USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 704 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 27 GLN : amide:sc= -0.109 X(o=-0.11,f=-0.0072) USER MOD Set 1.2: A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 ASN : amide:sc= -0.958 K(o=-0.96,f=-0.2) USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=-0.00051) USER MOD Single : A 13 ASN : amide:sc= -0.71 K(o=-0.71,f=0) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 GLN : amide:sc= -0.355 K(o=-0.36,f=-3.2!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= -1.09 K(o=-1.1,f=-5.8!) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 29 TYR OH : rot 180:sc= -1.35 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= -1.42! USER MOD Single : A 35 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.019) USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.245 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -1.27 X(o=-1.3,f=-1.7) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 103:sc= 1.17 USER MOD Single : A 48 MET CE :methyl 174:sc= -1.29 (180deg=-1.36) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 HIS : no HD1:sc= -1.49 K(o=-1.5,f=-0.35) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 81:sc= 0.124 USER MOD Single : A 82 LYS NZ :NH3+ 158:sc=-0.00024 (180deg=-0.377) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.607 X(o=-0.61,f=-0.52!) USER MOD Single : A 87 GLN : amide:sc= -0.0706 K(o=-0.071,f=-0.91) USER MOD Single : A 88 GLN : amide:sc= -0.108 K(o=-0.11,f=-2!) USER MOD Single : A 89 THR OG1 : rot -142:sc= 0.451 USER MOD Single : A 91 GLN : amide:sc= -0.361 X(o=-0.36,f=-0.098) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -32.865 -11.318 -19.973 1.00 0.00 N ATOM 2 CA GLY A 1 -32.145 -10.527 -21.010 1.00 0.00 C ATOM 3 C GLY A 1 -31.166 -9.534 -20.408 1.00 0.00 C ATOM 4 O GLY A 1 -31.478 -8.884 -19.411 1.00 0.00 O ATOM 0 H1 GLY A 1 -33.520 -11.980 -20.435 1.00 0.00 H new ATOM 0 H2 GLY A 1 -32.177 -11.852 -19.404 1.00 0.00 H new ATOM 0 H3 GLY A 1 -33.401 -10.675 -19.356 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -31.608 -11.206 -21.672 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -32.870 -9.991 -21.623 1.00 0.00 H new ATOM 10 N PRO A 2 -29.964 -9.390 -20.996 1.00 0.00 N ATOM 11 CA PRO A 2 -28.948 -8.457 -20.496 1.00 0.00 C ATOM 12 C PRO A 2 -29.436 -7.014 -20.497 1.00 0.00 C ATOM 13 O PRO A 2 -29.599 -6.403 -21.553 1.00 0.00 O ATOM 14 CB PRO A 2 -27.779 -8.626 -21.476 1.00 0.00 C ATOM 15 CG PRO A 2 -28.373 -9.261 -22.687 1.00 0.00 C ATOM 16 CD PRO A 2 -29.501 -10.117 -22.190 1.00 0.00 C ATOM 0 HA PRO A 2 -28.683 -8.670 -19.460 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -27.326 -7.665 -21.718 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -26.994 -9.250 -21.049 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -28.734 -8.507 -23.387 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -27.632 -9.860 -23.217 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -30.291 -10.216 -22.934 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -29.166 -11.125 -21.945 1.00 0.00 H new ATOM 24 N LEU A 3 -29.668 -6.472 -19.306 1.00 0.00 N ATOM 25 CA LEU A 3 -30.136 -5.098 -19.174 1.00 0.00 C ATOM 26 C LEU A 3 -28.973 -4.118 -19.278 1.00 0.00 C ATOM 27 O LEU A 3 -28.102 -4.078 -18.409 1.00 0.00 O ATOM 28 CB LEU A 3 -30.865 -4.908 -17.841 1.00 0.00 C ATOM 29 CG LEU A 3 -30.140 -5.468 -16.615 1.00 0.00 C ATOM 30 CD1 LEU A 3 -30.304 -4.533 -15.426 1.00 0.00 C ATOM 31 CD2 LEU A 3 -30.662 -6.856 -16.276 1.00 0.00 C ATOM 0 H LEU A 3 -29.540 -6.962 -18.421 1.00 0.00 H new ATOM 0 HA LEU A 3 -30.832 -4.897 -19.989 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -31.035 -3.842 -17.687 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -31.845 -5.380 -17.911 1.00 0.00 H new ATOM 0 HG LEU A 3 -29.078 -5.546 -16.848 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -29.782 -4.947 -14.563 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -29.884 -3.557 -15.670 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -31.363 -4.424 -15.192 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -30.136 -7.239 -15.402 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -31.729 -6.801 -16.062 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -30.496 -7.524 -17.121 1.00 0.00 H new ATOM 43 N GLY A 4 -28.968 -3.328 -20.347 1.00 0.00 N ATOM 44 CA GLY A 4 -27.909 -2.357 -20.547 1.00 0.00 C ATOM 45 C GLY A 4 -28.231 -1.008 -19.931 1.00 0.00 C ATOM 46 O GLY A 4 -27.782 0.028 -20.421 1.00 0.00 O ATOM 0 H GLY A 4 -29.679 -3.343 -21.078 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -26.984 -2.739 -20.114 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -27.733 -2.232 -21.615 1.00 0.00 H new ATOM 50 N SER A 5 -29.010 -1.022 -18.855 1.00 0.00 N ATOM 51 CA SER A 5 -29.389 0.206 -18.170 1.00 0.00 C ATOM 52 C SER A 5 -28.353 0.567 -17.108 1.00 0.00 C ATOM 53 O SER A 5 -27.911 -0.293 -16.346 1.00 0.00 O ATOM 54 CB SER A 5 -30.767 0.046 -17.525 1.00 0.00 C ATOM 55 OG SER A 5 -31.135 1.213 -16.810 1.00 0.00 O ATOM 0 H SER A 5 -29.391 -1.872 -18.439 1.00 0.00 H new ATOM 0 HA SER A 5 -29.432 1.012 -18.903 1.00 0.00 H new ATOM 0 HB2 SER A 5 -31.510 -0.162 -18.295 1.00 0.00 H new ATOM 0 HB3 SER A 5 -30.759 -0.810 -16.850 1.00 0.00 H new ATOM 0 HG SER A 5 -32.020 1.085 -16.409 1.00 0.00 H new ATOM 61 N PRO A 6 -27.948 1.847 -17.040 1.00 0.00 N ATOM 62 CA PRO A 6 -26.958 2.303 -16.061 1.00 0.00 C ATOM 63 C PRO A 6 -27.477 2.205 -14.633 1.00 0.00 C ATOM 64 O PRO A 6 -28.597 2.620 -14.337 1.00 0.00 O ATOM 65 CB PRO A 6 -26.710 3.764 -16.449 1.00 0.00 C ATOM 66 CG PRO A 6 -27.934 4.177 -17.191 1.00 0.00 C ATOM 67 CD PRO A 6 -28.420 2.945 -17.904 1.00 0.00 C ATOM 0 HA PRO A 6 -26.055 1.692 -16.078 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -26.554 4.386 -15.567 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -25.820 3.862 -17.070 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -28.694 4.559 -16.509 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -27.711 4.975 -17.899 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -29.505 2.940 -18.005 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -28.006 2.872 -18.910 1.00 0.00 H new ATOM 75 N ARG A 7 -26.656 1.648 -13.750 1.00 0.00 N ATOM 76 CA ARG A 7 -27.032 1.489 -12.351 1.00 0.00 C ATOM 77 C ARG A 7 -26.564 2.680 -11.524 1.00 0.00 C ATOM 78 O ARG A 7 -25.697 3.443 -11.951 1.00 0.00 O ATOM 79 CB ARG A 7 -26.446 0.193 -11.787 1.00 0.00 C ATOM 80 CG ARG A 7 -24.957 0.026 -12.055 1.00 0.00 C ATOM 81 CD ARG A 7 -24.701 -0.882 -13.250 1.00 0.00 C ATOM 82 NE ARG A 7 -23.358 -1.457 -13.222 1.00 0.00 N ATOM 83 CZ ARG A 7 -22.993 -2.453 -12.419 1.00 0.00 C ATOM 84 NH1 ARG A 7 -23.863 -2.981 -11.568 1.00 0.00 N ATOM 85 NH2 ARG A 7 -21.754 -2.921 -12.465 1.00 0.00 N ATOM 0 H ARG A 7 -25.725 1.299 -13.979 1.00 0.00 H new ATOM 0 HA ARG A 7 -28.119 1.439 -12.295 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -26.618 0.165 -10.711 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -26.981 -0.654 -12.217 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -24.508 1.002 -12.236 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -24.472 -0.389 -11.171 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -25.439 -1.684 -13.261 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -24.834 -0.315 -14.171 1.00 0.00 H new ATOM 0 HE ARG A 7 -22.658 -1.072 -13.856 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -24.817 -2.624 -11.527 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -23.578 -3.744 -10.955 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -21.080 -2.518 -13.116 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -21.474 -3.685 -11.849 1.00 0.00 H new ATOM 99 N ASN A 8 -27.145 2.835 -10.341 1.00 0.00 N ATOM 100 CA ASN A 8 -26.791 3.936 -9.454 1.00 0.00 C ATOM 101 C ASN A 8 -25.697 3.520 -8.479 1.00 0.00 C ATOM 102 O ASN A 8 -25.232 2.379 -8.498 1.00 0.00 O ATOM 103 CB ASN A 8 -28.021 4.413 -8.681 1.00 0.00 C ATOM 104 CG ASN A 8 -28.808 5.463 -9.439 1.00 0.00 C ATOM 105 OD1 ASN A 8 -28.464 6.645 -9.423 1.00 0.00 O ATOM 106 ND2 ASN A 8 -29.873 5.037 -10.107 1.00 0.00 N ATOM 0 H ASN A 8 -27.864 2.212 -9.973 1.00 0.00 H new ATOM 0 HA ASN A 8 -26.415 4.755 -10.068 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -28.667 3.561 -8.470 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -27.707 4.821 -7.720 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -30.443 5.699 -10.634 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -30.122 4.048 -10.093 1.00 0.00 H new ATOM 113 N ALA A 9 -25.290 4.453 -7.626 1.00 0.00 N ATOM 114 CA ALA A 9 -24.252 4.188 -6.639 1.00 0.00 C ATOM 115 C ALA A 9 -24.784 3.323 -5.503 1.00 0.00 C ATOM 116 O ALA A 9 -25.499 3.804 -4.625 1.00 0.00 O ATOM 117 CB ALA A 9 -23.698 5.496 -6.095 1.00 0.00 C ATOM 0 H ALA A 9 -25.664 5.401 -7.599 1.00 0.00 H new ATOM 0 HA ALA A 9 -23.447 3.641 -7.130 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -22.923 5.284 -5.358 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -23.273 6.079 -6.912 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -24.501 6.063 -5.624 1.00 0.00 H new ATOM 123 N ASN A 10 -24.429 2.043 -5.526 1.00 0.00 N ATOM 124 CA ASN A 10 -24.869 1.110 -4.495 1.00 0.00 C ATOM 125 C ASN A 10 -23.743 0.828 -3.507 1.00 0.00 C ATOM 126 O ASN A 10 -22.571 1.058 -3.804 1.00 0.00 O ATOM 127 CB ASN A 10 -25.355 -0.203 -5.121 1.00 0.00 C ATOM 128 CG ASN A 10 -24.529 -0.631 -6.322 1.00 0.00 C ATOM 129 OD1 ASN A 10 -25.025 -0.666 -7.448 1.00 0.00 O ATOM 130 ND2 ASN A 10 -23.264 -0.959 -6.088 1.00 0.00 N ATOM 0 H ASN A 10 -23.838 1.628 -6.247 1.00 0.00 H new ATOM 0 HA ASN A 10 -25.699 1.571 -3.959 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -25.326 -0.991 -4.368 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -26.396 -0.091 -5.425 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -22.663 -1.254 -6.857 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -22.893 -0.916 -5.139 1.00 0.00 H new ATOM 137 N ASP A 11 -24.105 0.320 -2.332 1.00 0.00 N ATOM 138 CA ASP A 11 -23.120 -0.001 -1.306 1.00 0.00 C ATOM 139 C ASP A 11 -22.616 -1.434 -1.465 1.00 0.00 C ATOM 140 O ASP A 11 -22.164 -2.056 -0.504 1.00 0.00 O ATOM 141 CB ASP A 11 -23.717 0.199 0.091 1.00 0.00 C ATOM 142 CG ASP A 11 -24.993 -0.594 0.297 1.00 0.00 C ATOM 143 OD1 ASP A 11 -25.598 -1.020 -0.708 1.00 0.00 O ATOM 144 OD2 ASP A 11 -25.387 -0.786 1.468 1.00 0.00 O ATOM 0 H ASP A 11 -25.070 0.123 -2.068 1.00 0.00 H new ATOM 0 HA ASP A 11 -22.274 0.675 -1.426 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -22.984 -0.097 0.841 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -23.922 1.258 0.246 1.00 0.00 H new ATOM 149 N ASN A 12 -22.694 -1.948 -2.691 