USER MOD reduce.3.24.130724 H: found=0, std=0, add=976, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 971 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 102 GLN : amide:sc= 1.08 K(o=2.3,f=-0.73) USER MOD Set 1.2: A 111 SER OG : rot -125:sc= 1.23 USER MOD Set 2.1: A 65 CYS SG : rot 180:sc= -1.42 USER MOD Set 2.2: A 70 THR OG1 : rot -160:sc= -0.554 USER MOD Set 2.3: A 106 MET CE :methyl 148:sc= -0.24 (180deg=-0.832) USER MOD Set 3.1: A 61 THR OG1 : rot 93:sc= 0.797 USER MOD Set 3.2: A 62 HIS : no HD1:sc= 0.566 K(o=-3.4,f=-16!) USER MOD Set 3.3: A 101 SER OG : rot -142:sc= -4.74! USER MOD Set 4.1: A 57 THR OG1 : rot 170:sc= 0.348 USER MOD Set 4.2: A 60 SER OG : rot 65:sc= 0.375 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 25:sc= 0.951 USER MOD Single : A 3 SER OG : rot 25:sc= 1.24 USER MOD Single : A 5 SER OG : rot 50:sc= 1.24 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -0.424 K(o=-0.42,f=-1.3) USER MOD Single : A 31 SER OG : rot 32:sc= 0.244 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 35 ASN : amide:sc= -1.41! C(o=-1.4!,f=-4.5!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -142:sc= -0.0935 (180deg=-2.11!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.166 X(o=-0.17,f=-0.029) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= -0.476 (180deg=-0.476) USER MOD Single : A 73 TYR OH : rot 30:sc= -0.811 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 86 LYS NZ :NH3+ -116:sc= 0.00397 (180deg=-0.0833) USER MOD Single : A 92 CYS SG : rot 81:sc= 0.329 USER MOD Single : A 93 HIS : no HE2:sc= -2.04! C(o=-2!,f=-3.7!) USER MOD Single : A 95 MET CE :methyl 156:sc= -0.0596 (180deg=-0.65) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot -56:sc= 0.17 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 120 HIS : no HD1:sc= 0 X(o=0,f=-0.00082) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.793 41.581 -31.884 1.00 0.00 N ATOM 2 CA GLY A 1 10.341 42.670 -31.038 1.00 0.00 C ATOM 3 C GLY A 1 9.234 42.249 -30.093 1.00 0.00 C ATOM 4 O GLY A 1 8.084 42.661 -30.250 1.00 0.00 O ATOM 0 H1 GLY A 1 11.550 41.920 -32.511 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.156 40.808 -31.290 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.998 41.234 -32.457 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.183 43.050 -30.460 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.988 43.490 -31.664 1.00 0.00 H new ATOM 8 N SER A 2 9.579 41.424 -29.109 1.00 0.00 N ATOM 9 CA SER A 2 8.603 40.942 -28.138 1.00 0.00 C ATOM 10 C SER A 2 9.298 40.413 -26.887 1.00 0.00 C ATOM 11 O SER A 2 10.375 39.821 -26.965 1.00 0.00 O ATOM 12 CB SER A 2 7.736 39.843 -28.757 1.00 0.00 C ATOM 13 OG SER A 2 6.669 40.398 -29.506 1.00 0.00 O ATOM 0 H SER A 2 10.527 41.076 -28.963 1.00 0.00 H new ATOM 0 HA SER A 2 7.966 41.780 -27.853 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.348 39.212 -29.402 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.338 39.203 -27.970 1.00 0.00 H new ATOM 0 HG SER A 2 6.915 41.297 -29.808 1.00 0.00 H new ATOM 19 N SER A 3 8.673 40.631 -25.734 1.00 0.00 N ATOM 20 CA SER A 3 9.232 40.180 -24.465 1.00 0.00 C ATOM 21 C SER A 3 8.222 40.353 -23.335 1.00 0.00 C ATOM 22 O SER A 3 7.227 41.061 -23.480 1.00 0.00 O ATOM 23 CB SER A 3 10.512 40.954 -24.144 1.00 0.00 C ATOM 24 OG SER A 3 11.644 40.334 -24.730 1.00 0.00 O ATOM 0 H SER A 3 7.780 41.117 -25.653 1.00 0.00 H new ATOM 0 HA SER A 3 9.470 39.120 -24.557 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.424 41.977 -24.510 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.644 41.012 -23.064 1.00 0.00 H new ATOM 0 HG SER A 3 11.363 39.811 -25.510 1.00 0.00 H new ATOM 30 N GLY A 4 8.488 39.701 -22.207 1.00 0.00 N ATOM 31 CA GLY A 4 7.594 39.795 -21.068 1.00 0.00 C ATOM 32 C GLY A 4 7.072 38.441 -20.627 1.00 0.00 C ATOM 33 O GLY A 4 6.098 37.933 -21.183 1.00 0.00 O ATOM 0 H GLY A 4 9.306 39.110 -22.062 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.118 40.267 -20.237 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.753 40.440 -21.322 1.00 0.00 H new ATOM 37 N SER A 5 7.721 37.855 -19.626 1.00 0.00 N ATOM 38 CA SER A 5 7.320 36.550 -19.115 1.00 0.00 C ATOM 39 C SER A 5 8.126 36.182 -17.873 1.00 0.00 C ATOM 40 O SER A 5 9.324 35.911 -17.954 1.00 0.00 O ATOM 41 CB SER A 5 7.504 35.479 -20.192 1.00 0.00 C ATOM 42 OG SER A 5 6.331 35.336 -20.975 1.00 0.00 O ATOM 0 H SER A 5 8.527 38.264 -19.153 1.00 0.00 H new ATOM 0 HA SER A 5 6.266 36.602 -18.841 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.343 35.745 -20.834 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.751 34.526 -19.723 1.00 0.00 H new ATOM 0 HG SER A 5 6.035 36.217 -21.285 1.00 0.00 H new ATOM 48 N SER A 6 7.458 36.175 -16.723 1.00 0.00 N ATOM 49 CA SER A 6 8.112 35.845 -15.462 1.00 0.00 C ATOM 50 C SER A 6 7.086 35.692 -14.343 1.00 0.00 C ATOM 51 O SER A 6 5.988 36.241 -14.413 1.00 0.00 O ATOM 52 CB SER A 6 9.130 36.925 -15.092 1.00 0.00 C ATOM 53 OG SER A 6 9.945 36.509 -14.011 1.00 0.00 O ATOM 0 H SER A 6 6.465 36.394 -16.639 1.00 0.00 H new ATOM 0 HA SER A 6 8.632 34.895 -15.588 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.755 37.152 -15.956 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.609 37.844 -14.826 1.00 0.00 H new ATOM 0 HG SER A 6 10.588 37.216 -13.795 1.00 0.00 H new ATOM 59 N GLY A 7 7.455 34.939 -13.310 1.00 0.00 N ATOM 60 CA GLY A 7 6.557 34.726 -12.190 1.00 0.00 C ATOM 61 C GLY A 7 6.731 33.359 -11.559 1.00 0.00 C ATOM 62 O GLY A 7 5.863 32.496 -11.684 1.00 0.00 O ATOM 0 H GLY A 7 8.359 34.473 -13.229 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.731 35.495 -11.437 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.527 34.838 -12.528 1.00 0.00 H new ATOM 66 N GLU A 8 7.858 33.161 -10.882 1.00 0.00 N ATOM 67 CA GLU A 8 8.143 31.887 -10.232 1.00 0.00 C ATOM 68 C GLU A 8 8.120 32.034 -8.713 1.00 0.00 C ATOM 69 O GLU A 8 9.152 32.210 -8.066 1.00 0.00 O ATOM 70 CB GLU A 8 9.504 31.352 -10.683 1.00 0.00 C ATOM 71 CG GLU A 8 9.600 31.120 -12.182 1.00 0.00 C ATOM 72 CD GLU A 8 11.017 30.829 -12.637 1.00 0.00 C ATOM 73 OE1 GLU A 8 11.550 29.760 -12.270 1.00 0.00 O ATOM 74 OE2 GLU A 8 11.593 31.669 -13.359 1.00 0.00 O ATOM 0 H GLU A 8 8.587 33.865 -10.770 1.00 0.00 H new ATOM 0 HA GLU A 8 7.368 31.178 -10.523 1.00 0.00 H new ATOM 0 HB2 GLU A 8 10.280 32.056 -10.382 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.706 30.415 -10.165 1.00 0.00 H new ATOM 0 HG2 GLU A 8 8.955 30.286 -12.459 1.00 0.00 H new ATOM 0 HG3 GLU A 8 9.227 32.000 -12.707 1.00 0.00 H new ATOM 81 N PRO A 9 6.914 31.961 -8.130 1.00 0.00 N ATOM 82 CA PRO A 9 6.727 32.083 -6.682 1.00 0.00 C ATOM 83 C PRO A 9 7.275 30.880 -5.922 1.00 0.00 C ATOM 84 O PRO A 9 7.680 29.885 -6.525 1.00 0.00 O ATOM 85 CB PRO A 9 5.206 32.165 -6.527 1.00 0.00 C ATOM 86 CG PRO A 9 4.665 31.476 -7.731 1.00 0.00 C ATOM 87 CD PRO A 9 5.641 31.753 -8.841 1.00 0.00 C ATOM 0 HA PRO A 9 7.259 32.943 -6.274 1.00 0.00 H new ATOM 0 HB2 PRO A 9 4.875 31.678 -5.610 1.00 0.00 H new ATOM 0 HB3 PRO A 9 4.868 33.200 -6.478 1.00 0.00 H new ATOM 0 HG2 PRO A 9 4.567 30.405 -7.556 1.00 0.00 H new ATOM 0 HG3 PRO A 9 3.672 31.850 -7.982 1.00 0.00 H new ATOM 0 HD2 PRO A 9 5.702 30.919 -9.540 1.00 0.00 H new ATOM 0 HD3 PRO A 9 5.355 32.632 -9.418 1.00 0.00 H new ATOM 95 N ARG A 10 7.285 30.976 -4.597 1.00 0.00 N ATOM 96 CA ARG A 10 7.785 29.896 -3.756 1.00 0.00 C ATOM 97 C ARG A 10 7.542 30.198 -2.280 1.00 0.00 C ATOM 98 O ARG A 10 7.220 31.328 -1.913 1.00 0.00 O ATOM 99 CB ARG A 10 9.279 29.677 -4.003 1.00 0.00 C ATOM 100 CG ARG A 10 10.127 30.910 -3.737 1.00 0.00 C ATOM 101 CD ARG A 10 10.529 31.004 -2.274 1.00 0.00 C ATOM 102 NE ARG A 10 11.459 32.104 -2.031 1.00 0.00 N ATOM 103 CZ ARG A 10 11.082 33.372 -1.913 1.00 0.00 C ATOM 104 NH1 ARG A 10 9.801 33.699 -2.013 1.00 0.00 N ATOM 105 NH2 ARG A 10 11.988 34.317 -1.693 1.00 0.00 N ATOM 0 H ARG A 10 6.952 31.791 -4.082 1.00 0.00 H new ATOM 0 HA ARG A 10 7.243 28.987 -4.017 1.00 0.00 H new ATOM 0 HB2 ARG A 10 9.628 28.862 -3.368 1.00 0.00 H new ATOM 0 HB3 ARG A 10 9.426 29.361 -5.036 1.00 0.00 H new ATOM 0 HG2 ARG A 10 11.021 30.879 -4.360 1.00 0.00 H new ATOM 0 HG3 ARG A 10 9.571 31.804 -4.021 1.00 0.00 H new ATOM 0 HD2 ARG A 10 9.638 31.141 -1.661 1.00 0.00 H new ATOM 0 HD3 ARG A 10 10.988 30.066 -1.963 1.00 0.00 H new ATOM 0 HE ARG A 10 12.452 31.886 -1.947 1.00 0.00 H new ATOM 0 HH11 ARG A 10 9.102 32.976 -2.181 1.00 0.00 H new ATOM 0 HH12 ARG A 10 9.515 34.674 -1.922 1.00 0.00 H new ATOM 0 HH21 ARG A 10 12.974 34.069 -1.615 1.00 0.00 H new ATOM 0 HH22 ARG A 10 11.698 35.291 -1.603 1.00 0.00 H new ATOM 119 N ARG A 11 7.698 29.181 -1.439 1.00 0.00 N ATOM 120 CA ARG A 11 7.493 29.338 -0.004 1.00 0.00 C ATOM 121 C ARG A 11 8.138 28.189 0.765 1.00 0.00 C ATOM 122 O ARG A 11 8.141 27.039 0.325 1.00 0.00 O ATOM 123 CB ARG A 11 5.999 29.405 0.315 1.00 0.00 C ATOM 124 CG ARG A 11 5.213 28.208 -0.195 1.00 0.00 C ATOM 125 CD ARG A 11 4.810 28.386 -1.650 1.00 0.00 C ATOM 126 NE ARG A 11 3.941 29.545 -1.840 1.00 0.00 N ATOM 127 CZ ARG A 11 2.631 29.525 -1.624 1.00 0.00 C ATOM 128 NH1 ARG A 11 2.041 28.411 -1.213 1.00 0.00 N ATOM 129 NH2 ARG A 11 1.908 30.620 -1.819 1.00 0.00 N ATOM 0 H ARG A 11 7.966 28.240 -1.726 1.00 0.00 H new ATOM 0 HA ARG A 11 7.965 30.270 0.306 1.00 0.00 H new ATOM 0 HB2 ARG A 11 5.870 29.481 1.395 1.00 0.00 H new ATOM 0 HB3 ARG A 11 5.584 30.314 -0.120 1.00 0.00 H new ATOM 0 HG2 ARG A 11 5.815 27.305 -0.091 1.00 0.00 H new ATOM 0 HG3 ARG A 11 4.321 28.069 0.416 1.00 0.00 H new ATOM 0 HD2 ARG A 11 5.704 28.499 -2.263 1.00 0.00 H new ATOM 0 HD3 ARG A 11 4.298 27.488 -1.997 1.00 0.00 H new ATOM 0 HE ARG A 11 4.364 30.418 -2.156 1.00 0.00 H new ATOM 0 HH11 ARG A 11 2.594 27.567 -1.062 1.00 0.00 H new ATOM 0 HH12 ARG A 11 1.035 28.398 -1.048 1.00 0.00 H new ATOM 0 HH21 ARG A 11 2.358 31.479 -2.135 1.00 0.00 H new ATOM 0 HH22 ARG A 11 0.902 30.603 -1.653 1.00 0.00 H new ATOM 143 N PRO A 12 8.698 28.505 1.942 1.00 0.00 N ATOM 144 CA PRO A 12 9.356 27.514 2.798 1.00 0.00 C ATOM 145 C PRO A 12 8.365 26.537 3.421 1.00 0.00 C ATOM 146 O PRO A 12 8.734 25.430 3.814 1.00 0.00 O ATOM 147 CB PRO A 12 10.021 28.366 3.882 1.00 0.00 C ATOM 148 CG PRO A 12 9.208 29.614 3.934 1.00 0.00 C ATOM 149 CD PRO A 12 8.731 29.856 2.529 1.00 0.00 C ATOM 0 HA PRO A 12 10.054 26.892 2.238 1.00 0.00 H new ATOM 0 HB2 PRO A 12 10.021 27.853 4.844 1.00 0.00 H new ATOM 0 HB3 PRO A 12 11.061 28.581 3.635 1.00 0.00 H new ATOM 0 HG2 PRO A 12 8.367 29.503 4.618 1.00 0.00 H new ATOM 0 HG3 PRO A 12 9.803 30.453 4.294 1.00 0.00 H new ATOM 0 HD2 PRO A 12 7.747 30.325 2.514 1.00 0.00 H new ATOM 0 HD3 PRO A 12 9.406 30.515 1.983 1.00 0.00 H new ATOM 157 N ARG A 13 7.106 26.953 3.508 1.00 0.00 N ATOM 158 CA ARG A 13 6.062 26.114 4.084 1.00 0.00 C ATOM 159 C ARG A 13 6.027 24.747 3.406 1.00 0.00 C ATOM 160 O ARG A 13 6.330 24.623 2.220 1.00 0.00 O ATOM 161 CB ARG A 13 4.699 26.796 3.951 1.00 0.00 C ATOM 162 CG ARG A 13 4.633 28.160 4.618 1.00 0.00 C ATOM 163 CD ARG A 13 3.494 28.999 4.059 1.00 0.00 C ATOM 164 NE ARG A 13 2.218 28.681 4.692 1.00 0.00 N ATOM 165 CZ ARG A 13 1.063 29.233 4.337 1.00 0.00 C ATOM 166 NH1 ARG A 13 1.025 30.127 3.358 1.00 0.00 N ATOM 167 NH2 ARG A 13 -0.057 28.892 4.961 1.00 0.00 N ATOM 0 H ARG A 13 6.784 27.866 3.187 1.00 0.00 H new ATOM 0 HA ARG A 13 6.288 25.971 5.141 1.00 0.00 H new ATOM 0 HB2 ARG A 13 4.459 26.906 2.893 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.935 26.151 4.386 1.00 0.00 H new ATOM 0 HG2 ARG A 13 4.501 28.035 5.693 1.00 0.00 H new ATOM 0 HG3 ARG A 13 5.578 28.684 4.472 1.00 0.00 H new ATOM 0 HD2 ARG A 13 3.717 30.056 4.204 1.00 0.00 H new ATOM 0 HD3 ARG A 13 3.416 28.835 2.984 1.00 0.00 H new ATOM 0 HE ARG A 13 2.213 27.997 5.449 1.00 0.00 H new ATOM 0 HH11 ARG A 13 1.884 30.392 2.876 1.00 0.00 H new ATOM 0 HH12 ARG A 13 0.137 30.549 3.087 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -0.032 28.205 5.715 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -0.943 29.317 4.687 1.00 0.00 H new ATOM 181 N ALA A 14 5.656 23.724 4.169 1.00 0.00 N ATOM 182 CA ALA A 14 5.580 22.367 3.642 1.00 0.00 C ATOM 183 C ALA A 14 4.131 21.920 3.484 1.00 0.00 C ATOM 184 O ALA A 14 3.580 21.245 4.353 1.00 0.00 O ATOM 185 CB ALA A 14 6.334 21.406 4.549 1.00 0.00 C ATOM 0 H ALA A 14 5.404 23.809 5.154 1.00 0.00 H new ATOM 0 HA ALA A 14 6.045 22.360 2.656 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.269 20.396 4.144 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.380 21.707 4.608 1.00 0.00 H new ATOM 0 HB3 ALA A 14 5.894 21.426 5.546 1.00 0.00 H new ATOM 191 N GLY A 15 3.517 22.302 2.368 1.00 0.00 N ATOM 192 CA GLY A 15 2.136 21.931 2.116 1.00 0.00 C ATOM 193 C GLY A 15 2.003 20.518 1.586 1.00 0.00 C ATOM 194 O GLY A 15 2.883 19.677 1.770 1.00 0.00 O ATOM 0 H GLY A 15 3.951 22.862 1.634 1.00 0.00 H new ATOM 0 HA2 GLY A 15 1.564 22.025 3.039 1.00 0.00 H new ATOM 0 HA3 GLY A 15 1.701 22.627 1.399 1.00 0.00 H new ATOM 198 N PRO A 16 0.878 20.239 0.911 1.00 0.00 N ATOM 199 CA PRO A 16 0.604 18.917 0.339 1.00 0.00 C ATOM 200 C PRO A 16 1.510 18.600 -0.846 1.00 0.00 C ATOM 201 O PRO A 16 1.379 17.550 -1.475 1.00 0.00 O ATOM 202 CB PRO A 16 -0.854 19.022 -0.116 1.00 0.00 C ATOM 203 CG PRO A 16 -1.073 20.476 -0.352 1.00 0.00 C ATOM 204 CD PRO A 16 -0.214 21.193 0.653 1.00 0.00 C ATOM 0 HA PRO A 16 0.784 18.117 1.057 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.028 18.443 -1.023 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.535 18.637 0.644 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -0.796 20.752 -1.369 