 CB PHE A 102 9.027 -14.688 -5.269 1.00 0.00 C ATOM 1668 CG PHE A 102 9.505 -13.318 -5.659 1.00 0.00 C ATOM 1669 CD1 PHE A 102 8.644 -12.233 -5.616 1.00 0.00 C ATOM 1670 CD2 PHE A 102 10.814 -13.117 -6.067 1.00 0.00 C ATOM 1671 CE1 PHE A 102 9.081 -10.971 -5.973 1.00 0.00 C ATOM 1672 CE2 PHE A 102 11.256 -11.857 -6.425 1.00 0.00 C ATOM 1673 CZ PHE A 102 10.388 -10.783 -6.378 1.00 0.00 C ATOM 0 H PHE A 102 8.460 -16.883 -3.681 1.00 0.00 H new ATOM 0 HA PHE A 102 9.124 -14.032 -3.225 1.00 0.00 H new ATOM 0 HB2 PHE A 102 9.822 -15.409 -5.461 1.00 0.00 H new ATOM 0 HB3 PHE A 102 8.185 -14.965 -5.904 1.00 0.00 H new ATOM 0 HD1 PHE A 102 7.621 -12.375 -5.300 1.00 0.00 H new ATOM 0 HD2 PHE A 102 11.496 -13.953 -6.106 1.00 0.00 H new ATOM 0 HE1 PHE A 102 8.401 -10.133 -5.935 1.00 0.00 H new ATOM 0 HE2 PHE A 102 12.279 -11.712 -6.741 1.00 0.00 H new ATOM 0 HZ PHE A 102 10.731 -9.798 -6.658 1.00 0.00 H new ATOM 1683 N HIS A 103 6.731 -13.318 -3.343 1.00 0.00 N ATOM 1684 CA HIS A 103 5.326 -12.956 -3.192 1.00 0.00 C ATOM 1685 C HIS A 103 4.967 -11.780 -4.095 1.00 0.00 C ATOM 1686 O HIS A 103 5.778 -10.879 -4.310 1.00 0.00 O ATOM 1687 CB HIS A 103 5.024 -12.606 -1.734 1.00 0.00 C ATOM 1688 CG HIS A 103 5.448 -13.663 -0.764 1.00 0.00 C ATOM 1689 ND1 HIS A 103 6.746 -13.800 -0.319 1.00 0.00 N ATOM 1690 CD2 HIS A 103 4.737 -14.641 -0.152 1.00 0.00 C ATOM 1691 CE1 HIS A 103 6.815 -14.816 0.524 1.00 0.00 C ATOM 1692 NE2 HIS A 103 5.610 -15.342 0.643 1.00 0.00 N ATOM 0 H HIS A 103 7.384 -12.554 -3.170 1.00 0.00 H new ATOM 0 HA HIS A 103 4.721 -13.814 -3.486 1.00 0.00 H new ATOM 0 HB2 HIS A 103 5.525 -11.671 -1.482 1.00 0.00 H new ATOM 0 HB3 HIS A 103 3.953 -12.433 -1.625 1.00 0.00 H new ATOM 0 HD2 HIS A 103 3.681 -14.833 -0.268 1.00 0.00 H new ATOM 0 HE1 HIS A 103 7.706 -15.158 1.030 1.00 0.00 H new ATOM 0 HE2 HIS A 103 5.367 -16.140 1.230 1.00 0.00 H new ATOM 1701 N LEU A 104 3.746 -11.796 -4.621 1.00 0.00 N ATOM 1702 CA LEU A 104 3.280 -10.731 -5.500 1.00 0.00 C ATOM 1703 C LEU A 104 1.759 -10.614 -5.454 1.00 0.00 C ATOM 1704 O LEU A 104 1.045 -11.604 -5.608 1.00 0.00 O ATOM 1705 CB LEU A 104 3.739 -10.989 -6.937 1.00 0.00 C ATOM 1706 CG LEU A 104 3.329 -12.344 -7.516 1.00 0.00 C ATOM 1707 CD1 LEU A 104 3.131 -12.244 -9.020 1.00 0.00 C ATOM 1708 CD2 LEU A 104 4.371 -13.401 -7.182 1.00 0.00 C ATOM 0 H LEU A 104 3.063 -12.534 -4.453 1.00 0.00 H new ATOM 0 HA LEU A 104 3.710 -9.792 -5.151 1.00 0.00 H new ATOM 0 HB2 LEU A 104 3.339 -10.202 -7.576 1.00 0.00 H new ATOM 0 HB3 LEU A 104 4.825 -10.909 -6.975 1.00 0.00 H new ATOM 0 HG LEU A 104 2.382 -12.640 -7.066 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.840 -13.218 -9.414 1.00 0.00 H new ATOM 0 HD12 LEU A 104 2.349 -11.516 -9.236 1.00 0.00 H new ATOM 0 HD13 LEU A 104 4.062 -11.926 -9.489 1.00 0.00 H new ATOM 0 HD21 LEU A 104 4.064 -14.359 -7.601 1.00 0.00 H new ATOM 0 HD22 LEU A 104 5.332 -13.111 -7.606 1.00 0.00 H new ATOM 0 HD23 LEU A 104 4.464 -13.491 -6.100 1.00 0.00 H new ATOM 1720 N GLY A 105 1.271 -9.396 -5.240 1.00 0.00 N ATOM 1721 CA GLY A 105 -0.162 -9.171 -5.177 1.00 0.00 C ATOM 1722 C GLY A 105 -0.530 -7.714 -5.374 1.00 0.00 C ATOM 1723 O GLY A 105 0.344 -6.862 -5.528 1.00 0.00 O ATOM 0 H GLY A 105 1.842 -8.561 -5.109 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -0.655 -9.773 -5.940 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -0.538 -9.510 -4.212 1.00 0.00 H new ATOM 1727 N LEU A 106 -1.828 -7.429 -5.369 1.00 0.00 N ATOM 1728 CA LEU A 106 -2.311 -6.065 -5.548 1.00 0.00 C ATOM 1729 C LEU A 106 -3.525 -5.796 -4.665 1.00 0.00 C ATOM 1730 O LEU A 106 -4.100 -6.718 -4.086 1.00 0.00 O ATOM 1731 CB LEU A 106 -2.668 -5.817 -7.016 1.00 0.00 C ATOM 1732 CG LEU A 106 -1.472 -5.667 -7.957 1.00 0.00 C ATOM 1733 CD1 LEU A 106 -1.084 -7.015 -8.545 1.00 0.00 C ATOM 1734 CD2 LEU A 106 -1.785 -4.671 -9.063 1.00 0.00 C ATOM 0 H LEU A 106 -2.564 -8.124 -5.243 1.00 0.00 H new ATOM 0 HA LEU A 106 -1.513 -5.383 -5.254 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -3.286 -6.643 -7.368 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -3.276 -4.914 -7.079 1.00 0.00 H new ATOM 0 HG LEU A 106 -0.627 -5.287 -7.382 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -0.231 -6.889 -9.212 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -0.817 -7.700 -7.740 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -1.925 -7.424 -9.105 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -0.923 -4.577 -9.723 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -2.644 -5.021 -9.636 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -2.013 -3.700 -8.624 1.00 0.00 H new ATOM 1746 N GLY A 107 -3.908 -4.527 -4.564 1.00 0.00 N ATOM 1747 CA GLY A 107 -5.051 -4.160 -3.749 1.00 0.00 C ATOM 1748 C GLY A 107 -5.201 -2.659 -3.601 1.00 0.00 C ATOM 1749 O GLY A 107 -4.479 -1.891 -4.239 1.00 0.00 O ATOM 0 H GLY A 107 -3.447 -3.747 -5.032 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -5.957 -4.570 -4.194 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -4.949 -4.611 -2.762 1.00 0.00 H new ATOM 1753 N PHE A 108 -6.139 -2.239 -2.760 1.00 0.00 N ATOM 1754 CA PHE A 108 -6.382 -0.819 -2.532 1.00 0.00 C ATOM 1755 C PHE A 108 -6.415 -0.507 -1.039 1.00 0.00 C ATOM 1756 O PHE A 108 -7.001 -1.250 -0.252 1.00 0.00 O ATOM 1757 CB PHE A 108 -7.700 -0.394 -3.182 1.00 0.00 C ATOM 1758 CG PHE A 108 -7.869 -0.904 -4.585 1.00 0.00 C ATOM 1759 CD1 PHE A 108 -8.200 -2.229 -4.819 1.00 0.00 C ATOM 1760 CD2 PHE A 108 -7.696 -0.058 -5.669 1.00 0.00 C ATOM 1761 CE1 PHE A 108 -8.356 -2.701 -6.108 1.00 0.00 C ATOM 1762 CE2 PHE A 108 -7.851 -0.525 -6.961 1.00 0.00 C ATOM 1763 CZ PHE A 108 -8.182 -1.849 -7.180 1.00 0.00 C ATOM 0 H PHE A 108 -6.744 -2.862 -2.224 1.00 0.00 H new ATOM 0 HA PHE A 108 -5.564 -0.259 -2.985 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -8.529 -0.752 -2.572 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -7.757 0.694 -3.190 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -8.338 -2.900 -3.984 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -7.437 0.977 -5.503 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -8.614 -3.736 -6.277 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -7.714 0.144 -7.798 1.00 0.00 H new ATOM 0 HZ PHE A 108 -8.304 -2.216 -8.188 1.00 0.00 H new ATOM 1773 N THR A 109 -5.782 0.598 -0.657 1.00 0.00 N ATOM 1774 CA THR A 109 -5.739 1.009 0.742 1.00 0.00 C ATOM 1775 C THR A 109 -6.534 2.292 0.957 1.00 0.00 C ATOM 1776 O THR A 109 -6.357 3.273 0.235 1.00 0.00 O ATOM 1777 CB THR A 109 -4.291 1.212 1.191 1.00 0.00 C ATOM 1778 OG1 THR A 109 -3.528 0.039 0.969 1.00 0.00 O ATOM 1779 CG2 THR A 109 -4.163 1.573 2.655 1.00 0.00 C ATOM 0 H THR A 109 -5.292 1.224 -1.296 1.00 0.00 H new ATOM 0 HA THR A 109 -6.191 0.218 1.341 1.00 0.00 H new ATOM 0 HB THR A 109 -3.918 2.045 0.595 1.00 0.00 H new ATOM 0 HG1 THR A 109 -4.130 -0.723 0.837 1.00 0.00 H new ATOM 0 HG21 THR A 109 -3.111 1.703 2.907 1.00 0.00 H new ATOM 0 HG22 THR A 109 -4.700 2.502 2.849 1.00 0.00 H new ATOM 0 HG23 THR A 109 -4.587 0.775 3.265 1.00 0.00 H new ATOM 1787 N ALA A 110 -7.413 2.278 1.955 1.00 0.00 N ATOM 1788 CA ALA A 110 -8.235 3.441 2.265 1.00 0.00 C ATOM 1789 C ALA A 110 -7.871 4.022 3.627 1.00 0.00 C ATOM 1790 O ALA A 110 -8.075 3.384 4.660 1.00 0.00 O ATOM 1791 CB ALA A 110 -9.710 3.069 2.223 1.00 0.00 C ATOM 0 H ALA A 110 -7.573 1.474 2.562 1.00 0.00 H new ATOM 0 HA ALA A 110 -8.043 4.205 1.511 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -10.313 3.946 2.456 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -9.966 2.707 1.227 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -9.909 2.287 2.955 1.00 0.00 H new ATOM 1797 N GLY A 111 -7.332 5.237 3.621 1.00 0.00 N ATOM 1798 CA GLY A 111 -6.948 5.883 4.862 1.00 0.00 C ATOM 1799 C GLY A 111 -7.912 6.981 5.268 1.00 0.00 C ATOM 1800 O GLY A 111 -8.444 7.695 4.417 1.00 0.00 O ATOM 0 H GLY A 111 -7.155 5.785 2.779 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -6.897 