USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 834 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 45 GLN : amide:sc= -2.82 K(o=-4,f=-10!) USER MOD Set 1.2: A 49 GLN : amide:sc= -1.16 K(o=-4,f=-5.8) USER MOD Set 2.1: A 15 THR OG1 : rot -104:sc= 0.0337 USER MOD Set 2.2: A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -130:sc= -0.212 (180deg=-1.52!) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 ASN :FLIP amide:sc= 0 F(o=-0.84,f=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 149:sc= -0.335 (180deg=-1.6!) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 GLN : amide:sc= -0.11 X(o=-0.11,f=-0.27) USER MOD Single : A 51 TYR OH : rot -90:sc= -3.89! USER MOD Single : A 52 TYR OH : rot 15:sc= -0.286 USER MOD Single : A 54 TYR OH : rot 130:sc= 0 USER MOD Single : A 56 SER OG : rot 75:sc= 1.23 USER MOD Single : A 59 HIS : no HD1:sc= -0.121 K(o=-0.12,f=-0.72) USER MOD Single : A 63 THR OG1 : rot -67:sc= 0.946! USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.101 K(o=-0.1,f=-1.6!) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HE2:sc= -9.67! C(o=-9.7!,f=-15!) USER MOD Single : A 74 THR OG1 : rot 119:sc= 0.759 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc=-0.00804 X(o=-0.008,f=0) USER MOD Single : A 105 ASN : amide:sc= -0.168 K(o=-0.17,f=-0.89) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -38.958 -26.835 42.441 1.00 0.00 N ATOM 2 CA GLY A 1 -38.327 -26.335 43.695 1.00 0.00 C ATOM 3 C GLY A 1 -36.821 -26.198 43.575 1.00 0.00 C ATOM 4 O GLY A 1 -36.302 -25.085 43.505 1.00 0.00 O ATOM 0 H1 GLY A 1 -39.755 -26.218 42.184 1.00 0.00 H new ATOM 0 H2 GLY A 1 -38.256 -26.832 41.674 1.00 0.00 H new ATOM 0 H3 GLY A 1 -39.304 -27.804 42.589 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -38.757 -25.367 43.953 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -38.562 -27.016 44.513 1.00 0.00 H new ATOM 10 N PRO A 2 -36.087 -27.323 43.546 1.00 0.00 N ATOM 11 CA PRO A 2 -34.625 -27.310 43.431 1.00 0.00 C ATOM 12 C PRO A 2 -34.157 -26.864 42.050 1.00 0.00 C ATOM 13 O PRO A 2 -34.818 -27.127 41.045 1.00 0.00 O ATOM 14 CB PRO A 2 -34.235 -28.767 43.684 1.00 0.00 C ATOM 15 CG PRO A 2 -35.435 -29.554 43.287 1.00 0.00 C ATOM 16 CD PRO A 2 -36.624 -28.696 43.622 1.00 0.00 C ATOM 0 HA PRO A 2 -34.168 -26.607 44.127 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -33.363 -29.051 43.096 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -33.981 -28.933 44.731 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -35.412 -29.790 42.223 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -35.475 -30.502 43.823 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -37.441 -28.848 42.916 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -37.015 -28.920 44.615 1.00 0.00 H new ATOM 24 N GLY A 3 -33.014 -26.188 42.008 1.00 0.00 N ATOM 25 CA GLY A 3 -32.478 -25.718 40.744 1.00 0.00 C ATOM 26 C GLY A 3 -33.258 -24.545 40.183 1.00 0.00 C ATOM 27 O GLY A 3 -34.231 -24.092 40.787 1.00 0.00 O ATOM 0 H GLY A 3 -32.450 -25.957 42.826 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -31.437 -25.426 40.881 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -32.488 -26.535 40.023 1.00 0.00 H new ATOM 31 N SER A 4 -32.831 -24.052 39.025 1.00 0.00 N ATOM 32 CA SER A 4 -33.495 -22.924 38.382 1.00 0.00 C ATOM 33 C SER A 4 -34.093 -23.336 37.040 1.00 0.00 C ATOM 34 O SER A 4 -35.177 -22.887 36.669 1.00 0.00 O ATOM 35 CB SER A 4 -32.508 -21.772 38.181 1.00 0.00 C ATOM 36 OG SER A 4 -32.067 -21.257 39.424 1.00 0.00 O ATOM 0 H SER A 4 -32.028 -24.416 38.513 1.00 0.00 H new ATOM 0 HA SER A 4 -34.304 -22.592 39.033 1.00 0.00 H new ATOM 0 HB2 SER A 4 -31.652 -22.119 37.603 1.00 0.00 H new ATOM 0 HB3 SER A 4 -32.982 -20.979 37.603 1.00 0.00 H new ATOM 0 HG SER A 4 -31.436 -20.523 39.269 1.00 0.00 H new ATOM 42 N LEU A 5 -33.379 -24.192 36.317 1.00 0.00 N ATOM 43 CA LEU A 5 -33.838 -24.664 35.016 1.00 0.00 C ATOM 44 C LEU A 5 -33.966 -23.507 34.031 1.00 0.00 C ATOM 45 O LEU A 5 -34.817 -23.525 33.143 1.00 0.00 O ATOM 46 CB LEU A 5 -35.184 -25.381 35.154 1.00 0.00 C ATOM 47 CG LEU A 5 -35.478 -26.419 34.070 1.00 0.00 C ATOM 48 CD1 LEU A 5 -35.051 -27.805 34.530 1.00 0.00 C ATOM 49 CD2 LEU A 5 -36.957 -26.408 33.707 1.00 0.00 C ATOM 0 H LEU A 5 -32.480 -24.573 36.610 1.00 0.00 H new ATOM 0 HA LEU A 5 -33.098 -25.366 34.632 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -35.218 -25.873 36.126 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -35.978 -24.635 35.146 1.00 0.00 H new ATOM 0 HG LEU A 5 -34.904 -26.160 33.180 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -35.268 -28.531 33.746 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -33.981 -27.805 34.740 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -35.598 -28.073 35.434 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -37.148 -27.153 32.934 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -37.550 -26.642 34.591 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -37.233 -25.421 33.336 1.00 0.00 H new ATOM 61 N SER A 6 -33.112 -22.501 34.193 1.00 0.00 N ATOM 62 CA SER A 6 -33.128 -21.334 33.319 1.00 0.00 C ATOM 63 C SER A 6 -31.761 -21.116 32.679 1.00 0.00 C ATOM 64 O SER A 6 -30.942 -20.350 33.187 1.00 0.00 O ATOM 65 CB SER A 6 -33.541 -20.087 34.104 1.00 0.00 C ATOM 66 OG SER A 6 -34.412 -20.421 35.170 1.00 0.00 O ATOM 0 H SER A 6 -32.400 -22.471 34.922 1.00 0.00 H new ATOM 0 HA SER A 6 -33.856 -21.514 32.528 1.00 0.00 H new ATOM 0 HB2 SER A 6 -32.654 -19.591 34.497 1.00 0.00 H new ATOM 0 HB3 SER A 6 -34.033 -19.379 33.436 1.00 0.00 H new ATOM 0 HG SER A 6 -34.660 -19.608 35.657 1.00 0.00 H new ATOM 72 N ASN A 7 -31.521 -21.795 31.561 1.00 0.00 N ATOM 73 CA ASN A 7 -30.253 -21.675 30.851 1.00 0.00 C ATOM 74 C ASN A 7 -29.092 -22.124 31.734 1.00 0.00 C ATOM 75 O ASN A 7 -29.289 -22.534 32.877 1.00 0.00 O ATOM 76 CB ASN A 7 -30.036 -20.231 30.392 1.00 0.00 C ATOM 77 CG ASN A 7 -29.582 -20.146 28.948 1.00 0.00 C ATOM 78 OD1 ASN A 7 -28.438 -19.787 28.665 1.00 0.00 O ATOM 79 ND2 ASN A 7 -30.478 -20.479 28.026 1.00 0.00 N ATOM 0 H ASN A 7 -32.188 -22.434 31.128 1.00 0.00 H new ATOM 0 HA ASN A 7 -30.291 -22.323 29.976 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -30.963 -19.671 30.512 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -29.292 -19.757 31.032 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -30.230 -20.443 27.037 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -31.414 -20.771 28.307 1.00 0.00 H new ATOM 86 N PHE A 8 -27.879 -22.043 31.194 1.00 0.00 N ATOM 87 CA PHE A 8 -26.686 -22.441 31.933 1.00 0.00 C ATOM 88 C PHE A 8 -25.912 -21.219 32.417 1.00 0.00 C ATOM 89 O PHE A 8 -25.557 -21.124 33.592 1.00 0.00 O ATOM 90 CB PHE A 8 -25.786 -23.314 31.056 1.00 0.00 C ATOM 91 CG PHE A 8 -25.082 -24.403 31.815 1.00 0.00 C ATOM 92 CD1 PHE A 8 -25.799 -25.296 32.595 1.00 0.00 C ATOM 93 CD2 PHE A 8 -23.705 -24.532 31.749 1.00 0.00 C ATOM 94 CE1 PHE A 8 -25.154 -26.299 33.294 1.00 0.00 C ATOM 95 CE2 PHE A 8 -23.054 -25.531 32.446 1.00 0.00 C ATOM 96 CZ PHE A 8 -23.779 -26.416 33.220 1.00 0.00 C ATOM 0 H PHE A 8 -27.697 -21.706 30.249 1.00 0.00 H new ATOM 0 HA PHE A 8 -27.003 -23.016 32.803 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -26.388 -23.763 30.266 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -25.043 -22.682 30.570 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -26.874 -25.207 32.657 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -23.133 -23.843 31.145 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -25.724 -26.990 33.897 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -21.979 -25.620 32.386 1.00 0.00 H new ATOM 0 HZ PHE A 8 -23.272 -27.198 33.766 1.00 0.00 H new ATOM 106 N ALA A 9 -25.655 -20.287 31.506 1.00 0.00 N ATOM 107 CA ALA A 9 -24.924 -19.072 31.841 1.00 0.00 C ATOM 108 C ALA A 9 -25.675 -18.247 32.880 1.00 0.00 C ATOM 109 O ALA A 9 -26.752 -18.637 33.336 1.00 0.00 O ATOM 110 CB ALA A 9 -24.672 -18.246 30.589 1.00 0.00 C ATOM 0 H ALA A 9 -25.943 -20.350 30.529 1.00 0.00 H new ATOM 0 HA ALA A 9 -23.965 -19.362 32.271 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -24.125 -17.341 30.854 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -24.085 -18.830 29.880 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -25.625 -17.974 30.135 1.00 0.00 H new ATOM 116 N ASN A 10 -25.105 -17.106 33.249 1.00 0.00 N ATOM 117 CA ASN A 10 -25.722 -16.225 34.234 1.00 0.00 C ATOM 118 C ASN A 10 -25.080 -14.843 34.208 1.00 0.00 C ATOM 119 O ASN A 10 -25.725 -13.853 33.864 1.00 0.00 O ATOM 120 CB ASN A 10 -25.605 -16.830 35.633 1.00 0.00 C ATOM 121 CG ASN A 10 -26.787 -16.479 36.516 1.00 0.00 C ATOM 122 OD1 ASN A 10 -27.002 -15.187 36.732 1.00 0.00 O flip ATOM 123 ND2 ASN A 10 -27.500 -17.360 36.999 1.00 0.00 N flip ATOM 0 H ASN A 10 -24.216 -16.769 32.881 1.00 0.00 H new ATOM 0 HA ASN A 10 -26.776 -16.118 33.979 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -25.525 -17.914 35.551 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -24.687 -16.477 36.103 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -27.299 -18.341 36.807 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -28.292 -17.108 37.591 1.00 0.00 H new ATOM 130 N VAL A 11 -23.804 -14.781 34.577 1.00 0.00 N ATOM 131 CA VAL A 11 -23.073 -13.520 34.597 1.00 0.00 C ATOM 132 C VAL A 11 -21.711 -13.661 33.927 1.00 0.00 C ATOM 133 O VAL A 11 -21.092 -14.724 33.976 1.00 0.00 O ATOM 134 CB VAL A 11 -22.875 -13.009 36.036 1.00 0.00 C ATOM 135 CG1 VAL A 11 -24.181 -12.474 36.601 1.00 0.00 C ATOM 136 CG2 VAL A 11 -22.315 -14.114 36.921 1.00 0.00 C ATOM 0 H VAL A 11 -23.255 -15.591 34.866 1.00 0.00 H new ATOM 0 HA VAL A 11 -23.673 -12.799 34.042 1.00 0.00 H new ATOM 0 HB VAL A 11 -22.156 -12.190 36.015 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -24.019 -12.118 37.618 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -24.536 -11.651 35.981 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -24.927 -13.269 36.609 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -22.181 -13.736 37.934 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -23.009 -14.955 36.936 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -21.354 -14.444 36.527 1.00 0.00 H new ATOM 146 N GLY A 12 -21.251 -12.582 33.302 1.00 0.00 N ATOM 147 CA GLY A 12 -19.964 -12.607 32.631 1.00 0.00 C ATOM 148 C GLY A 12 -20.098 -12.698 31.123 1.00 0.00 C ATOM 149 O GLY A 12 -21.189 -12.934 30.604 1.00 0.00 O ATOM 0 H GLY A 12 -21.746 -11.692 33.248 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -19.405 -11.707 32.889 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -19.385 -13.457 32.993 1.00 0.00 H new ATOM 153 N VAL A 13 -18.987 -12.509 30.420 1.00 0.00 N ATOM 154 CA VAL A 13 -18.987 -12.570 28.963 1.00 0.00 C ATOM 155 C VAL A 13 -17.626 -13.009 28.432 1.00 0.00 C ATOM 156 O VAL A 13 -17.539 -13.871 27.557 1.00 0.00 O ATOM 157 CB VAL A 13 -19.353 -11.209 28.341 1.00 0.00 C ATOM 158 CG1 VAL A 13 -20.830 -10.909 28.549 1.00 0.00 C ATOM 159 CG2 VAL A 13 -18.488 -10.104 28.926 1.00 0.00 C ATOM 0 H VAL A 13 -18.076 -12.313 30.835 1.00 0.00 H new ATOM 0 HA VAL A 13 -19.741 -13.304 28.678 1.00 0.00 H new ATOM 0 HB VAL A 13 -19.163 -11.256 27.269 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -21.072 -9.944 28.104 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -21.429 -11.687 28.076 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -21.049 -10.881 29.616 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -18.761 -9.150 28.474 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -18.643 -10.053 30.004 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -17.439 -10.316 28.720 1.00 0.00 H new ATOM 169 N GLY A 14 -16.565 -12.409 28.962 1.00 0.00 N ATOM 170 CA GLY A 14 -15.224 -12.751 28.529 1.00 0.00 C ATOM 171 C GLY A 14 -14.656 -11.743 27.549 1.00 0.00 C ATOM 172 O GLY A 14 -13.443 -11.550 27.481 1.00 0.00 O ATOM 0 H GLY A 14 -16.611 -11.691 29.685 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -14.570 -12.816 29.399 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -15.236 -13.737 28.065 1.00 0.00 H new ATOM 176 N THR A 15 -15.535 -11.098 26.791 1.00 0.00 N ATOM 177 CA THR A 15 -15.114 -10.104 25.811 1.00 0.00 C ATOM 178 C THR A 15 -16.286 -9.223 25.392 1.00 0.00 C ATOM 179 O THR A 15 -17.331 -9.721 24.972 1.00 0.00 O ATOM 180 CB THR A 15 -14.511 -10.789 24.585 1.00 0.00 C ATOM 181 OG1 THR A 15 -14.326 -9.861 23.531 1.00 0.00 O ATOM 182 CG2 THR A 15 -15.364 -11.922 24.052 1.00 0.00 C ATOM 0 H THR A 15 -16.543 -11.245 26.836 1.00 0.00 H new ATOM 0 HA THR A 15 -14.356 -9.472 26.274 1.00 0.00 H new ATOM 0 HB THR A 15 -13.559 -11.198 