USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 692 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 TYR OH : rot 165:sc= 0.0599 USER MOD Set 1.2: A 79 ASN :FLIP amide:sc= -0.451 F(o=-1.7!,f=-0.39) USER MOD Set 2.1: A 66 THR OG1 : rot -110:sc= -0.276 USER MOD Set 2.2: A 69 GLN : amide:sc= 0.141 K(o=-0.14,f=-6.3!) USER MOD Set 3.1: A 4 ASN : amide:sc= -2.36! C(o=-2.4!,f=-3!) USER MOD Set 3.2: A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -147:sc= 0.0294 (180deg=0) USER MOD Single : A 2 SER OG : rot 61:sc= 0.766 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.363 X(o=-0.36,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 175:sc= -2.29 (180deg=-2.36) USER MOD Single : A 27 SER OG : rot -10:sc= -0.14 USER MOD Single : A 31 LYS NZ :NH3+ 160:sc= -1.57! (180deg=-2.16!) USER MOD Single : A 34 GLN : amide:sc= -0.0748 X(o=-0.075,f=-0.19) USER MOD Single : A 37 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0926) USER MOD Single : A 38 GLN : amide:sc= -0.0255 X(o=-0.026,f=0) USER MOD Single : A 41 HIS : no HD1:sc= -0.0615 X(o=-0.062,f=0) USER MOD Single : A 43 SER OG : rot -81:sc= 0.868 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -116:sc= -1.23 (180deg=-3.39!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -1.42 K(o=-1.4,f=-4.2!) USER MOD Single : A 71 GLN : amide:sc= -0.415 K(o=-0.42,f=-3.2!) USER MOD Single : A 72 ASN : amide:sc= -0.444 K(o=-0.44,f=-3.8!) USER MOD Single : A 74 GLN : amide:sc= -0.059 K(o=-0.059,f=-3.2!) USER MOD Single : A 78 GLN : amide:sc= -0.256 X(o=-0.26,f=-0.18) USER MOD Single : A 80 SER OG : rot -38:sc= 0.491 USER MOD Single : A 82 LYS NZ :NH3+ -161:sc= -0.0968 (180deg=-0.649) USER MOD Single : A 83 GLN : amide:sc= -9.01! C(o=-9!,f=-12!) USER MOD Single : A 84 TYR OH : rot 11:sc= 0.0547 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -152:sc= -0.975 (180deg=-1.85) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 42.125 3.018 -3.942 1.00 0.00 N ATOM 2 CA GLY A 1 40.812 3.369 -4.555 1.00 0.00 C ATOM 3 C GLY A 1 39.899 3.978 -3.490 1.00 0.00 C ATOM 4 O GLY A 1 40.347 4.657 -2.588 1.00 0.00 O ATOM 0 H1 GLY A 1 42.881 3.144 -4.645 1.00 0.00 H new ATOM 0 H2 GLY A 1 42.304 3.638 -3.126 1.00 0.00 H new ATOM 0 H3 GLY A 1 42.107 2.027 -3.627 1.00 0.00 H new ATOM 0 HA2 GLY A 1 40.957 4.076 -5.372 1.00 0.00 H new ATOM 0 HA3 GLY A 1 40.348 2.480 -4.982 1.00 0.00 H new ATOM 10 N SER A 2 38.619 3.743 -3.588 1.00 0.00 N ATOM 11 CA SER A 2 37.677 4.310 -2.582 1.00 0.00 C ATOM 12 C SER A 2 36.295 3.667 -2.755 1.00 0.00 C ATOM 13 O SER A 2 35.367 4.305 -3.210 1.00 0.00 O ATOM 14 CB SER A 2 37.565 5.821 -2.786 1.00 0.00 C ATOM 15 OG SER A 2 37.090 6.083 -4.100 1.00 0.00 O ATOM 0 H SER A 2 38.185 3.183 -4.321 1.00 0.00 H new ATOM 0 HA SER A 2 38.050 4.104 -1.578 1.00 0.00 H new ATOM 0 HB2 SER A 2 36.886 6.250 -2.049 1.00 0.00 H new ATOM 0 HB3 SER A 2 38.536 6.293 -2.637 1.00 0.00 H new ATOM 0 HG SER A 2 36.203 5.681 -4.214 1.00 0.00 H new ATOM 21 N PRO A 3 36.154 2.411 -2.398 1.00 0.00 N ATOM 22 CA PRO A 3 34.844 1.715 -2.536 1.00 0.00 C ATOM 23 C PRO A 3 33.790 2.278 -1.569 1.00 0.00 C ATOM 24 O PRO A 3 33.783 1.967 -0.395 1.00 0.00 O ATOM 25 CB PRO A 3 35.202 0.249 -2.199 1.00 0.00 C ATOM 26 CG PRO A 3 36.689 0.186 -1.784 1.00 0.00 C ATOM 27 CD PRO A 3 37.277 1.608 -1.839 1.00 0.00 C ATOM 0 HA PRO A 3 34.397 1.835 -3.523 1.00 0.00 H new ATOM 0 HB2 PRO A 3 34.568 -0.119 -1.392 1.00 0.00 H new ATOM 0 HB3 PRO A 3 35.023 -0.392 -3.062 1.00 0.00 H new ATOM 0 HG2 PRO A 3 36.784 -0.224 -0.778 1.00 0.00 H new ATOM 0 HG3 PRO A 3 37.240 -0.477 -2.451 1.00 0.00 H new ATOM 0 HD2 PRO A 3 37.574 1.961 -0.851 1.00 0.00 H new ATOM 0 HD3 PRO A 3 38.162 1.655 -2.473 1.00 0.00 H new ATOM 35 N ASN A 4 32.903 3.103 -2.055 1.00 0.00 N ATOM 36 CA ASN A 4 31.857 3.681 -1.164 1.00 0.00 C ATOM 37 C ASN A 4 30.786 4.368 -2.013 1.00 0.00 C ATOM 38 O ASN A 4 30.895 4.450 -3.220 1.00 0.00 O ATOM 39 CB ASN A 4 32.496 4.704 -0.224 1.00 0.00 C ATOM 40 CG ASN A 4 31.435 5.252 0.732 1.00 0.00 C ATOM 41 OD1 ASN A 4 30.739 4.498 1.382 1.00 0.00 O ATOM 42 ND2 ASN A 4 31.280 6.543 0.845 1.00 0.00 N ATOM 0 H ASN A 4 32.857 3.401 -3.029 1.00 0.00 H new ATOM 0 HA ASN A 4 31.400 2.884 -0.577 1.00 0.00 H new ATOM 0 HB2 ASN A 4 33.304 4.239 0.341 1.00 0.00 H new ATOM 0 HB3 ASN A 4 32.936 5.518 -0.800 1.00 0.00 H new ATOM 0 HD21 ASN A 4 30.575 6.918 1.479 1.00 0.00 H new ATOM 0 HD22 ASN A 4 31.864 7.176 0.299 1.00 0.00 H new ATOM 49 N SER A 5 29.751 4.863 -1.390 1.00 0.00 N ATOM 50 CA SER A 5 28.673 5.546 -2.161 1.00 0.00 C ATOM 51 C SER A 5 28.152 4.610 -3.252 1.00 0.00 C ATOM 52 O SER A 5 27.396 5.007 -4.116 1.00 0.00 O ATOM 53 CB SER A 5 29.232 6.817 -2.803 1.00 0.00 C ATOM 54 OG SER A 5 29.943 7.564 -1.825 1.00 0.00 O ATOM 0 H SER A 5 29.605 4.824 -0.381 1.00 0.00 H new ATOM 0 HA SER A 5 27.856 5.807 -1.488 1.00 0.00 H new ATOM 0 HB2 SER A 5 29.892 6.560 -3.631 1.00 0.00 H new ATOM 0 HB3 SER A 5 28.421 7.416 -3.216 1.00 0.00 H new ATOM 0 HG SER A 5 30.304 8.378 -2.234 1.00 0.00 H new ATOM 60 N TYR A 6 28.549 3.367 -3.221 1.00 0.00 N ATOM 61 CA TYR A 6 28.075 2.408 -4.259 1.00 0.00 C ATOM 62 C TYR A 6 26.607 2.079 -4.012 1.00 0.00 C ATOM 63 O TYR A 6 26.033 1.236 -4.672 1.00 0.00 O ATOM 64 CB TYR A 6 28.910 1.127 -4.194 1.00 0.00 C ATOM 65 CG TYR A 6 28.572 0.244 -5.373 1.00 0.00 C ATOM 66 CD1 TYR A 6 29.199 0.453 -6.607 1.00 0.00 C ATOM 67 CD2 TYR A 6 27.633 -0.784 -5.230 1.00 0.00 C ATOM 68 CE1 TYR A 6 28.887 -0.365 -7.698 1.00 0.00 C ATOM 69 CE2 TYR A 6 27.320 -1.603 -6.321 1.00 0.00 C ATOM 70 CZ TYR A 6 27.947 -1.394 -7.555 1.00 0.00 C ATOM 71 OH TYR A 6 27.639 -2.201 -8.632 1.00 0.00 O ATOM 0 H TYR A 6 29.180 2.974 -2.523 1.00 0.00 H new ATOM 0 HA TYR A 6 28.184 2.857 -5.246 1.00 0.00 H new ATOM 0 HB2 TYR A 6 29.972 1.372 -4.202 1.00 0.00 H new ATOM 0 HB3 TYR A 6 28.712 0.598 -3.262 1.00 0.00 H new ATOM 0 HD1 TYR A 6 29.924 1.246 -6.717 1.00 0.00 H new ATOM 0 HD2 TYR A 6 27.150 -0.945 -4.278 1.00 0.00 H new ATOM 0 HE1 TYR A 6 29.370 -0.203 -8.650 1.00 0.00 H new ATOM 0 HE2 TYR A 6 26.595 -2.396 -6.211 1.00 0.00 H new ATOM 0 HH TYR A 6 26.970 -2.865 -8.363 1.00 0.00 H new ATOM 81 N GLY A 7 25.986 2.750 -3.082 1.00 0.00 N ATOM 82 CA GLY A 7 24.545 2.485 -2.824 1.00 0.00 C ATOM 83 C GLY A 7 23.758 2.992 -4.030 1.00 0.00 C ATOM 84 O GLY A 7 22.963 3.904 -3.927 1.00 0.00 O ATOM 0 H GLY A 7 26.412 3.466 -2.493 1.00 0.00 H new ATOM 0 HA2 GLY A 7 24.373 1.419 -2.675 1.00 0.00 H new ATOM 0 HA3 GLY A 7 24.220 2.991 -1.915 1.00 0.00 H new ATOM 88 N ASP A 8 24.006 2.418 -5.179 1.00 0.00 N ATOM 89 CA ASP A 8 23.312 2.860 -6.422 1.00 0.00 C ATOM 90 C ASP A 8 21.834 3.145 -6.135 1.00 0.00 C ATOM 91 O ASP A 8 21.143 2.344 -5.537 1.00 0.00 O ATOM 92 CB ASP A 8 23.418 1.759 -7.481 1.00 0.00 C ATOM 93 CG ASP A 8 24.889 1.386 -7.683 1.00 0.00 C ATOM 94 OD1 ASP A 8 25.396 0.606 -6.894 1.00 0.00 O ATOM 95 OD2 ASP A 8 25.482 1.888 -8.624 1.00 0.00 O ATOM 0 H ASP A 8 24.668 1.653 -5.309 1.00 0.00 H new ATOM 0 HA ASP A 8 23.785 3.773 -6.785 1.00 0.00 H new ATOM 0 HB2 ASP A 8 22.849 0.883 -7.169 1.00 0.00 H new ATOM 0 HB3 ASP A 8 22.986 2.101 -8.421 1.00 0.00 H new ATOM 100 N LEU A 9 21.345 4.279 -6.556 1.00 0.00 N ATOM 101 CA LEU A 9 19.920 4.612 -6.307 1.00 0.00 C ATOM 102 C LEU A 9 19.634 4.465 -4.803 1.00 0.00 C ATOM 103 O LEU A 9 18.532 4.155 -4.395 1.00 0.00 O ATOM 104 CB LEU A 9 19.026 3.650 -7.140 1.00 0.00 C ATOM 105 CG LEU A 9 18.214 4.416 -8.205 1.00 0.00 C ATOM 106 CD1 LEU A 9 19.119 4.847 -9.366 1.00 0.00 C ATOM 107 CD2 LEU A 9 17.106 3.506 -8.746 1.00 0.00 C ATOM 0 H LEU A 9 21.874 4.989 -7.062 1.00 0.00 H new ATOM 0 HA LEU A 9 19.702 5.637 -6.607 1.00 0.00 H new ATOM 0 HB2 LEU A 9 19.650 2.900 -7.626 1.00 0.00 H new ATOM 0 HB3 LEU A 9 18.346 3.117 -6.476 1.00 0.00 H new ATOM 0 HG LEU A 9 17.782 5.304 -7.744 1.00 0.00 H new ATOM 0 HD11 LEU A 9 18.528 5.386 -10.107 1.00 0.00 H new ATOM 0 HD12 LEU A 9 19.909 5.497 -8.990 1.00 0.00 H new ATOM 0 HD13 LEU A 9 19.563 3.965 -9.828 1.00 0.00 H new ATOM 0 HD21 LEU A 9 16.529 4.043 -9.499 1.00 0.00 H new ATOM 0 HD22 LEU A 9 17.551 2.618 -9.195 1.00 0.00 H new ATOM 0 HD23 LEU A 9 16.448 3.209 -7.929 1.00 0.00 H new ATOM 119 N GLY A 10 20.622 4.689 -3.979 1.00 0.00 N ATOM 120 CA GLY A 10 20.410 4.564 -2.509 1.00 0.00 C ATOM 121 C GLY A 10 20.352 3.083 -2.131 1.00 0.00 C ATOM 122 O GLY A 10 20.844 2.675 -1.097 1.00 0.00 O ATOM 0 H GLY A 10 21.566 4.953 -4.261 1.00 0.00 H new ATOM 0 HA2 GLY A 10 21.219 5.057 -1.970 1.00 0.00 H new ATOM 0 HA3 GLY A 10 19.484 5.062 -2.220 1.00 0.00 H new ATOM 126 N GLY A 11 19.754 2.276 -2.962 1.00 0.00 N ATOM 127 CA GLY A 11 19.663 0.821 -2.656 1.00 0.00 C ATOM 128 C GLY A 11 18.831 0.129 -3.742 1.00 0.00 C ATOM 129 O GLY A 11 18.138 0.780 -4.497 1.00 0.00 O ATOM 0 H GLY A 11 19.324 2.562 -3.841 1.00 0.00 H new ATOM 0 HA2 GLY A 11 20.660 0.384 -2.611 1.00 0.00 H new ATOM 0 HA3 GLY A 11 19.205 0.671 -1.679 1.00 0.00 H new ATOM 133 N PRO A 12 18.889 -1.182 -3.829 1.00 0.00 N ATOM 134 CA PRO A 12 18.105 -1.915 -4.863 1.00 0.00 C ATOM 135 C PRO A 12 16.590 -1.771 -4.647 1.00 0.00 C ATOM 136 O PRO A 12 16.138 -1.381 -3.590 1.00 0.00 O ATOM 137 CB PRO A 12 18.568 -3.371 -4.657 1.00 0.00 C ATOM 138 CG PRO A 12 19.309 -3.447 -3.311 1.00 0.00 C ATOM 139 CD PRO A 12 19.726 -2.020 -2.920 1.00 0.00 C ATOM 0 HA PRO A 12 18.271 -1.540 -5.873 1.00 0.00 H new ATOM 0 HB2 PRO A 12 17.713 -4.047 -4.660 1.00 0.00 H new ATOM 0 HB3 PRO A 12 19.223 -3.682 -5.471 1.00 0.00 H new ATOM 0 HG2 PRO A 12 18.665 -3.880 -2.545 1.00 0.00 H new ATOM 0 HG3 PRO A 12 20.184 -4.091 -3.393 1.00 0.00 H new ATOM 0 HD2 PRO A 12 19.521 -1.810 -1.870 1.00 0.00 H new ATOM 0 HD3 PRO A 12 20.791 -1.850 -3.077 1.00 0.00 H new ATOM 147 N ILE A 13 15.811 -2.089 -5.642 1.00 0.00 N ATOM 148 CA ILE A 13 14.332 -1.979 -5.502 1.00 0.00 C ATOM 149 C ILE A 13 13.798 -3.235 -4.804 1.00 0.00 C ATOM 150 O ILE A 13 14.299 -4.323 -5.013 1.00 0.00 O ATOM 151 CB ILE A 13 13.704 -1.858 -6.898 1.00 0.00 C ATOM 152 CG1 ILE A 13 14.441 -0.779 -7.700 1.00 0.00 C ATOM 153 CG2 ILE A 13 12.222 -1.486 -6.785 1.00 0.00 C ATOM 154 CD1 ILE A 13 14.504 0.528 -6.899 1.00 0.00 C ATOM 0 H ILE A 13 16.136 -2.422 -6.550 1.00 0.00 H new ATOM 0 HA ILE A 13 14.078 -1.100 -4.910 1.00 0.00 H new ATOM 0 HB ILE A 13 13.790 -2.818 -7.407 1.00 0.00 H new ATOM 0 HG12 ILE A 13 15.450 -1.117 -7.937 1.00 0.00 H new ATOM 0 HG13 ILE A 13 13.931 -0.609 -8.648 1.00 0.00 H new ATOM 0 HG21 ILE A 13 11.790 -1.404 -7.783 1.00 0.00 H new ATOM 0 HG22 ILE A 13 11.695 -2.258 -6.224 1.00 0.00 H new ATOM 0 HG23 ILE A 13 12.125 -0.531 -6.268 1.00 0.00 H new ATOM 0 HD11 ILE A 13 15.030 1.286 -7.480 1.00 0.00 H new ATOM 0 HD12 ILE A 13 13.492 0.872 -6.685 1.00 0.00 H new ATOM 0 HD13 ILE A 13 15.035 0.356 -5.963 1.00 0.00 H new ATOM 166 N ILE A 14 12.807 -3.093 -3.958 1.00 0.00 N ATOM 167 CA ILE A 14 12.250 -4.268 -3.214 1.00 0.00 C ATOM 168 C ILE A 14 10.747 -4.379 -3.477 1.00 0.00 C ATOM 169 O ILE A 14 10.073 -3.386 -3.672 1.00 0.00 O ATOM 170 CB ILE A 14 12.481 -4.038 -1.717 1.00 0.00 C ATOM 171 CG1 ILE A 14 13.982 -3.898 -1.457 1.00 0.00 C ATOM 172 CG2 ILE A 14 11.936 -5.221 -0.913 1.00 0.00 C ATOM 173 CD1 ILE A 14 14.210 -3.429 -0.019 1.00 0.00 C ATOM 0 H ILE A 14 12.355 -2.203 -3.748 1.00 0.00 H new ATOM 0 HA ILE A 14 12.739 -5.185 -3.542 1.00 0.00 H new ATOM 0 HB ILE A 14 11.963 -3.130 -1.409 1.00 0.00 H new ATOM 0 HG12 ILE A 14 14.481 -4.853 -1.623 1.00 0.00 H new ATOM 0 HG13 ILE A 14 14.418 -3.185 -2.157 1.00 0.00 H new ATOM 0 HG21 ILE A 14 12.105 -5.047 0.150 1.00 0.00 H new ATOM 0 HG22 ILE A 14 10.867 -5.325 -1.098 1.00 0.00 H new ATOM 0 HG23 ILE A 14 12.447 -6.134 -1.217 1.00 0.00 H new ATOM 0 HD11 ILE A 14 15.280 -3.329 0.166 1.00 0.00 H new ATOM 0 HD12 ILE A 14 13.725 -2.465 0.130 1.00 0.00 H new ATOM 0 HD13 ILE A 14 13.789 -4.158 0.673 1.00 0.00 H new ATOM 185 N THR A 15 10.211 -5.575 -3.464 1.00 0.00 N ATOM 186 CA THR A 15 8.746 -5.771 -3.687 1.00 0.00 C ATOM 187 C THR A 15 8.199 -6.621 -2.540 1.00 0.00 C ATOM 188 O THR A 15 8.806 -7.588 -2.123 1.00 0.00 O ATOM 189 CB THR A 15 8.521 -6.499 -5.013 1.00 0.00 C ATOM 190 OG1 THR A 15 9.368 -5.945 -6.009 1.00 0.00 O ATOM 191 CG2 THR A 15 7.061 -6.348 -5.439 1.00 0.00 C ATOM 0 H THR A 15 10.735 -6.436 -3.306 1.00 0.00 H new ATOM 0 HA THR A 15 8.238 -4.807 -3.722 1.00 0.00 H new ATOM 0 HB THR A 15 8.753 -7.557 -4.889 1.00 0.00 H new ATOM 0 HG1 THR A 15 9.224 -6.413 -6.858 1.00 0.00 H new ATOM 0 HG21 THR A 15 6.902 -6.867 -6.384 1.00 0.00 H new ATOM 0 HG22 THR A 15 6.413 -6.778 -4.675 1.00 0.00 H new ATOM 0 HG23 THR A 15 6.825 -5.291 -5.562 1.00 0.00 H new ATOM 199 N THR A 16 7.056 -6.264 -2.028 1.00 0.00 N ATOM 200 CA THR A 16 6.444 -7.036 -0.901 1.00 0.00 C ATOM 201 C THR A 16 4.937 -7.136 -1.138 1.00 0.00 C ATOM 202 O THR A 16 4.342 -6.225 -1.678 1.00 0.00 O ATOM 203 CB THR A 16 6.715 -6.303 0.420 1.00 0.00 C ATOM 204 OG1 THR A 16 6.065 -6.989 1.481 1.00 0.00 O ATOM 205 CG2 THR A 16 6.187 -4.869 0.339 1.00 0.00 C ATOM 0 H THR A 16 6.510 -5.462 -2.343 1.00 0.00 H new ATOM 0 HA THR A 16 6.875 -8.036 -0.850 1.00 0.00 H new ATOM 0 HB THR A 16 7.789 -6.277 0.603 1.00 0.00 H new ATOM 0 HG1 THR A 16 6.238 -6.524 2.326 1.00 0.00 H new ATOM 0 HG21 THR A 16 6.383 -4.355 1.280 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.688 -4.342 -0.473 1.00 0.00 H new ATOM 0 HG23 THR A 16 5.113 -4.887 0.152 1.00 0.00 H new ATOM 213 N GLN A 17 4.306 -8.226 -0.750 1.00 0.00 N ATOM 214 CA GLN A 17 2.822 -8.359 -0.976 1.00 0.00 C ATOM 215 C GLN A 17 2.082 -8.336 0.363 1.00 0.00 C ATOM 216 O GLN A 17 2.576 -8.809 1.368 1.00 0.00 O ATOM 217 CB GLN A 17 2.519 -9.667 -1.709 1.00 0.00 C ATOM 218 CG GLN A 17 3.074 -9.597 -3.133 1.00 0.00 C ATOM 219 CD GLN A 17 3.021 -10.986 -3.770 1.00 0.00 C ATOM 220 OE1 GLN A 17 3.896 -11.353 -4.529 1.00 0.00 O ATOM 221 NE2 GLN A 17 2.024 -11.781 -3.491 1.00 0.00 N ATOM 0 H GLN A 17 4.748 -9.022 -0.291 1.00 0.00 H new ATOM 0 HA GLN A 17 2.484 -7.520 -1.585 1.00 0.00 H new ATOM 0 HB2 GLN A 17 2.964 -10.507 -1.175 1.00 0.00 H new ATOM 0 HB3 GLN A 17 1.443 -9.840 -1.735 1.00 0.00 H new ATOM 0 HG2 GLN A 17 2.494 -8.891 -3.727 1.00 0.00 H new ATOM 0 HG3 GLN A 17 4.101 -9.232 -3.117 1.00 0.00 H new ATOM 0 HE21 GLN A 17 1.289 -11.473 -2.854 1.00 0.00 H new ATOM 0 HE22 GLN A 17 1.980 -12.710 -3.910 1.00 0.00 H new ATOM 230 N VAL A 18 0.896 -7.771 0.375 1.00 0.00 N ATOM 231 CA VAL A 18 0.087 -7.680 1.631 1.00 0.00 C ATOM 232 C VAL A 18 -1.304 -8.268 1.374 1.00 0.00 C ATOM 233 O VAL A 18 -1.773 -8.297 0.253 1.00 0.00 O ATOM 234 CB VAL A 18 -0.065 -6.197 2.001 1.00 0.00 C ATOM 235 CG1 VAL A 18 -0.514 -6.064 3.458 1.00 0.00 C ATOM 236 CG2 VAL A 18 1.279 -5.488 1.816 1.00 0.00 C ATOM 0 H VAL A 18 0.449 -7.363 -0.446 1.00 0.00 H new ATOM 0 HA VAL A 18 0.577 -8.227 2.436 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.814 -5.742 1.354 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.619 -5.009 3.711 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.472 -6.566 3.591 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.229 -6.522 4.111 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.174 -4.435 2.078 1.00 0.00 H new ATOM 0 HG22 VAL A 18 2.026 -5.950 2.462 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.595 -5.573 0.776 1.00 0.00 H new ATOM 246 N THR A 19 -1.969 -8.726 2.406 1.00 0.00 N ATOM 247 CA THR A 19 -3.342 -9.308 2.247 1.00 0.00 C ATOM 248 C THR A 19 -4.288 -8.586 3.215 1.00 0.00 C ATOM 249 O THR A 19 -3.995 -8.437 4.385 1.00 0.00 O ATOM 250 CB THR A 19 -3.300 -10.808 2.570 1.00 0.00 C ATOM 251 OG1 THR A 19 -2.120 -11.374 2.018 1.00 0.00 O ATOM 252 CG2 THR A 19 -4.526 -11.504 1.971 1.00 0.00 C ATOM 0 H THR A 19 -1.617 -8.722 3.363 1.00 0.00 H new ATOM 0 HA THR A 19 -3.694 -9.180 1.223 1.00 0.00 H new ATOM 0 HB THR A 19 -3.303 -10.944 3.651 1.00 0.00 H new ATOM 0 HG1 THR A 19 -2.089 -12.332 2.224 1.00 0.00 H new ATOM 0 HG21 THR A 19 -4.490 -12.568 2.204 1.00 0.00 H new ATOM 0 HG22 THR A 19 -5.433 -11.071 2.393 1.00 0.00 H new ATOM 0 HG23 THR A 19 -4.529 -11.369 0.889 1.00 0.00 H new ATOM 260 N ILE A 20 -5.414 -8.126 2.725 1.00 0.00 N ATOM 261 CA ILE A 20 -6.401 -7.390 3.590 1.00 0.00 C ATOM 262 C ILE A 20 -7.784 -8.073 3.456 1.00 0.00 C ATOM 263 O ILE A 20 -8.219 -8.328 2.351 1.00 0.00 O ATOM 264 CB ILE A 20 -6.518 -5.920 3.084 1.00 0.00 C ATOM 265 CG1 ILE A 20 -6.002 -5.835 1.645 1.00 0.00 C ATOM 266 CG2 ILE A 20 -5.690 -4.976 3.968 1.00 0.00 C ATOM 267 CD1 ILE A 20 -6.309 -4.459 1.062 1.00 0.00 C ATOM 0 H ILE A 20 -5.698 -8.229 1.751 1.00 0.00 H new ATOM 0 HA ILE A 20 -6.072 -7.403 4.629 1.00 0.00 H new ATOM 0 HB ILE A 20 -7.565 -5.620 3.128 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -4.927 -6.017 1.624 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -6.468 -6.610 1.036 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -5.785 -3.955 3.598 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -6.054 -5.026 4.994 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.643 -5.276 3.940 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -5.939 -4.407 0.038 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -7.386 -4.294 1.067 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -5.822 -3.692 1.664 1.00 0.00 H new ATOM 279 N PRO A 21 -8.499 -8.347 4.530 1.00 0.00 N ATOM 280 CA PRO A 21 -9.843 -8.970 4.382 1.00 0.00 C ATOM 281 C PRO A 21 -10.762 -8.111 3.494 1.00 0.00 C ATOM 282 O PRO A 21 -10.793 -6.902 3.606 1.00 0.00 O ATOM 283 CB PRO A 21 -10.354 -9.048 5.836 1.00 0.00 C ATOM 284 CG PRO A 21 -9.247 -8.526 6.776 1.00 0.00 C ATOM 285 CD PRO A 21 -8.046 -8.074 5.924 1.00 0.00 C ATOM 0 HA PRO A 21 -9.816 -9.944 3.893 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -11.260 -8.453 5.951 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -10.613 -10.075 6.091 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.620 -7.694 7.374 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.943 -9.308 7.472 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.819 -7.019 6.075 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -7.143 -8.633 6.171 1.00 0.00 H new ATOM 293 N LYS A 22 -11.480 -8.727 2.596 1.00 0.00 N ATOM 294 CA LYS A 22 -12.365 -7.964 1.676 1.00 0.00 C ATOM 295 C LYS A 22 -13.123 -6.851 2.417 1.00 0.00 C ATOM 296 O LYS A 22 -13.288 -5.763 1.901 1.00 0.00 O ATOM 297 CB LYS A 22 -13.365 -8.935 1.041 1.00 0.00 C ATOM 298 CG LYS A 22 -14.346 -8.155 0.165 1.00 0.00 C ATOM 299 CD LYS A 22 -15.142 -9.118 -0.744 1.00 0.00 C ATOM 300 CE LYS A 22 -14.452 -9.265 -2.109 1.00 0.00 C ATOM 301 NZ LYS A 22 -12.976 -9.339 -1.922 1.00 0.00 N ATOM 0 H LYS A 22 -11.490 -9.738 2.460 1.00 0.00 H new ATOM 0 HA LYS A 22 -11.750 -7.492 0.910 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -12.837 -9.678 0.442 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -13.905 -9.477 1.817 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -15.032 -7.588 0.794 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -13.803 -7.434 -0.446 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -15.225 -10.094 -0.265 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -16.156 -8.743 -0.881 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -14.810 -10.163 -2.613 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -14.705 -8.419 -2.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -12.519 -9.523 -2.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -12.629 -8.437 -1.