5.137 5.655 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -5.948 6.303 4.755 1.00 0.00 H new ATOM 1804 N VAL A 112 -8.136 7.117 6.570 1.00 0.00 N ATOM 1805 CA VAL A 112 -9.042 8.137 7.088 1.00 0.00 C ATOM 1806 C VAL A 112 -8.296 9.148 7.950 1.00 0.00 C ATOM 1807 O VAL A 112 -7.578 8.778 8.879 1.00 0.00 O ATOM 1808 CB VAL A 112 -10.177 7.510 7.920 1.00 0.00 C ATOM 1809 CG1 VAL A 112 -11.219 8.558 8.277 1.00 0.00 C ATOM 1810 CG2 VAL A 112 -10.812 6.349 7.169 1.00 0.00 C ATOM 0 H VAL A 112 -7.703 6.534 7.287 1.00 0.00 H new ATOM 0 HA VAL A 112 -9.472 8.646 6.225 1.00 0.00 H new ATOM 0 HB VAL A 112 -9.752 7.123 8.847 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -12.013 8.097 8.865 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -10.752 9.352 8.859 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -11.641 8.978 7.364 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -11.611 5.919 7.772 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -11.223 6.707 6.225 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -10.058 5.588 6.971 1.00 0.00 H new ATOM 1820 N THR A 113 -8.469 10.428 7.634 1.00 0.00 N ATOM 1821 CA THR A 113 -7.811 11.494 8.381 1.00 0.00 C ATOM 1822 C THR A 113 -8.794 12.187 9.320 1.00 0.00 C ATOM 1823 O THR A 113 -9.737 12.841 8.875 1.00 0.00 O ATOM 1824 CB THR A 113 -7.199 12.515 7.421 1.00 0.00 C ATOM 1825 OG1 THR A 113 -6.445 11.866 6.413 1.00 0.00 O ATOM 1826 CG2 THR A 113 -6.288 13.510 8.106 1.00 0.00 C ATOM 0 H THR A 113 -9.058 10.752 6.867 1.00 0.00 H new ATOM 0 HA THR A 113 -7.017 11.048 8.980 1.00 0.00 H new ATOM 0 HB THR A 113 -8.045 13.055 6.996 1.00 0.00 H new ATOM 0 HG1 THR A 113 -6.063 12.536 5.808 1.00 0.00 H new ATOM 0 HG21 THR A 113 -5.888 14.205 7.368 1.00 0.00 H new ATOM 0 HG22 THR A 113 -6.852 14.063 8.857 1.00 0.00 H new ATOM 0 HG23 THR A 113 -5.467 12.980 8.588 1.00 0.00 H new ATOM 1834 N ALA A 114 -8.566 12.039 10.621 1.00 0.00 N ATOM 1835 CA ALA A 114 -9.432 12.650 11.623 1.00 0.00 C ATOM 1836 C ALA A 114 -8.619 13.443 12.641 1.00 0.00 C ATOM 1837 O ALA A 114 -7.732 12.901 13.298 1.00 0.00 O ATOM 1838 CB ALA A 114 -10.262 11.585 12.323 1.00 0.00 C ATOM 0 H ALA A 114 -7.789 11.502 11.006 1.00 0.00 H new ATOM 0 HA ALA A 114 -10.103 13.342 11.114 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -10.904 12.055 13.068 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -10.878 11.064 11.590 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -9.600 10.871 12.813 1.00 0.00 H new ATOM 1844 N ARG A 115 -8.932 14.729 12.767 1.00 0.00 N ATOM 1845 CA ARG A 115 -8.232 15.596 13.707 1.00 0.00 C ATOM 1846 C ARG A 115 -8.582 15.230 15.146 1.00 0.00 C ATOM 1847 O ARG A 115 -9.672 14.727 15.420 1.00 0.00 O ATOM 1848 CB ARG A 115 -8.580 17.061 13.440 1.00 0.00 C ATOM 1849 CG ARG A 115 -7.715 17.707 12.370 1.00 0.00 C ATOM 1850 CD ARG A 115 -8.502 18.720 11.554 1.00 0.00 C ATOM 1851 NE ARG A 115 -8.079 18.743 10.155 1.00 0.00 N ATOM 1852 CZ ARG A 115 -8.261 17.732 9.309 1.00 0.00 C ATOM 1853 NH1 ARG A 115 -8.857 16.616 9.715 1.00 0.00 N ATOM 1854 NH2 ARG A 115 -7.847 17.835 8.054 1.00 0.00 N ATOM 0 H ARG A 115 -9.665 15.193 12.230 1.00 0.00 H new ATOM 0 HA ARG A 115 -7.160 15.455 13.565 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -9.626 17.128 13.140 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -8.478 17.625 14.367 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -6.862 18.199 12.838 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -7.316 16.937 11.709 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -9.564 18.482 11.608 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -8.375 19.712 11.988 1.00 0.00 H new ATOM 0 HE ARG A 115 -7.617 19.583 9.807 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -9.178 16.531 10.680 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -8.994 15.844 9.062 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -7.389 18.689 7.737 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -7.987 17.060 7.406 1.00 0.00 H new ATOM 1868 N ASP A 116 -7.653 15.487 16.060 1.00 0.00 N ATOM 1869 CA ASP A 116 -7.866 15.183 17.471 1.00 0.00 C ATOM 1870 C ASP A 116 -8.272 16.434 18.244 1.00 0.00 C ATOM 1871 O ASP A 116 -9.013 16.356 19.224 1.00 0.00 O ATOM 1872 CB ASP A 116 -6.599 14.582 18.081 1.00 0.00 C ATOM 1873 CG ASP A 116 -6.463 13.101 17.788 1.00 0.00 C ATOM 1874 OD1 ASP A 116 -6.587 12.715 16.607 1.00 0.00 O ATOM 1875 OD2 ASP A 116 -6.232 12.327 18.741 1.00 0.00 O ATOM 0 H ASP A 116 -6.746 15.904 15.850 1.00 0.00 H new ATOM 0 HA ASP A 116 -8.676 14.457 17.541 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -5.727 15.108 17.692 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -6.610 14.737 19.160 1.00 0.00 H new ATOM 1881 N ASN A 117 -7.783 17.585 17.797 1.00 0.00 N ATOM 1882 CA ASN A 117 -8.095 18.852 18.450 1.00 0.00 C ATOM 1883 C ASN A 117 -9.019 19.700 17.580 1.00 0.00 C ATOM 1884 O ASN A 117 -8.892 20.924 17.532 1.00 0.00 O ATOM 1885 CB ASN A 117 -6.807 19.622 18.754 1.00 0.00 C ATOM 1886 CG ASN A 117 -6.711 20.035 20.210 1.00 0.00 C ATOM 1887 OD1 ASN A 117 -6.296 19.251 21.064 1.00 0.00 O ATOM 1888 ND2 ASN A 117 -7.095 21.273 20.501 1.00 0.00 N ATOM 0 H ASN A 117 -7.170 17.668 16.986 1.00 0.00 H new ATOM 0 HA ASN A 117 -8.609 18.635 19.386 1.00 0.00 H new ATOM 0 HB2 ASN A 117 -5.947 19.003 18.497 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -6.760 20.510 18.123 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -7.052 21.607 21.464 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -7.432 21.889 19.762 1.00 0.00 H new ATOM 1895 N TRP A 118 -9.948 19.043 16.893 1.00 0.00 N ATOM 1896 CA TRP A 118 -10.891 19.740 16.026 1.00 0.00 C ATOM 1897 C TRP A 118 -12.204 18.971 15.917 1.00 0.00 C ATOM 1898 O TRP A 118 -12.379 17.928 16.547 1.00 0.00 O ATOM 1899 CB TRP A 118 -10.285 19.941 14.636 1.00 0.00 C ATOM 1900 CG TRP A 118 -9.160 20.930 14.618 1.00 0.00 C ATOM 1901 CD1 TRP A 118 -7.847 20.672 14.346 1.00 0.00 C ATOM 1902 CD2 TRP A 118 -9.246 22.333 14.886 1.00 0.00 C ATOM 1903 NE1 TRP A 118 -7.112 21.830 14.428 1.00 0.00 N ATOM 1904 CE2 TRP A 118 -7.949 22.864 14.757 1.00 0.00 C ATOM 1905 CE3 TRP A 118 -10.296 23.194 15.220 1.00 0.00 C ATOM 1906 CZ2 TRP A 118 -7.674 24.215 14.952 1.00 0.00 C ATOM 1907 CZ3 TRP A 118 -10.022 24.535 15.413 1.00 0.00 C ATOM 1908 CH2 TRP A 118 -8.721 25.034 15.278 1.00 0.00 C ATOM 0 H TRP A 118 -10.068 18.030 16.920 1.00 0.00 H new ATOM 0 HA TRP A 118 -11.100 20.714 16.468 1.00 0.00 H new ATOM 0 HB2 TRP A 118 -9.923 18.983 14.263 1.00 0.00 H new ATOM 0 HB3 TRP A 118 -11.065 20.276 13.952 1.00 0.00 H new ATOM 0 HD1 TRP A 118 -7.445 19.700 14.102 1.00 0.00 H new ATOM 0 HE1 TRP A 118 -6.107 21.907 14.270 1.00 0.00 H new ATOM 0 HE3 TRP A 118 -11.303 22.818 15.325 1.00 0.00 H new ATOM 0 HZ2 TRP A 118 -6.671 24.602 14.850 1.00 0.00 H new ATOM 0 HZ3 TRP A 118 -10.825 25.209 15.672 1.00 0.00 H new ATOM 0 HH2 TRP A 118 -8.540 26.087 15.434 1.00 0.00 H new ATOM 1919 N ASN A 119 -13.125 19.495 15.114 1.00 0.00 N ATOM 1920 CA ASN A 119 -14.426 18.861 14.923 1.00 0.00 C ATOM 1921 C ASN A 119 -14.620 18.449 13.464 1.00 0.00 C ATOM 1922 O ASN A 119 -13.656 18.356 12.704 1.00 0.00 O ATOM 1923 CB ASN A 119 -15.545 19.811 15.357 1.00 0.00 C ATOM 1924 CG ASN A 119 -15.260 20.470 16.692 1.00 0.00 C ATOM 1925 OD1 ASN A 119 -14.960 21.662 16.759 1.00 0.00 O ATOM 1926 ND2 ASN A 119 -15.353 19.694 17.766 1.00 0.00 N ATOM 0 H ASN A 119 -12.995 20.357 14.585 1.00 0.00 H new ATOM 0 HA ASN A 119 -14.464 17.963 15.540 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -15.680 20.580 14.597 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -16.482 19.258 15.421 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -15.173 20.081 18.692 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -15.605 18.711 17.665 1.00 0.00 H new ATOM 1933 N TYR A 120 -15.871 18.201 13.080 1.00 0.00 N ATOM 1934 CA TYR A 120 -16.193 17.797 