24.923 1.00 0.00 H new ATOM 0 HG1 THR A 15 -15.026 -9.988 22.857 1.00 0.00 H new ATOM 0 HG21 THR A 15 -14.879 -12.365 23.182 1.00 0.00 H new ATOM 0 HG22 THR A 15 -15.486 -12.681 24.825 1.00 0.00 H new ATOM 0 HG23 THR A 15 -16.342 -11.537 23.765 1.00 0.00 H new ATOM 190 N SER A 16 -16.105 -7.911 25.506 1.00 0.00 N ATOM 191 CA SER A 16 -17.148 -6.961 25.137 1.00 0.00 C ATOM 192 C SER A 16 -16.902 -6.401 23.741 1.00 0.00 C ATOM 193 O SER A 16 -17.201 -5.238 23.465 1.00 0.00 O ATOM 194 CB SER A 16 -17.208 -5.820 26.154 1.00 0.00 C ATOM 195 OG SER A 16 -17.690 -6.276 27.407 1.00 0.00 O ATOM 0 H SER A 16 -15.246 -7.482 25.851 1.00 0.00 H new ATOM 0 HA SER A 16 -18.102 -7.487 25.135 1.00 0.00 H new ATOM 0 HB2 SER A 16 -16.215 -5.388 26.279 1.00 0.00 H new ATOM 0 HB3 SER A 16 -17.856 -5.028 25.778 1.00 0.00 H new ATOM 0 HG SER A 16 -17.717 -5.528 28.039 1.00 0.00 H new ATOM 201 N SER A 17 -16.356 -7.236 22.861 1.00 0.00 N ATOM 202 CA SER A 17 -16.070 -6.825 21.491 1.00 0.00 C ATOM 203 C SER A 17 -16.179 -8.006 20.534 1.00 0.00 C ATOM 204 O SER A 17 -15.822 -9.133 20.879 1.00 0.00 O ATOM 205 CB SER A 17 -14.671 -6.212 21.403 1.00 0.00 C ATOM 206 OG SER A 17 -13.707 -7.046 22.020 1.00 0.00 O ATOM 0 H SER A 17 -16.103 -8.201 23.073 1.00 0.00 H new ATOM 0 HA SER A 17 -16.808 -6.077 21.202 1.00 0.00 H new ATOM 0 HB2 SER A 17 -14.405 -6.056 20.358 1.00 0.00 H new ATOM 0 HB3 SER A 17 -14.669 -5.233 21.882 1.00 0.00 H new ATOM 0 HG SER A 17 -12.822 -6.632 21.948 1.00 0.00 H new ATOM 212 N GLY A 18 -16.675 -7.741 19.330 1.00 0.00 N ATOM 213 CA GLY A 18 -16.824 -8.793 18.340 1.00 0.00 C ATOM 214 C GLY A 18 -16.359 -8.362 16.963 1.00 0.00 C ATOM 215 O GLY A 18 -17.109 -8.455 15.990 1.00 0.00 O ATOM 0 H GLY A 18 -16.977 -6.817 19.022 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -16.255 -9.668 18.655 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -17.870 -9.095 18.289 1.00 0.00 H new ATOM 219 N LYS A 19 -15.121 -7.888 16.879 1.00 0.00 N ATOM 220 CA LYS A 19 -14.557 -7.440 15.611 1.00 0.00 C ATOM 221 C LYS A 19 -13.323 -8.260 15.244 1.00 0.00 C ATOM 222 O LYS A 19 -12.394 -8.389 16.039 1.00 0.00 O ATOM 223 CB LYS A 19 -14.198 -5.952 15.686 1.00 0.00 C ATOM 224 CG LYS A 19 -14.898 -5.104 14.639 1.00 0.00 C ATOM 225 CD LYS A 19 -14.383 -5.406 13.241 1.00 0.00 C ATOM 226 CE LYS A 19 -15.367 -6.258 12.455 1.00 0.00 C ATOM 227 NZ LYS A 19 -16.745 -5.692 12.496 1.00 0.00 N ATOM 0 H LYS A 19 -14.488 -7.804 17.675 1.00 0.00 H new ATOM 0 HA LYS A 19 -15.308 -7.585 14.835 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -14.453 -5.575 16.676 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -13.120 -5.841 15.570 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -15.972 -5.287 14.680 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -14.746 -4.048 14.864 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -14.203 -4.472 12.709 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -13.426 -5.923 13.309 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -15.036 -6.334 11.419 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -15.377 -7.269 12.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -17.243 -5.925 11.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -17.263 -6.096 13.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -16.693 -4.659 12.601 1.00 0.00 H new ATOM 241 N GLN A 20 -13.323 -8.809 14.035 1.00 0.00 N ATOM 242 CA GLN A 20 -12.204 -9.617 13.563 1.00 0.00 C ATOM 243 C GLN A 20 -11.992 -9.430 12.064 1.00 0.00 C ATOM 244 O GLN A 20 -12.497 -10.208 11.254 1.00 0.00 O ATOM 245 CB GLN A 20 -12.445 -11.094 13.876 1.00 0.00 C ATOM 246 CG GLN A 20 -13.766 -11.623 13.339 1.00 0.00 C ATOM 247 CD GLN A 20 -13.592 -12.846 12.461 1.00 0.00 C ATOM 248 OE1 GLN A 20 -13.829 -12.798 11.254 1.00 0.00 O ATOM 249 NE2 GLN A 20 -13.176 -13.954 13.065 1.00 0.00 N ATOM 0 H GLN A 20 -14.085 -8.710 13.364 1.00 0.00 H new ATOM 0 HA GLN A 20 -11.305 -9.286 14.083 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -11.630 -11.683 13.456 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -12.418 -11.237 14.956 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -14.420 -11.871 14.175 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -14.262 -10.838 12.768 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -12.991 -13.949 14.068 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -13.041 -14.809 12.526 1.00 0.00 H new ATOM 258 N LYS A 21 -11.245 -8.393 11.701 1.00 0.00 N ATOM 259 CA LYS A 21 -10.966 -8.104 10.299 1.00 0.00 C ATOM 260 C LYS A 21 -9.775 -7.159 10.165 1.00 0.00 C ATOM 261 O LYS A 21 -9.705 -6.360 9.232 1.00 0.00 O ATOM 262 CB LYS A 21 -12.201 -7.495 9.629 1.00 0.00 C ATOM 263 CG LYS A 21 -12.869 -8.423 8.626 1.00 0.00 C ATOM 264 CD LYS A 21 -13.892 -7.684 7.778 1.00 0.00 C ATOM 265 CE LYS A 21 -15.176 -8.484 7.630 1.00 0.00 C ATOM 266 NZ LYS A 21 -15.108 -9.442 6.493 1.00 0.00 N ATOM 0 H LYS A 21 -10.822 -7.738 12.359 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.717 -9.041 9.800 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -12.924 -7.223 10.398 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.912 -6.574 9.123 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.112 -8.867 7.980 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -13.357 -9.242 9.155 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -14.114 -6.719 8.233 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -13.472 -7.483 6.793 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -15.371 -9.030 8.553 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -16.013 -7.802 7.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -16.003 -9.967 6.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -14.947 -8.920 5.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -14.326 -10.110 6.648 1.00 0.00 H new ATOM 280 N ARG A 22 -8.841 -7.260 11.105 1.00 0.00 N ATOM 281 CA ARG A 22 -7.652 -6.413 11.092 1.00 0.00 C ATOM 282 C ARG A 22 -6.383 -7.261 11.082 1.00 0.00 C ATOM 283 O ARG A 22 -5.392 -6.922 11.730 1.00 0.00 O ATOM 284 CB ARG A 22 -7.649 -5.485 12.307 1.00 0.00 C ATOM 285 CG ARG A 22 -8.408 -4.186 12.081 1.00 0.00 C ATOM 286 CD ARG A 22 -8.622 -3.433 13.383 1.00 0.00 C ATOM 287 NE ARG A 22 -9.437 -4.191 14.328 1.00 0.00 N ATOM 288 CZ ARG A 22 -9.628 -3.835 15.596 1.00 0.00 C ATOM 289 NH1 ARG A 22 -9.065 -2.734 16.075 1.00 0.00 N ATOM 290 NH2 ARG A 22 -10.384 -4.583 16.388 1.00 0.00 N ATOM 0 H ARG A 22 -8.883 -7.918 11.884 1.00 0.00 H new ATOM 0 HA ARG A 22 -7.674 -5.811 10.184 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -8.087 -6.010 13.156 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -6.618 -5.252 12.574 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -7.856 -3.557 11.382 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -9.373 -4.402 11.622 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -7.656 -3.210 13.836 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -9.104 -2.478 13.174 1.00 0.00 H new ATOM 0 HE ARG A 22 -9.887 -5.044 13.997 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -8.482 -2.155 15.471 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -9.215 -2.466 17.048 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -10.819 -5.431 16.025 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -10.530 -4.310 17.360 1.00 0.00 H new ATOM 304 N TYR A 23 -6.420 -8.364 10.340 1.00 0.00 N ATOM 305 CA TYR A 23 -5.274 -9.260 10.244 1.00 0.00 C ATOM 306 C TYR A 23 -4.529 -9.048 8.929 1.00 0.00 C ATOM 307 O TYR A 23 -4.694 -9.815 7.978 1.00 0.00 O ATOM 308 CB TYR A 23 -5.728 -10.717 10.366 1.00 0.00 C ATOM 309 CG TYR A 23 -5.047 -11.472 11.486 1.00 0.00 C ATOM 310 CD1 TYR A 23 -5.056 -10.983 12.785 1.00 0.00 C ATOM 311 CD2 TYR A 23 -4.396 -12.674 11.243 1.00 0.00 C ATOM 312 CE1 TYR A 23 -4.434 -11.670 13.811 1.00 0.00 C ATOM 313 CE2 TYR A 23 -3.772 -13.367 12.262 1.00 0.00 C ATOM 314 CZ TYR A 23 -3.794 -12.860 13.545 1.00 0.00 C ATOM 315 OH TYR A 23 -3.173 -13.548 14.563 1.00 0.00 O ATOM 0 H TYR A 23 -7.232 -8.658 9.797 1.00 0.00 H new ATOM 0 HA TYR A 23 -4.593 -9.033 11.064 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -6.806 -10.741 10.526 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -5.534 -11.229 9.424 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -5.557 -10.050 12.998 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -4.377 -13.074 10.240 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -4.450 -11.275 14.816 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -3.270 -14.301 12.056 1.00 0.00 H new ATOM 0 HH TYR A 23 -2.771 -14.367 14.206 1.00 0.00 H new ATOM 325 N LYS A 24 -3.708 -8.003 8.880 1.00 0.00 N ATOM 326 CA LYS A 24 -2.936 -7.688 7.681 1.00 0.00 C ATOM 327 C LYS A 24 -3.855 -7.480 6.482 1.00 0.00 C ATOM 328 O LYS A 24 -3.509 -7.832 5.354 1.00 0.00 O ATOM 329 CB LYS A 24 -1.935 -8.807 7.384 1.00 0.00 C ATOM 330 CG LYS A 24 -0.771 -8.363 6.515 1.00 0.00 C ATOM 331 CD LYS A 24 -0.139 -9.540 5.787 1.00 0.00 C ATOM 332 CE LYS A 24 0.636 -9.084 4.562 1.00 0.00 C ATOM 333 NZ LYS A 24 1.475 -10.178 3.996 1.00 0.00 N ATOM 0 H LYS A 24 -3.560 -7.359 9.657 1.00 0.00 H new ATOM 0 HA LYS A 24 -2.391 -6.762 7.863 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -1.548 -9.197 8.325 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.455 -9.627 6.890 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.117 -7.628 5.789 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.021 -7.871 7.134 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.529 -10.072 6.464 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.916 -10.243 5.487 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.061 -8.731 3.802 1.00 0.00 H new ATOM 0 HE3 LYS A 24 1.272 -8.240 4.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 1.987 -9.826 3.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 2.158 -10.498 4.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.866 -10.974 3.718 1.00 0.00 H new ATOM 347 N PHE A 25 -5.024 -6.901 6.732 1.00 0.00 N ATOM 348 CA PHE A 25 -5.993 -6.642 5.673 1.00 0.00 C ATOM 349 C PHE A 25 -5.397 -5.748 4.596 1.00 0.00 C ATOM 350 O PHE A 25 -4.480 -4.973 4.861 1.00 0.00 O ATOM 351 CB PHE A 25 -7.255 -5.998 6.252 1.00 0.00 C ATOM 352 CG PHE A 25 -8.461 -6.145 5.370 1.00 0.00 C ATOM 353 CD1 PHE A 25 -9.142 -7.349 5.301 1.00 0.00 C ATOM 354 CD2 PHE A 25 -8.914 -5.078 4.610 1.00 0.00 C ATOM 355 CE1 PHE A 25 -10.254 -7.487 4.490 1.00 0.00 C ATOM 356 CE2 PHE A 25 -10.024 -5.209 3.798 1.00 0.00 C ATOM 357 CZ PHE A 25 -10.694 -6.415 3.736 1.00 0.00 C ATOM 0 H PHE A 25 -5.324 -6.602 7.660 1.00 0.00 H new ATOM 0 HA PHE A 25 -6.259 -7.596 5.218 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -7.468 -6.445 7.223 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -7.067 -4.938 6.423 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -8.801 -8.190 5.887 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -8.393 -4.133 4.653 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -10.778 -8.431 4.446 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -10.367 -4.369 3.212 1.00 0.00 H new ATOM 0 HZ PHE A 25 -11.560 -6.521 3.100 1.00 0.00 H new ATOM 367 N SER A 26 -5.933 -5.850 3.380 1.00 0.00 N ATOM 368 CA SER A 26 -5.458 -5.034 2.267 1.00 0.00 C ATOM 369 C SER A 26 -5.913 -3.592 2.462 1.00 0.00 C ATOM 370 O SER A 26 -6.562 -3.004 1.598 1.00 0.00 O ATOM 371 CB SER A 26 -5.984 -5.577 0.937 1.00 0.00 C ATOM 372 OG SER A 26 -5.939 -6.993 0.911 1.00 0.00 O ATOM 0 H SER A 26 -6.693 -6.487 3.143 1.00 0.00 H new ATOM 0 HA SER A 26 -4.369 -5.070 2.243 1.00 0.00 H new ATOM 0 HB2 SER A 26 -7.009 -5.240 0.783 1.00 0.00 H new ATOM 0 HB3 SER A 26 -5.389 -5.176 0.116 1.00 0.00 H new ATOM 0 HG SER A 26 -6.282 -7.315 0.051 1.00 0.00 H new ATOM 378 N ALA A 27 -5.573 -3.045 3.624 1.00 0.00 N ATOM 379 CA ALA A 27 -5.934 -1.691 4.001 1.00 0.00 C ATOM 380 C ALA A 27 -5.773 -1.508 5.507 1.00 0.00 C ATOM 381 O ALA A 27 -5.577 -0.393 5.988 1.00 0.00 O ATOM 382 CB ALA A 27 -7.364 -1.382 3.588 1.00 0.00 C ATOM 0 H ALA A 27 -5.033 -3.538 4.335 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.269 -0.999 3.484 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.615 -0.362 3.880 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.461 -1.484 2.507 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.043 -2.078 4.081 1.00 0.00 H new ATOM 388 N SER A 28 -5.852 -2.617 6.252 1.00 0.00 N ATOM 389 CA SER A 28 -5.711 -2.570 7.703 1.00 0.00 C ATOM 390 C SER A 28 -4.385 -1.926 8.106 1.00 0.00 C ATOM 391 O SER A 28 -4.247 -1.413 9.217 1.00 0.00 O ATOM 392 CB SER A 28 -5.804 -3.978 8.293 1.00 0.00 C ATOM 393 OG SER A 28 -5.331 -4.005 9.628 1.00 0.00 O ATOM 0 H SER A 28 -6.012 -3.550 5.872 1.00 0.00 H new ATOM 0 HA SER A 28 -6.524 -1.961 8.098 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.839 -4.320 8.264 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.222 -4.670 7.684 1.00 0.00 H new ATOM 0 HG SER A 28 -5.403 -4.916 9.982 1.00 0.00 H new ATOM 399 N GLU A 29 -3.413 -1.957 7.197 1.00 0.00 N ATOM 400 CA GLU A 29 -2.101 -1.376 7.460 1.00 0.00 C ATOM 401 C GLU A 29 -2.226 0.080 7.901 1.00 0.00 C ATOM 402 O GLU A 29 -1.656 0.483 8.916 1.00 0.00 O ATOM 403 CB GLU A 29 -1.220 -1.467 6.211 1.00 0.00 C ATOM 404 CG GLU A 29 -1.156 -2.862 5.611 1.00 0.00 C ATOM 405 CD GLU A 29 -1.293 -2.856 4.102 1.00 0.00 C ATOM 406 OE1 GLU A 29 -1.043 -1.797 3.487 1.00 0.00 O ATOM 407 OE2 GLU A 29 -1.651 -3.909 3.534 1.00 0.00 O ATOM 0 H GLU A 29 -3.510 -2.378 6.273 1.00 0.00 H new ATOM 0 HA GLU A 29 -1.637 -1.943 8.268 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -1.598 -0.774 5.459 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.211 -1.143 6.464 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -0.209 -3.327 5.884 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -1.948 -3.475 6.041 1.00 0.00 H new ATOM 414 N ASP A 30 -2.978 0.863 7.134 1.00 0.00 N ATOM 415 CA ASP A 30 -3.180 2.274 7.447 1.00 0.00 C ATOM 416 C ASP A 30 -3.750 2.438 8.853 1.00 0.00 C ATOM 417 O ASP A 30 -3.469 3.423 9.536 1.00 0.00 O ATOM 418 CB ASP A 30 -4.114 2.918 6.421 1.00 0.00 C ATOM 419 CG ASP A 30 -3.381 3.856 5.481 1.00 0.00 C ATOM 420 OD1 ASP A 30 -3.164 5.025 5.860 1.00 0.00 O ATOM 421 OD2 ASP A 30 -3.025 3.418 4.366 1.00 0.00 O ATOM 0 H ASP A 30 -3.457 0.545 6.292 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.213 2.775 7.406 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.605 2.137 5.841 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.897 3.469 6.942 1.00 0.00 H new ATOM 426 N GLU A 31 -4.544 1.463 9.279 1.00 0.00 N ATOM 427 CA GLU A 31 -5.145 1.495 10.605 1.00 0.00 C ATOM 428 C GLU A 31 -4.083 1.274 11.677 1.00 0.00 C ATOM 429 O GLU A 31 -4.174 1.813 12.782 1.00 0.00 O ATOM 430 CB GLU A 31 -6.236 0.429 10.720 1.00 0.00 C ATOM 431 CG GLU A 31 -7.274 0.500 9.612 1.00 0.00 C ATOM 432 CD GLU A 31 -8.418 -0.473 9.823 1.00 0.00 C ATOM 433 OE1 GLU A 31 -8.204 -1.690 9.639 1.00 0.00 O ATOM 434 OE2 GLU A 31 -9.528 -0.018 10.171 1.00 0.00 O ATOM 0 H GLU A 31 -4.786 0.641 8.725 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.595 2.476 10.756 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.772 -0.557 10.709 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -6.736 0.535 11.683 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.670 1.514 9.554 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.795 0.290 8.656 1.00 0.00 H new ATOM 441 N ALA A 32 -3.074 0.479 11.339 1.00 0.00 N ATOM 442 CA ALA A 32 -1.993 0.185 12.269 1.00 0.00 C ATOM 443 C ALA A 32 -1.079 1.390 12.449 1.00 0.00 C ATOM 444 O ALA A 32 -0.529 1.603 13.530 1.00 0.00 O ATOM 445 CB ALA A 32 -1.198 -1.021 11.794 1.00 0.00 C ATOM 0 H ALA A 32 -2.983 0.028 10.429 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.435 -0.048 13.238 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -0.394 -1.228 12.500 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -1.856 -1.888 11.729 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -0.774 -0.813 10.812 1.00 0.00 H new ATOM 451 N ILE A 33 -0.921 2.180 11.394 1.00 0.00 N ATOM 452 CA ILE A 33 -0.073 3.363 11.467 1.00 0.00 C ATOM 453 C ILE A 33 -0.752 4.457 12.269 1.00 0.00 C ATOM 454 O ILE A 33 -0.109 5.154 13.052 1.00 0.00 O ATOM 455 CB ILE A 33 0.286 3.938 10.081 1.00 0.00 C ATOM 456 CG1 ILE A 33 0.540 2.824 9.069 1.00 0.00 C ATOM 457 CG2 ILE A 33 1.507 4.837 10.197 1.00 0.00 C ATOM 458 CD1 ILE A 33 0.342 3.263 7.634 1.00 0.00 C ATOM 0 H ILE A 33 -1.363 2.026 10.488 1.00 0.00 H new ATOM 0 HA ILE A 33 0.847 3.037 11.952 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.560 4.525 9.723 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.559 2.456 9.192 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.128 1.990 9.282 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.756 5.240 9.216 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.291 5.657 10.882 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.350 4.259 10.576 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.538 2.424 6.966 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.684 3.604 7.496 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.029 4.078 7.405 1.00 0.00 H new ATOM 470 N ILE A 34 -2.055 4.606 12.070 1.00 0.00 N ATOM 471 CA ILE A 34 -2.808 5.622 12.783 1.00 0.00 C ATOM 472 C ILE A 34 -2.811 5.337 14.278 1.00 0.00 C ATOM 473 O ILE A 34 -2.661 6.248 15.094 1.00 0.00 O ATOM 474 CB ILE A 34 -4.258 5.737 12.277 1.00 0.00 C ATOM 475 CG1 ILE A 34 -4.957 4.381 12.334 1.00 0.00 C ATOM 476 CG2 ILE A 34 -4.282 6.291 10.860 1.00 0.00 C ATOM 477 CD1 ILE A 34 -6.424 4.441 11.966 1.00 0.00 C ATOM 0 H ILE A 34 -2.607 4.040 11.425 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.311 6.573 12.593 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.796 6.426 12.928 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.450 3.691 11.660 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.859 3.973 13.340 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.314 6.366 10.516 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.822 7.279 10.848 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.727 5.625 10.199 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.856 3.442 12.028 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -6.945 5.105 12.655 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.529 4.819 10.949 1.00 0.00 H new ATOM 489 N LYS A 35 -2.967 4.065 14.636 1.00 0.00 N ATOM 490 CA LYS A 35 -2.969 3.680 16.042 1.00 0.00 C ATOM 491 C LYS A 35 -1.593 3.921 16.643 1.00 0.00 C ATOM 492 O LYS A 35 -1.464 4.459 17.745 1.00 0.00 O ATOM 493 CB LYS A 35 -3.373 2.211 16.197 1.00 0.00 C ATOM 494 CG LYS A 35 -4.698 2.019 16.916 1.00 0.00 C ATOM 495 CD LYS A 35 -5.440 0.799 16.400 1.00 0.00 C ATOM 496 CE LYS A 35 -4.892 -0.484 17.003 1.00 0.00 C ATOM 497 NZ LYS A 35 -5.885 -1.592 16.949 1.00 0.00 N ATOM 0 H LYS A 35 -3.092 3.293 13.981 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.699 4.290 16.574 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.435 1.753 15.210 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.592 1.683 16.744 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -4.520 1.912 17.986 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -5.317 2.906 16.783 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -6.500 0.890 16.637 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -5.359 0.755 15.314 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.989 -0.779 16.469 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.605 -0.304 18.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.472 -2.449 17.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -6.737 -1.321 17.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -6.140 -1.781 15.959 1.00 0.00 H new ATOM 511 N GLY A 36 -0.565 3.533 15.901 1.00 0.00 N ATOM 512 CA GLY A 36 0.793 3.731 16.362 1.00 0.00 C ATOM 513 C GLY A 36 1.116 5.200 16.527 1.00 0.00 C ATOM 514 O GLY A 36 1.630 5.620 17.561 1.00 0.00 O ATOM 0 H GLY A 36 -0.648 3.085 14.988 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.933 3.218 17.313 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.488 3.282 15.652 1.00 0.00 H new ATOM 518 N LEU A 37 0.794 5.985 15.503 1.00 0.00 N ATOM 519 CA LEU A 37 1.038 7.421 15.530 1.00 0.00 C ATOM 520 C LEU A 37 0.389 8.052 16.756 1.00 0.00 C ATOM 521 O LEU A 37 0.928 8.992 17.341 1.00 0.00 O ATOM 522 CB LEU A 37 0.498 8.076 14.254 1.00 0.00 C ATOM 523 CG LEU A 37 1.525 8.875 13.449 1.00 0.00 C ATOM 524 CD1 LEU A 37 2.241 7.975 12.454 1.00 0.00 C ATOM 525 CD2 LEU A 37 0.852 10.035 12.731 1.00 0.00 C ATOM 0 H LEU A 37 0.362 5.648 14.642 1.00 0.00 H new ATOM 0 HA LEU A 37 2.114 7.585 15.583 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.083 7.298 13.613 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.324 8.739 14.524 1.00 0.00 H new ATOM 0 HG LEU A 37 2.265 9.280 14.140 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.967 8.561 11.891 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.755 7.177 12.990 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.514 7.541 11.767 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.597 10.593 12.163 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.091 9.650 12.052 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.385 10.694 13.463 1.00 0.00 H new ATOM 537 N ALA A 38 -0.770 7.528 17.142 1.00 0.00 N ATOM 538 CA ALA A 38 -1.487 8.042 18.302 1.00 0.00 C ATOM 539 C ALA A 38 -0.706 7.783 19.585 1.00 0.00 C ATOM 540 O ALA A 38 -0.801 8.549 20.545 1.00 0.00 O ATOM 541 CB ALA A 38 -2.872 7.418 18.385 1.00 0.00 C ATOM 0 H ALA A 38 -1.231 6.750 16.670 1.00 0.00 H new ATOM 0 HA ALA A 38 -1.596 9.120 18.186 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.396 7.811 19.256 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.435 7.660 17.483 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -2.779 6.336 18.475 1.00 0.00 H new ATOM 547 N ARG A 39 0.065 6.698 19.601 1.00 0.00 N ATOM 548 CA ARG A 39 0.858 6.343 20.775 1.00 0.00 C ATOM 549 C ARG A 39 2.357 6.378 20.471 1.00 0.00 C ATOM 550 O ARG A 39 3.157 5.796 21.202 1.00 0.00 O ATOM 551 CB ARG A 39 0.459 4.956 21.283 1.00 0.00 C ATOM 552 CG ARG A 39 0.173 4.916 22.775 1.00 0.00 C ATOM 553 CD ARG A 39 0.255 3.501 23.321 1.00 0.00 C ATOM 554 NE ARG A 39 -0.619 2.581 22.596 1.00 0.00 N ATOM 555 CZ ARG A 39 -1.022 1.408 23.078 1.00 0.00 C ATOM 556 NH1 ARG A 39 -0.631 1.004 24.280 1.00 0.00 N ATOM 557 NH2 ARG A 39 -1.818 0.633 22.352 1.00 0.00 N ATOM 0 H ARG A 39 0.157 6.052 18.817 1.00 0.00 H new ATOM 0 HA ARG A 39 0.655 7.083 21.549 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -0.426 4.621 20.742 1.00 0.00 H new ATOM 0 HB3 ARG A 39 1.258 4.251 21.055 1.00 0.00 H new ATOM 0 HG2 ARG A 39 0.886 5.551 23.300 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -0.819 5.324 22.967 1.00 0.00 H new ATOM 0 HD2 ARG A 39 1.284 3.148 23.258 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.018 3.504 24.376 1.00 0.00 H new ATOM 0 HE ARG A 39 -0.939 2.854 21.667 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -0.017 1.594 24.842 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -0.944 0.103 24.642 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.120 0.937 21.426 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -2.128 -0.266 22.720 1.00 0.00 H new ATOM 571 N PHE A 40 2.734 7.065 19.396 1.00 0.00 N ATOM 572 CA PHE A 40 4.139 7.172 19.012 1.00 0.00 C ATOM 573 C PHE A 40 4.411 8.500 18.313 1.00 0.00 C ATOM 574 O PHE A 40 4.032 8.696 17.160 1.00 0.00 O ATOM 575 CB PHE A 40 4.538 6.012 18.097 1.00 0.00 C ATOM 576 CG PHE A 40 4.740 4.713 18.822 1.00 0.00 C ATOM 577 CD1 PHE A 40 3.655 3.960 19.241 1.00 0.00 C ATOM 578 CD2 PHE A 40 6.018 4.245 19.086 1.00 0.00 C ATOM 579 CE1 PHE A 40 3.839 2.765 19.908 1.00 0.00 C ATOM 580 CE2 PHE A 40 6.208 3.049 19.754 1.00 0.00 C ATOM 581 CZ PHE A 40 5.119 2.308 20.165 1.00 0.00 C ATOM 0 H PHE A 40 2.088 7.555 18.777 1.00 0.00 H new ATOM 0 HA PHE A 40 4.738 7.127 19.921 1.00 0.00 H new ATOM 0 HB2 PHE A 40 3.767 5.878 17.338 1.00 0.00 H new ATOM 0 HB3 PHE A 40 5.458 6.273 17.574 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.653 4.312 19.044 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.874 4.820 18.767 1.00 0.00 H new ATOM 0 HE1 PHE A 40 2.984 2.188 20.229 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.209 2.695 19.954 1.00 0.00 H new ATOM 0 HZ PHE A 40 5.266 1.373 20.686 1.00 0.00 H new ATOM 591 N THR A 41 5.075 9.408 19.022 1.00 0.00 N ATOM 592 CA THR A 41 5.402 10.718 18.471 1.00 0.00 C ATOM 593 C THR A 41 6.491 11.396 19.298 1.00 0.00 C ATOM 594 O THR A 41 6.211 12.295 20.093 1.00 0.00 O ATOM 595 CB THR A 41 4.154 11.600 18.424 1.00 0.00 C ATOM 596 OG1 THR A 41 3.359 11.410 19.581 1.00 0.00 O ATOM 597 CG2 THR A 41 3.278 11.335 17.218 1.00 0.00 C ATOM 0 H THR A 41 5.397 9.260 19.979 1.00 0.00 H new ATOM 0 HA THR A 41 5.775 10.578 17.457 1.00 0.00 H new ATOM 0 HB THR A 41 4.527 12.622 18.365 1.00 0.00 H new ATOM 0 HG1 THR A 41 2.567 11.985 19.532 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.410 11.994 17.247 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.846 11.523 16.307 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.945 10.297 17.231 1.00 0.00 H new ATOM 605 N LYS A 42 7.729 10.957 19.108 1.00 0.00 N ATOM 606 CA LYS A 42 8.860 11.519 19.838 1.00 0.00 C ATOM 607 C LYS A 42 9.945 12.002 18.879 1.00 0.00 C ATOM 608 O LYS A 42 11.133 11.768 19.103 1.00 0.00 O ATOM 609 CB LYS A 42 9.439 10.479 20.800 1.00 0.00 C ATOM 610 CG LYS A 42 8.381 9.705 21.569 1.00 0.00 C ATOM 611 CD LYS A 42 7.755 10.553 22.663 1.00 0.00 C ATOM 612 CE LYS A 42 8.476 10.372 23.989 1.00 0.00 C ATOM 613 NZ LYS A 42 7.560 10.552 25.150 1.00 0.00 N ATOM 0 H LYS A 42 7.976 10.214 18.455 1.00 0.00 H new ATOM 0 HA LYS A 42 8.501 12.375 20.410 1.00 0.00 H new ATOM 0 HB2 LYS A 42 10.053 9.777 20.236 1.00 0.00 H new ATOM 0 HB3 LYS A 42 10.098 10.980 21.509 1.00 0.00 H new ATOM 0 HG2 LYS A 42 7.606 9.366 20.882 1.00 0.00 H new ATOM 0 HG3 LYS A 42 8.829 8.814 22.009 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.784 11.603 22.372 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.705 10.283 22.778 1.00 0.00 H new ATOM 0 HE2 LYS A 42 8.920 9.377 24.028 1.00 0.00 H new ATOM 0 HE3 LYS A 42 9.294 11.089 24.