USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 691 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 75 ASN : amide:sc= -0.146 K(o=0.8,f=-3!) USER MOD Set 1.2: A 90 SER OG : rot 85:sc= 0.947 USER MOD Set 2.1: A 30 SER OG : rot -166:sc= -2.14! USER MOD Set 2.2: A 78 GLN :FLIP amide:sc= -4.44! C(o=-7.3!,f=-6.6!) USER MOD Set 3.1: A 40 TYR OH : rot 134:sc= 0.18! USER MOD Set 3.2: A 50 GLN : amide:sc= -4.05! C(o=-3.9!,f=-13!) USER MOD Set 4.1: A 21 SER OG : rot -55:sc= -2.85! USER MOD Set 4.2: A 62 ASN : amide:sc= -0.973 K(o=-3.8,f=-9.4!) USER MOD Set 5.1: A 10 THR OG1 : rot 180:sc= -0.141 USER MOD Set 5.2: A 11 SER OG : rot 180:sc= 0.0354 USER MOD Single : A 1 GLY N :NH3+ -116:sc= -0.808 (180deg=-2.91!) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS :FLIP no HD1:sc= -7.04! C(o=-8.2!,f=-7!) USER MOD Single : A 13 SER OG : rot -24:sc= -0.139! USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot -62:sc= -0.0216! USER MOD Single : A 20 SER OG : rot 71:sc= -2.75! USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0.139 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.00254 USER MOD Single : A 34 SER OG : rot -140:sc= -0.44 USER MOD Single : A 43 SER OG : rot 100:sc= -1.6 USER MOD Single : A 51 TYR OH : rot 76:sc= 1.11 USER MOD Single : A 56 SER OG : rot 170:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 180:sc= -0.916 USER MOD Single : A 77 TYR OH : rot 180:sc= -0.204 USER MOD Single : A 80 SER OG : rot 59:sc= -4.25! USER MOD Single : A 85 GLN :FLIP amide:sc= -4.12! C(o=-9.7!,f=-4.1!) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot -170:sc= 0 USER MOD Single : A 93 GLN :FLIP amide:sc= -0.0158 F(o=-1.5!,f=-0.016) USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.0761 USER MOD Single : A 95 THR OG1 : rot -149:sc= -2.48! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.656 -29.119 -24.161 1.00 0.00 N ATOM 2 CA GLY A 1 -8.259 -27.842 -23.687 1.00 0.00 C ATOM 3 C GLY A 1 -9.329 -28.141 -22.640 1.00 0.00 C ATOM 4 O GLY A 1 -10.505 -27.839 -22.838 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.650 -29.146 -23.900 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.150 -29.921 -23.720 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.747 -29.183 -25.195 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.488 -27.200 -23.261 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.697 -27.301 -24.526 1.00 0.00 H new ATOM 10 N PRO A 2 -8.940 -28.725 -21.537 1.00 0.00 N ATOM 11 CA PRO A 2 -9.885 -29.071 -20.437 1.00 0.00 C ATOM 12 C PRO A 2 -10.636 -27.844 -19.927 1.00 0.00 C ATOM 13 O PRO A 2 -10.118 -26.727 -19.962 1.00 0.00 O ATOM 14 CB PRO A 2 -8.996 -29.669 -19.339 1.00 0.00 C ATOM 15 CG PRO A 2 -7.588 -29.321 -19.706 1.00 0.00 C ATOM 16 CD PRO A 2 -7.563 -29.117 -21.218 1.00 0.00 C ATOM 0 HA PRO A 2 -10.658 -29.763 -20.771 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -9.256 -29.261 -18.362 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -9.127 -30.749 -19.278 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -7.266 -28.417 -19.189 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -6.904 -30.117 -19.412 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -6.850 -28.345 -21.506 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -7.275 -30.029 -21.741 1.00 0.00 H new ATOM 24 N LEU A 3 -11.860 -28.059 -19.459 1.00 0.00 N ATOM 25 CA LEU A 3 -12.676 -26.963 -18.951 1.00 0.00 C ATOM 26 C LEU A 3 -12.039 -26.340 -17.712 1.00 0.00 C ATOM 27 O LEU A 3 -12.695 -25.615 -16.964 1.00 0.00 O ATOM 28 CB LEU A 3 -14.080 -27.470 -18.610 1.00 0.00 C ATOM 29 CG LEU A 3 -15.078 -26.946 -19.645 1.00 0.00 C ATOM 30 CD1 LEU A 3 -15.221 -25.430 -19.497 1.00 0.00 C ATOM 31 CD2 LEU A 3 -14.573 -27.274 -21.053 1.00 0.00 C ATOM 0 H LEU A 3 -12.307 -28.975 -19.421 1.00 0.00 H new ATOM 0 HA LEU A 3 -12.744 -26.200 -19.727 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -14.091 -28.560 -18.598 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -14.366 -27.137 -17.612 1.00 0.00 H new ATOM 0 HG LEU A 3 -16.047 -27.420 -19.485 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -15.932 -25.058 -20.235 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -15.581 -25.195 -18.495 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -14.252 -24.956 -19.655 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -15.284 -26.901 -21.791 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -13.604 -26.801 -21.211 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -14.472 -28.354 -21.161 1.00 0.00 H new ATOM 43 N GLY A 4 -10.757 -26.624 -17.499 1.00 0.00 N ATOM 44 CA GLY A 4 -10.047 -26.079 -16.347 1.00 0.00 C ATOM 45 C GLY A 4 -10.104 -24.555 -16.351 1.00 0.00 C ATOM 46 O GLY A 4 -9.934 -23.920 -17.392 1.00 0.00 O ATOM 0 H GLY A 4 -10.193 -27.223 -18.103 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.488 -26.462 -15.427 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.008 -26.409 -16.364 1.00 0.00 H new ATOM 50 N SER A 5 -10.351 -23.974 -15.182 1.00 0.00 N ATOM 51 CA SER A 5 -10.438 -22.522 -15.062 1.00 0.00 C ATOM 52 C SER A 5 -9.061 -21.901 -14.842 1.00 0.00 C ATOM 53 O SER A 5 -8.933 -20.680 -14.760 1.00 0.00 O ATOM 54 CB SER A 5 -11.356 -22.155 -13.896 1.00 0.00 C ATOM 55 OG SER A 5 -10.703 -22.462 -12.671 1.00 0.00 O ATOM 0 H SER A 5 -10.494 -24.482 -14.309 1.00 0.00 H new ATOM 0 HA SER A 5 -10.846 -22.129 -15.993 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.605 -21.094 -13.933 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.294 -22.705 -13.969 1.00 0.00 H new ATOM 0 HG SER A 5 -11.288 -22.227 -11.921 1.00 0.00 H new ATOM 61 N HIS A 6 -8.036 -22.742 -14.740 1.00 0.00 N ATOM 62 CA HIS A 6 -6.679 -22.247 -14.520 1.00 0.00 C ATOM 63 C HIS A 6 -6.720 -20.935 -13.744 1.00 0.00 C ATOM 64 O HIS A 6 -6.182 -19.923 -14.192 1.00 0.00 O ATOM 65 CB HIS A 6 -5.967 -22.026 -15.858 1.00 0.00 C ATOM 66 CG HIS A 6 -6.654 -22.807 -16.944 1.00 0.00 C ATOM 67 ND1 HIS A 6 -7.256 -24.041 -16.950 1.00 0.00 N flip ATOM 68 CD2 HIS A 6 -6.776 -22.320 -18.235 1.00 0.00 C flip ATOM 69 CE1 HIS A 6 -7.745 -24.317 -18.224 1.00 0.00 C flip ATOM 70 NE2 HIS A 6 -7.429 -23.247 -18.959 1.00 0.00 N flip ATOM 0 H HIS A 6 -8.116 -23.757 -14.805 1.00 0.00 H new ATOM 0 HA HIS A 6 -6.130 -22.992 -13.944 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -5.966 -20.965 -16.107 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -4.925 -22.336 -15.780 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -6.413 -21.369 -18.595 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -8.267 -25.205 -18.548 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -7.655 -23.145 -19.948 1.00 0.00 H new ATOM 79 N LEU A 7 -7.373 -20.956 -12.586 1.00 0.00 N ATOM 80 CA LEU A 7 -7.491 -19.759 -11.761 1.00 0.00 C ATOM 81 C LEU A 7 -6.125 -19.131 -11.504 1.00 0.00 C ATOM 82 O LEU A 7 -5.610 -19.172 -10.387 1.00 0.00 O ATOM 83 CB LEU A 7 -8.152 -20.104 -10.426 1.00 0.00 C ATOM 84 CG LEU A 7 -7.374 -21.230 -9.745 1.00 0.00 C ATOM 85 CD1 LEU A 7 -7.128 -20.866 -8.280 1.00 0.00 C ATOM 86 CD2 LEU A 7 -8.182 -22.527 -9.821 1.00 0.00 C ATOM 0 H LEU A 7 -7.826 -21.784 -12.199 1.00 0.00 H new ATOM 0 HA LEU A 7 -8.108 -19.040 -12.300 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.177 -19.224 -9.783 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -9.186 -20.409 -10.588 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.418 -21.368 -10.250 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.573 -21.669 -7.794 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.552 -19.942 -8.226 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -8.084 -20.727 -7.774 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.628 -23.330 -9.336 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.138 -22.390 -9.317 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -8.356 -22.786 -10.865 1.00 0.00 H new ATOM 98 N VAL A 8 -5.551 -18.537 -12.544 1.00 0.00 N ATOM 99 CA VAL A 8 -4.252 -17.888 -12.424 1.00 0.00 C ATOM 100 C VAL A 8 -4.414 -16.378 -12.562 1.00 0.00 C ATOM 101 O VAL A 8 -3.434 -15.634 -12.592 1.00 0.00 O ATOM 102 CB VAL A 8 -3.300 -18.407 -13.503 1.00 0.00 C ATOM 103 CG1 VAL A 8 -3.203 -19.931 -13.408 1.00 0.00 C ATOM 104 CG2 VAL A 8 -3.830 -18.015 -14.886 1.00 0.00 C ATOM 0 H VAL A 8 -5.963 -18.492 -13.476 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.833 -18.117 -11.444 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.313 -17.970 -13.355 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.525 -20.301 -14.177 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.825 -20.211 -12.425 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -4.191 -20.368 -13.555 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.151 -18.385 -15.654 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -4.818 -18.451 -15.034 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -3.899 -16.929 -14.955 1.00 0.00 H new ATOM 114 N ALA A 9 -5.666 -15.937 -12.642 1.00 0.00 N ATOM 115 CA ALA A 9 -5.965 -14.517 -12.775 1.00 0.00 C ATOM 116 C ALA A 9 -4.940 -13.826 -13.667 1.00 0.00 C ATOM 117 O ALA A 9 -4.768 -14.188 -14.830 1.00 0.00 O ATOM 118 CB ALA A 9 -5.975 -13.855 -11.397 1.00 0.00 C ATOM 0 H ALA A 9 -6.487 -16.542 -12.617 1.00 0.00 H new ATOM 0 HA ALA A 9 -6.948 -14.418 -13.235 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -6.199 -12.794 -11.505 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.735 -14.325 -10.773 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -4.998 -13.974 -10.929 1.00 0.00 H new ATOM 124 N THR A 10 -4.267 -12.825 -13.112 1.00 0.00 N ATOM 125 CA THR A 10 -3.265 -12.076 -13.862 1.00 0.00 C ATOM 126 C THR A 10 -1.854 -12.487 -13.453 1.00 0.00 C ATOM 127 O THR A 10 -1.667 -13.275 -12.526 1.00 0.00 O ATOM 128 CB THR A 10 -3.447 -10.577 -13.616 1.00 0.00 C ATOM 129 OG1 THR A 10 -2.600 -9.851 -14.494 1.00 0.00 O ATOM 130 CG2 THR A 10 -3.088 -10.248 -12.166 1.00 0.00 C ATOM 0 H THR A 10 -4.396 -12.514 -12.149 1.00 0.00 H new ATOM 0 HA THR A 10 -3.399 -12.297 -14.921 1.00 0.00 H new ATOM 0 HB THR A 10 -4.485 -10.300 -13.800 1.00 0.00 H new ATOM 0 HG1 THR A 10 -2.716 -8.890 -14.340 1.00 0.00 H new ATOM 0 HG21 THR A 10 -3.218 -9.180 -11.992 1.00 0.00 H new ATOM 0 HG22 THR A 10 -3.739 -10.807 -11.494 1.00 0.00 H new ATOM 0 HG23 THR A 10 -2.050 -10.523 -11.977 1.00 0.00 H new ATOM 138 N SER A 11 -0.863 -11.938 -14.149 1.00 0.00 N ATOM 139 CA SER A 11 0.531 -12.242 -13.851 1.00 0.00 C ATOM 140 C SER A 11 0.865 -11.826 -12.422 1.00 0.00 C ATOM 141 O SER A 11 -0.031 -11.605 -11.609 1.00 0.00 O ATOM 142 CB SER A 11 1.445 -11.504 -14.831 1.00 0.00 C ATOM 143 OG SER A 11 0.961 -10.180 -15.020 1.00 0.00 O ATOM 0 