11.713 1.00 0.00 C ATOM 1935 C TYR A 120 -15.717 16.375 11.438 1.00 0.00 C ATOM 1936 O TYR A 120 -14.818 15.869 12.108 1.00 0.00 O ATOM 1937 CB TYR A 120 -15.565 18.762 10.703 1.00 0.00 C ATOM 1938 CG TYR A 120 -15.776 20.220 11.046 1.00 0.00 C ATOM 1939 CD1 TYR A 120 -16.960 20.867 10.715 1.00 0.00 C ATOM 1940 CD2 TYR A 120 -14.790 20.950 11.698 1.00 0.00 C ATOM 1941 CE1 TYR A 120 -17.157 22.199 11.025 1.00 0.00 C ATOM 1942 CE2 TYR A 120 -14.979 22.282 12.013 1.00 0.00 C ATOM 1943 CZ TYR A 120 -16.163 22.901 11.674 1.00 0.00 C ATOM 1944 OH TYR A 120 -16.355 24.228 11.985 1.00 0.00 O ATOM 0 H TYR A 120 -16.679 18.273 13.698 1.00 0.00 H new ATOM 0 HA TYR A 120 -17.277 17.827 11.603 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -14.495 18.563 10.640 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -15.984 18.565 9.716 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -17.740 20.319 10.207 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -13.860 20.468 11.963 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -18.083 22.687 10.761 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -14.203 22.835 12.522 1.00 0.00 H new ATOM 0 HH TYR A 120 -15.560 24.575 12.441 1.00 0.00 H new ATOM 1954 N ILE A 121 -16.331 15.734 10.448 1.00 0.00 N ATOM 1955 CA ILE A 121 -15.974 14.368 10.082 1.00 0.00 C ATOM 1956 C ILE A 121 -14.615 14.322 9.387 1.00 0.00 C ATOM 1957 O ILE A 121 -14.190 15.297 8.771 1.00 0.00 O ATOM 1958 CB ILE A 121 -17.032 13.740 9.156 1.00 0.00 C ATOM 1959 CG1 ILE A 121 -17.190 14.574 7.883 1.00 0.00 C ATOM 1960 CG2 ILE A 121 -18.363 13.613 9.883 1.00 0.00 C ATOM 1961 CD1 ILE A 121 -16.427 14.020 6.700 1.00 0.00 C ATOM 0 H ILE A 121 -17.079 16.139 9.885 1.00 0.00 H new ATOM 0 HA ILE A 121 -15.926 13.795 11.008 1.00 0.00 H new ATOM 0 HB ILE A 121 -16.698 12.742 8.872 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -18.248 14.635 7.627 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -16.851 15.591 8.080 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -19.101 13.168 9.216 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -18.239 12.980 10.761 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -18.704 14.601 10.193 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -16.585 14.661 5.833 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -15.364 13.985 6.937 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -16.782 13.014 6.477 1.00 0.00 H new ATOM 1973 N PRO A 122 -13.913 13.178 9.479 1.00 0.00 N ATOM 1974 CA PRO A 122 -12.597 13.007 8.855 1.00 0.00 C ATOM 1975 C PRO A 122 -12.665 13.064 7.334 1.00 0.00 C ATOM 1976 O PRO A 122 -13.716 13.349 6.759 1.00 0.00 O ATOM 1977 CB PRO A 122 -12.154 11.615 9.318 1.00 0.00 C ATOM 1978 CG PRO A 122 -13.416 10.908 9.673 1.00 0.00 C ATOM 1979 CD PRO A 122 -14.348 11.965 10.195 1.00 0.00 C ATOM 0 HA PRO A 122 -11.909 13.802 9.140 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -11.615 11.089 8.529 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -11.483 11.679 10.174 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -13.841 10.408 8.803 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -13.235 10.141 10.426 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -15.390 11.724 9.983 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -14.261 12.081 11.275 1.00 0.00 H new ATOM 1987 N LEU A 123 -11.538 12.790 6.686 1.00 0.00 N ATOM 1988 CA LEU A 123 -11.467 12.809 5.231 1.00 0.00 C ATOM 1989 C LEU A 123 -10.871 11.507 4.696 1.00 0.00 C ATOM 1990 O LEU A 123 -9.652 11.336 4.684 1.00 0.00 O ATOM 1991 CB LEU A 123 -10.629 13.999 4.756 1.00 0.00 C ATOM 1992 CG LEU A 123 -10.702 14.284 3.255 1.00 0.00 C ATOM 1993 CD1 LEU A 123 -10.615 15.780 2.991 1.00 0.00 C ATOM 1994 CD2 LEU A 123 -9.593 13.547 2.519 1.00 0.00 C ATOM 0 H LEU A 123 -10.660 12.552 7.147 1.00 0.00 H new ATOM 0 HA LEU A 123 -12.481 12.909 4.845 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -10.952 14.889 5.296 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -9.588 13.822 5.027 1.00 0.00 H new ATOM 0 HG LEU A 123 -11.661 13.925 2.882 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -10.669 15.964 1.918 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -11.443 16.286 3.488 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -9.671 16.163 3.378 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -9.660 13.761 1.452 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -8.625 13.877 2.895 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -9.699 12.474 2.681 1.00 0.00 H new ATOM 2006 N PRO A 124 -11.725 10.570 4.245 1.00 0.00 N ATOM 2007 CA PRO A 124 -11.268 9.283 3.709 1.00 0.00 C ATOM 2008 C PRO A 124 -10.581 9.433 2.355 1.00 0.00 C ATOM 2009 O PRO A 124 -10.854 10.376 1.612 1.00 0.00 O ATOM 2010 CB PRO A 124 -12.561 8.479 3.566 1.00 0.00 C ATOM 2011 CG PRO A 124 -13.628 9.504 3.401 1.00 0.00 C ATOM 2012 CD PRO A 124 -13.195 10.688 4.221 1.00 0.00 C ATOM 0 HA PRO A 124 -10.527 8.811 4.354 1.00 0.00 H new ATOM 0 HB2 PRO A 124 -12.518 7.810 2.706 1.00 0.00 H new ATOM 0 HB3 PRO A 124 -12.740 7.859 4.444 1.00 0.00 H new ATOM 0 HG2 PRO A 124 -13.747 9.778 2.353 1.00 0.00 H new ATOM 0 HG3 PRO A 124 -14.591 9.124 3.743 1.00 0.00 H new ATOM 0 HD2 PRO A 124 -13.515 11.627 3.770 1.00 0.00 H new ATOM 0 HD3 PRO A 124 -13.617 10.657 5.226 1.00 0.00 H new ATOM 2020 N VAL A 125 -9.688 8.501 2.043 1.00 0.00 N ATOM 2021 CA VAL A 125 -8.963 8.533 0.778 1.00 0.00 C ATOM 2022 C VAL A 125 -8.520 7.135 0.361 1.00 0.00 C ATOM 2023 O VAL A 125 -7.919 6.403 1.146 1.00 0.00 O ATOM 2024 CB VAL A 125 -7.724 9.445 0.865 1.00 0.00 C ATOM 2025 CG1 VAL A 125 -8.139 10.908 0.901 1.00 0.00 C ATOM 2026 CG2 VAL A 125 -6.884 9.092 2.083 1.00 0.00 C ATOM 0 H VAL A 125 -9.449 7.715 2.647 1.00 0.00 H new ATOM 0 HA VAL A 125 -9.649 8.932 0.031 1.00 0.00 H new ATOM 0 HB VAL A 125 -7.116 9.285 -0.025 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -7.251 11.537 0.962 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -8.694 11.151 -0.005 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -8.770 11.086 1.772 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -6.014 9.747 2.127 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -7.481 9.220 2.986 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -6.555 8.055 2.010 1.00 0.00 H new ATOM 2036 N LEU A 126 -8.822 6.772 -0.882 1.00 0.00 N ATOM 2037 CA LEU A 126 -8.454 5.462 -1.406 1.00 0.00 C ATOM 2038 C LEU A 126 -7.406 5.593 -2.506 1.00 0.00 C ATOM 2039 O LEU A 126 -7.570 6.371 -3.445 1.00 0.00 O ATOM 2040 CB LEU A 126 -9.691 4.741 -1.947 1.00 0.00 C ATOM 2041 CG LEU A 126 -10.740 4.377 -0.895 1.00 0.00 C ATOM 2042 CD1 LEU A 126 -11.724 5.521 -0.705 1.00 0.00 C ATOM 2043 CD2 LEU A 126 -11.470 3.103 -1.292 1.00 0.00 C ATOM 0 H LEU A 126 -9.320 7.367 -1.544 1.00 0.00 H new ATOM 0 HA LEU A 126 -8.029 4.877 -0.591 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -10.160 5.372 -2.702 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -9.370 3.828 -2.449 1.00 0.00 H new ATOM 0 HG LEU A 126 -10.232 4.201 0.053 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -12.463 5.244 0.047 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -11.188 6.411 -0.376 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -12.227 5.729 -1.649 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -12.213 2.858 -0.533 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -11.966 3.252 -2.251 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -10.755 2.285 -1.377 1.00 0.00 H new ATOM 2055 N LEU A 127 -6.326 4.829 -2.381 1.00 0.00 N ATOM 2056 CA LEU A 127 -5.249 4.860 -3.364 1.00 0.00 C ATOM 2057 C LEU A 127 -4.745 3.449 -3.667 1.00 0.00 C ATOM 2058 O LEU A 127 -4.363 2.714 -2.757 1.00 0.00 O ATOM 2059 CB LEU A 127 -4.095 5.727 -2.856 1.00 0.00 C ATOM 2060 CG LEU A 127 -4.216 7.219 -3.171 1.00 0.00 C ATOM 2061 CD1 LEU A 127 -3.594 8.052 -2.062 1.00 0.00 C ATOM 2062 CD2 LEU A 127 -3.563 7.534 -4.508 1.00 0.00 C ATOM 0 H LEU A 127 -6.173 4.181 -1.609 1.00 0.00 H new ATOM 0 HA LEU A 127 -5.643 5.291 -4.285 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -4.018 5.605 -1.776 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -3.165 5.355 -3.286 1.00 0.00 H new ATOM 0 HG LEU A 127 -5.274 7.473 -3.236 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -3.690 9.110 -2.304 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -4.106 7.847 -1.122 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -2.539 7.797 -1.963 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -3.658 8.600 -4.717 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -2.508 7.264 -4.470 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -4.055 6.964 -5.296 1.00 0.00 H new ATOM 2074 N PRO A 128 -4.735 3.046 -4.953 1.00 0.00 N ATOM 2075 CA PRO A 128 -4.272 1.713 -5.356 1.00 0.00 C ATOM 2076 C PRO A 128 -2.813 1.473 -4.983 1.00 0.00 C ATOM 2077 O PRO A 128 -2.027 2.415 -4.870 1.00 0.00 O ATOM 2078 CB PRO A 128 -4.437 1.712 -6.881 1.00 0.00 C ATOM 2079 CG PRO A 128 -5.401 2.811 -7.170 1.00 0.00 C ATOM 2080 CD PRO A 128 -5.173 3.847 -6.109 1.00 0.00 C ATOM 0 HA PRO A 128 -4.833 0.924 -4.856 1.00 0.00 H new ATOM 0 HB2 PRO A 128 -3.483 1.883 -7.380 1.00 0.00 H new ATOM 0 HB3 PRO A 128 -4.815 0.753 -7.236 1.00 0.00 H new ATOM 0 HG2 PRO A 128 -5.234 3.226 -8.164 1.00 0.00 H new ATOM 0 HG3 PRO A 128 -6.428 2.446 -7.146 1.00 0.00 H new ATOM 0 HD2 PRO A 128 -4.416 4.571 -6.408 1.00 0.00 H new ATOM 0 HD3 PRO A 128 -6.082 4.408 -5.890 1.00 0.00 H new ATOM 2088 N LEU A 129 -2.456 0.208 -4.794 1.00 0.00 N ATOM 2089 CA LEU A 129 -1.091 -0.157 -4.434 1.00 0.00 C ATOM 2090 C LEU A 129 -0.856 -1.651 -4.632 1.00 0.00 C ATOM 2091 O LEU A 129 -1.802 -2.437 -4.682 1.00 0.00 O ATOM 2092 CB LEU A 129 -0.805 0.228 -2.981 1.00 0.00 C ATOM 2093 CG LEU A 129 -1.676 -0.479 -1.941 1.00 0.00 C ATOM 2094 CD1 LEU A 129 -0.917 -0.645 -0.633 1.00 0.00 C ATOM 2095 CD2 LEU A 129 -2.968 0.291 -1.717 1.00 0.00 C ATOM 0 H LEU A 129 -3.094 -0.583 -4.884 1.00 0.00 H new ATOM 0 HA LEU A 129 -0.411 0.389 -5.088 1.00 0.00 H new ATOM 0 HB2 LEU A 129 0.241 0.013 -2.763 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -0.938 1.304 -2.873 1.00 0.00 H new ATOM 0 HG LEU A 129 -1.928 -1.470 -2.318 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -1.552 -1.150 0.095 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -0.020 -1.240 -0.806 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -0.634 0.335 -0.250 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -3.576 -0.226 -0.974 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -2.736 1.295 -1.361 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -3.520 0.357 -2.655 1.00 0.00 H new ATOM 2107 N ALA A 130 0.411 -2.035 -4.745 1.00 0.00 N ATOM 2108 CA ALA A 130 0.770 -3.436 -4.937 1.00 0.00 C ATOM 2109 C ALA A 130 1.826 -3.876 -3.929 1.00 0.00 C ATOM 2110 O ALA A 130 2.490 -3.045 -3.309 1.00 0.00 O ATOM 2111 CB ALA A 130 1.267 -3.661 -6.358 1.00 0.00 C ATOM 0 H ALA A 130 1.206 -1.397 -4.707 1.00 0.00 H new ATOM 0 HA ALA A 130 -0.122 -4.041 -4.774 1.00 0.00 H new ATOM 0 HB1 ALA A 130 1.532 -4.710 -6.489 1.00 0.00 H new ATOM 0 HB2 ALA A 130 0.481 -3.394 -7.065 1.00 0.00 H new ATOM 0 HB3 ALA A 130 2.144 -3.040 -6.539 1.00 0.00 H new ATOM 2117 N SER A 131 1.975 -5.186 -3.770 1.00 0.00 N ATOM 2118 CA SER A 131 2.950 -5.738 -2.836 1.00 0.00 C ATOM 2119 C SER A 131 3.841 -6.766 -3.525 1.00 0.00 C ATOM 2120 O SER A 131 3.364 -7.794 -4.005 1.00 0.00 O ATOM 2121 CB SER A 131 2.239 -6.378 -1.643 1.00 0.00 C ATOM 2122 OG SER A 131 0.950 -6.842 -2.005 1.00 0.00 O ATOM 0 H SER A 131 1.433 -5.886 -4.276 1.00 0.00 H new ATOM 0 HA SER A 131 3.578 -4.921 -2.479 1.00 0.00 H new ATOM 0 HB2 SER A 131 2.834 -7.209 -1.264 1.00 0.00 H new ATOM 0 HB3 SER A 131 2.154 -5.652 -0.835 1.00 0.00 H new ATOM 0 HG SER A 131 0.518 -7.248 -1.225 1.00 0.00 H new ATOM 2128 N VAL A 132 5.139 -6.483 -3.568 1.00 0.00 N ATOM 2129 CA VAL A 132 6.097 -7.384 -4.197 1.00 0.00 C ATOM 2130 C VAL A 132 7.406 -7.429 -3.415 1.00 0.00 C ATOM 2131 O VAL A 132 8.035 -6.398 -3.180 1.00 0.00 O ATOM 2132 CB VAL A 132 6.395 -6.962 -5.648 1.00 0.00 C ATOM 2133 CG1 VAL A 132 5.188 -7.219 -6.537 1.00 0.00 C ATOM 2134 CG2 VAL A 132 6.808 -5.500 -5.706 1.00 0.00 C ATOM 0 H VAL A 132 5.551 -5.637 -3.175 1.00 0.00 H new ATOM 0 HA VAL A 132 5.644 -8.375 -4.199 1.00 0.00 H new ATOM 0 HB VAL A 132 7.225 -7.564 -6.019 1.00 0.00 H new ATOM 0 HG11 VAL A 132 5.417 -6.915 -7.558 1.00 0.00 H new ATOM 0 HG12 VAL A 132 4.944 -8.281 -6.521 1.00 0.00 H new ATOM 0 HG13 VAL A 132 4.337 -6.645 -6.170 1.00 0.00 H new ATOM 0 HG21 VAL A 132 7.014 -5.221 -6.739 1.00 0.00 H new ATOM 0 HG22 VAL A 132 6.002 -4.878 -5.316 1.00 0.00 H new ATOM 0 HG23 VAL A 132 7.704 -5.351 -5.104 1.00 0.00 H new ATOM 2144 N GLY A 133 7.808 -8.630 -3.014 1.00 0.00 N ATOM 2145 CA GLY A 133 9.039 -8.788 -2.263 1.00 0.00 C ATOM 2146 C GLY A 133 9.214 -10.194 -1.723 1.00 0.00 C ATOM 2147 O GLY A 133 8.491 -11.110 -2.114 1.00 0.00 O ATOM 0 H GLY A 133 7.303 -9.497 -3.196 1.00 0.00 H new ATOM 0 HA2 GLY A 133 9.886 -8.540 -2.903 1.00 0.00 H new ATOM 0 HA3 GLY A 133 9.048 -8.080 -1.434 1.00 0.00 H new ATOM 2151 N TYR A 134 10.178 -10.366 -0.824 1.00 0.00 N ATOM 2152 CA TYR A 134 10.445 -11.670 -0.231 1.00 0.00 C ATOM 2153 C TYR A 134 10.899 -11.526 1.219 1.00 0.00 C ATOM 2154 O TYR A 134 11.561 -10.554 1.579 1.00 0.00 O ATOM 2155 CB TYR A 134 11.513 -12.412 -1.040 1.00 0.00 C ATOM 2156 CG TYR A 134 12.852 -11.712 -1.063 1.00 0.00 C ATOM 2157 CD1 TYR A 134 13.089 -10.655 -1.934 1.00 0.00 C ATOM 2158 CD2 TYR A 134 13.879 -12.106 -0.215 1.00 0.00 C ATOM 2159 CE1 TYR A 134 14.313 -10.013 -1.958 1.00 0.00 C ATOM 2160 CE2 TYR A 134 15.105 -11.469 -0.234 1.00 0.00 C ATOM 2161 CZ TYR A 134 15.317 -10.423 -1.107 1.00 0.00 C ATOM 2162 OH TYR A 134 16.535 -9.785 -1.127 1.00 0.00 O ATOM 0 H TYR A 134 10.787 -9.618 -0.491 1.00 0.00 H new ATOM 0 HA TYR A 134 9.520 -12.246 -0.248 1.00 0.00 H new ATOM 0 HB2 TYR A 134 11.642 -13.411 -0.624 1.00 0.00 H new ATOM 0 HB3 TYR A 134 11.160 -12.536 -2.064 1.00 0.00 H new ATOM 0 HD1 TYR A 134 12.305 -10.330 -2.602 1.00 0.00 H new ATOM 0 HD2 TYR A 134 13.717 -12.924 0.471 1.00 0.00 H new ATOM 0 HE1 TYR A 134 14.482 -9.193 -2.641 1.00 0.00 H new ATOM 0 HE2 TYR A 134 15.893 -11.789 0.432 1.00 0.00 H new ATOM 0 HH TYR A 134 17.130 -10.196 -0.466 1.00 0.00 H new ATOM 2172 N GLY A 135 10.537 -12.502 2.046 1.00 0.00 N ATOM 2173 CA GLY A 135 10.914 -12.464 3.447 1.00 0.00 C ATOM 2174 C GLY A 135 10.428 -11.207 4.145 1.00 0.00 C ATOM 2175 O GLY A 135 9.362 -10.688 3.819 1.00 0.00 O ATOM 0 H GLY A 135 9.990 -13.318 1.771 1.00 0.00 H new ATOM 0 HA2 GLY A 135 10.506 -13.338 3.954 1.00 0.00 H new ATOM 0 HA3 GLY A 135 11.999 -12.525 3.530 1.00 0.00 H new ATOM 2179 N PRO A 136 11.196 -10.689 5.119 1.00 0.00 N ATOM 2180 CA PRO A 136 10.822 -9.477 5.857 1.00 0.00 C ATOM 2181 C PRO A 136 10.867 -8.225 4.984 1.00 0.00 C ATOM 2182 O PRO A 136 10.293 -7.194 5.334 1.00 0.00 O ATOM 2183 CB PRO A 136 11.875 -9.393 6.965 1.00 0.00 C ATOM 2184 CG PRO A 136 13.049 -10.138 6.431 1.00 0.00 C ATOM 2185 CD PRO A 136 12.486 -11.238 5.576 1.00 0.00 C ATOM 0 HA PRO A 136 9.798 -9.528 6.227 1.00 0.00 H new ATOM 0 HB2 PRO A 136 12.132 -8.358 7.189 1.00 0.00 H new ATOM 0 HB3 PRO A 136 11.511 -9.839 7.891 1.00 0.00 H new ATOM 0 HG2 PRO A 136 13.695 -9.482 5.848 1.00 0.00 H new ATOM 0 HG3 PRO A 136 13.655 -10.544 7.241 1.00 0.00 H new ATOM 0 HD2 PRO A 136 13.143 -11.472 4.738 1.00 0.00 H new ATOM 0 HD3 PRO A 136 12.352 -12.159 6.143 1.00 0.00 H new ATOM 2193 N VAL A 137 11.552 -8.321 3.848 1.00 0.00 N ATOM 2194 CA VAL A 137 11.668 -7.194 2.931 1.00 0.00 C ATOM 2195 C VAL A 137 10.582 -7.240 1.861 1.00 0.00 C ATOM 2196 O VAL A 137 10.564 -8.138 1.020 1.00 0.00 O ATOM 2197 CB VAL A 137 13.047 -7.168 2.245 1.00 0.00 C ATOM 2198 CG1 VAL A 137 13.226 -5.881 1.453 1.00 0.00 C ATOM 2199 CG2 VAL