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -12.748 -10.108 -1.260 1.00 0.00 H new ATOM 315 N ASP A 23 -13.613 -7.108 3.599 1.00 0.00 N ATOM 316 CA ASP A 23 -14.386 -6.054 4.325 1.00 0.00 C ATOM 317 C ASP A 23 -13.507 -4.834 4.632 1.00 0.00 C ATOM 318 O ASP A 23 -13.888 -3.698 4.389 1.00 0.00 O ATOM 319 CB ASP A 23 -14.949 -6.627 5.626 1.00 0.00 C ATOM 320 CG ASP A 23 -15.853 -5.588 6.292 1.00 0.00 C ATOM 321 OD1 ASP A 23 -16.167 -4.603 5.646 1.00 0.00 O ATOM 322 OD2 ASP A 23 -16.217 -5.796 7.439 1.00 0.00 O ATOM 0 H ASP A 23 -13.514 -7.995 4.093 1.00 0.00 H new ATOM 0 HA ASP A 23 -15.205 -5.731 3.683 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -15.513 -7.537 5.421 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -14.135 -6.901 6.298 1.00 0.00 H new ATOM 327 N LEU A 24 -12.322 -5.041 5.129 1.00 0.00 N ATOM 328 CA LEU A 24 -11.420 -3.902 5.421 1.00 0.00 C ATOM 329 C LEU A 24 -10.854 -3.396 4.101 1.00 0.00 C ATOM 330 O LEU A 24 -10.360 -2.291 4.004 1.00 0.00 O ATOM 331 CB LEU A 24 -10.264 -4.387 6.320 1.00 0.00 C ATOM 332 CG LEU A 24 -10.655 -4.284 7.802 1.00 0.00 C ATOM 333 CD1 LEU A 24 -11.878 -5.163 8.081 1.00 0.00 C ATOM 334 CD2 LEU A 24 -9.476 -4.747 8.674 1.00 0.00 C ATOM 0 H LEU A 24 -11.938 -5.961 5.347 1.00 0.00 H new ATOM 0 HA LEU A 24 -11.963 -3.106 5.931 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -10.013 -5.419 6.075 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.373 -3.789 6.131 1.00 0.00 H new ATOM 0 HG LEU A 24 -10.900 -3.249 8.039 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -12.150 -5.085 9.134 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -12.713 -4.830 7.465 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -11.642 -6.200 7.843 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -9.751 -4.675 9.726 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -9.230 -5.781 8.434 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -8.610 -4.114 8.481 1.00 0.00 H new ATOM 346 N ALA A 25 -10.897 -4.211 3.085 1.00 0.00 N ATOM 347 CA ALA A 25 -10.338 -3.792 1.781 1.00 0.00 C ATOM 348 C ALA A 25 -11.167 -2.647 1.215 1.00 0.00 C ATOM 349 O ALA A 25 -10.658 -1.729 0.606 1.00 0.00 O ATOM 350 CB ALA A 25 -10.383 -4.969 0.810 1.00 0.00 C ATOM 0 H ALA A 25 -11.297 -5.149 3.106 1.00 0.00 H new ATOM 0 HA ALA A 25 -9.307 -3.465 1.918 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -9.972 -4.663 -0.152 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.794 -5.794 1.211 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -11.416 -5.292 0.677 1.00 0.00 H new ATOM 356 N ARG A 26 -12.458 -2.706 1.413 1.00 0.00 N ATOM 357 CA ARG A 26 -13.335 -1.632 0.888 1.00 0.00 C ATOM 358 C ARG A 26 -13.155 -0.400 1.762 1.00 0.00 C ATOM 359 O ARG A 26 -13.301 0.718 1.309 1.00 0.00 O ATOM 360 CB ARG A 26 -14.796 -2.089 0.890 1.00 0.00 C ATOM 361 CG ARG A 26 -14.964 -3.237 -0.108 1.00 0.00 C ATOM 362 CD ARG A 26 -16.411 -3.733 -0.084 1.00 0.00 C ATOM 363 NE ARG A 26 -16.610 -4.732 -1.172 1.00 0.00 N ATOM 364 CZ ARG A 26 -17.660 -5.506 -1.164 1.00 0.00 C ATOM 365 NH1 ARG A 26 -18.538 -5.405 -0.203 1.00 0.00 N ATOM 366 NH2 ARG A 26 -17.833 -6.381 -2.117 1.00 0.00 N ATOM 0 H ARG A 26 -12.937 -3.453 1.916 1.00 0.00 H new ATOM 0 HA ARG A 26 -13.064 -1.396 -0.141 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -15.087 -2.414 1.889 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -15.450 -1.259 0.622 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -14.701 -2.901 -1.111 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -14.286 -4.052 0.143 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -16.637 -4.182 0.883 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -17.096 -2.896 -0.214 1.00 0.00 H new ATOM 0 HE ARG A 26 -15.925 -4.811 -1.923 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -18.403 -4.721 0.541 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -19.359 -6.010 -0.197 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -17.147 -6.460 -2.868 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -18.654 -6.986 -2.111 1.00 0.00 H new ATOM 380 N SER A 27 -12.822 -0.584 3.012 1.00 0.00 N ATOM 381 CA SER A 27 -12.613 0.587 3.901 1.00 0.00 C ATOM 382 C SER A 27 -11.296 1.274 3.527 1.00 0.00 C ATOM 383 O SER A 27 -11.137 2.464 3.711 1.00 0.00 O ATOM 384 CB SER A 27 -12.539 0.114 5.353 1.00 0.00 C ATOM 385 OG SER A 27 -11.484 -0.830 5.486 1.00 0.00 O ATOM 0 H SER A 27 -12.687 -1.494 3.452 1.00 0.00 H new ATOM 0 HA SER A 27 -13.440 1.287 3.786 1.00 0.00 H new ATOM 0 HB2 SER A 27 -12.369 0.962 6.016 1.00 0.00 H new ATOM 0 HB3 SER A 27 -13.486 -0.337 5.649 1.00 0.00 H new ATOM 0 HG SER A 27 -11.152 -1.077 4.598 1.00 0.00 H new ATOM 391 N ILE A 28 -10.326 0.530 3.045 1.00 0.00 N ATOM 392 CA ILE A 28 -9.005 1.143 2.716 1.00 0.00 C ATOM 393 C ILE A 28 -8.982 1.657 1.273 1.00 0.00 C ATOM 394 O ILE A 28 -8.475 2.725 0.991 1.00 0.00 O ATOM 395 CB ILE A 28 -7.925 0.074 2.885 1.00 0.00 C ATOM 396 CG1 ILE A 28 -7.846 -0.345 4.355 1.00 0.00 C ATOM 397 CG2 ILE A 28 -6.578 0.628 2.435 1.00 0.00 C ATOM 398 CD1 ILE A 28 -7.033 -1.636 4.477 1.00 0.00 C ATOM 0 H ILE A 28 -10.395 -0.472 2.867 1.00 0.00 H new ATOM 0 HA ILE A 28 -8.827 1.987 3.382 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.177 -0.794 2.275 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.383 0.446 4.945 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -8.849 -0.495 4.755 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.811 -0.137 2.557 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -6.636 0.919 1.386 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.322 1.498 3.040 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -6.977 -1.933 5.524 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -7.515 -2.426 3.901 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -6.026 -1.470 4.093 1.00 0.00 H new ATOM 410 N ILE A 29 -9.505 0.892 0.356 1.00 0.00 N ATOM 411 CA ILE A 29 -9.483 1.332 -1.067 1.00 0.00 C ATOM 412 C ILE A 29 -10.421 2.526 -1.262 1.00 0.00 C ATOM 413 O ILE A 29 -10.144 3.408 -2.044 1.00 0.00 O ATOM 414 CB ILE A 29 -9.910 0.173 -1.978 1.00 0.00 C ATOM 415 CG1 ILE A 29 -8.987 -1.037 -1.750 1.00 0.00 C ATOM 416 CG2 ILE A 29 -9.816 0.610 -3.442 1.00 0.00 C ATOM 417 CD1 ILE A 29 -9.655 -2.302 -2.298 1.00 0.00 C ATOM 0 H ILE A 29 -9.944 -0.013 0.528 1.00 0.00 H new ATOM 0 HA ILE A 29 -8.469 1.635 -1.329 1.00 0.00 H new ATOM 0 HB ILE A 29 -10.937 -0.105 -1.743 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -8.029 -0.875 -2.245 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -8.780 -1.154 -0.686 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -10.119 -0.214 -4.088 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -10.473 1.464 -3.610 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -8.789 0.892 -3.672 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -9.000 -3.158 -2.136 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -10.601 -2.466 -1.783 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -9.839 -2.183 -3.366 1.00 0.00 H new ATOM 429 N GLY A 30 -11.534 2.574 -0.585 1.00 0.00 N ATOM 430 CA GLY A 30 -12.469 3.720 -0.785 1.00 0.00 C ATOM 431 C GLY A 30 -13.422 3.368 -1.929 1.00 0.00 C ATOM 432 O GLY A 30 -13.453 2.245 -2.392 1.00 0.00 O ATOM 0 H GLY A 30 -11.837 1.876 0.094 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -13.029 3.917 0.129 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -11.913 4.628 -1.020 1.00 0.00 H new ATOM 436 N LYS A 31 -14.204 4.308 -2.392 1.00 0.00 N ATOM 437 CA LYS A 31 -15.153 4.007 -3.509 1.00 0.00 C ATOM 438 C LYS A 31 -14.490 4.312 -4.857 1.00 0.00 C ATOM 439 O LYS A 31 -14.999 3.954 -5.900 1.00 0.00 O ATOM 440 CB LYS A 31 -16.405 4.868 -3.358 1.00 0.00 C ATOM 441 CG LYS A 31 -17.491 4.374 -4.319 1.00 0.00 C ATOM 442 CD LYS A 31 -18.823 5.048 -3.981 1.00 0.00 C ATOM 443 CE LYS A 31 -18.661 6.570 -4.025 1.00 0.00 C ATOM 444 NZ LYS A 31 -17.790 6.946 -5.174 1.00 0.00 N ATOM 0 H LYS A 31 -14.228 5.268 -2.048 1.00 0.00 H new ATOM 0 HA LYS A 31 -15.423 2.952 -3.472 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -16.767 4.823 -2.331 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -16.168 5.911 -3.567 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -17.209 4.598 -5.348 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -17.591 3.291 -4.245 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -19.590 4.734 -4.689 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -19.157 4.737 -2.991 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -19.636 7.047 -4.123 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -18.224 6.927 -3.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -17.945 7.946 -5.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -16.793 6.803 -4.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -18.023 6.352 -5.995 1.00 0.00 H new ATOM 458 N GLY A 32 -13.365 4.979 -4.846 1.00 0.00 N ATOM 459 CA GLY A 32 -12.673 5.315 -6.131 1.00 0.00 C ATOM 460 C GLY A 32 -11.160 5.194 -5.947 1.00 0.00 C ATOM 461 O GLY A 32 -10.396 5.728 -6.724 1.00 0.00 O ATOM 0 H GLY A 32 -12.893 5.307 -4.003 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -13.008 4.644 -6.922 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -12.932 6.327 -6.441 1.00 0.00 H new ATOM 465 N GLY A 33 -10.711 4.514 -4.929 1.00 0.00 N ATOM 466 CA GLY A 33 -9.240 4.398 -4.724 1.00 0.00 C ATOM 467 C GLY A 33 -8.712 5.722 -4.167 1.00 0.00 C ATOM 468 O GLY A 33 -7.563 5.827 -3.790 1.00 0.00 O ATOM 0 H GLY A 33 -11.291 4.039 -4.237 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -9.018 3.584 -4.034 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -8.745 4.161 -5.666 1.00 0.00 H new ATOM 472 N GLN A 34 -9.540 6.744 -4.154 1.00 0.00 N ATOM 473 CA GLN A 34 -9.108 8.090 -3.668 1.00 0.00 C ATOM 474 C GLN A 34 -8.131 7.966 -2.490 1.00 0.00 C ATOM 475 O GLN A 34 -7.313 8.838 -2.267 1.00 0.00 O ATOM 476 CB GLN A 34 -10.355 8.842 -3.193 1.00 0.00 C ATOM 477 CG GLN A 34 -10.030 10.328 -3.060 1.00 0.00 C ATOM 478 CD GLN A 34 -9.896 10.949 -4.452 1.00 0.00 C ATOM 479 OE1 GLN A 34 -8.800 11.165 -4.930 1.00 0.00 O ATOM 480 NE2 GLN A 34 -10.972 11.249 -5.126 1.00 0.00 N ATOM 0 H GLN A 34 -10.510 6.697 -4.465 1.00 0.00 H new ATOM 0 HA GLN A 34 -8.605 8.618 -4.478 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -11.171 8.699 -3.901 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -10.690 8.444 -2.235 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -10.816 10.834 -2.499 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -9.104 10.460 -2.501 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -11.892 11.068 -4.725 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -10.893 11.665 -6.054 1.00 0.00 H new ATOM 489 N ARG A 35 -8.208 6.912 -1.716 1.00 0.00 N ATOM 490 CA ARG A 35 -7.279 6.789 -0.548 1.00 0.00 C ATOM 491 C ARG A 35 -5.962 6.156 -1.001 1.00 0.00 C ATOM 492 O ARG A 35 -4.904 6.513 -0.523 1.00 0.00 O ATOM 493 CB ARG A 35 -7.920 5.915 0.544 1.00 0.00 C ATOM 494 CG ARG A 35 -7.092 5.994 1.843 1.00 0.00 C ATOM 495 CD ARG A 35 -7.501 7.224 2.669 1.00 0.00 C ATOM 496 NE ARG A 35 -8.964 7.180 2.947 1.00 0.00 N ATOM 497 CZ ARG A 35 -9.477 7.953 3.866 1.00 0.00 C ATOM 498 NH1 ARG A 35 -8.709 8.766 4.539 1.00 0.00 N ATOM 499 NH2 ARG A 35 -10.758 7.912 4.111 1.00 0.00 N ATOM 0 H ARG A 35 -8.864 6.141 -1.838 1.00 0.00 H new ATOM 0 HA ARG A 35 -7.085 7.782 -0.144 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -8.941 6.247 0.734 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -7.980 4.881 0.204 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -7.240 5.088 2.431 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -6.030 6.047 1.602 