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 8.091 10.420 26.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 7.156 11.510 25.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 6.793 9.851 25.099 1.00 0.00 H new ATOM 627 N GLY A 43 9.530 12.675 17.811 1.00 0.00 N ATOM 628 CA GLY A 43 10.481 13.178 16.839 1.00 0.00 C ATOM 629 C GLY A 43 9.809 13.675 15.574 1.00 0.00 C ATOM 630 O GLY A 43 8.581 13.730 15.494 1.00 0.00 O ATOM 0 H GLY A 43 8.553 12.881 17.602 1.00 0.00 H new ATOM 0 HA2 GLY A 43 11.056 13.990 17.284 1.00 0.00 H new ATOM 0 HA3 GLY A 43 11.188 12.388 16.585 1.00 0.00 H new ATOM 634 N GLN A 44 10.615 14.040 14.583 1.00 0.00 N ATOM 635 CA GLN A 44 10.093 14.536 13.315 1.00 0.00 C ATOM 636 C GLN A 44 10.075 13.429 12.263 1.00 0.00 C ATOM 637 O GLN A 44 10.220 13.691 11.070 1.00 0.00 O ATOM 638 CB GLN A 44 10.934 15.713 12.818 1.00 0.00 C ATOM 639 CG GLN A 44 10.573 17.037 13.472 1.00 0.00 C ATOM 640 CD GLN A 44 9.756 17.934 12.563 1.00 0.00 C ATOM 641 OE1 GLN A 44 8.526 17.882 12.561 1.00 0.00 O ATOM 642 NE2 GLN A 44 10.439 18.764 11.782 1.00 0.00 N ATOM 0 H GLN A 44 11.633 14.002 14.633 1.00 0.00 H new ATOM 0 HA GLN A 44 9.070 14.873 13.480 1.00 0.00 H new ATOM 0 HB2 GLN A 44 11.987 15.501 13.004 1.00 0.00 H new ATOM 0 HB3 GLN A 44 10.813 15.805 11.739 1.00 0.00 H new ATOM 0 HG2 GLN A 44 10.012 16.845 14.386 1.00 0.00 H new ATOM 0 HG3 GLN A 44 11.487 17.556 13.762 1.00 0.00 H new ATOM 0 HE21 GLN A 44 11.458 18.774 11.816 1.00 0.00 H new ATOM 0 HE22 GLN A 44 9.944 19.391 11.148 1.00 0.00 H new ATOM 651 N GLN A 45 9.897 12.193 12.717 1.00 0.00 N ATOM 652 CA GLN A 45 9.860 11.046 11.818 1.00 0.00 C ATOM 653 C GLN A 45 8.994 9.932 12.399 1.00 0.00 C ATOM 654 O GLN A 45 9.331 8.752 12.299 1.00 0.00 O ATOM 655 CB GLN A 45 11.275 10.528 11.561 1.00 0.00 C ATOM 656 CG GLN A 45 12.106 10.372 12.824 1.00 0.00 C ATOM 657 CD GLN A 45 11.709 9.153 13.635 1.00 0.00 C ATOM 658 OE1 GLN A 45 11.758 8.024 13.146 1.00 0.00 O ATOM 659 NE2 GLN A 45 11.314 9.376 14.884 1.00 0.00 N ATOM 0 H GLN A 45 9.776 11.960 13.703 1.00 0.00 H new ATOM 0 HA GLN A 45 9.423 11.368 10.873 1.00 0.00 H new ATOM 0 HB2 GLN A 45 11.214 9.564 11.055 1.00 0.00 H new ATOM 0 HB3 GLN A 45 11.785 11.212 10.883 1.00 0.00 H new ATOM 0 HG2 GLN A 45 13.160 10.298 12.555 1.00 0.00 H new ATOM 0 HG3 GLN A 45 11.997 11.265 13.439 1.00 0.00 H new ATOM 0 HE21 GLN A 45 11.289 10.328 15.249 1.00 0.00 H new ATOM 0 HE22 GLN A 45 11.036 8.595 15.478 1.00 0.00 H new ATOM 668 N ARG A 46 7.877 10.316 13.009 1.00 0.00 N ATOM 669 CA ARG A 46 6.963 9.353 13.609 1.00 0.00 C ATOM 670 C ARG A 46 6.459 8.351 12.575 1.00 0.00 C ATOM 671 O ARG A 46 6.135 7.214 12.911 1.00 0.00 O ATOM 672 CB ARG A 46 5.780 10.077 14.254 1.00 0.00 C ATOM 673 CG ARG A 46 5.109 11.085 13.334 1.00 0.00 C ATOM 674 CD ARG A 46 5.428 12.514 13.744 1.00 0.00 C ATOM 675 NE ARG A 46 4.354 13.108 14.538 1.00 0.00 N ATOM 676 CZ ARG A 46 4.283 14.402 14.837 1.00 0.00 C ATOM 677 NH1 ARG A 46 5.220 15.241 14.411 1.00 0.00 N ATOM 678 NH2 ARG A 46 3.272 14.860 15.565 1.00 0.00 N ATOM 0 H ARG A 46 7.584 11.289 13.100 1.00 0.00 H new ATOM 0 HA ARG A 46 7.510 8.805 14.376 1.00 0.00 H new ATOM 0 HB2 ARG A 46 5.042 9.340 14.571 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.124 10.590 15.152 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.438 10.918 12.308 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.030 10.933 13.352 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.354 12.528 14.319 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.597 13.118 12.852 1.00 0.00 H new ATOM 0 HE ARG A 46 3.616 12.494 14.883 1.00 0.00 H new ATOM 0 HH11 ARG A 46 5.999 14.894 13.852 1.00 0.00 H new ATOM 0 HH12 ARG A 46 5.161 16.232 14.643 1.00 0.00 H new ATOM 0 HH21 ARG A 46 2.550 14.220 15.895 1.00 0.00 H new ATOM 0 HH22 ARG A 46 3.217 15.852 15.795 1.00 0.00 H new ATOM 692 N PHE A 47 6.388 8.781 11.318 1.00 0.00 N ATOM 693 CA PHE A 47 5.917 7.917 10.241 1.00 0.00 C ATOM 694 C PHE A 47 6.824 6.704 10.071 1.00 0.00 C ATOM 695 O PHE A 47 6.358 5.566 10.024 1.00 0.00 O ATOM 696 CB PHE A 47 5.850 8.693 8.926 1.00 0.00 C ATOM 697 CG PHE A 47 4.912 9.866 8.963 1.00 0.00 C ATOM 698 CD1 PHE A 47 5.330 11.088 9.463 1.00 0.00 C ATOM 699 CD2 PHE A 47 3.613 9.744 8.498 1.00 0.00 C ATOM 700 CE1 PHE A 47 4.469 12.169 9.497 1.00 0.00 C ATOM 701 CE2 PHE A 47 2.748 10.821 8.530 1.00 0.00 C ATOM 702 CZ PHE A 47 3.176 12.036 9.030 1.00 0.00 C ATOM 0 H PHE A 47 6.650 9.721 11.021 1.00 0.00 H new ATOM 0 HA PHE A 47 4.919 7.570 10.508 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.849 9.046 8.672 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.539 8.016 8.130 1.00 0.00 H new ATOM 0 HD1 PHE A 47 6.340 11.198 9.830 1.00 0.00 H new ATOM 0 HD2 PHE A 47 3.273 8.797 8.106 1.00 0.00 H new ATOM 0 HE1 PHE A 47 4.807 13.117 9.889 1.00 0.00 H new ATOM 0 HE2 PHE A 47 1.738 10.713 8.164 1.00 0.00 H new ATOM 0 HZ PHE A 47 2.501 12.879 9.056 1.00 0.00 H new ATOM 712 N GLN A 48 8.123 6.954 9.973 1.00 0.00 N ATOM 713 CA GLN A 48 9.091 5.880 9.807 1.00 0.00 C ATOM 714 C GLN A 48 9.220 5.063 11.090 1.00 0.00 C ATOM 715 O GLN A 48 9.216 3.832 11.059 1.00 0.00 O ATOM 716 CB GLN A 48 10.454 6.449 9.409 1.00 0.00 C ATOM 717 CG GLN A 48 11.175 5.623 8.356 1.00 0.00 C ATOM 718 CD GLN A 48 12.651 5.960 8.262 1.00 0.00 C ATOM 719 OE1 GLN A 48 13.117 6.474 7.245 1.00 0.00 O ATOM 720 NE2 GLN A 48 13.392 5.669 9.323 1.00 0.00 N ATOM 0 H GLN A 48 8.529 7.889 10.006 1.00 0.00 H new ATOM 0 HA GLN A 48 8.736 5.223 9.013 1.00 0.00 H new ATOM 0 HB2 GLN A 48 10.319 7.463 9.033 1.00 0.00 H new ATOM 0 HB3 GLN A 48 11.082 6.519 10.297 1.00 0.00 H new ATOM 0 HG2 GLN A 48 11.062 4.564 8.589 1.00 0.00 H new ATOM 0 HG3 GLN A 48 10.706 5.788 7.386 1.00 0.00 H new ATOM 0 HE21 GLN A 48 12.962 5.243 10.144 1.00 0.00 H new ATOM 0 HE22 GLN A 48 14.392 5.871 9.318 1.00 0.00 H new ATOM 729 N GLN A 49 9.336 5.760 12.217 1.00 0.00 N ATOM 730 CA GLN A 49 9.470 5.102 13.512 1.00 0.00 C ATOM 731 C GLN A 49 8.267 4.208 13.797 1.00 0.00 C ATOM 732 O GLN A 49 8.422 3.037 14.143 1.00 0.00 O ATOM 733 CB GLN A 49 9.621 6.145 14.622 1.00 0.00 C ATOM 734 CG GLN A 49 10.608 5.740 15.706 1.00 0.00 C ATOM 735 CD GLN A 49 12.030 5.646 15.191 1.00 0.00 C ATOM 736 OE1 GLN A 49 12.782 6.620 15.229 1.00 0.00 O ATOM 737 NE2 GLN A 49 12.407 4.468 14.707 1.00 0.00 N ATOM 0 H GLN A 49 9.340 6.779 12.259 1.00 0.00 H new ATOM 0 HA GLN A 49 10.363 4.478 13.484 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.944 7.088 14.182 1.00 0.00 H new ATOM 0 HB3 GLN A 49 8.647 6.323 15.077 1.00 0.00 H new ATOM 0 HG2 GLN A 49 10.567 6.465 16.519 1.00 0.00 H new ATOM 0 HG3 GLN A 49 10.311 4.777 16.122 1.00 0.00 H new ATOM 0 HE21 GLN A 49 11.750 3.688 14.695 1.00 0.00 H new ATOM 0 HE22 GLN A 49 13.353 4.344 14.347 1.00 0.00 H new ATOM 746 N ILE A 50 7.069 4.763 13.643 1.00 0.00 N ATOM 747 CA ILE A 50 5.847 4.005 13.878 1.00 0.00 C ATOM 748 C ILE A 50 5.770 2.813 12.933 1.00 0.00 C ATOM 749 O ILE A 50 5.323 1.730 13.311 1.00 0.00 O ATOM 750 CB ILE A 50 4.588 4.888 13.711 1.00 0.00 C ATOM 751 CG1 ILE A 50 3.382 4.223 14.378 1.00 0.00 C ATOM 752 CG2 ILE A 50 4.306 5.167 12.240 1.00 0.00 C ATOM 753 CD1 ILE A 50 2.886 2.986 13.658 1.00 0.00 C ATOM 0 H ILE A 50 6.919 5.731 13.358 1.00 0.00 H new ATOM 0 HA ILE A 50 5.877 3.648 14.907 1.00 0.00 H new ATOM 0 HB ILE A 50 4.773 5.844 14.201 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.647 3.954 15.400 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.569 4.946 14.439 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.416 5.790 12.152 1.00 0.00 H new ATOM 0 HG22 ILE A 50 5.157 5.686 11.798 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.143 4.225 11.716 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.030 2.573 14.192 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.588 3.251 12.644 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.683 2.243 13.620 1.00 0.00 H new ATOM 765 N TYR A 51 6.213 3.027 11.699 1.00 0.00 N ATOM 766 CA TYR A 51 6.206 1.979 10.686 1.00 0.00 C ATOM 767 C TYR A 51 6.933 0.735 11.182 1.00 0.00 C ATOM 768 O TYR A 51 6.406 -0.377 11.116 1.00 0.00 O ATOM 769 CB TYR A 51 6.856 2.492 9.400 1.00 0.00 C ATOM 770 CG TYR A 51 6.963 1.451 8.310 1.00 0.00 C ATOM 771 CD1 TYR A 51 5.891 0.625 8.000 1.00 0.00 C ATOM 772 CD2 TYR A 51 8.140 1.295 7.591 1.00 0.00 C ATOM 773 CE1 TYR A 51 5.988 -0.326 7.004 1.00 0.00 C ATOM 774 CE2 TYR A 51 8.246 0.347 6.594 1.00 0.00 C ATOM 775 CZ TYR A 51 7.167 -0.462 6.304 1.00 0.00 C ATOM 776 OH TYR A 51 7.267 -1.407 5.311 1.00 0.00 O ATOM 0 H TYR A 51 6.583 3.921 11.376 1.00 0.00 H new ATOM 0 HA TYR A 51 5.171 1.707 10.481 1.00 0.00 H new ATOM 0 HB2 TYR A 51 6.279 3.338 9.026 1.00 0.00 H new ATOM 0 HB3 TYR A 51 7.854 2.864 9.632 1.00 0.00 H new ATOM 0 HD1 TYR A 51 4.966 0.728 8.547 1.00 0.00 H new ATOM 0 HD2 TYR A 51 8.987 1.926 7.816 1.00 0.00 H new ATOM 0 HE1 TYR A 51 5.144 -0.960 6.775 1.00 0.00 H new ATOM 0 HE2 TYR A 51 9.169 0.239 6.044 1.00 0.00 H new ATOM 0 HH TYR A 51 7.588 -2.250 5.693 1.00 0.00 H new ATOM 786 N TYR A 52 8.144 0.933 11.679 1.00 0.00 N ATOM 787 CA TYR A 52 8.951 -0.168 12.189 1.00 0.00 C ATOM 788 C TYR A 52 8.347 -0.748 13.462 1.00 0.00 C ATOM 789 O TYR A 52 8.515 -1.932 13.754 1.00 0.00 O ATOM 790 CB TYR A 52 10.382 0.301 12.458 1.00 0.00 C ATOM 791 CG TYR A 52 11.142 0.676 11.205 1.00 0.00 C ATOM 792 CD1 TYR A 52 11.497 -0.287 10.270 1.00 0.00 C ATOM 793 CD2 TYR A 52 11.504 1.995 10.959 1.00 0.00 C ATOM 794 CE1 TYR A 52 12.191 0.052 9.123 1.00 0.00 C ATOM 795 CE2 TYR A 52 12.197 2.343 9.816 1.00 0.00 C ATOM 796 CZ TYR A 52 12.538 1.367 8.902 1.00 0.00 C ATOM 797 OH TYR A 52 13.230 1.710 7.763 1.00 0.00 O ATOM 0 H TYR A 52 8.592 1.847 11.741 1.00 0.00 H new ATOM 0 HA TYR A 52 8.968 -0.950 11.430 1.00 0.00 H new ATOM 0 HB2 TYR A 52 10.354 1.161 13.127 1.00 0.00 H new ATOM 0 HB3 TYR A 52 10.923 -0.490 12.978 1.00 0.00 H new ATOM 0 HD1 TYR A 52 11.227 -1.318 10.441 1.00 0.00 H new ATOM 0 HD2 TYR A 52 11.239 2.761 11.673 1.00 0.00 H new ATOM 0 HE1 TYR A 52 12.459 -0.709 8.405 1.00 0.00 H new ATOM 0 HE2 TYR A 52 12.470 3.373 9.639 1.00 0.00 H new ATOM 0 HH TYR A 52 13.187 0.972 7.119 1.00 0.00 H new ATOM 807 N ALA A 53 7.644 0.086 14.221 1.00 0.00 N ATOM 808 CA ALA A 53 7.023 -0.365 15.459 1.00 0.00 C ATOM 809 C ALA A 53 5.875 -1.325 15.178 1.00 0.00 C ATOM 810 O ALA A 53 5.830 -2.430 15.715 1.00 0.00 O ATOM 811 CB ALA A 53 6.533 0.826 16.269 1.00 0.00 C ATOM 0 H ALA A 53 7.491 1.070 14.002 1.00 0.00 H new ATOM 0 HA ALA A 53 7.775 -0.899 16.040 1.00 0.00 H new ATOM 0 HB1 ALA A 53 6.071 0.474 17.191 1.00 0.00 H new ATOM 0 HB2 ALA A 53 7.376 1.474 16.510 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.800 1.385 15.687 1.00 0.00 H new ATOM 817 N TYR A 54 4.954 -0.896 14.322 1.00 0.00 N ATOM 818 CA TYR A 54 3.808 -1.723 13.958 1.00 0.00 C ATOM 819 C TYR A 54 4.179 -2.783 12.914 1.00 0.00 C ATOM 820 O TYR A 54 3.308 -3.492 12.410 1.00 0.00 O ATOM 821 CB TYR A 54 2.642 -0.845 13.473 1.00 0.00 C ATOM 822 CG TYR A 54 2.566 -0.641 11.972 1.00 0.00 C ATOM 823 CD1 TYR A 54 1.931 -1.569 11.155 1.00 0.00 C ATOM 824 CD2 TYR A 54 3.116 0.486 11.376 1.00 0.00 C ATOM 825 CE1 TYR A 54 1.851 -1.380 9.788 1.00 0.00 C ATOM 826 CE2 TYR A 54 3.035 0.682 10.011 1.00 0.00 C ATOM 827 CZ TYR A 54 2.404 -0.253 9.222 1.00 0.00 C ATOM 828 OH TYR A 54 2.324 -0.060 7.862 1.00 0.00 O ATOM 0 H TYR A 54 4.978 0.017 13.868 1.00 0.00 H new ATOM 0 HA TYR A 54 3.486 -2.257 14.852 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.707 -1.292 13.810 1.00 0.00 H new ATOM 0 HB3 TYR A 54 2.720 0.131 13.952 1.00 0.00 H new ATOM 0 HD1 