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -2.123 20.738 -0.225 1.00 0.00 H new ATOM 0 HD2 PRO A 16 0.162 22.137 0.259 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -0.768 21.425 1.562 1.00 0.00 H new ATOM 212 N GLU A 17 2.430 19.513 -1.144 1.00 0.00 N ATOM 213 CA GLU A 17 3.357 19.328 -2.254 1.00 0.00 C ATOM 214 C GLU A 17 4.509 18.411 -1.854 1.00 0.00 C ATOM 215 O GLU A 17 4.813 17.441 -2.547 1.00 0.00 O ATOM 216 CB GLU A 17 3.904 20.679 -2.720 1.00 0.00 C ATOM 217 CG GLU A 17 5.029 20.563 -3.734 1.00 0.00 C ATOM 218 CD GLU A 17 4.522 20.350 -5.147 1.00 0.00 C ATOM 219 OE1 GLU A 17 3.921 19.287 -5.409 1.00 0.00 O ATOM 220 OE2 GLU A 17 4.725 21.247 -5.992 1.00 0.00 O ATOM 0 H GLU A 17 2.553 20.387 -0.633 1.00 0.00 H new ATOM 0 HA GLU A 17 2.813 18.861 -3.075 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.091 21.260 -3.156 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.263 21.235 -1.854 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.636 21.468 -3.702 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.679 19.733 -3.456 1.00 0.00 H new ATOM 227 N GLU A 18 5.147 18.727 -0.731 1.00 0.00 N ATOM 228 CA GLU A 18 6.266 17.933 -0.240 1.00 0.00 C ATOM 229 C GLU A 18 5.905 16.451 -0.197 1.00 0.00 C ATOM 230 O GLU A 18 6.670 15.600 -0.652 1.00 0.00 O ATOM 231 CB GLU A 18 6.684 18.407 1.154 1.00 0.00 C ATOM 232 CG GLU A 18 7.921 17.705 1.690 1.00 0.00 C ATOM 233 CD GLU A 18 8.491 18.386 2.919 1.00 0.00 C ATOM 234 OE1 GLU A 18 7.703 18.745 3.819 1.00 0.00 O ATOM 235 OE2 GLU A 18 9.727 18.560 2.980 1.00 0.00 O ATOM 0 H GLU A 18 4.908 19.527 -0.145 1.00 0.00 H new ATOM 0 HA GLU A 18 7.101 18.066 -0.928 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.871 19.480 1.123 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.857 18.247 1.846 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.671 16.672 1.934 1.00 0.00 H new ATOM 0 HG3 GLU A 18 8.682 17.673 0.911 1.00 0.00 H new ATOM 242 N LEU A 19 4.734 16.149 0.352 1.00 0.00 N ATOM 243 CA LEU A 19 4.269 14.770 0.455 1.00 0.00 C ATOM 244 C LEU A 19 3.810 14.248 -0.902 1.00 0.00 C ATOM 245 O LEU A 19 4.140 13.129 -1.292 1.00 0.00 O ATOM 246 CB LEU A 19 3.125 14.671 1.466 1.00 0.00 C ATOM 247 CG LEU A 19 3.536 14.562 2.935 1.00 0.00 C ATOM 248 CD1 LEU A 19 4.352 13.300 3.169 1.00 0.00 C ATOM 249 CD2 LEU A 19 4.321 15.794 3.362 1.00 0.00 C ATOM 0 H LEU A 19 4.089 16.841 0.733 1.00 0.00 H new ATOM 0 HA LEU A 19 5.102 14.156 0.797 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.489 15.548 1.352 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.518 13.802 1.214 1.00 0.00 H new ATOM 0 HG LEU A 19 2.632 14.503 3.542 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.635 13.240 4.220 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.756 12.427 2.903 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.250 13.328 2.552 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.605 15.699 4.410 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.218 15.884 2.749 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.703 16.682 3.233 1.00 0.00 H new ATOM 261 N GLY A 20 3.047 15.067 -1.619 1.00 0.00 N ATOM 262 CA GLY A 20 2.556 14.671 -2.926 1.00 0.00 C ATOM 263 C GLY A 20 3.678 14.326 -3.886 1.00 0.00 C ATOM 264 O GLY A 20 3.456 13.661 -4.898 1.00 0.00 O ATOM 0 H GLY A 20 2.760 15.998 -1.318 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.897 13.810 -2.818 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.958 15.479 -3.346 1.00 0.00 H new ATOM 268 N LYS A 21 4.886 14.779 -3.569 1.00 0.00 N ATOM 269 CA LYS A 21 6.047 14.515 -4.411 1.00 0.00 C ATOM 270 C LYS A 21 6.687 13.178 -4.051 1.00 0.00 C ATOM 271 O LYS A 21 7.698 12.787 -4.635 1.00 0.00 O ATOM 272 CB LYS A 21 7.074 15.640 -4.265 1.00 0.00 C ATOM 273 CG LYS A 21 6.813 16.825 -5.179 1.00 0.00 C ATOM 274 CD LYS A 21 7.233 16.528 -6.609 1.00 0.00 C ATOM 275 CE LYS A 21 7.000 17.725 -7.518 1.00 0.00 C ATOM 276 NZ LYS A 21 7.009 17.339 -8.956 1.00 0.00 N ATOM 0 H LYS A 21 5.087 15.331 -2.735 1.00 0.00 H new ATOM 0 HA LYS A 21 5.711 14.470 -5.447 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.079 15.984 -3.231 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.067 15.243 -4.474 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.753 17.078 -5.155 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.357 17.696 -4.812 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.288 16.254 -6.630 1.00 0.00 H new ATOM 0 HD3 LYS A 21 6.673 15.671 -6.983 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.044 18.187 -7.272 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.772 18.473 -7.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.847 18.182 -9.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 7.930 16.921 -9.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 6.256 16.644 -9.134 1.00 0.00 H new ATOM 290 N ILE A 22 6.092 12.483 -3.088 1.00 0.00 N ATOM 291 CA ILE A 22 6.603 11.189 -2.654 1.00 0.00 C ATOM 292 C ILE A 22 5.976 10.053 -3.455 1.00 0.00 C ATOM 293 O ILE A 22 6.677 9.274 -4.102 1.00 0.00 O ATOM 294 CB ILE A 22 6.337 10.953 -1.155 1.00 0.00 C ATOM 295 CG1 ILE A 22 6.914 12.102 -0.326 1.00 0.00 C ATOM 296 CG2 ILE A 22 6.932 9.623 -0.715 1.00 0.00 C ATOM 297 CD1 ILE A 22 6.638 11.975 1.156 1.00 0.00 C ATOM 0 H ILE A 22 5.256 12.794 -2.594 1.00 0.00 H new ATOM 0 HA ILE A 22 7.679 11.201 -2.827 1.00 0.00 H new ATOM 0 HB ILE A 22 5.260 10.918 -0.992 1.00 0.00 H new ATOM 0 HG12 ILE A 22 7.991 12.148 -0.484 1.00 0.00 H new ATOM 0 HG13 ILE A 22 6.498 13.043 -0.686 1.00 0.00 H new ATOM 0 HG21 ILE A 22 6.736 9.470 0.346 1.00 0.00 H new ATOM 0 HG22 ILE A 22 6.478 8.814 -1.288 1.00 0.00 H new ATOM 0 HG23 ILE A 22 8.008 9.631 -0.888 1.00 0.00 H new ATOM 0 HD11 ILE A 22 7.076 12.824 1.682 1.00 0.00 H new ATOM 0 HD12 ILE A 22 5.561 11.959 1.326 1.00 0.00 H new ATOM 0 HD13 ILE A 22 7.078 11.050 1.530 1.00 0.00 H new ATOM 309 N LEU A 23 4.651 9.964 -3.408 1.00 0.00 N ATOM 310 CA LEU A 23 3.928 8.924 -4.131 1.00 0.00 C ATOM 311 C LEU A 23 3.218 9.502 -5.352 1.00 0.00 C ATOM 312 O LEU A 23 2.091 9.121 -5.663 1.00 0.00 O ATOM 313 CB LEU A 23 2.911 8.248 -3.209 1.00 0.00 C ATOM 314 CG LEU A 23 3.485 7.281 -2.173 1.00 0.00 C ATOM 315 CD1 LEU A 23 2.371 6.484 -1.512 1.00 0.00 C ATOM 316 CD2 LEU A 23 4.500 6.348 -2.818 1.00 0.00 C ATOM 0 H LEU A 23 4.056 10.600 -2.877 1.00 0.00 H new ATOM 0 HA LEU A 23 4.651 8.183 -4.471 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.355 9.024 -2.683 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.195 7.705 -3.826 1.00 0.00 H new ATOM 0 HG LEU A 23 3.994 7.863 -1.404 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.798 5.801 -0.778 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.681 7.166 -1.015 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.834 5.913 -2.269 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.898 5.667 -2.066 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.016 5.773 -3.608 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.314 6.934 -3.243 1.00 0.00 H new ATOM 328 N GLN A 24 3.889 10.422 -6.038 1.00 0.00 N ATOM 329 CA GLN A 24 3.322 11.051 -7.226 1.00 0.00 C ATOM 330 C GLN A 24 3.118 10.028 -8.338 1.00 0.00 C ATOM 331 O GLN A 24 4.079 9.524 -8.916 1.00 0.00 O ATOM 332 CB GLN A 24 4.233 12.178 -7.715 1.00 0.00 C ATOM 333 CG GLN A 24 3.709 12.890 -8.952 1.00 0.00 C ATOM 334 CD GLN A 24 2.250 13.281 -8.827 1.00 0.00 C ATOM 335 OE1 GLN A 24 1.771 13.595 -7.737 1.00 0.00 O ATOM 336 NE2 GLN A 24 1.534 13.263 -9.945 1.00 0.00 N ATOM 0 H GLN A 24 4.824 10.748 -5.792 1.00 0.00 H new ATOM 0 HA GLN A 24 2.351 11.468 -6.958 1.00 0.00 H new ATOM 0 HB2 GLN A 24 4.359 12.906 -6.913 1.00 0.00 H new ATOM 0 HB3 GLN A 24 5.219 11.768 -7.932 1.00 0.00 H new ATOM 0 HG2 GLN A 24 4.306 13.784 -9.132 1.00 0.00 H new ATOM 0 HG3 GLN A 24 3.834 12.242 -9.820 1.00 0.00 H new ATOM 0 HE21 GLN A 24 1.972 12.996 -10.827 1.00 0.00 H new ATOM 0 HE22 GLN A 24 0.546 13.516 -9.922 1.00 0.00 H new ATOM 345 N GLY A 25 1.857 9.726 -8.633 1.00 0.00 N ATOM 346 CA GLY A 25 1.549 8.764 -9.675 1.00 0.00 C ATOM 347 C GLY A 25 1.337 7.366 -9.130 1.00 0.00 C ATOM 348 O GLY A 25 1.628 6.378 -9.804 1.00 0.00 O ATOM 0 H GLY A 25 1.044 10.130 -8.169 1.00 0.00 H new ATOM 0 HA2 GLY A 25 0.652 9.083 -10.206 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.361 8.748 -10.402 1.00 0.00 H new ATOM 352 N VAL A 26 0.830 7.281 -7.904 1.00 0.00 N ATOM 353 CA VAL A 26 0.581 5.993 -7.267 1.00 0.00 C ATOM 354 C VAL A 26 -0.886 5.848 -6.878 1.00 0.00 C ATOM 355 O VAL A 26 -1.540 6.822 -6.506 1.00 0.00 O ATOM 356 CB VAL A 26 1.454 5.809 -6.012 1.00 0.00 C ATOM 357 CG1 VAL A 26 1.133 4.489 -5.327 1.00 0.00 C ATOM 358 CG2 VAL A 26 2.930 5.886 -6.374 1.00 0.00 C ATOM 0 H VAL A 26 0.584 8.089 -7.332 1.00 0.00 H new ATOM 0 HA VAL A 26 0.839 5.224 -7.995 1.00 0.00 H new ATOM 0 HB VAL A 26 1.232 6.616 -5.314 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.760 4.376 -4.442 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.084 4.478 -5.032 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.325 3.666 -6.015 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.532 5.754 -5.475 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.170 5.101 -7.091 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.146 6.859 -6.816 1.00 0.00 H new ATOM 368 N VAL A 27 -1.397 4.624 -6.966 1.00 0.00 N ATOM 369 CA VAL A 27 -2.787 4.349 -6.622 1.00 0.00 C ATOM 370 C VAL A 27 -2.888 3.221 -5.601 1.00 0.00 C ATOM 371 O VAL A 27 -2.545 2.075 -5.891 1.00 0.00 O ATOM 372 CB VAL A 27 -3.611 3.975 -7.868 1.00 0.00 C ATOM 373 CG1 VAL A 27 -5.059 3.702 -7.490 1.00 0.00 C ATOM 374 CG2 VAL A 27 -3.523 5.075 -8.915 1.00 0.00 C ATOM 0 H VAL A 27 -0.869 3.807 -7.273 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.192 5.264 -6.189 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.195 3.063 -8.296 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -5.625 3.439 -8.384 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -5.100 2.877 -6.779 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.491 4.594 -7.036 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.111 4.794 -9.789 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.912 6.005 -8.500 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.483 5.216 -9.208 1.00 0.00 H new ATOM 384 N VAL A 28 -3.362 3.554 -4.405 1.00 0.00 N ATOM 385 CA VAL A 28 -3.510 2.568 -3.340 1.00 0.00 C ATOM 386 C VAL A 28 -4.980 2.259 -3.078 1.00 0.00 C ATOM 387 O VAL A 28 -5.854 3.088 -3.331 1.00 0.00 O ATOM 388 CB VAL A 28 -2.857 3.053 -2.032 1.00 0.00 C ATOM 389 CG1 VAL A 28 -1.342 3.059 -2.161 1.00 0.00 C ATOM 390 CG2 VAL A 28 -3.375 4.434 -1.659 1.00 0.00 C ATOM 0 H VAL A 28 -3.650 4.498 -4.149 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.005 1.662 -3.675 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.126 2.361 -1.234 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.899 3.405 -1.227 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.991 2.050 -2.378 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.048 3.727 -2.971 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.903 4.761 -0.732 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.138 5.139 -2.456 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.455 4.392 -1.521 1.00 0.00 H new ATOM 400 N VAL A 29 -5.245 1.060 -2.569 1.00 0.00 N ATOM 401 CA VAL A 29 -6.609 0.641 -2.271 1.00 0.00 C ATOM 402 C VAL A 29 -6.724 0.121 -0.842 1.00 0.00 C ATOM 403 O VAL A 29 -5.913 -0.693 -0.399 1.00 0.00 O ATOM 404 CB VAL A 29 -7.085 -0.454 -3.244 1.00 0.00 C ATOM 405 CG1 VAL A 29 -8.395 -1.061 -2.765 1.00 0.00 C ATOM 406 CG2 VAL A 29 -7.232 0.110 -4.649 1.00 0.00 C ATOM 0 H VAL A 29 -4.533 0.362 -2.354 1.00 0.00 H new ATOM 0 HA VAL A 29 -7.243 1.520 -2.387 1.00 0.00 H new ATOM 0 HB VAL A 29 -6.334 -1.244 -3.271 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -8.716 -1.833 -3.465 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.252 -1.502 -1.779 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -9.157 -0.284 -2.708 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.569 -0.677 -5.324 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -7.962 0.919 -4.642 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -6.270 0.493 -4.990 1.00 0.00 H new ATOM 416 N LEU A 30 -7.737 0.595 -0.126 1.00 0.00 N ATOM 417 CA LEU A 30 -7.960 0.178 1.254 1.00 0.00 C ATOM 418 C LEU A 30 -8.730 -1.138 1.307 1.00 0.00 C ATOM 419 O LEU A 30 -9.803 -1.265 0.719 1.00 0.00 O ATOM 420 CB LEU A 30 -8.725 1.261 2.018 1.00 0.00 C ATOM 421 CG LEU A 30 -7.981 2.577 2.241 1.00 0.00 C ATOM 422 CD1 LEU A 30 -8.812 3.522 3.095 1.00 0.00 C ATOM 423 CD2 LEU A 30 -6.627 2.322 2.888 1.00 0.00 C ATOM 0 H LEU A 30 -8.417 1.269 -0.478 1.00 0.00 H new ATOM 0 HA LEU A 30 -6.988 0.029 1.724 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.647 1.475 1.478 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -9.010 0.859 2.990 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.815 3.047 1.272 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -8.266 4.454 3.243 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.757 3.731 2.593 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -9.010 3.060 4.062 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -6.112 3.270 3.039 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.770 1.830 3.850 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -6.028 1.683 2.239 1.00 0.00 H new ATOM 435 N SER A 31 -8.174 -2.114 2.018 1.00 0.00 N ATOM 436 CA SER A 31 -8.807 -3.421 2.148 1.00 0.00 C ATOM 437 