1.00 0.00 N ATOM 150 CA ASN A 12 -22.245 -3.300 -2.994 1.00 0.00 C ATOM 151 C ASN A 12 -20.826 -3.281 -3.551 1.00 0.00 C ATOM 152 O ASN A 12 -20.614 -2.970 -4.724 1.00 0.00 O ATOM 153 CB ASN A 12 -23.188 -3.956 -4.007 1.00 0.00 C ATOM 154 CG ASN A 12 -24.141 -4.942 -3.361 1.00 0.00 C ATOM 155 OD1 ASN A 12 -23.723 -5.972 -2.833 1.00 0.00 O ATOM 156 ND2 ASN A 12 -25.431 -4.629 -3.403 1.00 0.00 N ATOM 0 H ASN A 12 -23.067 -1.442 -3.494 1.00 0.00 H new ATOM 0 HA ASN A 12 -22.253 -3.878 -2.070 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -23.762 -3.183 -4.518 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -22.599 -4.470 -4.767 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -26.121 -5.254 -2.987 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -25.731 -3.764 -3.852 1.00 0.00 H new ATOM 163 N ASN A 13 -19.858 -3.610 -2.705 1.00 0.00 N ATOM 164 CA ASN A 13 -18.459 -3.625 -3.118 1.00 0.00 C ATOM 165 C ASN A 13 -18.132 -4.904 -3.878 1.00 0.00 C ATOM 166 O ASN A 13 -18.611 -5.984 -3.531 1.00 0.00 O ATOM 167 CB ASN A 13 -17.547 -3.490 -1.898 1.00 0.00 C ATOM 168 CG ASN A 13 -17.390 -2.050 -1.445 1.00 0.00 C ATOM 169 OD1 ASN A 13 -16.274 -1.564 -1.261 1.00 0.00 O ATOM 170 ND2 ASN A 13 -18.510 -1.360 -1.260 1.00 0.00 N ATOM 0 H ASN A 13 -20.014 -3.870 -1.731 1.00 0.00 H new ATOM 0 HA ASN A 13 -18.290 -2.778 -3.783 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -17.952 -4.083 -1.078 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -16.566 -3.902 -2.135 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -18.466 -0.388 -0.954 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -19.414 -1.802 -1.424 1.00 0.00 H new ATOM 177 N GLN A 14 -17.317 -4.776 -4.919 1.00 0.00 N ATOM 178 CA GLN A 14 -16.933 -5.924 -5.730 1.00 0.00 C ATOM 179 C GLN A 14 -15.756 -6.670 -5.109 1.00 0.00 C ATOM 180 O GLN A 14 -14.606 -6.476 -5.501 1.00 0.00 O ATOM 181 CB GLN A 14 -16.584 -5.480 -7.153 1.00 0.00 C ATOM 182 CG GLN A 14 -17.412 -6.174 -8.220 1.00 0.00 C ATOM 183 CD GLN A 14 -18.813 -5.605 -8.332 1.00 0.00 C ATOM 184 OE1 GLN A 14 -19.739 -6.071 -7.669 1.00 0.00 O ATOM 185 NE2 GLN A 14 -18.976 -4.591 -9.175 1.00 0.00 N ATOM 0 H GLN A 14 -16.910 -3.890 -5.220 1.00 0.00 H new ATOM 0 HA GLN A 14 -17.783 -6.605 -5.769 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -16.728 -4.403 -7.235 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -15.528 -5.676 -7.338 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -16.908 -6.082 -9.182 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -17.473 -7.238 -7.992 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -18.180 -4.236 -9.705 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -19.897 -4.168 -9.292 1.00 0.00 H new ATOM 194 N PHE A 15 -16.056 -7.531 -4.142 1.00 0.00 N ATOM 195 CA PHE A 15 -15.027 -8.317 -3.473 1.00 0.00 C ATOM 196 C PHE A 15 -14.749 -9.612 -4.234 1.00 0.00 C ATOM 197 O PHE A 15 -13.865 -10.383 -3.860 1.00 0.00 O ATOM 198 CB PHE A 15 -15.452 -8.641 -2.039 1.00 0.00 C ATOM 199 CG PHE A 15 -15.132 -7.554 -1.053 1.00 0.00 C ATOM 200 CD1 PHE A 15 -15.824 -6.353 -1.073 1.00 0.00 C ATOM 201 CD2 PHE A 15 -14.138 -7.734 -0.105 1.00 0.00 C ATOM 202 CE1 PHE A 15 -15.531 -5.354 -0.164 1.00 0.00 C ATOM 203 CE2 PHE A 15 -13.841 -6.737 0.806 1.00 0.00 C ATOM 204 CZ PHE A 15 -14.538 -5.546 0.776 1.00 0.00 C ATOM 0 H PHE A 15 -17.003 -7.702 -3.805 1.00 0.00 H new ATOM 0 HA PHE A 15 -14.113 -7.724 -3.450 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -16.525 -8.830 -2.022 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -14.961 -9.561 -1.723 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -16.601 -6.196 -1.807 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -13.589 -8.664 -0.077 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -16.079 -4.423 -0.189 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -13.064 -6.890 1.541 1.00 0.00 H new ATOM 0 HZ PHE A 15 -14.307 -4.766 1.486 1.00 0.00 H new ATOM 214 N TYR A 16 -15.511 -9.850 -5.299 1.00 0.00 N ATOM 215 CA TYR A 16 -15.343 -11.052 -6.105 1.00 0.00 C ATOM 216 C TYR A 16 -14.079 -10.965 -6.953 1.00 0.00 C ATOM 217 O TYR A 16 -13.114 -11.694 -6.723 1.00 0.00 O ATOM 218 CB TYR A 16 -16.566 -11.266 -6.999 1.00 0.00 C ATOM 219 CG TYR A 16 -16.689 -12.679 -7.521 1.00 0.00 C ATOM 220 CD1 TYR A 16 -15.822 -13.153 -8.496 1.00 0.00 C ATOM 221 CD2 TYR A 16 -17.669 -13.536 -7.038 1.00 0.00 C ATOM 222 CE1 TYR A 16 -15.928 -14.443 -8.977 1.00 0.00 C ATOM 223 CE2 TYR A 16 -17.782 -14.828 -7.514 1.00 0.00 C ATOM 224 CZ TYR A 16 -16.908 -15.277 -8.483 1.00 0.00 C ATOM 225 OH TYR A 16 -17.017 -16.561 -8.960 1.00 0.00 O ATOM 0 H TYR A 16 -16.250 -9.225 -5.622 1.00 0.00 H new ATOM 0 HA TYR A 16 -15.245 -11.903 -5.431 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -17.466 -11.015 -6.437 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -16.515 -10.578 -7.843 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -15.052 -12.503 -8.885 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -18.353 -13.187 -6.279 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -15.246 -14.797 -9.736 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -18.550 -15.483 -7.130 1.00 0.00 H new ATOM 0 HH TYR A 16 -17.757 -17.016 -8.507 1.00 0.00 H new ATOM 235 N GLN A 17 -14.089 -10.066 -7.933 1.00 0.00 N ATOM 236 CA GLN A 17 -12.941 -9.883 -8.810 1.00 0.00 C ATOM 237 C GLN A 17 -11.762 -9.304 -8.036 1.00 0.00 C ATOM 238 O GLN A 17 -11.620 -8.087 -7.927 1.00 0.00 O ATOM 239 CB GLN A 17 -13.301 -8.959 -9.976 1.00 0.00 C ATOM 240 CG GLN A 17 -13.636 -9.698 -11.261 1.00 0.00 C ATOM 241 CD GLN A 17 -14.816 -9.088 -11.992 1.00 0.00 C ATOM 242 OE1 GLN A 17 -14.776 -7.927 -12.400 1.00 0.00 O ATOM 243 NE2 GLN A 17 -15.874 -9.871 -12.163 1.00 0.00 N ATOM 0 H GLN A 17 -14.879 -9.454 -8.138 1.00 0.00 H new ATOM 0 HA GLN A 17 -12.657 -10.858 -9.206 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -14.153 -8.342 -9.689 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -12.467 -8.283 -10.163 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -12.765 -9.693 -11.916 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -13.855 -10.740 -11.030 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -15.863 -10.827 -11.808 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -16.698 -9.516 -12.649 1.00 0.00 H new ATOM 252 N GLN A 18 -10.919 -10.177 -7.501 1.00 0.00 N ATOM 253 CA GLN A 18 -9.755 -9.739 -6.741 1.00 0.00 C ATOM 254 C GLN A 18 -8.627 -9.291 -7.669 1.00 0.00 C ATOM 255 O GLN A 18 -7.645 -8.697 -7.222 1.00 0.00 O ATOM 256 CB GLN A 18 -9.262 -10.861 -5.827 1.00 0.00 C ATOM 257 CG GLN A 18 -8.664 -10.360 -4.522 1.00 0.00 C ATOM 258 CD GLN A 18 -9.709 -10.168 -3.440 1.00 0.00 C ATOM 259 OE1 GLN A 18 -10.693 -9.455 -3.631 1.00 0.00 O ATOM 260 NE2 GLN A 18 -9.496 -10.805 -2.295 1.00 0.00 N ATOM 0 H GLN A 18 -11.018 -11.189 -7.578 1.00 0.00 H new ATOM 0 HA GLN A 18 -10.056 -8.887 -6.131 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -10.094 -11.529 -5.604 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -8.514 -11.450 -6.358 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -7.912 -11.069 -4.175 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -8.152 -9.414 -4.700 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -8.665 -11.386 -2.181 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -10.163 -10.713 -1.529 1.00 0.00 H new ATOM 269 N LYS A 19 -8.770 -9.581 -8.961 1.00 0.00 N ATOM 270 CA LYS A 19 -7.758 -9.210 -9.940 1.00 0.00 C ATOM 271 C LYS A 19 -7.762 -7.712 -10.198 1.00 0.00 C ATOM 272 O LYS A 19 -6.714 -7.105 -10.413 1.00 0.00 O ATOM 273 CB LYS A 19 -7.980 -9.965 -11.250 1.00 0.00 C ATOM 274 CG LYS A 19 -6.759 -9.982 -12.153 1.00 0.00 C ATOM 275 CD LYS A 19 -7.046 -9.328 -13.496 1.00 0.00 C ATOM 276 CE LYS A 19 -6.209 -9.944 -14.605 1.00 0.00 C ATOM 277 NZ LYS A 19 -5.706 -8.919 -15.560 1.00 0.00 N ATOM 0 H LYS A 19 -9.576 -10.071 -9.350 1.00 0.00 H new ATOM 0 HA LYS A 19 -6.785 -9.483 -9.531 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -8.270 -10.991 -11.024 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -8.813 -9.510 -11.786 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -5.936 -9.462 -11.663 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -6.437 -11.011 -12.310 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -8.104 -9.435 -13.735 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.839 -8.260 -13.433 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.365 -10.477 -14.168 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.806 -10.679 -15.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.140 -9.382 -16.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.511 -8.427 -15.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -5.114 -8.231 -15.051 1.00 0.00 H new ATOM 291 N GLN A 20 -8.947 -7.121 -10.168 1.00 0.00 N ATOM 292 CA GLN A 20 -9.086 -5.688 -10.392 1.00 0.00 C ATOM 293 C GLN A 20 -8.655 -4.914 -9.152 1.00 0.00 C ATOM 294 O GLN A 20 -7.947 -3.912 -9.248 1.00 0.00 O ATOM 295 CB GLN A 20 -10.529 -5.334 -10.774 1.00 0.00 C ATOM 296 CG GLN A 20 -11.557 -5.630 -9.694 1.00 0.00 C ATOM 297 CD GLN A 20 -12.089 -4.372 -9.031 1.00 0.00 C ATOM 298 OE1 GLN A 20 -11.750 -4.069 -7.888 1.00 0.00 O ATOM 299 NE2 GLN A 20 -12.929 -3.633 -9.750 1.00 0.00 N ATOM 0 H GLN A 20 -9.825 -7.609 -9.991 1.00 0.00 H new ATOM 0 HA GLN A 20 -8.437 -5.405 -11.221 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -10.576 -4.274 -11.022 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -10.799 -5.885 -11.675 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -12.387 -6.185 -10.131 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -11.108 -6.273 -8.937 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -13.183 -3.923 -10.695 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -13.320 -2.777 -9.357 1.00 0.00 H new ATOM 308 N ARG A 21 -9.073 -5.402 -7.990 1.00 0.00 N ATOM 309 CA ARG A 21 -8.725 -4.775 -6.718 1.00 0.00 C ATOM 310 C ARG A 21 -7.214 -4.721 -6.536 1.00 0.00 C ATOM 311 O ARG A 21 -6.628 -3.645 -6.420 1.00 0.00 O ATOM 312 CB ARG A 21 -9.355 -5.544 -5.559 1.00 0.00 C ATOM 313 CG ARG A 21 -10.771 -5.093 -5.234 1.00 0.00 C ATOM 314 CD ARG A 21 -11.316 -5.773 -3.986 1.00 0.00 C ATOM 315 NE ARG A 21 -10.319 -5.870 -2.921 1.00 0.00 N ATOM 316 CZ ARG A 21 -10.412 -6.712 -1.894 1.00 0.00 C ATOM 317 NH1 ARG A 21 -11.451 -7.530 -1.791 1.00 0.00 N ATOM 318 NH2 ARG A 21 -9.462 -6.739 -0.969 1.00 0.00 N ATOM 0 H ARG A 21 -9.656 -6.234 -7.901 1.00 0.00 H new ATOM 0 HA ARG A 21 -9.112 -3.756 -6.726 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -9.367 -6.607 -5.801 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -8.732 -5.426 -4.673 