A 137 14.157 -7.330 3.270 1.00 0.00 C ATOM 0 H VAL A 137 12.034 -9.166 3.542 1.00 0.00 H new ATOM 0 HA VAL A 137 11.549 -6.289 3.527 1.00 0.00 H new ATOM 0 HB VAL A 137 13.102 -8.006 1.550 1.00 0.00 H new ATOM 0 HG11 VAL A 137 14.206 -5.881 0.976 1.00 0.00 H new ATOM 0 HG12 VAL A 137 12.451 -5.812 0.690 1.00 0.00 H new ATOM 0 HG13 VAL A 137 13.150 -5.026 2.125 1.00 0.00 H new ATOM 0 HG21 VAL A 137 15.123 -7.309 2.766 1.00 0.00 H new ATOM 0 HG22 VAL A 137 14.107 -6.515 3.993 1.00 0.00 H new ATOM 0 HG23 VAL A 137 14.038 -8.282 3.788 1.00 0.00 H new ATOM 2209 N THR A 138 9.679 -6.266 1.899 1.00 0.00 N ATOM 2210 CA THR A 138 8.590 -6.196 0.931 1.00 0.00 C ATOM 2211 C THR A 138 8.447 -4.783 0.375 1.00 0.00 C ATOM 2212 O THR A 138 8.348 -3.815 1.129 1.00 0.00 O ATOM 2213 CB THR A 138 7.276 -6.638 1.577 1.00 0.00 C ATOM 2214 OG1 THR A 138 7.522 -7.458 2.706 1.00 0.00 O ATOM 2215 CG2 THR A 138 6.377 -7.411 0.636 1.00 0.00 C ATOM 0 H THR A 138 9.679 -5.515 2.589 1.00 0.00 H new ATOM 0 HA THR A 138 8.826 -6.869 0.107 1.00 0.00 H new ATOM 0 HB THR A 138 6.770 -5.715 1.862 1.00 0.00 H new ATOM 0 HG1 THR A 138 6.669 -7.729 3.106 1.00 0.00 H new ATOM 0 HG21 THR A 138 5.463 -7.694 1.157 1.00 0.00 H new ATOM 0 HG22 THR A 138 6.127 -6.788 -0.223 1.00 0.00 H new ATOM 0 HG23 THR A 138 6.893 -8.308 0.295 1.00 0.00 H new ATOM 2223 N PHE A 139 8.436 -4.673 -0.950 1.00 0.00 N ATOM 2224 CA PHE A 139 8.304 -3.379 -1.608 1.00 0.00 C ATOM 2225 C PHE A 139 6.841 -3.067 -1.908 1.00 0.00 C ATOM 2226 O PHE A 139 6.122 -3.896 -2.467 1.00 0.00 O ATOM 2227 CB PHE A 139 9.120 -3.356 -2.902 1.00 0.00 C ATOM 2228 CG PHE A 139 10.478 -2.733 -2.745 1.00 0.00 C ATOM 2229 CD1 PHE A 139 10.616 -1.357 -2.655 1.00 0.00 C ATOM 2230 CD2 PHE A 139 11.615 -3.522 -2.685 1.00 0.00 C ATOM 2231 CE1 PHE A 139 11.864 -0.780 -2.510 1.00 0.00 C ATOM 2232 CE2 PHE A 139 12.865 -2.952 -2.540 1.00 0.00 C ATOM 2233 CZ PHE A 139 12.989 -1.578 -2.453 1.00 0.00 C ATOM 0 H PHE A 139 8.517 -5.464 -1.588 1.00 0.00 H new ATOM 0 HA PHE A 139 8.687 -2.615 -0.932 1.00 0.00 H new ATOM 0 HB2 PHE A 139 9.238 -4.377 -3.266 1.00 0.00 H new ATOM 0 HB3 PHE A 139 8.564 -2.808 -3.663 1.00 0.00 H new ATOM 0 HD1 PHE A 139 9.739 -0.728 -2.699 1.00 0.00 H new ATOM 0 HD2 PHE A 139 11.523 -4.596 -2.752 1.00 0.00 H new ATOM 0 HE1 PHE A 139 11.959 0.294 -2.441 1.00 0.00 H new ATOM 0 HE2 PHE A 139 13.744 -3.579 -2.495 1.00 0.00 H new ATOM 0 HZ PHE A 139 13.965 -1.129 -2.341 1.00 0.00 H new ATOM 2243 N GLN A 140 6.408 -1.867 -1.535 1.00 0.00 N ATOM 2244 CA GLN A 140 5.031 -1.446 -1.765 1.00 0.00 C ATOM 2245 C GLN A 140 4.973 -0.300 -2.770 1.00 0.00 C ATOM 2246 O GLN A 140 5.485 0.790 -2.512 1.00 0.00 O ATOM 2247 CB GLN A 140 4.380 -1.019 -0.449 1.00 0.00 C ATOM 2248 CG GLN A 140 2.904 -1.371 -0.357 1.00 0.00 C ATOM 2249 CD GLN A 140 2.539 -2.020 0.965 1.00 0.00 C ATOM 2250 OE1 GLN A 140 2.470 -1.353 1.998 1.00 0.00 O ATOM 2251 NE2 GLN A 140 2.305 -3.326 0.939 1.00 0.00 N ATOM 0 H GLN A 140 6.991 -1.169 -1.072 1.00 0.00 H new ATOM 0 HA GLN A 140 4.482 -2.293 -2.176 1.00 0.00 H new ATOM 0 HB2 GLN A 140 4.910 -1.491 0.378 1.00 0.00 H new ATOM 0 HB3 GLN A 140 4.496 0.058 -0.329 1.00 0.00 H new ATOM 0 HG2 GLN A 140 2.310 -0.467 -0.490 1.00 0.00 H new ATOM 0 HG3 GLN A 140 2.644 -2.046 -1.173 1.00 0.00 H new ATOM 0 HE21 GLN A 140 2.374 -3.839 0.060 1.00 0.00 H new ATOM 0 HE22 GLN A 140 2.056 -3.817 1.798 1.00 0.00 H new ATOM 2260 N MET A 141 4.349 -0.553 -3.914 1.00 0.00 N ATOM 2261 CA MET A 141 4.225 0.457 -4.958 1.00 0.00 C ATOM 2262 C MET A 141 2.835 1.084 -4.947 1.00 0.00 C ATOM 2263 O MET A 141 1.825 0.381 -5.002 1.00 0.00 O ATOM 2264 CB MET A 141 4.509 -0.158 -6.330 1.00 0.00 C ATOM 2265 CG MET A 141 5.985 -0.185 -6.690 1.00 0.00 C ATOM 2266 SD MET A 141 6.439 -1.646 -7.645 1.00 0.00 S ATOM 2267 CE MET A 141 8.181 -1.338 -7.927 1.00 0.00 C ATOM 0 H MET A 141 3.920 -1.450 -4.143 1.00 0.00 H new ATOM 0 HA MET A 141 4.958 1.239 -4.760 1.00 0.00 H new ATOM 0 HB2 MET A 141 4.120 -1.176 -6.350 1.00 0.00 H new ATOM 0 HB3 MET A 141 3.968 0.405 -7.091 1.00 0.00 H new ATOM 0 HG2 MET A 141 6.232 0.710 -7.262 1.00 0.00 H new ATOM 0 HG3 MET A 141 6.579 -0.154 -5.776 1.00 0.00 H new ATOM 0 HE1 MET A 141 8.606 -2.157 -8.507 1.00 0.00 H new ATOM 0 HE2 MET A 141 8.301 -0.404 -8.476 1.00 0.00 H new ATOM 0 HE3 MET A 141 8.697 -1.265 -6.970 1.00 0.00 H new ATOM 2277 N THR A 142 2.790 2.410 -4.877 1.00 0.00 N ATOM 2278 CA THR A 142 1.523 3.133 -4.859 1.00 0.00 C ATOM 2279 C THR A 142 1.395 4.035 -6.082 1.00 0.00 C ATOM 2280 O THR A 142 2.364 4.665 -6.505 1.00 0.00 O ATOM 2281 CB THR A 142 1.405 3.966 -3.581 1.00 0.00 C ATOM 2282 OG1 THR A 142 2.687 4.281 -3.068 1.00 0.00 O ATOM 2283 CG2 THR A 142 0.630 3.269 -2.482 1.00 0.00 C ATOM 0 H THR A 142 3.616 3.006 -4.832 1.00 0.00 H new ATOM 0 HA THR A 142 0.715 2.402 -4.883 1.00 0.00 H new ATOM 0 HB THR A 142 0.863 4.866 -3.872 1.00 0.00 H new ATOM 0 HG1 THR A 142 2.591 4.815 -2.252 1.00 0.00 H new ATOM 0 HG21 THR A 142 0.584 3.914 -1.604 1.00 0.00 H new ATOM 0 HG22 THR A 142 -0.381 3.055 -2.829 1.00 0.00 H new ATOM 0 HG23 THR A 142 1.129 2.336 -2.221 1.00 0.00 H new ATOM 2291 N TYR A 143 0.193 4.089 -6.648 1.00 0.00 N ATOM 2292 CA TYR A 143 -0.062 4.913 -7.823 1.00 0.00 C ATOM 2293 C TYR A 143 -0.938 6.110 -7.471 1.00 0.00 C ATOM 2294 O TYR A 143 -1.643 6.101 -6.461 1.00 0.00 O ATOM 2295 CB TYR A 143 -0.733 4.081 -8.918 1.00 0.00 C ATOM 2296 CG TYR A 143 -0.391 4.536 -10.320 1.00 0.00 C ATOM 2297 CD1 TYR A 143 0.920 4.828 -10.675 1.00 0.00 C ATOM 2298 CD2 TYR A 143 -1.379 4.673 -11.286 1.00 0.00 C ATOM 2299 CE1 TYR A 143 1.236 5.243 -11.955 1.00 0.00 C ATOM 2300 CE2 TYR A 143 -1.071 5.089 -12.567 1.00 0.00 C ATOM 2301 CZ TYR A 143 0.237 5.372 -12.896 1.00 0.00 C ATOM 2302 OH TYR A 143 0.548 5.786 -14.171 1.00 0.00 O ATOM 0 H TYR A 143 -0.619 3.572 -6.311 1.00 0.00 H new ATOM 0 HA TYR A 143 0.895 5.283 -8.190 1.00 0.00 H new ATOM 0 HB2 TYR A 143 -0.439 3.038 -8.802 1.00 0.00 H new ATOM 0 HB3 TYR A 143 -1.814 4.124 -8.785 1.00 0.00 H new ATOM 0 HD1 TYR A 143 1.705 4.729 -9.939 1.00 0.00 H new ATOM 0 HD2 TYR A 143 -2.405 4.451 -11.032 1.00 0.00 H new ATOM 0 HE1 TYR A 143 2.260 5.465 -12.216 1.00 0.00 H new ATOM 0 HE2 TYR A 143 -1.851 5.192 -13.307 1.00 0.00 H new ATOM 0 HH TYR A 143 -0.269 5.824 -14.711 1.00 0.00 H new ATOM 2312 N ILE A 144 -0.890 7.140 -8.310 1.00 0.00 N ATOM 2313 CA ILE A 144 -1.680 8.344 -8.089 1.00 0.00 C ATOM 2314 C ILE A 144 -2.372 8.791 -9.377 1.00 0.00 C ATOM 2315 O ILE A 144 -1.755 9.420 -10.237 1.00 0.00 O ATOM 2316 CB ILE A 144 -0.803 9.496 -7.554 1.00 0.00 C ATOM 2317 CG1 ILE A 144 -1.655 10.740 -7.285 1.00 0.00 C ATOM 2318 CG2 ILE A 144 0.315 9.815 -8.535 1.00 0.00 C ATOM 2319 CD1 ILE A 144 -0.864 11.909 -6.741 1.00 0.00 C ATOM 0 H ILE A 144 -0.311 7.164 -9.150 1.00 0.00 H new ATOM 0 HA ILE A 144 -2.437 8.100 -7.344 1.00 0.00 H new ATOM 0 HB ILE A 144 -0.354 9.178 -6.613 1.00 0.00 H new ATOM 0 HG12 ILE A 144 -2.144 11.042 -8.211 1.00 0.00 H new ATOM 0 HG13 ILE A 144 -2.443 10.484 -6.577 1.00 0.00 H new ATOM 0 HG21 ILE A 144 0.923 10.629 -8.141 1.00 0.00 H new ATOM 0 HG22 ILE A 144 0.938 8.932 -8.676 1.00 0.00 H new ATOM 0 HG23 ILE A 144 -0.114 10.112 -9.492 1.00 0.00 H new ATOM 0 HD11 ILE A 144 -1.532 12.754 -6.575 1.00 0.00 H new ATOM 0 HD12 ILE A 144 -0.396 11.625 -5.798 1.00 0.00 H new ATOM 0 HD13 ILE A 144 -0.093 12.192 -7.458 1.00 0.00 H new ATOM 2331 N PRO A 145 -3.670 8.471 -9.528 1.00 0.00 N ATOM 2332 CA PRO A 145 -4.439 8.845 -10.720 1.00 0.00 C ATOM 2333 C PRO A 145 -4.337 10.334 -11.032 1.00 0.00 C ATOM 2334 O PRO A 145 -4.367 11.171 -10.130 1.00 0.00 O ATOM 2335 CB PRO A 145 -5.876 8.474 -10.348 1.00 0.00 C ATOM 2336 CG PRO A 145 -5.738 7.399 -9.327 1.00 0.00 C ATOM 2337 CD PRO A 145 -4.489 7.722 -8.556 1.00 0.00 C ATOM 0 HA PRO A 145 -4.073 8.341 -11.615 1.00 0.00 H new ATOM 0 HB2 PRO A 145 -6.416 9.333 -9.948 1.00 0.00 H new ATOM 0 HB3 PRO A 145 -6.432 8.125 -11.218 1.00 0.00 H new