C SER A 31 -8.518 -4.032 3.516 1.00 0.00 C ATOM 438 O SER A 31 -7.389 -4.422 3.808 1.00 0.00 O ATOM 439 CB SER A 31 -8.317 -4.360 1.044 1.00 0.00 C ATOM 440 OG SER A 31 -6.901 -4.409 1.007 1.00 0.00 O ATOM 0 H SER A 31 -7.287 -2.024 2.513 1.00 0.00 H new ATOM 0 HA SER A 31 -9.884 -3.287 2.050 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.714 -5.361 1.211 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.698 -4.023 0.080 1.00 0.00 H new ATOM 0 HG SER A 31 -6.546 -4.285 1.912 1.00 0.00 H new ATOM 446 N GLY A 32 -9.549 -4.111 4.351 1.00 0.00 N ATOM 447 CA GLY A 32 -9.387 -4.674 5.679 1.00 0.00 C ATOM 448 C GLY A 32 -9.027 -3.626 6.714 1.00 0.00 C ATOM 449 O GLY A 32 -8.169 -3.855 7.567 1.00 0.00 O ATOM 0 H GLY A 32 -10.494 -3.795 4.132 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -10.311 -5.170 5.975 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.609 -5.438 5.654 1.00 0.00 H new ATOM 453 N PHE A 33 -9.683 -2.473 6.638 1.00 0.00 N ATOM 454 CA PHE A 33 -9.426 -1.385 7.574 1.00 0.00 C ATOM 455 C PHE A 33 -10.728 -0.871 8.181 1.00 0.00 C ATOM 456 O PHE A 33 -11.802 -1.036 7.603 1.00 0.00 O ATOM 457 CB PHE A 33 -8.692 -0.241 6.871 1.00 0.00 C ATOM 458 CG PHE A 33 -7.344 -0.634 6.336 1.00 0.00 C ATOM 459 CD1 PHE A 33 -6.327 -1.015 7.196 1.00 0.00 C ATOM 460 CD2 PHE A 33 -7.094 -0.621 4.973 1.00 0.00 C ATOM 461 CE1 PHE A 33 -5.086 -1.376 6.708 1.00 0.00 C ATOM 462 CE2 PHE A 33 -5.855 -0.982 4.479 1.00 0.00 C ATOM 463 CZ PHE A 33 -4.850 -1.359 5.347 1.00 0.00 C ATOM 0 H PHE A 33 -10.396 -2.268 5.938 1.00 0.00 H new ATOM 0 HA PHE A 33 -8.798 -1.771 8.377 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -9.308 0.125 6.049 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -8.570 0.586 7.570 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -6.506 -1.030 8.261 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -7.876 -0.325 4.289 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -4.302 -1.671 7.389 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -5.673 -0.969 3.415 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.881 -1.640 4.963 1.00 0.00 H new ATOM 473 N GLN A 34 -10.624 -0.247 9.350 1.00 0.00 N ATOM 474 CA GLN A 34 -11.793 0.290 10.037 1.00 0.00 C ATOM 475 C GLN A 34 -11.460 1.608 10.728 1.00 0.00 C ATOM 476 O GLN A 34 -10.436 1.728 11.398 1.00 0.00 O ATOM 477 CB GLN A 34 -12.317 -0.718 11.061 1.00 0.00 C ATOM 478 CG GLN A 34 -13.228 -1.777 10.461 1.00 0.00 C ATOM 479 CD GLN A 34 -13.834 -2.687 11.511 1.00 0.00 C ATOM 480 OE1 GLN A 34 -13.192 -3.018 12.509 1.00 0.00 O ATOM 481 NE2 GLN A 34 -15.078 -3.099 11.291 1.00 0.00 N ATOM 0 H GLN A 34 -9.742 -0.101 9.841 1.00 0.00 H new ATOM 0 HA GLN A 34 -12.567 0.476 9.292 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -11.471 -1.209 11.541 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -12.860 -0.183 11.840 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -14.027 -1.290 9.903 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -12.662 -2.377 9.749 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -15.573 -2.800 10.451 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -15.538 -3.714 11.962 1.00 0.00 H new ATOM 490 N ASN A 35 -12.334 2.596 10.559 1.00 0.00 N ATOM 491 CA ASN A 35 -12.132 3.907 11.165 1.00 0.00 C ATOM 492 C ASN A 35 -11.996 3.790 12.680 1.00 0.00 C ATOM 493 O ASN A 35 -12.502 2.856 13.304 1.00 0.00 O ATOM 494 CB ASN A 35 -13.295 4.837 10.816 1.00 0.00 C ATOM 495 CG ASN A 35 -14.412 4.776 11.841 1.00 0.00 C ATOM 496 OD1 ASN A 35 -14.223 5.138 13.003 1.00 0.00 O ATOM 497 ND2 ASN A 35 -15.582 4.317 11.414 1.00 0.00 N ATOM 0 H ASN A 35 -13.188 2.513 10.008 1.00 0.00 H new ATOM 0 HA ASN A 35 -11.208 4.326 10.766 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -12.928 5.861 10.743 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -13.690 4.569 9.836 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -16.370 4.253 12.058 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -15.693 4.028 10.442 1.00 0.00 H new ATOM 504 N PRO A 36 -11.297 4.760 13.288 1.00 0.00 N ATOM 505 CA PRO A 36 -10.690 5.876 12.556 1.00 0.00 C ATOM 506 C PRO A 36 -9.513 5.432 11.695 1.00 0.00 C ATOM 507 O PRO A 36 -9.246 6.014 10.644 1.00 0.00 O ATOM 508 CB PRO A 36 -10.216 6.813 13.669 1.00 0.00 C ATOM 509 CG PRO A 36 -10.011 5.927 14.850 1.00 0.00 C ATOM 510 CD PRO A 36 -11.045 4.842 14.737 1.00 0.00 C ATOM 0 HA PRO A 36 -11.391 6.338 11.861 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -9.293 7.322 13.391 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -10.956 7.586 13.878 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -9.005 5.508 14.854 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -10.129 6.483 15.780 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -10.679 3.896 15.135 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -11.951 5.091 15.289 1.00 0.00 H new ATOM 518 N PHE A 37 -8.811 4.398 12.148 1.00 0.00 N ATOM 519 CA PHE A 37 -7.661 3.877 11.419 1.00 0.00 C ATOM 520 C PHE A 37 -7.874 3.992 9.912 1.00 0.00 C ATOM 521 O PHE A 37 -7.099 4.644 9.213 1.00 0.00 O ATOM 522 CB PHE A 37 -7.409 2.416 11.799 1.00 0.00 C ATOM 523 CG PHE A 37 -6.068 1.904 11.356 1.00 0.00 C ATOM 524 CD1 PHE A 37 -4.907 2.579 11.697 1.00 0.00 C ATOM 525 CD2 PHE A 37 -5.968 0.748 10.599 1.00 0.00 C ATOM 526 CE1 PHE A 37 -3.672 2.111 11.290 1.00 0.00 C ATOM 527 CE2 PHE A 37 -4.736 0.275 10.189 1.00 0.00 C ATOM 528 CZ PHE A 37 -3.586 0.957 10.536 1.00 0.00 C ATOM 0 H PHE A 37 -9.019 3.905 13.016 1.00 0.00 H new ATOM 0 HA PHE A 37 -6.790 4.472 11.692 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -7.490 2.311 12.881 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -8.189 1.795 11.360 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -4.968 3.481 12.288 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -6.864 0.210 10.326 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.775 2.647 11.561 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -4.672 -0.627 9.598 1.00 0.00 H new ATOM 0 HZ PHE A 37 -2.622 0.589 10.218 1.00 0.00 H new ATOM 538 N ARG A 38 -8.931 3.354 9.420 1.00 0.00 N ATOM 539 CA ARG A 38 -9.246 3.383 7.996 1.00 0.00 C ATOM 540 C ARG A 38 -9.170 4.806 7.452 1.00 0.00 C ATOM 541 O ARG A 38 -8.544 5.054 6.421 1.00 0.00 O ATOM 542 CB ARG A 38 -10.641 2.805 7.749 1.00 0.00 C ATOM 543 CG ARG A 38 -11.153 3.033 6.336 1.00 0.00 C ATOM 544 CD ARG A 38 -12.665 2.888 6.262 1.00 0.00 C ATOM 545 NE ARG A 38 -13.349 4.152 6.522 1.00 0.00 N ATOM 546 CZ ARG A 38 -14.671 4.280 6.550 1.00 0.00 C ATOM 547 NH1 ARG A 38 -15.447 3.226 6.336 1.00 0.00 N ATOM 548 NH2 ARG A 38 -15.219 5.464 6.793 1.00 0.00 N ATOM 0 H ARG A 38 -9.583 2.811 9.986 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.509 2.773 7.474 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -10.622 1.734 7.951 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -11.340 3.251 8.456 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.865 4.029 6.000 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -10.684 2.320 5.658 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -12.946 2.520 5.275 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -12.994 2.142 6.986 1.00 0.00 H new ATOM 0 HE ARG A 38 -12.781 4.982 6.691 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -15.029 2.314 6.149 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -16.462 3.327 6.358 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -14.625 6.277 6.958 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -16.234 5.561 6.814 1.00 0.00 H new ATOM 562 N SER A 39 -9.811 5.737 8.151 1.00 0.00 N ATOM 563 CA SER A 39 -9.820 7.135 7.735 1.00 0.00 C ATOM 564 C SER A 39 -8.411 7.721 7.770 1.00 0.00 C ATOM 565 O SER A 39 -7.901 8.196 6.756 1.00 0.00 O ATOM 566 CB SER A 39 -10.746 7.952 8.638 1.00 0.00 C ATOM 567 OG SER A 39 -12.055 7.408 8.651 1.00 0.00 O ATOM 0 H SER A 39 -10.331 5.549 9.008 1.00 0.00 H new ATOM 0 HA SER A 39 -10.189 7.181 6.711 1.00 0.00 H new ATOM 0 HB2 SER A 39 -10.347 7.971 9.652 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.781 8.984 8.290 1.00 0.00 H new ATOM 0 HG SER A 39 -12.627 7.947 9.236 1.00 0.00 H new ATOM 573 N GLU A 40 -7.790 7.682 8.944 1.00 0.00 N ATOM 574 CA GLU A 40 -6.441 8.210 9.112 1.00 0.00 C ATOM 575 C GLU A 40 -5.525 7.727 7.991 1.00 0.00 C ATOM 576 O GLU A 40 -4.919 8.529 7.279 1.00 0.00 O ATOM 577 CB GLU A 40 -5.870 7.791 10.468 1.00 0.00 C ATOM 578 CG GLU A 40 -4.506 8.390 10.766 1.00 0.00 C ATOM 579 CD GLU A 40 -4.562 9.890 10.981 1.00 0.00 C ATOM 580 OE1 GLU A 40 -4.506 10.635 9.979 1.00 0.00 O ATOM 581 OE2 GLU A 40 -4.662 10.320 12.149 1.00 0.00 O ATOM 0 H GLU A 40 -8.199 7.291 9.793 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.496 9.298 9.070 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.566 8.086 11.253 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.795 6.704 10.501 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.091 7.915 11.655 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.829 8.170 9.941 1.00 0.00 H new ATOM 588 N LEU A 41 -5.428 6.411 7.840 1.00 0.00 N ATOM 589 CA LEU A 41 -4.585 5.819 6.807 1.00 0.00 C ATOM 590 C LEU A 41 -4.769 6.541 5.475 1.00 0.00 C ATOM 591 O LEU A 41 -3.805 7.026 4.883 1.00 0.00 O ATOM 592 CB LEU A 41 -4.912 4.333 6.644 1.00 0.00 C ATOM 593 CG LEU A 41 -4.211 3.615 5.490 1.00 0.00 C ATOM 594 CD1 LEU A 41 -2.714 3.879 5.528 1.00 0.00 C ATOM 595 CD2 LEU A 41 -4.493 2.120 5.543 1.00 0.00 C ATOM 0 H LEU A 41 -5.923 5.733 8.420 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.545 5.924 7.116 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.657 3.821 7.572 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.989 4.231 6.509 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.604 4.006 4.551 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.232 3.360 4.699 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.531 4.950 5.441 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.304 3.516 6.471 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.987 1.625 4.715 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.128 1.714 6.486 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.567 1.949 5.466 1.00 0.00 H new ATOM 607 N ARG A 42 -6.012 6.609 5.012 1.00 0.00 N ATOM 608 CA ARG A 42 -6.322 7.272 3.751 1.00 0.00 C ATOM 609 C ARG A 42 -5.728 8.677 3.716 1.00 0.00 C ATOM 610 O ARG A 42 -5.046 9.049 2.761 1.00 0.00 O ATOM 611 CB ARG A 42 -7.837 7.342 3.546 1.00 0.00 C ATOM 612 CG ARG A 42 -8.245 7.592 2.103 1.00 0.00 C ATOM 613 CD ARG A 42 -9.724 7.927 1.993 1.00 0.00 C ATOM 614 NE ARG A 42 -10.548 7.043 2.815 1.00 0.00 N ATOM 615 CZ ARG A 42 -10.874 7.306 4.075 1.00 0.00 C ATOM 616 NH1 ARG A 42 -10.450 8.420 4.655 1.00 0.00 N ATOM 617 NH2 ARG A 42 -11.628 6.453 4.758 1.00 0.00 N ATOM 0 H ARG A 42 -6.821 6.213 5.491 1.00 0.00 H new ATOM 0 HA ARG A 42 -5.880 6.688 2.944 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.285 6.408 3.885 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -8.244 8.136 4.173 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -7.654 8.411 1.693 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -8.025 6.709 1.503 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -9.885 8.961 2.298 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -10.037 7.850 0.952 1.00 0.00 H new ATOM 0 HE ARG A 42 -10.891 6.177 2.398 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -9.871 9.078 4.133 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -10.702 8.619 5.623 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -11.957 5.595 4.315 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -11.878 6.655 5.726 1.00 0.00 H new ATOM 631 N ASP A 43 -5.993 9.452 4.761 1.00 0.00 N ATOM 632 CA ASP A 43 -5.484 10.816 4.851 1.00 0.00 C ATOM 633 C ASP A 43 -3.985 10.857 4.568 1.00 0.00 C ATOM 634 O ASP A 43 -3.522 11.629 3.729 1.00 0.00 O ATOM 635 CB ASP A 43 -5.770 11.400 6.235 1.00 0.00 C ATOM 636 CG ASP A 43 -7.108 12.109 6.299 1.00 0.00 C ATOM 637 OD1 ASP A 43 -7.184 13.276 5.858 1.00 0.00 O ATOM 638 OD2 ASP A 43 -8.081 11.498 6.789 1.00 0.00 O ATOM 0 H ASP A 43 -6.558 9.159 5.558 1.00 0.00 H new ATOM 0 HA ASP A 43 -5.994 11.418 4.099 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -5.750 10.600 6.975 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -4.978 12.100 6.501 1.00 0.00 H new ATOM 643 N LYS A 44 -3.232 10.020 5.274 1.00 0.00 N ATOM 644 CA LYS A 44 -1.786 9.959 5.099 1.00 0.00 C ATOM 645 C LYS A 44 -1.426 9.562 3.671 1.00 0.00 C ATOM 646 O LYS A 44 -0.530 10.145 3.062 1.00 0.00 O ATOM 647 CB LYS A 44 -1.174 8.962 6.086 1.00 0.00 C ATOM 648 CG LYS A 44 -1.170 9.454 7.523 1.00 0.00 C ATOM 649 CD LYS A 44 -1.189 8.297 8.509 1.00 0.00 C ATOM 650 CE LYS A 44 -1.017 8.781 9.940 1.00 0.00 C ATOM 651 NZ LYS A 44 -1.402 7.737 10.929 1.00 0.00 N ATOM 0 H LYS A 44 -3.600 9.374 5.973 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.380 10.951 5.295 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.728 8.025 6.033 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.150 8.745 5.782 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -0.285 10.066 7.696 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.037 10.092 7.693 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.131 7.755 8.418 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -0.392 7.595 8.263 1.00 0.00 H new ATOM 0 HE2 LYS A 44 0.021 9.070 10.103 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.625 9.672 10.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -1.884 8.183 11.