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -10.783 -4.012 -5.092 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -11.424 -5.311 -6.079 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -12.180 -5.217 -3.621 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -11.666 -6.773 -4.244 1.00 0.00 H new ATOM 0 HE ARG A 21 -9.505 -5.257 -2.968 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -12.184 -7.516 -2.501 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -11.517 -8.173 -1.002 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -8.659 -6.114 -1.044 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -9.534 -7.384 -0.183 1.00 0.00 H new ATOM 332 N GLN A 22 -6.592 -5.894 -6.508 1.00 0.00 N ATOM 333 CA GLN A 22 -5.148 -5.992 -6.337 1.00 0.00 C ATOM 334 C GLN A 22 -4.407 -5.394 -7.529 1.00 0.00 C ATOM 335 O GLN A 22 -3.226 -5.068 -7.432 1.00 0.00 O ATOM 336 CB GLN A 22 -4.736 -7.453 -6.148 1.00 0.00 C ATOM 337 CG GLN A 22 -4.510 -7.834 -4.696 1.00 0.00 C ATOM 338 CD GLN A 22 -3.047 -8.068 -4.374 1.00 0.00 C ATOM 339 OE1 GLN A 22 -2.325 -7.142 -4.003 1.00 0.00 O ATOM 340 NE2 GLN A 22 -2.601 -9.311 -4.517 1.00 0.00 N ATOM 0 H GLN A 22 -7.067 -6.792 -6.602 1.00 0.00 H new ATOM 0 HA GLN A 22 -4.877 -5.423 -5.448 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -5.508 -8.097 -6.569 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -3.822 -7.641 -6.711 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -4.898 -7.044 -4.053 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -5.077 -8.737 -4.469 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -3.235 -10.048 -4.827 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -1.625 -9.529 -4.317 1.00 0.00 H new ATOM 349 N ALA A 23 -5.105 -5.248 -8.653 1.00 0.00 N ATOM 350 CA ALA A 23 -4.499 -4.684 -9.855 1.00 0.00 C ATOM 351 C ALA A 23 -3.971 -3.282 -9.583 1.00 0.00 C ATOM 352 O ALA A 23 -2.764 -3.079 -9.441 1.00 0.00 O ATOM 353 CB ALA A 23 -5.503 -4.664 -10.998 1.00 0.00 C ATOM 0 H ALA A 23 -6.085 -5.511 -8.756 1.00 0.00 H new ATOM 0 HA ALA A 23 -3.659 -5.315 -10.144 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -5.035 -4.240 -11.886 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -5.832 -5.681 -11.211 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -6.363 -4.056 -10.716 1.00 0.00 H new ATOM 359 N LEU A 24 -4.882 -2.319 -9.498 1.00 0.00 N ATOM 360 CA LEU A 24 -4.503 -0.941 -9.226 1.00 0.00 C ATOM 361 C LEU A 24 -3.852 -0.847 -7.850 1.00 0.00 C ATOM 362 O LEU A 24 -2.911 -0.084 -7.644 1.00 0.00 O ATOM 363 CB LEU A 24 -5.729 -0.027 -9.312 1.00 0.00 C ATOM 364 CG LEU A 24 -5.980 0.593 -10.688 1.00 0.00 C ATOM 365 CD1 LEU A 24 -4.807 1.463 -11.118 1.00 0.00 C ATOM 366 CD2 LEU A 24 -6.242 -0.503 -11.706 1.00 0.00 C ATOM 0 H LEU A 24 -5.884 -2.468 -9.613 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.782 -0.613 -9.975 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.610 -0.599 -9.022 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.616 0.776 -8.584 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.859 1.234 -10.626 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.012 1.891 -12.099 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.665 2.266 -10.394 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.903 0.856 -11.169 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.420 -0.056 -12.684 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.376 -1.163 -11.761 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -7.118 -1.078 -11.405 1.00 0.00 H new ATOM 378 N GLY A 25 -4.345 -1.648 -6.909 1.00 0.00 N ATOM 379 CA GLY A 25 -3.779 -1.643 -5.575 1.00 0.00 C ATOM 380 C GLY A 25 -2.317 -2.038 -5.594 1.00 0.00 C ATOM 381 O GLY A 25 -1.485 -1.437 -4.906 1.00 0.00 O ATOM 0 H GLY A 25 -5.121 -2.296 -7.047 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.884 -0.650 -5.137 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -4.335 -2.332 -4.939 1.00 0.00 H new ATOM 385 N GLU A 26 -1.990 -3.038 -6.411 1.00 0.00 N ATOM 386 CA GLU A 26 -0.612 -3.481 -6.535 1.00 0.00 C ATOM 387 C GLU A 26 0.265 -2.305 -6.936 1.00 0.00 C ATOM 388 O GLU A 26 1.451 -2.259 -6.610 1.00 0.00 O ATOM 389 CB GLU A 26 -0.489 -4.610 -7.558 1.00 0.00 C ATOM 390 CG GLU A 26 -0.545 -5.994 -6.933 1.00 0.00 C ATOM 391 CD GLU A 26 0.812 -6.669 -6.885 1.00 0.00 C ATOM 392 OE1 GLU A 26 1.306 -7.087 -7.954 1.00 0.00 O ATOM 393 OE2 GLU A 26 1.382 -6.781 -5.779 1.00 0.00 O ATOM 0 H GLU A 26 -2.657 -3.549 -6.990 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.281 -3.867 -5.571 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.291 -4.517 -8.290 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.451 -4.501 -8.099 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.943 -5.916 -5.921 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.236 -6.617 -7.501 1.00 0.00 H new ATOM 400 N GLN A 27 -0.338 -1.339 -7.630 1.00 0.00 N ATOM 401 CA GLN A 27 0.387 -0.152 -8.048 1.00 0.00 C ATOM 402 C GLN A 27 0.878 0.606 -6.822 1.00 0.00 C ATOM 403 O GLN A 27 1.943 1.218 -6.844 1.00 0.00 O ATOM 404 CB GLN A 27 -0.494 0.749 -8.915 1.00 0.00 C ATOM 405 CG GLN A 27 -0.650 0.260 -10.346 1.00 0.00 C ATOM 406 CD GLN A 27 -0.454 1.367 -11.361 1.00 0.00 C ATOM 407 OE1 GLN A 27 0.246 1.195 -12.359 1.00 0.00 O ATOM 408 NE2 GLN A 27 -1.074 2.515 -11.109 1.00 0.00 N ATOM 0 H GLN A 27 -1.319 -1.360 -7.910 1.00 0.00 H new ATOM 0 HA GLN A 27 1.244 -0.459 -8.647 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -1.480 0.826 -8.458 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -0.069 1.753 -8.928 1.00 0.00 H new ATOM 0 HG2 GLN A 27 0.071 -0.535 -10.536 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -1.642 -0.173 -10.473 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -1.644 2.613 -10.269 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -0.980 3.298 -11.756 1.00 0.00 H new ATOM 417 N LEU A 28 0.100 0.541 -5.742 1.00 0.00 N ATOM 418 CA LEU A 28 0.471 1.203 -4.494 1.00 0.00 C ATOM 419 C LEU A 28 1.851 0.730 -4.040 1.00 0.00 C ATOM 420 O LEU A 28 2.686 1.527 -3.612 1.00 0.00 O ATOM 421 CB LEU A 28 -0.567 0.914 -3.398 1.00 0.00 C ATOM 422 CG LEU A 28 -0.725 2.004 -2.326 1.00 0.00 C ATOM 423 CD1 LEU A 28 -1.175 3.311 -2.952 1.00 0.00 C ATOM 424 CD2 LEU A 28 -1.712 1.565 -1.248 1.00 0.00 C ATOM 0 H LEU A 28 -0.787 0.039 -5.707 1.00 0.00 H new ATOM 0 HA LEU A 28 0.501 2.278 -4.670 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.535 0.754 -3.873 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.297 -0.019 -2.904 1.00 0.00 H new ATOM 0 HG LEU A 28 0.247 2.161 -1.859 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.281 4.069 -2.176 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.434 3.639 -3.681 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.134 3.165 -3.449 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.808 2.352 -0.500 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.685 1.375 -1.701 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.349 0.654 -0.772 1.00 0.00 H new ATOM 436 N TYR A 29 2.074 -0.579 -4.134 1.00 0.00 N ATOM 437 CA TYR A 29 3.348 -1.174 -3.729 1.00 0.00 C ATOM 438 C TYR A 29 4.483 -0.852 -4.708 1.00 0.00 C ATOM 439 O TYR A 29 5.564 -0.443 -4.291 1.00 0.00 O ATOM 440 CB TYR A 29 3.205 -2.691 -3.588 1.00 0.00 C ATOM 441 CG TYR A 29 4.498 -3.395 -3.237 1.00 0.00 C ATOM 442 CD1 TYR A 29 5.238 -3.027 -2.119 1.00 0.00 C ATOM 443 CD2 TYR A 29 4.978 -4.430 -4.027 1.00 0.00 C ATOM 444 CE1 TYR A 29 6.419 -3.672 -1.798 1.00 0.00 C ATOM 445 CE2 TYR A 29 6.157 -5.082 -3.715 1.00 0.00 C ATOM 446 CZ TYR A 29 6.874 -4.699 -2.600 1.00 0.00 C ATOM 447 OH TYR A 29 8.047 -5.346 -2.285 1.00 0.00 O ATOM 0 H TYR A 29 1.390 -1.249 -4.487 1.00 0.00 H new ATOM 0 HA TYR A 29 3.610 -0.736 -2.766 1.00 0.00 H new ATOM 0 HB2 TYR A 29 2.464 -2.907 -2.819 1.00 0.00 H new ATOM 0 HB3 TYR A 29 2.822 -3.099 -4.523 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.885 -2.223 -1.490 1.00 0.00 H new ATOM 0 HD2 TYR A 29 4.421 -4.732 -4.901 1.00 0.00 H new ATOM 0 HE1 TYR A 29 6.981 -3.374 -0.925 1.00 0.00 H new ATOM 0 HE2 TYR A 29 6.515 -5.886 -4.341 1.00 0.00 H new ATOM 0 HH TYR A 29 8.224 -6.044 -2.950 1.00 0.00 H new ATOM 457 N LYS A 30 4.256 -1.050 -6.005 1.00 0.00 N ATOM 458 CA LYS A 30 5.301 -0.782 -6.993 1.00 0.00 C ATOM 459 C LYS A 30 5.693 0.693 -6.990 1.00 0.00 C ATOM 460 O LYS A 30 6.845 1.038 -7.255 1.00 0.00 O ATOM 461 CB LYS A 30 4.861 -1.206 -8.396 1.00 0.00 C ATOM 462 CG LYS A 30 3.738 -0.365 -8.972 1.00 0.00 C ATOM 463 CD LYS A 30 2.994 -1.118 -10.063 1.00 0.00 C ATOM 464 CE LYS A 30 3.812 -1.203 -11.340 1.00 0.00 C ATOM 465 NZ LYS A 30 2.975 -0.965 -12.549 1.00 0.00 N ATOM 0 H LYS A 30 3.375 -1.389 -6.392 1.00 0.00 H new ATOM 0 HA LYS A 30 6.172 -1.374 -6.713 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.720 -1.155 -9.066 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.542 -2.248 -8.366 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.044 -0.088 -8.179 1.00 0.00 H new ATOM 0 HG3 LYS A 30 4.145 0.561 -9.378 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.756 -2.123 -9.715 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.047 -0.619 -10.269 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.618 -0.470 -11.305 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.278 -2.186 -11.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 3.568 -1.031 -13.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.221 -1.680 -12.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.550 -0.017 -12.496 1.00 0.00 H new ATOM 479 N LYS A 31 4.730 1.555 -6.685 1.00 0.00 N ATOM 480 CA LYS A 31 4.975 2.991 -6.645 1.00 0.00 C ATOM 481 C LYS A 31 6.019 3.326 -5.587 1.00 0.00 C ATOM 482 O LYS A 31 6.888 4.171 -5.805 1.00 0.00 O ATOM 483 CB LYS A 31 3.675 3.737 -6.348 1.00 0.00 C ATOM 484 CG LYS A 31 3.611 5.124 -6.965 1.00 0.00 C ATOM 485 CD LYS A 31 2.740 5.135 -8.212 1.00 0.00 C ATOM 486 CE LYS A 31 3.441 5.806 -9.383 1.00 0.00 C ATOM 487 NZ LYS A 31 3.505 4.916 -10.576 1.00 0.00 N ATOM 0 H LYS A 31 3.772 1.284 -6.462 1.00 0.00 H new ATOM 0 HA LYS A 31 5.352 3.304 -7.618 1.00 0.00 H new ATOM 0 HB2 LYS A 31 2.836 3.147 -6.716 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.555 3.824 -5.268 1.00 0.00 H new ATOM 0 HG2 LYS A 31 3.215 5.831 -6.236 1.00 0.00 H new ATOM 0 HG3 LYS A 31 4.617 5.458 -7.219 1.00 0.00 H new ATOM 0 HD2 LYS A 31 2.479 4.112 -8.482 1.00 0.00 H new ATOM 0 HD3 LYS A 31 1.807 5.657 -7.999 1.00 0.00 H new ATOM 0 HE2 LYS A 31 2.915 6.725 -9.643 1.00 0.00 H new ATOM 0 HE3 LYS A 31 4.451 6.090 -9.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 3.990 5.410 -11.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.029 4.050 -10.