TYR A 54 1.493 -2.452 11.596 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.615 1.221 11.990 1.00 0.00 H new ATOM 0 HE1 TYR A 54 1.357 -2.113 9.167 1.00 0.00 H new ATOM 0 HE2 TYR A 54 3.465 1.566 9.564 1.00 0.00 H new ATOM 0 HH TYR A 54 1.986 0.841 7.679 1.00 0.00 H new ATOM 838 N ARG A 55 5.469 -2.891 12.588 1.00 0.00 N ATOM 839 CA ARG A 55 5.922 -3.865 11.599 1.00 0.00 C ATOM 840 C ARG A 55 5.427 -5.269 11.943 1.00 0.00 C ATOM 841 O ARG A 55 5.828 -5.858 12.947 1.00 0.00 O ATOM 842 CB ARG A 55 7.452 -3.853 11.496 1.00 0.00 C ATOM 843 CG ARG A 55 8.159 -4.469 12.694 1.00 0.00 C ATOM 844 CD ARG A 55 9.661 -4.233 12.637 1.00 0.00 C ATOM 845 NE ARG A 55 10.326 -4.658 13.865 1.00 0.00 N ATOM 846 CZ ARG A 55 11.629 -4.925 13.949 1.00 0.00 C ATOM 847 NH1 ARG A 55 12.408 -4.806 12.881 1.00 0.00 N ATOM 848 NH2 ARG A 55 12.153 -5.310 15.105 1.00 0.00 N ATOM 0 H ARG A 55 6.211 -2.320 12.992 1.00 0.00 H new ATOM 0 HA ARG A 55 5.502 -3.583 10.634 1.00 0.00 H new ATOM 0 HB2 ARG A 55 7.749 -4.391 10.596 1.00 0.00 H new ATOM 0 HB3 ARG A 55 7.790 -2.823 11.378 1.00 0.00 H new ATOM 0 HG2 ARG A 55 7.757 -4.043 13.613 1.00 0.00 H new ATOM 0 HG3 ARG A 55 7.959 -5.540 12.725 1.00 0.00 H new ATOM 0 HD2 ARG A 55 10.082 -4.775 11.790 1.00 0.00 H new ATOM 0 HD3 ARG A 55 9.856 -3.174 12.466 1.00 0.00 H new ATOM 0 HE ARG A 55 9.760 -4.756 14.708 1.00 0.00 H new ATOM 0 HH11 ARG A 55 12.010 -4.509 11.990 1.00 0.00 H new ATOM 0 HH12 ARG A 55 13.405 -5.012 12.951 1.00 0.00 H new ATOM 0 HH21 ARG A 55 11.559 -5.402 15.929 1.00 0.00 H new ATOM 0 HH22 ARG A 55 13.150 -5.515 15.170 1.00 0.00 H new ATOM 862 N SER A 56 4.543 -5.791 11.098 1.00 0.00 N ATOM 863 CA SER A 56 3.970 -7.122 11.290 1.00 0.00 C ATOM 864 C SER A 56 2.816 -7.339 10.319 1.00 0.00 C ATOM 865 O SER A 56 2.616 -8.440 9.805 1.00 0.00 O ATOM 866 CB SER A 56 3.478 -7.297 12.731 1.00 0.00 C ATOM 867 OG SER A 56 4.475 -7.897 13.539 1.00 0.00 O ATOM 0 H SER A 56 4.205 -5.308 10.266 1.00 0.00 H new ATOM 0 HA SER A 56 4.747 -7.862 11.096 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.204 -6.327 13.146 1.00 0.00 H new ATOM 0 HB3 SER A 56 2.579 -7.913 12.740 1.00 0.00 H new ATOM 0 HG SER A 56 5.171 -7.238 13.742 1.00 0.00 H new ATOM 873 N VAL A 57 2.065 -6.272 10.067 1.00 0.00 N ATOM 874 CA VAL A 57 0.931 -6.324 9.152 1.00 0.00 C ATOM 875 C VAL A 57 1.312 -5.779 7.777 1.00 0.00 C ATOM 876 O VAL A 57 0.445 -5.468 6.960 1.00 0.00 O ATOM 877 CB VAL A 57 -0.260 -5.511 9.698 1.00 0.00 C ATOM 878 CG1 VAL A 57 -0.888 -6.217 10.890 1.00 0.00 C ATOM 879 CG2 VAL A 57 0.182 -4.102 10.073 1.00 0.00 C ATOM 0 H VAL A 57 2.223 -5.356 10.487 1.00 0.00 H new ATOM 0 HA VAL A 57 0.641 -7.371 9.059 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.014 -5.434 8.914 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.727 -5.628 11.261 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.243 -7.201 10.584 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.145 -6.328 11.680 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.672 -3.543 10.456 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.955 -4.155 10.840 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.579 -3.599 9.192 1.00 0.00 H new ATOM 889 N TRP A 58 2.617 -5.659 7.530 1.00 0.00 N ATOM 890 CA TRP A 58 3.117 -5.144 6.259 1.00 0.00 C ATOM 891 C TRP A 58 4.642 -5.096 6.265 1.00 0.00 C ATOM 892 O TRP A 58 5.252 -4.669 7.245 1.00 0.00 O ATOM 893 CB TRP A 58 2.553 -3.746 6.000 1.00 0.00 C ATOM 894 CG TRP A 58 2.275 -3.465 4.557 1.00 0.00 C ATOM 895 CD1 TRP A 58 2.610 -2.337 3.867 1.00 0.00 C ATOM 896 CD2 TRP A 58 1.604 -4.321 3.625 1.00 0.00 C ATOM 897 NE1 TRP A 58 2.192 -2.438 2.564 1.00 0.00 N ATOM 898 CE2 TRP A 58 1.570 -3.647 2.389 1.00 0.00 C ATOM 899 CE3 TRP A 58 1.027 -5.592 3.714 1.00 0.00 C ATOM 900 CZ2 TRP A 58 0.984 -4.202 1.254 1.00 0.00 C ATOM 901 CZ3 TRP A 58 0.446 -6.140 2.586 1.00 0.00 C ATOM 902 CH2 TRP A 58 0.429 -5.446 1.370 1.00 0.00 C ATOM 0 H TRP A 58 3.347 -5.913 8.196 1.00 0.00 H new ATOM 0 HA TRP A 58 2.792 -5.813 5.463 1.00 0.00 H new ATOM 0 HB2 TRP A 58 1.631 -3.625 6.568 1.00 0.00 H new ATOM 0 HB3 TRP A 58 3.258 -3.005 6.376 1.00 0.00 H new ATOM 0 HD1 TRP A 58 3.129 -1.487 4.286 1.00 0.00 H new ATOM 0 HE1 TRP A 58 2.323 -1.729 1.843 1.00 0.00 H new ATOM 0 HE3 TRP A 58 1.035 -6.135 4.647 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 0.969 -3.668 0.315 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -0.003 -7.121 2.643 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -0.032 -5.903 0.506 1.00 0.00 H new ATOM 913 N HIS A 59 5.257 -5.539 5.171 1.00 0.00 N ATOM 914 CA HIS A 59 6.714 -5.539 5.069 1.00 0.00 C ATOM 915 C HIS A 59 7.172 -5.811 3.637 1.00 0.00 C ATOM 916 O HIS A 59 7.617 -6.914 3.318 1.00 0.00 O ATOM 917 CB HIS A 59 7.308 -6.586 6.014 1.00 0.00 C ATOM 918 CG HIS A 59 8.730 -6.312 6.392 1.00 0.00 C ATOM 919 ND1 HIS A 59 9.714 -6.027 5.469 1.00 0.00 N ATOM 920 CD2 HIS A 59 9.334 -6.278 7.604 1.00 0.00 C ATOM 921 CE1 HIS A 59 10.861 -5.833 6.095 1.00 0.00 C ATOM 922 NE2 HIS A 59 10.657 -5.979 7.392 1.00 0.00 N ATOM 0 H HIS A 59 4.774 -5.900 4.349 1.00 0.00 H new ATOM 0 HA HIS A 59 7.069 -4.549 5.356 1.00 0.00 H new ATOM 0 HB2 HIS A 59 6.702 -6.632 6.919 1.00 0.00 H new ATOM 0 HB3 HIS A 59 7.249 -7.566 5.541 1.00 0.00 H new ATOM 0 HD2 HIS A 59 8.862 -6.454 8.560 1.00 0.00 H new ATOM 0 HE1 HIS A 59 11.805 -5.596 5.626 1.00 0.00 H new ATOM 0 HE2 HIS A 59 11.367 -5.885 8.118 1.00 0.00 H new ATOM 931 N PRO A 60 7.076 -4.801 2.755 1.00 0.00 N ATOM 932 CA PRO A 60 7.487 -4.929 1.359 1.00 0.00 C ATOM 933 C PRO A 60 8.990 -4.720 1.177 1.00 0.00 C ATOM 934 O PRO A 60 9.758 -4.833 2.132 1.00 0.00 O ATOM 935 CB PRO A 60 6.694 -3.817 0.677 1.00 0.00 C ATOM 936 CG PRO A 60 6.570 -2.753 1.714 1.00 0.00 C ATOM 937 CD PRO A 60 6.560 -3.451 3.052 1.00 0.00 C ATOM 0 HA PRO A 60 7.297 -5.922 0.953 1.00 0.00 H new ATOM 0 HB2 PRO A 60 7.210 -3.448 -0.209 1.00 0.00 H new ATOM 0 HB3 PRO A 60 5.715 -4.170 0.352 1.00 0.00 H new ATOM 0 HG2 PRO A 60 7.402 -2.051 1.650 1.00 0.00 H new ATOM 0 HG3 PRO A 60 5.655 -2.178 1.571 1.00 0.00 H new ATOM 0 HD2 PRO A 60 7.189 -2.934 3.777 1.00 0.00 H new ATOM 0 HD3 PRO A 60 5.556 -3.492 3.473 1.00 0.00 H new ATOM 945 N ALA A 61 9.406 -4.423 -0.051 1.00 0.00 N ATOM 946 CA ALA A 61 10.818 -4.206 -0.349 1.00 0.00 C ATOM 947 C ALA A 61 11.358 -2.960 0.351 1.00 0.00 C ATOM 948 O ALA A 61 11.995 -3.053 1.400 1.00 0.00 O ATOM 949 CB ALA A 61 11.028 -4.104 -1.853 1.00 0.00 C ATOM 0 H ALA A 61 8.786 -4.327 -0.855 1.00 0.00 H new ATOM 0 HA ALA A 61 11.374 -5.063 0.031 1.00 0.00 H new ATOM 0 HB1 ALA A 61 12.085 -3.942 -2.063 1.00 0.00 H new ATOM 0 HB2 ALA A 61 10.701 -5.028 -2.330 1.00 0.00 H new ATOM 0 HB3 ALA A 61 10.448 -3.269 -2.245 1.00 0.00 H new ATOM 955 N ARG A 62 11.108 -1.794 -0.241 1.00 0.00 N ATOM 956 CA ARG A 62 11.578 -0.531 0.323 1.00 0.00 C ATOM 957 C ARG A 62 11.001 -0.295 1.717 1.00 0.00 C ATOM 958 O ARG A 62 11.586 0.423 2.527 1.00 0.00 O ATOM 959 CB ARG A 62 11.205 0.632 -0.601 1.00 0.00 C ATOM 960 CG ARG A 62 11.859 0.552 -1.971 1.00 0.00 C ATOM 961 CD ARG A 62 13.373 0.656 -1.873 1.00 0.00 C ATOM 962 NE ARG A 62 14.017 0.503 -3.175 1.00 0.00 N ATOM 963 CZ ARG A 62 14.094 1.475 -4.082 1.00 0.00 C ATOM 964 NH1 ARG A 62 13.569 2.668 -3.832 1.00 0.00 N ATOM 965 NH2 ARG A 62 14.697 1.252 -5.242 1.00 0.00 N ATOM 0 H ARG A 62 10.583 -1.698 -1.110 1.00 0.00 H new ATOM 0 HA ARG A 62 12.663 -0.588 0.411 1.00 0.00 H new ATOM 0 HB2 ARG A 62 10.122 0.654 -0.725 1.00 0.00 H new ATOM 0 HB3 ARG A 62 11.491 1.570 -0.125 1.00 0.00 H new ATOM 0 HG2 ARG A 62 11.588 -0.389 -2.450 1.00 0.00 H new ATOM 0 HG3 ARG A 62 11.478 1.353 -2.604 1.00 0.00 H new ATOM 0 HD2 ARG A 62 13.643 1.622 -1.446 1.00 0.00 H new ATOM 0 HD3 ARG A 62 13.746 -0.109 -1.192 1.00 0.00 H new ATOM 0 HE ARG A 62 14.432 -0.401 -3.403 1.00 0.00 H new ATOM 0 HH11 ARG A 62 13.104 2.844 -2.942 1.00 0.00 H new ATOM 0 HH12 ARG A 62 13.631 3.409 -4.530 1.00 0.00 H new ATOM 0 HH21 ARG A 62 15.101 0.337 -5.439 1.00 0.00 H new ATOM 0 HH22 ARG A 62 14.756 1.996 -5.937 1.00 0.00 H new ATOM 979 N THR A 63 9.852 -0.908 1.988 1.00 0.00 N ATOM 980 CA THR A 63 9.188 -0.777 3.282 1.00 0.00 C ATOM 981 C THR A 63 8.807 0.673 3.580 1.00 0.00 C ATOM 982 O THR A 63 7.680 1.089 3.308 1.00 0.00 O ATOM 983 CB THR A 63 10.072 -1.355 4.397 1.00 0.00 C ATOM 984 OG1 THR A 63 11.138 -0.481 4.717 1.00 0.00 O ATOM 985 CG2 THR A 63 10.675 -2.697 4.043 1.00 0.00 C ATOM 0 H THR A 63 9.358 -1.504 1.324 1.00 0.00 H new ATOM 0 HA THR A 63 8.261 -1.350 3.241 1.00 0.00 H new ATOM 0 HB THR A 63 9.403 -1.479 5.249 1.00 0.00 H new ATOM 0 HG1 THR A 63 11.754 -0.424 3.957 1.00 0.00 H new ATOM 0 HG21 THR A 63 11.288 -3.050 4.872 1.00 0.00 H new ATOM 0 HG22 THR A 63 9.878 -3.415 3.850 1.00 0.00 H new ATOM 0 HG23 THR A 63 11.294 -2.594 3.152 1.00 0.00 H new ATOM 993 N VAL A 64 9.736 1.441 4.143 1.00 0.00 N ATOM 994 CA VAL A 64 9.469 2.839 4.475 1.00 0.00 C ATOM 995 C VAL A 64 8.851 3.570 3.284 1.00 0.00 C ATOM 996 O VAL A 64 8.019 4.461 3.455 1.00 0.00 O ATOM 997 CB VAL A 64 10.751 3.568 4.938 1.00 0.00 C ATOM 998 CG1 VAL A 64 10.626 5.078 4.772 1.00 0.00 C ATOM 999 CG2 VAL A 64 11.056 3.219 6.387 1.00 0.00 C ATOM 0 H VAL A 64 10.676 1.122 4.378 1.00 0.00 H new ATOM 0 HA VAL A 64 8.759 2.847 5.302 1.00 0.00 H new ATOM 0 HB VAL A 64 11.575 3.232 4.308 1.00 0.00 H new ATOM 0 HG11 VAL A 64 11.545 5.558 5.107 1.00 0.00 H new ATOM 0 HG12 VAL A 64 10.454 5.316 3.722 1.00 0.00 H new ATOM 0 HG13 VAL A 64 9.789 5.441 5.368 1.00 0.00 H new ATOM 0 HG21 VAL A 64 11.961 3.738 6.703 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.222 3.526 7.018 1.00 0.00 H new ATOM 0 HG23 VAL A 64 11.204 2.143 6.479 1.00 0.00 H new ATOM 1009 N SER A 65 9.253 3.178 2.081 1.00 0.00 N ATOM 1010 CA SER A 65 8.722 3.791 0.873 1.00 0.00 C ATOM 1011 C SER A 65 7.249 3.438 0.712 1.00 0.00 C ATOM 1012 O SER A 65 6.436 4.280 0.327 1.00 0.00 O ATOM 1013 CB SER A 65 9.510 3.331 -0.356 1.00 0.00 C ATOM 1014 OG SER A 65 9.321 4.218 -1.444 1.00 0.00 O ATOM 0 H SER A 65 9.941 2.443 1.918 1.00 0.00 H new ATOM 0 HA SER A 65 8.821 4.873 0.962 1.00 0.00 H new ATOM 0 HB2 SER A 65 10.570 3.272 -0.111 1.00 0.00 H new ATOM 0 HB3 SER A 65 9.192 2.328 -0.641 1.00 0.00 H new ATOM 0 HG SER A 65 9.836 3.903 -2.216 1.00 0.00 H new ATOM 1020 N GLN A 66 6.912 2.193 1.026 1.00 0.00 N ATOM 1021 CA GLN A 66 5.534 1.736 0.931 1.00 0.00 C ATOM 1022 C GLN A 66 4.666 2.476 1.942 1.00 0.00 C ATOM 1023 O GLN A 66 3.489 2.734 1.694 1.00 0.00 O ATOM 1024 CB GLN A 66 5.449 0.229 1.169 1.00 0.00 C ATOM 1025 CG GLN A 66 4.369 -0.456 0.348 1.00 0.00 C ATOM 1026 CD GLN A 66 4.867 -0.904 -1.012 1.00 0.00 C ATOM 1027 OE1 GLN A 66 6.000 -0.618 -1.396 1.00 0.00 O ATOM 1028 NE2 GLN A 66 4.018 -1.611 -1.749 1.00 0.00 N ATOM 0 H GLN A 66 7.572 1.485 1.347 1.00 0.00 H new ATOM 0 HA GLN A 66 5.168 1.948 -0.074 1.00 0.00 H new ATOM 0 HB2 GLN A 66 6.413 -0.222 0.935 1.00 0.00 H new ATOM 0 HB3 GLN A 66 5.260 0.047 2.227 1.00 0.00 H new ATOM 0 HG2 GLN A 66 3.994 -1.320 0.896 1.00 0.00 H new ATOM 0 HG3 GLN A 66 3.530 0.227 0.217 1.00 0.00 H new ATOM 0 HE21 GLN A 66 3.087 -1.825 -1.391 1.00 0.00 H new ATOM 0 HE22 GLN A 66 4.297 -1.940 -2.673 1.00 0.00 H new ATOM 1037 N LEU A 67 5.262 2.819 3.080 1.00 0.00 N ATOM 1038 CA LEU A 67 4.544 3.536 4.126 1.00 0.00 C ATOM 1039 C LEU A 67 4.147 4.918 3.638 1.00 0.00 C ATOM 1040 O LEU A 67 2.984 5.306 3.725 1.00 0.00 O ATOM 1041 CB LEU A 67 5.423 3.650 5.381 1.00 0.00 C ATOM 1042 CG LEU A 67 4.717 4.081 6.676 1.00 0.00 C ATOM 1043 CD1 LEU A 67 3.711 5.194 6.419 1.00 0.00 C ATOM 1044 CD2 LEU A 67 4.042 2.893 7.344 1.00 0.00 C ATOM 0 H LEU A 67 6.236 2.613 3.300 1.00 0.00 H new ATOM 0 HA LEU A 67 3.639 2.982 4.376 1.00 0.00 H new ATOM 0 HB2 LEU A 67 5.895 2.683 5.556 1.00 0.00 H new ATOM 0 HB3 LEU A 67 6.222 4.362 5.175 1.00 0.00 H new ATOM 0 HG LEU A 67 5.478 4.471 7.351 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.231 5.474 7.357 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.225 6.060 6.002 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.956 4.846 5.714 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.549 3.222 8.259 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.303 2.466 6.666 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.790 2.138 7.586 1.00 0.00 H new ATOM 1056 N TYR A 68 5.111 5.648 3.106 1.00 0.00 N ATOM 1057 CA TYR A 68 4.847 6.980 2.591 1.00 0.00 C ATOM 1058 C TYR A 68 3.845 6.912 1.447 1.00 0.00 C ATOM 1059 O TYR A 68 3.101 7.860 1.198 1.00 0.00 O ATOM 1060 CB TYR A 68 6.147 7.637 2.119 1.00 0.00 C ATOM 1061 CG TYR A 68 6.912 8.333 3.223 1.00 0.00 C ATOM 1062 CD1 TYR A 68 6.868 7.865 4.532 1.00 0.00 