ATOM 0 HG2 PRO A 145 -6.607 7.371 -8.669 1.00 0.00 H new ATOM 0 HG3 PRO A 145 -5.664 6.419 -9.799 1.00 0.00 H new ATOM 0 HD2 PRO A 145 -4.707 8.319 -7.670 1.00 0.00 H new ATOM 0 HD3 PRO A 145 -3.982 6.819 -8.215 1.00 0.00 H new ATOM 2345 N GLY A 146 -4.218 10.658 -12.316 1.00 0.00 N ATOM 2346 CA GLY A 146 -4.114 12.046 -12.725 1.00 0.00 C ATOM 2347 C GLY A 146 -4.922 12.345 -13.972 1.00 0.00 C ATOM 2348 O GLY A 146 -4.593 11.875 -15.061 1.00 0.00 O ATOM 0 H GLY A 146 -4.192 9.983 -13.080 1.00 0.00 H new ATOM 0 HA2 GLY A 146 -4.455 12.688 -11.912 1.00 0.00 H new ATOM 0 HA3 GLY A 146 -3.067 12.291 -12.907 1.00 0.00 H new ATOM 2352 N THR A 147 -5.983 13.131 -13.813 1.00 0.00 N ATOM 2353 CA THR A 147 -6.841 13.493 -14.935 1.00 0.00 C ATOM 2354 C THR A 147 -6.414 14.828 -15.538 1.00 0.00 C ATOM 2355 O THR A 147 -6.171 15.796 -14.819 1.00 0.00 O ATOM 2356 CB THR A 147 -8.300 13.568 -14.486 1.00 0.00 C ATOM 2357 OG1 THR A 147 -8.629 12.460 -13.666 1.00 0.00 O ATOM 2358 CG2 THR A 147 -9.281 13.595 -15.638 1.00 0.00 C ATOM 0 H THR A 147 -6.268 13.529 -12.918 1.00 0.00 H new ATOM 0 HA THR A 147 -6.742 12.721 -15.698 1.00 0.00 H new ATOM 0 HB THR A 147 -8.386 14.506 -13.937 1.00 0.00 H new ATOM 0 HG1 THR A 147 -9.566 12.526 -13.387 1.00 0.00 H new ATOM 0 HG21 THR A 147 -10.298 13.648 -15.249 1.00 0.00 H new ATOM 0 HG22 THR A 147 -9.085 14.467 -16.262 1.00 0.00 H new ATOM 0 HG23 THR A 147 -9.168 12.689 -16.234 1.00 0.00 H new ATOM 2366 N TYR A 148 -6.325 14.871 -16.864 1.00 0.00 N ATOM 2367 CA TYR A 148 -5.927 16.086 -17.563 1.00 0.00 C ATOM 2368 C TYR A 148 -4.529 16.527 -17.140 1.00 0.00 C ATOM 2369 O TYR A 148 -4.224 17.719 -17.115 1.00 0.00 O ATOM 2370 CB TYR A 148 -6.932 17.208 -17.293 1.00 0.00 C ATOM 2371 CG TYR A 148 -8.267 17.002 -17.971 1.00 0.00 C ATOM 2372 CD1 TYR A 148 -8.416 17.217 -19.335 1.00 0.00 C ATOM 2373 CD2 TYR A 148 -9.380 16.593 -17.247 1.00 0.00 C ATOM 2374 CE1 TYR A 148 -9.636 17.030 -19.958 1.00 0.00 C ATOM 2375 CE2 TYR A 148 -10.603 16.403 -17.863 1.00 0.00 C ATOM 2376 CZ TYR A 148 -10.725 16.623 -19.218 1.00 0.00 C ATOM 2377 OH TYR A 148 -11.940 16.435 -19.836 1.00 0.00 O ATOM 0 H TYR A 148 -6.523 14.078 -17.475 1.00 0.00 H new ATOM 0 HA TYR A 148 -5.911 15.870 -18.631 1.00 0.00 H new ATOM 0 HB2 TYR A 148 -7.089 17.292 -16.218 1.00 0.00 H new ATOM 0 HB3 TYR A 148 -6.506 18.154 -17.628 1.00 0.00 H new ATOM 0 HD1 TYR A 148 -7.565 17.535 -19.919 1.00 0.00 H new ATOM 0 HD2 TYR A 148 -9.288 16.421 -16.185 1.00 0.00 H new ATOM 0 HE1 TYR A 148 -9.735 17.202 -21.020 1.00 0.00 H new ATOM 0 HE2 TYR A 148 -11.458 16.084 -17.286 1.00 0.00 H new ATOM 0 HH TYR A 148 -12.603 16.147 -19.174 1.00 0.00 H new ATOM 2387 N ASN A 149 -3.685 15.557 -16.807 1.00 0.00 N ATOM 2388 CA ASN A 149 -2.319 15.843 -16.384 1.00 0.00 C ATOM 2389 C ASN A 149 -1.365 14.746 -16.844 1.00 0.00 C ATOM 2390 O ASN A 149 -1.736 13.880 -17.635 1.00 0.00 O ATOM 2391 CB ASN A 149 -2.255 15.988 -14.862 1.00 0.00 C ATOM 2392 CG ASN A 149 -1.318 17.096 -14.424 1.00 0.00 C ATOM 2393 OD1 ASN A 149 -0.926 17.946 -15.225 1.00 0.00 O ATOM 2394 ND2 ASN A 149 -0.952 17.093 -13.148 1.00 0.00 N ATOM 0 H ASN A 149 -3.923 14.565 -16.822 1.00 0.00 H new ATOM 0 HA ASN A 149 -2.011 16.782 -16.845 1.00 0.00 H new ATOM 0 HB2 ASN A 149 -3.255 16.188 -14.477 1.00 0.00 H new ATOM 0 HB3 ASN A 149 -1.928 15.045 -14.424 1.00 0.00 H new ATOM 0 HD21 ASN A 149 -0.322 17.814 -12.796 1.00 0.00 H new ATOM 0 HD22 ASN A 149 -1.301 16.370 -12.519 1.00 0.00 H new ATOM 2401 N ASN A 150 -0.135 14.791 -16.344 1.00 0.00 N ATOM 2402 CA ASN A 150 0.873 13.801 -16.705 1.00 0.00 C ATOM 2403 C ASN A 150 2.077 13.885 -15.771 1.00 0.00 C ATOM 2404 O ASN A 150 2.291 14.900 -15.109 1.00 0.00 O ATOM 2405 CB ASN A 150 1.322 14.003 -18.153 1.00 0.00 C ATOM 2406 CG ASN A 150 1.661 15.450 -18.457 1.00 0.00 C ATOM 2407 OD1 ASN A 150 0.846 16.348 -18.245 1.00 0.00 O ATOM 2408 ND2 ASN A 150 2.869 15.682 -18.957 1.00 0.00 N ATOM 0 H ASN A 150 0.188 15.502 -15.688 1.00 0.00 H new ATOM 0 HA ASN A 150 0.426 12.812 -16.605 1.00 0.00 H new ATOM 0 HB2 ASN A 150 2.194 13.379 -18.351 1.00 0.00 H new ATOM 0 HB3 ASN A 150 0.532 13.669 -18.825 1.00 0.00 H new ATOM 0 HD21 ASN A 150 3.154 16.635 -19.182 1.00 0.00 H new ATOM 0 HD22 ASN A 150 3.512 14.907 -19.116 1.00 0.00 H new ATOM 2415 N GLY A 151 2.858 12.811 -15.724 1.00 0.00 N ATOM 2416 CA GLY A 151 4.031 12.784 -14.868 1.00 0.00 C ATOM 2417 C GLY A 151 3.850 11.879 -13.665 1.00 0.00 C ATOM 2418 O GLY A 151 4.439 12.113 -12.611 1.00 0.00 O ATOM 0 H GLY A 151 2.700 11.959 -16.263 1.00 0.00 H new ATOM 0 HA2 GLY A 151 4.891 12.447 -15.446 1.00 0.00 H new ATOM 0 HA3 GLY A 151 4.252 13.796 -14.528 1.00 0.00 H new ATOM 2422 N ASN A 152 3.032 10.843 -13.824 1.00 0.00 N ATOM 2423 CA ASN A 152 2.775 9.899 -12.743 1.00 0.00 C ATOM 2424 C ASN A 152 4.053 9.170 -12.342 1.00 0.00 C ATOM 2425 O ASN A 152 4.622 8.415 -13.132 1.00 0.00 O ATOM 2426 CB ASN A 152 1.706 8.889 -13.162 1.00 0.00 C ATOM 2427 CG ASN A 152 0.370 9.545 -13.446 1.00 0.00 C ATOM 2428 OD1 ASN A 152 0.225 10.761 -13.328 1.00 0.00 O ATOM 2429 ND2 ASN A 152 -0.617 8.740 -13.824 1.00 0.00 N ATOM 0 H ASN A 152 2.536 10.636 -14.691 1.00 0.00 H new ATOM 0 HA ASN A 152 2.414 10.461 -11.882 1.00 0.00 H new ATOM 0 HB2 ASN A 152 2.042 8.356 -14.052 1.00 0.00 H new ATOM 0 HB3 ASN A 152 1.583 8.147 -12.373 1.00 0.00 H new ATOM 0 HD21 ASN A 152 -1.539 9.125 -14.029 1.00 0.00 H new ATOM 0 HD22 ASN A 152 -0.453 7.737 -13.909 1.00 0.00 H new ATOM 2436 N VAL A 153 4.499 9.398 -11.111 1.00 0.00 N ATOM 2437 CA VAL A 153 5.710 8.763 -10.608 1.00 0.00 C ATOM 2438 C VAL A 153 5.379 7.686 -9.580 1.00 0.00 C ATOM 2439 O VAL A 153 4.624 7.925 -8.637 1.00 0.00 O ATOM 2440 CB VAL A 153 6.660 9.791 -9.966 1.00 0.00 C ATOM 2441 CG1 VAL A 153 7.287 10.676 -11.033 1.00 0.00 C ATOM 2442 CG2 VAL A 153 5.921 10.629 -8.934 1.00 0.00 C ATOM 0 H VAL A 153 4.039 10.018 -10.444 1.00 0.00 H new ATOM 0 HA VAL A 153 6.206 8.307 -11.465 1.00 0.00 H new ATOM 0 HB VAL A 153 7.460 9.253 -9.457 1.00 0.00 H new ATOM 0 HG11 VAL A 153 7.955 11.396 -10.561 1.00 0.00 H new ATOM 0 HG12 VAL A 153 7.853 10.059 -11.731 1.00 0.00 H new ATOM 0 HG13 VAL A 153 6.503 11.207 -11.572 1.00 0.00 H new ATOM 0 HG21 VAL A 153 6.608 11.350 -8.491 1.00 0.00 H new ATOM 0 HG22 VAL A 153 5.100 11.159 -9.416 1.00 0.00 H new ATOM 0 HG23 VAL A 153 5.524 9.979 -8.154 1.00 0.00 H new ATOM 2452 N TYR A 154 5.949 6.500 -9.768 1.00 0.00 N ATOM 2453 CA TYR A 154 5.714 5.386 -8.855 1.00 0.00 C ATOM 2454 C TYR A 154 6.333 5.663 -7.489 1.00 0.00 C ATOM 2455 O TYR A 154 7.453 6.165 -7.394 1.00 0.00 O ATOM 2456 CB TYR A 154 6.290 4.094 -9.437 1.00 0.00 C ATOM 2457 CG TYR A 154 5.352 3.388 -10.390 1.00 0.00 C ATOM 2458 CD1 TYR A 154 4.931 4.002 -11.563 1.00 0.00 C ATOM 2459 CD2 TYR A 154 4.889 2.107 -10.117 1.00 0.00 C ATOM 2460 CE1 TYR A 154 4.072 3.360 -12.436 1.00 0.00 C ATOM 2461 CE2 TYR A 154 4.030 1.459 -10.985 1.00 0.00 C ATOM 2462 CZ TYR A 154 3.626 2.089 -12.143 1.00 0.00 C ATOM 2463 OH TYR A 154 2.772 1.447 -13.010 1.00 0.00 O ATOM 0 H TYR A 154 6.576 6.285 -10.543 1.00 0.00 H new ATOM 0 HA TYR A 154 4.637 5.272 -8.729 1.00 0.00 H new ATOM 0 HB2 TYR A 154 7.219 4.323 -9.958 1.00 0.00 H new ATOM 0 HB3 TYR A 154 6.541 3.418 -8.620 1.00 0.00 H new ATOM 0 HD1 TYR A 154 5.280 4.997 -11.797 1.00 0.00 H new ATOM 0 HD2 TYR A 154 5.205 1.609 -9.212 1.00 0.00 H new ATOM 0 HE1 TYR A 154 3.752 3.852 -13.343 1.00 0.00 H new ATOM 0 HE2 TYR A 154 3.677 0.464 -10.757 1.00 0.00 H new ATOM 0 HH TYR A 154 2.554 0.559 -12.657 1.00 0.00 H new ATOM 2473 N PHE A 155 5.597 5.332 -6.433 1.00 0.00 N ATOM 2474 CA PHE A 155 6.075 5.545 -5.072 1.00 0.00 C ATOM 2475 C PHE A 155 6.479 4.225 -4.424 1.00 0.00 C ATOM 2476 O PHE A 155 5.659 3.319 -4.275 1.00 0.00 O ATOM 2477 CB PHE A 155 4.995 6.231 -4.233 1.00 0.00 C ATOM 2478 CG PHE A 155 5.534 7.278 -3.300 1.00 0.00 C ATOM 2479 CD1 PHE A 155 6.263 6.914 -2.179 1.00 0.00 C ATOM 2480 CD2 PHE A 155 5.313 8.623 -3.545 1.00 0.00 C ATOM 2481 CE1 PHE A 155 6.761 7.875 -1.318 1.00 0.00 C ATOM 2482 CE2 PHE A 155 5.808 9.588 -2.688 1.00 0.00 C ATOM 2483 CZ PHE A 155 6.533 9.214 -1.574 1.00 0.00 C ATOM 0 H PHE A 155 4.668 4.915 -6.494 1.00 0.00 H new ATOM 0 HA PHE A 155 6.953 6.189 -5.118 1.00 0.00 H new ATOM 0 HB2 PHE A 155 4.266 6.691 -4.900 1.00 0.00 H new ATOM 0 HB3 PHE A 155 4.464 5.477 -3.652 1.00 0.00 H new ATOM 0 HD1 PHE A 155 6.444 5.869 -1.976 1.00 0.00 H new ATOM 0 HD2 PHE A 155 4.748 8.921 -4.415 1.00 0.00 H new ATOM 0 HE1 PHE A 155 7.327 7.580 -0.447 1.00 0.00 H new ATOM 0 HE2 PHE A 155 5.628 10.634 -2.890 1.00 0.00 H new ATOM 0 HZ PHE A 155 6.921 9.967 -0.904 1.00 0.00 H new ATOM 2493 N ALA A 156 7.747 4.125 -4.040 1.00 0.00 N ATOM 2494 CA ALA A 156 8.261 2.917 -3.407 1.00 0.00 C ATOM 2495 C ALA A 156 8.193 3.022 -1.887 1.00 0.00 C ATOM 2496 O ALA A 156 8.591 4.032 -1.307 1.00 0.00 O ATOM 2497 CB ALA A 156 9.691 2.653 -3.856 1.00 0.00 C ATOM 0 H ALA A 156 8.438 4.867 -4.156 1.00 0.00 H new ATOM 0 HA ALA A 156 7.634 2.080 -3.716 1.00 0.00 H new ATOM 0 HB1 ALA A 156 10.062 1.748 -3.375 1.00 0.00 H new ATOM 0 HB2 ALA A 156 9.715 2.525 -4.938 1.00 0.00 H new ATOM 0 HB3 ALA A 156 10.322 3.497 -3.576 1.00 0.00 H new ATOM 2503 N TRP A 157 7.689 1.973 -1.248 1.00 0.00 N ATOM 2504 CA TRP A 157 7.569 1.947 0.205 1.00 0.00 C ATOM 2505 C TRP A 157 8.179 0.671 0.778 1.00 0.00 C ATOM 2506 O TRP A 157 8.090 -0.397 0.174 1.00 0.00 O ATOM 2507 CB TRP A 157 6.100 2.059 0.620 1.00 0.00 C ATOM 2508 CG TRP A 157 5.746 3.392 1.207 1.00 0.00 C ATOM 2509 CD1 TRP A 157 6.402 4.574 1.012 1.00 0.00 C ATOM 2510 CD2 TRP A 157 4.654 3.678 2.088 1.00 0.00 C ATOM 2511 NE1 TRP A 157 5.784 5.578 1.717 1.00 0.00 N ATOM 2512 CE2 TRP A 157 4.709 5.054 2.386 1.00 0.00 C ATOM 2513 CE3 TRP A 157 3.635 2.907 2.654 1.00 0.00 C ATOM 2514 CZ2 TRP A 157 3.783 5.671 3.224 1.00 0.00 C ATOM 2515 CZ3 TRP A 157 2.717 3.522 3.484 1.00 0.00 C ATOM 2516 CH2 TRP A 157 2.797 4.892 3.762 1.00 0.00 C ATOM 0 H TRP A 157 7.357 1.128 -1.713 1.00 0.00 H new ATOM 0 HA TRP A 157 8.116 2.800 0.606 1.00 0.00 H new ATOM 0 HB2 TRP A 157 5.470 1.875 -0.250 1.00 0.00 H new ATOM 0 HB3 TRP A 157 5.875 1.279 1.347 1.00 0.00 H new ATOM 0 HD1 TRP A 157 7.278 4.701 0.394 1.00 0.00 H new ATOM 0 HE1 TRP A 157 6.078 6.555 1.739 1.00 0.00 H new ATOM 0 HE3 TRP A 157 3.566 1.849 2.446 1.00 0.00 H new ATOM 0 HZ2 TRP A 157 3.842 6.727 3.441 1.00 0.00 H new ATOM 0 HZ3 TRP A 157 1.925 2.936 3.926 1.00 0.00 H new ATOM 0 HH2 TRP A 157 2.064 5.343 4.415 1.00 0.00 H new ATOM 2527 N MET A 158 8.798 0.792 1.949 1.00 0.00 N ATOM 2528 CA MET A 158 9.423 -0.352 2.604 1.00 0.00 C ATOM 2529 C MET A 158 8.453 -1.020 3.575 1.00 0.00 C ATOM 2530 O MET A 158 7.607 -0.359 4.175 1.00 0.00 O ATOM 2531 CB MET A 158 10.685 0.087 3.347 1.00 0.00 C ATOM 2532 CG MET A 158 11.666 0.858 2.477 1.00 0.00 C ATOM 2533 SD MET A 158 12.901 -0.209 1.712 1.00 0.00 S ATOM 2534 CE MET A 158 13.721 -0.872 3.160 1.00 0.00 C ATOM 0 H MET A 158 8.880 1.669 2.463 1.00 0.00 H new ATOM 0 HA MET A 158 9.695 -1.075 1.835 1.00 0.00 H new ATOM 0 HB2 MET A 158 10.399 0.708 4.196 1.00 0.00 H new ATOM 0 HB3 MET A 158 11.184 -0.794 3.750 1.00 0.00 H new ATOM 0 HG2 MET A 158 11.117 1.388 1.699 1.00 0.00 H new ATOM 0 HG3 MET A 158 12.168 1.612 3.083 1.00 0.00 H new ATOM 0 HE1 MET A 158 14.767 -1.071 2.927 1.00 0.00 H new ATOM 0 HE2 MET A 158 13.662 -0.150 3.974 1.00 0.00 H new ATOM 0 HE3 MET A 158 13.234 -1.799 3.462 1.00 0.00 H new ATOM 2544 N ARG A 159 8.584 -2.334 3.722 1.00 0.00 N ATOM 2545 CA ARG A 159 7.720 -3.092 4.619 1.00 0.00 C ATOM 2546 C ARG A 159 8.522 -4.121 5.408 1.00 0.00 C ATOM 2547 O ARG A 159 9.371 -4.820 4.853 1.00 0.00 O ATOM 2548 CB ARG A 159 6.611 -3.790 3.828 1.00 0.00 C ATOM 2549 CG ARG A 159 5.271 -3.804 4.542 1.00 0.00 C ATOM 2550 CD ARG A 159 4.324 -4.824 3.929 1.00 0.00 C ATOM 2551 NE ARG A 159 2.929 -4.406 4.029 1.00 0.00 N ATOM 2552 CZ ARG A 159 1.894 -5.231 3.885 1.00 0.00 C ATOM 2553 NH1 ARG A 159 2.095 -6.519 3.636 1.00 0.00 N ATOM 2554 NH2 ARG A 159 0.657 -4.767 3.990 1.00 0.00 N ATOM 0 H ARG A 159 9.280 -2.896 3.232 1.00 0.00 H new ATOM 0 HA ARG A 159 7.269 -2.392 5.323 1.00 0.00 H new ATOM 0 HB2 ARG A 159 6.495 -3.293 2.865 1.00 0.00 H new ATOM 0 HB3 ARG A 159 6.914 -4.817 3.622 1.00 0.00 H new ATOM 0 HG2 ARG A 159 5.422 -4.034 5.597 1.00 0.00 H new ATOM 0 HG3 ARG A 159 4.821 -2.812 4.493 1.00 0.00 H new ATOM 0 HD2 ARG A 159 4.583 -4.975 2.881 1.00 0.00 H new ATOM 0 HD3 ARG A 159 4.451 -5.784 4.430 1.00 0.00 H new ATOM 0 HE ARG A 159 2.736 -3.423 4.221 1.00 0.00 H new ATOM 0 HH11 ARG A 159 3.045 -6.880 3.554 1.00 0.00 H new ATOM 0 HH12 ARG A 159 1.299 -7.148 3.526 1.00 0.00 H new ATOM 0 HH21 ARG A 159 0.498 -3.778 4.181 1.00 0.00 H new ATOM 0 HH22 ARG A 159 -0.136 -5.399 3.880 1.00 0.00 H new ATOM 2568 N PHE A 160 8.248 -4.210 6.705 1.00 0.00 N ATOM 2569 CA PHE A 160 8.944 -5.154 7.571 1.00 0.00 C ATOM 2570 C PHE A 160 7.970 -6.164 8.171 1.00 0.00 C ATOM 2571 O PHE A 160 6.812 -5.840 8.436 1.00 0.00 O ATOM 2572 CB PHE A 160 9.674 -4.408 8.691 1.00 0.00 C ATOM 2573 CG PHE A 160 10.805 -5.189 9.295 1.00 0.00 C ATOM 2574 CD1 PHE A 160 12.076 -5.129 8.747 1.00 0.00 C ATOM 2575 CD2 PHE A 160 10.597 -5.984 10.411 1.00 0.00 C ATOM 2576 CE1 PHE A 160 13.119 -5.848 9.301 1.00 0.00 C ATOM 2577 CE2 PHE A 160 11.636 -6.704 10.970 1.00 0.00 C ATOM 2578 CZ PHE A 160 12.899 -6.636 10.413 1.00 0.00 C ATOM 0 H PHE A 160 7.548 -3.639 7.180 1.00 0.00 H new ATOM 0 HA PHE A 160 9.673 -5.693 6.966 1.00 0.00 H new ATOM 0 HB2 PHE A 160 10.062 -3.468 8.298 1.00 0.00 H new ATOM 0 HB3 PHE A 160 8.959 -4.155 9.474 1.00 0.00 H new ATOM 0 HD1 PHE A 160 12.254 -4.514 7.877 1.00 0.00 H new ATOM 0 HD2 PHE A 160 9.611 -6.042 10.849 1.00 0.00 H new ATOM 0 HE1 PHE A 160 14.105 -5.793 8.864 1.00 0.00 H new ATOM 0 HE2 PHE A 160 11.461 -7.319 11.841 1.00 0.00 H new ATOM 0 HZ PHE A 160 13.713 -7.198 10.847 1.00 0.00 H new ATOM 2588 N GLN A 161 8.446 -7.386 8.379 1.00 0.00 N ATOM 2589 CA GLN A 161 7.617 -8.443 8.946 1.00 0.00 C ATOM 2590 C GLN A 161 7.940 -8.656 10.421 1.00 0.00 C ATOM 2591 O GLN A 161 9.103 -8.610 10.825 1.00 0.00 O ATOM 2592 CB GLN A 161 7.818 -9.748 8.174 1.00 0.00 C ATOM 2593 CG GLN A 161 7.125 -9.767 6.821 1.00 0.00 C ATOM 2594 CD GLN A 161 6.142 -10.914 6.683 1.00 0.00 C ATOM 2595 OE1 GLN A 161 5.630 -11.430 7.675 1.00 0.00 O ATOM 2596 NE2 GLN A 161 5.876 -11.319 5.447 1.00 0.00 N ATOM 0 H GLN A 161 9.402 -7.670 8.164 1.00 0.00 H new ATOM 0 HA GLN A 161 6.574 -8.137 8.862 1.00 0.00 H new ATOM 0 HB2 GLN A 161 8.885 -9.914 8.029 1.00 0.00 H new ATOM 0 HB3 GLN A 161 7.446 -10.577 8.775 1.00 0.00 H new ATOM 0 HG2 GLN A 161 6.599 -8.824 6.673 1.00 0.00 H new ATOM 0 HG3 GLN A 161 7.875 -9.840 6.034 1.00 0.00 H new ATOM 0 HE21 GLN A 161 6.324 -10.862 4.653 1.00 0.00 H new ATOM 0 HE22 GLN A 161 5.224 -12.087 5.291 1.00 0.00 H new ATOM 2605 N PHE A 162 6.905 -8.889 11.222 1.00 0.00 N ATOM 2606 CA PHE A 162 7.080 -9.110 12.653 1.00 0.00 C ATOM 2607 C PHE A 162 6.207 -10.265 13.136 1.00 0.00 C ATOM 2608 O PHE A 162 4.981 -10.210 13.041 1.00 0.00 O ATOM 2609 CB PHE A 162 6.741 -7.837 13.431 1.00 0.00 C ATOM 2610 CG PHE A 162 7.942 -6.996 13.758 1.00 0.00 C ATOM 2611 CD1 PHE A 162 8.940 -7.484 14.587 1.00 0.00 C ATOM 2612 CD2 PHE A 162 8.073 -5.719 13.237 1.00 0.00 C ATOM 2613 CE1 PHE A 162 10.046 -6.713 14.889 1.00 0.00 C ATOM 2614 CE2 PHE A 162 9.177 -4.943 13.537 1.00 0.00 C ATOM 2615 CZ PHE A 162 10.165 -5.441 14.364 1.00 0.00 C ATOM 0 H PHE A 162 5.937 -8.930 10.904 1.00 0.00 H new ATOM 0 HA PHE A 162 8.124 -9.369 12.831 1.00 0.00 H new ATOM 0 HB2 PHE A 162 6.038 -7.241 12.849 1.00 0.00 H new ATOM 0 HB3 PHE A 162 6.236 -8.111 14.357 1.00 0.00 H new ATOM 0 HD1 PHE A 162 8.852 -8.478 15.001 1.00 0.00 H new ATOM 0 HD2 PHE A 162 7.304 -5.325 12.589 1.00 0.00 H new ATOM 0 HE1 PHE A 162 10.817 -7.105 15.535 1.00 0.00 H new ATOM 0 HE2 PHE A 162 9.267 -3.949 13.125 1.00 0.00 H new ATOM 0 