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -6.944 7.246 3.606 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -7.251 8.137 2.128 1.00 0.00 H new ATOM 0 HE ARG A 35 -9.565 6.546 2.420 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -7.708 8.798 4.347 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -9.110 9.370 5.257 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -11.358 7.276 3.585 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -11.160 8.515 4.829 1.00 0.00 H new ATOM 513 N ILE A 36 -6.001 5.238 -1.925 1.00 0.00 N ATOM 514 CA ILE A 36 -4.726 4.626 -2.396 1.00 0.00 C ATOM 515 C ILE A 36 -3.976 5.663 -3.253 1.00 0.00 C ATOM 516 O ILE A 36 -2.772 5.604 -3.401 1.00 0.00 O ATOM 517 CB ILE A 36 -5.030 3.321 -3.176 1.00 0.00 C ATOM 518 CG1 ILE A 36 -4.956 2.109 -2.220 1.00 0.00 C ATOM 519 CG2 ILE A 36 -4.046 3.121 -4.340 1.00 0.00 C ATOM 520 CD1 ILE A 36 -3.498 1.675 -1.988 1.00 0.00 C ATOM 0 H ILE A 36 -6.849 4.887 -2.371 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.088 4.352 -1.556 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.035 3.404 -3.590 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.419 2.365 -1.267 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.524 1.278 -2.637 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.287 2.197 -4.866 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.123 3.962 -5.030 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.029 3.062 -3.951 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.476 0.821 -1.312 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.046 1.396 -2.940 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.938 2.500 -1.548 1.00 0.00 H new ATOM 532 N LYS A 37 -4.679 6.618 -3.804 1.00 0.00 N ATOM 533 CA LYS A 37 -4.003 7.659 -4.630 1.00 0.00 C ATOM 534 C LYS A 37 -3.231 8.605 -3.706 1.00 0.00 C ATOM 535 O LYS A 37 -2.068 8.882 -3.918 1.00 0.00 O ATOM 536 CB LYS A 37 -5.052 8.456 -5.407 1.00 0.00 C ATOM 537 CG LYS A 37 -5.880 7.509 -6.276 1.00 0.00 C ATOM 538 CD LYS A 37 -6.794 8.326 -7.191 1.00 0.00 C ATOM 539 CE LYS A 37 -7.850 7.410 -7.809 1.00 0.00 C ATOM 540 NZ LYS A 37 -7.190 6.429 -8.716 1.00 0.00 N ATOM 0 H LYS A 37 -5.690 6.721 -3.717 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.317 7.183 -5.331 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -5.702 8.992 -4.715 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.565 9.205 -6.031 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -5.222 6.876 -6.872 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -6.475 6.847 -5.647 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -7.276 9.123 -6.624 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -6.207 8.803 -7.976 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.396 6.886 -7.024 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -8.579 8.001 -8.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.911 5.945 -9.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.528 6.928 -9.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -6.669 5.729 -8.150 1.00 0.00 H new ATOM 554 N GLN A 38 -3.873 9.108 -2.687 1.00 0.00 N ATOM 555 CA GLN A 38 -3.177 10.041 -1.754 1.00 0.00 C ATOM 556 C GLN A 38 -1.936 9.361 -1.168 1.00 0.00 C ATOM 557 O GLN A 38 -0.849 9.901 -1.202 1.00 0.00 O ATOM 558 CB GLN A 38 -4.128 10.434 -0.621 1.00 0.00 C ATOM 559 CG GLN A 38 -5.218 11.358 -1.167 1.00 0.00 C ATOM 560 CD GLN A 38 -6.176 11.741 -0.036 1.00 0.00 C ATOM 561 OE1 GLN A 38 -6.288 12.900 0.314 1.00 0.00 O ATOM 562 NE2 GLN A 38 -6.876 10.811 0.552 1.00 0.00 N ATOM 0 H GLN A 38 -4.848 8.914 -2.460 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.872 10.934 -2.300 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -4.578 9.543 -0.184 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.576 10.935 0.174 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.769 12.254 -1.597 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -5.764 10.860 -1.968 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -6.782 9.839 0.258 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -7.518 11.056 1.306 1.00 0.00 H new ATOM 571 N ILE A 39 -2.088 8.182 -0.630 1.00 0.00 N ATOM 572 CA ILE A 39 -0.916 7.473 -0.041 1.00 0.00 C ATOM 573 C ILE A 39 0.179 7.324 -1.101 1.00 0.00 C ATOM 574 O ILE A 39 1.356 7.348 -0.801 1.00 0.00 O ATOM 575 CB ILE A 39 -1.350 6.088 0.440 1.00 0.00 C ATOM 576 CG1 ILE A 39 -2.427 6.237 1.518 1.00 0.00 C ATOM 577 CG2 ILE A 39 -0.146 5.346 1.023 1.00 0.00 C ATOM 578 CD1 ILE A 39 -3.077 4.878 1.782 1.00 0.00 C ATOM 0 H ILE A 39 -2.973 7.679 -0.573 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.530 8.048 0.801 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.751 5.523 -0.401 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.986 6.626 2.436 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.181 6.956 1.197 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.458 4.359 1.365 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.621 5.239 0.256 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.257 5.911 1.863 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.844 4.984 2.549 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.532 4.508 0.863 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.319 4.172 2.122 1.00 0.00 H new ATOM 590 N ARG A 40 -0.203 7.159 -2.336 1.00 0.00 N ATOM 591 CA ARG A 40 0.809 6.996 -3.421 1.00 0.00 C ATOM 592 C ARG A 40 1.731 8.219 -3.471 1.00 0.00 C ATOM 593 O ARG A 40 2.919 8.121 -3.235 1.00 0.00 O ATOM 594 CB ARG A 40 0.090 6.849 -4.765 1.00 0.00 C ATOM 595 CG ARG A 40 1.072 6.334 -5.820 1.00 0.00 C ATOM 596 CD ARG A 40 0.375 6.287 -7.181 1.00 0.00 C ATOM 597 NE ARG A 40 0.123 7.676 -7.659 1.00 0.00 N ATOM 598 CZ ARG A 40 -0.192 7.890 -8.907 1.00 0.00 C ATOM 599 NH1 ARG A 40 -0.286 6.888 -9.737 1.00 0.00 N ATOM 600 NH2 ARG A 40 -0.410 9.106 -9.326 1.00 0.00 N ATOM 0 H ARG A 40 -1.175 7.130 -2.644 1.00 0.00 H new ATOM 0 HA ARG A 40 1.407 6.107 -3.220 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.748 6.159 -4.667 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.322 7.809 -5.075 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.945 6.984 -5.868 1.00 0.00 H new ATOM 0 HG3 ARG A 40 1.429 5.341 -5.547 1.00 0.00 H new ATOM 0 HD2 ARG A 40 0.994 5.750 -7.900 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.566 5.742 -7.101 1.00 0.00 H new ATOM 0 HE ARG A 40 0.197 8.460 -7.010 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -0.113 5.937 -9.410 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -0.532 7.055 -10.713 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -0.334 9.890 -8.678 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -0.656 9.273 -10.302 1.00 0.00 H new ATOM 614 N HIS A 41 1.198 9.366 -3.792 1.00 0.00 N ATOM 615 CA HIS A 41 2.047 10.589 -3.874 1.00 0.00 C ATOM 616 C HIS A 41 2.659 10.901 -2.505 1.00 0.00 C ATOM 617 O HIS A 41 3.799 11.309 -2.405 1.00 0.00 O ATOM 618 CB HIS A 41 1.190 11.771 -4.329 1.00 0.00 C ATOM 619 CG HIS A 41 2.053 12.997 -4.455 1.00 0.00 C ATOM 620 ND1 HIS A 41 2.721 13.314 -5.627 1.00 0.00 N ATOM 621 CD2 HIS A 41 2.366 13.994 -3.564 1.00 0.00 C ATOM 622 CE1 HIS A 41 3.397 14.458 -5.412 1.00 0.00 C ATOM 623 NE2 HIS A 41 3.215 14.915 -4.171 1.00 0.00 N ATOM 0 H HIS A 41 0.210 9.510 -4.001 1.00 0.00 H new ATOM 0 HA HIS A 41 2.850 10.417 -4.590 1.00 0.00 H new ATOM 0 HB2 HIS A 41 0.719 11.545 -5.285 1.00 0.00 H new ATOM 0 HB3 HIS A 41 0.388 11.950 -3.613 1.00 0.00 H new ATOM 0 HD2 HIS A 41 2.008 14.054 -2.547 1.00 0.00 H new ATOM 0 HE1 HIS A 41 4.012 14.947 -6.153 1.00 0.00 H new ATOM 0 HE2 HIS A 41 3.613 15.758 -3.757 1.00 0.00 H new ATOM 631 N GLU A 42 1.910 10.724 -1.452 1.00 0.00 N ATOM 632 CA GLU A 42 2.451 11.024 -0.094 1.00 0.00 C ATOM 633 C GLU A 42 3.662 10.136 0.202 1.00 0.00 C ATOM 634 O GLU A 42 4.664 10.593 0.716 1.00 0.00 O ATOM 635 CB GLU A 42 1.366 10.781 0.958 1.00 0.00 C ATOM 636 CG GLU A 42 1.811 11.376 2.295 1.00 0.00 C ATOM 637 CD GLU A 42 1.771 12.903 2.214 1.00 0.00 C ATOM 638 OE1 GLU A 42 1.133 13.412 1.308 1.00 0.00 O ATOM 639 OE2 GLU A 42 2.379 13.537 3.061 1.00 0.00 O ATOM 0 H GLU A 42 0.948 10.385 -1.472 1.00 0.00 H new ATOM 0 HA GLU A 42 2.762 12.068 -0.061 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.428 11.235 0.640 1.00 0.00 H new ATOM 0 HB3 GLU A 42 1.182 9.712 1.066 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.159 11.027 3.095 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.820 11.041 2.536 1.00 0.00 H new ATOM 646 N SER A 43 3.579 8.867 -0.098 1.00 0.00 N ATOM 647 CA SER A 43 4.726 7.954 0.190 1.00 0.00 C ATOM 648 C SER A 43 5.721 7.962 -0.974 1.00 0.00 C ATOM 649 O SER A 43 6.876 7.625 -0.812 1.00 0.00 O ATOM 650 CB SER A 43 4.205 6.534 0.406 1.00 0.00 C ATOM 651 OG SER A 43 3.892 5.952 -0.853 1.00 0.00 O ATOM 0 H SER A 43 2.768 8.423 -0.529 1.00 0.00 H new ATOM 0 HA SER A 43 5.235 8.301 1.089 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.955 5.933 0.921 1.00 0.00 H new ATOM 0 HB3 SER A 43 3.320 6.552 1.042 1.00 0.00 H new ATOM 0 HG SER A 43 3.006 6.255 -1.142 1.00 0.00 H new ATOM 657 N GLY A 44 5.282 8.320 -2.149 1.00 0.00 N ATOM 658 CA GLY A 44 6.212 8.318 -3.316 1.00 0.00 C ATOM 659 C GLY A 44 6.385 6.874 -3.783 1.00 0.00 C ATOM 660 O GLY A 44 7.108 6.587 -4.717 1.00 0.00 O ATOM 0 H GLY A 44 4.326 8.612 -2.352 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.812 8.933 -4.122 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.175 8.745 -3.036 1.00 0.00 H new ATOM 664 N ALA A 45 5.721 5.967 -3.125 1.00 0.00 N ATOM 665 CA ALA A 45 5.821 4.528 -3.492 1.00 0.00 C ATOM 666 C ALA A 45 4.834 4.204 -4.612 1.00 0.00 C ATOM 667 O ALA A 45 3.862 4.899 -4.829 1.00 0.00 O ATOM 668 CB ALA A 45 5.481 3.677 -2.267 1.00 0.00 C ATOM 0 H ALA A 45 5.104 6.165 -2.337 1.00 0.00 H new ATOM 0 HA ALA A 45 6.834 4.313 -3.832 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.552 2.621 -2.527 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.182 3.901 -1.463 1.00 0.00 H new ATOM 0 HB3 ALA A 45 4.467 3.902 -1.937 1.00 0.00 H new ATOM 674 N SER A 46 5.061 3.104 -5.281 1.00 0.00 N ATOM 675 CA SER A 46 4.129 2.648 -6.354 1.00 0.00 C ATOM 676 C SER A 46 3.381 1.445 -5.787 1.00 0.00 C ATOM 677 O SER A 46 3.954 0.653 -5.064 1.00 0.00 O ATOM 678 CB SER A 46 4.926 2.227 -7.590 1.00 0.00 C ATOM 679 OG SER A 46 4.036 1.704 -8.567 1.00 0.00 O ATOM 0 