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -2.042 7.052 10.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -0.549 7.246 11.265 1.00 0.00 H new ATOM 665 N ALA A 45 -2.132 8.568 3.143 1.00 0.00 N ATOM 666 CA ALA A 45 -1.889 8.096 1.785 1.00 0.00 C ATOM 667 C ALA A 45 -2.091 9.217 0.770 1.00 0.00 C ATOM 668 O ALA A 45 -1.334 9.339 -0.194 1.00 0.00 O ATOM 669 CB ALA A 45 -2.800 6.920 1.464 1.00 0.00 C ATOM 0 H ALA A 45 -2.877 8.074 3.635 1.00 0.00 H new ATOM 0 HA ALA A 45 -0.852 7.766 1.721 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -2.608 6.578 0.447 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.605 6.107 2.163 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -3.841 7.232 1.551 1.00 0.00 H new ATOM 675 N LEU A 46 -3.116 10.032 0.993 1.00 0.00 N ATOM 676 CA LEU A 46 -3.418 11.143 0.097 1.00 0.00 C ATOM 677 C LEU A 46 -2.262 12.138 0.054 1.00 0.00 C ATOM 678 O LEU A 46 -1.821 12.545 -1.020 1.00 0.00 O ATOM 679 CB LEU A 46 -4.699 11.850 0.543 1.00 0.00 C ATOM 680 CG LEU A 46 -5.980 11.018 0.486 1.00 0.00 C ATOM 681 CD1 LEU A 46 -7.100 11.708 1.248 1.00 0.00 C ATOM 682 CD2 LEU A 46 -6.390 10.768 -0.958 1.00 0.00 C ATOM 0 H LEU A 46 -3.752 9.945 1.786 1.00 0.00 H new ATOM 0 HA LEU A 46 -3.563 10.740 -0.905 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.561 12.197 1.567 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -4.837 12.735 -0.078 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.786 10.056 0.960 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -8.004 11.101 1.196 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.807 11.834 2.290 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.294 12.685 0.805 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.304 10.174 -0.979 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.565 11.721 -1.457 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.595 10.229 -1.474 1.00 0.00 H new ATOM 694 N GLU A 47 -1.776 12.524 1.230 1.00 0.00 N ATOM 695 CA GLU A 47 -0.671 13.470 1.326 1.00 0.00 C ATOM 696 C GLU A 47 0.468 13.072 0.392 1.00 0.00 C ATOM 697 O GLU A 47 0.941 13.880 -0.408 1.00 0.00 O ATOM 698 CB GLU A 47 -0.161 13.548 2.767 1.00 0.00 C ATOM 699 CG GLU A 47 -0.860 14.606 3.603 1.00 0.00 C ATOM 700 CD GLU A 47 -0.172 15.956 3.530 1.00 0.00 C ATOM 701 OE1 GLU A 47 0.814 16.159 4.268 1.00 0.00 O ATOM 702 OE2 GLU A 47 -0.620 16.808 2.735 1.00 0.00 O ATOM 0 H GLU A 47 -2.130 12.196 2.129 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.038 14.451 1.025 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.292 12.576 3.243 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.909 13.755 2.754 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.891 14.709 3.264 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.897 14.277 4.642 1.00 0.00 H new ATOM 709 N LEU A 48 0.905 11.822 0.500 1.00 0.00 N ATOM 710 CA LEU A 48 1.989 11.315 -0.333 1.00 0.00 C ATOM 711 C LEU A 48 1.728 11.613 -1.806 1.00 0.00 C ATOM 712 O LEU A 48 2.657 11.687 -2.610 1.00 0.00 O ATOM 713 CB LEU A 48 2.156 9.809 -0.127 1.00 0.00 C ATOM 714 CG LEU A 48 2.524 9.362 1.288 1.00 0.00 C ATOM 715 CD1 LEU A 48 2.252 7.876 1.466 1.00 0.00 C ATOM 716 CD2 LEU A 48 3.983 9.678 1.585 1.00 0.00 C ATOM 0 H LEU A 48 0.525 11.141 1.157 1.00 0.00 H new ATOM 0 HA LEU A 48 2.909 11.819 -0.036 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.225 9.318 -0.411 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.926 9.452 -0.811 1.00 0.00 H new ATOM 0 HG LEU A 48 1.903 9.912 1.995 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.520 7.576 2.479 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.194 7.677 1.296 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.847 7.309 0.750 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.227 9.353 2.596 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.621 9.156 0.872 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.147 10.752 1.500 1.00 0.00 H new ATOM 728 N GLY A 49 0.456 11.785 -2.154 1.00 0.00 N ATOM 729 CA GLY A 49 0.095 12.074 -3.529 1.00 0.00 C ATOM 730 C GLY A 49 -0.473 10.866 -4.247 1.00 0.00 C ATOM 731 O GLY A 49 -0.473 10.809 -5.476 1.00 0.00 O ATOM 0 H GLY A 49 -0.331 11.729 -1.507 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.638 12.881 -3.547 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.975 12.431 -4.065 1.00 0.00 H new ATOM 735 N ALA A 50 -0.956 9.896 -3.477 1.00 0.00 N ATOM 736 CA ALA A 50 -1.530 8.683 -4.047 1.00 0.00 C ATOM 737 C ALA A 50 -3.050 8.775 -4.118 1.00 0.00 C ATOM 738 O ALA A 50 -3.677 9.486 -3.331 1.00 0.00 O ATOM 739 CB ALA A 50 -1.110 7.468 -3.232 1.00 0.00 C ATOM 0 H ALA A 50 -0.961 9.927 -2.457 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.152 8.574 -5.063 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.545 6.569 -3.668 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.023 7.384 -3.237 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.460 7.579 -2.206 1.00 0.00 H new ATOM 745 N LYS A 51 -3.638 8.053 -5.065 1.00 0.00 N ATOM 746 CA LYS A 51 -5.086 8.053 -5.239 1.00 0.00 C ATOM 747 C LYS A 51 -5.731 6.931 -4.431 1.00 0.00 C ATOM 748 O LYS A 51 -5.188 5.830 -4.336 1.00 0.00 O ATOM 749 CB LYS A 51 -5.442 7.899 -6.719 1.00 0.00 C ATOM 750 CG LYS A 51 -5.326 9.191 -7.510 1.00 0.00 C ATOM 751 CD LYS A 51 -3.879 9.512 -7.843 1.00 0.00 C ATOM 752 CE LYS A 51 -3.458 8.886 -9.164 1.00 0.00 C ATOM 753 NZ LYS A 51 -3.716 9.794 -10.315 1.00 0.00 N ATOM 0 H LYS A 51 -3.134 7.460 -5.724 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.471 9.006 -4.876 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.788 7.150 -7.165 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.462 7.522 -6.802 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -5.903 9.108 -8.431 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.759 10.010 -6.936 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.747 10.593 -7.893 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.232 9.149 -7.045 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.397 8.639 -9.127 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.998 7.951 -9.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.416 9.331 -11.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -4.732 10.010 -10.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -3.181 10.677 -10.188 1.00 0.00 H new ATOM 767 N TYR A 52 -6.892 7.217 -3.852 1.00 0.00 N ATOM 768 CA TYR A 52 -7.610 6.232 -3.052 1.00 0.00 C ATOM 769 C TYR A 52 -8.839 5.718 -3.794 1.00 0.00 C ATOM 770 O TYR A 52 -9.688 6.498 -4.227 1.00 0.00 O ATOM 771 CB TYR A 52 -8.027 6.840 -1.711 1.00 0.00 C ATOM 772 CG TYR A 52 -9.278 6.222 -1.129 1.00 0.00 C ATOM 773 CD1 TYR A 52 -9.249 4.958 -0.553 1.00 0.00 C ATOM 774 CD2 TYR A 52 -10.489 6.902 -1.155 1.00 0.00 C ATOM 775 CE1 TYR A 52 -10.389 4.389 -0.021 1.00 0.00 C ATOM 776 CE2 TYR A 52 -11.635 6.342 -0.624 1.00 0.00 C ATOM 777 CZ TYR A 52 -11.580 5.085 -0.058 1.00 0.00 C ATOM 778 OH TYR A 52 -12.718 4.522 0.472 1.00 0.00 O ATOM 0 H TYR A 52 -7.356 8.123 -3.922 1.00 0.00 H new ATOM 0 HA TYR A 52 -6.940 5.391 -2.870 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -7.210 6.724 -0.999 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -8.187 7.910 -1.841 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -8.318 4.411 -0.521 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -10.536 7.886 -1.598 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -10.349 3.405 0.422 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -12.568 6.885 -0.652 1.00 0.00 H new ATOM 0 HH TYR A 52 -13.469 5.142 0.367 1.00 0.00 H new ATOM 788 N ARG A 53 -8.928 4.400 -3.937 1.00 0.00 N ATOM 789 CA ARG A 53 -10.052 3.781 -4.628 1.00 0.00 C ATOM 790 C ARG A 53 -10.780 2.801 -3.711 1.00 0.00 C ATOM 791 O ARG A 53 -10.174 2.115 -2.889 1.00 0.00 O ATOM 792 CB ARG A 53 -9.569 3.056 -5.886 1.00 0.00 C ATOM 793 CG ARG A 53 -8.863 3.964 -6.879 1.00 0.00 C ATOM 794 CD ARG A 53 -9.854 4.656 -7.803 1.00 0.00 C ATOM 795 NE ARG A 53 -9.187 5.533 -8.761 1.00 0.00 N ATOM 796 CZ ARG A 53 -9.819 6.159 -9.747 1.00 0.00 C ATOM 797 NH1 ARG A 53 -11.127 6.007 -9.903 1.00 0.00 N ATOM 798 NH2 ARG A 53 -9.143 6.941 -10.579 1.00 0.00 N ATOM 0 H ARG A 53 -8.235 3.740 -3.583 1.00 0.00 H new ATOM 0 HA ARG A 53 -10.748 4.569 -4.916 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -8.891 2.253 -5.595 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -10.423 2.590 -6.377 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.282 4.713 -6.340 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -8.159 3.380 -7.471 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -10.433 3.906 -8.341 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -10.559 5.237 -7.209 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.181 5.672 -8.668 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -11.651 5.408 -9.265 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -11.610 6.489 -10.661 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -8.137 7.062 -10.462 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -9.629 7.421 -11.336 1.00 0.00 H new ATOM 812 N PRO A 54 -12.112 2.735 -3.855 1.00 0.00 N ATOM 813 CA PRO A 54 -12.952 1.844 -3.049 1.00 0.00 C ATOM 814 C PRO A 54 -12.743 0.375 -3.401 1.00 0.00 C ATOM 815 O PRO A 54 -12.750 -0.490 -2.525 1.00 0.00 O ATOM 816 CB PRO A 54 -14.375 2.281 -3.403 1.00 0.00 C ATOM 817 CG PRO A 54 -14.260 2.883 -4.760 1.00 0.00 C ATOM 818 CD PRO A 54 -12.901 3.525 -4.815 1.00 0.00 C ATOM 0 HA PRO A 54 -12.721 1.917 -1.986 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -15.061 1.434 -3.403 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -14.759 3.002 -2.681 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -14.364 2.123 -5.534 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -15.046 3.619 -4.928 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -12.476 3.480 -5.818 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -12.942 4.577 -4.532 1.00 0.00 H new ATOM 826 N ASP A 55 -12.556 0.101 -4.687 1.00 0.00 N ATOM 827 CA ASP A 55 -12.344 -1.264 -5.154 1.00 0.00 C ATOM 828 C ASP A 55 -11.190 -1.323 -6.152 1.00 0.00 C ATOM 829 O ASP A 55 -10.857 -0.325 -6.789 1.00 0.00 O ATOM 830 CB ASP A 55 -13.619 -1.810 -5.798 1.00 0.00 C ATOM 831 CG ASP A 55 -14.240 -0.831 -6.774 1.00 0.00 C ATOM 832 OD1 ASP A 55 -13.807 -0.805 -7.945 1.00 0.00 O ATOM 833 OD2 ASP A 55 -15.160 -0.090 -6.367 1.00 0.00 O ATOM 0 H ASP A 55 -12.547 0.806 -5.425 1.00 0.00 H new ATOM 0 HA ASP A 55 -12.089 -1.881 -4.292 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -13.390 -2.741 -6.317 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -14.342 -2.050 -5.019 1.00 0.00 H new ATOM 838 N TRP A 56 -10.586 -2.499 -6.280 1.00 0.00 N ATOM 839 CA TRP A 56 -9.469 -2.688 -7.199 1.00 0.00 C ATOM 840 C TRP A 56 -9.779 -2.083 -8.563 1.00 0.00 C ATOM 841 O TRP A 56 -10.799 -2.399 -9.177 1.00 0.00 O ATOM 842 CB TRP A 56 -9.150 -4.176 -7.347 1.00 0.00 C ATOM 843 CG TRP A 56 -7.792 -4.438 -7.925 1.00 0.00 C ATOM 844 CD1 TRP A 56 -7.507 -5.125 -9.070 1.00 0.00 C ATOM 845 CD2 TRP A 56 -6.535 -4.018 -7.383 1.00 0.00 C ATOM 846 NE1 TRP A 56 -6.149 -5.158 -9.273 1.00 0.00 N ATOM 847 CE2 TRP A 56 -5.530 -4.485 -8.253 1.00 0.00 C ATOM 848 CE3 TRP A 56 -6.161 -3.291 -6.250 1.00 0.00 C ATOM 849 CZ2 TRP A 56 -4.178 -4.248 -8.022 1.00 0.00 C ATOM 850 CZ3 TRP A 56 -4.818 -3.058 -6.022 1.00 0.00 C ATOM 851 CH2 TRP A 56 -3.839 -3.534 -6.905 1.00 0.00 C ATOM 0 H TRP A 56 -10.851 -3.335 -5.760 1.00 0.00 H new ATOM 0 HA TRP A 56 -8.599 -2.177 -6.785 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -9.219 -4.654 -6.370 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -9.904 -4.640 -7.983 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -8.242 -5.576 -9.721 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -5.678 -5.610 -10.056 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -6.908 -2.918 -5.565 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -3.423 -4.615 -8.701 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -4.517 -2.499 -5.148 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -2.798 -3.333 -6.700 1.00 0.00 H new ATOM 862 N THR A 57 -8.893 -1.211 -9.035 1.00 0.00 N ATOM 863 CA THR A 57 -9.073 -0.562 -10.327 1.00 0.00 C ATOM 864 C THR A 57 -7.946 -0.926 -11.287 1.00 0.00 C ATOM 865 O THR A 57 -6.924 -1.477 -10.879 1.00 0.00 O ATOM 866 CB THR A 57 -9.133 0.971 -10.182 1.00 0.00 C ATOM 867 OG1 THR A 57 -8.024 1.433 -9.404 1.00 0.00 O ATOM 868 CG2 THR A 57 -10.435 1.401 -9.524 1.00 0.00 C ATOM 0 H THR A 57 -8.043 -0.938 -8.541 1.00 0.00 H new ATOM 0 HA THR A 57 -10.020 -0.919 -10.731 1.00 0.00 H new ATOM 0 HB THR A 57 -9.085 1.411 -11.178 1.00 0.00 H new ATOM 0 HG1 THR A 57 -7.977 2.411 -9.450 1.00 0.00 H new ATOM 0 HG21 THR A 57 -10.455 2.487 -9.432 1.00 0.00 H new ATOM 0 HG22 THR A 57 -11.277 1.073 -10.134 1.00 0.00 H new ATOM 0 HG23 THR A 57 -10.508 0.952 -8.534 1.00 0.00 H new ATOM 876 N ARG A 58 -8.140 -0.615 -12.565 1.00 0.00 N ATOM 877 CA ARG A 58 -7.139 -0.910 -13.583 1.00 0.00 C ATOM 878 C ARG A 58 -5.914 -0.015 -13.418 1.00 0.00 C ATOM 879 O ARG A 58 -4.871 -0.255 -14.026 1.00 0.00 O ATOM 880 CB ARG A 58 -7.733 -0.727 -14.981 1.00 0.00 C ATOM 881 CG ARG A 58 -6.911 -1.375 -16.082 1.00 0.00 C ATOM 882 CD ARG A 58 -7.098 -0.661 -17.411 1.00 0.00 C ATOM 883 NE ARG A 58 -8.260 -1.159 -18.142 1.00 0.00 N ATOM 884 CZ ARG A 58 -8.809 -0.524 -19.171 1.00 0.00 C ATOM 885 NH1 ARG A 58 -8.304 0.628 -19.589 1.00 0.00 N ATOM 886 NH2 ARG A 58 -9.866 -1.042 -19.785 1.00 0.00 N ATOM 0 H ARG