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 2.541 4.665 -10.874 1.00 0.00 H new ATOM 501 N VAL A 32 5.939 2.647 -4.450 1.00 0.00 N ATOM 502 CA VAL A 32 6.894 2.867 -3.376 1.00 0.00 C ATOM 503 C VAL A 32 8.178 2.094 -3.647 1.00 0.00 C ATOM 504 O VAL A 32 9.276 2.603 -3.420 1.00 0.00 O ATOM 505 CB VAL A 32 6.328 2.472 -1.998 1.00 0.00 C ATOM 506 CG1 VAL A 32 5.354 3.525 -1.503 1.00 0.00 C ATOM 507 CG2 VAL A 32 5.666 1.108 -2.052 1.00 0.00 C ATOM 0 H VAL A 32 5.227 1.944 -4.250 1.00 0.00 H new ATOM 0 HA VAL A 32 7.105 3.936 -3.350 1.00 0.00 H new ATOM 0 HB VAL A 32 7.158 2.412 -1.294 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.964 3.230 -0.529 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.867 4.482 -1.414 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.530 3.620 -2.210 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.275 0.854 -1.067 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.848 1.129 -2.772 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.398 0.360 -2.356 1.00 0.00 H new ATOM 517 N SER A 33 8.041 0.865 -4.149 1.00 0.00 N ATOM 518 CA SER A 33 9.199 0.036 -4.465 1.00 0.00 C ATOM 519 C SER A 33 9.878 0.506 -5.753 1.00 0.00 C ATOM 520 O SER A 33 10.797 -0.145 -6.251 1.00 0.00 O ATOM 521 CB SER A 33 8.784 -1.433 -4.598 1.00 0.00 C ATOM 522 OG SER A 33 8.126 -1.671 -5.829 1.00 0.00 O ATOM 0 H SER A 33 7.141 0.426 -4.344 1.00 0.00 H new ATOM 0 HA SER A 33 9.913 0.132 -3.647 1.00 0.00 H new ATOM 0 HB2 SER A 33 9.665 -2.070 -4.525 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.125 -1.704 -3.773 1.00 0.00 H new ATOM 0 HG SER A 33 7.874 -2.616 -5.888 1.00 0.00 H new ATOM 528 N ALA A 34 9.431 1.648 -6.285 1.00 0.00 N ATOM 529 CA ALA A 34 10.003 2.207 -7.503 1.00 0.00 C ATOM 530 C ALA A 34 11.481 2.556 -7.316 1.00 0.00 C ATOM 531 O ALA A 34 12.161 2.933 -8.271 1.00 0.00 O ATOM 532 CB ALA A 34 9.217 3.439 -7.930 1.00 0.00 C ATOM 0 H ALA A 34 8.672 2.201 -5.886 1.00 0.00 H new ATOM 0 HA ALA A 34 9.937 1.452 -8.286 1.00 0.00 H new ATOM 0 HB1 ALA A 34 9.652 3.850 -8.841 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.179 3.162 -8.116 1.00 0.00 H new ATOM 0 HB3 ALA A 34 9.257 4.188 -7.139 1.00 0.00 H new ATOM 538 N LYS A 35 11.975 2.426 -6.085 1.00 0.00 N ATOM 539 CA LYS A 35 13.369 2.726 -5.784 1.00 0.00 C ATOM 540 C LYS A 35 14.175 1.438 -5.622 1.00 0.00 C ATOM 541 O LYS A 35 15.386 1.422 -5.834 1.00 0.00 O ATOM 542 CB LYS A 35 13.464 3.563 -4.504 1.00 0.00 C ATOM 543 CG LYS A 35 13.788 5.027 -4.751 1.00 0.00 C ATOM 544 CD LYS A 35 13.549 5.869 -3.508 1.00 0.00 C ATOM 545 CE LYS A 35 13.052 7.260 -3.864 1.00 0.00 C ATOM 546 NZ LYS A 35 14.050 8.021 -4.666 1.00 0.00 N ATOM 0 H LYS A 35 11.428 2.115 -5.282 1.00 0.00 H new ATOM 0 HA LYS A 35 13.784 3.295 -6.616 1.00 0.00 H new ATOM 0 HB2 LYS A 35 12.518 3.496 -3.966 1.00 0.00 H new ATOM 0 HB3 LYS A 35 14.230 3.135 -3.857 1.00 0.00 H new ATOM 0 HG2 LYS A 35 14.828 5.123 -5.062 1.00 0.00 H new ATOM 0 HG3 LYS A 35 13.175 5.403 -5.570 1.00 0.00 H new ATOM 0 HD2 LYS A 35 12.820 5.374 -2.867 1.00 0.00 H new ATOM 0 HD3 LYS A 35 14.474 5.947 -2.937 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.121 7.180 -4.425 1.00 0.00 H new ATOM 0 HE3 LYS A 35 12.827 7.809 -2.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.708 8.992 -4.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 14.957 8.048 -4.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 14.183 7.556 -5.586 1.00 0.00 H new ATOM 560 N THR A 36 13.493 0.359 -5.249 1.00 0.00 N ATOM 561 CA THR A 36 14.144 -0.935 -5.066 1.00 0.00 C ATOM 562 C THR A 36 13.117 -2.022 -4.765 1.00 0.00 C ATOM 563 O THR A 36 11.980 -1.729 -4.397 1.00 0.00 O ATOM 564 CB THR A 36 15.171 -0.859 -3.934 1.00 0.00 C ATOM 565 OG1 THR A 36 15.623 -2.156 -3.581 1.00 0.00 O ATOM 566 CG2 THR A 36 14.635 -0.205 -2.679 1.00 0.00 C ATOM 0 H THR A 36 12.489 0.355 -5.067 1.00 0.00 H new ATOM 0 HA THR A 36 14.656 -1.190 -5.994 1.00 0.00 H new ATOM 0 HB THR A 36 15.984 -0.247 -4.324 1.00 0.00 H new ATOM 0 HG1 THR A 36 16.280 -2.088 -2.857 1.00 0.00 H new ATOM 0 HG21 THR A 36 15.415 -0.184 -1.918 1.00 0.00 H new ATOM 0 HG22 THR A 36 14.322 0.814 -2.905 1.00 0.00 H new ATOM 0 HG23 THR A 36 13.782 -0.773 -2.309 1.00 0.00 H new ATOM 574 N SER A 37 13.528 -3.280 -4.917 1.00 0.00 N ATOM 575 CA SER A 37 12.644 -4.414 -4.657 1.00 0.00 C ATOM 576 C SER A 37 12.695 -4.818 -3.185 1.00 0.00 C ATOM 577 O SER A 37 12.622 -6.000 -2.849 1.00 0.00 O ATOM 578 CB SER A 37 13.033 -5.601 -5.540 1.00 0.00 C ATOM 579 OG SER A 37 14.384 -5.975 -5.328 1.00 0.00 O ATOM 0 H SER A 37 14.467 -3.539 -5.219 1.00 0.00 H new ATOM 0 HA SER A 37 11.624 -4.112 -4.895 1.00 0.00 H new ATOM 0 HB2 SER A 37 12.380 -6.447 -5.325 1.00 0.00 H new ATOM 0 HB3 SER A 37 12.884 -5.342 -6.588 1.00 0.00 H new ATOM 0 HG SER A 37 14.607 -6.737 -5.903 1.00 0.00 H new ATOM 585 N ASN A 38 12.803 -3.821 -2.316 1.00 0.00 N ATOM 586 CA ASN A 38 12.845 -4.049 -0.879 1.00 0.00 C ATOM 587 C ASN A 38 11.440 -4.289 -0.327 1.00 0.00 C ATOM 588 O ASN A 38 10.687 -3.343 -0.101 1.00 0.00 O ATOM 589 CB ASN A 38 13.490 -2.857 -0.175 1.00 0.00 C ATOM 590 CG ASN A 38 14.534 -3.275 0.841 1.00 0.00 C ATOM 591 OD1 ASN A 38 14.284 -3.265 2.046 1.00 0.00 O ATOM 592 ND2 ASN A 38 15.716 -3.644 0.358 1.00 0.00 N ATOM 0 H ASN A 38 12.863 -2.839 -2.585 1.00 0.00 H new ATOM 0 HA ASN A 38 13.445 -4.939 -0.691 1.00 0.00 H new ATOM 0 HB2 ASN A 38 13.952 -2.207 -0.918 1.00 0.00 H new ATOM 0 HB3 ASN A 38 12.717 -2.272 0.324 1.00 0.00 H new ATOM 0 HD21 ASN A 38 16.459 -3.934 0.994 1.00 0.00 H new ATOM 0 HD22 ASN A 38 15.880 -3.637 -0.649 1.00 0.00 H new ATOM 599 N GLU A 39 11.091 -5.553 -0.110 1.00 0.00 N ATOM 600 CA GLU A 39 9.771 -5.897 0.414 1.00 0.00 C ATOM 601 C GLU A 39 9.530 -5.245 1.774 1.00 0.00 C ATOM 602 O GLU A 39 8.386 -5.031 2.175 1.00 0.00 O ATOM 603 CB GLU A 39 9.621 -7.416 0.527 1.00 0.00 C ATOM 604 CG GLU A 39 9.230 -8.085 -0.781 1.00 0.00 C ATOM 605 CD GLU A 39 8.618 -9.458 -0.576 1.00 0.00 C ATOM 606 OE1 GLU A 39 9.211 -10.267 0.169 1.00 0.00 O ATOM 607 OE2 GLU A 39 7.548 -9.724 -1.163 1.00 0.00 O ATOM 0 H GLU A 39 11.699 -6.353 -0.287 1.00 0.00 H new ATOM 0 HA GLU A 39 9.025 -5.517 -0.284 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.562 -7.841 0.876 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.868 -7.644 1.282 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.520 -7.450 -1.311 1.00 0.00 H new ATOM 0 HG3 GLU A 39 10.111 -8.176 -1.416 1.00 0.00 H new ATOM 614 N GLU A 40 10.610 -4.931 2.483 1.00 0.00 N ATOM 615 CA GLU A 40 10.503 -4.303 3.796 1.00 0.00 C ATOM 616 C GLU A 40 10.347 -2.790 3.674 1.00 0.00 C ATOM 617 O GLU A 40 9.762 -2.146 4.541 1.00 0.00 O ATOM 618 CB GLU A 40 11.730 -4.635 4.647 1.00 0.00 C ATOM 619 CG GLU A 40 11.434 -5.620 5.764 1.00 0.00 C ATOM 620 CD GLU A 40 11.207 -4.937 7.098 1.00 0.00 C ATOM 621 OE1 GLU A 40 12.131 -4.247 7.577 1.00 0.00 O ATOM 622 OE2 GLU A 40 10.103 -5.089 7.663 1.00 0.00 O ATOM 0 H GLU A 40 11.566 -5.100 2.172 1.00 0.00 H new ATOM 0 HA GLU A 40 9.612 -4.699 4.284 1.00 0.00 H new ATOM 0 HB2 GLU A 40 12.509 -5.047 4.005 1.00 0.00 H new ATOM 0 HB3 GLU A 40 12.125 -3.715 5.078 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.551 -6.204 5.504 1.00 0.00 H new ATOM 0 HG3 GLU A 40 12.264 -6.321 5.855 1.00 0.00 H new ATOM 629 N ALA A 41 10.879 -2.229 2.599 1.00 0.00 N ATOM 630 CA ALA A 41 10.807 -0.793 2.372 1.00 0.00 C ATOM 631 C ALA A 41 9.433 -0.365 1.877 1.00 0.00 C ATOM 632 O ALA A 41 8.694 0.329 2.576 1.00 0.00 O ATOM 633 CB ALA A 41 11.854 -0.376 1.369 1.00 0.00 C ATOM 0 H ALA A 41 11.367 -2.747 1.868 1.00 0.00 H new ATOM 0 HA ALA A 41 10.990 -0.302 3.328 1.00 0.00 H new ATOM 0 HB1 ALA A 41 11.793 0.700 1.205 1.00 0.00 H new ATOM 0 HB2 ALA A 41 12.844 -0.630 1.749 1.00 0.00 H new ATOM 0 HB3 ALA A 41 11.683 -0.897 0.427 1.00 0.00 H new ATOM 639 N ALA A 42 9.110 -0.779 0.662 1.00 0.00 N ATOM 640 CA ALA A 42 7.838 -0.443 0.048 1.00 0.00 C ATOM 641 C ALA A 42 6.680 -0.965 0.882 1.00 0.00 C ATOM 642 O ALA A 42 5.620 -0.341 0.948 1.00 0.00 O ATOM 643 CB ALA A 42 7.783 -0.997 -1.364 1.00 0.00 C ATOM 0 H ALA A 42 9.718 -1.353 0.078 1.00 0.00 H new ATOM 0 HA ALA A 42 7.748 0.642 0.000 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.826 -0.741 -1.818 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.592 -0.567 -1.955 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.892 -2.081 -1.334 1.00 0.00 H new ATOM 649 N GLY A 43 6.893 -2.100 1.535 1.00 0.00 N ATOM 650 CA GLY A 43 5.862 -2.667 2.375 1.00 0.00 C ATOM 651 C GLY A 43 5.580 -1.788 3.574 1.00 0.00 C ATOM 652 O GLY A 43 4.486 -1.824 4.138 1.00 0.00 O ATOM 0 H GLY A 43 7.760 -2.636 1.497 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.949 -2.797 1.795 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.169 -3.657 2.712 1.00 0.00 H new ATOM 656 N LYS A 44 6.572 -0.988 3.959 1.00 0.00 N ATOM 657 CA LYS A 44 6.427 -0.086 5.094 1.00 0.00 C ATOM 658 C LYS A 44 5.507 1.076 4.744 1.00 0.00 C ATOM 659 O LYS A 44 4.551 1.364 5.464 1.00 0.00 O ATOM 660 CB LYS A 44 7.796 0.439 5.538 1.00 0.00 C ATOM 661 CG LYS A 44 8.156 0.063 6.967 1.00 0.00 C ATOM 662 CD LYS A 44 8.331 -1.440 7.124 1.00 0.00 C ATOM 663 CE LYS A 44 7.080 -2.103 7.676 1.00 0.00 C ATOM 664 NZ LYS A 44 7.091 -2.163 9.161 1.00 0.00 N ATOM 0 H LYS A 44 7.483 -0.948 3.501 1.00 0.00 H new ATOM 0 HA LYS A 44 5.981 -0.644 5.918 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.561 0.051 4.865 1.00 0.00 H new ATOM 0 HB3 LYS A 44 7.808 1.525 5.442 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.077 0.569 7.256 1.00 0.00 H new ATOM 0 HG3 LYS A 44 7.375 0.411 7.643 1.00 0.00 H new ATOM 0 HD2 LYS A 44 8.578 -1.879 6.158 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.171 -1.640 7.789 1.00 0.00 H new ATOM 0 HE2 LYS A 44 6.200 -1.553 7.342 1.00 0.00 H new ATOM 0 HE3 LYS A 44 6.997 -3.112 7.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.220 -2.622 9.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 7.916 -2.710 9.