C ATOM 1063 CD2 TYR A 68 7.680 9.459 2.955 1.00 0.00 C ATOM 1064 CE1 TYR A 68 7.568 8.501 5.540 1.00 0.00 C ATOM 1065 CE2 TYR A 68 8.383 10.100 3.959 1.00 0.00 C ATOM 1066 CZ TYR A 68 8.324 9.617 5.249 1.00 0.00 C ATOM 1067 OH TYR A 68 9.022 10.251 6.251 1.00 0.00 O ATOM 0 H TYR A 68 6.080 5.343 3.019 1.00 0.00 H new ATOM 0 HA TYR A 68 4.424 7.585 3.392 1.00 0.00 H new ATOM 0 HB2 TYR A 68 6.786 6.877 1.670 1.00 0.00 H new ATOM 0 HB3 TYR A 68 5.915 8.361 1.338 1.00 0.00 H new ATOM 0 HD1 TYR A 68 6.278 6.991 4.764 1.00 0.00 H new ATOM 0 HD2 TYR A 68 7.729 9.840 1.946 1.00 0.00 H new ATOM 0 HE1 TYR A 68 7.523 8.125 6.552 1.00 0.00 H new ATOM 0 HE2 TYR A 68 8.975 10.975 3.734 1.00 0.00 H new ATOM 0 HH TYR A 68 9.504 11.019 5.879 1.00 0.00 H new ATOM 1077 N ASP A 69 3.840 5.781 0.749 1.00 0.00 N ATOM 1078 CA ASP A 69 2.939 5.583 -0.375 1.00 0.00 C ATOM 1079 C ASP A 69 1.496 5.407 0.069 1.00 0.00 C ATOM 1080 O ASP A 69 0.596 6.062 -0.458 1.00 0.00 O ATOM 1081 CB ASP A 69 3.380 4.369 -1.191 1.00 0.00 C ATOM 1082 CG ASP A 69 4.615 4.648 -2.024 1.00 0.00 C ATOM 1083 OD1 ASP A 69 4.805 5.812 -2.435 1.00 0.00 O ATOM 1084 OD2 ASP A 69 5.395 3.701 -2.266 1.00 0.00 O ATOM 0 H ASP A 69 4.451 4.988 0.944 1.00 0.00 H new ATOM 0 HA ASP A 69 2.987 6.481 -0.991 1.00 0.00 H new ATOM 0 HB2 ASP A 69 3.580 3.536 -0.517 1.00 0.00 H new ATOM 0 HB3 ASP A 69 2.566 4.060 -1.846 1.00 0.00 H new ATOM 1089 N HIS A 70 1.265 4.521 1.029 1.00 0.00 N ATOM 1090 CA HIS A 70 -0.091 4.290 1.502 1.00 0.00 C ATOM 1091 C HIS A 70 -0.515 5.356 2.504 1.00 0.00 C ATOM 1092 O HIS A 70 -1.706 5.525 2.772 1.00 0.00 O ATOM 1093 CB HIS A 70 -0.262 2.878 2.072 1.00 0.00 C ATOM 1094 CG HIS A 70 0.614 2.550 3.233 1.00 0.00 C ATOM 1095 ND1 HIS A 70 1.403 1.422 3.269 1.00 0.00 N ATOM 1096 CD2 HIS A 70 0.794 3.174 4.418 1.00 0.00 C ATOM 1097 CE1 HIS A 70 2.030 1.363 4.424 1.00 0.00 C ATOM 1098 NE2 HIS A 70 1.678 2.414 5.141 1.00 0.00 N ATOM 0 H HIS A 70 1.984 3.961 1.487 1.00 0.00 H new ATOM 0 HA HIS A 70 -0.754 4.367 0.640 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -1.301 2.749 2.374 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -0.069 2.157 1.277 1.00 0.00 H new ATOM 0 HD1 HIS A 70 1.488 0.738 2.517 1.00 0.00 H new ATOM 0 HD2 HIS A 70 0.330 4.096 4.736 1.00 0.00 H new ATOM 0 HE1 HIS A 70 2.715 0.588 4.733 1.00 0.00 H new ATOM 1107 N TRP A 71 0.450 6.105 3.024 1.00 0.00 N ATOM 1108 CA TRP A 71 0.145 7.179 3.955 1.00 0.00 C ATOM 1109 C TRP A 71 -0.161 8.452 3.178 1.00 0.00 C ATOM 1110 O TRP A 71 -1.001 9.255 3.588 1.00 0.00 O ATOM 1111 CB TRP A 71 1.301 7.415 4.929 1.00 0.00 C ATOM 1112 CG TRP A 71 0.847 7.749 6.317 1.00 0.00 C ATOM 1113 CD1 TRP A 71 0.841 6.918 7.400 1.00 0.00 C ATOM 1114 CD2 TRP A 71 0.326 9.005 6.773 1.00 0.00 C ATOM 1115 NE1 TRP A 71 0.350 7.577 8.500 1.00 0.00 N ATOM 1116 CE2 TRP A 71 0.028 8.860 8.141 1.00 0.00 C ATOM 1117 CE3 TRP A 71 0.087 10.236 6.158 1.00 0.00 C ATOM 1118 CZ2 TRP A 71 -0.499 9.901 8.902 1.00 0.00 C ATOM 1119 CZ3 TRP A 71 -0.436 11.268 6.914 1.00 0.00 C ATOM 1120 CH2 TRP A 71 -0.723 11.094 8.273 1.00 0.00 C ATOM 0 H TRP A 71 1.442 5.988 2.818 1.00 0.00 H new ATOM 0 HA TRP A 71 -0.727 6.892 4.542 1.00 0.00 H new ATOM 0 HB2 TRP A 71 1.926 6.523 4.963 1.00 0.00 H new ATOM 0 HB3 TRP A 71 1.924 8.226 4.553 1.00 0.00 H new ATOM 0 HD1 TRP A 71 1.174 5.891 7.393 1.00 0.00 H new ATOM 0 HE1 TRP A 71 0.242 7.177 9.432 1.00 0.00 H new ATOM 0 HE3 TRP A 71 0.307 10.379 5.110 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -0.722 9.770 9.951 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -0.626 12.224 6.449 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -1.130 11.920 8.837 1.00 0.00 H new ATOM 1131 N ARG A 72 0.509 8.622 2.035 1.00 0.00 N ATOM 1132 CA ARG A 72 0.284 9.789 1.195 1.00 0.00 C ATOM 1133 C ARG A 72 -1.005 9.621 0.400 1.00 0.00 C ATOM 1134 O ARG A 72 -1.704 10.593 0.111 1.00 0.00 O ATOM 1135 CB ARG A 72 1.462 10.006 0.243 1.00 0.00 C ATOM 1136 CG ARG A 72 1.443 11.360 -0.447 1.00 0.00 C ATOM 1137 CD ARG A 72 1.986 11.276 -1.866 1.00 0.00 C ATOM 1138 NE ARG A 72 0.944 11.496 -2.866 1.00 0.00 N ATOM 1139 CZ ARG A 72 0.288 12.644 -3.013 1.00 0.00 C ATOM 1140 NH1 ARG A 72 0.566 13.681 -2.232 1.00 0.00 N ATOM 1141 NH2 ARG A 72 -0.647 12.757 -3.946 1.00 0.00 N ATOM 0 H ARG A 72 1.206 7.969 1.677 1.00 0.00 H new ATOM 0 HA ARG A 72 0.195 10.664 1.839 1.00 0.00 H new ATOM 0 HB2 ARG A 72 2.393 9.904 0.801 1.00 0.00 H new ATOM 0 HB3 ARG A 72 1.457 9.221 -0.514 1.00 0.00 H new ATOM 0 HG2 ARG A 72 0.423 11.743 -0.470 1.00 0.00 H new ATOM 0 HG3 ARG A 72 2.037 12.070 0.128 1.00 0.00 H new ATOM 0 HD2 ARG A 72 2.775 12.016 -1.996 1.00 0.00 H new ATOM 0 HD3 ARG A 72 2.438 10.297 -2.023 1.00 0.00 H new ATOM 0 HE ARG A 72 0.705 10.724 -3.488 1.00 0.00 H new ATOM 0 HH11 ARG A 72 1.286 13.600 -1.514 1.00 0.00 H new ATOM 0 HH12 ARG A 72 0.059 14.558 -2.350 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -0.863 11.964 -4.550 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -1.151 13.637 -4.059 1.00 0.00 H new ATOM 1155 N GLY A 73 -1.318 8.373 0.061 1.00 0.00 N ATOM 1156 CA GLY A 73 -2.525 8.087 -0.685 1.00 0.00 C ATOM 1157 C GLY A 73 -3.757 8.088 0.198 1.00 0.00 C ATOM 1158 O GLY A 73 -4.809 8.595 -0.190 1.00 0.00 O ATOM 0 H GLY A 73 -0.754 7.555 0.292 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.646 8.828 -1.475 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -2.429 7.116 -1.170 1.00 0.00 H new ATOM 1162 N THR A 74 -3.623 7.523 1.398 1.00 0.00 N ATOM 1163 CA THR A 74 -4.734 7.468 2.338 1.00 0.00 C ATOM 1164 C THR A 74 -5.095 8.866 2.829 1.00 0.00 C ATOM 1165 O THR A 74 -6.271 9.212 2.937 1.00 0.00 O ATOM 1166 CB THR A 74 -4.384 6.567 3.526 1.00 0.00 C ATOM 1167 OG1 THR A 74 -4.136 5.242 3.090 1.00 0.00 O ATOM 1168 CG2 THR A 74 -5.474 6.505 4.574 1.00 0.00 C ATOM 0 H THR A 74 -2.759 7.100 1.738 1.00 0.00 H new ATOM 0 HA THR A 74 -5.597 7.049 1.821 1.00 0.00 H new ATOM 0 HB THR A 74 -3.496 7.012 3.975 1.00 0.00 H new ATOM 0 HG1 THR A 74 -3.217 4.989 3.319 1.00 0.00 H new ATOM 0 HG21 THR A 74 -5.160 5.850 5.387 1.00 0.00 H new ATOM 0 HG22 THR A 74 -5.660 7.505 4.965 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.388 6.115 4.126 1.00 0.00 H new ATOM 1176 N LEU A 75 -4.075 9.671 3.124 1.00 0.00 N ATOM 1177 CA LEU A 75 -4.293 11.032 3.601 1.00 0.00 C ATOM 1178 C LEU A 75 -5.123 11.834 2.601 1.00 0.00 C ATOM 1179 O LEU A 75 -5.959 12.650 2.988 1.00 0.00 O ATOM 1180 CB LEU A 75 -2.955 11.732 3.846 1.00 0.00 C ATOM 1181 CG LEU A 75 -2.996 12.870 4.867 1.00 0.00 C ATOM 1182 CD1 LEU A 75 -4.007 13.926 4.447 1.00 0.00 C ATOM 1183 CD2 LEU A 75 -3.330 12.331 6.250 1.00 0.00 C ATOM 0 H LEU A 75 -3.094 9.404 3.041 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.843 10.975 4.541 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.230 10.990 4.181 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.591 12.128 2.898 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.011 13.334 4.907 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.023 14.728 5.185 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.726 14.332 3.475 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.997 13.475 4.380 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.355 13.154 6.965 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.304 11.842 6.225 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.570 11.610 6.553 1.00 0.00 H new ATOM 1195 N ARG A 76 -4.887 11.594 1.315 1.00 0.00 N ATOM 1196 CA ARG A 76 -5.615 12.293 0.261 1.00 0.00 C ATOM 1197 C ARG A 76 -5.601 11.487 -1.035 1.00 0.00 C ATOM 1198 O ARG A 76 -4.578 10.916 -1.411 1.00 0.00 O ATOM 1199 CB ARG A 76 -5.004 13.676 0.022 1.00 0.00 C ATOM 1200 CG ARG A 76 -3.530 13.635 -0.347 1.00 0.00 C ATOM 1201 CD ARG A 76 -3.183 14.699 -1.376 1.00 0.00 C ATOM 1202 NE ARG A 76 -3.457 14.252 -2.739 1.00 0.00 N ATOM 1203 CZ ARG A 76 -3.339 15.030 -3.812 1.00 0.00 C ATOM 1204 NH1 ARG A 76 -2.952 16.293 -3.684 1.00 0.00 N ATOM 1205 NH2 ARG A 76 -3.608 14.544 -5.016 1.00 0.00 N ATOM 0 H ARG A 76 -4.198 10.922 0.978 1.00 0.00 H new ATOM 0 HA ARG A 76 -6.649 12.411 0.584 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -5.556 14.175 -0.775 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -5.128 14.279 0.921 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.926 13.782 0.548 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -3.280 12.650 -0.742 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.755 15.603 -1.169 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.129 14.961 -1.285 1.00 0.00 H new ATOM 0 HE ARG A 76 -3.756 13.287 -2.877 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -2.743 16.671 -2.760 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -2.863 16.885 -4.510 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -3.905 13.574 -5.120 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -3.518 15.140 -5.839 1.00 0.00 H new ATOM 1219 N TYR A 77 -6.743 11.448 -1.714 1.00 0.00 N ATOM 1220 CA TYR A 77 -6.861 10.713 -2.967 1.00 0.00 C ATOM 1221 C TYR A 77 -8.007 11.257 -3.815 1.00 0.00 C ATOM 1222 O TYR A 77 -7.837 11.528 -5.004 1.00 0.00 O ATOM 1223 CB TYR A 77 -7.077 9.224 -2.692 1.00 0.00 C ATOM 1224 CG TYR A 77 -8.248 8.939 -1.779 1.00 0.00 C ATOM 1225 CD1 TYR A 77 -8.115 9.023 -0.398 1.00 0.00 C ATOM 1226 CD2 TYR A 77 -9.489 8.589 -2.298 1.00 0.00 C ATOM 1227 CE1 TYR A 77 -9.182 8.763 0.438 1.00 0.00 C ATOM 1228 CE2 TYR A 77 -10.562 8.329 -1.466 1.00 0.00 C ATOM 1229 CZ TYR A 77 -10.404 8.418 -0.099 1.00 0.00 C ATOM 1230 OH TYR A 77 -11.470 8.161 0.731 1.00 0.00 O ATOM 0 H TYR A 77 -7.599 11.917 -1.417 1.00 0.00 H new ATOM 0 HA TYR A 77 -5.931 10.842 -3.521 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.232 8.707 -3.639 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -6.172 8.810 -2.247 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -7.161 9.296 0.028 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -9.617 8.519 -3.368 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -9.060 8.830 1.509 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -11.520 8.057 -1.885 1.00 0.00 H new ATOM 0 HH TYR A 77 -12.257 7.934 0.192 1.00 0.00 H new ATOM 1240 N LYS A 78 -9.172 11.415 -3.195 1.00 0.00 N ATOM 1241 CA LYS A 78 -10.345 11.927 -3.895 1.00 0.00 C ATOM 1242 C LYS A 78 -10.481 13.432 -3.701 1.00 0.00 C ATOM 1243 O LYS A 78 -10.537 13.920 -2.573 1.00 0.00 O ATOM 1244 CB LYS A 78 -11.608 11.220 -3.399 1.00 0.00 C ATOM 1245 CG LYS A 78 -12.825 11.458 -4.283 1.00 0.00 C ATOM 1246 CD LYS A 78 -13.235 10.191 -5.018 1.00 0.00 C ATOM 1247 CE LYS A 78 -13.728 10.500 -6.423 1.00 0.00 C ATOM 1248 NZ LYS A 78 -14.389 9.323 -7.052 1.00 0.00 N ATOM 0 H LYS A 78 -9.329 11.196 -2.211 1.00 0.00 H new ATOM 0 HA LYS A 78 -10.219 11.727 -4.959 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -11.416 10.149 -3.340 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -11.831 11.560 -2.388 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -13.656 11.811 -3.673 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -12.604 12.244 -5.005 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -12.387 9.508 -5.070 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -14.020 9.682 -4.459 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -14.430 11.333 -6.386 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -12.888 10.817 -7.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -14.710 9.575 -8.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -13.713 8.535 -7.