H SER A 11 -0.999 -11.284 -14.919 1.00 0.00 H new ATOM 0 HA SER A 11 0.687 -13.316 -13.953 1.00 0.00 H new ATOM 0 HB2 SER A 11 2.465 -11.479 -14.447 1.00 0.00 H new ATOM 0 HB3 SER A 11 1.476 -12.031 -15.784 1.00 0.00 H new ATOM 0 HG SER A 11 1.546 -9.704 -15.646 1.00 0.00 H new ATOM 149 N GLU A 12 2.155 -11.725 -12.116 1.00 0.00 N ATOM 150 CA GLU A 12 2.574 -11.340 -10.774 1.00 0.00 C ATOM 151 C GLU A 12 1.988 -9.983 -10.399 1.00 0.00 C ATOM 152 O GLU A 12 1.629 -9.749 -9.246 1.00 0.00 O ATOM 153 CB GLU A 12 4.101 -11.270 -10.697 1.00 0.00 C ATOM 154 CG GLU A 12 4.691 -12.668 -10.890 1.00 0.00 C ATOM 155 CD GLU A 12 6.206 -12.617 -10.730 1.00 0.00 C ATOM 156 OE1 GLU A 12 6.740 -11.520 -10.683 1.00 0.00 O ATOM 157 OE2 GLU A 12 6.810 -13.674 -10.656 1.00 0.00 O ATOM 0 H GLU A 12 2.918 -11.902 -12.769 1.00 0.00 H new ATOM 0 HA GLU A 12 2.209 -12.092 -10.075 1.00 0.00 H new ATOM 0 HB2 GLU A 12 4.483 -10.595 -11.463 1.00 0.00 H new ATOM 0 HB3 GLU A 12 4.408 -10.865 -9.733 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.262 -13.357 -10.162 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.433 -13.048 -11.879 1.00 0.00 H new ATOM 164 N SER A 13 1.890 -9.092 -11.381 1.00 0.00 N ATOM 165 CA SER A 13 1.342 -7.761 -11.142 1.00 0.00 C ATOM 166 C SER A 13 2.173 -7.002 -10.107 1.00 0.00 C ATOM 167 O SER A 13 2.105 -5.776 -10.025 1.00 0.00 O ATOM 168 CB SER A 13 -0.103 -7.871 -10.655 1.00 0.00 C ATOM 169 OG SER A 13 -0.111 -8.288 -9.296 1.00 0.00 O ATOM 0 H SER A 13 2.181 -9.265 -12.343 1.00 0.00 H new ATOM 0 HA SER A 13 1.372 -7.210 -12.082 1.00 0.00 H new ATOM 0 HB2 SER A 13 -0.607 -6.910 -10.755 1.00 0.00 H new ATOM 0 HB3 SER A 13 -0.652 -8.584 -11.269 1.00 0.00 H new ATOM 0 HG SER A 13 0.721 -8.765 -9.095 1.00 0.00 H new ATOM 175 N VAL A 14 2.952 -7.735 -9.316 1.00 0.00 N ATOM 176 CA VAL A 14 3.786 -7.117 -8.293 1.00 0.00 C ATOM 177 C VAL A 14 5.255 -7.163 -8.695 1.00 0.00 C ATOM 178 O VAL A 14 5.763 -8.208 -9.101 1.00 0.00 O ATOM 179 CB VAL A 14 3.607 -7.848 -6.963 1.00 0.00 C ATOM 180 CG1 VAL A 14 4.487 -7.194 -5.896 1.00 0.00 C ATOM 181 CG2 VAL A 14 2.139 -7.775 -6.531 1.00 0.00 C ATOM 0 H VAL A 14 3.022 -8.751 -9.364 1.00 0.00 H new ATOM 0 HA VAL A 14 3.479 -6.076 -8.187 1.00 0.00 H new ATOM 0 HB VAL A 14 3.898 -8.892 -7.082 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.358 -7.716 -4.948 1.00 0.00 H new ATOM 0 HG12 VAL A 14 5.532 -7.249 -6.202 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.199 -6.150 -5.777 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.013 -8.297 -5.582 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.846 -6.732 -6.413 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.513 -8.245 -7.290 1.00 0.00 H new ATOM 191 N THR A 15 5.936 -6.028 -8.576 1.00 0.00 N ATOM 192 CA THR A 15 7.348 -5.963 -8.926 1.00 0.00 C ATOM 193 C THR A 15 8.212 -5.807 -7.679 1.00 0.00 C ATOM 194 O THR A 15 9.257 -6.443 -7.557 1.00 0.00 O ATOM 195 CB THR A 15 7.611 -4.784 -9.862 1.00 0.00 C ATOM 196 OG1 THR A 15 7.547 -5.224 -11.211 1.00 0.00 O ATOM 197 CG2 THR A 15 9.000 -4.219 -9.566 1.00 0.00 C ATOM 0 H THR A 15 5.537 -5.150 -8.243 1.00 0.00 H new ATOM 0 HA THR A 15 7.608 -6.895 -9.427 1.00 0.00 H new ATOM 0 HB THR A 15 6.859 -4.010 -9.706 1.00 0.00 H new ATOM 0 HG1 THR A 15 7.714 -4.467 -11.810 1.00 0.00 H new ATOM 0 HG21 THR A 15 9.199 -3.377 -10.228 1.00 0.00 H new ATOM 0 HG22 THR A 15 9.043 -3.884 -8.530 1.00 0.00 H new ATOM 0 HG23 THR A 15 9.750 -4.993 -9.728 1.00 0.00 H new ATOM 205 N GLU A 16 7.789 -4.937 -6.770 1.00 0.00 N ATOM 206 CA GLU A 16 8.556 -4.707 -5.556 1.00 0.00 C ATOM 207 C GLU A 16 8.375 -5.881 -4.615 1.00 0.00 C ATOM 208 O GLU A 16 7.430 -5.927 -3.826 1.00 0.00 O ATOM 209 CB GLU A 16 8.104 -3.411 -4.883 1.00 0.00 C ATOM 210 CG GLU A 16 8.620 -2.217 -5.689 1.00 0.00 C ATOM 211 CD GLU A 16 7.840 -2.086 -6.991 1.00 0.00 C ATOM 212 OE1 GLU A 16 6.772 -2.668 -7.078 1.00 0.00 O ATOM 213 OE2 GLU A 16 8.324 -1.411 -7.883 1.00 0.00 O ATOM 0 H GLU A 16 6.933 -4.388 -6.849 1.00 0.00 H new ATOM 0 HA GLU A 16 9.612 -4.612 -5.810 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.016 -3.380 -4.821 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.483 -3.366 -3.862 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.521 -1.303 -5.103 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.681 -2.345 -5.903 1.00 0.00 H new ATOM 220 N ILE A 17 9.284 -6.840 -4.720 1.00 0.00 N ATOM 221 CA ILE A 17 9.219 -8.030 -3.894 1.00 0.00 C ATOM 222 C ILE A 17 10.392 -8.065 -2.916 1.00 0.00 C ATOM 223 O ILE A 17 10.327 -8.721 -1.878 1.00 0.00 O ATOM 224 CB ILE A 17 9.255 -9.270 -4.789 1.00 0.00 C ATOM 225 CG1 ILE A 17 8.306 -9.066 -5.977 1.00 0.00 C ATOM 226 CG2 ILE A 17 8.808 -10.494 -3.985 1.00 0.00 C ATOM 227 CD1 ILE A 17 8.315 -10.317 -6.858 1.00 0.00 C ATOM 0 H ILE A 17 10.072 -6.815 -5.368 1.00 0.00 H new ATOM 0 HA ILE A 17 8.291 -8.016 -3.323 1.00 0.00 H new ATOM 0 HB ILE A 17 10.270 -9.427 -5.154 1.00 0.00 H new ATOM 0 HG12 ILE A 17 7.296 -8.868 -5.619 1.00 0.00 H new ATOM 0 HG13 ILE A 17 8.615 -8.197 -6.558 1.00 0.00 H new ATOM 0 HG21 ILE A 17 8.834 -11.378 -4.623 1.00 0.00 H new ATOM 0 HG22 ILE A 17 9.479 -10.638 -3.138 1.00 0.00 H new ATOM 0 HG23 ILE A 17 7.792 -10.339 -3.621 1.00 0.00 H new ATOM 0 HD11 ILE A 17 7.641 -10.172 -7.702 1.00 0.00 H new ATOM 0 HD12 ILE A 17 9.325 -10.495 -7.227 1.00 0.00 H new ATOM 0 HD13 ILE A 17 7.985 -11.176 -6.274 1.00 0.00 H new ATOM 239 N THR A 18 11.465 -7.356 -3.259 1.00 0.00 N ATOM 240 CA THR A 18 12.646 -7.317 -2.402 1.00 0.00 C ATOM 241 C THR A 18 12.233 -7.418 -0.940 1.00 0.00 C ATOM 242 O THR A 18 12.440 -8.444 -0.293 1.00 0.00 O ATOM 243 CB THR A 18 13.415 -6.014 -2.629 1.00 0.00 C ATOM 244 OG1 THR A 18 12.650 -4.922 -2.135 1.00 0.00 O ATOM 245 CG2 THR A 18 13.670 -5.826 -4.125 1.00 0.00 C ATOM 0 H THR A 18 11.541 -6.806 -4.115 1.00 0.00 H new ATOM 0 HA THR A 18 13.289 -8.161 -2.652 1.00 0.00 H new ATOM 0 HB THR A 18 14.368 -6.057 -2.103 1.00 0.00 H new ATOM 0 HG1 THR A 18 11.807 -4.862 -2.631 1.00 0.00 H new ATOM 0 HG21 THR A 18 14.218 -4.898 -4.287 1.00 0.00 H new ATOM 0 HG22 THR A 18 14.256 -6.664 -4.502 1.00 0.00 H new ATOM 0 HG23 THR A 18 12.718 -5.782 -4.654 1.00 0.00 H new ATOM 253 N ALA A 19 11.631 -6.350 -0.436 1.00 0.00 N ATOM 254 CA ALA A 19 11.167 -6.325 0.944 1.00 0.00 C ATOM 255 C ALA A 19 9.820 -7.022 1.036 1.00 0.00 C ATOM 256 O ALA A 19 9.013 -6.731 1.920 1.00 0.00 O ATOM 257 CB ALA A 19 11.039 -4.881 1.433 1.00 0.00 C ATOM 0 H ALA A 19 11.453 -5.493 -0.959 1.00 0.00 H new ATOM 0 HA ALA A 19 11.890 -6.844 1.574 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.691 -4.876 2.466 1.00 0.00 H new ATOM 0 HB2 ALA A 19 12.010 -4.390 1.375 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.324 -4.347 0.807 1.00 0.00 H new ATOM 263 N SER A 20 9.582 -7.946 0.108 1.00 0.00 N ATOM 264 CA SER A 20 8.329 -8.683 0.083 1.00 0.00 C ATOM 265 C SER A 20 7.165 -7.722 -0.108 1.00 0.00 C ATOM 266 O SER A 20 6.024 -8.032 0.231 1.00 0.00 O ATOM 267 CB SER A 20 8.160 -9.453 1.392 1.00 0.00 C ATOM 268 OG SER A 20 9.022 -8.901 2.377 1.00 0.00 O ATOM 0 H SER A 20 10.238 -8.198 -0.631 1.00 0.00 H new ATOM 0 HA SER A 20 8.344 -9.388 -0.748 1.00 0.00 H new ATOM 0 HB2 SER A 20 7.124 -9.399 1.728 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.391 -10.507 1.239 1.00 0.00 H new ATOM 0 HG SER A 20 8.685 -8.023 2.651 1.00 0.00 H new ATOM 274 N SER A 21 7.474 -6.548 -0.645 1.00 0.00 N ATOM 275 CA SER A 21 6.468 -5.517 -0.872 1.00 0.00 C ATOM 276 C SER A 21 5.383 -5.987 -1.832 1.00 0.00 C ATOM 277 O SER A 21 5.494 -7.040 -2.459 1.00 0.00 O ATOM 278 CB SER A 21 7.128 -4.278 -1.475 1.00 0.00 C ATOM 279 OG SER A 21 6.663 -4.108 -2.806 1.00 0.00 O ATOM 0 H SER A 21 8.417 -6.285 -0.932 1.00 0.00 H new ATOM 0 HA SER A 21 6.014 -5.290 0.092 1.00 0.00 H new ATOM 0 HB2 SER A 21 6.891 -3.397 -0.878 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.212 -4.387 -1.466 1.00 0.00 H new ATOM 0 HG SER A 21 6.825 -4.929 -3.316 1.00 0.00 H new ATOM 285 N PHE A 22 4.350 -5.163 -1.957 1.00 0.00 N ATOM 286 CA PHE A 22 3.250 -5.448 -2.864 1.00 0.00 C ATOM 287 C PHE A 22 2.880 -4.197 -3.636 1.00 0.00 C ATOM 288 O PHE A 22 2.909 -3.092 -3.096 1.00 0.00 O ATOM 289 CB PHE A 22 1.973 -5.866 -2.122 1.00 0.00 C ATOM 290 CG PHE A 22 2.122 -7.150 -1.344 1.00 0.00 C ATOM 291 CD1 PHE A 22 2.834 -8.242 -1.860 1.00 0.00 C ATOM 292 CD2 PHE A 22 1.495 -7.249 -0.100 1.00 0.00 C ATOM 293 CE1 PHE A 22 2.916 -9.428 -1.123 1.00 0.00 C ATOM 294 CE2 PHE A 22 1.582 -8.432 0.638 1.00 0.00 C ATOM 295 CZ PHE A 22 2.291 -9.522 0.127 1.00 0.00 C ATOM 0 H PHE A 22 4.253 -4.290 -1.439 1.00 0.00 H new ATOM 0 HA PHE A 22 3.595 -6.256 -3.509 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.682 -5.068 -1.439 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.164 -5.979 -2.843 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.317 -8.168 -2.823 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.941 -6.409 0.293 1.00 0.00 H new ATOM 0 HE1 PHE A 22 3.462 -10.272 -1.518 1.00 0.00 H new ATOM 0 HE2 PHE A 22 1.102 -8.504 1.603 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.357 -10.438 0.696 1.00 0.00 H new ATOM 305 N VAL A 23 2.467 -4.381 -4.875 1.00 0.00 N ATOM 306 CA VAL A 23 2.018 -3.263 -5.675 1.00 0.00 C ATOM 307 C VAL A 23 0.556 -3.496 -6.009 1.00 0.00 C ATOM 308 O VAL A 23 0.226 -4.312 -6.870 1.00 0.00 O ATOM 309 CB VAL A 23 2.847 -3.131 -6.951 1.00 0.00 C ATOM 310 CG1 VAL A 23 2.146 -2.165 -7.905 1.00 0.00 C ATOM 311 CG2 VAL A 23 4.232 -2.583 -6.603 1.00 0.00 C ATOM 0 H VAL A 23 2.434 -5.286 -5.344 1.00 0.00 H new ATOM 0 HA VAL A 23 2.140 -2.333 -5.119 1.00 0.00 H new ATOM 0 HB VAL A 23 2.951 -4.107 -7.425 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.733 -2.066 -8.818 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.156 -2.549 -8.149 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.049 -1.189 -7.429 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.825 -2.488 -7.513 1.00 0.00 H new ATOM 0 HG22 VAL A 23 4.129 -1.605 -6.134 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.731 -3.265 -5.914 1.00 0.00 H new ATOM 321 N VAL A 24 -0.319 -2.801 -5.297 1.00 0.00 N ATOM 322 CA VAL A 24 -1.748 -2.967 -5.496 1.00 0.00 C ATOM 323 C VAL A 24 -2.350 -1.749 -6.174 1.00 0.00 C ATOM 324 O VAL A 24 -2.064 -0.610 -5.805 1.00 0.00 O ATOM 325 CB VAL A 24 -2.429 -3.198 -4.145 1.00 0.00 C ATOM 326 CG1 VAL A 24 -3.948 -3.222 -4.335 1.00 0.00 C ATOM 327 CG2 VAL A 24 -1.963 -4.538 -3.566 1.00 0.00 C ATOM 0 H VAL A 24 -0.065 -2.121 -4.581 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.909 -3.830 -6.142 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.164 -2.393 -3.460 