H SER A 46 5.864 2.494 -5.127 1.00 0.00 H new ATOM 0 HA SER A 46 3.443 3.442 -6.650 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.468 3.081 -7.996 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.669 1.477 -7.320 1.00 0.00 H new ATOM 0 HG SER A 46 4.543 1.435 -9.361 1.00 0.00 H new ATOM 685 N ILE A 47 2.109 1.295 -6.064 1.00 0.00 N ATOM 686 CA ILE A 47 1.341 0.142 -5.495 1.00 0.00 C ATOM 687 C ILE A 47 0.437 -0.471 -6.564 1.00 0.00 C ATOM 688 O ILE A 47 -0.192 0.227 -7.336 1.00 0.00 O ATOM 689 CB ILE A 47 0.482 0.645 -4.321 1.00 0.00 C ATOM 690 CG1 ILE A 47 1.403 1.123 -3.189 1.00 0.00 C ATOM 691 CG2 ILE A 47 -0.409 -0.492 -3.804 1.00 0.00 C ATOM 692 CD1 ILE A 47 0.576 1.782 -2.084 1.00 0.00 C ATOM 0 H ILE A 47 1.568 1.921 -6.660 1.00 0.00 H new ATOM 0 HA ILE A 47 2.039 -0.620 -5.148 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.146 1.469 -4.660 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.961 0.280 -2.783 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.134 1.831 -3.579 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.015 -0.130 -2.973 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.062 -0.836 -4.606 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.216 -1.318 -3.465 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.238 2.118 -1.286 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.038 2.637 -2.493 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.138 1.061 -1.685 1.00 0.00 H new ATOM 704 N LYS A 48 0.369 -1.777 -6.610 1.00 0.00 N ATOM 705 CA LYS A 48 -0.484 -2.483 -7.613 1.00 0.00 C ATOM 706 C LYS A 48 -1.432 -3.420 -6.864 1.00 0.00 C ATOM 707 O LYS A 48 -1.011 -4.186 -6.020 1.00 0.00 O ATOM 708 CB LYS A 48 0.418 -3.309 -8.533 1.00 0.00 C ATOM 709 CG LYS A 48 -0.408 -3.900 -9.677 1.00 0.00 C ATOM 710 CD LYS A 48 0.502 -4.721 -10.599 1.00 0.00 C ATOM 711 CE LYS A 48 1.046 -5.956 -9.859 1.00 0.00 C ATOM 712 NZ LYS A 48 2.315 -5.597 -9.162 1.00 0.00 N ATOM 0 H LYS A 48 0.880 -2.396 -5.981 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.054 -1.766 -8.204 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.215 -2.683 -8.934 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.896 -4.109 -7.967 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.202 -4.531 -9.277 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.889 -3.101 -10.242 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -0.054 -5.035 -11.483 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.330 -4.103 -10.946 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.311 -6.315 -9.138 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.223 -6.768 -10.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.101 -6.143 -9.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.501 -4.581 -9.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.229 -5.816 -8.149 1.00 0.00 H new ATOM 726 N ILE A 49 -2.708 -3.368 -7.151 1.00 0.00 N ATOM 727 CA ILE A 49 -3.689 -4.251 -6.448 1.00 0.00 C ATOM 728 C ILE A 49 -4.050 -5.423 -7.367 1.00 0.00 C ATOM 729 O ILE A 49 -4.283 -5.247 -8.547 1.00 0.00 O ATOM 730 CB ILE A 49 -4.936 -3.421 -6.118 1.00 0.00 C ATOM 731 CG1 ILE A 49 -4.493 -2.117 -5.438 1.00 0.00 C ATOM 732 CG2 ILE A 49 -5.848 -4.209 -5.174 1.00 0.00 C ATOM 733 CD1 ILE A 49 -5.711 -1.262 -5.088 1.00 0.00 C ATOM 0 H ILE A 49 -3.116 -2.746 -7.849 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.265 -4.647 -5.525 1.00 0.00 H new ATOM 0 HB ILE A 49 -5.484 -3.197 -7.033 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.927 -2.344 -4.534 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.828 -1.562 -6.099 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.732 -3.615 -4.943 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.151 -5.140 -5.654 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.311 -4.434 -4.253 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.383 -0.341 -4.607 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -6.260 -1.020 -5.998 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.360 -1.815 -4.409 1.00 0.00 H new ATOM 745 N ASP A 50 -4.102 -6.621 -6.838 1.00 0.00 N ATOM 746 CA ASP A 50 -4.448 -7.810 -7.679 1.00 0.00 C ATOM 747 C ASP A 50 -5.942 -8.107 -7.536 1.00 0.00 C ATOM 748 O ASP A 50 -6.542 -7.824 -6.517 1.00 0.00 O ATOM 749 CB ASP A 50 -3.647 -9.019 -7.191 1.00 0.00 C ATOM 750 CG ASP A 50 -3.879 -10.201 -8.135 1.00 0.00 C ATOM 751 OD1 ASP A 50 -3.803 -9.996 -9.337 1.00 0.00 O ATOM 752 OD2 ASP A 50 -4.126 -11.289 -7.643 1.00 0.00 O ATOM 0 H ASP A 50 -3.919 -6.828 -5.856 1.00 0.00 H new ATOM 0 HA ASP A 50 -4.210 -7.606 -8.723 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.586 -8.774 -7.153 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -3.950 -9.284 -6.178 1.00 0.00 H new ATOM 757 N GLU A 51 -6.550 -8.690 -8.535 1.00 0.00 N ATOM 758 CA GLU A 51 -7.993 -9.019 -8.440 1.00 0.00 C ATOM 759 C GLU A 51 -8.182 -10.111 -7.370 1.00 0.00 C ATOM 760 O GLU A 51 -7.272 -10.873 -7.111 1.00 0.00 O ATOM 761 CB GLU A 51 -8.466 -9.539 -9.809 1.00 0.00 C ATOM 762 CG GLU A 51 -7.388 -10.431 -10.454 1.00 0.00 C ATOM 763 CD GLU A 51 -6.383 -9.571 -11.230 1.00 0.00 C ATOM 764 OE1 GLU A 51 -6.396 -8.366 -11.044 1.00 0.00 O ATOM 765 OE2 GLU A 51 -5.619 -10.135 -11.997 1.00 0.00 O ATOM 0 H GLU A 51 -6.103 -8.951 -9.414 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.573 -8.138 -8.163 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -9.390 -10.105 -9.689 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.690 -8.698 -10.465 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.870 -11.002 -9.684 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.856 -11.151 -11.125 1.00 0.00 H new ATOM 772 N PRO A 52 -9.340 -10.201 -6.749 1.00 0.00 N ATOM 773 CA PRO A 52 -9.566 -11.246 -5.705 1.00 0.00 C ATOM 774 C PRO A 52 -9.532 -12.670 -6.286 1.00 0.00 C ATOM 775 O PRO A 52 -9.865 -12.893 -7.433 1.00 0.00 O ATOM 776 CB PRO A 52 -10.973 -10.888 -5.187 1.00 0.00 C ATOM 777 CG PRO A 52 -11.623 -9.949 -6.214 1.00 0.00 C ATOM 778 CD PRO A 52 -10.494 -9.292 -7.022 1.00 0.00 C ATOM 0 HA PRO A 52 -8.796 -11.252 -4.934 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -11.574 -11.788 -5.058 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.910 -10.404 -4.212 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -12.291 -10.505 -6.872 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -12.226 -9.192 -5.713 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -10.730 -9.242 -8.085 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.296 -8.272 -6.691 1.00 0.00 H new ATOM 786 N LEU A 53 -9.139 -13.634 -5.492 1.00 0.00 N ATOM 787 CA LEU A 53 -9.087 -15.045 -5.981 1.00 0.00 C ATOM 788 C LEU A 53 -10.393 -15.753 -5.609 1.00 0.00 C ATOM 789 O LEU A 53 -11.189 -15.241 -4.846 1.00 0.00 O ATOM 790 CB LEU A 53 -7.908 -15.770 -5.321 1.00 0.00 C ATOM 791 CG LEU A 53 -6.677 -14.862 -5.328 1.00 0.00 C ATOM 792 CD1 LEU A 53 -5.484 -15.615 -4.733 1.00 0.00 C ATOM 793 CD2 LEU A 53 -6.354 -14.447 -6.767 1.00 0.00 C ATOM 0 H LEU A 53 -8.851 -13.504 -4.522 1.00 0.00 H new ATOM 0 HA LEU A 53 -8.959 -15.055 -7.063 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -8.164 -16.044 -4.298 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -7.692 -16.696 -5.855 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.879 -13.972 -4.732 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.607 -14.968 -4.738 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.713 -15.908 -3.708 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.282 -16.505 -5.329 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.477 -13.800 -6.771 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.152 -15.335 -7.365 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -7.203 -13.910 -7.190 1.00 0.00 H new ATOM 805 N GLU A 54 -10.624 -16.926 -6.137 1.00 0.00 N ATOM 806 CA GLU A 54 -11.879 -17.661 -5.812 1.00 0.00 C ATOM 807 C GLU A 54 -11.682 -18.458 -4.522 1.00 0.00 C ATOM 808 O GLU A 54 -10.631 -19.017 -4.278 1.00 0.00 O ATOM 809 CB GLU A 54 -12.218 -18.622 -6.952 1.00 0.00 C ATOM 810 CG GLU A 54 -12.554 -17.822 -8.213 1.00 0.00 C ATOM 811 CD GLU A 54 -12.918 -18.784 -9.346 1.00 0.00 C ATOM 812 OE1 GLU A 54 -12.019 -19.189 -10.064 1.00 0.00 O ATOM 813 OE2 GLU A 54 -14.089 -19.101 -9.475 1.00 0.00 O ATOM 0 H GLU A 54 -9.995 -17.407 -6.781 1.00 0.00 H new ATOM 0 HA GLU A 54 -12.693 -16.948 -5.682 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -11.376 -19.286 -7.144 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -13.063 -19.251 -6.672 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -13.385 -17.144 -8.016 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -11.703 -17.207 -8.504 1.00 0.00 H new ATOM 820 N GLY A 55 -12.689 -18.516 -3.698 1.00 0.00 N ATOM 821 CA GLY A 55 -12.569 -19.279 -2.423 1.00 0.00 C ATOM 822 C GLY A 55 -11.704 -18.497 -1.435 1.00 0.00 C ATOM 823 O GLY A 55 -10.924 -19.063 -0.696 1.00 0.00 O ATOM 0 H GLY A 55 -13.592 -18.068 -3.851 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -13.557 -19.453 -1.998 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -12.127 -20.257 -2.613 1.00 0.00 H new ATOM 827 N SER A 56 -11.835 -17.199 -1.414 1.00 0.00 N ATOM 828 CA SER A 56 -11.019 -16.384 -0.471 1.00 0.00 C ATOM 829 C SER A 56 -11.465 -14.921 -0.541 1.00 0.00 C ATOM 830 O SER A 56 -10.964 -14.147 -1.332 1.00 0.00 O ATOM 831 CB SER A 56 -9.543 -16.485 -0.857 1.00 0.00 C ATOM 832 OG SER A 56 -8.794 -15.544 -0.100 1.00 0.00 O ATOM 0 H SER A 56 -12.471 -16.668 -2.009 1.00 0.00 H new ATOM 0 HA SER A 56 -11.157 -16.757 0.544 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.175 -17.494 -0.671 1.00 0.00 H new ATOM 0 HB3 SER A 56 -9.420 -16.292 -1.923 1.00 0.00 H new ATOM 0 HG SER A 56 -7.847 -15.607 -0.344 1.00 0.00 H new ATOM 838 N GLU A 57 -12.405 -14.537 0.280 1.00 0.00 N ATOM 839 CA GLU A 57 -12.880 -13.126 0.258 1.00 0.00 C ATOM 840 C GLU A 57 -11.771 -12.206 0.778 1.00 0.00 C ATOM 841 O GLU A 57 -11.964 -11.450 1.707 1.00 0.00 O ATOM 842 CB GLU A 57 -14.118 -12.989 1.148 1.00 0.00 C ATOM 843 CG GLU A 57 -15.286 -13.752 0.518 1.00 0.00 C ATOM 844 CD GLU A 57 -14.986 -15.252 0.535 1.00 0.00 C ATOM 845 OE1 GLU A 57 -14.761 -15.779 1.612 1.00 0.00 O ATOM 846 OE2 GLU A 57 -14.986 -15.848 -0.529 1.00 0.00 O ATOM 0 H GLU A 57 -12.863 -15.139 0.964 1.00 0.00 H new ATOM 0 HA GLU A 57 -13.136 -12.845 -0.764 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -13.909 -13.381 2.143 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -14.379 -11.937 1.267 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -16.205 -13.548 1.067 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -15.445 -13.414 -0.506 1.00 0.00 H new ATOM 853 N ASP A 58 -10.609 -12.273 0.176 1.00 0.00 N ATOM 854 CA ASP A 58 -9.461 -11.415 0.613 1.00 0.00 C ATOM 855 C ASP A 58 -8.923 -10.646 -0.596 1.00 0.00 C ATOM 856 O ASP A 58 -9.047 -11.073 -1.727 1.00 0.00 O ATOM 857 CB ASP A 58 -8.353 -12.302 1.185 1.00 0.00 C ATOM 858 CG ASP A 58 -8.884 -13.062 2.402 1.00 0.00 C ATOM 859 OD1 ASP A 58 -9.797 -13.853 2.229 1.00 0.00 O ATOM 860 OD2 ASP A 58 -8.369 -12.840 3.485 1.00 0.00 O ATOM 0 H ASP A 58 -10.404 -12.892 -0.608 1.00 0.00 H new ATOM 0 HA ASP A 58 -9.795 -10.713 1.377 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.007 -13.005 0.427 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.495 -11.693 1.470 1.00 0.00 H new ATOM 865 N ARG A 59 -8.308 -9.516 -0.349 1.00 0.00 N ATOM 866 CA ARG A 59 -7.724 -8.686 -1.449 1.00 0.00 C ATOM 867 C ARG A 59 -6.212 -8.595 -1.225 1.00 0.00 C ATOM 868 O ARG A 59 -5.759 -8.458 -0.108 1.00 0.00 O ATOM 869 CB ARG A 59 -8.334 -7.279 -1.387 1.00 0.00 C ATOM 870 CG ARG A 59 -9.786 -7.307 -1.913 1.00 0.00 C ATOM 871 CD ARG A 59 -9.815 -7.121 -3.436 1.00 0.00 C ATOM 872 NE ARG A 59 -9.573 -5.687 -3.767 1.00 0.00 N ATOM 873 CZ ARG A 59 -9.258 -5.343 -4.985 1.00 0.00 C ATOM 874 NH1 ARG A 59 -9.106 -6.258 -5.902 1.00 0.00 N ATOM 875 NH2 ARG A 59 -9.086 -4.085 -5.283 1.00 0.00 N ATOM 0 H ARG A 59 -8.184 -9.127 0.586 1.00 0.00 H new ATOM 0 HA ARG A 59 -7.935 -9.131 -2.422 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -8.318 -6.912 -0.361 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -7.736 -6.588 -1.982 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -10.256 -8.254 -1.648 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -10.367 -6.519 -1.434 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -9.055 -7.746 -3.904 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -10.779 -7.439 -3.834 1.00 0.00 H new ATOM 0 HE ARG A 59 -9.654 -4.975 -3.041 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -9.234 -7.242 -5.666 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -8.860 -5.989 -6.855 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -9.198 -3.371 -4.564 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -8.840 -3.816 -6.235 1.00 0.00 H new ATOM 889 N ILE A 60 -5.424 -8.704 -2.270 1.00 0.00 N ATOM 890 CA ILE A 60 -3.931 -8.655 -2.104 1.00 0.00 C ATOM 891 C ILE A 60 -3.357 -7.375 -2.724 1.00 0.00 C ATOM 892 O ILE A 60 -3.865 -6.856 -3.697 1.00 0.00 O ATOM 893 CB ILE A 60 -3.326 -9.890 -2.771 1.00 0.00 C ATOM 894 CG1 ILE A 60 -3.702 -11.117 -1.934 1.00 0.00 C ATOM 895 CG2 ILE A 60 -1.800 -9.763 -2.824 1.00 0.00 C ATOM 896 CD1 ILE A 60 -3.360 -12.386 -2.698 1.00 0.00 C ATOM 0 H ILE A 60 -5.748 -8.825 -3.230 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.682 -8.648 -1.043 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.706 -9.987 -3.788 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -3.168 -11.098 -0.984 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.767 -11.097 -1.701 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.378 -10.647 -3.301 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.528 -8.877 -3.398 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.407 -9.674 -1.811 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.629 -13.255 -2.098 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.914 -12.406 -3.636 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.291 -12.407 -2.908 1.00 0.00 H new ATOM 908 N ILE A 61 -2.295 -6.869 -2.145 1.00 0.00 N ATOM 909 CA ILE A 61 -1.667 -5.615 -2.672 1.00 0.00 C ATOM 910 C ILE A 61 -0.152 -5.787 -2.795 1.00 0.00 C ATOM 911 O ILE A 61 0.472 -6.434 -1.980 1.00 0.00 O ATOM 912 CB ILE A 61 -1.946 -4.460 -1.708 1.00 0.00 C ATOM 913 CG1 ILE A 61 -3.443 -4.152 -1.704 1.00 0.00 C ATOM 914 CG2 ILE A 61 -1.178 -3.215 -2.164 1.00 0.00 C ATOM 915 CD1 ILE A 61 -3.764 -3.179 -0.565 1.00 0.00 C ATOM 0 H ILE A 61 -1.835 -7.271 -1.328 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.091 -5.403 -3.654 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.625 -4.741 -0.705 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.738 -3.719 -2.660 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -4.014 -5.073 -1.581 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.377 -2.393 -1.477 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.109 -3.430 -2.173 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.500 -2.936 -3.167 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.832 -2.960 -0.563 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.484 -3.629 0.388 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.205 -2.254 -0.708 1.00 0.00 H new ATOM 927 N THR A 62 0.436 -5.201 -3.810 1.00 0.00 N ATOM 928 CA THR A 62 1.918 -5.311 -4.010 1.00 0.00 C ATOM 929 C THR A 62 2.545 -3.915 -3.930 1.00 0.00 C ATOM 930 O THR A 62 2.186 -3.020 -4.669 1.00 0.00 O ATOM 931 CB THR A 62 2.196 -5.923 -5.388 1.00 0.00 C ATOM 932 OG1 THR A 62 1.563 -7.192 -5.475 1.00 0.00 O ATOM 933 CG2 THR A 62 3.703 -6.092 -5.579 1.00 0.00 C ATOM 0 H THR A 62 -0.050 -4.647 -4.515 1.00 0.00 H new ATOM 0 HA THR A 62 2.350 -5.946 -3.236 1.00 0.00 H new ATOM 0 HB THR A 62 1.805 -5.265 -6.164 1.00 0.00 H new ATOM 0 HG1 THR A 62 1.738 -7.585 -6.356 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.899 -6.527 -6.559 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.190 -5.119 -5.510 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.096 -6.750 -4.804 1.00 0.00 H new ATOM 941 N ILE A 63 3.478 -3.719 -3.028 1.00 0.00 N ATOM 942 CA ILE A 63 4.137 -2.384 -2.877 1.00 0.00 C ATOM 943 C ILE A 63 5.519 -2.420 -3.535 1.00 0.00 C ATOM 944 O ILE A 63 6.279 -3.341 -3.310 1.00 0.00 O ATOM 945 CB ILE A 63 4.321 -2.089 -1.386 1.00 0.00 C ATOM 946 CG1 ILE A 63 3.004 -2.360 -0.649 1.00 0.00 C ATOM 947 CG2 ILE A 63 4.731 -0.622 -1.206 1.00 0.00 C ATOM 948 CD1 ILE A 63 3.108 -1.871 0.797 1.00 0.00 C ATOM 0 H ILE A 63 3.814 -4.435 -2.384 1.00 0.00 H new ATOM 0 HA ILE A 63 3.520 -1.618 -3.347 1.00 0.00 H new ATOM 0 HB ILE A 63 5.100 -2.731 -0.975 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.183 -1.853 -1.155 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.780 -3.427 -0.666 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.863 -0.409 -0.145 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.668 -0.439 -1.732 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.954 0.025 -1.612 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.169 -2.066 1.316 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.918 -2.398 1.302 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.311 -0.800 0.805 1.00 0.00 H new ATOM 960 N THR A 64 5.869 -1.432 -4.327 1.00 0.00 N ATOM 961 CA THR A 64 7.230 -1.432 -4.969 1.00 0.00 C ATOM 962 C THR A 64 7.884 -0.066 -4.758 1.00 0.00 C ATOM 963 O THR A 64 7.288 0.961 -5.014 1.00 0.00 O ATOM 964 CB THR A 64 7.098 -1.714 -6.467 1.00 0.00 C ATOM 965 OG1 THR A 64 6.236 -2.826 -6.663 1.00 0.00 O ATOM 966 CG2 THR A 64 8.475 -2.025 -7.054 1.00 0.00 C ATOM 0 H THR A 64 5.279 -0.632 -4.557 1.00 0.00 H new ATOM 0 HA THR A 64 7.846 -2.208 -4.515 1.00 0.00 H new ATOM 0 HB THR A 64 6.683 -0.838 -6.966 1.00 0.00 H new ATOM 0 HG1 THR A 64 6.149 -3.007 -7.622 1.00 0.00 H new ATOM 0 HG21 THR A 64 8.379 -2.226 -8.121 1.00 0.00 H new ATOM 0 HG22 THR A 64 9.136 -1.171 -6.903 1.00 0.00 H new ATOM 0 HG23 THR A 64 8.893 -2.900 -6.557 1.00 0.00 H new ATOM 974 N GLY A 65 9.102 -0.039 -4.281 1.00 0.00 N ATOM 975 CA GLY A 65 9.799 1.254 -4.038 1.00 0.00 C ATOM 976 C GLY A 65 10.987 1.005 -3.100 1.00 0.00 C ATOM 977 O GLY A 65 11.313 -0.123 -2.789 1.00 0.00 O ATOM 0 H GLY A 65 9.647 -0.869 -4.048 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.144 1.680 -4.980 1.00 0.00 H new ATOM 0 HA3 GLY A 65 9.113 1.976 -3.595 1.00 0.00 H new ATOM 981 N THR A 66 11.635 2.042 -2.644 1.00 0.00 N ATOM 982 CA THR A 66 12.798 1.844 -1.726 1.00 0.00 C ATOM 983 C THR A 66 12.299 1.388 -0.350 1.00 0.00 C ATOM 984 O THR A 66 11.153 1.569 0.009 1.00 0.00 O ATOM 985 CB THR A 66 13.586 3.149 -1.592 1.00 0.00 C ATOM 986 OG1 THR A 66 12.683 4.232 -1.421 1.00 0.00 O ATOM 987 CG2 THR A 66 14.423 3.371 -2.853 1.00 0.00 C ATOM 0 H THR A 66 11.413 3.013 -2.864 1.00 0.00 H new ATOM 0 HA THR A 66 13.454 1.078 -2.139 1.00 0.00 H new ATOM 0 HB THR A 66 14.246 3.089 -0.727 1.00 0.00 H new ATOM 0 HG1 THR A 66 12.686 4.791 -2.226 1.00 0.00 H new ATOM 0 HG21 THR A 66 14.984 4.300 -2.758 1.00 0.00 H new ATOM 0 HG22 THR A 66 15.116 2.540 -2.981 1.00 0.00 H new ATOM 0 HG23 THR A 66 13.765 3.431 -3.720 1.00 0.00 H new ATOM 995 N GLN A 67 13.173 0.777 0.410 1.00 0.00 N ATOM 996 CA GLN A 67 12.802 0.267 1.764 1.00 0.00 C ATOM 997 C GLN A 67 12.029 1.337 2.543 1.00 0.00 C ATOM 998 O GLN A 67 11.008 1.064 3.143 1.00 0.00 O ATOM 999 CB GLN A 67 14.096 -0.106 2.526 1.00 0.00 C ATOM 1000 CG GLN A 67 13.879 -1.373 3.362 1.00 0.00 C ATOM 1001 CD GLN A 67 12.636 -1.205 4.235 1.00 0.00 C ATOM 1002 OE1 GLN A 67 11.526 -1.388 3.776 1.00 0.00 O ATOM 1003 NE2 GLN A 67 12.776 -0.861 5.485 1.00 0.00 N ATOM 0 H GLN A 67 14.143 0.608 0.144 1.00 0.00 H new ATOM 0 HA GLN A 67 12.164 -0.611 1.660 1.00 0.00 H new ATOM 0 HB2 GLN A 67 14.909 -0.265 1.818 1.00 0.00 H new ATOM 0 HB3 GLN A 67 14.394 0.718 3.174 1.00 0.00 H new ATOM 0 HG2 GLN A 67 13.762 -2.237 2.708 1.00 0.00 H new ATOM 0 HG3 GLN A 67 14.752 -1.562 3.987 1.00 0.00 H new ATOM 0 HE21 GLN A 67 13.708 -0.707 5.870 1.00 0.00 H new ATOM 0 HE22 GLN A 67 11.954 -0.746 6.077 1.00 0.00 H new ATOM 1012 N ASP A 68 12.514 2.545 2.551 1.00 0.00 N ATOM 1013 CA ASP A 68 11.813 3.619 3.305 1.00 0.00 C ATOM 1014 C ASP A 68 10.483 3.943 2.628 1.00 0.00 C ATOM 1015 O ASP A 68 9.466 4.069 3.282 1.00 0.00 O ATOM 1016 CB ASP A 68 12.689 4.874 3.352 1.00 0.00 C ATOM 1017 CG ASP A 68 11.980 5.961 4.162 1.00 0.00 C ATOM 1018 OD1 ASP A 68 11.430 5.634 5.201 1.00 0.00 O ATOM 1019 OD2 ASP A 68 11.999 7.102 3.730 1.00 0.00 O ATOM 0 H ASP A 68 13.365 2.835 2.069 1.00 0.00 H new ATOM 0 HA ASP A 68 11.622 3.276 4.322 1.00 0.00 H new ATOM 0 HB2 ASP A 68 13.654 4.640 3.803 1.00 0.00 H