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -15.206 9.035 -6.477 1.00 0.00 H new ATOM 1262 N VAL A 79 -10.533 14.165 -4.809 1.00 0.00 N ATOM 1263 CA VAL A 79 -10.663 15.616 -4.761 1.00 0.00 C ATOM 1264 C VAL A 79 -11.751 16.103 -5.712 1.00 0.00 C ATOM 1265 O VAL A 79 -11.630 15.972 -6.930 1.00 0.00 O ATOM 1266 CB VAL A 79 -9.335 16.312 -5.119 1.00 0.00 C ATOM 1267 CG1 VAL A 79 -9.431 17.808 -4.868 1.00 0.00 C ATOM 1268 CG2 VAL A 79 -8.185 15.703 -4.332 1.00 0.00 C ATOM 0 H VAL A 79 -10.487 13.777 -5.751 1.00 0.00 H new ATOM 0 HA VAL A 79 -10.936 15.875 -3.738 1.00 0.00 H new ATOM 0 HB VAL A 79 -9.140 16.159 -6.180 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -8.484 18.282 -5.127 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -10.227 18.230 -5.482 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -9.651 17.987 -3.815 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -7.255 16.207 -4.597 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -8.371 15.823 -3.265 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -8.103 14.642 -4.569 1.00 0.00 H new ATOM 1278 N ILE A 80 -12.814 16.667 -5.147 1.00 0.00 N ATOM 1279 CA ILE A 80 -13.924 17.175 -5.944 1.00 0.00 C ATOM 1280 C ILE A 80 -14.051 18.687 -5.804 1.00 0.00 C ATOM 1281 O ILE A 80 -13.909 19.235 -4.710 1.00 0.00 O ATOM 1282 CB ILE A 80 -15.256 16.518 -5.535 1.00 0.00 C ATOM 1283 CG1 ILE A 80 -15.457 16.620 -4.023 1.00 0.00 C ATOM 1284 CG2 ILE A 80 -15.290 15.066 -5.985 1.00 0.00 C ATOM 1285 CD1 ILE A 80 -16.910 16.585 -3.603 1.00 0.00 C ATOM 0 H ILE A 80 -12.930 16.784 -4.140 1.00 0.00 H new ATOM 0 HA ILE A 80 -13.710 16.925 -6.983 1.00 0.00 H new ATOM 0 HB ILE A 80 -16.072 17.048 -6.026 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -14.927 15.800 -3.538 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -15.006 17.546 -3.666 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -16.237 14.615 -5.689 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -15.189 15.019 -7.069 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -14.468 14.522 -5.520 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -16.977 16.662 -2.518 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -17.441 17.421 -4.059 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -17.360 15.647 -3.929 1.00 0.00 H new ATOM 1297 N GLN A 81 -14.320 19.360 -6.918 1.00 0.00 N ATOM 1298 CA GLN A 81 -14.466 20.811 -6.919 1.00 0.00 C ATOM 1299 C GLN A 81 -15.938 21.211 -6.881 1.00 0.00 C ATOM 1300 O GLN A 81 -16.296 22.249 -6.322 1.00 0.00 O ATOM 1301 CB GLN A 81 -13.791 21.410 -8.155 1.00 0.00 C ATOM 1302 CG GLN A 81 -12.900 22.603 -7.843 1.00 0.00 C ATOM 1303 CD GLN A 81 -12.041 23.012 -9.024 1.00 0.00 C ATOM 1304 OE1 GLN A 81 -10.813 22.933 -8.969 1.00 0.00 O ATOM 1305 NE2 GLN A 81 -12.683 23.453 -10.098 1.00 0.00 N ATOM 0 H GLN A 81 -14.441 18.924 -7.832 1.00 0.00 H new ATOM 0 HA GLN A 81 -13.981 21.202 -6.024 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -13.194 20.639 -8.643 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -14.559 21.716 -8.866 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -13.521 23.446 -7.540 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -12.257 22.360 -6.997 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -13.702 23.501 -10.099 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -12.158 23.744 -10.923 1.00 0.00 H new ATOM 1314 N GLN A 82 -16.788 20.382 -7.478 1.00 0.00 N ATOM 1315 CA GLN A 82 -18.221 20.648 -7.514 1.00 0.00 C ATOM 1316 C GLN A 82 -18.962 19.764 -6.515 1.00 0.00 C ATOM 1317 O GLN A 82 -18.414 18.782 -6.014 1.00 0.00 O ATOM 1318 CB GLN A 82 -18.771 20.417 -8.922 1.00 0.00 C ATOM 1319 CG GLN A 82 -17.974 21.122 -10.008 1.00 0.00 C ATOM 1320 CD GLN A 82 -18.496 20.823 -11.400 1.00 0.00 C ATOM 1321 OE1 GLN A 82 -19.256 21.607 -11.972 1.00 0.00 O ATOM 1322 NE2 GLN A 82 -18.092 19.685 -11.952 1.00 0.00 N ATOM 0 H GLN A 82 -16.508 19.519 -7.944 1.00 0.00 H new ATOM 0 HA GLN A 82 -18.378 21.691 -7.238 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -18.783 19.347 -9.128 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -19.805 20.760 -8.960 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -18.004 22.198 -9.836 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -16.929 20.818 -9.942 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -17.462 19.066 -11.442 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -18.411 19.430 -12.886 1.00 0.00 H new ATOM 1331 N GLN A 83 -20.211 20.121 -6.230 1.00 0.00 N ATOM 1332 CA GLN A 83 -21.027 19.359 -5.292 1.00 0.00 C ATOM 1333 C GLN A 83 -22.132 18.604 -6.022 1.00 0.00 C ATOM 1334 O GLN A 83 -22.463 18.918 -7.165 1.00 0.00 O ATOM 1335 CB GLN A 83 -21.635 20.291 -4.242 1.00 0.00 C ATOM 1336 CG GLN A 83 -20.785 20.434 -2.990 1.00 0.00 C ATOM 1337 CD GLN A 83 -21.155 21.655 -2.172 1.00 0.00 C ATOM 1338 OE1 GLN A 83 -20.465 22.674 -2.212 1.00 0.00 O ATOM 1339 NE2 GLN A 83 -22.247 21.560 -1.423 1.00 0.00 N ATOM 0 H GLN A 83 -20.679 20.932 -6.635 1.00 0.00 H new ATOM 0 HA GLN A 83 -20.385 18.632 -4.794 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -21.783 21.276 -4.685 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -22.619 19.916 -3.962 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -20.897 19.541 -2.375 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -19.734 20.496 -3.273 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -22.790 20.696 -1.420 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -22.543 22.351 -0.851 1.00 0.00 H new ATOM 1348 N GLY A 84 -22.701 17.606 -5.354 1.00 0.00 N ATOM 1349 CA GLY A 84 -23.763 16.821 -5.955 1.00 0.00 C ATOM 1350 C GLY A 84 -23.863 15.430 -5.361 1.00 0.00 C ATOM 1351 O GLY A 84 -22.958 14.611 -5.525 1.00 0.00 O ATOM 0 H GLY A 84 -22.445 17.327 -4.407 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -24.713 17.339 -5.822 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -23.590 16.743 -7.028 1.00 0.00 H new ATOM 1355 N TYR A 85 -24.965 15.162 -4.669 1.00 0.00 N ATOM 1356 CA TYR A 85 -25.181 13.860 -4.048 1.00 0.00 C ATOM 1357 C TYR A 85 -26.556 13.306 -4.408 1.00 0.00 C ATOM 1358 O TYR A 85 -27.578 13.793 -3.925 1.00 0.00 O ATOM 1359 CB TYR A 85 -25.045 13.969 -2.527 1.00 0.00 C ATOM 1360 CG TYR A 85 -26.078 14.871 -1.892 1.00 0.00 C ATOM 1361 CD1 TYR A 85 -26.071 16.241 -2.125 1.00 0.00 C ATOM 1362 CD2 TYR A 85 -27.061 14.353 -1.058 1.00 0.00 C ATOM 1363 CE1 TYR A 85 -27.013 17.070 -1.545 1.00 0.00 C ATOM 1364 CE2 TYR A 85 -28.008 15.175 -0.475 1.00 0.00 C ATOM 1365 CZ TYR A 85 -27.978 16.532 -0.721 1.00 0.00 C ATOM 1366 OH TYR A 85 -28.920 17.353 -0.143 1.00 0.00 O ATOM 0 H TYR A 85 -25.723 15.829 -4.524 1.00 0.00 H new ATOM 0 HA TYR A 85 -24.423 13.175 -4.427 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -25.126 12.973 -2.091 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -24.050 14.343 -2.285 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -25.316 16.665 -2.771 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -27.086 13.291 -0.862 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -26.993 18.133 -1.736 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -28.767 14.757 0.169 1.00 0.00 H new ATOM 0 HH TYR A 85 -29.528 16.817 0.408 1.00 0.00 H new ATOM 1376 N ARG A 86 -26.572 12.283 -5.256 1.00 0.00 N ATOM 1377 CA ARG A 86 -27.821 11.662 -5.679 1.00 0.00 C ATOM 1378 C ARG A 86 -27.558 10.351 -6.413 1.00 0.00 C ATOM 1379 O ARG A 86 -26.618 10.248 -7.203 1.00 0.00 O ATOM 1380 CB ARG A 86 -28.611 12.614 -6.578 1.00 0.00 C ATOM 1381 CG ARG A 86 -29.939 12.043 -7.050 1.00 0.00 C ATOM 1382 CD ARG A 86 -31.064 13.059 -6.917 1.00 0.00 C ATOM 1383 NE ARG A 86 -32.118 12.840 -7.904 1.00 0.00 N ATOM 1384 CZ ARG A 86 -33.352 13.328 -7.792 1.00 0.00 C ATOM 1385 NH1 ARG A 86 -33.688 14.064 -6.740 1.00 0.00 N ATOM 1386 NH2 ARG A 86 -34.251 13.079 -8.734 1.00 0.00 N ATOM 0 H ARG A 86 -25.735 11.867 -5.663 1.00 0.00 H new ATOM 0 HA ARG A 86 -28.408 11.445 -4.787 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -28.796 13.542 -6.037 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -28.004 12.867 -7.447 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -29.852 11.730 -8.090 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -30.181 11.153 -6.468 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -31.488 13.001 -5.915 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -30.660 14.065 -7.035 1.00 0.00 H new ATOM 0 HE ARG A 86 -31.896 12.280 -8.727 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -33.000 14.258 -6.013 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -34.634 14.436 -6.659 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -33.997 12.514 -9.544 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -35.196 13.453 -8.648 1.00 0.00 H new ATOM 1400 N GLY A 87 -28.391 9.352 -6.149 1.00 0.00 N ATOM 1401 CA GLY A 87 -28.233 8.061 -6.792 1.00 0.00 C ATOM 1402 C GLY A 87 -29.327 7.085 -6.411 1.00 0.00 C ATOM 1403 O GLY A 87 -30.078 7.322 -5.466 1.00 0.00 O ATOM 0 H GLY A 87 -29.175 9.413 -5.499 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -28.231 8.195 -7.874 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -27.265 7.640 -6.521 1.00 0.00 H new ATOM 1407 N LYS A 88 -29.418 5.983 -7.149 1.00 0.00 N ATOM 1408 CA LYS A 88 -30.429 4.967 -6.884 1.00 0.00 C ATOM 1409 C LYS A 88 -30.163 3.708 -7.705 1.00 0.00 C ATOM 1410 O LYS A 88 -29.761 3.786 -8.865 1.00 0.00 O ATOM 1411 CB LYS A 88 -31.824 5.510 -7.199 1.00 0.00 C ATOM 1412 CG LYS A 88 -32.012 5.897 -8.657 1.00 0.00 C ATOM 1413 CD LYS A 88 -32.844 7.163 -8.796 1.00 0.00 C ATOM 1414 CE LYS A 88 -32.330 8.045 -9.922 1.00 0.00 C ATOM 1415 NZ LYS A 88 -33.309 9.104 -10.288 1.00 0.00 N ATOM 0 H LYS A 88 -28.804 5.771 -7.935 1.00 0.00 H new ATOM 0 HA LYS A 88 -30.379 4.707 -5.827 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -32.566 4.757 -6.933 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -32.015 6.382 -6.573 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -31.038 6.048 -9.123 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -32.498 5.081 -9.191 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -33.884 6.897 -8.986 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -32.823 7.719 -7.858 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -31.390 8.508 -9.621 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -32.116 7.430 -10.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -32.921 9.684 -11.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -34.197 8.663 -10.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -33.494 9.707 -9.461 1.00 0.00 H new ATOM 1429 N ASN A 89 -30.392 2.551 -7.094 1.00 0.00 N ATOM 1430 CA ASN A 89 -30.177 1.275 -7.769 1.00 0.00 C ATOM 1431 C ASN A 89 -31.442 0.423 -7.742 1.00 0.00 C ATOM 1432 O ASN A 89 -31.816 -0.182 -8.745 1.00 0.00 O ATOM 1433 CB ASN A 89 -29.023 0.515 -7.113 1.00 0.00 C ATOM 1434 CG ASN A 89 -27.676 1.152 -7.398 1.00 0.00 C ATOM 1435 OD1 ASN A 89 -27.453 2.324 -7.091 1.00 0.00 O ATOM 1436 ND2 ASN A 89 -26.770 0.381 -7.989 1.00 0.00 N ATOM 0 H ASN A 89 -30.726 2.470 -6.134 1.00 0.00 H new ATOM 0 HA ASN A 89 -29.923 1.482 -8.809 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -29.183 0.476 -6.035 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -29.019 -0.514 -7.472 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -25.846 0.755 -8.206 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -26.998 -0.585 -8.225 1.00 0.00 H new ATOM 1443 N SER A 90 -32.096 0.379 -6.586 1.00 0.00 N ATOM 1444 CA SER A 90 -33.318 -0.400 -6.426 1.00 0.00 C ATOM 1445 C SER A 90 -34.537 0.512 -6.319 1.00 0.00 C ATOM 1446 O SER A 90 -35.552 0.288 -6.977 1.00 0.00 O ATOM 1447 CB SER A 90 -33.224 -1.291 -5.187 1.00 0.00 C ATOM 1448 OG SER A 90 -32.699 -2.567 -5.515 1.00 0.00 O ATOM 0 H SER A 90 -31.799 0.874 -5.745 1.00 0.00 H new ATOM 0 HA SER A 90 -33.434 -1.029 -7.309 1.00 0.00 H new ATOM 0 HB2 SER A 90 -32.590 -0.814 -4.440 1.00 0.00 H new ATOM 0 HB3 SER A 90 -34.212 -1.404 -4.741 1.00 0.00 H new ATOM 0 HG SER A 90 -32.647 -3.117 -4.706 1.00 0.00 H new ATOM 1454 N VAL A 91 -34.427 1.541 -5.486 1.00 0.00 N ATOM 1455 CA VAL A 91 -35.520 2.485 -5.290 1.00 0.00 C ATOM 1456 C VAL A 91 -35.093 3.644 -4.393 1.00 0.00 C ATOM 1457 O VAL A 91 -35.443 4.796 -4.644 1.00 0.00 O ATOM 1458 CB VAL A 91 -36.756 1.797 -4.677 1.00 0.00 C ATOM 1459 CG1 VAL A 91 -36.426 1.224 -3.307 1.00 0.00 C ATOM 1460 CG2 VAL A 91 -37.923 2.769 -4.590 1.00 0.00 C ATOM 0 H VAL A 91 -33.592 1.742 -4.936 1.00 0.00 H new ATOM 0 HA VAL A 91 -35.784 2.872 -6.274 1.00 0.00 H new ATOM 0 HB VAL A 91 -37.048 0.973 -5.328 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -37.311 0.743 -2.891 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -35.625 0.491 -3.403 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -36.105 2.028 -2.644 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -38.785 2.264 -4.155 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -37.645 3.617 -3.964 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -38.176 3.124 -5.589 1.00 0.00 H new ATOM 1470 N ALA A 92 -34.334 3.326 -3.348 1.00 0.00 N ATOM 1471 CA ALA A 92 -33.856 4.335 -2.409 1.00 0.00 C ATOM 1472 C ALA A 92 -35.014 4.979 -1.652 1.00 0.00 C ATOM 1473 O ALA A 92 -35.246 4.678 -0.480 1.00 0.00 O ATOM 1474 CB ALA A 92 -33.041 5.396 -3.136 1.00 0.00 C ATOM 0 H ALA A 92 -34.036 2.375 -3.130 1.00 0.00 H new ATOM 0 HA ALA A 92 -33.214 3.838 -1.682 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -32.692 6.141 -2.420 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -32.184 4.928 -3.620 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -33.663 5.880 -3.889 1.00 0.00 H new ATOM 1480 N ALA A 93 -35.739 5.865 -2.327 1.00 0.00 N ATOM 1481 CA ALA A 93 -36.873 6.549 -1.717 1.00 0.00 C ATOM 1482 C ALA A 93 -36.430 7.384 -0.519 1.00 0.00 C ATOM 1483 O ALA A 93 -36.279 6.868 0.588 1.00 0.00 O ATOM 1484 CB ALA A 93 -37.935 5.542 -1.299 1.00 0.00 C ATOM 0 H ALA A 93 -35.561 6.126 -3.297 1.00 0.00 H new ATOM 0 HA ALA A 93 -37.301 7.224 -2.458 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -38.776 6.067 -0.845 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -38.280 4.993 -2.175 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -37.511 4.844 -0.577 1.00 0.00 H new ATOM 1490 N ARG A 94 -36.224 8.677 -0.752 1.00 0.00 N ATOM 1491 CA ARG A 94 -35.798 9.586 0.306 1.00 0.00 C ATOM 1492 C ARG A 94 -36.908 10.572 0.667 1.00 0.00 C ATOM 1493 O ARG A 94 -36.892 11.170 1.743 1.00 0.00 O ATOM 1494 CB ARG A 94 -34.543 10.348 -0.123 1.00 0.00 C ATOM 1495 CG ARG A 94 -33.499 10.468 0.976 1.00 0.00 C ATOM 1496 CD ARG A 94 -32.093 10.271 0.435 1.00 0.00 C ATOM 1497 NE ARG A 94 -31.129 11.162 1.077 1.00 0.00 N ATOM 1498 CZ ARG A 94 -29.927 11.439 0.578 1.00 0.00 C ATOM 1499 NH1 ARG A 94 -29.537 10.898 -0.572 1.00 0.00 N ATOM 1500 NH2 ARG A 94 -29.111 12.258 1.226 1.00 0.00 N ATOM 0 H ARG A 94 -36.345 9.118 -1.664 1.00 0.00 H new ATOM 0 HA ARG A 94 -35.571 8.989 1.189 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -34.098 9.845 -0.982 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -34.829 11.347 -0.452 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -33.575 11.449 1.445 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -33.699 9.728 1.751 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -31.788 9.236 0.588 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -32.090 10.449 -0.640 1.00 0.00 H new ATOM 0 HE ARG A 94 -31.393 11.598 1.961 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -30.160 10.267 -1.076 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -28.615 11.114 -0.950 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -29.404 12.677 2.109 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -28.190 12.469 0.842 1.00 0.00 H new ATOM 1514 N SER A 95 -37.869 10.742 -0.238 1.00 0.00 N ATOM 1515 CA SER A 95 -38.982 11.658 -0.012 1.00 0.00 C ATOM 1516 C SER A 95 -38.488 13.099 0.101 1.00 0.00 C ATOM 1517 O SER A 95 -38.357 13.635 1.201 1.00 0.00 O ATOM 1518 CB SER A 95 -39.746 11.267 1.256 1.00 0.00 C ATOM 1519 OG SER A 95 -40.223 9.935 1.174 1.00 0.00 O ATOM 0 H SER A 95 -37.899 10.257 -1.135 1.00 0.00 H new ATOM 0 HA SER A 95 -39.654 11.589 -0.867 1.00 0.00 H new ATOM 0 HB2 SER A 95 -39.094 11.370 2.123 1.00 0.00 H new ATOM 0 HB3 SER A 95 -40.584 11.948 1.404 1.00 0.00 H new ATOM 0 HG SER A 95 -40.706 9.709 1.996 1.00 0.00 H new ATOM 1525 N PRO A 96 -38.205 13.744 -1.044 1.00 0.00 N ATOM 1526 CA PRO A 96 -37.721 15.129 -1.072 1.00 0.00 C ATOM 1527 C PRO A 96 -38.662 16.085 -0.344 1.00 0.00 C ATOM 1528 O PRO A 96 -39.549 15.659 0.394 1.00 0.00 O ATOM 1529 CB PRO A 96 -37.673 15.464 -2.565 1.00 0.00 C ATOM 1530 CG PRO A 96 -37.565 14.148 -3.250 1.00 0.00 C ATOM 1531 CD PRO A 96 -38.332 13.177 -2.398 1.00 0.00 C ATOM 0 HA PRO A 96 -36.760 15.233 -0.569 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -38.569 16.000 -2.878 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -36.821 16.102 -2.799 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -37.980 14.196 -4.257 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -36.523 13.843 -3.349 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -39.374 13.105 -2.708 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -37.912 12.173 -2.455 1.00 0.00 H new ATOM 1539 N GLU A 97 -38.458 17.382 -0.557 1.00 0.00 N ATOM 1540 CA GLU A 97 -39.287 18.401 0.078 1.00 0.00 C ATOM 1541 C GLU A 97 -39.404 19.636 -0.808 1.00 0.00 C ATOM 1542 O GLU A 97 -38.399 20.178 -1.271 1.00 0.00 O ATOM 1543 CB GLU A 97 -38.706 18.786 1.438 1.00 0.00 C ATOM 1544 CG GLU A 97 -38.796 17.679 2.474 1.00 0.00 C ATOM 1545 CD GLU A 97 -38.072 18.022 3.761 1.00 0.00 C ATOM 1546 OE1 GLU A 97 -38.522 18.949 4.466 1.00 0.00 O ATOM 1547 OE2 GLU A 97 -37.053 17.366 4.063 1.00 0.00 O ATOM 0 H GLU A 97 -37.726 17.752 -1.164 1.00 0.00 H new ATOM 0 HA GLU A 97 -40.284 17.985 0.223 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -37.661 19.068 1.310 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -39.230 19.665 1.812 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -39.844 17.477 2.694 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -38.376 16.763 2.059 1.00 0.00 H new ATOM 1554 N LYS A 98 -40.635 20.079 -1.041 1.00 0.00 N ATOM 1555 CA LYS A 98 -40.882 21.251 -1.872 1.00 0.00 C ATOM 1556 C LYS A 98 -42.267 21.830 -1.599 1.00 0.00 C ATOM 1557 O LYS A 98 -43.051 22.055 -2.521 1.00 0.00 O ATOM 1558 CB LYS A 98 -40.745 20.888 -3.353 1.00 0.00 C ATOM 1559 CG LYS A 98 -40.325 22.057 -4.229 1.00 0.00 C ATOM 1560 CD LYS A 98 -39.420 21.604 -5.363 1.00 0.00 C ATOM 1561 CE LYS A 98 -38.766 22.786 -6.061 1.00 0.00 C ATOM 1562 NZ LYS A 98 -38.228 22.415 -7.398 1.00 0.00 N ATOM 0 H LYS A 98 -41.478 19.643 -0.666 1.00 0.00 H new ATOM 0 HA LYS A 98 -40.139 22.008 -1.622 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -40.014 20.086 -3.456 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -41.697 20.499 -3.713 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -41.210 22.542 -4.640 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -39.807 22.800 -3.623 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -38.650 20.940 -4.972 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -40.000 21.029 -6.085 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -39.494 23.589 -6.173 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -37.958 23.173 -5.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -37.791 23.249 -7.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -37.514 21.666 -7.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -39.002 22.070 -8.000 1.00 0.00 H new ATOM 1576 N ALA A 99 -42.563 22.068 -0.327 1.00 0.00 N ATOM 1577 CA ALA A 99 -43.852 22.621 0.068 1.00 0.00 C ATOM 1578 C ALA A 99 -43.791 23.212 1.473 1.00 0.00 C ATOM 1579 O ALA A 99 -43.233 22.606 2.388 1.00 0.00 O ATOM 1580 CB ALA A 99 -44.931 21.551 -0.010 1.00 0.00 C ATOM 0 H ALA A 99 -41.927 21.886 0.449 1.00 0.00 H new ATOM 0 HA ALA A 99 -44.101 23.425 -0.624 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -45.889 21.978 0.288 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -45.001 21.179 -1.032 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -44.677 20.728 0.659 1.00 0.00 H new ATOM 1586 N SER A 100 -44.366 24.399 1.636 1.00 0.00 N ATOM 1587 CA SER A 100 -44.377 25.072 2.930 1.00 0.00 C ATOM 1588 C SER A 100 -45.483 24.518 3.821 1.00 0.00 C ATOM 1589 O SER A 100 -46.668 24.747 3.573 1.00 0.00 O ATOM 1590 CB SER A 100 -44.563 26.578 2.741 1.00 0.00 C ATOM 1591 OG SER A 100 -44.063 27.298 3.856 1.00 0.00 O ATOM 0 H SER A 100 -44.830 24.915 0.888 1.00 0.00 H new ATOM 0 HA SER A 100 -43.419 24.889 3.416 1.00 0.00 H new ATOM 0 HB2 SER A 100 -44.049 26.900 1.836 1.00 0.00 H new ATOM 0 HB3 SER A 100 -45.621 26.803 2.604 1.00 0.00 H new ATOM 0 HG SER A 100 -44.192 28.258 3.710 1.00 0.00 H new ATOM 1597 N ASN A 101 -45.090 23.788 4.859 1.00 0.00 N ATOM 1598 CA ASN A 101 -46.050 23.201 5.788 1.00 0.00 C ATOM 1599 C ASN A 101 -45.646 23.476 7.233 1.00 0.00 C ATOM 1600 O ASN A 101 -44.775 22.801 7.784 1.00 0.00 O ATOM 1601 CB ASN A 101 -46.161 21.693 5.554 1.00 0.00 C ATOM 1602 CG ASN A 101 -47.601 21.221 5.491 1.00 0.00 C ATOM 1603 OD1 ASN A 101 -48.297 21.446 4.501 1.00 0.00 O ATOM 1604 ND2 ASN A 101 -48.055 20.563 6.552 1.00 0.00 N ATOM 0 H ASN A 101 -44.114 23.588 5.079 1.00 0.00 H new ATOM 0 HA ASN A 101 -47.021 23.661 5.608 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -45.656 21.435 4.623 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -45.643 21.165 6.355 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -49.016 20.222 6.568 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -47.442 20.399 7.351 1.00 0.00 H new ATOM 1611 N MET A 102 -46.282 24.472 7.843 1.00 0.00 N ATOM 1612 CA MET A 102 -45.988 24.835 9.223 1.00 0.00 C ATOM 1613 C MET A 102 -47.207 25.465 9.891 1.00 0.00 C ATOM 1614 O MET A 102 -47.938 26.236 9.271 1.00 0.00 O ATOM 1615 CB MET A 102 -44.803 25.804 9.274 1.00 0.00 C ATOM 1616 CG MET A 102 -43.603 25.254 10.029 1.00 0.00 C ATOM 1617 SD MET A 102 -42.136 26.286 9.846 1.00 0.00 S ATOM 1618 CE MET A 102 -40.952 25.086 9.240 1.00 0.00 C ATOM 0 H MET A 102 -47.004 25.041 7.402 1.00 0.00 H new ATOM 0 HA MET A 102 -45.729 23.926 9.766 1.00 0.00 H new ATOM 0 HB2 MET A 102 -44.501 26.050 8.256 1.00 0.00 H new ATOM 0 HB3 MET A 102 -45.124 26.733 9.744 1.00 0.00 H new ATOM 0 HG2 MET A 102 -43.852 25.168 11.087 1.00 0.00 H new ATOM 0 HG3 MET A 102 -43.382 24.249 9.670 1.00 0.00 H new ATOM 0 HE1 MET A 102 -39.991 25.573 9.078 1.00 0.00 H new ATOM 0 HE2 MET A 102 -40.835 24.288 9.973 1.00 0.00 H new ATOM 0 HE3 MET A 102 -41.309 24.665 8.300 1.00 0.00 H new ATOM 1628 N GLU A 103 -47.419 25.127 11.160 1.00 0.00 N ATOM 1629 CA GLU A 103 -48.550 25.659 11.914 1.00 0.00 C ATOM 1630 C GLU A 103 -48.079 26.652 12.972 1.00 0.00 C ATOM 1631 O GLU A 103 -48.814 27.565 13.349 1.00 0.00 O ATOM 1632 CB GLU A 103 -49.329 24.519 12.574 1.00 0.00 C ATOM 1633 CG GLU A 103 -50.565 24.096 11.796 1.00 0.00 C ATOM 1634 CD GLU A 103 -51.671 23.582 12.695 1.00 0.00 C ATOM 1635 OE1 GLU A 103 -51.715 23.988 13.875 1.00 0.00 O ATOM 1636 OE2 GLU A 103 -52.494 22.773 12.218 1.00 0.00 O ATOM 0 H GLU A 103 -46.823 24.488 11.687 1.00 0.00 H new ATOM 0 HA GLU A 103 -49.206 26.183 11.219 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -48.670 23.658 12.689 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -49.628 24.827 13.576 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -50.935 24.944 11.219 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -50.292 23.319 11.081 1.00 0.00 H new ATOM 1643 N ASN A 104 -46.852 26.469 13.449 1.00 0.00 N ATOM 1644 CA ASN A 104 -46.287 27.349 14.464 1.00 0.00 C ATOM 1645 C ASN A 104 -47.107 27.298 15.750 1.00 0.00 C ATOM 1646 O ASN A 104 -48.176 27.899 15.840 1.00 0.00 O ATOM 1647 CB ASN A 104 -46.220 28.787 13.946 1.00 0.00 C ATOM 1648 CG ASN A 104 -45.267 28.936 12.776 1.00 0.00 C ATOM 1649 OD1 ASN A 104 -45.668 29.323 11.679 1.00 0.00 O ATOM 1650 ND2 ASN A 104 -43.995 28.626 13.006 1.00 0.00 N ATOM 0 H ASN A 104 -46.230 25.719 13.148 1.00 0.00 H new ATOM 0 HA ASN A 104 -45.277 27.002 14.684 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -47.217 29.108 13.643 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -45.905 29.447 14.754 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -43.307 28.705 12.257 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -43.707 28.309 13.932 1.00 0.00 H new ATOM 1657 N ASN A 105 -46.598 26.572 16.741 1.00 0.00 N ATOM 1658 CA ASN A 105 -47.283 26.442 18.021 1.00 0.00 C ATOM 1659 C ASN A 105 -46.283 26.224 19.152 1.00 0.00 C ATOM 1660 O ASN A 105 -45.107 25.953 18.911 1.00 0.00 O ATOM 1661 CB ASN A 105 -48.281 25.282 17.971 1.00 0.00 C ATOM 1662 CG ASN A 105 -49.636 25.661 18.536 1.00 0.00 C ATOM 1663 OD1 ASN A 105 -50.100 26.788 18.363 1.00 0.00 O ATOM 1664 ND2 ASN A 105 -50.279 24.718 19.217 1.00 0.00 N ATOM 0 H ASN A 105 -45.715 26.066 16.682 1.00 0.00 H new ATOM 0 HA ASN A 105 -47.824 27.368 18.214 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -48.400 24.953 16.939 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -47.880 24.437 18.531 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -51.195 24.915 19.621 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -49.857 23.797 19.336 1.00 0.00 H new ATOM 1671 N GLU A 106 -46.760 26.344 20.388 1.00 0.00 N ATOM 1672 CA GLU A 106 -45.907 26.160 21.556 1.00 0.00 C ATOM 1673 C GLU A 106 -44.768 27.173 21.564 1.00 0.00 C ATOM 1674 O GLU A 106 -43.777 26.943 22.290 1.00 0.00 O ATOM 1675 CB GLU A 106 -45.342 24.739 21.583 1.00 0.00 C ATOM 1676 CG GLU A 106 -46.396 23.661 21.390 1.00 0.00 C ATOM 1677 CD GLU A 106 -45.792 22.294 21.134 1.00 0.00 C ATOM 1678 OE1 GLU A 106 -44.796 21.951 21.806 1.00 0.00 O ATOM 1679 OE2 GLU A 106 -46.314 21.566 20.265 1.00 0.00 O ATOM 1680 OXT GLU A 106 -44.875 28.187 20.843 1.00 0.00 O ATOM 0 H GLU A 106 -47.731 26.568 20.605 1.00 0.00 H new ATOM 0 HA GLU A 106 -46.515 26.318 22.447 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -44.588 24.642 20.802 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -44.837 24.576 22.535 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -47.029 23.614 22.276 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -47.039 23.933 20.553 1.00 0.00 H new TER 1687 GLU A 106