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -4.433 -3.387 -3.373 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -4.278 -2.269 -4.749 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -4.216 -4.027 -5.019 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.446 -4.706 -2.603 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -2.229 -5.343 -4.251 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -0.882 -4.520 -3.431 1.00 0.00 H new ATOM 337 N SER A 25 -3.193 -1.999 -7.167 1.00 0.00 N ATOM 338 CA SER A 25 -3.839 -0.922 -7.892 1.00 0.00 C ATOM 339 C SER A 25 -5.345 -1.124 -7.898 1.00 0.00 C ATOM 340 O SER A 25 -5.831 -2.253 -7.834 1.00 0.00 O ATOM 341 CB SER A 25 -3.320 -0.866 -9.327 1.00 0.00 C ATOM 342 OG SER A 25 -3.721 -2.041 -10.018 1.00 0.00 O ATOM 0 H SER A 25 -3.442 -2.935 -7.485 1.00 0.00 H new ATOM 0 HA SER A 25 -3.608 0.020 -7.394 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.710 0.018 -9.832 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.233 -0.782 -9.330 1.00 0.00 H new ATOM 0 HG SER A 25 -3.391 -2.007 -10.940 1.00 0.00 H new ATOM 348 N TRP A 26 -6.077 -0.024 -7.978 1.00 0.00 N ATOM 349 CA TRP A 26 -7.529 -0.089 -7.997 1.00 0.00 C ATOM 350 C TRP A 26 -8.086 0.995 -8.908 1.00 0.00 C ATOM 351 O TRP A 26 -7.332 1.709 -9.570 1.00 0.00 O ATOM 352 CB TRP A 26 -8.079 0.096 -6.584 1.00 0.00 C ATOM 353 CG TRP A 26 -7.552 1.373 -6.014 1.00 0.00 C ATOM 354 CD1 TRP A 26 -8.073 2.600 -6.242 1.00 0.00 C ATOM 355 CD2 TRP A 26 -6.414 1.569 -5.130 1.00 0.00 C ATOM 356 NE1 TRP A 26 -7.325 3.539 -5.553 1.00 0.00 N ATOM 357 CE2 TRP A 26 -6.291 2.951 -4.851 1.00 0.00 C ATOM 358 CE3 TRP A 26 -5.484 0.691 -4.546 1.00 0.00 C ATOM 359 CZ2 TRP A 26 -5.282 3.443 -4.025 1.00 0.00 C ATOM 360 CZ3 TRP A 26 -4.467 1.183 -3.713 1.00 0.00 C ATOM 361 CH2 TRP A 26 -4.367 2.556 -3.451 1.00 0.00 C ATOM 0 H TRP A 26 -5.692 0.919 -8.031 1.00 0.00 H new ATOM 0 HA TRP A 26 -7.832 -1.066 -8.374 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -9.169 0.116 -6.605 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -7.787 -0.745 -5.955 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -8.932 2.813 -6.861 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -7.514 4.541 -5.563 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -5.553 -0.369 -4.740 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -5.208 4.503 -3.830 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 -3.757 0.499 -3.271 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -3.584 2.928 -2.807 1.00 0.00 H new ATOM 372 N VAL A 27 -9.403 1.121 -8.933 1.00 0.00 N ATOM 373 CA VAL A 27 -10.039 2.131 -9.761 1.00 0.00 C ATOM 374 C VAL A 27 -10.903 3.038 -8.901 1.00 0.00 C ATOM 375 O VAL A 27 -11.747 2.565 -8.140 1.00 0.00 O ATOM 376 CB VAL A 27 -10.903 1.461 -10.833 1.00 0.00 C ATOM 377 CG1 VAL A 27 -11.449 2.521 -11.789 1.00 0.00 C ATOM 378 CG2 VAL A 27 -10.056 0.455 -11.615 1.00 0.00 C ATOM 0 H VAL A 27 -10.047 0.542 -8.394 1.00 0.00 H new ATOM 0 HA VAL A 27 -9.266 2.727 -10.246 1.00 0.00 H new ATOM 0 HB VAL A 27 -11.735 0.943 -10.356 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -12.064 2.042 -12.551 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -12.054 3.236 -11.232 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -10.619 3.042 -12.267 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -10.670 -0.022 -12.378 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -9.223 0.973 -12.091 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -9.670 -0.303 -10.934 1.00 0.00 H new ATOM 388 N SER A 28 -10.694 4.342 -9.021 1.00 0.00 N ATOM 389 CA SER A 28 -11.474 5.288 -8.236 1.00 0.00 C ATOM 390 C SER A 28 -12.949 4.897 -8.289 1.00 0.00 C ATOM 391 O SER A 28 -13.496 4.664 -9.367 1.00 0.00 O ATOM 392 CB SER A 28 -11.290 6.702 -8.784 1.00 0.00 C ATOM 393 OG SER A 28 -10.163 6.725 -9.649 1.00 0.00 O ATOM 0 H SER A 28 -10.004 4.763 -9.643 1.00 0.00 H new ATOM 0 HA SER A 28 -11.130 5.266 -7.202 1.00 0.00 H new ATOM 0 HB2 SER A 28 -12.184 7.015 -9.324 1.00 0.00 H new ATOM 0 HB3 SER A 28 -11.149 7.407 -7.965 1.00 0.00 H new ATOM 0 HG SER A 28 -10.042 7.630 -10.005 1.00 0.00 H new ATOM 399 N ALA A 29 -13.580 4.801 -7.124 1.00 0.00 N ATOM 400 CA ALA A 29 -14.985 4.406 -7.062 1.00 0.00 C ATOM 401 C ALA A 29 -15.876 5.557 -6.606 1.00 0.00 C ATOM 402 O ALA A 29 -16.929 5.330 -6.012 1.00 0.00 O ATOM 403 CB ALA A 29 -15.147 3.228 -6.101 1.00 0.00 C ATOM 0 H ALA A 29 -13.149 4.988 -6.219 1.00 0.00 H new ATOM 0 HA ALA A 29 -15.293 4.117 -8.067 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -16.196 2.936 -6.057 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -14.550 2.386 -6.453 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -14.810 3.521 -5.107 1.00 0.00 H new ATOM 409 N SER A 30 -15.460 6.789 -6.880 1.00 0.00 N ATOM 410 CA SER A 30 -16.257 7.941 -6.477 1.00 0.00 C ATOM 411 C SER A 30 -15.829 9.201 -7.221 1.00 0.00 C ATOM 412 O SER A 30 -16.605 10.148 -7.342 1.00 0.00 O ATOM 413 CB SER A 30 -16.113 8.165 -4.973 1.00 0.00 C ATOM 414 OG SER A 30 -17.174 7.504 -4.295 1.00 0.00 O ATOM 0 H SER A 30 -14.594 7.013 -7.369 1.00 0.00 H new ATOM 0 HA SER A 30 -17.298 7.735 -6.726 1.00 0.00 H new ATOM 0 HB2 SER A 30 -15.152 7.784 -4.627 1.00 0.00 H new ATOM 0 HB3 SER A 30 -16.132 9.232 -4.749 1.00 0.00 H new ATOM 0 HG SER A 30 -17.218 7.821 -3.369 1.00 0.00 H new ATOM 420 N ASP A 31 -14.593 9.214 -7.709 1.00 0.00 N ATOM 421 CA ASP A 31 -14.081 10.377 -8.427 1.00 0.00 C ATOM 422 C ASP A 31 -14.072 11.595 -7.511 1.00 0.00 C ATOM 423 O ASP A 31 -13.113 12.368 -7.498 1.00 0.00 O ATOM 424 CB ASP A 31 -14.939 10.661 -9.662 1.00 0.00 C ATOM 425 CG ASP A 31 -14.738 9.561 -10.698 1.00 0.00 C ATOM 426 OD1 ASP A 31 -13.837 8.760 -10.516 1.00 0.00 O ATOM 427 OD2 ASP A 31 -15.488 9.536 -11.662 1.00 0.00 O ATOM 0 H ASP A 31 -13.933 8.441 -7.622 1.00 0.00 H new ATOM 0 HA ASP A 31 -13.061 10.165 -8.749 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -15.990 10.719 -9.380 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -14.670 11.627 -10.088 1.00 0.00 H new ATOM 432 N THR A 32 -15.137 11.750 -6.730 1.00 0.00 N ATOM 433 CA THR A 32 -15.233 12.862 -5.800 1.00 0.00 C ATOM 434 C THR A 32 -14.312 12.614 -4.616 1.00 0.00 C ATOM 435 O THR A 32 -14.292 13.382 -3.653 1.00 0.00 O ATOM 436 CB THR A 32 -16.675 13.012 -5.315 1.00 0.00 C ATOM 437 OG1 THR A 32 -17.130 11.771 -4.794 1.00 0.00 O ATOM 438 CG2 THR A 32 -17.567 13.446 -6.477 1.00 0.00 C ATOM 0 H THR A 32 -15.940 11.121 -6.725 1.00 0.00 H new ATOM 0 HA THR A 32 -14.933 13.781 -6.304 1.00 0.00 H new ATOM 0 HB THR A 32 -16.718 13.769 -4.532 1.00 0.00 H new ATOM 0 HG1 THR A 32 -18.054 11.866 -4.481 1.00 0.00 H new ATOM 0 HG21 THR A 32 -18.594 13.552 -6.127 1.00 0.00 H new ATOM 0 HG22 THR A 32 -17.216 14.401 -6.868 1.00 0.00 H new ATOM 0 HG23 THR A 32 -17.528 12.695 -7.266 1.00 0.00 H new ATOM 446 N VAL A 33 -13.545 11.534 -4.705 1.00 0.00 N ATOM 447 CA VAL A 33 -12.612 11.175 -3.656 1.00 0.00 C ATOM 448 C VAL A 33 -11.595 12.291 -3.459 1.00 0.00 C ATOM 449 O VAL A 33 -11.102 12.869 -4.428 1.00 0.00 O ATOM 450 CB VAL A 33 -11.898 9.877 -4.041 1.00 0.00 C ATOM 451 CG1 VAL A 33 -11.604 9.882 -5.541 1.00 0.00 C ATOM 452 CG2 VAL A 33 -10.587 9.759 -3.268 1.00 0.00 C ATOM 0 H VAL A 33 -13.555 10.892 -5.498 1.00 0.00 H new ATOM 0 HA VAL A 33 -13.154 11.028 -2.722 1.00 0.00 H new ATOM 0 HB VAL A 33 -12.538 9.029 -3.796 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -11.096 8.958 -5.815 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -12.540 9.960 -6.095 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -10.967 10.732 -5.784 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -10.083 8.833 -3.546 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -9.946 10.607 -3.507 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -10.795 9.752 -2.198 1.00 0.00 H new ATOM 462 N SER A 34 -11.287 12.590 -2.204 1.00 0.00 N ATOM 463 CA SER A 34 -10.322 13.641 -1.900 1.00 0.00 C ATOM 464 C SER A 34 -8.942 13.029 -1.715 1.00 0.00 C ATOM 465 O SER A 34 -7.925 13.721 -1.743 1.00 0.00 O ATOM 466 CB SER A 34 -10.738 14.381 -0.628 1.00 0.00 C ATOM 467 OG SER A 34 -11.860 15.209 -0.913 1.00 0.00 O ATOM 0 H SER A 34 -11.685 12.126 -1.388 1.00 0.00 H new ATOM 0 HA SER A 34 -10.293 14.350 -2.727 1.00 0.00 H new ATOM 0 HB2 SER A 34 -10.988 13.667 0.157 1.00 0.00 H new ATOM 0 HB3 SER A 34 -9.910 14.985 -0.257 1.00 0.00 H new ATOM 0 HG SER A 34 -11.763 16.064 -0.445 1.00 0.00 H new ATOM 473 N GLY A 35 -8.926 11.716 -1.534 1.00 0.00 N ATOM 474 CA GLY A 35 -7.684 10.980 -1.354 1.00 0.00 C ATOM 475 C GLY A 35 -7.987 9.510 -1.097 1.00 0.00 C ATOM 476 O GLY A 35 -9.146 9.118 -0.992 1.00 0.00 O ATOM 0 H GLY A 35 -9.765 11.136 -1.508 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.059 11.082 -2.241 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.122 11.396 -0.518 1.00 0.00 H new ATOM 480 N PHE A 36 -6.948 8.703 -0.981 1.00 0.00 N ATOM 481 CA PHE A 36 -7.137 7.283 -0.718 1.00 0.00 C ATOM 482 C PHE A 36 -6.376 6.873 0.529 1.00 0.00 C ATOM 483 O PHE A 36 -5.347 7.456 0.858 1.00 0.00 O ATOM 484 CB PHE A 36 -6.645 6.443 -1.897 1.00 0.00 C ATOM 485 CG PHE A 36 -7.560 6.621 -3.082 1.00 0.00 C ATOM 486 CD1 PHE A 36 -8.669 5.782 -3.243 1.00 0.00 C ATOM 487 CD2 PHE A 36 -7.293 7.618 -4.023 1.00 0.00 C ATOM 488 CE1 PHE A 36 -9.512 5.942 -4.349 1.00 0.00 C ATOM 489 CE2 PHE A 36 -8.135 7.779 -5.128 1.00 0.00 C ATOM 490 CZ PHE A 36 -9.245 6.941 -5.292 1.00 0.00 C ATOM 0 H PHE A 36 -5.975 8.999 -1.063 1.00 0.00 H new ATOM 0 HA PHE A 36 -8.203 7.109 -0.573 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.630 6.738 -2.164 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -6.607 5.391 -1.613 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -8.874 5.012 -2.514 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -6.437 8.264 -3.897 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -10.368 5.295 -4.474 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.929 8.550 -5.855 1.00 0.00 H new ATOM 0 HZ PHE A 36 -9.895 7.066 -6.146 1.00 0.00 H new ATOM 500 N ARG A 37 -6.874 5.857 1.208 1.00 0.00 N ATOM 501 CA ARG A 37 -6.208 5.371 2.400 1.00 0.00 C ATOM 502 C ARG A 37 -6.084 3.861 2.322 1.00 0.00 C ATOM 503 O ARG A 37 -7.075 3.154 2.135 1.00 0.00 O ATOM 504 CB ARG A 37 -6.984 5.767 3.657 1.00 0.00 C ATOM 505 CG ARG A 37 -6.080 5.588 4.881 1.00 0.00 C ATOM 506 CD ARG A 37 -6.808 6.078 6.133 1.00 0.00 C ATOM 507 NE ARG A 37 -7.843 5.129 6.519 1.00 0.00 N ATOM 508 CZ ARG A 37 -8.452 5.217 7.699 1.00 0.00 C ATOM 509 NH1 ARG A 37 -8.126 6.168 8.529 1.00 0.00 N ATOM 510 NH2 ARG A 37 -9.376 4.357 8.023 1.00 0.00 N ATOM 0 H ARG A 37 -7.727 5.357 0.958 1.00 0.00 H new ATOM 0 HA ARG A 37 -5.217 5.820 2.458 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -7.316 6.802 3.583 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -7.878 5.152 3.757 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -5.807 4.539 4.994 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -5.153 6.145 4.746 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -6.097 6.204 6.950 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -7.253 7.055 5.944 1.00 0.00 H new ATOM 0 HE ARG A 37 -8.106 4.384 5.874 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -7.405 6.843 8.274 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -8.592 6.237 9.434 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -9.633 3.615 7.372 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -9.842 4.426 8.928 1.00 0.00 H new ATOM 524 N VAL A 38 -4.864 3.375 2.456 1.00 0.00 N ATOM 525 CA VAL A 38 -4.625 1.941 2.390 1.00 0.00 C ATOM 526 C VAL A 38 -4.224 1.402 3.753 1.00 0.00 C ATOM 527 O VAL A 38 -3.375 1.977 4.433 1.00 0.00 O ATOM 528 CB VAL A 38 -3.529 1.636 1.369 1.00 0.00 C ATOM 529 CG1 VAL A 38 -3.339 0.122 1.261 1.00 0.00 C ATOM 530 CG2 VAL A 38 -3.939 2.194 0.005 1.00 0.00 C ATOM 0 H VAL A 38 -4.030 3.942 2.610 1.00 0.00 H new ATOM 0 HA VAL A 38 -5.549 1.453 2.080 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.595 2.098 1.688 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.558 -0.096 0.533 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.051 -0.279 2.233 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.273 -0.340 0.940 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.159 1.978 -0.726 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.873 1.729 -0.312 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.078 3.273 0.080 1.00 0.00 H new ATOM 540 N GLU A 39 -4.834 0.293 4.148 1.00 0.00 N ATOM 541 CA GLU A 39 -4.521 -0.307 5.433 1.00 0.00 C ATOM 542 C GLU A 39 -4.083 -1.752 5.252 1.00 0.00 C ATOM 543 O GLU A 39 -4.738 -2.526 4.553 1.00 0.00 O ATOM 544 CB GLU A 39 -5.743 -0.266 6.352 1.00 0.00 C ATOM 545 CG GLU A 39 -5.347 -0.762 7.745 1.00 0.00 C ATOM 546 CD GLU A 39 -6.587 -0.900 8.623 1.00 0.00 C ATOM 547 OE1 GLU A 39 -7.671 -0.643 8.126 1.00 0.00 O ATOM 548 OE2 GLU A 39 -6.434 -1.262 9.778 1.00 0.00 O ATOM 0 H GLU A 39 -5.540 -0.203 3.603 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.709 0.263 5.884 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.132 0.750 6.413 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.539 -0.889 5.945 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.838 -1.723 7.667 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.644 -0.065 8.202 1.00 0.00 H new ATOM 555 N TYR A 40 -2.979 -2.117 5.892 1.00 0.00 N ATOM 556 CA TYR A 40 -2.482 -3.480 5.796 1.00 0.00 C ATOM 557 C TYR A 40 -1.962 -3.967 7.141 1.00 0.00 C ATOM 558 O TYR A 40 -1.260 -3.248 7.851 1.00 0.00 O ATOM 559 CB TYR A 40 -1.384 -3.574 4.734 1.00 0.00 C ATOM 560 CG TYR A 40 -0.185 -2.755 5.151 1.00 0.00 C ATOM 561 CD1 TYR A 40 -0.116 -1.400 4.808 1.00 0.00 C ATOM 562 CD2 TYR A 40 0.858 -3.351 5.870 1.00 0.00 C ATOM 563 CE1 TYR A 40 0.996 -0.637 5.185 1.00 0.00 C ATOM 564 CE2 TYR A 40 1.971 -2.588 6.246 1.00 0.00 C ATOM 565 CZ TYR A 40 2.040 -1.231 5.903 1.00 0.00 C ATOM 566 OH TYR A 40 3.137 -0.481 6.273 1.00 0.00 O ATOM 0 H TYR A 40 -2.418 -1.496 6.475 1.00 0.00 H new ATOM 0 HA TYR A 40 -3.311 -4.123 5.500 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -1.092 -4.615 4.593 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.762 -3.217 3.776 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -0.921 -0.942 4.252 1.00 0.00 H new ATOM 0 HD2 TYR A 40 0.805 -4.397 6.134 1.00 0.00 H new ATOM 0 HE1 TYR A 40 1.048 0.409 4.922 1.00 0.00 H new ATOM 0 HE2 TYR A 40 2.777 -3.046 6.801 1.00 0.00 H new ATOM 0 HH TYR A 40 3.350 -0.655 7.214 1.00 0.00 H new ATOM 576 N GLU A 41 -2.318 -5.201 7.477 1.00 0.00 N ATOM 577 CA GLU A 41 -1.897 -5.805 8.732 1.00 0.00 C ATOM 578 C GLU A 41 -1.696 -7.303 8.535 1.00 0.00 C ATOM 579 O GLU A 41 -2.196 -7.878 7.568 1.00 0.00 O ATOM 580 CB GLU A 41 -2.958 -5.564 9.806 1.00 0.00 C ATOM 581 CG GLU A 41 -4.134 -6.520 9.591 1.00 0.00 C ATOM 582 CD GLU A 41 -5.256 -6.201 10.574 1.00 0.00 C ATOM 583 OE1 GLU A 41 -5.068 -5.314 11.391 1.00 0.00 O ATOM 584 OE2 GLU A 41 -6.285 -6.850 10.496 1.00 0.00 O ATOM 0 H GLU A 41 -2.899 -5.804 6.894 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.958 -5.353 9.051 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.529 -5.717 10.796 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.304 -4.531 9.764 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.501 -6.433 8.568 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.804 -7.550 9.725 1.00 0.00 H new ATOM 591 N LEU A 42 -0.971 -7.937 9.447 1.00 0.00 N ATOM 592 CA LEU A 42 -0.735 -9.372 9.338 1.00 0.00 C ATOM 593 C LEU A 42 -1.982 -10.157 9.722 1.00 0.00 C ATOM 594 O LEU A 42 -2.532 -9.982 10.808 1.00 0.00 O ATOM 595 CB LEU A 42 0.431 -9.789 10.233 1.00 0.00 C ATOM 596 CG LEU A 42 1.744 -9.350 9.587 1.00 0.00 C ATOM 597 CD1 LEU A 42 2.858 -9.345 10.634 1.00 0.00 C ATOM 598 CD2 LEU A 42 2.108 -10.325 8.465 1.00 0.00 C ATOM 0 H LEU A 42 -0.542 -7.491 10.258 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.488 -9.594 8.300 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.328 -9.336 11.219 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.426 -10.869 10.377 1.00 0.00 H new ATOM 0 HG LEU A 42 1.627 -8.346 9.179 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.793 -9.031 10.169 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.601 -8.652 11.435 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.976 -10.348 11.045 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.045 -10.014 8.002 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.222 -11.328 8.877 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.317 -10.329 7.715 1.00 0.00 H new ATOM 610 N SER A 43 -2.421 -11.023 8.816 1.00 0.00 N ATOM 611 CA SER A 43 -3.607 -11.838 9.056 1.00 0.00 C ATOM 612 C SER A 43 -3.340 -12.885 10.134 1.00 0.00 C ATOM 613 O SER A 43 -4.269 -13.445 10.714 1.00 0.00 O ATOM 614 CB SER A 43 -4.012 -12.548 7.766 1.00 0.00 C ATOM 615 OG SER A 43 -3.194 -13.696 7.589 1.00 0.00 O ATOM 0 H SER A 43 -1.976 -11.179 7.912 1.00 0.00 H new ATOM 0 HA SER A 43 -4.409 -11.181 9.392 1.00 0.00 H new ATOM 0 HB2 SER A 43 -5.062 -12.838 7.810 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.903 -11.874 6.916 1.00 0.00 H new ATOM 0 HG SER A 43 -3.684 -14.494 7.877 1.00 0.00 H new ATOM 621 N GLU A 44 -2.063 -13.159 10.384 1.00 0.00 N ATOM 622 CA GLU A 44 -1.685 -14.158 11.378 1.00 0.00 C ATOM 623 C GLU A 44 -1.421 -13.517 12.735 1.00 0.00 C ATOM 624 O GLU A 44 -2.211 -13.660 13.667 1.00 0.00 O ATOM 625 CB GLU A 44 -0.426 -14.895 10.918 1.00 0.00 C ATOM 626 CG GLU A 44 -0.665 -15.502 9.534 1.00 0.00 C ATOM 627 CD GLU A 44 -1.810 -16.507 9.593 1.00 0.00 C ATOM 628 OE1 GLU A 44 -2.162 -16.912 10.689 1.00 0.00 O ATOM 629 OE2 GLU A 44 -2.318 -16.859 8.541 1.00 0.00 O ATOM 0 H GLU A 44 -1.278 -12.707 9.916 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.514 -14.859 11.481 1.00 0.00 H new ATOM 0 HB2 GLU A 44 0.419 -14.207 10.884 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -0.170 -15.679 11.631 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -0.899 -14.714 8.818 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.242 -15.993 9.182 1.00 0.00 H new ATOM 636 N GLU A 45 -0.292 -12.828 12.842 1.00 0.00 N ATOM 637 CA GLU A 45 0.086 -12.187 14.090 1.00 0.00 C ATOM 638 C GLU A 45 -0.988 -11.208 14.548 1.00 0.00 C ATOM 639 O GLU A 45 -1.220 -11.044 15.745 1.00 0.00 O ATOM 640 CB GLU A 45 1.403 -11.441 13.893 1.00 0.00 C ATOM 641 CG GLU A 45 2.487 -12.431 13.466 1.00 0.00 C ATOM 642 CD GLU A 45 3.824 -11.712 13.324 1.00 0.00 C ATOM 643 OE1 GLU A 45 3.837 -10.498 13.443 1.00 0.00 O ATOM 644 OE2 GLU A 45 4.815 -12.386 13.098 1.00 0.00 O ATOM 0 H GLU A 45 0.375 -12.700 12.081 1.00 0.00 H new ATOM 0 HA GLU A 45 0.200 -12.955 14.855 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.285 -10.665 13.137 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.694 -10.943 14.818 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.571 -13.230 14.202 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.213 -12.897 12.519 1.00 0.00 H new ATOM 651 N GLY A 46 -1.636 -10.558 13.591 1.00 0.00 N ATOM 652 CA GLY A 46 -2.679 -9.596 13.920 1.00 0.00 C ATOM 653 C GLY A 46 -2.070 -8.351 14.554 1.00 0.00 C ATOM 654 O GLY A 46 -2.669 -7.731 15.433 1.00 0.00 O ATOM 0 H GLY A 46 -1.461 -10.677 12.593 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.228 -9.322 13.019 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.396 -10.047 14.605 1.00 0.00 H new ATOM 658 N ASP A 47 -0.872 -7.994 14.102 1.00 0.00 N ATOM 659 CA ASP A 47 -0.181 -6.827 14.630 1.00 0.00 C ATOM 660 C ASP A 47 -1.028 -5.580 14.443 1.00 0.00 C ATOM 661 O ASP A 47 -2.168 -5.653 13.984 1.00 0.00 O ATOM 662 CB ASP A 47 1.151 -6.647 13.906 1.00 0.00 C ATOM 663 CG ASP A 47 0.906 -6.360 12.428 1.00 0.00 C ATOM 664 OD1 ASP A 47 -0.219 -6.031 12.087 1.00 0.00 O ATOM 665 OD2 ASP A 47 1.847 -6.474 11.659 1.00 0.00 O ATOM 0 H ASP A 47 -0.363 -8.495 13.374 1.00 0.00 H new ATOM 0 HA ASP A 47 -0.004 -6.979 15.695 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.711 -5.828 14.356 1.00 0.00 H new ATOM 0 HB3 ASP A 47 1.758 -7.546 14.015 1.00 0.00 H new ATOM 670 N GLU A 48 -0.466 -4.434 14.798 1.00 0.00 N ATOM 671 CA GLU A 48 -1.188 -3.179 14.659 1.00 0.00 C ATOM 672 C GLU A 48 -1.309 -2.806 13.186 1.00 0.00 C ATOM 673 O GLU A 48 -0.342 -2.913 12.430 1.00 0.00 O ATOM 674 CB GLU A 48 -0.459 -2.065 15.407 1.00 0.00 C ATOM 675 CG GLU A 48 1.045 -2.317 15.345 1.00 0.00 C ATOM 676 CD GLU A 48 1.509 -3.030 16.610 1.00 0.00 C ATOM 677 OE1 GLU A 48 1.557 -2.385 17.645 1.00 0.00 O ATOM 678 OE2 GLU A 48 1.809 -4.209 16.526 1.00 0.00 O ATOM 0 H GLU A 48 0.476 -4.347 15.180 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.184 -3.303 15.083 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.696 -1.098 14.964 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.791 -2.030 16.445 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.285 -2.920 14.469 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.576 -1.371 15.236 1.00 0.00 H new ATOM 685 N PRO A 49 -2.465 -2.373 12.764 1.00 0.00 N ATOM 686 CA PRO A 49 -2.697 -1.980 11.349 1.00 0.00 C ATOM 687 C PRO A 49 -1.929 -0.715 10.982 1.00 0.00 C ATOM 688 O PRO A 49 -1.749 0.178 11.811 1.00 0.00 O ATOM 689 CB PRO A 49 -4.210 -1.747 11.270 1.00 0.00 C ATOM 690 CG PRO A 49 -4.649 -1.473 12.671 1.00 0.00 C ATOM 691 CD PRO A 49 -3.670 -2.206 