A 58 -8.981 -0.159 -12.919 1.00 0.00 H new ATOM 0 HA ARG A 58 -6.828 -1.948 -13.460 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -8.739 -1.146 -14.996 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -7.828 0.339 -15.189 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -5.857 -1.362 -15.806 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -7.200 -2.421 -16.186 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -7.212 0.409 -17.235 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -6.204 -0.790 -18.021 1.00 0.00 H new ATOM 0 HE ARG A 58 -8.673 -2.043 -17.846 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -7.492 1.029 -19.120 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -8.728 1.114 -20.380 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -10.257 -1.929 -19.466 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -10.287 -0.553 -20.575 1.00 0.00 H new ATOM 900 N ASP A 59 -6.049 1.016 -12.591 1.00 0.00 N ATOM 901 CA ASP A 59 -4.954 1.947 -12.345 1.00 0.00 C ATOM 902 C ASP A 59 -4.275 1.648 -11.012 1.00 0.00 C ATOM 903 O ASP A 59 -3.300 2.301 -10.640 1.00 0.00 O ATOM 904 CB ASP A 59 -5.468 3.388 -12.358 1.00 0.00 C ATOM 905 CG ASP A 59 -6.177 3.738 -13.651 1.00 0.00 C ATOM 906 OD1 ASP A 59 -6.943 2.890 -14.156 1.00 0.00 O ATOM 907 OD2 ASP A 59 -5.966 4.859 -14.160 1.00 0.00 O ATOM 0 H ASP A 59 -6.906 1.228 -12.080 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.220 1.824 -13.142 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.151 3.535 -11.521 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -4.631 4.071 -12.210 1.00 0.00 H new ATOM 912 N SER A 60 -4.798 0.657 -10.297 1.00 0.00 N ATOM 913 CA SER A 60 -4.246 0.274 -9.003 1.00 0.00 C ATOM 914 C SER A 60 -2.851 -0.321 -9.162 1.00 0.00 C ATOM 915 O SER A 60 -2.671 -1.347 -9.819 1.00 0.00 O ATOM 916 CB SER A 60 -5.166 -0.733 -8.310 1.00 0.00 C ATOM 917 OG SER A 60 -6.152 -0.073 -7.534 1.00 0.00 O ATOM 0 H SER A 60 -5.603 0.105 -10.592 1.00 0.00 H new ATOM 0 HA SER A 60 -4.172 1.171 -8.388 1.00 0.00 H new ATOM 0 HB2 SER A 60 -5.648 -1.364 -9.057 1.00 0.00 H new ATOM 0 HB3 SER A 60 -4.576 -1.390 -7.671 1.00 0.00 H new ATOM 0 HG SER A 60 -6.741 0.443 -8.123 1.00 0.00 H new ATOM 923 N THR A 61 -1.863 0.331 -8.557 1.00 0.00 N ATOM 924 CA THR A 61 -0.483 -0.131 -8.631 1.00 0.00 C ATOM 925 C THR A 61 -0.102 -0.929 -7.389 1.00 0.00 C ATOM 926 O THR A 61 0.497 -1.995 -7.519 1.00 0.00 O ATOM 927 CB THR A 61 0.496 1.047 -8.791 1.00 0.00 C ATOM 928 OG1 THR A 61 0.344 1.962 -7.700 1.00 0.00 O ATOM 929 CG2 THR A 61 0.258 1.774 -10.106 1.00 0.00 C ATOM 0 H THR A 61 -1.994 1.182 -8.010 1.00 0.00 H new ATOM 0 HA THR A 61 -0.412 -0.774 -9.508 1.00 0.00 H new ATOM 0 HB THR A 61 1.511 0.649 -8.793 1.00 0.00 H new ATOM 0 HG1 THR A 61 0.979 1.733 -6.990 1.00 0.00 H new ATOM 0 HG21 THR A 61 0.961 2.602 -10.196 1.00 0.00 H new ATOM 0 HG22 THR A 61 0.403 1.082 -10.936 1.00 0.00 H new ATOM 0 HG23 THR A 61 -0.761 2.160 -10.129 1.00 0.00 H new ATOM 937 N HIS A 62 -0.455 -0.403 -6.225 1.00 0.00 N ATOM 938 CA HIS A 62 -0.144 -1.076 -4.976 1.00 0.00 C ATOM 939 C HIS A 62 -1.429 -1.281 -4.171 1.00 0.00 C ATOM 940 O HIS A 62 -2.339 -0.450 -4.169 1.00 0.00 O ATOM 941 CB HIS A 62 0.927 -0.310 -4.197 1.00 0.00 C ATOM 942 CG HIS A 62 2.122 0.090 -5.029 1.00 0.00 C ATOM 943 ND1 HIS A 62 2.053 1.044 -6.030 1.00 0.00 N ATOM 944 CD2 HIS A 62 3.415 -0.342 -4.998 1.00 0.00 C ATOM 945 CE1 HIS A 62 3.256 1.170 -6.571 1.00 0.00 C ATOM 946 NE2 HIS A 62 4.099 0.310 -5.930 1.00 0.00 N ATOM 0 H HIS A 62 -0.953 0.481 -6.121 1.00 0.00 H new ATOM 0 HA HIS A 62 0.276 -2.060 -5.184 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.479 0.586 -3.769 1.00 0.00 H new ATOM 0 HB3 HIS A 62 1.266 -0.926 -3.364 1.00 0.00 H new ATOM 0 HD2 HIS A 62 3.815 -1.089 -4.328 1.00 0.00 H new ATOM 0 HE1 HIS A 62 3.522 1.837 -7.378 1.00 0.00 H new ATOM 0 HE2 HIS A 62 5.091 0.188 -6.133 1.00 0.00 H new ATOM 954 N LEU A 63 -1.484 -2.414 -3.480 1.00 0.00 N ATOM 955 CA LEU A 63 -2.643 -2.756 -2.662 1.00 0.00 C ATOM 956 C LEU A 63 -2.286 -2.740 -1.179 1.00 0.00 C ATOM 957 O LEU A 63 -1.455 -3.526 -0.722 1.00 0.00 O ATOM 958 CB LEU A 63 -3.180 -4.134 -3.054 1.00 0.00 C ATOM 959 CG LEU A 63 -4.170 -4.771 -2.079 1.00 0.00 C ATOM 960 CD1 LEU A 63 -5.496 -4.027 -2.103 1.00 0.00 C ATOM 961 CD2 LEU A 63 -4.376 -6.242 -2.412 1.00 0.00 C ATOM 0 H LEU A 63 -0.740 -3.112 -3.470 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.416 -2.008 -2.839 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.663 -4.050 -4.028 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.334 -4.810 -3.175 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.755 -4.701 -1.073 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -6.188 -4.495 -1.403 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.335 -2.988 -1.815 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.916 -4.064 -3.108 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.084 -6.679 -1.708 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.768 -6.334 -3.425 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.424 -6.768 -2.342 1.00 0.00 H new ATOM 973 N ILE A 64 -2.921 -1.842 -0.433 1.00 0.00 N ATOM 974 CA ILE A 64 -2.673 -1.727 0.998 1.00 0.00 C ATOM 975 C ILE A 64 -3.506 -2.734 1.784 1.00 0.00 C ATOM 976 O ILE A 64 -4.649 -2.459 2.149 1.00 0.00 O ATOM 977 CB ILE A 64 -2.985 -0.308 1.511 1.00 0.00 C ATOM 978 CG1 ILE A 64 -2.245 0.735 0.673 1.00 0.00 C ATOM 979 CG2 ILE A 64 -2.608 -0.181 2.979 1.00 0.00 C ATOM 980 CD1 ILE A 64 -0.742 0.694 0.845 1.00 0.00 C ATOM 0 H ILE A 64 -3.611 -1.184 -0.796 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.614 -1.936 1.152 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.056 -0.130 1.415 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.486 0.582 -0.379 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.606 1.728 0.942 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.834 0.827 3.327 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.177 -0.903 3.565 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.542 -0.376 3.099 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.283 1.461 0.221 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.490 0.878 1.890 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.368 -0.286 0.549 1.00 0.00 H new ATOM 992 N CYS A 65 -2.924 -3.900 2.042 1.00 0.00 N ATOM 993 CA CYS A 65 -3.612 -4.949 2.786 1.00 0.00 C ATOM 994 C CYS A 65 -3.218 -4.919 4.259 1.00 0.00 C ATOM 995 O CYS A 65 -2.039 -4.818 4.594 1.00 0.00 O ATOM 996 CB CYS A 65 -3.293 -6.320 2.188 1.00 0.00 C ATOM 997 SG CYS A 65 -4.155 -7.694 2.988 1.00 0.00 S ATOM 0 H CYS A 65 -1.978 -4.143 1.747 1.00 0.00 H new ATOM 0 HA CYS A 65 -4.684 -4.769 2.712 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -3.550 -6.311 1.129 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -2.219 -6.492 2.253 1.00 0.00 H new ATOM 0 HG CYS A 65 -3.822 -8.810 2.411 1.00 0.00 H new ATOM 1003 N ALA A 66 -4.214 -5.006 5.134 1.00 0.00 N ATOM 1004 CA ALA A 66 -3.972 -4.990 6.571 1.00 0.00 C ATOM 1005 C ALA A 66 -3.294 -6.277 7.029 1.00 0.00 C ATOM 1006 O ALA A 66 -2.393 -6.251 7.868 1.00 0.00 O ATOM 1007 CB ALA A 66 -5.278 -4.782 7.324 1.00 0.00 C ATOM 0 H ALA A 66 -5.197 -5.088 4.873 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.302 -4.159 6.792 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -5.082 -4.772 8.396 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -5.722 -3.832 7.027 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -5.967 -5.593 7.088 1.00 0.00 H new ATOM 1013 N PHE A 67 -3.733 -7.401 6.473 1.00 0.00 N ATOM 1014 CA PHE A 67 -3.170 -8.699 6.826 1.00 0.00 C ATOM 1015 C PHE A 67 -3.419 -9.719 5.719 1.00 0.00 C ATOM 1016 O PHE A 67 -4.419 -9.645 5.006 1.00 0.00 O ATOM 1017 CB PHE A 67 -3.771 -9.200 8.141 1.00 0.00 C ATOM 1018 CG PHE A 67 -5.183 -8.740 8.368 1.00 0.00 C ATOM 1019 CD1 PHE A 67 -6.238 -9.349 7.708 1.00 0.00 C ATOM 1020 CD2 PHE A 67 -5.455 -7.699 9.241 1.00 0.00 C ATOM 1021 CE1 PHE A 67 -7.538 -8.927 7.915 1.00 0.00 C ATOM 1022 CE2 PHE A 67 -6.753 -7.273 9.451 1.00 0.00 C ATOM 1023 CZ PHE A 67 -7.796 -7.889 8.788 1.00 0.00 C ATOM 0 H PHE A 67 -4.477 -7.439 5.776 1.00 0.00 H new ATOM 0 HA PHE A 67 -2.094 -8.578 6.950 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -3.746 -10.290 8.151 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -3.149 -8.860 8.969 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -6.043 -10.162 7.025 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -4.643 -7.215 9.764 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -8.352 -9.409 7.394 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -6.951 -6.459 10.133 1.00 0.00 H new ATOM 0 HZ PHE A 67 -8.811 -7.560 8.952 1.00 0.00 H new ATOM 1033 N ALA A 68 -2.501 -10.670 5.581 1.00 0.00 N ATOM 1034 CA ALA A 68 -2.620 -11.706 4.563 1.00 0.00 C ATOM 1035 C ALA A 68 -3.815 -12.612 4.839 1.00 0.00 C ATOM 1036 O ALA A 68 -4.544 -12.415 5.810 1.00 0.00 O ATOM 1037 CB ALA A 68 -1.340 -12.524 4.489 1.00 0.00 C ATOM 0 H ALA A 68 -1.666 -10.744 6.162 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.782 -11.219 3.601 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.444 -13.294 3.724 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.505 -11.871 4.235 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.152 -12.994 5.454 1.00 0.00 H new ATOM 1043 N ASN A 69 -4.009 -13.606 3.979 1.00 0.00 N ATOM 1044 CA ASN A 69 -5.117 -14.543 4.130 1.00 0.00 C ATOM 1045 C ASN A 69 -6.457 -13.829 3.980 1.00 0.00 C ATOM 1046 O ASN A 69 -7.376 -14.037 4.773 1.00 0.00 O ATOM 1047 CB ASN A 69 -5.045 -15.234 5.494 1.00 0.00 C ATOM 1048 CG ASN A 69 -3.656 -15.760 5.802 1.00 0.00 C ATOM 1049 OD1 ASN A 69 -3.253 -16.811 5.304 1.00 0.00 O ATOM 1050 ND2 ASN A 69 -2.917 -15.029 6.628 1.00 0.00 N ATOM 0 H ASN A 69 -3.414 -13.784 3.170 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.035 -15.294 3.344 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -5.345 -14.531 6.271 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -5.757 -16.059 5.519 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -1.974 -15.332 6.873 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -3.292 -14.164 7.018 1.00 0.00 H new ATOM 1057 N THR A 70 -6.562 -12.988 2.956 1.00 0.00 N ATOM 1058 CA THR A 70 -7.788 -12.243 2.701 1.00 0.00 C ATOM 1059 C THR A 70 -8.336 -12.544 1.311 1.00 0.00 C ATOM 1060 O THR A 70 -7.617 -12.997 0.419 1.00 0.00 O ATOM 1061 CB THR A 70 -7.562 -10.725 2.834 1.00 0.00 C ATOM 1062 OG1 THR A 70 -6.236 -10.389 2.409 1.00 0.00 O ATOM 1063 CG2 THR A 70 -7.771 -10.270 4.270 1.00 0.00 C ATOM 0 H THR A 70 -5.812 -12.806 2.289 1.00 0.00 H new ATOM 0 HA THR A 70 -8.512 -12.562 3.451 1.00 0.00 H new ATOM 0 HB THR A 70 -8.287 -10.215 2.200 1.00 0.00 H new ATOM 0 HG1 THR A 70 -5.987 -9.514 2.774 1.00 0.00 H new ATOM 0 HG21 THR A 70 -7.606 -9.195 4.339 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.790 -10.501 4.580 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.067 -10.788 4.922 1.00 0.00 H new ATOM 1071 N PRO A 71 -9.638 -12.288 1.119 1.00 0.00 N ATOM 1072 CA PRO A 71 -10.310 -12.524 -0.163 1.00 0.00 C ATOM 1073 C PRO A 71 -9.858 -11.547 -1.243 1.00 0.00 C ATOM 1074 O PRO A 71 -10.020 -11.805 -2.435 1.00 0.00 O ATOM 1075 CB PRO A 71 -11.789 -12.309 0.168 1.00 0.00 C ATOM 1076 CG PRO A 71 -11.785 -11.398 1.347 1.00 0.00 C ATOM 1077 CD PRO A 71 -10.555 -11.749 2.137 1.00 0.00 C ATOM 0 HA PRO A 71 -10.088 -13.513 -0.564 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -12.322 -11.866 -0.673 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -12.284 -13.252 0.398 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -11.763 -10.354 1.034 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -12.685 -11.532 1.947 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -10.134 -10.875 2.635 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -10.772 -12.484 2.912 1.00 0.00 H new ATOM 1085 N LYS A 72 -9.290 -10.424 -0.817 1.00 0.00 N ATOM 1086 CA LYS A 72 -8.812 -9.408 -1.748 1.00 0.00 C ATOM 1087 C LYS A 72 -7.344 -9.633 -2.093 1.00 0.00 C ATOM 1088 O LYS A 72 -6.910 -9.361 -3.213 1.00 0.00 O ATOM 1089 CB LYS A 72 -8.998 -8.011 -1.150 1.00 0.00 C ATOM 1090 CG LYS A 72 -8.315 -6.913 -1.946 1.00 0.00 C ATOM 1091 CD LYS A 72 -9.078 -6.590 -3.219 1.00 0.00 C ATOM 1092 CE LYS A 72 -10.133 -5.521 -2.982 1.00 0.00 C ATOM 1093 NZ LYS A 72 -9.591 -4.150 -3.192 1.00 0.00 N ATOM 0 H LYS A 72 -9.149 -10.194 0.167 1.00 0.00 H new ATOM 0 HA LYS A 72 -9.398 -9.486 -2.664 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -10.064 -7.792 -1.085 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -8.609 -8.006 -0.132 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.232 -6.016 -1.333 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.300 -7.222 -2.197 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -8.381 -6.251 -3.986 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -9.554 -7.494 -3.598 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -10.974 -5.686 -3.655 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -10.516 -5.608 -1.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -10.341 -3.450 -3.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -8.804 -3.983 -2.