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 7.144 -1.199 9.547 1.00 0.00 H new ATOM 678 N ILE A 45 5.797 1.738 3.630 1.00 0.00 N ATOM 679 CA ILE A 45 4.992 2.866 3.184 1.00 0.00 C ATOM 680 C ILE A 45 3.610 2.400 2.738 1.00 0.00 C ATOM 681 O ILE A 45 2.613 3.089 2.954 1.00 0.00 O ATOM 682 CB ILE A 45 5.667 3.624 2.025 1.00 0.00 C ATOM 683 CG1 ILE A 45 7.136 3.903 2.342 1.00 0.00 C ATOM 684 CG2 ILE A 45 4.936 4.925 1.737 1.00 0.00 C ATOM 685 CD1 ILE A 45 7.956 4.196 1.112 1.00 0.00 C ATOM 0 H ILE A 45 6.583 1.513 3.020 1.00 0.00 H new ATOM 0 HA ILE A 45 4.894 3.543 4.033 1.00 0.00 H new ATOM 0 HB ILE A 45 5.619 2.994 1.137 1.00 0.00 H new ATOM 0 HG12 ILE A 45 7.200 4.750 3.026 1.00 0.00 H new ATOM 0 HG13 ILE A 45 7.561 3.043 2.859 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.429 5.445 0.915 1.00 0.00 H new ATOM 0 HG22 ILE A 45 3.903 4.709 1.463 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.951 5.555 2.626 1.00 0.00 H new ATOM 0 HD11 ILE A 45 8.990 4.386 1.401 1.00 0.00 H new ATOM 0 HD12 ILE A 45 7.919 3.340 0.438 1.00 0.00 H new ATOM 0 HD13 ILE A 45 7.553 5.074 0.607 1.00 0.00 H new ATOM 697 N THR A 46 3.556 1.220 2.124 1.00 0.00 N ATOM 698 CA THR A 46 2.292 0.659 1.659 1.00 0.00 C ATOM 699 C THR A 46 1.312 0.532 2.820 1.00 0.00 C ATOM 700 O THR A 46 0.119 0.800 2.673 1.00 0.00 O ATOM 701 CB THR A 46 2.516 -0.713 1.011 1.00 0.00 C ATOM 702 OG1 THR A 46 3.410 -0.615 -0.087 1.00 0.00 O ATOM 703 CG2 THR A 46 1.238 -1.360 0.513 1.00 0.00 C ATOM 0 H THR A 46 4.371 0.636 1.938 1.00 0.00 H new ATOM 0 HA THR A 46 1.872 1.333 0.912 1.00 0.00 H new ATOM 0 HB THR A 46 2.933 -1.337 1.801 1.00 0.00 H new ATOM 0 HG1 THR A 46 4.294 -0.942 0.181 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.470 -2.327 0.067 1.00 0.00 H new ATOM 0 HG22 THR A 46 0.552 -1.501 1.348 1.00 0.00 H new ATOM 0 HG23 THR A 46 0.772 -0.718 -0.234 1.00 0.00 H new ATOM 711 N GLY A 47 1.825 0.121 3.979 1.00 0.00 N ATOM 712 CA GLY A 47 0.984 -0.035 5.151 1.00 0.00 C ATOM 713 C GLY A 47 0.361 1.276 5.581 1.00 0.00 C ATOM 714 O GLY A 47 -0.764 1.302 6.079 1.00 0.00 O ATOM 0 H GLY A 47 2.809 -0.106 4.125 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.197 -0.758 4.938 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.577 -0.441 5.971 1.00 0.00 H new ATOM 718 N MET A 48 1.089 2.370 5.377 1.00 0.00 N ATOM 719 CA MET A 48 0.589 3.690 5.734 1.00 0.00 C ATOM 720 C MET A 48 -0.469 4.131 4.730 1.00 0.00 C ATOM 721 O MET A 48 -1.570 4.526 5.111 1.00 0.00 O ATOM 722 CB MET A 48 1.734 4.700 5.798 1.00 0.00 C ATOM 723 CG MET A 48 2.940 4.189 6.570 1.00 0.00 C ATOM 724 SD MET A 48 3.739 5.477 7.548 1.00 0.00 S ATOM 725 CE MET A 48 5.448 4.946 7.472 1.00 0.00 C ATOM 0 H MET A 48 2.023 2.367 4.968 1.00 0.00 H new ATOM 0 HA MET A 48 0.132 3.640 6.722 1.00 0.00 H new ATOM 0 HB2 MET A 48 2.041 4.956 4.784 1.00 0.00 H new ATOM 0 HB3 MET A 48 1.375 5.618 6.263 1.00 0.00 H new ATOM 0 HG2 MET A 48 2.627 3.379 7.229 1.00 0.00 H new ATOM 0 HG3 MET A 48 3.663 3.769 5.870 1.00 0.00 H new ATOM 0 HE1 MET A 48 6.084 5.698 7.940 1.00 0.00 H new ATOM 0 HE2 MET A 48 5.558 3.998 7.999 1.00 0.00 H new ATOM 0 HE3 MET A 48 5.743 4.819 6.431 1.00 0.00 H new ATOM 735 N ILE A 49 -0.142 4.031 3.440 1.00 0.00 N ATOM 736 CA ILE A 49 -1.087 4.391 2.389 1.00 0.00 C ATOM 737 C ILE A 49 -2.224 3.370 2.321 1.00 0.00 C ATOM 738 O ILE A 49 -3.182 3.540 1.566 1.00 0.00 O ATOM 739 CB ILE A 49 -0.410 4.473 1.005 1.00 0.00 C ATOM 740 CG1 ILE A 49 0.870 5.307 1.075 1.00 0.00 C ATOM 741 CG2 ILE A 49 -1.372 5.062 -0.014 1.00 0.00 C ATOM 742 CD1 ILE A 49 1.929 4.873 0.086 1.00 0.00 C ATOM 0 H ILE A 49 0.764 3.706 3.103 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.480 5.376 2.642 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.141 3.464 0.693 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.623 6.353 0.894 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.279 5.246 2.083 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.884 5.115 -0.987 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.257 4.430 -0.086 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.666 6.064 0.300 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.808 5.508 0.192 1.00 0.00 H new ATOM 0 HD12 ILE A 49 2.205 3.836 0.280 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.538 4.961 -0.928 1.00 0.00 H new ATOM 754 N LEU A 50 -2.111 2.314 3.129 1.00 0.00 N ATOM 755 CA LEU A 50 -3.121 1.265 3.186 1.00 0.00 C ATOM 756 C LEU A 50 -4.437 1.794 3.764 1.00 0.00 C ATOM 757 O LEU A 50 -5.380 1.032 3.973 1.00 0.00 O ATOM 758 CB LEU A 50 -2.609 0.099 4.036 1.00 0.00 C ATOM 759 CG LEU A 50 -2.768 -1.286 3.405 1.00 0.00 C ATOM 760 CD1 LEU A 50 -4.221 -1.544 3.035 1.00 0.00 C ATOM 761 CD2 LEU A 50 -1.870 -1.420 2.184 1.00 0.00 C ATOM 0 H LEU A 50 -1.321 2.166 3.757 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.312 0.920 2.170 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.553 0.263 4.252 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.134 0.108 4.991 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.466 -2.035 4.137 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.312 -2.534 2.588 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.839 -1.492 3.931 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.554 -0.791 2.320 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.995 -2.411 1.747 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.140 -0.662 1.449 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.830 -1.283 2.480 1.00 0.00 H new ATOM 773 N ASP A 51 -4.500 3.102 4.017 1.00 0.00 N ATOM 774 CA ASP A 51 -5.701 3.716 4.560 1.00 0.00 C ATOM 775 C ASP A 51 -6.791 3.804 3.497 1.00 0.00 C ATOM 776 O ASP A 51 -7.979 3.846 3.819 1.00 0.00 O ATOM 777 CB ASP A 51 -5.387 5.113 5.105 1.00 0.00 C ATOM 778 CG ASP A 51 -6.088 5.394 6.419 1.00 0.00 C ATOM 779 OD1 ASP A 51 -6.401 4.425 7.144 1.00 0.00 O ATOM 780 OD2 ASP A 51 -6.324 6.581 6.725 1.00 0.00 O ATOM 0 H ASP A 51 -3.731 3.752 3.853 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.062 3.091 5.377 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.310 5.212 5.243 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -5.685 5.861 4.371 1.00 0.00 H new ATOM 785 N LEU A 52 -6.387 3.828 2.228 1.00 0.00 N ATOM 786 CA LEU A 52 -7.342 3.908 1.135 1.00 0.00 C ATOM 787 C LEU A 52 -7.819 2.517 0.727 1.00 0.00 C ATOM 788 O LEU A 52 -7.011 1.662 0.362 1.00 0.00 O ATOM 789 CB LEU A 52 -6.712 4.616 -0.062 1.00 0.00 C ATOM 790 CG LEU A 52 -6.589 6.132 0.081 1.00 0.00 C ATOM 791 CD1 LEU A 52 -5.770 6.490 1.313 1.00 0.00 C ATOM 792 CD2 LEU A 52 -5.961 6.729 -1.166 1.00 0.00 C ATOM 0 H LEU A 52 -5.410 3.793 1.937 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.204 4.481 1.476 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -5.719 4.200 -0.231 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -7.305 4.396 -0.950 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.589 6.550 0.202 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.694 7.574 1.397 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -6.257 6.090 2.202 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.771 6.062 1.223 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.879 7.810 -1.051 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.968 6.304 -1.313 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.584 6.503 -2.031 1.00 0.00 H new ATOM 804 N PRO A 53 -9.142 2.266 0.776 1.00 0.00 N ATOM 805 CA PRO A 53 -9.705 0.967 0.403 1.00 0.00 C ATOM 806 C PRO A 53 -9.141 0.468 -0.925 1.00 0.00 C ATOM 807 O PRO A 53 -8.425 1.196 -1.610 1.00 0.00 O ATOM 808 CB PRO A 53 -11.206 1.242 0.284 1.00 0.00 C ATOM 809 CG PRO A 53 -11.459 2.433 1.149 1.00 0.00 C ATOM 810 CD PRO A 53 -10.179 3.227 1.193 1.00 0.00 C ATOM 0 HA PRO A 53 -9.467 0.190 1.130 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -11.489 1.440 -0.750 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -11.790 0.384 0.616 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -12.273 3.036 0.746 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -11.756 2.125 2.151 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -10.220 4.085 0.522 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -9.984 3.614 2.193 1.00 0.00 H new ATOM 818 N PRO A 54 -9.446 -0.785 -1.306 1.00 0.00 N ATOM 819 CA PRO A 54 -8.952 -1.377 -2.554 1.00 0.00 C ATOM 820 C PRO A 54 -9.194 -0.490 -3.776 1.00 0.00 C ATOM 821 O PRO A 54 -8.252 -0.084 -4.452 1.00 0.00 O ATOM 822 CB PRO A 54 -9.740 -2.692 -2.675 1.00 0.00 C ATOM 823 CG PRO A 54 -10.814 -2.618 -1.638 1.00 0.00 C ATOM 824 CD PRO A 54 -10.281 -1.729 -0.555 1.00 0.00 C ATOM 0 HA PRO A 54 -7.871 -1.515 -2.525 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -10.166 -2.803 -3.672 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -9.093 -3.553 -2.507 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -11.735 -2.213 -2.058 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -11.050 -3.609 -1.249 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.081 -1.223 -0.014 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -9.702 -2.287 0.181 1.00 0.00 H new ATOM 832 N GLN A 55 -10.454 -0.197 -4.064 1.00 0.00 N ATOM 833 CA GLN A 55 -10.789 0.643 -5.210 1.00 0.00 C ATOM 834 C GLN A 55 -10.530 2.121 -4.915 1.00 0.00 C ATOM 835 O GLN A 55 -10.034 2.858 -5.768 1.00 0.00 O ATOM 836 CB GLN A 55 -12.245 0.438 -5.623 1.00 0.00 C ATOM 837 CG GLN A 55 -12.640 -1.024 -5.741 1.00 0.00 C ATOM 838 CD GLN A 55 -14.073 -1.274 -5.319 1.00 0.00 C ATOM 839 OE1 GLN A 55 -14.953 -1.477 -6.156 1.00 0.00 O ATOM 840 NE2 GLN A 55 -14.316 -1.259 -4.014 1.00 0.00 N ATOM 0 H GLN A 55 -11.257 -0.524 -3.526 1.00 0.00 H new ATOM 0 HA GLN A 55 -10.142 0.344 -6.035 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -12.893 0.924 -4.894 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -12.416 0.931 -6.580 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -12.506 -1.351 -6.772 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -11.973 -1.628 -5.126 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -13.556 -1.087 -3.356 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -15.263 -1.420 -3.670 1.00 0.00 H new ATOM 849 N GLU A 56 -10.880 2.545 -3.703 1.00 0.00 N ATOM 850 CA GLU A 56 -10.703 3.936 -3.283 1.00 0.00 C ATOM 851 C GLU A 56 -9.242 4.373 -3.350 1.00 0.00 C ATOM 852 O GLU A 56 -8.946 5.567 -3.378 1.00 0.00 O ATOM 853 CB GLU A 56 -11.207 4.121 -1.850 1.00 0.00 C ATOM 854 CG GLU A 56 -12.690 4.437 -1.750 1.00 0.00 C ATOM 855 CD GLU A 56 -12.956 5.752 -1.044 1.00 0.00 C ATOM 856 OE1 GLU A 56 -12.824 5.798 0.197 1.00 0.00 O ATOM 857 OE2 GLU A 56 -13.291 6.738 -1.733 1.00 0.00 O ATOM 0 H GLU A 56 -11.290 1.942 -2.990 1.00 0.00 H new ATOM 0 HA GLU A 56 -11.279 4.554 -3.972 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -11.001 3.213 -1.284 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.642 4.925 -1.379 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -13.119 4.472 -2.751 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.195 3.632 -1.215 1.00 0.00 H new ATOM 864 N VAL A 57 -8.333 3.408 -3.366 1.00 0.00 N ATOM 865 CA VAL A 57 -6.910 3.713 -3.416 1.00 0.00 C ATOM 866 C VAL A 57 -6.420 3.846 -4.855 1.00 0.00 C ATOM 867 O VAL A 57 -5.412 4.503 -5.114 1.00 0.00 O ATOM 868 CB VAL A 57 -6.090 2.645 -2.669 1.00 0.00 C ATOM 869 CG1 VAL A 57 -6.185 1.300 -3.364 1.00 0.00 C ATOM 870 CG2 VAL A 57 -4.643 3.079 -2.511 1.00 0.00 C ATOM 0 H VAL A 57 -8.554 2.412 -3.345 1.00 0.00 H new ATOM 0 HA VAL A 57 -6.765 4.672 -2.918 1.00 0.00 H new ATOM 0 HB VAL A 57 -6.515 2.535 -1.671 