13.588 1.00 0.00 C ATOM 0 HA PRO A 49 -2.350 -2.741 10.650 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.443 -0.908 10.615 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -4.720 -2.620 10.863 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.644 -0.402 12.876 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -5.668 -1.824 12.833 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.460 -1.630 14.489 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.069 -3.168 13.910 1.00 0.00 H new ATOM 699 N GLN A 50 -1.488 -0.644 9.736 1.00 0.00 N ATOM 700 CA GLN A 50 -0.748 0.517 9.261 1.00 0.00 C ATOM 701 C GLN A 50 -1.571 1.227 8.201 1.00 0.00 C ATOM 702 O GLN A 50 -2.274 0.583 7.432 1.00 0.00 O ATOM 703 CB GLN A 50 0.591 0.066 8.678 1.00 0.00 C ATOM 704 CG GLN A 50 1.378 -0.676 9.757 1.00 0.00 C ATOM 705 CD GLN A 50 2.334 -1.675 9.119 1.00 0.00 C ATOM 706 OE1 GLN A 50 3.201 -1.294 8.333 1.00 0.00 O ATOM 707 NE2 GLN A 50 2.224 -2.942 9.413 1.00 0.00 N ATOM 0 H GLN A 50 -1.628 -1.373 9.037 1.00 0.00 H new ATOM 0 HA GLN A 50 -0.557 1.202 10.087 1.00 0.00 H new ATOM 0 HB2 GLN A 50 0.428 -0.583 7.818 1.00 0.00 H new ATOM 0 HB3 GLN A 50 1.157 0.928 8.324 1.00 0.00 H new ATOM 0 HG2 GLN A 50 1.937 0.036 10.364 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.691 -1.195 10.426 1.00 0.00 H new ATOM 0 HE21 GLN A 50 1.504 -3.254 10.065 1.00 0.00 H new ATOM 0 HE22 GLN A 50 2.858 -3.620 8.991 1.00 0.00 H new ATOM 716 N TYR A 51 -1.504 2.552 8.170 1.00 0.00 N ATOM 717 CA TYR A 51 -2.288 3.301 7.197 1.00 0.00 C ATOM 718 C TYR A 51 -1.409 4.150 6.290 1.00 0.00 C ATOM 719 O TYR A 51 -0.443 4.772 6.735 1.00 0.00 O ATOM 720 CB TYR A 51 -3.284 4.211 7.916 1.00 0.00 C ATOM 721 CG TYR A 51 -4.236 3.377 8.740 1.00 0.00 C ATOM 722 CD1 TYR A 51 -5.320 2.742 8.125 1.00 0.00 C ATOM 723 CD2 TYR A 51 -4.036 3.245 10.119 1.00 0.00 C ATOM 724 CE1 TYR A 51 -6.207 1.975 8.888 1.00 0.00 C ATOM 725 CE2 TYR A 51 -4.922 2.476 10.883 1.00 0.00 C ATOM 726 CZ TYR A 51 -6.008 1.841 10.268 1.00 0.00 C ATOM 727 OH TYR A 51 -6.881 1.084 11.020 1.00 0.00 O ATOM 0 H TYR A 51 -0.929 3.120 8.792 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.816 2.574 6.580 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.752 4.913 8.558 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -3.840 4.803 7.189 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -5.472 2.844 7.061 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -3.199 3.736 10.593 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -7.045 1.486 8.413 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -4.768 2.373 11.947 1.00 0.00 H new ATOM 0 HH TYR A 51 -6.705 0.132 10.866 1.00 0.00 H new ATOM 737 N LEU A 52 -1.777 4.188 5.015 1.00 0.00 N ATOM 738 CA LEU A 52 -1.055 4.980 4.030 1.00 0.00 C ATOM 739 C LEU A 52 -2.036 5.905 3.326 1.00 0.00 C ATOM 740 O LEU A 52 -3.075 5.461 2.837 1.00 0.00 O ATOM 741 CB LEU A 52 -0.385 4.063 3.008 1.00 0.00 C ATOM 742 CG LEU A 52 0.417 2.995 3.745 1.00 0.00 C ATOM 743 CD1 LEU A 52 0.949 1.971 2.741 1.00 0.00 C ATOM 744 CD2 LEU A 52 1.595 3.646 4.473 1.00 0.00 C ATOM 0 H LEU A 52 -2.575 3.676 4.639 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.285 5.568 4.529 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.137 3.596 2.372 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.269 4.641 2.356 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.229 2.498 4.469 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.522 1.208 3.268 1.00 0.00 H new ATOM 0 HD12 LEU A 52 0.113 1.503 2.222 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.592 2.472 2.017 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.166 2.880 4.999 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.239 4.146 3.749 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.221 4.376 5.191 1.00 0.00 H new ATOM 756 N ASP A 53 -1.717 7.188 3.288 1.00 0.00 N ATOM 757 CA ASP A 53 -2.603 8.153 2.651 1.00 0.00 C ATOM 758 C ASP A 53 -2.085 8.562 1.275 1.00 0.00 C ATOM 759 O ASP A 53 -0.914 8.905 1.113 1.00 0.00 O ATOM 760 CB ASP A 53 -2.748 9.389 3.535 1.00 0.00 C ATOM 761 CG ASP A 53 -3.258 8.986 4.915 1.00 0.00 C ATOM 762 OD1 ASP A 53 -3.968 7.998 4.997 1.00 0.00 O ATOM 763 OD2 ASP A 53 -2.931 9.673 5.869 1.00 0.00 O ATOM 0 H ASP A 53 -0.864 7.583 3.684 1.00 0.00 H new ATOM 0 HA ASP A 53 -3.576 7.679 2.520 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -1.787 9.895 3.627 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.438 10.096 3.075 1.00 0.00 H new ATOM 768 N LEU A 54 -2.972 8.511 0.286 1.00 0.00 N ATOM 769 CA LEU A 54 -2.613 8.865 -1.081 1.00 0.00 C ATOM 770 C LEU A 54 -3.630 9.863 -1.638 1.00 0.00 C ATOM 771 O LEU A 54 -4.776 9.904 -1.190 1.00 0.00 O ATOM 772 CB LEU A 54 -2.604 7.605 -1.953 1.00 0.00 C ATOM 773 CG LEU A 54 -2.040 6.420 -1.164 1.00 0.00 C ATOM 774 CD1 LEU A 54 -2.445 5.119 -1.853 1.00 0.00 C ATOM 775 CD2 LEU A 54 -0.515 6.516 -1.116 1.00 0.00 C ATOM 0 H LEU A 54 -3.944 8.228 0.407 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.621 9.317 -1.087 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.616 7.379 -2.289 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.003 7.776 -2.846 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.435 6.437 -0.148 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.046 4.272 -1.295 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.532 5.050 -1.889 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.047 5.105 -2.867 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.115 5.672 -0.554 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.117 6.498 -2.131 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.224 7.447 -0.629 1.00 0.00 H new ATOM 787 N PRO A 55 -3.238 10.663 -2.594 1.00 0.00 N ATOM 788 CA PRO A 55 -4.143 11.677 -3.208 1.00 0.00 C ATOM 789 C PRO A 55 -5.250 11.046 -4.053 1.00 0.00 C ATOM 790 O PRO A 55 -5.126 9.913 -4.515 1.00 0.00 O ATOM 791 CB PRO A 55 -3.217 12.541 -4.069 1.00 0.00 C ATOM 792 CG PRO A 55 -1.985 11.729 -4.305 1.00 0.00 C ATOM 793 CD PRO A 55 -1.893 10.687 -3.188 1.00 0.00 C ATOM 0 HA PRO A 55 -4.671 12.250 -2.446 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -3.696 12.804 -5.012 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -2.976 13.476 -3.563 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -2.029 11.242 -5.279 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -1.101 12.367 -4.307 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.615 9.709 -3.580 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -1.138 10.961 -2.451 1.00 0.00 H new ATOM 801 N SER A 56 -6.332 11.798 -4.246 1.00 0.00 N ATOM 802 CA SER A 56 -7.465 11.314 -5.033 1.00 0.00 C ATOM 803 C SER A 56 -7.023 10.947 -6.444 1.00 0.00 C ATOM 804 O SER A 56 -7.749 10.276 -7.177 1.00 0.00 O ATOM 805 CB SER A 56 -8.566 12.372 -5.100 1.00 0.00 C ATOM 806 OG SER A 56 -8.026 13.582 -5.617 1.00 0.00 O ATOM 0 H SER A 56 -6.448 12.739 -3.871 1.00 0.00 H new ATOM 0 HA SER A 56 -7.857 10.424 -4.542 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.382 12.025 -5.734 1.00 0.00 H new ATOM 0 HB3 SER A 56 -8.984 12.542 -4.108 1.00 0.00 H new ATOM 0 HG SER A 56 -8.754 14.208 -5.812 1.00 0.00 H new ATOM 812 N THR A 57 -5.829 11.388 -6.823 1.00 0.00 N ATOM 813 CA THR A 57 -5.316 11.085 -8.152 1.00 0.00 C ATOM 814 C THR A 57 -4.538 9.775 -8.125 1.00 0.00 C ATOM 815 O THR A 57 -4.170 9.237 -9.170 1.00 0.00 O ATOM 816 CB THR A 57 -4.399 12.214 -8.629 1.00 0.00 C ATOM 817 OG1 THR A 57 -3.233 12.247 -7.818 1.00 0.00 O ATOM 818 CG2 THR A 57 -5.133 13.551 -8.525 1.00 0.00 C ATOM 0 H THR A 57 -5.207 11.948 -6.239 1.00 0.00 H new ATOM 0 HA THR A 57 -6.157 10.990 -8.839 1.00 0.00 H new ATOM 0 HB THR A 57 -4.117 12.039 -9.667 1.00 0.00 H new ATOM 0 HG1 THR A 57 -2.643 12.968 -8.122 1.00 0.00 H new ATOM 0 HG21 THR A 57 -4.478 14.353 -8.865 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.027 13.524 -9.147 1.00 0.00 H new ATOM 0 HG23 THR A 57 -5.418 13.730 -7.488 1.00 0.00 H new ATOM 826 N ALA A 58 -4.294 9.266 -6.922 1.00 0.00 N ATOM 827 CA ALA A 58 -3.562 8.015 -6.765 1.00 0.00 C ATOM 828 C ALA A 58 -4.493 6.822 -6.949 1.00 0.00 C ATOM 829 O ALA A 58 -5.573 6.769 -6.361 1.00 0.00 O ATOM 830 CB ALA A 58 -2.923 7.956 -5.377 1.00 0.00 C ATOM 0 H ALA A 58 -4.590 9.697 -6.047 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.783 7.974 -7.526 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.378 7.019 -5.267 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -2.234 8.792 -5.258 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.701 8.015 -4.616 1.00 0.00 H new ATOM 836 N THR A 59 -4.063 5.863 -7.760 1.00 0.00 N ATOM 837 CA THR A 59 -4.863 4.671 -8.004 1.00 0.00 C ATOM 838 C THR A 59 -4.019 3.415 -7.813 1.00 0.00 C ATOM 839 O THR A 59 -4.425 2.320 -8.201 1.00 0.00 O ATOM 840 CB THR A 59 -5.439 4.703 -9.421 1.00 0.00 C ATOM 841 OG1 THR A 59 -4.431 5.114 -10.333 1.00 0.00 O ATOM 842 CG2 THR A 59 -6.614 5.680 -9.471 1.00 0.00 C ATOM 0 H THR A 59 -3.172 5.887 -8.256 1.00 0.00 H new ATOM 0 HA THR A 59 -5.684 4.653 -7.288 1.00 0.00 H new ATOM 0 HB THR A 59 -5.788 3.708 -9.697 1.00 0.00 H new ATOM 0 HG1 THR A 59 -4.799 5.133 -11.241 1.00 0.00 H new ATOM 0 HG21 THR A 59 -7.025 5.703 -10.480 1.00 0.00 H new ATOM 0 HG22 THR A 59 -7.386 5.357 -8.772 1.00 0.00 H new ATOM 0 HG23 THR A 59 -6.270 6.677 -9.196 1.00 0.00 H new ATOM 850 N SER A 60 -2.847 3.579 -7.204 1.00 0.00 N ATOM 851 CA SER A 60 -1.959 2.450 -6.959 1.00 0.00 C ATOM 852 C SER A 60 -0.911 2.821 -5.920 1.00 0.00 C ATOM 853 O SER A 60 -0.469 3.969 -5.854 1.00 0.00 O ATOM 854 CB SER A 60 -1.272 2.028 -8.258 1.00 0.00 C ATOM 855 OG SER A 60 -0.311 3.013 -8.619 1.00 0.00 O ATOM 0 H SER A 60 -2.494 4.477 -6.874 1.00 0.00 H new ATOM 0 HA SER A 60 -2.552 1.617 -6.583 1.00 0.00 H new ATOM 0 HB2 SER A 60 -0.788 1.060 -8.130 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.009 1.913 -9.053 1.00 0.00 H new ATOM 0 HG SER A 60 0.134 2.747 -9.451 1.00 0.00 H new ATOM 861 N VAL A 61 -0.517 1.849 -5.105 1.00 0.00 N ATOM 862 CA VAL A 61 0.478 2.103 -4.070 1.00 0.00 C ATOM 863 C VAL A 61 1.315 0.861 -3.783 1.00 0.00 C ATOM 864 O VAL A 61 0.817 -0.264 -3.830 1.00 0.00 O ATOM 865 CB VAL A 61 -0.213 2.546 -2.783 1.00 0.00 C ATOM 866 CG1 VAL A 61 -0.970 1.365 -2.176 1.00 0.00 C ATOM 867 CG2 VAL A 61 0.833 3.043 -1.785 1.00 0.00 C ATOM 0 H VAL A 61 -0.865 0.891 -5.139 1.00 0.00 H new ATOM 0 HA VAL A 61 1.139 2.890 -4.432 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.913 3.351 -3.009 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.463 1.682 -1.257 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.718 1.009 -2.885 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.270 