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -9.248 -4.058 -4.170 1.00 0.00 H new ATOM 1107 N TYR A 73 -6.583 -10.133 -1.125 1.00 0.00 N ATOM 1108 CA TYR A 73 -5.163 -10.394 -1.326 1.00 0.00 C ATOM 1109 C TYR A 73 -4.951 -11.450 -2.406 1.00 0.00 C ATOM 1110 O TYR A 73 -4.041 -11.339 -3.228 1.00 0.00 O ATOM 1111 CB TYR A 73 -4.517 -10.851 -0.017 1.00 0.00 C ATOM 1112 CG TYR A 73 -3.322 -11.755 -0.215 1.00 0.00 C ATOM 1113 CD1 TYR A 73 -3.487 -13.105 -0.500 1.00 0.00 C ATOM 1114 CD2 TYR A 73 -2.027 -11.261 -0.117 1.00 0.00 C ATOM 1115 CE1 TYR A 73 -2.398 -13.936 -0.682 1.00 0.00 C ATOM 1116 CE2 TYR A 73 -0.932 -12.084 -0.298 1.00 0.00 C ATOM 1117 CZ TYR A 73 -1.123 -13.420 -0.580 1.00 0.00 C ATOM 1118 OH TYR A 73 -0.035 -14.244 -0.760 1.00 0.00 O ATOM 0 H TYR A 73 -6.926 -10.366 -0.193 1.00 0.00 H new ATOM 0 HA TYR A 73 -4.692 -9.467 -1.652 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.208 -9.974 0.552 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.262 -11.374 0.583 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -4.484 -13.512 -0.581 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -1.874 -10.215 0.105 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -2.544 -14.983 -0.903 1.00 0.00 H new ATOM 0 HE2 TYR A 73 0.068 -11.683 -0.219 1.00 0.00 H new ATOM 0 HH TYR A 73 -0.269 -14.964 -1.382 1.00 0.00 H new ATOM 1128 N SER A 74 -5.799 -12.473 -2.399 1.00 0.00 N ATOM 1129 CA SER A 74 -5.704 -13.552 -3.375 1.00 0.00 C ATOM 1130 C SER A 74 -6.209 -13.094 -4.741 1.00 0.00 C ATOM 1131 O SER A 74 -5.689 -13.508 -5.776 1.00 0.00 O ATOM 1132 CB SER A 74 -6.505 -14.767 -2.904 1.00 0.00 C ATOM 1133 OG SER A 74 -6.279 -15.885 -3.745 1.00 0.00 O ATOM 0 H SER A 74 -6.560 -12.577 -1.728 1.00 0.00 H new ATOM 0 HA SER A 74 -4.655 -13.832 -3.469 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.226 -15.016 -1.880 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.568 -14.524 -2.894 1.00 0.00 H new ATOM 0 HG SER A 74 -6.801 -16.649 -3.421 1.00 0.00 H new ATOM 1139 N GLN A 75 -7.226 -12.238 -4.732 1.00 0.00 N ATOM 1140 CA GLN A 75 -7.802 -11.725 -5.970 1.00 0.00 C ATOM 1141 C GLN A 75 -6.798 -10.852 -6.716 1.00 0.00 C ATOM 1142 O GLN A 75 -6.636 -10.974 -7.930 1.00 0.00 O ATOM 1143 CB GLN A 75 -9.071 -10.924 -5.672 1.00 0.00 C ATOM 1144 CG GLN A 75 -10.074 -10.929 -6.814 1.00 0.00 C ATOM 1145 CD GLN A 75 -11.047 -12.089 -6.732 1.00 0.00 C ATOM 1146 OE1 GLN A 75 -10.659 -13.219 -6.436 1.00 0.00 O ATOM 1147 NE2 GLN A 75 -12.319 -11.814 -6.993 1.00 0.00 N ATOM 0 H GLN A 75 -7.668 -11.886 -3.883 1.00 0.00 H new ATOM 0 HA GLN A 75 -8.057 -12.575 -6.603 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -9.547 -11.331 -4.780 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -8.796 -9.894 -5.445 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -10.631 -9.992 -6.808 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -9.539 -10.975 -7.762 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -12.596 -10.862 -7.234 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -13.020 -12.554 -6.952 1.00 0.00 H new ATOM 1156 N VAL A 76 -6.127 -9.971 -5.982 1.00 0.00 N ATOM 1157 CA VAL A 76 -5.138 -9.078 -6.574 1.00 0.00 C ATOM 1158 C VAL A 76 -3.821 -9.804 -6.823 1.00 0.00 C ATOM 1159 O VAL A 76 -2.960 -9.316 -7.557 1.00 0.00 O ATOM 1160 CB VAL A 76 -4.876 -7.855 -5.674 1.00 0.00 C ATOM 1161 CG1 VAL A 76 -3.938 -6.876 -6.363 1.00 0.00 C ATOM 1162 CG2 VAL A 76 -6.186 -7.179 -5.300 1.00 0.00 C ATOM 0 H VAL A 76 -6.250 -9.856 -4.976 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.547 -8.738 -7.525 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.395 -8.196 -4.757 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.765 -6.019 -5.712 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.989 -7.369 -6.574 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.387 -6.538 -7.297 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -5.982 -6.317 -4.664 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -6.697 -6.850 -6.205 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -6.819 -7.885 -4.762 1.00 0.00 H new ATOM 1172 N LEU A 77 -3.670 -10.971 -6.208 1.00 0.00 N ATOM 1173 CA LEU A 77 -2.457 -11.767 -6.363 1.00 0.00 C ATOM 1174 C LEU A 77 -2.423 -12.448 -7.727 1.00 0.00 C ATOM 1175 O LEU A 77 -1.378 -12.517 -8.373 1.00 0.00 O ATOM 1176 CB LEU A 77 -2.366 -12.816 -5.253 1.00 0.00 C ATOM 1177 CG LEU A 77 -1.245 -13.846 -5.395 1.00 0.00 C ATOM 1178 CD1 LEU A 77 0.115 -13.174 -5.288 1.00 0.00 C ATOM 1179 CD2 LEU A 77 -1.388 -14.937 -4.343 1.00 0.00 C ATOM 0 H LEU A 77 -4.372 -11.388 -5.597 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.601 -11.097 -6.291 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.240 -12.299 -4.302 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.317 -13.347 -5.203 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.322 -14.306 -6.380 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.900 -13.923 -5.391 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.217 -12.430 -6.078 1.00 0.00 H new ATOM 0 HD13 LEU A 77 0.204 -12.686 -4.317 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.582 -15.662 -4.459 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.337 -14.493 -3.349 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.348 -15.439 -4.467 1.00 0.00 H new ATOM 1191 N GLY A 78 -3.576 -12.950 -8.161 1.00 0.00 N ATOM 1192 CA GLY A 78 -3.657 -13.618 -9.447 1.00 0.00 C ATOM 1193 C GLY A 78 -3.628 -12.645 -10.609 1.00 0.00 C ATOM 1194 O GLY A 78 -2.987 -12.903 -11.628 1.00 0.00 O ATOM 0 H GLY A 78 -4.455 -12.906 -7.645 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -2.827 -14.318 -9.542 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -4.575 -14.204 -9.491 1.00 0.00 H new ATOM 1198 N LEU A 79 -4.324 -11.524 -10.457 1.00 0.00 N ATOM 1199 CA LEU A 79 -4.377 -10.508 -11.503 1.00 0.00 C ATOM 1200 C LEU A 79 -2.974 -10.052 -11.890 1.00 0.00 C ATOM 1201 O LEU A 79 -2.609 -10.063 -13.065 1.00 0.00 O ATOM 1202 CB LEU A 79 -5.205 -9.309 -11.036 1.00 0.00 C ATOM 1203 CG LEU A 79 -6.718 -9.519 -10.981 1.00 0.00 C ATOM 1204 CD1 LEU A 79 -7.356 -8.551 -9.997 1.00 0.00 C ATOM 1205 CD2 LEU A 79 -7.329 -9.354 -12.365 1.00 0.00 C ATOM 0 H LEU A 79 -4.860 -11.295 -9.620 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.851 -10.949 -12.380 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.862 -9.021 -10.042 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.999 -8.470 -11.700 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.912 -10.535 -10.638 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -8.433 -8.715 -9.971 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.940 -8.716 -9.003 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -7.153 -7.527 -10.310 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -8.407 -9.507 -12.308 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -7.124 -8.350 -12.736 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -6.894 -10.087 -13.044 1.00 0.00 H new ATOM 1217 N GLY A 80 -2.190 -9.653 -10.893 1.00 0.00 N ATOM 1218 CA GLY A 80 -0.835 -9.201 -11.150 1.00 0.00 C ATOM 1219 C GLY A 80 -0.546 -7.851 -10.525 1.00 0.00 C ATOM 1220 O GLY A 80 0.296 -7.100 -11.014 1.00 0.00 O ATOM 0 H GLY A 80 -2.469 -9.635 -9.912 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -0.130 -9.936 -10.761 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -0.673 -9.142 -12.226 1.00 0.00 H new ATOM 1224 N GLY A 81 -1.249 -7.540 -9.440 1.00 0.00 N ATOM 1225 CA GLY A 81 -1.051 -6.270 -8.766 1.00 0.00 C ATOM 1226 C GLY A 81 0.004 -6.348 -7.680 1.00 0.00 C ATOM 1227 O GLY A 81 0.326 -7.433 -7.197 1.00 0.00 O ATOM 0 H GLY A 81 -1.952 -8.145 -9.016 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.760 -5.516 -9.497 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -1.995 -5.943 -8.329 1.00 0.00 H new ATOM 1231 N ARG A 82 0.543 -5.196 -7.297 1.00 0.00 N ATOM 1232 CA ARG A 82 1.570 -5.139 -6.264 1.00 0.00 C ATOM 1233 C ARG A 82 0.945 -5.210 -4.873 1.00 0.00 C ATOM 1234 O ARG A 82 0.467 -4.205 -4.345 1.00 0.00 O ATOM 1235 CB ARG A 82 2.391 -3.856 -6.401 1.00 0.00 C ATOM 1236 CG ARG A 82 3.784 -3.957 -5.802 1.00 0.00 C ATOM 1237 CD ARG A 82 4.800 -4.428 -6.830 1.00 0.00 C ATOM 1238 NE ARG A 82 4.864 -5.885 -6.910 1.00 0.00 N ATOM 1239 CZ ARG A 82 4.108 -6.610 -7.727 1.00 0.00 C ATOM 1240 NH1 ARG A 82 3.236 -6.016 -8.530 1.00 0.00 N ATOM 1241 NH2 ARG A 82 4.223 -7.932 -7.742 1.00 0.00 N ATOM 0 H ARG A 82 0.286 -4.289 -7.686 1.00 0.00 H new ATOM 0 HA ARG A 82 2.228 -5.998 -6.393 1.00 0.00 H new ATOM 0 HB2 ARG A 82 2.477 -3.601 -7.457 1.00 0.00 H new ATOM 0 HB3 ARG A 82 1.855 -3.039 -5.918 1.00 0.00 H new ATOM 0 HG2 ARG A 82 4.084 -2.985 -5.411 1.00 0.00 H new ATOM 0 HG3 ARG A 82 3.770 -4.649 -4.960 1.00 0.00 H new ATOM 0 HD2 ARG A 82 4.541 -4.023 -7.808 1.00 0.00 H new ATOM 0 HD3 ARG A 82 5.784 -4.036 -6.573 1.00 0.00 H new ATOM 0 HE ARG A 82 5.525 -6.372 -6.305 1.00 0.00 H new ATOM 0 HH11 ARG A 82 3.145 -5.000 -8.521 1.00 0.00 H new ATOM 0 HH12 ARG A 82 2.657 -6.575 -9.156 1.00 0.00 H new ATOM 0 HH21 ARG A 82 4.893 -8.393 -7.126 1.00 0.00 H new ATOM 0 HH22 ARG A 82 3.642 -8.487 -8.370 1.00 0.00 H new ATOM 1255 N ILE A 83 0.954 -6.402 -4.286 1.00 0.00 N ATOM 1256 CA ILE A 83 0.389 -6.603 -2.958 1.00 0.00 C ATOM 1257 C ILE A 83 1.409 -6.274 -1.872 1.00 0.00 C ATOM 1258 O ILE A 83 2.376 -7.008 -1.671 1.00 0.00 O ATOM 1259 CB ILE A 83 -0.098 -8.051 -2.767 1.00 0.00 C ATOM 1260 CG1 ILE A 83 -1.018 -8.459 -3.920 1.00 0.00 C ATOM 1261 CG2 ILE A 83 -0.816 -8.197 -1.433 1.00 0.00 C ATOM 1262 CD1 ILE A 83 -1.288 -9.946 -3.980 1.00 0.00 C ATOM 0 H ILE A 83 1.346 -7.243 -4.709 1.00 0.00 H new ATOM 0 HA ILE A 83 -0.462 -5.928 -2.871 1.00 0.00 H new ATOM 0 HB ILE A 83 0.768 -8.713 -2.766 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.966 -7.929 -3.823 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -0.570 -8.141 -4.861 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.154 -9.226 -1.313 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -0.133 -7.942 -0.622 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.676 -7.527 -1.407 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.947 -10.163 -4.821 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -0.347 -10.482 -4.109 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -1.765 -10.267 -3.054 1.00 0.00 H new ATOM 1274 N VAL A 84 1.184 -5.167 -1.172 1.00 0.00 N ATOM 1275 CA VAL A 84 2.080 -4.742 -0.104 1.00 0.00 C ATOM 1276 C VAL A 84 1.320 -4.530 1.200 1.00 0.00 C ATOM 1277 O VAL A 84 0.102 -4.351 1.198 1.00 0.00 O ATOM 1278 CB VAL A 84 2.816 -3.440 -0.474 1.00 0.00 C ATOM 1279 CG1 VAL A 84 3.825 -3.693 -1.583 1.00 0.00 C ATOM 1280 CG2 VAL A 84 1.821 -2.364 -0.882 1.00 0.00 C ATOM 0 H VAL A 84 0.388 -4.548 -1.326 1.00 0.00 H new ATOM 0 HA VAL A 84 2.811 -5.539 0.031 1.00 0.00 H new ATOM 0 HB VAL A 84 3.358 -3.088 0.403 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.335 -2.762 -1.831 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.556 -4.429 -1.249 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.308 -4.070 -2.466 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.358 -1.451 -1.140 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.250 -2.705 -1.745 1.00 0.00 H new ATOM 0 HG23 VAL A 84 1.142 -2.164 -0.053 1.00 0.00 H new ATOM 1290 N ARG A 85 2.047 -4.552 2.313 1.00 0.00 N ATOM 1291 CA ARG A 85 1.440 -4.363 3.625 1.00 0.00 C ATOM 1292 C ARG A 85 1.045 -2.904 3.836 1.00 0.00 C ATOM 1293 O ARG A 85 1.183 -2.075 2.937 1.00 0.00 O ATOM 1294 CB ARG A 85 2.407 -4.805 4.725 1.00 0.00 C ATOM 1295 CG ARG A 85 2.519 -6.314 4.868 1.00 0.00 C ATOM 1296 CD ARG A 85 3.670 -6.704 5.782 1.00 0.00 C ATOM 1297 NE ARG A 85 3.466 -6.234 7.149 1.00 0.00 N ATOM 1298 CZ ARG A 85 4.260 -6.558 8.164 1.00 0.00 C ATOM 1299 NH1 ARG A 85 5.306 -7.348 7.965 1.00 0.00 N ATOM 1300 NH2 ARG A 85 4.009 -6.091 9.380 1.00 0.00 N ATOM 0 H ARG A 85 3.056 -4.699 2.332 1.00 0.00 H new ATOM 0 HA ARG A 85 0.540 -4.976 3.674 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.395 -4.394 4.515 1.00 0.00 H new ATOM 0 HB3 ARG A 85 2.081 -4.382 5.675 1.00 0.00 H new ATOM 0 HG2 ARG A 85 1.586 -6.713 5.266 1.00 0.00 H new ATOM 0 HG3 ARG A 85 2.665 -6.764 3.886 1.00 0.00 H new ATOM 0 HD2 ARG A 85 3.780 -7.788 5.784 1.00 0.00 H new ATOM 0 HD3 ARG A 85 4.600 -6.290 5.391 1.00 0.00 H new ATOM 0 HE ARG A 85 2.670 -5.623 7.335 1.00 0.00 H new ATOM 0 HH11 ARG A 85 5.503 -7.708 7.031 1.00 0.00 H new ATOM 0 HH12 ARG A 85 5.914 -7.595 8.746 1.00 0.00 H new ATOM 0 HH21 ARG A 85 3.206 -5.482 9.537 1.00 0.00 H new ATOM 0 HH22 ARG A 85 4.619 -6.341 10.158 1.00 0.00 H new ATOM 1314 N LYS A 86 0.551 -2.598 5.031 1.00 0.00 N ATOM 1315 CA LYS A 86 0.136 -1.240 5.363 1.00 0.00 C ATOM 1316 C LYS A 86 1.322 -0.410 5.844 1.00 0.00 C ATOM 1317 O LYS A 86 1.388 0.794 5.599 1.00 0.00 O ATOM 1318 CB LYS A 86 -0.952 -1.266 6.439 1.00 0.00 C ATOM 1319 CG LYS A 86 -0.535 -1.990 7.708 1.00 0.00 C ATOM 1320 CD LYS A 86 -1.521 -1.747 8.838 1.00 0.00 C ATOM 1321 CE LYS A 86 -1.197 -2.601 10.054 1.00 0.00 C ATOM 1322 NZ LYS A 86 -1.504 -4.039 9.820 1.00 0.00 N ATOM 0 H LYS A 86 0.428 -3.273 5.786 1.00 0.00 H new ATOM 0 HA LYS A 86 -0.265 -0.779 4.460 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -1.228 -0.242 6.689 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -1.842 -1.746 6.032 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -0.463 -3.060 7.511 1.00 0.00 H new ATOM 0 HG3 LYS A 86 0.457 -1.654 8.011 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -1.504 -0.693 9.117 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.531 -1.969 8.495 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -0.142 -2.491 10.304 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -1.767 -2.243 10.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -2.258 -4.343 10.