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -5.597 0.565 -2.815 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.227 0.980 -3.397 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -5.800 1.387 -4.380 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.087 2.306 -1.980 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.200 3.234 -3.495 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.602 4.009 -1.944 1.00 0.00 H new ATOM 880 N PHE A 58 -7.144 3.226 -5.785 1.00 0.00 N ATOM 881 CA PHE A 58 -6.789 3.280 -7.207 1.00 0.00 C ATOM 882 C PHE A 58 -6.434 4.706 -7.645 1.00 0.00 C ATOM 883 O PHE A 58 -5.380 4.932 -8.239 1.00 0.00 O ATOM 884 CB PHE A 58 -7.936 2.756 -8.086 1.00 0.00 C ATOM 885 CG PHE A 58 -8.162 1.272 -8.022 1.00 0.00 C ATOM 886 CD1 PHE A 58 -7.561 0.493 -7.047 1.00 0.00 C ATOM 887 CD2 PHE A 58 -8.997 0.659 -8.944 1.00 0.00 C ATOM 888 CE1 PHE A 58 -7.788 -0.869 -6.996 1.00 0.00 C ATOM 889 CE2 PHE A 58 -9.229 -0.699 -8.896 1.00 0.00 C ATOM 890 CZ PHE A 58 -8.625 -1.464 -7.921 1.00 0.00 C ATOM 0 H PHE A 58 -7.981 2.679 -5.582 1.00 0.00 H new ATOM 0 HA PHE A 58 -5.915 2.642 -7.336 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -8.857 3.261 -7.794 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -7.735 3.033 -9.121 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -6.909 0.954 -6.320 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -9.472 1.254 -9.710 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -7.312 -1.468 -6.234 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -9.882 -1.163 -9.620 1.00 0.00 H new ATOM 0 HZ PHE A 58 -8.806 -2.528 -7.880 1.00 0.00 H new ATOM 900 N PRO A 59 -7.314 5.690 -7.371 1.00 0.00 N ATOM 901 CA PRO A 59 -7.081 7.090 -7.755 1.00 0.00 C ATOM 902 C PRO A 59 -5.776 7.649 -7.193 1.00 0.00 C ATOM 903 O PRO A 59 -5.067 8.391 -7.871 1.00 0.00 O ATOM 904 CB PRO A 59 -8.281 7.836 -7.164 1.00 0.00 C ATOM 905 CG PRO A 59 -9.333 6.798 -6.991 1.00 0.00 C ATOM 906 CD PRO A 59 -8.605 5.522 -6.675 1.00 0.00 C ATOM 0 HA PRO A 59 -6.988 7.195 -8.836 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -8.026 8.302 -6.212 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -8.617 8.632 -7.829 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -10.018 7.066 -6.187 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -9.930 6.693 -7.897 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -8.470 5.391 -5.601 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -9.147 4.649 -7.037 1.00 0.00 H new ATOM 914 N LEU A 60 -5.467 7.294 -5.951 1.00 0.00 N ATOM 915 CA LEU A 60 -4.246 7.764 -5.302 1.00 0.00 C ATOM 916 C LEU A 60 -3.014 7.079 -5.893 1.00 0.00 C ATOM 917 O LEU A 60 -2.036 7.738 -6.246 1.00 0.00 O ATOM 918 CB LEU A 60 -4.323 7.514 -3.791 1.00 0.00 C ATOM 919 CG LEU A 60 -2.975 7.481 -3.061 1.00 0.00 C ATOM 920 CD1 LEU A 60 -2.930 8.528 -1.971 1.00 0.00 C ATOM 921 CD2 LEU A 60 -2.718 6.100 -2.481 1.00 0.00 C ATOM 0 H LEU A 60 -6.044 6.683 -5.373 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.154 8.836 -5.479 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.941 8.291 -3.342 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -4.832 6.565 -3.622 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.190 7.706 -3.784 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.965 8.487 -1.466 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.068 9.516 -2.410 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.725 8.337 -1.250 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.757 6.095 -1.966 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.509 5.849 -1.775 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.703 5.365 -3.285 1.00 0.00 H new ATOM 933 N LEU A 61 -3.060 5.754 -5.976 1.00 0.00 N ATOM 934 CA LEU A 61 -1.938 4.979 -6.499 1.00 0.00 C ATOM 935 C LEU A 61 -1.667 5.259 -7.978 1.00 0.00 C ATOM 936 O LEU A 61 -0.655 4.812 -8.517 1.00 0.00 O ATOM 937 CB LEU A 61 -2.181 3.481 -6.309 1.00 0.00 C ATOM 938 CG LEU A 61 -3.544 2.975 -6.775 1.00 0.00 C ATOM 939 CD1 LEU A 61 -3.513 2.619 -8.251 1.00 0.00 C ATOM 940 CD2 LEU A 61 -3.973 1.780 -5.937 1.00 0.00 C ATOM 0 H LEU A 61 -3.862 5.193 -5.688 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.061 5.290 -5.932 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.406 2.933 -6.846 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.066 3.243 -5.252 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.275 3.772 -6.641 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.495 2.261 -8.560 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.249 3.502 -8.833 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.772 1.838 -8.421 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.946 1.427 -6.278 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.240 0.980 -6.042 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.040 2.075 -4.890 1.00 0.00 H new ATOM 952 N GLU A 62 -2.563 5.985 -8.641 1.00 0.00 N ATOM 953 CA GLU A 62 -2.383 6.286 -10.056 1.00 0.00 C ATOM 954 C GLU A 62 -1.934 7.732 -10.266 1.00 0.00 C ATOM 955 O GLU A 62 -1.522 8.107 -11.364 1.00 0.00 O ATOM 956 CB GLU A 62 -3.682 6.021 -10.824 1.00 0.00 C ATOM 957 CG GLU A 62 -4.800 7.004 -10.510 1.00 0.00 C ATOM 958 CD GLU A 62 -5.892 6.996 -11.561 1.00 0.00 C ATOM 959 OE1 GLU A 62 -5.560 6.905 -12.762 1.00 0.00 O ATOM 960 OE2 GLU A 62 -7.080 7.079 -11.185 1.00 0.00 O ATOM 0 H GLU A 62 -3.411 6.371 -8.226 1.00 0.00 H new ATOM 0 HA GLU A 62 -1.600 5.632 -10.440 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.473 6.054 -11.893 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.026 5.012 -10.598 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.232 6.760 -9.540 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.384 8.009 -10.430 1.00 0.00 H new ATOM 967 N SER A 63 -2.013 8.537 -9.211 1.00 0.00 N ATOM 968 CA SER A 63 -1.612 9.935 -9.288 1.00 0.00 C ATOM 969 C SER A 63 -0.314 10.172 -8.521 1.00 0.00 C ATOM 970 O SER A 63 -0.223 9.884 -7.328 1.00 0.00 O ATOM 971 CB SER A 63 -2.718 10.829 -8.729 1.00 0.00 C ATOM 972 OG SER A 63 -2.889 11.991 -9.522 1.00 0.00 O ATOM 0 H SER A 63 -2.351 8.244 -8.294 1.00 0.00 H new ATOM 0 HA SER A 63 -1.443 10.185 -10.335 1.00 0.00 H new ATOM 0 HB2 SER A 63 -3.654 10.272 -8.689 1.00 0.00 H new ATOM 0 HB3 SER A 63 -2.475 11.116 -7.706 1.00 0.00 H new ATOM 0 HG SER A 63 -3.604 12.544 -9.142 1.00 0.00 H new ATOM 978 N ASP A 64 0.689 10.699 -9.215 1.00 0.00 N ATOM 979 CA ASP A 64 1.981 10.974 -8.600 1.00 0.00 C ATOM 980 C ASP A 64 1.840 11.968 -7.451 1.00 0.00 C ATOM 981 O ASP A 64 2.335 11.734 -6.349 1.00 0.00 O ATOM 982 CB ASP A 64 2.954 11.523 -9.642 1.00 0.00 C ATOM 983 CG ASP A 64 4.396 11.448 -9.183 1.00 0.00 C ATOM 984 OD1 ASP A 64 4.831 10.354 -8.769 1.00 0.00 O ATOM 985 OD2 ASP A 64 5.090 12.486 -9.235 1.00 0.00 O ATOM 0 H ASP A 64 0.631 10.944 -10.203 1.00 0.00 H new ATOM 0 HA ASP A 64 2.371 10.038 -8.200 1.00 0.00 H new ATOM 0 HB2 ASP A 64 2.842 10.963 -10.570 1.00 0.00 H new ATOM 0 HB3 ASP A 64 2.699 12.560 -9.862 1.00 0.00 H new ATOM 990 N GLU A 65 1.164 13.081 -7.720 1.00 0.00 N ATOM 991 CA GLU A 65 0.960 14.117 -6.713 1.00 0.00 C ATOM 992 C GLU A 65 0.199 13.574 -5.509 1.00 0.00 C ATOM 993 O GLU A 65 0.634 13.729 -4.368 1.00 0.00 O ATOM 994 CB GLU A 65 0.206 15.300 -7.317 1.00 0.00 C ATOM 995 CG GLU A 65 1.090 16.233 -8.128 1.00 0.00 C ATOM 996 CD GLU A 65 1.699 17.338 -7.287 1.00 0.00 C ATOM 997 OE1 GLU A 65 1.205 17.571 -6.163 1.00 0.00 O ATOM 998 OE2 GLU A 65 2.669 17.972 -7.753 1.00 0.00 O ATOM 0 H GLU A 65 0.748 13.289 -8.628 1.00 0.00 H new ATOM 0 HA GLU A 65 1.940 14.452 -6.373 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -0.593 14.923 -7.956 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.267 15.867 -6.515 1.00 0.00 H new ATOM 0 HG2 GLU A 65 1.888 15.656 -8.596 1.00 0.00 H new ATOM 0 HG3 GLU A 65 0.503 16.676 -8.933 1.00 0.00 H new ATOM 1005 N LEU A 66 -0.935 12.930 -5.766 1.00 0.00 N ATOM 1006 CA LEU A 66 -1.744 12.360 -4.695 1.00 0.00 C ATOM 1007 C LEU A 66 -0.926 11.355 -3.885 1.00 0.00 C ATOM 1008 O LEU A 66 -1.184 11.135 -2.700 1.00 0.00 O ATOM 1009 CB LEU A 66 -2.995 11.694 -5.275 1.00 0.00 C ATOM 1010 CG LEU A 66 -4.295 12.000 -4.531 1.00 0.00 C ATOM 1011 CD1 LEU A 66 -4.143 11.682 -3.055 1.00 0.00 C ATOM 1012 CD2 LEU A 66 -4.694 13.455 -4.735 1.00 0.00 C ATOM 0 H LEU A 66 -1.313 12.790 -6.703 1.00 0.00 H new ATOM 0 HA LEU A 66 -2.057 13.163 -4.028 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.106 12.007 -6.313 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.843 10.615 -5.282 1.00 0.00 H new ATOM 0 HG LEU A 66 -5.088 11.371 -4.936 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -5.076 11.904 -2.537 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.903 10.626 -2.933 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -3.341 12.287 -2.633 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -5.621 13.657 -4.199 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.906 14.105 -4.354 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.840 13.647 -5.798 1.00 0.00 H new ATOM 1024 N PHE A 67 0.072 10.761 -4.532 1.00 0.00 N ATOM 1025 CA PHE A 67 0.937 9.792 -3.870 1.00 0.00 C ATOM 1026 C PHE A 67 1.951 10.498 -2.986 1.00 0.00 C ATOM 1027 O PHE A 67 2.101 10.172 -1.811 1.00 0.00 O ATOM 1028 CB PHE A 67 1.674 8.928 -4.896 1.00 0.00 C ATOM 1029 CG PHE A 67 2.047 7.573 -4.365 1.00 0.00 C ATOM 1030 CD1 PHE A 67 1.082 6.594 -4.218 1.00 0.00 C ATOM 1031 CD2 PHE A 67 3.356 7.278 -4.002 1.00 0.00 C ATOM 1032 CE1 PHE A 67 1.409 5.349 -3.724 1.00 0.00 C ATOM 1033 CE2 PHE A 67 3.686 6.033 -3.505 1.00 0.00 C ATOM 1034 CZ PHE A 67 2.709 5.067 -3.367 1.00 0.00 C ATOM 0 H PHE A 67 0.301 10.933 -5.511 1.00 0.00 H new ATOM 0 HA PHE A 67 0.306 9.151 -3.254 1.00 0.00 H new ATOM 0 HB2 PHE A 67 1.045 8.806 -5.778 1.00 0.00 H new ATOM 0 HB3 PHE A 67 2.577 9.447 -5.218 1.00 0.00 H new ATOM 0 HD1 PHE A 67 0.060 6.807 -4.493 1.00 0.00 H new ATOM 0 HD2 PHE A 67 4.123 8.031 -4.110 1.00 0.00 H new ATOM 0 HE1 PHE A 67 0.645 4.594 -3.617 1.00 0.00 H new ATOM 0 HE2 PHE A 67 4.706 5.815 -3.225 1.00 0.00 H new ATOM 0 HZ PHE A 67 2.964 4.092 -2.980 1.00 0.00 H new ATOM 1044 N GLU A 68 2.646 11.470 -3.569 1.00 0.00 N ATOM 1045 CA GLU A 68 3.664 12.239 -2.859 1.00 0.00 C ATOM 1046 C GLU A 68 3.231 12.600 -1.438 1.00 0.00 C ATOM 1047 O GLU A 68 3.976 12.383 -0.489 1.00 0.00 O ATOM 1048 CB GLU A 68 3.986 13.515 -3.634 1.00 0.00 C ATOM 1049 CG GLU A 68 4.838 13.281 -4.870 1.00 0.00 C ATOM 1050 CD GLU A 68 6.198 13.946 -4.776 1.00 0.00 C ATOM 1051 OE1 GLU A 68 7.131 13.318 -4.235 1.00 0.00 O ATOM 1052 OE2 GLU A 68 6.328 15.097 -5.244 1.00 0.00 O ATOM 0 H GLU A 68 2.521 11.746 -4.543 1.00 0.00 H new ATOM 0 HA GLU A 68 4.552 11.611 -2.785 1.00 0.00 H new