0.560 -1.953 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.338 3.359 -0.867 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.534 2.239 -1.561 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.374 3.886 -2.214 1.00 0.00 H new ATOM 877 N ASN A 62 2.586 1.081 -3.467 1.00 0.00 N ATOM 878 CA ASN A 62 3.488 -0.018 -3.148 1.00 0.00 C ATOM 879 C ASN A 62 3.691 -0.085 -1.634 1.00 0.00 C ATOM 880 O ASN A 62 4.067 0.907 -1.012 1.00 0.00 O ATOM 881 CB ASN A 62 4.836 0.188 -3.840 1.00 0.00 C ATOM 882 CG ASN A 62 5.742 -1.012 -3.587 1.00 0.00 C ATOM 883 OD1 ASN A 62 6.965 -0.876 -3.569 1.00 0.00 O ATOM 884 ND2 ASN A 62 5.212 -2.189 -3.386 1.00 0.00 N ATOM 0 H ASN A 62 3.013 2.006 -3.425 1.00 0.00 H new ATOM 0 HA ASN A 62 3.051 -0.952 -3.500 1.00 0.00 H new ATOM 0 HB2 ASN A 62 4.687 0.322 -4.911 1.00 0.00 H new ATOM 0 HB3 ASN A 62 5.310 1.096 -3.468 1.00 0.00 H new ATOM 0 HD21 ASN A 62 5.812 -2.996 -3.214 1.00 0.00 H new ATOM 0 HD22 ASN A 62 4.198 -2.301 -3.401 1.00 0.00 H new ATOM 891 N ILE A 63 3.428 -1.249 -1.045 1.00 0.00 N ATOM 892 CA ILE A 63 3.577 -1.411 0.402 1.00 0.00 C ATOM 893 C ILE A 63 4.921 -2.058 0.751 1.00 0.00 C ATOM 894 O ILE A 63 5.112 -3.253 0.526 1.00 0.00 O ATOM 895 CB ILE A 63 2.444 -2.282 0.943 1.00 0.00 C ATOM 896 CG1 ILE A 63 1.135 -1.913 0.240 1.00 0.00 C ATOM 897 CG2 ILE A 63 2.298 -2.049 2.448 1.00 0.00 C ATOM 898 CD1 ILE A 63 -0.051 -2.401 1.075 1.00 0.00 C ATOM 0 H ILE A 63 3.115 -2.085 -1.538 1.00 0.00 H new ATOM 0 HA ILE A 63 3.539 -0.422 0.858 1.00 0.00 H new ATOM 0 HB ILE A 63 2.672 -3.332 0.757 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.076 -0.833 0.102 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.104 -2.363 -0.752 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.490 -2.670 2.836 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.230 -2.312 2.949 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.070 -0.999 2.633 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.982 -2.138 0.573 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.006 -3.483 1.190 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.022 -1.930 2.058 1.00 0.00 H new ATOM 910 N PRO A 64 5.848 -1.306 1.296 1.00 0.00 N ATOM 911 CA PRO A 64 7.181 -1.826 1.682 1.00 0.00 C ATOM 912 C PRO A 64 7.211 -2.368 3.110 1.00 0.00 C ATOM 913 O PRO A 64 6.224 -2.299 3.842 1.00 0.00 O ATOM 914 CB PRO A 64 8.072 -0.595 1.550 1.00 0.00 C ATOM 915 CG PRO A 64 7.188 0.565 1.883 1.00 0.00 C ATOM 916 CD PRO A 64 5.743 0.128 1.607 1.00 0.00 C ATOM 0 HA PRO A 64 7.491 -2.669 1.065 1.00 0.00 H new ATOM 0 HB2 PRO A 64 8.923 -0.650 2.229 1.00 0.00 H new ATOM 0 HB3 PRO A 64 8.475 -0.507 0.541 1.00 0.00 H new ATOM 0 HG2 PRO A 64 7.310 0.854 2.927 1.00 0.00 H new ATOM 0 HG3 PRO A 64 7.449 1.434 1.279 1.00 0.00 H new ATOM 0 HD2 PRO A 64 5.103 0.301 2.472 1.00 0.00 H new ATOM 0 HD3 PRO A 64 5.311 0.685 0.775 1.00 0.00 H new ATOM 924 N ASP A 65 8.364 -2.898 3.485 1.00 0.00 N ATOM 925 CA ASP A 65 8.570 -3.453 4.820 1.00 0.00 C ATOM 926 C ASP A 65 7.614 -4.609 5.105 1.00 0.00 C ATOM 927 O ASP A 65 7.135 -4.764 6.228 1.00 0.00 O ATOM 928 CB ASP A 65 8.374 -2.360 5.871 1.00 0.00 C ATOM 929 CG ASP A 65 9.452 -1.292 5.719 1.00 0.00 C ATOM 930 OD1 ASP A 65 10.420 -1.553 5.023 1.00 0.00 O ATOM 931 OD2 ASP A 65 9.294 -0.233 6.299 1.00 0.00 O ATOM 0 H ASP A 65 9.182 -2.957 2.879 1.00 0.00 H new ATOM 0 HA ASP A 65 9.589 -3.837 4.866 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.387 -1.911 5.761 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.417 -2.793 6.870 1.00 0.00 H new ATOM 936 N LEU A 66 7.359 -5.431 4.093 1.00 0.00 N ATOM 937 CA LEU A 66 6.481 -6.582 4.264 1.00 0.00 C ATOM 938 C LEU A 66 7.303 -7.806 4.674 1.00 0.00 C ATOM 939 O LEU A 66 8.465 -7.936 4.288 1.00 0.00 O ATOM 940 CB LEU A 66 5.713 -6.857 2.970 1.00 0.00 C ATOM 941 CG LEU A 66 4.927 -5.605 2.568 1.00 0.00 C ATOM 942 CD1 LEU A 66 3.976 -5.943 1.418 1.00 0.00 C ATOM 943 CD2 LEU A 66 4.113 -5.108 3.764 1.00 0.00 C ATOM 0 H LEU A 66 7.744 -5.324 3.154 1.00 0.00 H new ATOM 0 HA LEU A 66 5.759 -6.367 5.052 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.405 -7.136 2.176 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.033 -7.697 3.109 1.00 0.00 H new ATOM 0 HG LEU A 66 5.624 -4.829 2.250 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.418 -5.051 1.133 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.551 -6.299 0.563 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.281 -6.720 1.737 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.554 -4.217 3.478 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.419 -5.887 4.080 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.786 -4.866 4.587 1.00 0.00 H new ATOM 955 N LEU A 67 6.709 -8.688 5.473 1.00 0.00 N ATOM 956 CA LEU A 67 7.411 -9.878 5.943 1.00 0.00 C ATOM 957 C LEU A 67 7.248 -11.060 4.983 1.00 0.00 C ATOM 958 O LEU A 67 6.150 -11.594 4.834 1.00 0.00 O ATOM 959 CB LEU A 67 6.857 -10.288 7.307 1.00 0.00 C ATOM 960 CG LEU A 67 7.479 -9.429 8.407 1.00 0.00 C ATOM 961 CD1 LEU A 67 6.580 -9.459 9.644 1.00 0.00 C ATOM 962 CD2 LEU A 67 8.852 -9.999 8.774 1.00 0.00 C ATOM 0 H LEU A 67 5.749 -8.602 5.807 1.00 0.00 H new ATOM 0 HA LEU A 67 8.470 -9.628 6.006 1.00 0.00 H new ATOM 0 HB2 LEU A 67 5.773 -10.175 7.316 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.070 -11.341 7.493 1.00 0.00 H new ATOM 0 HG LEU A 67 7.585 -8.403 8.054 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.022 -8.847 10.430 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.596 -9.066 9.388 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.480 -10.486 9.997 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.301 -9.390 9.559 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.738 -11.023 9.130 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.496 -9.990 7.895 1.00 0.00 H new ATOM 974 N PRO A 68 8.315 -11.502 4.360 1.00 0.00 N ATOM 975 CA PRO A 68 8.271 -12.673 3.439 1.00 0.00 C ATOM 976 C PRO A 68 7.666 -13.901 4.123 1.00 0.00 C ATOM 977 O PRO A 68 8.000 -14.208 5.267 1.00 0.00 O ATOM 978 CB PRO A 68 9.739 -12.931 3.088 1.00 0.00 C ATOM 979 CG PRO A 68 10.458 -11.656 3.372 1.00 0.00 C ATOM 980 CD PRO A 68 9.666 -10.932 4.458 1.00 0.00 C ATOM 0 HA PRO A 68 7.650 -12.479 2.564 1.00 0.00 H new ATOM 0 HB2 PRO A 68 10.145 -13.749 3.683 1.00 0.00 H new ATOM 0 HB3 PRO A 68 9.846 -13.215 2.041 1.00 0.00 H new ATOM 0 HG2 PRO A 68 11.477 -11.853 3.704 1.00 0.00 H new ATOM 0 HG3 PRO A 68 10.529 -11.044 2.473 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.098 -11.099 5.445 1.00 0.00 H new ATOM 0 HD3 PRO A 68 9.657 -9.855 4.293 1.00 0.00 H new ATOM 988 N GLY A 69 6.792 -14.607 3.415 1.00 0.00 N ATOM 989 CA GLY A 69 6.169 -15.807 3.970 1.00 0.00 C ATOM 990 C GLY A 69 5.096 -15.465 5.005 1.00 0.00 C ATOM 991 O GLY A 69 4.813 -16.263 5.899 1.00 0.00 O ATOM 0 H GLY A 69 6.500 -14.375 2.466 1.00 0.00 H new ATOM 0 HA2 GLY A 69 5.724 -16.391 3.164 1.00 0.00 H new ATOM 0 HA3 GLY A 69 6.933 -16.432 4.432 1.00 0.00 H new ATOM 995 N ARG A 70 4.498 -14.287 4.876 1.00 0.00 N ATOM 996 CA ARG A 70 3.454 -13.866 5.807 1.00 0.00 C ATOM 997 C ARG A 70 2.225 -13.405 5.040 1.00 0.00 C ATOM 998 O ARG A 70 2.343 -12.877 3.937 1.00 0.00 O ATOM 999 CB ARG A 70 3.954 -12.727 6.699 1.00 0.00 C ATOM 1000 CG ARG A 70 5.017 -13.245 7.669 1.00 0.00 C ATOM 1001 CD ARG A 70 4.400 -14.287 8.599 1.00 0.00 C ATOM 1002 NE ARG A 70 4.844 -14.065 9.970 1.00 0.00 N ATOM 1003 CZ ARG A 70 4.358 -14.788 10.974 1.00 0.00 C ATOM 1004 NH1 ARG A 70 3.480 -15.723 10.736 1.00 0.00 N ATOM 1005 NH2 ARG A 70 4.759 -14.564 12.195 1.00 0.00 N ATOM 0 H ARG A 70 4.714 -13.611 4.144 1.00 0.00 H new ATOM 0 HA ARG A 70 3.193 -14.718 6.435 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.370 -11.929 6.084 1.00 0.00 H new ATOM 0 HB3 ARG A 70 3.121 -12.298 7.256 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.846 -13.684 7.114 1.00 0.00 H new ATOM 0 HG3 ARG A 70 5.425 -12.419 8.252 1.00 0.00 H new ATOM 0 HD2 ARG A 70 3.313 -14.232 8.548 1.00 0.00 H new ATOM 0 HD3 ARG A 70 4.684 -15.288 8.275 1.00 0.00 H new ATOM 0 HE ARG A 70 5.539 -13.343 10.162 1.00 0.00 H new ATOM 0 HH11 ARG A 70 3.168 -15.898 9.781 1.00 0.00 H new ATOM 0 HH12 ARG A 70 3.106 -16.279 11.505 1.00 0.00 H new ATOM 0 HH21 ARG A 70 5.446 -13.833 12.380 1.00 0.00 H new ATOM 0 HH22 ARG A 70 4.385 -15.119 12.965 1.00 0.00 H new ATOM 1019 N LYS A 71 1.048 -13.592 5.629 1.00 0.00 N ATOM 1020 CA LYS A 71 -0.184 -13.177 4.976 1.00 0.00 C ATOM 1021 C LYS A 71 -0.642 -11.828 5.506 1.00 0.00 C ATOM 1022 O LYS A 71 -0.773 -11.629 6.714 1.00 0.00 O ATOM 1023 CB LYS A 71 -1.280 -14.220 5.197 1.00 0.00 C ATOM 1024 CG LYS A 71 -2.502 -13.857 4.352 1.00 0.00 C ATOM 1025 CD LYS A 71 -3.623 -14.865 4.611 1.00 0.00 C ATOM 1026 CE LYS A 71 -4.757 -14.632 3.610 1.00 0.00 C ATOM 1027 NZ LYS A 71 -5.624 -15.842 3.550 1.00 0.00 N ATOM 0 H LYS A 71 0.924 -14.023 6.545 1.00 0.00 H new ATOM 0 HA LYS A 71 0.010 -13.086 3.907 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -0.916 -15.210 4.924 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.552 -14.260 6.252 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.840 -12.850 4.598 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -2.238 -13.855 3.294 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -3.242 -15.882 4.516 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.995 -14.758 5.630 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -5.346 -13.764 3.907 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -4.347 -14.416 2.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -6.395 -15.684 2.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -5.058 -16.660 3.