HZ PHE A 162 11.029 -4.837 14.600 1.00 0.00 H new ATOM 2625 N LEU A 163 6.848 -11.307 13.654 1.00 0.00 N ATOM 2626 CA LEU A 163 6.129 -12.475 14.153 1.00 0.00 C ATOM 2627 C LEU A 163 6.017 -12.435 15.674 1.00 0.00 C ATOM 2628 O LEU A 163 6.894 -11.911 16.358 1.00 0.00 O ATOM 2629 CB LEU A 163 6.837 -13.759 13.716 1.00 0.00 C ATOM 2630 CG LEU A 163 8.236 -13.959 14.300 1.00 0.00 C ATOM 2631 CD1 LEU A 163 8.513 -15.436 14.529 1.00 0.00 C ATOM 2632 CD2 LEU A 163 9.287 -13.351 13.384 1.00 0.00 C ATOM 0 H LEU A 163 7.863 -11.367 13.740 1.00 0.00 H new ATOM 0 HA LEU A 163 5.124 -12.460 13.732 1.00 0.00 H new ATOM 0 HB2 LEU A 163 6.218 -14.611 13.997 1.00 0.00 H new ATOM 0 HB3 LEU A 163 6.910 -13.763 12.628 1.00 0.00 H new ATOM 0 HG LEU A 163 8.284 -13.450 15.262 1.00 0.00 H new ATOM 0 HD11 LEU A 163 9.513 -15.558 14.945 1.00 0.00 H new ATOM 0 HD12 LEU A 163 7.778 -15.840 15.225 1.00 0.00 H new ATOM 0 HD13 LEU A 163 8.446 -15.970 13.581 1.00 0.00 H new ATOM 0 HD21 LEU A 163 10.277 -13.502 13.815 1.00 0.00 H new ATOM 0 HD22 LEU A 163 9.239 -13.831 12.407 1.00 0.00 H new ATOM 0 HD23 LEU A 163 9.099 -12.283 13.273 1.00 0.00 H new ATOM 2644 N GLU A 164 4.929 -12.994 16.195 1.00 0.00 N ATOM 2645 CA GLU A 164 4.702 -13.026 17.635 1.00 0.00 C ATOM 2646 C GLU A 164 5.201 -14.334 18.237 1.00 0.00 C ATOM 2647 O GLU A 164 4.596 -15.389 18.046 1.00 0.00 O ATOM 2648 CB GLU A 164 3.213 -12.845 17.940 1.00 0.00 C ATOM 2649 CG GLU A 164 2.941 -12.272 19.322 1.00 0.00 C ATOM 2650 CD GLU A 164 1.631 -11.510 19.389 1.00 0.00 C ATOM 2651 OE1 GLU A 164 0.929 -11.627 20.414 1.00 0.00 O ATOM 2652 OE2 GLU A 164 1.310 -10.797 18.416 1.00 0.00 O ATOM 0 H GLU A 164 4.192 -13.430 15.642 1.00 0.00 H new ATOM 0 HA GLU A 164 5.261 -12.206 18.084 1.00 0.00 H new ATOM 0 HB2 GLU A 164 2.774 -12.187 17.190 1.00 0.00 H new ATOM 0 HB3 GLU A 164 2.712 -13.809 17.850 1.00 0.00 H new ATOM 0 HG2 GLU A 164 2.923 -13.083 20.051 1.00 0.00 H new ATOM 0 HG3 GLU A 164 3.758 -11.608 19.604 1.00 0.00 H new ATOM 2660 N HIS A 165 6.311 -14.259 18.965 1.00 0.00 N ATOM 2661 CA HIS A 165 6.893 -15.438 19.595 1.00 0.00 C ATOM 2662 C HIS A 165 7.226 -15.166 21.058 1.00 0.00 C ATOM 2663 O HIS A 165 7.050 -14.050 21.549 1.00 0.00 O ATOM 2664 CB HIS A 165 8.154 -15.871 18.845 1.00 0.00 C ATOM 2665 CG HIS A 165 9.164 -14.778 18.692 1.00 0.00 C ATOM 2666 ND1 HIS A 165 9.986 -14.660 17.590 1.00 0.00 N ATOM 2667 CD2 HIS A 165 9.483 -13.745 19.508 1.00 0.00 C ATOM 2668 CE1 HIS A 165 10.767 -13.604 17.737 1.00 0.00 C ATOM 2669 NE2 HIS A 165 10.481 -13.032 18.892 1.00 0.00 N ATOM 0 H HIS A 165 6.825 -13.394 19.133 1.00 0.00 H new ATOM 0 HA HIS A 165 6.158 -16.242 19.553 1.00 0.00 H new ATOM 0 HB2 HIS A 165 8.612 -16.707 19.374 1.00 0.00 H new ATOM 0 HB3 HIS A 165 7.872 -16.235 17.857 1.00 0.00 H new ATOM 0 HD2 HIS A 165 9.035 -13.524 20.466 1.00 0.00 H new ATOM 0 HE1 HIS A 165 11.512 -13.266 17.032 1.00 0.00 H new ATOM 0 HE2 HIS A 165 10.929 -12.196 19.266 1.00 0.00 H new ATOM 2678 N HIS A 166 7.709 -16.192 21.751 1.00 0.00 N ATOM 2679 CA HIS A 166 8.068 -16.065 23.159 1.00 0.00 C ATOM 2680 C HIS A 166 9.312 -16.886 23.480 1.00 0.00 C ATOM 2681 O HIS A 166 9.476 -18.002 22.985 1.00 0.00 O ATOM 2682 CB HIS A 166 6.904 -16.511 24.047 1.00 0.00 C ATOM 2683 CG HIS A 166 6.046 -15.379 24.524 1.00 0.00 C ATOM 2684 ND1 HIS A 166 4.702 -15.517 24.801 1.00 0.00 N ATOM 2685 CD2 HIS A 166 6.349 -14.082 24.773 1.00 0.00 C ATOM 2686 CE1 HIS A 166 4.215 -14.356 25.199 1.00 0.00 C ATOM 2687 NE2 HIS A 166 5.194 -13.469 25.191 1.00 0.00 N ATOM 0 H HIS A 166 7.861 -17.122 21.360 1.00 0.00 H new ATOM 0 HA HIS A 166 8.286 -15.016 23.359 1.00 0.00 H new ATOM 0 HB2 HIS A 166 6.285 -17.217 23.493 1.00 0.00 H new ATOM 0 HB3 HIS A 166 7.301 -17.044 24.911 1.00 0.00 H new ATOM 0 HD2 HIS A 166 7.318 -13.617 24.663 1.00 0.00 H new ATOM 0 HE1 HIS A 166 3.191 -14.164 25.483 1.00 0.00 H new ATOM 0 HE2 HIS A 166 5.106 -12.487 25.453 1.00 0.00 H new ATOM 2696 N HIS A 167 10.187 -16.328 24.311 1.00 0.00 N ATOM 2697 CA HIS A 167 11.417 -17.011 24.697 1.00 0.00 C ATOM 2698 C HIS A 167 11.276 -17.644 26.078 1.00 0.00 C ATOM 2699 O HIS A 167 11.404 -16.968 27.099 1.00 0.00 O ATOM 2700 CB HIS A 167 12.591 -16.032 24.690 1.00 0.00 C ATOM 2701 CG HIS A 167 12.295 -14.735 25.376 1.00 0.00 C ATOM 2702 ND1 HIS A 167 12.457 -14.546 26.733 1.00 0.00 N ATOM 2703 CD2 HIS A 167 11.842 -13.556 24.885 1.00 0.00 C ATOM 2704 CE1 HIS A 167 12.117 -13.308 27.046 1.00 0.00 C ATOM 2705 NE2 HIS A 167 11.742 -12.687 25.944 1.00 0.00 N ATOM 0 H HIS A 167 10.067 -15.406 24.730 1.00 0.00 H new ATOM 0 HA HIS A 167 11.608 -17.802 23.972 1.00 0.00 H new ATOM 0 HB2 HIS A 167 13.448 -16.502 25.174 1.00 0.00 H new ATOM 0 HB3 HIS A 167 12.879 -15.830 23.658 1.00 0.00 H new ATOM 0 HD1 HIS A 167 12.787 -15.251 27.392 1.00 0.00 H new ATOM 0 HD2 HIS A 167 11.604 -13.340 23.854 1.00 0.00 H new ATOM 0 HE1 HIS A 167 12.142 -12.877 28.036 1.00 0.00 H new ATOM 2714 N HIS A 168 11.013 -18.946 26.102 1.00 0.00 N ATOM 2715 CA HIS A 168 10.856 -19.672 27.357 1.00 0.00 C ATOM 2716 C HIS A 168 12.211 -20.101 27.910 1.00 0.00 C ATOM 2717 O HIS A 168 12.904 -20.926 27.314 1.00 0.00 O ATOM 2718 CB HIS A 168 9.960 -20.897 27.154 1.00 0.00 C ATOM 2719 CG HIS A 168 8.806 -20.957 28.106 1.00 0.00 C ATOM 2720 ND1 HIS A 168 7.489 -20.915 27.698 1.00 0.00 N ATOM 2721 CD2 HIS A 168 8.775 -21.057 29.457 1.00 0.00 C ATOM 2722 CE1 HIS A 168 6.700 -20.986 28.755 1.00 0.00 C ATOM 2723 NE2 HIS A 168 7.455 -21.074 29.834 1.00 0.00 N ATOM 0 H HIS A 168 10.904 -19.521 25.266 1.00 0.00 H new ATOM 0 HA HIS A 168 10.386 -19.004 28.079 1.00 0.00 H new ATOM 0 HB2 HIS A 168 9.579 -20.893 26.133 1.00 0.00 H new ATOM 0 HB3 HIS A 168 10.561 -21.799 27.266 1.00 0.00 H new ATOM 0 HD2 HIS A 168 9.630 -21.113 30.115 1.00 0.00 H new ATOM 0 HE1 HIS A 168 5.620 -20.974 28.739 1.00 0.00 H new ATOM 0 HE2 HIS A 168 7.113 -21.143 30.793 1.00 0.00 H new ATOM 2732 N HIS A 169 12.584 -19.536 29.053 1.00 0.00 N ATOM 2733 CA HIS A 169 13.857 -19.859 29.686 1.00 0.00 C ATOM 2734 C HIS A 169 13.930 -21.343 30.035 1.00 0.00 C ATOM 2735 O HIS A 169 12.940 -21.940 30.458 1.00 0.00 O ATOM 2736 CB HIS A 169 14.052 -19.016 30.948 1.00 0.00 C ATOM 2737 CG HIS A 169 14.747 -17.715 30.697 1.00 0.00 C ATOM 2738 ND1 HIS A 169 14.793 -17.113 29.456 1.00 0.00 N ATOM 2739 CD2 HIS A 169 15.427 -16.896 31.535 1.00 0.00 C ATOM 2740 CE1 HIS A 169 15.472 -15.983 29.543 1.00 0.00 C ATOM 2741 NE2 HIS A 169 15.866 -15.828 30.792 1.00 0.00 N ATOM 0 H HIS A 169 12.023 -18.852 29.560 1.00 0.00 H new ATOM 0 HA HIS A 169 14.654 -19.631 28.979 1.00 0.00 H new ATOM 0 HB2 HIS A 169 13.079 -18.818 31.397 1.00 0.00 H new ATOM 0 HB3 HIS A 169 14.626 -19.591 31.674 1.00 0.00 H new ATOM 0 HD2 HIS A 169 15.593 -17.054 32.590 1.00 0.00 H new ATOM 0 HE1 HIS A 169 15.671 -15.302 28.729 1.00 0.00 H new ATOM 0 HE2 HIS A 169 16.409 -15.042 31.149 1.00 0.00 H new ATOM 2750 N HIS A 170 15.108 -21.931 29.855 1.00 0.00 N ATOM 2751 CA HIS A 170 15.309 -23.344 30.151 1.00 0.00 C ATOM 2752 C HIS A 170 16.695 -23.584 30.741 1.00 0.00 C ATOM 2753 O HIS A 170 16.878 -24.617 31.420 1.00 0.00 O ATOM 2754 CB HIS A 170 15.129 -24.183 28.884 1.00 0.00 C ATOM 2755 CG HIS A 170 13.726 -24.666 28.681 1.00 0.00 C ATOM 2756 ND1 HIS A 170 12.887 -24.155 27.713 1.00 0.00 N ATOM 2757 CD2 HIS A 170 13.015 -25.619 29.329 1.00 0.00 C ATOM 2758 CE1 HIS A 170 11.720 -24.773 27.775 1.00 0.00 C ATOM 2759 NE2 HIS A 170 11.773 -25.666 28.745 1.00 0.00 N ATOM 2760 OXT HIS A 170 17.587 -22.738 30.518 1.00 0.00 O ATOM 0 H HIS A 170 15.937 -21.451 29.506 1.00 0.00 H new ATOM 0 HA HIS A 170 14.563 -23.645 30.887 1.00 0.00 H new ATOM 0 HB2 HIS A 170 15.429 -23.590 28.020 1.00 0.00 H new ATOM 0 HB3 HIS A 170 15.798 -25.043 28.929 1.00 0.00 H new ATOM 0 HD2 HIS A 170 13.360 -26.228 30.151 1.00 0.00 H new ATOM 0 HE1 HIS A 170 10.868 -24.580 27.140 1.00 0.00 H new ATOM 0 HE2 HIS A 170 11.014 -26.291 29.017 1.00 0.00 H new TER 2769 HIS A 170