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -1.818 -4.172 8.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -0.651 -4.608 9.991 1.00 0.00 H new ATOM 1336 N GLU A 87 2.257 -1.063 6.527 1.00 0.00 N ATOM 1337 CA GLU A 87 3.441 -0.384 7.041 1.00 0.00 C ATOM 1338 C GLU A 87 4.070 0.500 5.967 1.00 0.00 C ATOM 1339 O GLU A 87 4.670 1.531 6.271 1.00 0.00 O ATOM 1340 CB GLU A 87 4.465 -1.405 7.541 1.00 0.00 C ATOM 1341 CG GLU A 87 4.128 -1.988 8.902 1.00 0.00 C ATOM 1342 CD GLU A 87 5.359 -2.431 9.669 1.00 0.00 C ATOM 1343 OE1 GLU A 87 5.922 -1.603 10.416 1.00 0.00 O ATOM 1344 OE2 GLU A 87 5.761 -3.604 9.521 1.00 0.00 O ATOM 0 H GLU A 87 2.218 -2.060 6.737 1.00 0.00 H new ATOM 0 HA GLU A 87 3.133 0.248 7.874 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.541 -2.216 6.816 1.00 0.00 H new ATOM 0 HB3 GLU A 87 5.445 -0.930 7.591 1.00 0.00 H new ATOM 0 HG2 GLU A 87 3.588 -1.244 9.488 1.00 0.00 H new ATOM 0 HG3 GLU A 87 3.459 -2.839 8.773 1.00 0.00 H new ATOM 1351 N TRP A 88 3.928 0.088 4.713 1.00 0.00 N ATOM 1352 CA TRP A 88 4.482 0.842 3.594 1.00 0.00 C ATOM 1353 C TRP A 88 4.024 2.295 3.636 1.00 0.00 C ATOM 1354 O TRP A 88 4.819 3.200 3.887 1.00 0.00 O ATOM 1355 CB TRP A 88 4.069 0.202 2.267 1.00 0.00 C ATOM 1356 CG TRP A 88 4.573 0.946 1.067 1.00 0.00 C ATOM 1357 CD1 TRP A 88 5.875 1.100 0.685 1.00 0.00 C ATOM 1358 CD2 TRP A 88 3.782 1.638 0.094 1.00 0.00 C ATOM 1359 NE1 TRP A 88 5.942 1.847 -0.467 1.00 0.00 N ATOM 1360 CE2 TRP A 88 4.672 2.188 -0.850 1.00 0.00 C ATOM 1361 CE3 TRP A 88 2.410 1.845 -0.073 1.00 0.00 C ATOM 1362 CZ2 TRP A 88 4.231 2.931 -1.942 1.00 0.00 C ATOM 1363 CZ3 TRP A 88 1.975 2.582 -1.157 1.00 0.00 C ATOM 1364 CH2 TRP A 88 2.883 3.118 -2.081 1.00 0.00 C ATOM 0 H TRP A 88 3.434 -0.763 4.445 1.00 0.00 H new ATOM 0 HA TRP A 88 5.569 0.821 3.677 1.00 0.00 H new ATOM 0 HB2 TRP A 88 4.442 -0.822 2.234 1.00 0.00 H new ATOM 0 HB3 TRP A 88 2.981 0.147 2.221 1.00 0.00 H new ATOM 0 HD1 TRP A 88 6.727 0.695 1.211 1.00 0.00 H new ATOM 0 HE1 TRP A 88 6.798 2.105 -0.957 1.00 0.00 H new ATOM 0 HE3 TRP A 88 1.702 1.436 0.633 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 4.929 3.345 -2.654 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 0.917 2.748 -1.295 1.00 0.00 H new ATOM 0 HH2 TRP A 88 2.511 3.689 -2.919 1.00 0.00 H new ATOM 1375 N VAL A 89 2.736 2.513 3.389 1.00 0.00 N ATOM 1376 CA VAL A 89 2.171 3.857 3.400 1.00 0.00 C ATOM 1377 C VAL A 89 2.306 4.498 4.777 1.00 0.00 C ATOM 1378 O VAL A 89 2.801 5.619 4.906 1.00 0.00 O ATOM 1379 CB VAL A 89 0.685 3.845 2.995 1.00 0.00 C ATOM 1380 CG1 VAL A 89 -0.154 3.163 4.064 1.00 0.00 C ATOM 1381 CG2 VAL A 89 0.192 5.262 2.741 1.00 0.00 C ATOM 0 H VAL A 89 2.064 1.775 3.179 1.00 0.00 H new ATOM 0 HA VAL A 89 2.733 4.443 2.673 1.00 0.00 H new ATOM 0 HB VAL A 89 0.582 3.277 2.070 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.201 3.164 3.761 1.00 0.00 H new ATOM 0 HG12 VAL A 89 0.186 2.135 4.192 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -0.049 3.700 5.007 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.860 5.236 2.456 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.307 5.855 3.648 1.00 0.00 H new ATOM 0 HG23 VAL A 89 0.775 5.711 1.937 1.00 0.00 H new ATOM 1391 N LEU A 90 1.864 3.780 5.803 1.00 0.00 N ATOM 1392 CA LEU A 90 1.936 4.278 7.173 1.00 0.00 C ATOM 1393 C LEU A 90 3.300 4.902 7.455 1.00 0.00 C ATOM 1394 O LEU A 90 3.389 6.020 7.961 1.00 0.00 O ATOM 1395 CB LEU A 90 1.666 3.145 8.164 1.00 0.00 C ATOM 1396 CG LEU A 90 0.208 2.706 8.301 1.00 0.00 C ATOM 1397 CD1 LEU A 90 0.105 1.452 9.155 1.00 0.00 C ATOM 1398 CD2 LEU A 90 -0.633 3.828 8.893 1.00 0.00 C ATOM 0 H LEU A 90 1.452 2.851 5.713 1.00 0.00 H new ATOM 0 HA LEU A 90 1.173 5.047 7.294 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.258 2.280 7.866 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.025 3.455 9.146 1.00 0.00 H new ATOM 0 HG LEU A 90 -0.177 2.476 7.308 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.940 1.155 9.241 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.674 0.647 8.690 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.508 1.654 10.148 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -1.668 3.498 8.983 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -0.248 4.090 9.879 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -0.586 4.701 8.241 1.00 0.00 H new ATOM 1410 N ASP A 91 4.358 4.172 7.121 1.00 0.00 N ATOM 1411 CA ASP A 91 5.718 4.654 7.336 1.00 0.00 C ATOM 1412 C ASP A 91 6.060 5.769 6.352 1.00 0.00 C ATOM 1413 O ASP A 91 6.558 6.825 6.745 1.00 0.00 O ATOM 1414 CB ASP A 91 6.718 3.505 7.192 1.00 0.00 C ATOM 1415 CG ASP A 91 6.786 2.638 8.433 1.00 0.00 C ATOM 1416 OD1 ASP A 91 7.568 2.971 9.348 1.00 0.00 O ATOM 1417 OD2 ASP A 91 6.056 1.626 8.490 1.00 0.00 O ATOM 0 H ASP A 91 4.301 3.245 6.700 1.00 0.00 H new ATOM 0 HA ASP A 91 5.780 5.054 8.348 1.00 0.00 H new ATOM 0 HB2 ASP A 91 6.439 2.889 6.337 1.00 0.00 H new ATOM 0 HB3 ASP A 91 7.707 3.912 6.982 1.00 0.00 H new ATOM 1422 N CYS A 92 5.791 5.527 5.074 1.00 0.00 N ATOM 1423 CA CYS A 92 6.072 6.510 4.034 1.00 0.00 C ATOM 1424 C CYS A 92 5.683 7.912 4.492 1.00 0.00 C ATOM 1425 O CYS A 92 6.450 8.850 4.279 1.00 0.00 O ATOM 1426 CB CYS A 92 5.323 6.153 2.750 1.00 0.00 C ATOM 1427 SG CYS A 92 6.132 4.880 1.753 1.00 0.00 S ATOM 0 H CYS A 92 5.379 4.659 4.733 1.00 0.00 H new ATOM 0 HA CYS A 92 7.144 6.497 3.836 1.00 0.00 H new ATOM 0 HB2 CYS A 92 4.320 5.813 3.010 1.00 0.00 H new ATOM 0 HB3 CYS A 92 5.208 7.054 2.147 1.00 0.00 H new ATOM 0 HG CYS A 92 5.857 3.707 2.241 1.00 0.00 H new ATOM 1433 N HIS A 93 4.511 8.024 5.101 1.00 0.00 N ATOM 1434 CA HIS A 93 4.036 9.311 5.578 1.00 0.00 C ATOM 1435 C HIS A 93 4.891 9.767 6.762 1.00 0.00 C ATOM 1436 O HIS A 93 5.548 10.808 6.730 1.00 0.00 O ATOM 1437 CB HIS A 93 2.544 9.249 5.913 1.00 0.00 C ATOM 1438 CG HIS A 93 1.919 10.597 6.183 1.00 0.00 C ATOM 1439 ND1 HIS A 93 1.709 11.084 7.461 1.00 0.00 N ATOM 1440 CD2 HIS A 93 1.462 11.555 5.326 1.00 0.00 C ATOM 1441 CE1 HIS A 93 1.149 12.281 7.367 1.00 0.00 C ATOM 1442 NE2 HIS A 93 0.997 12.571 6.043 1.00 0.00 N ATOM 0 H HIS A 93 3.877 7.244 5.275 1.00 0.00 H new ATOM 0 HA HIS A 93 4.142 10.057 4.790 1.00 0.00 H new ATOM 0 HB2 HIS A 93 2.016 8.774 5.086 1.00 0.00 H new ATOM 0 HB3 HIS A 93 2.404 8.613 6.787 1.00 0.00 H new ATOM 0 HD1 HIS A 93 1.945 10.603 8.329 1.00 0.00 H new ATOM 0 HD2 HIS A 93 1.476 11.497 4.248 1.00 0.00 H new ATOM 0 HE1 HIS A 93 0.863 12.915 8.193 1.00 0.00 H new ATOM 1450 N ARG A 94 4.867 8.959 7.817 1.00 0.00 N ATOM 1451 CA ARG A 94 5.628 9.255 9.024 1.00 0.00 C ATOM 1452 C ARG A 94 7.002 9.821 8.676 1.00 0.00 C ATOM 1453 O ARG A 94 7.334 10.945 9.050 1.00 0.00 O ATOM 1454 CB ARG A 94 5.785 7.994 9.876 1.00 0.00 C ATOM 1455 CG ARG A 94 6.666 8.191 11.099 1.00 0.00 C ATOM 1456 CD ARG A 94 5.964 9.016 12.165 1.00 0.00 C ATOM 1457 NE ARG A 94 6.140 10.450 11.952 1.00 0.00 N ATOM 1458 CZ ARG A 94 5.566 11.381 12.706 1.00 0.00 C ATOM 1459 NH1 ARG A 94 4.784 11.031 13.717 1.00 0.00 N ATOM 1460 NH2 ARG A 94 5.775 12.666 12.449 1.00 0.00 N ATOM 0 H ARG A 94 4.328 8.094 7.860 1.00 0.00 H new ATOM 0 HA ARG A 94 5.079 10.005 9.594 1.00 0.00 H new ATOM 0 HB2 ARG A 94 4.799 7.659 10.199 1.00 0.00 H new ATOM 0 HB3 ARG A 94 6.206 7.199 9.260 1.00 0.00 H new ATOM 0 HG2 ARG A 94 6.940 7.220 11.511 1.00 0.00 H new ATOM 0 HG3 ARG A 94 7.592 8.686 10.806 1.00 0.00 H new ATOM 0 HD2 ARG A 94 4.900 8.778 12.166 1.00 0.00 H new ATOM 0 HD3 ARG A 94 6.352 8.745 13.147 1.00 0.00 H new ATOM 0 HE ARG A 94 6.736 10.753 11.182 1.00 0.00 H new ATOM 0 HH11 ARG A 94 4.621 10.044 13.918 1.00 0.00 H new ATOM 0 HH12 ARG A 94 4.345 11.748 14.294 1.00 0.00 H new ATOM 0 HH21 ARG A 94 6.377 12.939 11.672 1.00 0.00 H new ATOM 0 HH22 ARG A 94 5.334 13.380 13.028 1.00 0.00 H new ATOM 1474 N MET A 95 7.796 9.033 7.959 1.00 0.00 N ATOM 1475 CA MET A 95 9.133 9.455 7.560 1.00 0.00 C ATOM 1476 C MET A 95 9.065 10.487 6.438 1.00 0.00 C ATOM 1477 O MET A 95 10.055 11.152 6.134 1.00 0.00 O ATOM 1478 CB MET A 95 9.959 8.249 7.109 1.00 0.00 C ATOM 1479 CG MET A 95 10.156 7.206 8.197 1.00 0.00 C ATOM 1480 SD MET A 95 11.611 6.179 7.920 1.00 0.00 S ATOM 1481 CE MET A 95 10.862 4.557 7.794 1.00 0.00 C ATOM 0 H MET A 95 7.537 8.099 7.642 1.00 0.00 H new ATOM 0 HA MET A 95 9.615 9.914 8.424 1.00 0.00 H new ATOM 0 HB2 MET A 95 9.469 7.782 6.254 1.00 0.00 H new ATOM 0 HB3 MET A 95 10.935 8.595 6.767 1.00 0.00 H new ATOM 0 HG2 MET A 95 10.247 7.706 9.161 1.00 0.00 H new ATOM 0 HG3 MET A 95 9.272 6.570 8.250 1.00 0.00 H new ATOM 0 HE1 MET A 95 11.515 3.898 7.222 1.00 0.00 H new ATOM 0 HE2 MET A 95 10.716 4.145 8.793 1.00 0.00 H new ATOM 0 HE3 MET A 95 9.899 4.639 7.291 1.00 0.00 H new ATOM 1491 N ARG A 96 7.891 10.615 5.828 1.00 0.00 N ATOM 1492 CA ARG A 96 7.696 11.564 4.739 1.00 0.00 C ATOM 1493 C ARG A 96 8.710 11.329 3.623 1.00 0.00 C ATOM 1494 O ARG A 96 9.268 12.276 3.069 1.00 0.00 O ATOM 1495 CB ARG A 96 7.816 12.999 5.258 1.00 0.00 C ATOM 1496 CG ARG A 96 6.837 13.327 6.373 1.00 0.00 C ATOM 1497 CD ARG A 96 6.686 14.829 6.557 1.00 0.00 C ATOM 1498 NE ARG A 96 5.812 15.157 7.681 1.00 0.00 N ATOM 1499 CZ ARG A 96 6.179 15.052 8.953 1.00 0.00 C ATOM 1500 NH1 ARG A 96 7.398 14.630 9.262 1.00 0.00 N ATOM 1501 NH2 ARG A 96 5.327 15.370 9.919 1.00 0.00 N ATOM 0 H ARG A 96 7.061 10.074 6.070 1.00 0.00 H new ATOM 0 HA ARG A 96 6.695 11.413 4.334 1.00 0.00 H new ATOM 0 HB2 ARG A 96 8.832 13.162 5.618 1.00 0.00 H new ATOM 0 HB3 ARG A 96 7.656 13.690 4.431 1.00 0.00 H new ATOM 0 HG2 ARG A 96 5.866 12.887 6.147 1.00 0.00 H new ATOM 0 HG3 ARG A 96 7.181 12.878 7.305 1.00 0.00 H new ATOM 0 HD2 ARG A 96 7.667 15.275 6.719 1.00 0.00 H new ATOM 0 HD3 ARG A 96 6.283 15.267 5.644 1.00 0.00 H new ATOM 0 HE ARG A 96 4.868 15.485 7.477 1.00 0.00 H new ATOM 0 HH11 ARG A 96 8.056 14.385 8.522 1.00 0.00 H new ATOM 0 HH12 ARG A 96 7.678 14.550 10.240 1.00 0.00 H new ATOM 0 HH21 ARG A 96 4.389 15.695 9.685 1.00 0.00 H new ATOM 0 HH22 ARG A 96 5.610 15.289 10.896 1.00 0.00 H new ATOM 1515 N ARG A 97 8.942 10.061 3.300 1.00 0.00 N ATOM 1516 CA ARG A 97 9.890 9.702 2.252 1.00 0.00 C ATOM 1517 C ARG A 97 9.379 8.514 1.441 1.00 0.00 C ATOM 1518 O ARG A 97 8.443 7.827 1.851 1.00 0.00 O ATOM 1519 CB ARG A 97 11.254 9.369 2.860 1.00 0.00 C ATOM 1520 CG ARG A 97 11.221 8.191 3.821 1.00 0.00 C ATOM 1521 CD ARG A 97 12.620 7.674 4.116 1.00 0.00 C ATOM 1522 NE ARG A 97 13.440 8.671 4.799 1.00 0.00 N ATOM 1523 CZ ARG A 97 14.768 8.680 4.764 1.00 0.00 C ATOM 1524 NH1 ARG A 97 15.422 7.750 4.081 1.00 0.00 N ATOM 1525 NH2 ARG A 97 15.444 9.620 5.411 1.00 0.00 N ATOM 0 H ARG A 97 8.487 9.266 3.748 1.00 0.00 H new ATOM 0 HA ARG A 97 9.997 10.557 1.585 1.00 0.00 H new ATOM 0 HB2 ARG A 97 11.957 9.152 2.056 1.00 0.00 H new ATOM 0 HB3 ARG A 97 11.632 10.246 3.386 1.00 0.00 H new ATOM 0 HG2 ARG A 97 10.740 8.492 4.751 1.00 0.00 H new ATOM 0 HG3 ARG A 97 10.618 7.389 3.395 1.00 0.00 H new ATOM 0 HD2 ARG A 97 12.552 6.777 4.732 1.00 0.00 H new ATOM 0 HD3 ARG A 97 13.104 7.385 3.183 1.00 0.00 H new ATOM 0 HE ARG A 97 12.967 9.401 5.332 1.00 0.00 H new ATOM 0 HH11 ARG A 97 14.905 7.026 3.581 1.00 0.00 H new ATOM 0 HH12 ARG A 97 16.442 7.759 4.055 1.00 0.00 H new ATOM 0 HH21 ARG A 97 14.944 10.337 5.936 1.00 0.00 H new ATOM 0 HH22 ARG A 97 16.464 9.626 5.383 1.00 0.00 H new ATOM 1539 N ARG A 98 10.000 8.280 0.290 1.00 0.00 N ATOM 1540 CA ARG A 98 9.607 7.177 -0.579 1.00 0.00 C ATOM 1541 C ARG A 98 10.385 5.910 -0.236 1.00 0.00 C ATOM 1542 O ARG A 98 11.596 5.835 -0.451 1.00 0.00 O ATOM 1543 CB ARG A 98 9.836 7.548 -2.045 1.00 0.00 C ATOM 1544 CG ARG A 98 9.377 6.479 -3.023 1.00 0.00 C ATOM 1545 CD ARG A 98 9.403 6.987 -4.456 1.00 0.00 C ATOM 1546 NE ARG A 98 9.248 5.904 -5.424 1.00 0.00 N ATOM 1547 CZ ARG A 98 10.201 5.019 -5.696 1.00 0.00 C ATOM 1548 NH1 ARG A 98 11.371 5.089 -5.077 1.00 0.00 N ATOM 1549 NH2 ARG A 98 9.983 4.062 -6.589 1.00 0.00 N ATOM 0 H ARG A 98 10.777 8.839 -0.063 1.00 0.00 H new ATOM 0 HA ARG A 98 8.546 6.984 -0.422 1.00 0.00 H new ATOM 0 HB2 ARG A 98 9.309 8.477 -2.262 1.00 0.00 H new ATOM 0 HB3 ARG A 98 10.898 7.739 -2.201 1.00 0.00 H new ATOM 0 HG2 ARG A 98 10.020 5.603 -2.935 1.00 0.00 H new ATOM 0 HG3 ARG A 98 8.367 6.160 -2.767 1.00 0.00 H new ATOM 0 HD2 ARG A 98 8.605 7.716 -4.597 1.00 0.00 H new ATOM 0 HD3 ARG A 98 10.344 7.505 -4.640 1.00 0.00 H new ATOM 0 HE ARG A 98 8.359 5.823 -5.918 1.00 0.00 H new ATOM 0 HH11 ARG A 98 11.541 5.823 -4.390 1.00 0.00 H new ATOM 0 HH12 ARG A 98 12.101 4.408 -5.288 1.00 0.00 H new ATOM 0 HH21 ARG A 98 9.084 4.006 -7.067 1.00 0.00 H new ATOM 0 HH22 ARG A 98 10.715 3.383 -6.798 1.00 0.00 H new ATOM 1563 N LEU A 99 9.684 4.918 0.300 1.00 0.00 N ATOM 1564 CA LEU A 99 10.309 3.654 0.674 1.00 0.00 C ATOM 1565 C LEU A 99 10.119 2.608 -0.420 1.00 0.00 C ATOM 1566 O LEU A 99 9.114 2.592 -1.131 1.00 0.00 O ATOM 1567 CB LEU A 99 9.722 3.142 1.991 1.00 0.00 C ATOM 1568 CG LEU A 99 9.790 4.107 3.175 1.00 0.00 C ATOM 1569 CD1 LEU A 99 9.063 3.527 4.378 1.00 0.00 C ATOM 1570 CD2 LEU A 99 11.238 4.420 3.525 1.00 0.00 C ATOM 0 H LEU A 99 8.682 4.964 0.486 1.00 0.00 H new ATOM 0 HA LEU A 99 11.377 3.829 0.803 1.00 0.00 H new ATOM 0 HB2 LEU A 99 8.678 2.878 1.822 1.00 0.00 H new ATOM 0 HB3 LEU A 99 10.242 2.224 2.265 1.00 0.00 H new ATOM 0 HG LEU A 99 9.296 5.036 2.891 1.00 0.00 H new ATOM 0 HD11 LEU A 99 9.122 4.227 5.211 1.00 0.00 H new ATOM 0 HD12 LEU A 99 8.018 3.354 4.123 1.00 0.00 H new ATOM 0 HD13 LEU A 99 9.528 2.583 4.664 1.00 0.00 H new ATOM 0 HD21 LEU A 99 11.268 5.108 4.370 1.00 0.00 H new ATOM 0 HD22 LEU A 99 11.756 3.498 3.790 