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -6.026 -16.028 4.491 1.00 0.00 H new ATOM 1041 N TYR A 72 -0.895 -10.909 4.587 1.00 0.00 N ATOM 1042 CA TYR A 72 -1.353 -9.577 4.953 1.00 0.00 C ATOM 1043 C TYR A 72 -2.725 -9.309 4.352 1.00 0.00 C ATOM 1044 O TYR A 72 -3.032 -9.772 3.253 1.00 0.00 O ATOM 1045 CB TYR A 72 -0.398 -8.511 4.416 1.00 0.00 C ATOM 1046 CG TYR A 72 0.893 -8.495 5.193 1.00 0.00 C ATOM 1047 CD1 TYR A 72 1.936 -9.358 4.845 1.00 0.00 C ATOM 1048 CD2 TYR A 72 1.054 -7.593 6.252 1.00 0.00 C ATOM 1049 CE1 TYR A 72 3.139 -9.323 5.559 1.00 0.00 C ATOM 1050 CE2 TYR A 72 2.257 -7.556 6.964 1.00 0.00 C ATOM 1051 CZ TYR A 72 3.300 -8.421 6.618 1.00 0.00 C ATOM 1052 OH TYR A 72 4.486 -8.384 7.320 1.00 0.00 O ATOM 0 H TYR A 72 -0.791 -11.060 3.584 1.00 0.00 H new ATOM 0 HA TYR A 72 -1.394 -9.531 6.041 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -0.190 -8.703 3.363 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -0.873 -7.531 4.474 1.00 0.00 H new ATOM 0 HD1 TYR A 72 1.814 -10.051 4.026 1.00 0.00 H new ATOM 0 HD2 TYR A 72 0.248 -6.925 6.519 1.00 0.00 H new ATOM 0 HE1 TYR A 72 3.944 -9.992 5.293 1.00 0.00 H new ATOM 0 HE2 TYR A 72 2.381 -6.860 7.780 1.00 0.00 H new ATOM 0 HH TYR A 72 4.430 -7.701 8.021 1.00 0.00 H new ATOM 1062 N ILE A 73 -3.527 -8.526 5.052 1.00 0.00 N ATOM 1063 CA ILE A 73 -4.840 -8.162 4.547 1.00 0.00 C ATOM 1064 C ILE A 73 -4.769 -6.736 4.045 1.00 0.00 C ATOM 1065 O ILE A 73 -4.364 -5.838 4.775 1.00 0.00 O ATOM 1066 CB ILE A 73 -5.887 -8.277 5.650 1.00 0.00 C ATOM 1067 CG1 ILE A 73 -5.875 -9.702 6.198 1.00 0.00 C ATOM 1068 CG2 ILE A 73 -7.272 -7.957 5.080 1.00 0.00 C ATOM 1069 CD1 ILE A 73 -6.780 -9.788 7.424 1.00 0.00 C ATOM 0 H ILE A 73 -3.295 -8.133 5.964 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.128 -8.835 3.740 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.659 -7.572 6.450 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.216 -10.399 5.433 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.858 -9.992 6.463 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -8.019 -8.040 5.870 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -7.276 -6.942 4.682 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -7.509 -8.661 4.282 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.770 -10.806 7.813 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.420 -9.103 8.191 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -7.798 -9.517 7.144 1.00 0.00 H new ATOM 1081 N VAL A 74 -5.143 -6.529 2.796 1.00 0.00 N ATOM 1082 CA VAL A 74 -5.087 -5.197 2.223 1.00 0.00 C ATOM 1083 C VAL A 74 -6.487 -4.660 1.976 1.00 0.00 C ATOM 1084 O VAL A 74 -7.328 -5.331 1.381 1.00 0.00 O ATOM 1085 CB VAL A 74 -4.310 -5.229 0.905 1.00 0.00 C ATOM 1086 CG1 VAL A 74 -4.124 -3.801 0.393 1.00 0.00 C ATOM 1087 CG2 VAL A 74 -2.937 -5.874 1.131 1.00 0.00 C ATOM 0 H VAL A 74 -5.484 -7.255 2.166 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.579 -4.540 2.929 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.865 -5.812 0.170 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.571 -3.820 -0.546 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -5.100 -3.343 0.230 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.569 -3.220 1.129 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.386 -5.895 0.191 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.379 -5.294 1.866 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.069 -6.892 1.497 1.00 0.00 H new ATOM 1097 N ASN A 75 -6.722 -3.440 2.436 1.00 0.00 N ATOM 1098 CA ASN A 75 -8.017 -2.807 2.258 1.00 0.00 C ATOM 1099 C ASN A 75 -7.822 -1.380 1.776 1.00 0.00 C ATOM 1100 O ASN A 75 -7.144 -0.583 2.424 1.00 0.00 O ATOM 1101 CB ASN A 75 -8.780 -2.807 3.584 1.00 0.00 C ATOM 1102 CG ASN A 75 -8.754 -4.203 4.192 1.00 0.00 C ATOM 1103 OD1 ASN A 75 -9.549 -5.063 3.812 1.00 0.00 O ATOM 1104 ND2 ASN A 75 -7.876 -4.481 5.115 1.00 0.00 N ATOM 0 H ASN A 75 -6.036 -2.872 2.933 1.00 0.00 H new ATOM 0 HA ASN A 75 -8.592 -3.362 1.517 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -8.331 -2.092 4.273 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -9.810 -2.490 3.422 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -7.846 -5.414 5.526 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -7.219 -3.765 5.427 1.00 0.00 H new ATOM 1111 N VAL A 76 -8.413 -1.058 0.635 1.00 0.00 N ATOM 1112 CA VAL A 76 -8.281 0.282 0.088 1.00 0.00 C ATOM 1113 C VAL A 76 -9.564 1.069 0.313 1.00 0.00 C ATOM 1114 O VAL A 76 -10.650 0.622 -0.057 1.00 0.00 O ATOM 1115 CB VAL A 76 -7.981 0.209 -1.409 1.00 0.00 C ATOM 1116 CG1 VAL A 76 -7.612 1.600 -1.925 1.00 0.00 C ATOM 1117 CG2 VAL A 76 -6.813 -0.751 -1.646 1.00 0.00 C ATOM 0 H VAL A 76 -8.981 -1.696 0.077 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.459 0.787 0.595 1.00 0.00 H new ATOM 0 HB VAL A 76 -8.862 -0.151 -1.940 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.398 1.547 -2.993 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -8.444 2.284 -1.755 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.731 1.962 -1.396 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.597 -0.805 -2.713 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.932 -0.390 -1.115 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -7.077 -1.743 -1.279 1.00 0.00 H new ATOM 1127 N TYR A 77 -9.432 2.243 0.916 1.00 0.00 N ATOM 1128 CA TYR A 77 -10.587 3.083 1.174 1.00 0.00 C ATOM 1129 C TYR A 77 -10.422 4.418 0.470 1.00 0.00 C ATOM 1130 O TYR A 77 -9.341 5.004 0.486 1.00 0.00 O ATOM 1131 CB TYR A 77 -10.740 3.332 2.679 1.00 0.00 C ATOM 1132 CG TYR A 77 -10.766 2.014 3.415 1.00 0.00 C ATOM 1133 CD1 TYR A 77 -11.959 1.287 3.516 1.00 0.00 C ATOM 1134 CD2 TYR A 77 -9.594 1.519 4.002 1.00 0.00 C ATOM 1135 CE1 TYR A 77 -11.980 0.066 4.201 1.00 0.00 C ATOM 1136 CE2 TYR A 77 -9.615 0.298 4.686 1.00 0.00 C ATOM 1137 CZ TYR A 77 -10.808 -0.429 4.785 1.00 0.00 C ATOM 1138 OH TYR A 77 -10.828 -1.632 5.459 1.00 0.00 O ATOM 0 H TYR A 77 -8.543 2.630 1.232 1.00 0.00 H new ATOM 0 HA TYR A 77 -11.474 2.573 0.799 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.915 3.945 3.041 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -11.658 3.886 2.874 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -12.863 1.668 3.065 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.674 2.080 3.927 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -12.900 -0.494 4.279 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -8.711 -0.084 5.137 1.00 0.00 H new ATOM 0 HH TYR A 77 -9.932 -1.830 5.802 1.00 0.00 H new ATOM 1148 N GLN A 78 -11.494 4.908 -0.127 1.00 0.00 N ATOM 1149 CA GLN A 78 -11.431 6.192 -0.804 1.00 0.00 C ATOM 1150 C GLN A 78 -12.075 7.237 0.091 1.00 0.00 C ATOM 1151 O GLN A 78 -13.124 6.994 0.688 1.00 0.00 O ATOM 1152 CB GLN A 78 -12.157 6.134 -2.150 1.00 0.00 C ATOM 1153 CG GLN A 78 -13.644 6.430 -1.949 1.00 0.00 C ATOM 1154 CD GLN A 78 -14.436 5.964 -3.164 1.00 0.00 C ATOM 1155 OE1 GLN A 78 -13.801 5.587 -4.242 1.00 0.00 O flip ATOM 1156 NE2 GLN A 78 -15.666 5.945 -3.135 1.00 0.00 N flip ATOM 0 H GLN A 78 -12.403 4.447 -0.158 1.00 0.00 H new ATOM 0 HA GLN A 78 -10.390 6.450 -0.998 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -11.723 6.858 -2.840 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -12.030 5.149 -2.600 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -14.006 5.926 -1.053 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -13.793 7.499 -1.795 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -16.161 6.239 -2.293 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -16.191 5.635 -3.953 1.00 0.00 H new ATOM 1165 N ILE A 79 -11.436 8.389 0.204 1.00 0.00 N ATOM 1166 CA ILE A 79 -11.951 9.444 1.055 1.00 0.00 C ATOM 1167 C ILE A 79 -12.697 10.478 0.232 1.00 0.00 C ATOM 1168 O ILE A 79 -12.147 11.075 -0.693 1.00 0.00 O ATOM 1169 CB ILE A 79 -10.793 10.103 1.799 1.00 0.00 C ATOM 1170 CG1 ILE A 79 -9.999 9.018 2.522 1.00 0.00 C ATOM 1171 CG2 ILE A 79 -11.340 11.101 2.820 1.00 0.00 C ATOM 1172 CD1 ILE A 79 -8.760 9.626 3.175 1.00 0.00 C ATOM 0 H ILE A 79 -10.567 8.615 -0.279 1.00 0.00 H new ATOM 0 HA ILE A 79 -12.648 9.012 1.773 1.00 0.00 H new ATOM 0 HB ILE A 79 -10.150 10.631 1.094 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -10.623 8.542 3.279 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -9.704 8.241 1.817 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -10.511 11.570 3.350 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -11.921 11.866 2.306 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -11.978 10.579 3.533 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -8.199 8.845 3.689 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -8.131 10.081 2.409 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -9.064 10.387 3.894 1.00 0.00 H new ATOM 1184 N SER A 80 -13.958 10.676 0.581 1.00 0.00 N ATOM 1185 CA SER A 80 -14.794 11.629 -0.117 1.00 0.00 C ATOM 1186 C SER A 80 -14.568 13.031 0.429 1.00 0.00 C ATOM 1187 O SER A 80 -13.912 13.214 1.454 1.00 0.00 O ATOM 1188 CB SER A 80 -16.259 11.235 0.041 1.00 0.00 C ATOM 1189 OG SER A 80 -16.638 11.381 1.400 1.00 0.00 O ATOM 0 H SER A 80 -14.422 10.186 1.346 1.00 0.00 H new ATOM 0 HA SER A 80 -14.532 11.624 -1.175 1.00 0.00 H new ATOM 0 HB2 SER A 80 -16.887 11.861 -0.593 1.00 0.00 H new ATOM 0 HB3 SER A 80 -16.408 10.204 -0.282 1.00 0.00 H new ATOM 0 HG SER A 80 -16.493 12.308 1.682 1.00 0.00 H new ATOM 1195 N GLU A 81 -15.110 14.015 -0.269 1.00 0.00 N ATOM 1196 CA GLU A 81 -14.962 15.405 0.137 1.00 0.00 C ATOM 1197 C GLU A 81 -15.541 15.629 1.531 1.00 0.00 C ATOM 1198 O GLU A 81 -15.193 16.597 2.206 1.00 0.00 O ATOM 1199 CB GLU A 81 -15.669 16.313 -0.869 1.00 0.00 C ATOM 1200 CG GLU A 81 -14.996 16.173 -2.236 1.00 0.00 C ATOM 1201 CD GLU A 81 -15.666 17.096 -3.247 1.00 0.00 C ATOM 1202 OE1 GLU A 81 -16.659 17.710 -2.893 1.00 0.00 O ATOM 1203 OE2 GLU A 81 -15.174 17.178 -4.361 1.00 0.00 O ATOM 0 H GLU A 81 -15.656 13.878 -1.119 1.00 0.00 H new ATOM 0 HA GLU A 81 -13.899 15.646 0.164 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -16.723 16.045 -0.940 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -15.626 17.349 -0.534 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -13.937 16.417 -2.155 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -15.060 15.140 -2.577 1.00 0.00 H new ATOM 1210 N ASP A 82 -16.430 14.736 1.957 1.00 0.00 N ATOM 1211 CA ASP A 82 -17.044 14.868 3.274 1.00 0.00 C ATOM 1212 C ASP A 82 -16.245 14.105 4.330 1.00 0.00 C ATOM 1213 O ASP A 82 -16.591 14.121 5.511 1.00 0.00 O ATOM 1214 CB ASP A 82 -18.477 14.334 3.235 1.00 0.00 C ATOM 1215 CG ASP A 82 -18.460 12.826 3.025 1.00 0.00 C ATOM 1216 OD1 ASP A 82 -17.418 12.233 3.248 1.00 0.00 O ATOM 1217 OD2 ASP A 82 -19.487 12.286 2.649 1.00 0.00 O ATOM 0 H ASP A 82 -16.737 13.926 1.419 1.00 0.00 H new ATOM 0 HA ASP A 82 -17.052 15.925 3.541 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -18.990 14.575 4.166 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -19.033 14.816 2.431 1.00 0.00 H new ATOM 1222 N GLY A 83 -15.169 13.449 3.903 1.00 0.00 N ATOM 1223 CA GLY A 83 -14.326 12.700 4.833 1.00 0.00 C ATOM 1224 C GLY A 83 -14.821 11.267 5.028 1.00 0.00 C ATOM 1225 O GLY A 83 -14.358 10.562 5.924 1.00 0.00 O ATOM 0 H GLY A 83 -14.862 13.420 2.931 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -13.302 12.682 4.460 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -14.306 13.211 5.796 1.00 0.00 H new ATOM 1229 N GLU A 84 -15.758 10.836 4.187 1.00 0.00 N ATOM 1230 CA GLU A 84 -16.291 9.479 4.291 1.00 0.00 C ATOM 1231 C GLU A 84 -15.382 8.474 3.588 1.00 0.00 C ATOM 1232 O GLU A 84 -14.851 8.747 2.512 1.00 0.00 