ATOM 0 HB2 GLU A 68 3.053 13.994 -3.932 1.00 0.00 H new ATOM 0 HB3 GLU A 68 4.504 14.210 -2.973 1.00 0.00 H new ATOM 0 HG2 GLU A 68 4.971 12.209 -5.017 1.00 0.00 H new ATOM 0 HG3 GLU A 68 4.312 13.660 -5.746 1.00 0.00 H new ATOM 1059 N GLN A 69 2.031 13.155 -1.304 1.00 0.00 N ATOM 1060 CA GLN A 69 1.511 13.556 0.004 1.00 0.00 C ATOM 1061 C GLN A 69 1.455 12.380 0.974 1.00 0.00 C ATOM 1062 O GLN A 69 2.081 12.404 2.035 1.00 0.00 O ATOM 1063 CB GLN A 69 0.120 14.171 -0.145 1.00 0.00 C ATOM 1064 CG GLN A 69 0.136 15.555 -0.770 1.00 0.00 C ATOM 1065 CD GLN A 69 -0.911 16.475 -0.173 1.00 0.00 C ATOM 1066 OE1 GLN A 69 -0.717 17.038 0.904 1.00 0.00 O ATOM 1067 NE2 GLN A 69 -2.028 16.633 -0.873 1.00 0.00 N ATOM 0 H GLN A 69 1.399 13.338 -2.083 1.00 0.00 H new ATOM 0 HA GLN A 69 2.195 14.299 0.415 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -0.497 13.512 -0.756 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -0.350 14.229 0.837 1.00 0.00 H new ATOM 0 HG2 GLN A 69 1.123 15.999 -0.637 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.032 15.467 -1.843 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -2.146 16.146 -1.762 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -2.768 17.241 -0.522 1.00 0.00 H new ATOM 1076 N HIS A 70 0.693 11.358 0.608 1.00 0.00 N ATOM 1077 CA HIS A 70 0.547 10.181 1.458 1.00 0.00 C ATOM 1078 C HIS A 70 1.894 9.489 1.629 1.00 0.00 C ATOM 1079 O HIS A 70 2.320 9.193 2.747 1.00 0.00 O ATOM 1080 CB HIS A 70 -0.466 9.208 0.851 1.00 0.00 C ATOM 1081 CG HIS A 70 -1.862 9.404 1.354 1.00 0.00 C ATOM 1082 ND1 HIS A 70 -2.273 9.009 2.609 1.00 0.00 N ATOM 1083 CD2 HIS A 70 -2.949 9.953 0.761 1.00 0.00 C ATOM 1084 CE1 HIS A 70 -3.549 9.304 2.769 1.00 0.00 C ATOM 1085 NE2 HIS A 70 -3.984 9.880 1.661 1.00 0.00 N ATOM 0 H HIS A 70 0.169 11.318 -0.266 1.00 0.00 H new ATOM 0 HA HIS A 70 0.184 10.500 2.435 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -0.460 9.321 -0.233 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -0.151 8.187 1.067 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -2.994 10.370 -0.234 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -4.137 9.109 3.653 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -4.934 10.216 1.501 1.00 0.00 H new ATOM 1093 N TYR A 71 2.555 9.232 0.512 1.00 0.00 N ATOM 1094 CA TYR A 71 3.853 8.573 0.512 1.00 0.00 C ATOM 1095 C TYR A 71 4.938 9.460 1.143 1.00 0.00 C ATOM 1096 O TYR A 71 6.040 8.990 1.427 1.00 0.00 O ATOM 1097 CB TYR A 71 4.217 8.189 -0.930 1.00 0.00 C ATOM 1098 CG TYR A 71 5.697 8.091 -1.209 1.00 0.00 C ATOM 1099 CD1 TYR A 71 6.490 7.179 -0.534 1.00 0.00 C ATOM 1100 CD2 TYR A 71 6.296 8.910 -2.156 1.00 0.00 C ATOM 1101 CE1 TYR A 71 7.841 7.085 -0.789 1.00 0.00 C ATOM 1102 CE2 TYR A 71 7.648 8.823 -2.418 1.00 0.00 C ATOM 1103 CZ TYR A 71 8.418 7.909 -1.732 1.00 0.00 C ATOM 1104 OH TYR A 71 9.767 7.818 -1.989 1.00 0.00 O ATOM 0 H TYR A 71 2.210 9.473 -0.417 1.00 0.00 H new ATOM 0 HA TYR A 71 3.794 7.672 1.122 1.00 0.00 H new ATOM 0 HB2 TYR A 71 3.754 7.230 -1.163 1.00 0.00 H new ATOM 0 HB3 TYR A 71 3.783 8.925 -1.607 1.00 0.00 H new ATOM 0 HD1 TYR A 71 6.043 6.530 0.205 1.00 0.00 H new ATOM 0 HD2 TYR A 71 5.695 9.626 -2.696 1.00 0.00 H new ATOM 0 HE1 TYR A 71 8.445 6.369 -0.252 1.00 0.00 H new ATOM 0 HE2 TYR A 71 8.100 9.468 -3.157 1.00 0.00 H new ATOM 0 HH TYR A 71 10.013 8.467 -2.681 1.00 0.00 H new ATOM 1114 N LYS A 72 4.629 10.739 1.365 1.00 0.00 N ATOM 1115 CA LYS A 72 5.592 11.665 1.962 1.00 0.00 C ATOM 1116 C LYS A 72 5.903 11.279 3.404 1.00 0.00 C ATOM 1117 O LYS A 72 7.034 10.923 3.732 1.00 0.00 O ATOM 1118 CB LYS A 72 5.061 13.101 1.921 1.00 0.00 C ATOM 1119 CG LYS A 72 6.019 14.125 2.506 1.00 0.00 C ATOM 1120 CD LYS A 72 5.338 15.470 2.694 1.00 0.00 C ATOM 1121 CE LYS A 72 5.500 16.355 1.467 1.00 0.00 C ATOM 1122 NZ LYS A 72 5.535 17.803 1.822 1.00 0.00 N ATOM 0 H LYS A 72 3.725 11.155 1.142 1.00 0.00 H new ATOM 0 HA LYS A 72 6.510 11.606 1.377 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.844 13.369 0.887 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.118 13.146 2.466 1.00 0.00 H new ATOM 0 HG2 LYS A 72 6.396 13.768 3.464 1.00 0.00 H new ATOM 0 HG3 LYS A 72 6.880 14.239 1.847 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.278 15.317 2.896 1.00 0.00 H new ATOM 0 HD3 LYS A 72 5.759 15.973 3.565 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.419 16.087 0.946 1.00 0.00 H new ATOM 0 HE3 LYS A 72 4.677 16.171 0.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 5.646 18.370 0.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 4.647 18.066 2.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 6.336 17.985 2.461 1.00 0.00 H new ATOM 1136 N GLU A 73 4.894 11.359 4.265 1.00 0.00 N ATOM 1137 CA GLU A 73 5.070 11.025 5.674 1.00 0.00 C ATOM 1138 C GLU A 73 5.712 9.648 5.826 1.00 0.00 C ATOM 1139 O GLU A 73 6.543 9.429 6.711 1.00 0.00 O ATOM 1140 CB GLU A 73 3.722 11.066 6.404 1.00 0.00 C ATOM 1141 CG GLU A 73 3.591 12.233 7.373 1.00 0.00 C ATOM 1142 CD GLU A 73 2.282 12.983 7.214 1.00 0.00 C ATOM 1143 OE1 GLU A 73 1.319 12.392 6.684 1.00 0.00 O ATOM 1144 OE2 GLU A 73 2.222 14.163 7.621 1.00 0.00 O ATOM 0 H GLU A 73 3.950 11.651 4.014 1.00 0.00 H new ATOM 0 HA GLU A 73 5.734 11.765 6.121 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.921 11.124 5.667 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.585 10.133 6.951 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.670 11.862 8.395 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.421 12.923 7.219 1.00 0.00 H new ATOM 1151 N ALA A 74 5.342 8.724 4.946 1.00 0.00 N ATOM 1152 CA ALA A 74 5.902 7.382 4.986 1.00 0.00 C ATOM 1153 C ALA A 74 7.316 7.370 4.420 1.00 0.00 C ATOM 1154 O ALA A 74 8.149 6.561 4.828 1.00 0.00 O ATOM 1155 CB ALA A 74 5.020 6.409 4.230 1.00 0.00 C ATOM 0 H ALA A 74 4.662 8.880 4.202 1.00 0.00 H new ATOM 0 HA ALA A 74 5.947 7.066 6.028 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.458 5.412 4.273 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.028 6.390 4.682 1.00 0.00 H new ATOM 0 HB3 ALA A 74 4.938 6.725 3.190 1.00 0.00 H new ATOM 1161 N SER A 75 7.588 8.278 3.483 1.00 0.00 N ATOM 1162 CA SER A 75 8.911 8.367 2.878 1.00 0.00 C ATOM 1163 C SER A 75 9.959 8.572 3.966 1.00 0.00 C ATOM 1164 O SER A 75 10.911 7.808 4.079 1.00 0.00 O ATOM 1165 CB SER A 75 8.972 9.514 1.867 1.00 0.00 C ATOM 1166 OG SER A 75 10.293 9.705 1.393 1.00 0.00 O ATOM 0 H SER A 75 6.913 8.957 3.130 1.00 0.00 H new ATOM 0 HA SER A 75 9.115 7.436 2.349 1.00 0.00 H new ATOM 0 HB2 SER A 75 8.309 9.300 1.029 1.00 0.00 H new ATOM 0 HB3 SER A 75 8.613 10.432 2.332 1.00 0.00 H new ATOM 0 HG SER A 75 10.306 10.442 0.747 1.00 0.00 H new ATOM 1172 N ALA A 76 9.768 9.611 4.772 1.00 0.00 N ATOM 1173 CA ALA A 76 10.689 9.906 5.863 1.00 0.00 C ATOM 1174 C ALA A 76 10.989 8.633 6.653 1.00 0.00 C ATOM 1175 O ALA A 76 12.134 8.370 7.025 1.00 0.00 O ATOM 1176 CB ALA A 76 10.102 10.973 6.772 1.00 0.00 C ATOM 0 H ALA A 76 8.986 10.261 4.691 1.00 0.00 H new ATOM 0 HA ALA A 76 11.622 10.285 5.446 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.799 11.184 7.583 1.00 0.00 H new ATOM 0 HB2 ALA A 76 9.926 11.883 6.198 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.159 10.618 7.188 1.00 0.00 H new ATOM 1182 N ALA A 77 9.946 7.836 6.876 1.00 0.00 N ATOM 1183 CA ALA A 77 10.082 6.569 7.591 1.00 0.00 C ATOM 1184 C ALA A 77 10.822 5.548 6.729 1.00 0.00 C ATOM 1185 O ALA A 77 11.502 4.656 7.238 1.00 0.00 O ATOM 1186 CB ALA A 77 8.714 6.037 7.986 1.00 0.00 C ATOM 0 H ALA A 77 8.996 8.046 6.571 1.00 0.00 H new ATOM 0 HA ALA A 77 10.663 6.742 8.497 1.00 0.00 H new ATOM 0 HB1 ALA A 77 8.831 5.093 8.518 1.00 0.00 H new ATOM 0 HB2 ALA A 77 8.216 6.759 8.633 1.00 0.00 H new ATOM 0 HB3 ALA A 77 8.113 5.877 7.091 1.00 0.00 H new ATOM 1192 N TYR A 78 10.687 5.705 5.415 1.00 0.00 N ATOM 1193 CA TYR A 78 11.342 4.829 4.449 1.00 0.00 C ATOM 1194 C TYR A 78 12.818 4.672 4.795 1.00 0.00 C ATOM 1195 O TYR A 78 13.314 3.562 4.983 1.00 0.00 O ATOM 1196 CB TYR A 78 11.199 5.420 3.037 1.00 0.00 C ATOM 1197 CG TYR A 78 11.473 4.452 1.902 1.00 0.00 C ATOM 1198 CD1 TYR A 78 12.360 3.396 2.051 1.00 0.00 C ATOM 1199 CD2 TYR A 78 10.843 4.606 0.671 1.00 0.00 C ATOM 1200 CE1 TYR A 78 12.608 2.523 1.016 1.00 0.00 C ATOM 1201 CE2 TYR A 78 11.089 3.732 -0.372 1.00 0.00 C ATOM 1202 CZ TYR A 78 11.972 2.691 -0.193 1.00 0.00 C ATOM 1203 OH TYR A 78 12.223 1.818 -1.225 1.00 0.00 O ATOM 0 H TYR A 78 10.122 6.441 4.991 1.00 0.00 H new ATOM 0 HA TYR A 78 10.868 3.848 4.482 1.00 0.00 H new ATOM 0 HB2 TYR A 78 10.188 5.810 2.924 1.00 0.00 H new ATOM 0 HB3 TYR A 78 11.879 6.266 2.944 1.00 0.00 H new ATOM 0 HD1 TYR A 78 12.865 3.256 2.995 1.00 0.00 H new ATOM 0 HD2 TYR A 78 10.150 5.422 0.528 1.00 0.00 H new ATOM 0 HE1 TYR A 78 13.301 1.706 1.153 1.00 0.00 H new ATOM 0 HE2 TYR A 78 10.591 3.865 -1.321 1.00 0.00 H new ATOM 0 HH TYR A 78 11.693 2.076 -2.008 1.00 0.00 H new ATOM 1213 N GLU A 79 13.509 5.799 4.873 1.00 0.00 N ATOM 1214 CA GLU A 79 14.933 5.812 5.183 1.00 0.00 C ATOM 1215 C GLU A 79 15.213 5.286 6.587 1.00 0.00 C ATOM 1216 O GLU A 79 16.135 4.497 6.788 1.00 0.00 O ATOM 1217 CB GLU A 79 15.478 7.233 5.036 1.00 0.00 C ATOM 1218 CG GLU A 79 16.152 7.486 3.698 1.00 0.00 C ATOM 1219 CD GLU A 79 16.685 8.900 3.575 1.00 0.00 C ATOM 1220 OE1 GLU A 79 16.022 9.829 4.083 1.00 0.00 O ATOM 1221 OE2 GLU A 79 17.763 9.077 2.973 1.00 0.00 O ATOM 0 H GLU A 79 13.104 6.723 4.725 1.00 0.00 H new ATOM 0 HA GLU A 79 15.436 5.149 4.479 1.00 0.00 H new ATOM 0 HB2 GLU A 79 14.660 7.943 5.162 1.00 0.00 H new ATOM 0 HB3 GLU A 79 16.193 7.425 5.836 1.00 0.00 H new ATOM 0 HG2 GLU A 79 16.972 6.780 3.568 1.00 0.00 H new ATOM 0 HG3 GLU A 79 15.440 7.298 2.895 1.00 0.00 H new ATOM 1228 N SER A 80 14.424 5.729 7.560 1.00 0.00 N ATOM 1229 CA SER A 80 14.611 5.303 8.937 1.00 0.00 C ATOM 1230 C SER A 80 14.506 3.788 9.067 1.00 0.00 C ATOM 1231 O SER A 80 15.354 3.152 9.691 1.00 0.00 O ATOM 1232 CB SER A 80 13.587 5.978 9.851 1.00 0.00 C ATOM 1233 OG SER A 80 13.591 7.383 9.670 1.00 0.00 O ATOM 0 H SER A 80 13.652 6.381 7.419 1.00 0.00 H new ATOM 0 HA SER A 80 15.613 5.603 9.243 1.00 0.00 H new ATOM 0 HB2 SER A 80 12.592 5.584 9.642 1.00 0.00 H new ATOM 0 HB3 SER A 80 13.811 5.741 10.891 1.00 0.00 H new ATOM 0 HG SER A 80 13.059 7.613 8.879 1.00 0.00 H new ATOM 1239 N PHE A 81 13.462 3.218 8.476 1.00 0.00 N ATOM 1240 CA PHE A 81 13.245 1.777 8.528 1.00 0.00 C ATOM 1241 C PHE A 81 14.311 1.032 7.731 1.00 0.00 C ATOM 1242 O PHE A 81 14.976 0.133 8.248 1.00 0.00 O ATOM 1243 CB PHE A 81 11.860 1.430 7.975 1.00 0.00 C ATOM 1244 CG PHE A 81 10.767 1.471 9.003 1.00 0.00 C ATOM 1245 CD1 PHE A 81 10.659 0.476 9.961 1.00 0.00 C ATOM 1246 CD2 PHE A 81 9.845 2.504 9.008 1.00 0.00 C ATOM 1247 