new ATOM 0 HB3 ASP A 68 12.887 5.230 2.341 1.00 0.00 H new ATOM 1024 N GLN A 69 10.468 4.085 1.333 1.00 0.00 N ATOM 1025 CA GLN A 69 9.187 4.404 0.648 1.00 0.00 C ATOM 1026 C GLN A 69 8.162 3.310 0.956 1.00 0.00 C ATOM 1027 O GLN A 69 6.982 3.566 1.094 1.00 0.00 O ATOM 1028 CB GLN A 69 9.416 4.482 -0.863 1.00 0.00 C ATOM 1029 CG GLN A 69 10.212 5.746 -1.197 1.00 0.00 C ATOM 1030 CD GLN A 69 10.641 5.706 -2.664 1.00 0.00 C ATOM 1031 OE1 GLN A 69 11.814 5.800 -2.969 1.00 0.00 O ATOM 1032 NE2 GLN A 69 9.736 5.569 -3.593 1.00 0.00 N ATOM 0 H GLN A 69 11.281 3.995 0.724 1.00 0.00 H new ATOM 0 HA GLN A 69 8.814 5.364 1.004 1.00 0.00 H new ATOM 0 HB2 GLN A 69 9.956 3.599 -1.205 1.00 0.00 H new ATOM 0 HB3 GLN A 69 8.460 4.494 -1.386 1.00 0.00 H new ATOM 0 HG2 GLN A 69 9.605 6.631 -1.009 1.00 0.00 H new ATOM 0 HG3 GLN A 69 11.088 5.818 -0.553 1.00 0.00 H new ATOM 0 HE21 GLN A 69 8.751 5.490 -3.338 1.00 0.00 H new ATOM 0 HE22 GLN A 69 10.013 5.541 -4.574 1.00 0.00 H new ATOM 1041 N ILE A 70 8.613 2.087 1.067 1.00 0.00 N ATOM 1042 CA ILE A 70 7.688 0.955 1.369 1.00 0.00 C ATOM 1043 C ILE A 70 7.244 1.007 2.835 1.00 0.00 C ATOM 1044 O ILE A 70 6.077 0.854 3.134 1.00 0.00 O ATOM 1045 CB ILE A 70 8.411 -0.375 1.104 1.00 0.00 C ATOM 1046 CG1 ILE A 70 8.614 -0.551 -0.405 1.00 0.00 C ATOM 1047 CG2 ILE A 70 7.573 -1.542 1.643 1.00 0.00 C ATOM 1048 CD1 ILE A 70 9.537 -1.745 -0.666 1.00 0.00 C ATOM 0 H ILE A 70 9.592 1.822 0.960 1.00 0.00 H new ATOM 0 HA ILE A 70 6.809 1.035 0.730 1.00 0.00 H new ATOM 0 HB ILE A 70 9.378 -0.364 1.608 1.00 0.00 H new ATOM 0 HG12 ILE A 70 7.653 -0.708 -0.895 1.00 0.00 H new ATOM 0 HG13 ILE A 70 9.045 0.355 -0.832 1.00 0.00 H new ATOM 0 HG21 ILE A 70 8.092 -2.481 1.452 1.00 0.00 H new ATOM 0 HG22 ILE A 70 7.427 -1.420 2.716 1.00 0.00 H new ATOM 0 HG23 ILE A 70 6.604 -1.555 1.144 1.00 0.00 H new ATOM 0 HD11 ILE A 70 9.679 -1.867 -1.740 1.00 0.00 H new ATOM 0 HD12 ILE A 70 10.502 -1.570 -0.190 1.00 0.00 H new ATOM 0 HD13 ILE A 70 9.088 -2.649 -0.254 1.00 0.00 H new ATOM 1060 N GLN A 71 8.148 1.221 3.756 1.00 0.00 N ATOM 1061 CA GLN A 71 7.760 1.283 5.192 1.00 0.00 C ATOM 1062 C GLN A 71 6.764 2.422 5.399 1.00 0.00 C ATOM 1063 O GLN A 71 5.780 2.281 6.099 1.00 0.00 O ATOM 1064 CB GLN A 71 9.011 1.544 6.032 1.00 0.00 C ATOM 1065 CG GLN A 71 8.690 1.316 7.508 1.00 0.00 C ATOM 1066 CD GLN A 71 8.567 -0.193 7.774 1.00 0.00 C ATOM 1067 OE1 GLN A 71 8.714 -0.988 6.866 1.00 0.00 O ATOM 1068 NE2 GLN A 71 8.301 -0.632 8.981 1.00 0.00 N ATOM 0 H GLN A 71 9.142 1.356 3.572 1.00 0.00 H new ATOM 0 HA GLN A 71 7.301 0.341 5.493 1.00 0.00 H new ATOM 0 HB2 GLN A 71 9.818 0.882 5.718 1.00 0.00 H new ATOM 0 HB3 GLN A 71 9.359 2.565 5.878 1.00 0.00 H new ATOM 0 HG2 GLN A 71 9.474 1.744 8.133 1.00 0.00 H new ATOM 0 HG3 GLN A 71 7.761 1.820 7.772 1.00 0.00 H new ATOM 0 HE21 GLN A 71 8.176 0.029 9.748 1.00 0.00 H new ATOM 0 HE22 GLN A 71 8.219 -1.634 9.153 1.00 0.00 H new ATOM 1077 N ASN A 72 7.008 3.551 4.792 1.00 0.00 N ATOM 1078 CA ASN A 72 6.073 4.698 4.948 1.00 0.00 C ATOM 1079 C ASN A 72 4.707 4.297 4.396 1.00 0.00 C ATOM 1080 O ASN A 72 3.676 4.681 4.911 1.00 0.00 O ATOM 1081 CB ASN A 72 6.611 5.900 4.168 1.00 0.00 C ATOM 1082 CG ASN A 72 7.885 6.416 4.839 1.00 0.00 C ATOM 1083 OD1 ASN A 72 8.672 5.643 5.350 1.00 0.00 O ATOM 1084 ND2 ASN A 72 8.124 7.698 4.861 1.00 0.00 N ATOM 0 H ASN A 72 7.816 3.728 4.194 1.00 0.00 H new ATOM 0 HA ASN A 72 5.981 4.966 6.001 1.00 0.00 H new ATOM 0 HB2 ASN A 72 6.821 5.614 3.137 1.00 0.00 H new ATOM 0 HB3 ASN A 72 5.860 6.690 4.133 1.00 0.00 H new ATOM 0 HD21 ASN A 72 8.971 8.051 5.307 1.00 0.00 H new ATOM 0 HD22 ASN A 72 7.464 8.347 4.432 1.00 0.00 H new ATOM 1091 N ALA A 73 4.699 3.527 3.344 1.00 0.00 N ATOM 1092 CA ALA A 73 3.410 3.094 2.742 1.00 0.00 C ATOM 1093 C ALA A 73 2.751 2.040 3.636 1.00 0.00 C ATOM 1094 O ALA A 73 1.564 2.083 3.892 1.00 0.00 O ATOM 1095 CB ALA A 73 3.681 2.493 1.361 1.00 0.00 C ATOM 0 H ALA A 73 5.534 3.178 2.874 1.00 0.00 H new ATOM 0 HA ALA A 73 2.744 3.952 2.648 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.741 2.173 0.913 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.150 3.243 0.724 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.346 1.635 1.462 1.00 0.00 H new ATOM 1101 N GLN A 74 3.513 1.087 4.104 1.00 0.00 N ATOM 1102 CA GLN A 74 2.945 0.018 4.973 1.00 0.00 C ATOM 1103 C GLN A 74 2.303 0.630 6.220 1.00 0.00 C ATOM 1104 O GLN A 74 1.191 0.297 6.580 1.00 0.00 O ATOM 1105 CB GLN A 74 4.065 -0.932 5.402 1.00 0.00 C ATOM 1106 CG GLN A 74 4.503 -1.781 4.207 1.00 0.00 C ATOM 1107 CD GLN A 74 5.725 -2.616 4.595 1.00 0.00 C ATOM 1108 OE1 GLN A 74 6.706 -2.088 5.081 1.00 0.00 O ATOM 1109 NE2 GLN A 74 5.709 -3.906 4.400 1.00 0.00 N ATOM 0 H GLN A 74 4.513 1.004 3.919 1.00 0.00 H new ATOM 0 HA GLN A 74 2.185 -0.526 4.412 1.00 0.00 H new ATOM 0 HB2 GLN A 74 4.911 -0.363 5.786 1.00 0.00 H new ATOM 0 HB3 GLN A 74 3.720 -1.575 6.211 1.00 0.00 H new ATOM 0 HG2 GLN A 74 3.688 -2.433 3.893 1.00 0.00 H new ATOM 0 HG3 GLN A 74 4.742 -1.139 3.359 1.00 0.00 H new ATOM 0 HE21 GLN A 74 4.886 -4.350 3.992 1.00 0.00 H new ATOM 0 HE22 GLN A 74 6.519 -4.470 4.655 1.00 0.00 H new ATOM 1118 N TYR A 75 2.991 1.509 6.894 1.00 0.00 N ATOM 1119 CA TYR A 75 2.409 2.114 8.126 1.00 0.00 C ATOM 1120 C TYR A 75 1.111 2.850 7.783 1.00 0.00 C ATOM 1121 O TYR A 75 0.138 2.766 8.506 1.00 0.00 O ATOM 1122 CB TYR A 75 3.409 3.085 8.754 1.00 0.00 C ATOM 1123 CG TYR A 75 2.865 3.585 10.072 1.00 0.00 C ATOM 1124 CD1 TYR A 75 3.149 2.892 11.255 1.00 0.00 C ATOM 1125 CD2 TYR A 75 2.076 4.740 10.110 1.00 0.00 C ATOM 1126 CE1 TYR A 75 2.644 3.355 12.476 1.00 0.00 C ATOM 1127 CE2 TYR A 75 1.572 5.204 11.331 1.00 0.00 C ATOM 1128 CZ TYR A 75 1.856 4.511 12.514 1.00 0.00 C ATOM 1129 OH TYR A 75 1.358 4.968 13.717 1.00 0.00 O ATOM 0 H TYR A 75 3.926 1.834 6.648 1.00 0.00 H new ATOM 0 HA TYR A 75 2.189 1.321 8.841 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.367 2.588 8.909 1.00 0.00 H new ATOM 0 HB3 TYR A 75 3.590 3.923 8.081 1.00 0.00 H new ATOM 0 HD1 TYR A 75 3.758 2.000 11.226 1.00 0.00 H new ATOM 0 HD2 TYR A 75 1.856 5.274 9.197 1.00 0.00 H new ATOM 0 HE1 TYR A 75 2.863 2.820 13.388 1.00 0.00 H new ATOM 0 HE2 TYR A 75 0.964 6.096 11.360 1.00 0.00 H new ATOM 0 HH TYR A 75 1.042 5.890 13.611 1.00 0.00 H new ATOM 1139 N LEU A 76 1.075 3.571 6.694 1.00 0.00 N ATOM 1140 CA LEU A 76 -0.181 4.294 6.344 1.00 0.00 C ATOM 1141 C LEU A 76 -1.269 3.270 6.015 1.00 0.00 C ATOM 1142 O LEU A 76 -2.445 3.535 6.165 1.00 0.00 O ATOM 1143 CB LEU A 76 0.052 5.220 5.143 1.00 0.00 C ATOM 1144 CG LEU A 76 1.071 6.319 5.506 1.00 0.00 C ATOM 1145 CD1 LEU A 76 1.714 6.867 4.229 1.00 0.00 C ATOM 1146 CD2 LEU A 76 0.367 7.469 6.238 1.00 0.00 C ATOM 0 H LEU A 76 1.849 3.690 6.040 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.495 4.905 7.190 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.417 4.642 4.294 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.890 5.675 4.837 1.00 0.00 H new ATOM 0 HG LEU A 76 1.835 5.888 6.153 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.434 7.643 4.488 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.225 6.060 3.703 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.942 7.288 3.585 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.095 8.240 6.490 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.403 7.894 5.593 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.093 7.092 7.151 1.00 0.00 H new ATOM 1158 N LEU A 77 -0.892 2.094 5.592 1.00 0.00 N ATOM 1159 CA LEU A 77 -1.918 1.059 5.287 1.00 0.00 C ATOM 1160 C LEU A 77 -2.461 0.519 6.612 1.00 0.00 C ATOM 1161 O LEU A 77 -3.654 0.380 6.800 1.00 0.00 O ATOM 1162 CB LEU A 77 -1.289 -0.087 4.473 1.00 0.00 C ATOM 1163 CG LEU A 77 -1.227 0.290 2.977 1.00 0.00 C ATOM 1164 CD1 LEU A 77 -0.182 -0.579 2.270 1.00 0.00 C ATOM 1165 CD2 LEU A 77 -2.591 0.066 2.302 1.00 0.00 C ATOM 0 H LEU A 77 0.076 1.807 5.445 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.725 1.496 4.698 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.286 -0.298 4.844 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.874 -0.998 4.602 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.958 1.343 2.901 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.140 -0.311 1.214 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.795 -0.416 2.725 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.456 -1.629 2.367 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.525 0.338 1.249 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.872 -0.984 2.389 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.344 0.685 2.790 1.00 0.00 H new ATOM 1177 N GLN A 78 -1.586 0.226 7.537 1.00 0.00 N ATOM 1178 CA GLN A 78 -2.029 -0.293 8.861 1.00 0.00 C ATOM 1179 C GLN A 78 -2.903 0.756 9.551 1.00 0.00 C ATOM 1180 O GLN A 78 -3.880 0.438 10.199 1.00 0.00 O ATOM 1181 CB GLN A 78 -0.797 -0.578 9.728 1.00 0.00 C ATOM 1182 CG GLN A 78 -1.213 -1.396 10.953 1.00 0.00 C ATOM 1183 CD GLN A 78 -1.556 -2.824 10.523 1.00 0.00 C ATOM 1184 OE1 GLN A 78 -2.637 -3.309 10.792 1.00 0.00 O ATOM 1185 NE2 GLN A 78 -0.675 -3.523 9.862 1.00 0.00 N ATOM 0 H GLN A 78 -0.577 0.325 7.430 1.00 0.00 H new ATOM 0 HA GLN A 78 -2.602 -1.210 8.723 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -0.051 -1.123 9.150 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -0.336 0.358 10.042 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -0.406 -1.410 11.685 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -2.074 -0.934 11.436 1.00 0.00 H new ATOM 0 HE21 GLN A 78 0.233 -3.117 9.636 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -0.894 -4.476 9.571 1.00 0.00 H new ATOM 1194 N ASN A 79 -2.556 2.013 9.422 1.00 0.00 N ATOM 1195 CA ASN A 79 -3.371 3.077 10.077 1.00 0.00 C ATOM 1196 C ASN A 79 -4.627 3.338 9.244 1.00 0.00 C ATOM 1197 O ASN A 79 -5.624 3.804 9.760 1.00 0.00 O ATOM 1198 CB ASN A 79 -2.549 4.358 10.240 1.00 0.00 C ATOM 1199 CG ASN A 79 -1.570 4.189 11.403 1.00 0.00 C ATOM 1200 OD1 ASN A 79 -0.856 3.099 11.485 1.00 0.00 O flip ATOM 1201 ND2 ASN A 79 -1.452 5.057 12.245 1.00 0.00 N flip ATOM 0 H ASN A 79 -1.748 2.345 8.894 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.668 2.744 11.071 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -2.005 4.573 9.320 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.209 5.205 10.426 