O ATOM 1233 CB GLU A 84 -17.692 9.415 3.679 1.00 0.00 C ATOM 1234 CG GLU A 84 -18.696 10.078 4.625 1.00 0.00 C ATOM 1235 CD GLU A 84 -18.775 9.295 5.932 1.00 0.00 C ATOM 1236 OE1 GLU A 84 -18.345 8.154 5.943 1.00 0.00 O ATOM 1237 OE2 GLU A 84 -19.268 9.849 6.901 1.00 0.00 O ATOM 0 H GLU A 84 -16.160 11.397 3.436 1.00 0.00 H new ATOM 0 HA GLU A 84 -16.342 9.220 5.349 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -17.701 9.918 2.712 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -17.975 8.378 3.501 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -18.396 11.107 4.825 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -19.679 10.119 4.156 1.00 0.00 H new ATOM 1244 N GLN A 85 -15.219 7.304 4.202 1.00 0.00 N ATOM 1245 CA GLN A 85 -14.386 6.254 3.623 1.00 0.00 C ATOM 1246 C GLN A 85 -15.244 5.104 3.116 1.00 0.00 C ATOM 1247 O GLN A 85 -16.227 4.719 3.750 1.00 0.00 O ATOM 1248 CB GLN A 85 -13.400 5.716 4.660 1.00 0.00 C ATOM 1249 CG GLN A 85 -12.235 6.689 4.822 1.00 0.00 C ATOM 1250 CD GLN A 85 -11.226 6.131 5.820 1.00 0.00 C ATOM 1251 OE1 GLN A 85 -10.149 5.538 5.382 1.00 0.00 O flip ATOM 1252 NE2 GLN A 85 -11.422 6.238 7.031 1.00 0.00 N flip ATOM 0 H GLN A 85 -15.650 7.061 5.094 1.00 0.00 H new ATOM 0 HA GLN A 85 -13.836 6.691 2.789 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -13.904 5.576 5.616 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -13.029 4.739 4.350 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -11.753 6.856 3.859 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -12.603 7.656 5.166 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -12.264 6.702 7.372 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -10.742 5.863 7.693 1.00 0.00 H new ATOM 1261 N SER A 86 -14.855 4.550 1.975 1.00 0.00 N ATOM 1262 CA SER A 86 -15.580 3.431 1.395 1.00 0.00 C ATOM 1263 C SER A 86 -14.601 2.389 0.878 1.00 0.00 C ATOM 1264 O SER A 86 -13.637 2.722 0.188 1.00 0.00 O ATOM 1265 CB SER A 86 -16.462 3.917 0.246 1.00 0.00 C ATOM 1266 OG SER A 86 -17.250 2.835 -0.232 1.00 0.00 O ATOM 0 H SER A 86 -14.045 4.857 1.436 1.00 0.00 H new ATOM 0 HA SER A 86 -16.208 2.984 2.165 1.00 0.00 H new ATOM 0 HB2 SER A 86 -17.106 4.729 0.585 1.00 0.00 H new ATOM 0 HB3 SER A 86 -15.844 4.315 -0.559 1.00 0.00 H new ATOM 0 HG SER A 86 -17.818 3.144 -0.968 1.00 0.00 H new ATOM 1272 N LEU A 87 -14.849 1.128 1.205 1.00 0.00 N ATOM 1273 CA LEU A 87 -13.969 0.066 0.749 1.00 0.00 C ATOM 1274 C LEU A 87 -14.149 -0.142 -0.748 1.00 0.00 C ATOM 1275 O LEU A 87 -15.242 -0.467 -1.212 1.00 0.00 O ATOM 1276 CB LEU A 87 -14.280 -1.236 1.495 1.00 0.00 C ATOM 1277 CG LEU A 87 -13.288 -2.330 1.071 1.00 0.00 C ATOM 1278 CD1 LEU A 87 -11.967 -2.164 1.832 1.00 0.00 C ATOM 1279 CD2 LEU A 87 -13.872 -3.714 1.384 1.00 0.00 C ATOM 0 H LEU A 87 -15.638 0.821 1.774 1.00 0.00 H new ATOM 0 HA LEU A 87 -12.937 0.350 0.953 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -14.217 -1.073 2.571 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -15.300 -1.554 1.280 1.00 0.00 H new ATOM 0 HG LEU A 87 -13.107 -2.240 -0.000 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -11.270 -2.944 1.525 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -11.539 -1.187 1.609 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -12.152 -2.244 2.903 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -13.164 -4.485 1.081 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -14.061 -3.796 2.454 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -14.807 -3.846 0.839 1.00 0.00 H new ATOM 1291 N ILE A 88 -13.075 0.057 -1.499 1.00 0.00 N ATOM 1292 CA ILE A 88 -13.135 -0.103 -2.944 1.00 0.00 C ATOM 1293 C ILE A 88 -12.395 -1.361 -3.376 1.00 0.00 C ATOM 1294 O ILE A 88 -12.680 -1.926 -4.432 1.00 0.00 O ATOM 1295 CB ILE A 88 -12.522 1.121 -3.624 1.00 0.00 C ATOM 1296 CG1 ILE A 88 -11.027 1.188 -3.300 1.00 0.00 C ATOM 1297 CG2 ILE A 88 -13.209 2.388 -3.111 1.00 0.00 C ATOM 1298 CD1 ILE A 88 -10.380 2.307 -4.118 1.00 0.00 C ATOM 0 H ILE A 88 -12.161 0.327 -1.136 1.00 0.00 H new ATOM 0 HA ILE A 88 -14.179 -0.198 -3.241 1.00 0.00 H new ATOM 0 HB ILE A 88 -12.659 1.044 -4.703 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -10.882 1.370 -2.235 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -10.551 0.234 -3.528 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -12.772 3.261 -3.596 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -14.274 2.342 -3.338 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -13.071 2.465 -2.032 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -9.316 2.356 -3.889 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -10.513 2.105 -5.181 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -10.849 3.258 -3.868 1.00 0.00 H new ATOM 1310 N LEU A 89 -11.452 -1.804 -2.554 1.00 0.00 N ATOM 1311 CA LEU A 89 -10.693 -3.006 -2.873 1.00 0.00 C ATOM 1312 C LEU A 89 -10.126 -3.649 -1.614 1.00 0.00 C ATOM 1313 O LEU A 89 -9.355 -3.032 -0.881 1.00 0.00 O ATOM 1314 CB LEU A 89 -9.546 -2.679 -3.830 1.00 0.00 C ATOM 1315 CG LEU A 89 -8.869 -3.982 -4.259 1.00 0.00 C ATOM 1316 CD1 LEU A 89 -9.780 -4.741 -5.227 1.00 0.00 C ATOM 1317 CD2 LEU A 89 -7.541 -3.670 -4.952 1.00 0.00 C ATOM 0 H LEU A 89 -11.197 -1.356 -1.674 1.00 0.00 H new ATOM 0 HA LEU A 89 -11.377 -3.708 -3.350 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -9.924 -2.146 -4.702 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -8.825 -2.023 -3.343 1.00 0.00 H new ATOM 0 HG LEU A 89 -8.683 -4.595 -3.377 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -9.295 -5.669 -5.531 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.725 -4.970 -4.734 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -9.970 -4.126 -6.106 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -7.062 -4.601 -5.256 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -7.726 -3.053 -5.831 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.888 -3.134 -4.263 1.00 0.00 H new ATOM 1329 N SER A 90 -10.500 -4.902 -1.384 1.00 0.00 N ATOM 1330 CA SER A 90 -10.010 -5.638 -0.226 1.00 0.00 C ATOM 1331 C SER A 90 -9.504 -7.006 -0.671 1.00 0.00 C ATOM 1332 O SER A 90 -10.265 -7.813 -1.206 1.00 0.00 O ATOM 1333 CB SER A 90 -11.130 -5.810 0.799 1.00 0.00 C ATOM 1334 OG SER A 90 -10.586 -6.322 2.008 1.00 0.00 O ATOM 0 H SER A 90 -11.138 -5.427 -1.981 1.00 0.00 H new ATOM 0 HA SER A 90 -9.194 -5.080 0.234 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.620 -4.854 0.983 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.891 -6.489 0.413 1.00 0.00 H new ATOM 0 HG SER A 90 -10.248 -5.582 2.554 1.00 0.00 H new ATOM 1340 N THR A 91 -8.218 -7.260 -0.458 1.00 0.00 N ATOM 1341 CA THR A 91 -7.635 -8.535 -0.856 1.00 0.00 C ATOM 1342 C THR A 91 -6.491 -8.919 0.075 1.00 0.00 C ATOM 1343 O THR A 91 -5.847 -8.056 0.667 1.00 0.00 O ATOM 1344 CB THR A 91 -7.114 -8.436 -2.292 1.00 0.00 C ATOM 1345 OG1 THR A 91 -6.924 -9.742 -2.817 1.00 0.00 O ATOM 1346 CG2 THR A 91 -5.784 -7.682 -2.301 1.00 0.00 C ATOM 0 H THR A 91 -7.567 -6.610 -0.018 1.00 0.00 H new ATOM 0 HA THR A 91 -8.406 -9.303 -0.796 1.00 0.00 H new ATOM 0 HB THR A 91 -7.838 -7.900 -2.906 1.00 0.00 H new ATOM 0 HG1 THR A 91 -6.592 -9.680 -3.737 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.413 -7.611 -3.323 1.00 0.00 H new ATOM 0 HG22 THR A 91 -5.931 -6.680 -1.898 1.00 0.00 H new ATOM 0 HG23 THR A 91 -5.059 -8.217 -1.688 1.00 0.00 H new ATOM 1354 N SER A 92 -6.235 -10.216 0.190 1.00 0.00 N ATOM 1355 CA SER A 92 -5.155 -10.696 1.043 1.00 0.00 C ATOM 1356 C SER A 92 -4.087 -11.385 0.199 1.00 0.00 C ATOM 1357 O SER A 92 -4.389 -11.977 -0.837 1.00 0.00 O ATOM 1358 CB SER A 92 -5.700 -11.673 2.084 1.00 0.00 C ATOM 1359 OG SER A 92 -6.205 -12.827 1.426 1.00 0.00 O ATOM 0 H SER A 92 -6.755 -10.949 -0.292 1.00 0.00 H new ATOM 0 HA SER A 92 -4.710 -9.843 1.555 1.00 0.00 H new ATOM 0 HB2 SER A 92 -4.912 -11.954 2.783 1.00 0.00 H new ATOM 0 HB3 SER A 92 -6.489 -11.198 2.667 1.00 0.00 H new ATOM 0 HG SER A 92 -6.695 -13.382 2.068 1.00 0.00 H new ATOM 1365 N GLN A 93 -2.843 -11.308 0.652 1.00 0.00 N ATOM 1366 CA GLN A 93 -1.743 -11.935 -0.070 1.00 0.00 C ATOM 1367 C GLN A 93 -0.669 -12.424 0.885 1.00 0.00 C ATOM 1368 O GLN A 93 -0.554 -11.940 2.011 1.00 0.00 O ATOM 1369 CB GLN A 93 -1.105 -10.942 -1.042 1.00 0.00 C ATOM 1370 CG GLN A 93 -2.128 -10.474 -2.074 1.00 0.00 C ATOM 1371 CD GLN A 93 -1.421 -9.653 -3.149 1.00 0.00 C ATOM 1372 OE1 GLN A 93 -0.127 -9.481 -3.074 1.00 0.00 O flip ATOM 1373 NE2 GLN A 93 -2.060 -9.162 -4.080 1.00 0.00 N flip ATOM 0 H GLN A 93 -2.571 -10.823 1.507 1.00 0.00 H new ATOM 0 HA GLN A 93 -2.157 -12.782 -0.617 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -0.715 -10.085 -0.493 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -0.259 -11.409 -1.546 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -2.626 -11.333 -2.525 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -2.900 -9.875 -1.592 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -3.069 -9.299 -4.134 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -1.580 -8.618 -4.797 1.00 0.00 H new ATOM 1382 N THR A 94 0.137 -13.365 0.413 1.00 0.00 N ATOM 1383 CA THR A 94 1.225 -13.888 1.216 1.00 0.00 C ATOM 1384 C THR A 94 2.548 -13.617 0.525 1.00 0.00 C ATOM 1385 O THR A 94 2.844 -14.185 -0.526 1.00 0.00 O ATOM 1386 CB THR A 94 1.054 -15.383 1.444 1.00 0.00 C ATOM 1387 OG1 THR A 94 2.288 -16.043 1.209 1.00 0.00 O ATOM 1388 CG2 THR A 94 -0.005 -15.923 0.494 1.00 0.00 C ATOM 0 H THR A 94 0.056 -13.777 -0.516 1.00 0.00 H new ATOM 0 HA THR A 94 1.214 -13.389 2.185 1.00 0.00 H new ATOM 0 HB THR A 94 0.741 -15.561 2.473 1.00 0.00 H new ATOM 0 HG1 THR A 94 2.178 -17.005 1.357 1.00 0.00 H new ATOM 0 HG21 THR A 94 -0.128 -16.994 0.657 1.00 0.00 H new ATOM 0 HG22 THR A 94 -0.952 -15.417 0.679 1.00 0.00 H new ATOM 0 HG23 THR A 94 0.306 -15.746 -0.536 1.00 0.00 H new ATOM 1396 N THR A 95 3.334 -12.739 1.122 1.00 0.00 N ATOM 1397 CA THR A 95 4.625 -12.381 0.566 1.00 0.00 C ATOM 1398 C THR A 95 5.397 -13.627 0.144 1.00 0.00 C ATOM 1399 O THR A 95 4.902 -14.716 0.386 1.00 0.00 O ATOM 1400 CB THR A 95 5.425 -11.609 1.608 1.00 0.00 C ATOM 1401 OG1 THR A 95 5.582 -12.421 2.764 1.00 0.00 O ATOM 1402 CG2 THR A 95 4.681 -10.329 1.984 1.00 0.00 C ATOM 1403 OXT THR A 95 6.471 -13.474 -0.413 1.00 0.00 O ATOM 0 H THR A 95 3.100 -12.261 1.992 1.00 0.00 H new ATOM 0 HA THR A 95 4.468 -11.760 -0.316 1.00 0.00 H new ATOM 0 HB THR A 95 6.402 -11.349 1.201 1.00 0.00 H new ATOM 0 HG1 THR A 95 5.619 -11.852 3.561 1.00 0.00 H new ATOM 0 HG21 THR A 95 5.256 -9.780 2.729 1.00 0.00 H new ATOM 0 HG22 THR A 95 4.551 -9.709 1.097 1.00 0.00 H new ATOM 0 HG23 THR A 95 3.704 -10.583 2.395 1.00 0.00 H new TER 1411 THR A 95