CE1 PHE A 81 9.651 0.512 10.907 1.00 0.00 C ATOM 1248 CE2 PHE A 81 8.835 2.547 9.951 1.00 0.00 C ATOM 1249 CZ PHE A 81 8.738 1.550 10.902 1.00 0.00 C ATOM 0 H PHE A 81 12.752 3.732 7.955 1.00 0.00 H new ATOM 0 HA PHE A 81 13.310 1.467 9.571 1.00 0.00 H new ATOM 0 HB2 PHE A 81 11.616 2.125 7.171 1.00 0.00 H new ATOM 0 HB3 PHE A 81 11.894 0.433 7.535 1.00 0.00 H new ATOM 0 HD1 PHE A 81 11.370 -0.337 9.969 1.00 0.00 H new ATOM 0 HD2 PHE A 81 9.916 3.286 8.266 1.00 0.00 H new ATOM 0 HE1 PHE A 81 9.577 -0.270 11.649 1.00 0.00 H new ATOM 0 HE2 PHE A 81 8.123 3.359 9.944 1.00 0.00 H new ATOM 0 HZ PHE A 81 7.950 1.581 11.640 1.00 0.00 H new ATOM 1259 N LYS A 82 14.454 1.403 6.465 1.00 0.00 N ATOM 1260 CA LYS A 82 15.422 0.767 5.580 1.00 0.00 C ATOM 1261 C LYS A 82 16.844 0.856 6.130 1.00 0.00 C ATOM 1262 O LYS A 82 17.537 -0.154 6.233 1.00 0.00 O ATOM 1263 CB LYS A 82 15.358 1.395 4.193 1.00 0.00 C ATOM 1264 CG LYS A 82 14.465 0.624 3.240 1.00 0.00 C ATOM 1265 CD LYS A 82 15.280 -0.125 2.193 1.00 0.00 C ATOM 1266 CE LYS A 82 15.739 0.794 1.070 1.00 0.00 C ATOM 1267 NZ LYS A 82 17.177 1.161 1.199 1.00 0.00 N ATOM 0 H LYS A 82 13.909 2.145 6.026 1.00 0.00 H new ATOM 0 HA LYS A 82 15.160 -0.289 5.514 1.00 0.00 H new ATOM 0 HB2 LYS A 82 14.992 2.418 4.279 1.00 0.00 H new ATOM 0 HB3 LYS A 82 16.364 1.450 3.777 1.00 0.00 H new ATOM 0 HG2 LYS A 82 13.856 -0.083 3.803 1.00 0.00 H new ATOM 0 HG3 LYS A 82 13.780 1.312 2.745 1.00 0.00 H new ATOM 0 HD2 LYS A 82 16.149 -0.582 2.667 1.00 0.00 H new ATOM 0 HD3 LYS A 82 14.681 -0.935 1.778 1.00 0.00 H new ATOM 0 HE2 LYS A 82 15.575 0.303 0.111 1.00 0.00 H new ATOM 0 HE3 LYS A 82 15.132 1.700 1.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 17.545 1.455 0.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 17.276 1.945 1.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 17.716 0.339 1.540 1.00 0.00 H new ATOM 1281 N LYS A 83 17.279 2.066 6.474 1.00 0.00 N ATOM 1282 CA LYS A 83 18.628 2.267 7.001 1.00 0.00 C ATOM 1283 C LYS A 83 18.771 1.715 8.421 1.00 0.00 C ATOM 1284 O LYS A 83 19.869 1.705 8.979 1.00 0.00 O ATOM 1285 CB LYS A 83 19.000 3.752 6.977 1.00 0.00 C ATOM 1286 CG LYS A 83 19.270 4.285 5.577 1.00 0.00 C ATOM 1287 CD LYS A 83 20.650 4.921 5.467 1.00 0.00 C ATOM 1288 CE LYS A 83 20.720 5.889 4.296 1.00 0.00 C ATOM 1289 NZ LYS A 83 22.108 6.375 4.048 1.00 0.00 N ATOM 0 H LYS A 83 16.722 2.917 6.398 1.00 0.00 H new ATOM 0 HA LYS A 83 19.313 1.716 6.356 1.00 0.00 H new ATOM 0 HB2 LYS A 83 18.192 4.329 7.428 1.00 0.00 H new ATOM 0 HB3 LYS A 83 19.885 3.907 7.594 1.00 0.00 H new ATOM 0 HG2 LYS A 83 19.187 3.471 4.857 1.00 0.00 H new ATOM 0 HG3 LYS A 83 18.509 5.021 5.316 1.00 0.00 H new ATOM 0 HD2 LYS A 83 20.885 5.448 6.392 1.00 0.00 H new ATOM 0 HD3 LYS A 83 21.403 4.143 5.344 1.00 0.00 H new ATOM 0 HE2 LYS A 83 20.343 5.399 3.399 1.00 0.00 H new ATOM 0 HE3 LYS A 83 20.068 6.741 4.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 22.107 7.032 3.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 22.460 6.866 4.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 22.726 5.566 3.835 1.00 0.00 H new ATOM 1303 N GLU A 84 17.667 1.252 9.004 1.00 0.00 N ATOM 1304 CA GLU A 84 17.697 0.700 10.354 1.00 0.00 C ATOM 1305 C GLU A 84 18.401 -0.651 10.369 1.00 0.00 C ATOM 1306 O GLU A 84 19.132 -0.972 11.306 1.00 0.00 O ATOM 1307 CB GLU A 84 16.278 0.545 10.901 1.00 0.00 C ATOM 1308 CG GLU A 84 16.149 0.917 12.369 1.00 0.00 C ATOM 1309 CD GLU A 84 16.166 -0.296 13.277 1.00 0.00 C ATOM 1310 OE1 GLU A 84 17.233 -0.934 13.395 1.00 0.00 O ATOM 1311 OE2 GLU A 84 15.112 -0.608 13.869 1.00 0.00 O ATOM 0 H GLU A 84 16.746 1.248 8.565 1.00 0.00 H new ATOM 0 HA GLU A 84 18.250 1.393 10.988 1.00 0.00 H new ATOM 0 HB2 GLU A 84 15.602 1.168 10.316 1.00 0.00 H new ATOM 0 HB3 GLU A 84 15.956 -0.488 10.767 1.00 0.00 H new ATOM 0 HG2 GLU A 84 16.965 1.585 12.645 1.00 0.00 H new ATOM 0 HG3 GLU A 84 15.221 1.468 12.521 1.00 0.00 H new ATOM 1318 N GLN A 85 18.174 -1.440 9.322 1.00 0.00 N ATOM 1319 CA GLN A 85 18.784 -2.759 9.213 1.00 0.00 C ATOM 1320 C GLN A 85 20.141 -2.686 8.519 1.00 0.00 C ATOM 1321 O GLN A 85 20.523 -3.599 7.786 1.00 0.00 O ATOM 1322 CB GLN A 85 17.864 -3.713 8.452 1.00 0.00 C ATOM 1323 CG GLN A 85 17.425 -3.186 7.095 1.00 0.00 C ATOM 1324 CD GLN A 85 17.936 -4.033 5.946 1.00 0.00 C ATOM 1325 OE1 GLN A 85 18.947 -4.723 6.070 1.00 0.00 O ATOM 1326 NE2 GLN A 85 17.239 -3.981 4.817 1.00 0.00 N ATOM 0 H GLN A 85 17.572 -1.188 8.538 1.00 0.00 H new ATOM 0 HA GLN A 85 18.935 -3.137 10.224 1.00 0.00 H new ATOM 0 HB2 GLN A 85 18.377 -4.665 8.314 1.00 0.00 H new ATOM 0 HB3 GLN A 85 16.980 -3.912 9.058 1.00 0.00 H new ATOM 0 HG2 GLN A 85 16.336 -3.150 7.059 1.00 0.00 H new ATOM 0 HG3 GLN A 85 17.782 -2.163 6.974 1.00 0.00 H new ATOM 0 HE21 GLN A 85 16.406 -3.395 4.758 1.00 0.00 H new ATOM 0 HE22 GLN A 85 17.536 -4.527 4.008 1.00 0.00 H new ATOM 1335 N GLU A 86 20.872 -1.606 8.768 1.00 0.00 N ATOM 1336 CA GLU A 86 22.194 -1.426 8.182 1.00 0.00 C ATOM 1337 C GLU A 86 23.270 -1.981 9.115 1.00 0.00 C ATOM 1338 O GLU A 86 24.437 -1.601 9.028 1.00 0.00 O ATOM 1339 CB GLU A 86 22.456 0.055 7.900 1.00 0.00 C ATOM 1340 CG GLU A 86 22.329 0.429 6.432 1.00 0.00 C ATOM 1341 CD GLU A 86 23.621 0.226 5.666 1.00 0.00 C ATOM 1342 OE1 GLU A 86 24.107 -0.924 5.615 1.00 0.00 O ATOM 1343 OE2 GLU A 86 24.148 1.215 5.116 1.00 0.00 O ATOM 0 H GLU A 86 20.571 -0.841 9.372 1.00 0.00 H new ATOM 0 HA GLU A 86 22.230 -1.973 7.240 1.00 0.00 H new ATOM 0 HB2 GLU A 86 21.756 0.656 8.481 1.00 0.00 H new ATOM 0 HB3 GLU A 86 23.458 0.310 8.245 1.00 0.00 H new ATOM 0 HG2 GLU A 86 21.542 -0.170 5.975 1.00 0.00 H new ATOM 0 HG3 GLU A 86 22.023 1.472 6.352 1.00 0.00 H new ATOM 1350 N GLN A 87 22.864 -2.879 10.011 1.00 0.00 N ATOM 1351 CA GLN A 87 23.784 -3.487 10.964 1.00 0.00 C ATOM 1352 C GLN A 87 24.423 -4.742 10.378 1.00 0.00 C ATOM 1353 O GLN A 87 25.638 -4.925 10.456 1.00 0.00 O ATOM 1354 CB GLN A 87 23.056 -3.824 12.271 1.00 0.00 C ATOM 1355 CG GLN A 87 21.835 -4.714 12.091 1.00 0.00 C ATOM 1356 CD GLN A 87 20.811 -4.528 13.195 1.00 0.00 C ATOM 1357 OE1 GLN A 87 20.579 -3.411 13.659 1.00 0.00 O ATOM 1358 NE2 GLN A 87 20.192 -5.623 13.622 1.00 0.00 N ATOM 0 H GLN A 87 21.900 -3.201 10.095 1.00 0.00 H new ATOM 0 HA GLN A 87 24.574 -2.768 11.178 1.00 0.00 H new ATOM 0 HB2 GLN A 87 23.755 -4.317 12.947 1.00 0.00 H new ATOM 0 HB3 GLN A 87 22.748 -2.896 12.752 1.00 0.00 H new ATOM 0 HG2 GLN A 87 21.370 -4.497 11.129 1.00 0.00 H new ATOM 0 HG3 GLN A 87 22.151 -5.757 12.065 1.00 0.00 H new ATOM 0 HE21 GLN A 87 20.415 -6.529 13.209 1.00 0.00 H new ATOM 0 HE22 GLN A 87 19.494 -5.558 14.363 1.00 0.00 H new ATOM 1367 N GLN A 88 23.599 -5.600 9.785 1.00 0.00 N ATOM 1368 CA GLN A 88 24.090 -6.832 9.180 1.00 0.00 C ATOM 1369 C GLN A 88 24.702 -6.551 7.809 1.00 0.00 C ATOM 1370 O GLN A 88 24.241 -7.067 6.791 1.00 0.00 O ATOM 1371 CB GLN A 88 22.951 -7.849 9.056 1.00 0.00 C ATOM 1372 CG GLN A 88 23.014 -8.961 10.089 1.00 0.00 C ATOM 1373 CD GLN A 88 23.747 -10.186 9.579 1.00 0.00 C ATOM 1374 OE1 GLN A 88 24.255 -10.198 8.457 1.00 0.00 O ATOM 1375 NE2 GLN A 88 23.806 -11.227 10.402 1.00 0.00 N ATOM 0 H GLN A 88 22.591 -5.465 9.711 1.00 0.00 H new ATOM 0 HA GLN A 88 24.865 -7.249 9.823 1.00 0.00 H new ATOM 0 HB2 GLN A 88 21.998 -7.328 9.152 1.00 0.00 H new ATOM 0 HB3 GLN A 88 22.975 -8.289 8.059 1.00 0.00 H new ATOM 0 HG2 GLN A 88 23.511 -8.592 10.986 1.00 0.00 H new ATOM 0 HG3 GLN A 88 22.001 -9.242 10.378 1.00 0.00 H new ATOM 0 HE21 GLN A 88 23.371 -11.174 11.323 1.00 0.00 H new ATOM 0 HE22 GLN A 88 24.286 -12.079 10.113 1.00 0.00 H new ATOM 1384 N THR A 89 25.742 -5.725 7.792 1.00 0.00 N ATOM 1385 CA THR A 89 26.416 -5.370 6.550 1.00 0.00 C ATOM 1386 C THR A 89 27.837 -5.924 6.524 1.00 0.00 C ATOM 1387 O THR A 89 28.775 -5.278 6.990 1.00 0.00 O ATOM 1388 CB THR A 89 26.444 -3.851 6.376 1.00 0.00 C ATOM 1389 OG1 THR A 89 25.339 -3.252 7.032 1.00 0.00 O ATOM 1390 CG2 THR A 89 26.409 -3.415 4.928 1.00 0.00 C ATOM 0 H THR A 89 26.137 -5.289 8.625 1.00 0.00 H new ATOM 0 HA THR A 89 25.858 -5.812 5.724 1.00 0.00 H new ATOM 0 HB THR A 89 27.388 -3.526 6.814 1.00 0.00 H new ATOM 0 HG1 THR A 89 25.007 -2.502 6.495 1.00 0.00 H new ATOM 0 HG21 THR A 89 26.431 -2.327 4.875 1.00 0.00 H new ATOM 0 HG22 THR A 89 27.274 -3.821 4.405 1.00 0.00 H new ATOM 0 HG23 THR A 89 25.496 -3.782 4.459 1.00 0.00 H new ATOM 1398 N GLU A 90 27.987 -7.125 5.976 1.00 0.00 N ATOM 1399 CA GLU A 90 29.292 -7.769 5.888 1.00 0.00 C ATOM 1400 C GLU A 90 30.074 -7.254 4.683 1.00 0.00 C ATOM 1401 O GLU A 90 29.541 -6.514 3.854 1.00 0.00 O ATOM 1402 CB GLU A 90 29.125 -9.287 5.792 1.00 0.00 C ATOM 1403 CG GLU A 90 30.232 -10.074 6.477 1.00 0.00 C ATOM 1404 CD GLU A 90 29.918 -10.389 7.926 1.00 0.00 C ATOM 1405 OE1 GLU A 90 29.688 -9.438 8.703 1.00 0.00 O ATOM 1406 OE2 GLU A 90 29.905 -11.585 8.285 1.00 0.00 O ATOM 0 H GLU A 90 27.220 -7.672 5.586 1.00 0.00 H new ATOM 0 HA GLU A 90 29.853 -7.526 6.791 1.00 0.00 H new ATOM 0 HB2 GLU A 90 28.168 -9.566 6.233 1.00 0.00 H new ATOM 0 HB3 GLU A 90 29.087 -9.573 4.741 1.00 0.00 H new ATOM 0 HG2 GLU A 90 30.398 -11.005 5.935 1.00 0.00 H new ATOM 0 HG3 GLU A 90 31.161 -9.505 6.426 1.00 0.00 H new ATOM 1413 N GLN A 91 31.339 -7.647 4.594 1.00 0.00 N ATOM 1414 CA GLN A 91 32.199 -7.230 3.494 1.00 0.00 C ATOM 1415 C GLN A 91 32.166 -8.253 2.362 1.00 0.00 C ATOM 1416 O GLN A 91 32.350 -7.906 1.196 1.00 0.00 O ATOM 1417 CB GLN A 91 33.638 -7.047 3.985 1.00 0.00 C ATOM 1418 CG GLN A 91 33.746 -6.327 5.321 1.00 0.00 C ATOM 1419 CD GLN A 91 34.876 -6.860 6.180 1.00 0.00 C ATOM 1420 OE1 GLN A 91 35.710 -6.099 6.671 1.00 0.00 O ATOM 1421 NE2 GLN A 91 34.909 -8.175 6.367 1.00 0.00 N ATOM 0 H GLN A 91 31.793 -8.257 5.274 1.00 0.00 H new ATOM 0 HA GLN A 91 31.826 -6.279 3.115 1.00 0.00 H new ATOM 0 HB2 GLN A 91 34.109 -8.026 4.072 1.00 0.00 H new ATOM 0 HB3 GLN A 91 34.199 -6.488 3.236 1.00 0.00 H new ATOM 0 HG2 GLN A 91 33.900 -5.262 5.145 1.00 0.00 H new ATOM 0 HG3 GLN A 91 32.805 -6.428 5.861 1.00 0.00 H new ATOM 0 HE21 GLN A 91 34.197 -8.769 5.941 1.00 0.00 H new ATOM 0 HE22 GLN A 91 35.646 -8.591 6.937 1.00 0.00 H new ATOM 1430 N ALA A 92 31.931 -9.514 2.713 1.00 0.00 N ATOM 1431 CA ALA A 92 31.875 -10.583 1.723 1.00 0.00 C ATOM 1432 C ALA A 92 30.585 -10.515 0.913 1.00 0.00 C ATOM 1433 O ALA A 92 30.672 -10.443 -0.330 1.00 0.00 O ATOM 1434 CB ALA A 92 32.006 -11.940 2.399 1.00 0.00 C ATOM 1435 OXT ALA A 92 29.499 -10.537 1.530 1.00 0.00 O ATOM 0 H ALA A 92 31.777 -9.820 3.674 1.00 0.00 H new ATOM 0 HA ALA A 92 32.711 -10.451 1.037 1.00 0.00 H new ATOM 0 HB1 ALA A 92 31.962 -12.727 1.646 1.00 0.00 H new ATOM 0 HB2 ALA A 92 32.959 -11.994 2.925 1.00 0.00 H new ATOM 0 HB3 ALA A 92 31.191 -12.072 3.110 1.00 0.00 H new TER 1441 ALA A 92