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -2.010 5.909 12.181 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -0.795 4.934 13.016 1.00 0.00 H new ATOM 1208 N SER A 80 -4.611 3.048 7.974 1.00 0.00 N ATOM 1209 CA SER A 80 -5.844 3.300 7.177 1.00 0.00 C ATOM 1210 C SER A 80 -6.944 2.399 7.742 1.00 0.00 C ATOM 1211 O SER A 80 -8.096 2.774 7.823 1.00 0.00 O ATOM 1212 CB SER A 80 -5.597 2.977 5.704 1.00 0.00 C ATOM 1213 OG SER A 80 -5.410 1.576 5.555 1.00 0.00 O ATOM 0 H SER A 80 -3.820 2.657 7.463 1.00 0.00 H new ATOM 0 HA SER A 80 -6.136 4.348 7.241 1.00 0.00 H new ATOM 0 HB2 SER A 80 -6.442 3.309 5.100 1.00 0.00 H new ATOM 0 HB3 SER A 80 -4.719 3.513 5.345 1.00 0.00 H new ATOM 0 HG SER A 80 -4.900 1.231 6.318 1.00 0.00 H new ATOM 1219 N VAL A 81 -6.574 1.205 8.127 1.00 0.00 N ATOM 1220 CA VAL A 81 -7.558 0.230 8.692 1.00 0.00 C ATOM 1221 C VAL A 81 -8.523 0.954 9.638 1.00 0.00 C ATOM 1222 O VAL A 81 -9.724 0.828 9.522 1.00 0.00 O ATOM 1223 CB VAL A 81 -6.807 -0.860 9.465 1.00 0.00 C ATOM 1224 CG1 VAL A 81 -7.788 -1.955 9.889 1.00 0.00 C ATOM 1225 CG2 VAL A 81 -5.727 -1.469 8.569 1.00 0.00 C ATOM 0 H VAL A 81 -5.616 0.858 8.073 1.00 0.00 H new ATOM 0 HA VAL A 81 -8.125 -0.222 7.878 1.00 0.00 H new ATOM 0 HB VAL A 81 -6.345 -0.422 10.349 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -7.253 -2.730 10.439 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -8.560 -1.525 10.527 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -8.251 -2.392 9.004 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.193 -2.244 9.119 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.191 -1.906 7.685 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -5.026 -0.692 8.264 1.00 0.00 H new ATOM 1235 N LYS A 82 -8.012 1.712 10.567 1.00 0.00 N ATOM 1236 CA LYS A 82 -8.909 2.444 11.510 1.00 0.00 C ATOM 1237 C LYS A 82 -10.019 3.151 10.715 1.00 0.00 C ATOM 1238 O LYS A 82 -11.079 3.424 11.242 1.00 0.00 O ATOM 1239 CB LYS A 82 -8.070 3.450 12.319 1.00 0.00 C ATOM 1240 CG LYS A 82 -7.604 2.827 13.646 1.00 0.00 C ATOM 1241 CD LYS A 82 -6.582 1.721 13.369 1.00 0.00 C ATOM 1242 CE LYS A 82 -6.094 1.136 14.696 1.00 0.00 C ATOM 1243 NZ LYS A 82 -5.397 2.195 15.478 1.00 0.00 N ATOM 0 H LYS A 82 -7.013 1.858 10.716 1.00 0.00 H new ATOM 0 HA LYS A 82 -9.381 1.749 12.205 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -7.205 3.762 11.735 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -8.659 4.345 12.519 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -7.161 3.593 14.282 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -8.458 2.419 14.186 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -7.033 0.939 12.758 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -5.740 2.122 12.804 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -6.937 0.744 15.265 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -5.418 0.301 14.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -4.797 1.753 16.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -4.805 2.765 14.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -6.101 2.808 15.937 1.00 0.00 H new ATOM 1257 N GLN A 83 -9.815 3.415 9.453 1.00 0.00 N ATOM 1258 CA GLN A 83 -10.906 4.059 8.666 1.00 0.00 C ATOM 1259 C GLN A 83 -12.097 3.106 8.674 1.00 0.00 C ATOM 1260 O GLN A 83 -13.214 3.457 8.353 1.00 0.00 O ATOM 1261 CB GLN A 83 -10.439 4.300 7.228 1.00 0.00 C ATOM 1262 CG GLN A 83 -11.510 5.084 6.466 1.00 0.00 C ATOM 1263 CD GLN A 83 -10.999 5.414 5.063 1.00 0.00 C ATOM 1264 OE1 GLN A 83 -9.810 5.546 4.854 1.00 0.00 O ATOM 1265 NE2 GLN A 83 -11.852 5.550 4.085 1.00 0.00 N ATOM 0 H GLN A 83 -8.956 3.217 8.940 1.00 0.00 H new ATOM 0 HA GLN A 83 -11.179 5.021 9.101 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -9.500 4.853 7.228 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -10.249 3.348 6.732 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -12.428 4.499 6.402 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -11.754 6.002 7.001 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -12.851 5.439 4.260 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -11.520 5.767 3.145 1.00 0.00 H new ATOM 1274 N TYR A 84 -11.833 1.894 9.060 1.00 0.00 N ATOM 1275 CA TYR A 84 -12.900 0.857 9.130 1.00 0.00 C ATOM 1276 C TYR A 84 -14.047 1.389 9.985 1.00 0.00 C ATOM 1277 O TYR A 84 -14.108 1.156 11.175 1.00 0.00 O ATOM 1278 CB TYR A 84 -12.338 -0.418 9.764 1.00 0.00 C ATOM 1279 CG TYR A 84 -13.441 -1.441 9.901 1.00 0.00 C ATOM 1280 CD1 TYR A 84 -13.826 -2.207 8.795 1.00 0.00 C ATOM 1281 CD2 TYR A 84 -14.079 -1.624 11.134 1.00 0.00 C ATOM 1282 CE1 TYR A 84 -14.848 -3.154 8.920 1.00 0.00 C ATOM 1283 CE2 TYR A 84 -15.101 -2.572 11.261 1.00 0.00 C ATOM 1284 CZ TYR A 84 -15.486 -3.337 10.154 1.00 0.00 C ATOM 1285 OH TYR A 84 -16.493 -4.272 10.276 1.00 0.00 O ATOM 0 H TYR A 84 -10.906 1.569 9.336 1.00 0.00 H new ATOM 0 HA TYR A 84 -13.259 0.628 8.127 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -11.531 -0.817 9.149 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -11.912 -0.193 10.742 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -13.334 -2.067 7.844 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -13.782 -1.033 11.988 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -15.145 -3.744 8.066 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -15.592 -2.713 12.212 1.00 0.00 H new ATOM 0 HH TYR A 84 -16.519 -4.832 9.472 1.00 0.00 H new ATOM 1295 N SER A 85 -14.947 2.119 9.388 1.00 0.00 N ATOM 1296 CA SER A 85 -16.085 2.687 10.163 1.00 0.00 C ATOM 1297 C SER A 85 -15.540 3.701 11.173 1.00 0.00 C ATOM 1298 O SER A 85 -16.061 3.857 12.259 1.00 0.00 O ATOM 1299 CB SER A 85 -16.830 1.561 10.895 1.00 0.00 C ATOM 1300 OG SER A 85 -18.175 1.964 11.122 1.00 0.00 O ATOM 0 H SER A 85 -14.944 2.347 8.394 1.00 0.00 H new ATOM 0 HA SER A 85 -16.782 3.183 9.487 1.00 0.00 H new ATOM 0 HB2 SER A 85 -16.806 0.647 10.302 1.00 0.00 H new ATOM 0 HB3 SER A 85 -16.339 1.339 11.842 1.00 0.00 H new ATOM 0 HG SER A 85 -18.657 1.249 11.588 1.00 0.00 H new ATOM 1306 N GLY A 86 -14.486 4.388 10.817 1.00 0.00 N ATOM 1307 CA GLY A 86 -13.892 5.390 11.747 1.00 0.00 C ATOM 1308 C GLY A 86 -12.885 4.698 12.667 1.00 0.00 C ATOM 1309 O GLY A 86 -12.872 3.490 12.792 1.00 0.00 O ATOM 0 H GLY A 86 -14.011 4.297 9.919 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -13.400 6.181 11.181 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -14.676 5.863 12.339 1.00 0.00 H new ATOM 1313 N LYS A 87 -12.046 5.455 13.317 1.00 0.00 N ATOM 1314 CA LYS A 87 -11.045 4.844 14.235 1.00 0.00 C ATOM 1315 C LYS A 87 -11.753 4.426 15.526 1.00 0.00 C ATOM 1316 O LYS A 87 -11.180 4.444 16.598 1.00 0.00 O ATOM 1317 CB LYS A 87 -9.917 5.854 14.559 1.00 0.00 C ATOM 1318 CG LYS A 87 -9.627 6.774 13.348 1.00 0.00 C ATOM 1319 CD LYS A 87 -8.140 7.165 13.325 1.00 0.00 C ATOM 1320 CE LYS A 87 -7.756 7.827 14.652 1.00 0.00 C ATOM 1321 NZ LYS A 87 -8.850 8.740 15.090 1.00 0.00 N ATOM 0 H LYS A 87 -12.010 6.472 13.252 1.00 0.00 H new ATOM 0 HA LYS A 87 -10.597 3.974 13.754 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -10.203 6.459 15.419 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -9.011 5.315 14.835 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -9.891 6.263 12.422 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -10.246 7.670 13.406 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -7.525 6.281 13.158 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -7.947 7.848 12.498 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -7.578 7.066 15.412 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -6.827 8.385 14.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -8.451 9.508 15.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -9.321 9.143 14.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -9.542 8.207 15.654 1.00 0.00 H new ATOM 1335 N PHE A 88 -12.995 4.051 15.421 1.00 0.00 N ATOM 1336 CA PHE A 88 -13.764 3.630 16.627 1.00 0.00 C ATOM 1337 C PHE A 88 -15.001 2.843 16.185 1.00 0.00 C ATOM 1338 O PHE A 88 -16.043 3.409 15.923 1.00 0.00 O ATOM 1339 CB PHE A 88 -14.213 4.870 17.408 1.00 0.00 C ATOM 1340 CG PHE A 88 -13.030 5.481 18.122 1.00 0.00 C ATOM 1341 CD1 PHE A 88 -12.601 4.952 19.344 1.00 0.00 C ATOM 1342 CD2 PHE A 88 -12.364 6.577 17.561 1.00 0.00 C ATOM 1343 CE1 PHE A 88 -11.505 5.518 20.007 1.00 0.00 C ATOM 1344 CE2 PHE A 88 -11.269 7.144 18.223 1.00 0.00 C ATOM 1345 CZ PHE A 88 -10.839 6.615 19.446 1.00 0.00 C ATOM 0 H PHE A 88 -13.516 4.017 14.545 1.00 0.00 H new ATOM 0 HA PHE A 88 -13.133 3.007 17.261 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -14.655 5.599 16.729 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -14.984 4.598 18.129 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -13.115 4.107 19.776 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -12.695 6.985 16.617 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -11.174 5.109 20.950 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -10.756 7.990 17.790 1.00 0.00 H new ATOM 0 HZ PHE A 88 -9.994 7.053 19.957 1.00 0.00 H new ATOM 1355 N PHE A 89 -14.898 1.546 16.099 1.00 0.00 N ATOM 1356 CA PHE A 89 -16.073 0.737 15.670 1.00 0.00 C ATOM 1357 C PHE A 89 -17.228 0.961 16.649 1.00 0.00 C ATOM 1358 O PHE A 89 -16.960 1.087 17.832 1.00 0.00 O ATOM 1359 CB PHE A 89 -15.698 -0.746 15.659 1.00 0.00 C ATOM 1360 CG PHE A 89 -16.898 -1.563 15.239 1.00 0.00 C ATOM 1361 CD1 PHE A 89 -17.323 -1.544 13.905 1.00 0.00 C ATOM 1362 CD2 PHE A 89 -17.586 -2.340 16.181 1.00 0.00 C ATOM 1363 CE1 PHE A 89 -18.434 -2.299 13.513 1.00 0.00 C ATOM 1364 CE2 PHE A 89 -18.697 -3.095 15.788 1.00 0.00 C ATOM 1365 CZ PHE A 89 -19.121 -3.075 14.454 1.00 0.00 C ATOM 1366 OXT PHE A 89 -18.361 1.001 16.197 1.00 0.00 O ATOM 0 H PHE A 89 -14.054 1.012 16.306 1.00 0.00 H new ATOM 0 HA PHE A 89 -16.377 1.042 14.669 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -14.869 -0.918 14.973 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -15.362 -1.055 16.649 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -16.793 -0.946 13.178 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -17.259 -2.356 17.210 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -18.762 -2.283 12.484 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -19.227 -3.693 16.514 1.00 0.00 H new ATOM 0 HZ PHE A 89 -19.978 -3.658 14.151 1.00 0.00 H new TER 1376 PHE A 89