1.00 0.00 H new ATOM 0 HD23 LEU A 99 11.729 4.878 2.666 1.00 0.00 H new ATOM 1582 N PRO A 100 11.107 1.711 -0.560 1.00 0.00 N ATOM 1583 CA PRO A 100 11.071 0.643 -1.563 1.00 0.00 C ATOM 1584 C PRO A 100 10.022 -0.416 -1.245 1.00 0.00 C ATOM 1585 O PRO A 100 10.097 -1.090 -0.218 1.00 0.00 O ATOM 1586 CB PRO A 100 12.477 0.042 -1.491 1.00 0.00 C ATOM 1587 CG PRO A 100 12.950 0.348 -0.112 1.00 0.00 C ATOM 1588 CD PRO A 100 12.335 1.670 0.253 1.00 0.00 C ATOM 0 HA PRO A 100 10.803 1.020 -2.550 1.00 0.00 H new ATOM 0 HB2 PRO A 100 12.458 -1.032 -1.674 1.00 0.00 H new ATOM 0 HB3 PRO A 100 13.134 0.481 -2.241 1.00 0.00 H new ATOM 0 HG2 PRO A 100 12.645 -0.431 0.587 1.00 0.00 H new ATOM 0 HG3 PRO A 100 14.038 0.400 -0.075 1.00 0.00 H new ATOM 0 HD2 PRO A 100 12.114 1.730 1.319 1.00 0.00 H new ATOM 0 HD3 PRO A 100 13.000 2.501 0.019 1.00 0.00 H new ATOM 1596 N SER A 101 9.043 -0.559 -2.134 1.00 0.00 N ATOM 1597 CA SER A 101 7.976 -1.535 -1.946 1.00 0.00 C ATOM 1598 C SER A 101 8.532 -2.955 -1.949 1.00 0.00 C ATOM 1599 O SER A 101 7.976 -3.852 -1.316 1.00 0.00 O ATOM 1600 CB SER A 101 6.921 -1.385 -3.043 1.00 0.00 C ATOM 1601 OG SER A 101 5.694 -1.981 -2.655 1.00 0.00 O ATOM 0 H SER A 101 8.967 -0.011 -2.991 1.00 0.00 H new ATOM 0 HA SER A 101 7.512 -1.348 -0.978 1.00 0.00 H new ATOM 0 HB2 SER A 101 6.764 -0.328 -3.259 1.00 0.00 H new ATOM 0 HB3 SER A 101 7.279 -1.848 -3.962 1.00 0.00 H new ATOM 0 HG SER A 101 5.282 -2.416 -3.430 1.00 0.00 H new ATOM 1607 N GLN A 102 9.634 -3.151 -2.666 1.00 0.00 N ATOM 1608 CA GLN A 102 10.265 -4.462 -2.753 1.00 0.00 C ATOM 1609 C GLN A 102 10.510 -5.042 -1.364 1.00 0.00 C ATOM 1610 O GLN A 102 10.564 -6.259 -1.189 1.00 0.00 O ATOM 1611 CB GLN A 102 11.587 -4.366 -3.518 1.00 0.00 C ATOM 1612 CG GLN A 102 12.384 -5.660 -3.520 1.00 0.00 C ATOM 1613 CD GLN A 102 13.319 -5.768 -4.709 1.00 0.00 C ATOM 1614 OE1 GLN A 102 13.171 -6.654 -5.551 1.00 0.00 O ATOM 1615 NE2 GLN A 102 14.288 -4.863 -4.784 1.00 0.00 N ATOM 0 H GLN A 102 10.108 -2.419 -3.195 1.00 0.00 H new ATOM 0 HA GLN A 102 9.589 -5.127 -3.291 1.00 0.00 H new ATOM 0 HB2 GLN A 102 11.381 -4.074 -4.548 1.00 0.00 H new ATOM 0 HB3 GLN A 102 12.195 -3.575 -3.078 1.00 0.00 H new ATOM 0 HG2 GLN A 102 12.964 -5.726 -2.599 1.00 0.00 H new ATOM 0 HG3 GLN A 102 11.696 -6.506 -3.525 1.00 0.00 H new ATOM 0 HE21 GLN A 102 14.373 -4.146 -4.063 1.00 0.00 H new ATOM 0 HE22 GLN A 102 14.947 -4.885 -5.562 1.00 0.00 H new ATOM 1624 N ARG A 103 10.658 -4.162 -0.379 1.00 0.00 N ATOM 1625 CA ARG A 103 10.899 -4.586 0.995 1.00 0.00 C ATOM 1626 C ARG A 103 9.592 -4.973 1.681 1.00 0.00 C ATOM 1627 O ARG A 103 9.581 -5.792 2.601 1.00 0.00 O ATOM 1628 CB ARG A 103 11.590 -3.471 1.782 1.00 0.00 C ATOM 1629 CG ARG A 103 13.037 -3.245 1.376 1.00 0.00 C ATOM 1630 CD ARG A 103 13.776 -2.394 2.396 1.00 0.00 C ATOM 1631 NE ARG A 103 15.215 -2.642 2.376 1.00 0.00 N ATOM 1632 CZ ARG A 103 15.765 -3.805 2.706 1.00 0.00 C ATOM 1633 NH1 ARG A 103 15.000 -4.822 3.079 1.00 0.00 N ATOM 1634 NH2 ARG A 103 17.083 -3.953 2.663 1.00 0.00 N ATOM 0 H ARG A 103 10.615 -3.151 -0.507 1.00 0.00 H new ATOM 0 HA ARG A 103 11.550 -5.460 0.970 1.00 0.00 H new ATOM 0 HB2 ARG A 103 11.034 -2.543 1.645 1.00 0.00 H new ATOM 0 HB3 ARG A 103 11.553 -3.711 2.845 1.00 0.00 H new ATOM 0 HG2 ARG A 103 13.540 -4.206 1.269 1.00 0.00 H new ATOM 0 HG3 ARG A 103 13.071 -2.758 0.402 1.00 0.00 H new ATOM 0 HD2 ARG A 103 13.587 -1.340 2.194 1.00 0.00 H new ATOM 0 HD3 ARG A 103 13.386 -2.602 3.392 1.00 0.00 H new ATOM 0 HE ARG A 103 15.832 -1.880 2.093 1.00 0.00 H new ATOM 0 HH11 ARG A 103 13.986 -4.712 3.113 1.00 0.00 H new ATOM 0 HH12 ARG A 103 15.425 -5.714 3.332 1.00 0.00 H new ATOM 0 HH21 ARG A 103 17.675 -3.173 2.376 1.00 0.00 H new ATOM 0 HH22 ARG A 103 17.504 -4.847 2.917 1.00 0.00 H new ATOM 1648 N TYR A 104 8.494 -4.380 1.228 1.00 0.00 N ATOM 1649 CA TYR A 104 7.182 -4.660 1.800 1.00 0.00 C ATOM 1650 C TYR A 104 6.344 -5.511 0.851 1.00 0.00 C ATOM 1651 O TYR A 104 5.124 -5.358 0.773 1.00 0.00 O ATOM 1652 CB TYR A 104 6.449 -3.354 2.114 1.00 0.00 C ATOM 1653 CG TYR A 104 7.205 -2.448 3.060 1.00 0.00 C ATOM 1654 CD1 TYR A 104 8.109 -1.509 2.580 1.00 0.00 C ATOM 1655 CD2 TYR A 104 7.014 -2.532 4.434 1.00 0.00 C ATOM 1656 CE1 TYR A 104 8.802 -0.680 3.441 1.00 0.00 C ATOM 1657 CE2 TYR A 104 7.702 -1.706 5.301 1.00 0.00 C ATOM 1658 CZ TYR A 104 8.594 -0.782 4.800 1.00 0.00 C ATOM 1659 OH TYR A 104 9.282 0.042 5.662 1.00 0.00 O ATOM 0 H TYR A 104 8.486 -3.702 0.466 1.00 0.00 H new ATOM 0 HA TYR A 104 7.329 -5.217 2.725 1.00 0.00 H new ATOM 0 HB2 TYR A 104 6.262 -2.819 1.183 1.00 0.00 H new ATOM 0 HB3 TYR A 104 5.477 -3.588 2.547 1.00 0.00 H new ATOM 0 HD1 TYR A 104 8.273 -1.426 1.516 1.00 0.00 H new ATOM 0 HD2 TYR A 104 6.316 -3.255 4.830 1.00 0.00 H new ATOM 0 HE1 TYR A 104 9.503 0.044 3.052 1.00 0.00 H new ATOM 0 HE2 TYR A 104 7.542 -1.784 6.366 1.00 0.00 H new ATOM 0 HH TYR A 104 9.019 -0.157 6.585 1.00 0.00 H new ATOM 1669 N LEU A 105 7.007 -6.409 0.131 1.00 0.00 N ATOM 1670 CA LEU A 105 6.325 -7.286 -0.814 1.00 0.00 C ATOM 1671 C LEU A 105 5.693 -8.474 -0.096 1.00 0.00 C ATOM 1672 O LEU A 105 6.390 -9.297 0.495 1.00 0.00 O ATOM 1673 CB LEU A 105 7.306 -7.783 -1.879 1.00 0.00 C ATOM 1674 CG LEU A 105 7.482 -6.882 -3.102 1.00 0.00 C ATOM 1675 CD1 LEU A 105 8.538 -7.451 -4.036 1.00 0.00 C ATOM 1676 CD2 LEU A 105 6.158 -6.710 -3.832 1.00 0.00 C ATOM 0 H LEU A 105 8.016 -6.549 0.184 1.00 0.00 H new ATOM 0 HA LEU A 105 5.533 -6.713 -1.297 1.00 0.00 H new ATOM 0 HB2 LEU A 105 8.281 -7.921 -1.411 1.00 0.00 H new ATOM 0 HB3 LEU A 105 6.975 -8.764 -2.220 1.00 0.00 H new ATOM 0 HG LEU A 105 7.817 -5.902 -2.763 1.00 0.00 H new ATOM 0 HD11 LEU A 105 8.650 -6.797 -4.901 1.00 0.00 H new ATOM 0 HD12 LEU A 105 9.490 -7.522 -3.509 1.00 0.00 H new ATOM 0 HD13 LEU A 105 8.233 -8.443 -4.369 1.00 0.00 H new ATOM 0 HD21 LEU A 105 6.302 -6.066 -4.700 1.00 0.00 H new ATOM 0 HD22 LEU A 105 5.794 -7.684 -4.159 1.00 0.00 H new ATOM 0 HD23 LEU A 105 5.429 -6.257 -3.161 1.00 0.00 H new ATOM 1688 N MET A 106 4.368 -8.556 -0.153 1.00 0.00 N ATOM 1689 CA MET A 106 3.641 -9.645 0.490 1.00 0.00 C ATOM 1690 C MET A 106 3.690 -10.909 -0.363 1.00 0.00 C ATOM 1691 O MET A 106 4.108 -11.968 0.103 1.00 0.00 O ATOM 1692 CB MET A 106 2.188 -9.240 0.739 1.00 0.00 C ATOM 1693 CG MET A 106 1.979 -8.502 2.052 1.00 0.00 C ATOM 1694 SD MET A 106 0.459 -7.532 2.070 1.00 0.00 S ATOM 1695 CE MET A 106 -0.467 -8.378 3.349 1.00 0.00 C ATOM 0 H MET A 106 3.776 -7.882 -0.638 1.00 0.00 H new ATOM 0 HA MET A 106 4.121 -9.854 1.446 1.00 0.00 H new ATOM 0 HB2 MET A 106 1.850 -8.607 -0.082 1.00 0.00 H new ATOM 0 HB3 MET A 106 1.564 -10.134 0.731 1.00 0.00 H new ATOM 0 HG2 MET A 106 1.955 -9.223 2.869 1.00 0.00 H new ATOM 0 HG3 MET A 106 2.828 -7.843 2.233 1.00 0.00 H new ATOM 0 HE1 MET A 106 -1.101 -7.663 3.873 1.00 0.00 H new ATOM 0 HE2 MET A 106 -1.089 -9.151 2.897 1.00 0.00 H new ATOM 0 HE3 MET A 106 0.224 -8.836 4.056 1.00 0.00 H new ATOM 1705 N ALA A 107 3.259 -10.789 -1.615 1.00 0.00 N ATOM 1706 CA ALA A 107 3.255 -11.922 -2.533 1.00 0.00 C ATOM 1707 C ALA A 107 3.662 -11.491 -3.938 1.00 0.00 C ATOM 1708 O ALA A 107 3.001 -10.658 -4.558 1.00 0.00 O ATOM 1709 CB ALA A 107 1.883 -12.578 -2.556 1.00 0.00 C ATOM 0 H ALA A 107 2.908 -9.919 -2.016 1.00 0.00 H new ATOM 0 HA ALA A 107 3.986 -12.648 -2.178 1.00 0.00 H new ATOM 0 HB1 ALA A 107 1.895 -13.422 -3.245 1.00 0.00 H new ATOM 0 HB2 ALA A 107 1.631 -12.930 -1.556 1.00 0.00 H new ATOM 0 HB3 ALA A 107 1.138 -11.853 -2.883 1.00 0.00 H new ATOM 1715 N GLY A 108 4.754 -12.063 -4.435 1.00 0.00 N ATOM 1716 CA GLY A 108 5.230 -11.724 -5.764 1.00 0.00 C ATOM 1717 C GLY A 108 6.364 -12.621 -6.219 1.00 0.00 C ATOM 1718 O GLY A 108 7.183 -13.076 -5.421 1.00 0.00 O ATOM 0 H GLY A 108 5.318 -12.755 -3.941 1.00 0.00 H new ATOM 0 HA2 GLY A 108 4.405 -11.799 -6.472 1.00 0.00 H new ATOM 0 HA3 GLY A 108 5.565 -10.687 -5.773 1.00 0.00 H new ATOM 1722 N PRO A 109 6.422 -12.888 -7.533 1.00 0.00 N ATOM 1723 CA PRO A 109 7.459 -13.739 -8.123 1.00 0.00 C ATOM 1724 C PRO A 109 8.834 -13.080 -8.097 1.00 0.00 C ATOM 1725 O PRO A 109 9.845 -13.740 -7.864 1.00 0.00 O ATOM 1726 CB PRO A 109 6.984 -13.929 -9.565 1.00 0.00 C ATOM 1727 CG PRO A 109 6.139 -12.734 -9.846 1.00 0.00 C ATOM 1728 CD PRO A 109 5.479 -12.379 -8.542 1.00 0.00 C ATOM 0 HA PRO A 109 7.581 -14.673 -7.574 1.00 0.00 H new ATOM 0 HB2 PRO A 109 7.826 -13.989 -10.254 1.00 0.00 H new ATOM 0 HB3 PRO A 109 6.414 -14.852 -9.676 1.00 0.00 H new ATOM 0 HG2 PRO A 109 6.744 -11.906 -10.215 1.00 0.00 H new ATOM 0 HG3 PRO A 109 5.396 -12.953 -10.613 1.00 0.00 H new ATOM 0 HD2 PRO A 109 5.330 -11.303 -8.447 1.00 0.00 H new ATOM 0 HD3 PRO A 109 4.499 -12.846 -8.448 1.00 0.00 H new ATOM 1736 N GLY A 110 8.863 -11.772 -8.338 1.00 0.00 N ATOM 1737 CA GLY A 110 10.119 -11.046 -8.337 1.00 0.00 C ATOM 1738 C GLY A 110 9.970 -9.628 -8.853 1.00 0.00 C ATOM 1739 O GLY A 110 8.859 -9.174 -9.127 1.00 0.00 O ATOM 0 H GLY A 110 8.039 -11.203 -8.534 1.00 0.00 H new ATOM 0 HA2 GLY A 110 10.519 -11.020 -7.324 1.00 0.00 H new ATOM 0 HA3 GLY A 110 10.844 -11.579 -8.953 1.00 0.00 H new ATOM 1743 N SER A 111 11.091 -8.927 -8.985 1.00 0.00 N ATOM 1744 CA SER A 111 11.079 -7.550 -9.466 1.00 0.00 C ATOM 1745 C SER A 111 11.871 -7.422 -10.764 1.00 0.00 C ATOM 1746 O SER A 111 12.412 -6.360 -11.072 1.00 0.00 O ATOM 1747 CB SER A 111 11.660 -6.612 -8.406 1.00 0.00 C ATOM 1748 OG SER A 111 13.036 -6.873 -8.194 1.00 0.00 O ATOM 0 H SER A 111 12.019 -9.289 -8.766 1.00 0.00 H new ATOM 0 HA SER A 111 10.044 -7.268 -9.662 1.00 0.00 H new ATOM 0 HB2 SER A 111 11.527 -5.577 -8.720 1.00 0.00 H new ATOM 0 HB3 SER A 111 11.115 -6.734 -7.470 1.00 0.00 H new ATOM 0 HG SER A 111 13.194 -7.044 -7.242 1.00 0.00 H new ATOM 1754 N SER A 112 11.933 -8.512 -11.522 1.00 0.00 N ATOM 1755 CA SER A 112 12.662 -8.524 -12.785 1.00 0.00 C ATOM 1756 C SER A 112 12.182 -7.400 -13.699 1.00 0.00 C ATOM 1757 O SER A 112 12.980 -6.604 -14.193 1.00 0.00 O ATOM 1758 CB SER A 112 12.490 -9.874 -13.484 1.00 0.00 C ATOM 1759 OG SER A 112 13.003 -9.833 -14.805 1.00 0.00 O ATOM 0 H SER A 112 11.487 -9.398 -11.284 1.00 0.00 H new ATOM 0 HA SER A 112 13.719 -8.367 -12.569 1.00 0.00 H new ATOM 0 HB2 SER A 112 13.003 -10.650 -12.915 1.00 0.00 H new ATOM 0 HB3 SER A 112 11.434 -10.142 -13.509 1.00 0.00 H new ATOM 0 HG SER A 112 12.883 -10.708 -15.230 1.00 0.00 H new ATOM 1765 N SER A 113 10.872 -7.344 -13.920 1.00 0.00 N ATOM 1766 CA SER A 113 10.285 -6.321 -14.777 1.00 0.00 C ATOM 1767 C SER A 113 10.051 -5.029 -14.000 1.00 0.00 C ATOM 1768 O SER A 113 9.033 -4.361 -14.180 1.00 0.00 O ATOM 1769 CB SER A 113 8.966 -6.819 -15.371 1.00 0.00 C ATOM 1770 OG SER A 113 8.556 -6.006 -16.457 1.00 0.00 O ATOM 0 H SER A 113 10.198 -7.995 -13.517 1.00 0.00 H new ATOM 0 HA SER A 113 10.985 -6.115 -15.587 1.00 0.00 H new ATOM 0 HB2 SER A 113 9.081 -7.849 -15.707 1.00 0.00 H new ATOM 0 HB3 SER A 113 8.194 -6.819 -14.601 1.00 0.00 H new ATOM 0 HG SER A 113 8.500 -5.073 -16.164 1.00 0.00 H new ATOM 1776 N GLU A 114 11.000 -4.685 -13.136 1.00 0.00 N ATOM 1777 CA GLU A 114 10.897 -3.474 -12.330 1.00 0.00 C ATOM 1778 C GLU A 114 11.131 -2.231 -13.183 1.00 0.00 C ATOM 1779 O GLU A 114 12.233 -1.684 -13.210 1.00 0.00 O ATOM 1780 CB GLU A 114 11.904 -3.513 -11.179 1.00 0.00 C ATOM 1781 CG GLU A 114 11.951 -2.230 -10.367 1.00 0.00 C ATOM 1782 CD GLU A 114 13.296 -2.007 -9.704 1.00 0.00 C ATOM 1783 OE1 GLU A 114 14.327 -2.322 -10.336 1.00 0.00 O ATOM 1784 OE2 GLU A 114 13.319 -1.519 -8.556 1.00 0.00 O ATOM 0 H GLU A 114 11.849 -5.227 -12.976 1.00 0.00 H new ATOM 0 HA GLU A 114 9.888 -3.427 -11.919 1.00 0.00 H new ATOM 0 HB2 GLU A 114 11.655 -4.343 -10.517 1.00 0.00 H new ATOM 0 HB3 GLU A 114 12.896 -3.714 -11.582 1.00 0.00 H new ATOM 0 HG2 GLU A 114 11.726 -1.385 -11.017 1.00 0.00 H new ATOM 0 HG3 GLU A 114 11.174 -2.260 -9.603 1.00 0.00 H new ATOM 1791 N GLU A 115 10.087 -1.793 -13.879 1.00 0.00 N ATOM 1792 CA GLU A 115 10.180 -0.616 -14.735 1.00 0.00 C ATOM 1793 C GLU A 115 11.069 0.450 -14.100 1.00 0.00 C ATOM 1794 O GLU A 115 11.121 0.582 -12.877 1.00 0.00 O ATOM 1795 CB GLU A 115 8.787 -0.040 -15.001 1.00 0.00 C ATOM 1796 CG GLU A 115 7.882 -0.975 -15.785 1.00 0.00 C ATOM 1797 CD GLU A 115 6.432 -0.529 -15.774 1.00 0.00 C ATOM 1798 OE1 GLU A 115 6.113 0.469 -16.452 1.00 0.00 O ATOM 1799 OE2 GLU A 115 5.618 -1.180 -15.087 1.00 0.00 O ATOM 0 H GLU A 115 9.168 -2.235 -13.867 1.00 0.00 H new ATOM 0 HA GLU A 115 10.627 -0.921 -15.681 1.00 0.00 H new ATOM 0 HB2 GLU A 115 8.313 0.197 -14.049 1.00 0.00 H new ATOM 0 HB3 GLU A 115 8.889 0.897 -15.548 1.00 0.00 H new ATOM 0 HG2 GLU A 115 8.232 -1.034 -16.816 1.00 0.00 H new ATOM 0 HG3 GLU A 115 7.953 -1.979 -15.366 1.00 0.00 H new ATOM 1806 N ASP A 116 11.768 1.205 -14.940 1.00 0.00 N ATOM 1807 CA ASP A 116 12.656 2.259 -14.462 1.00 0.00 C ATOM 1808 C ASP A 116 11.869 3.342 -13.731 1.00 0.00 C ATOM 1809 O ASP A 116 10.639 3.311 -13.695 1.00 0.00 O ATOM 1810 CB ASP A 116 13.428 2.874 -15.631 1.00 0.00 C ATOM 1811 CG ASP A 116 14.618 3.693 -15.172 1.00 0.00 C ATOM 1812 OD1 ASP A 116 15.372 3.208 -14.302 1.00 0.00 O ATOM 1813 OD2 ASP A 116 14.795 4.819 -15.682 1.00 0.00 O ATOM 0 H ASP A 116 11.737 1.107 -15.955 1.00 0.00 H new ATOM 0 HA ASP A 116 13.364 1.814 -13.763 1.00 0.00 H new ATOM 0 HB2 ASP A 116 13.771 2.080 -16.294 1.00 0.00 H new ATOM 0 HB3 ASP A 116 12.758 3.507 -16.212 1.00 0.00 H new ATOM 1818 N GLU A 117 12.587 4.297 -13.149 1.00 0.00 N ATOM 1819 CA GLU A 117 11.955 5.388 -12.416 1.00 0.00 C ATOM 1820 C GLU A 117 11.993 6.681 -13.226 1.00 0.00 C ATOM 1821 O GLU A 117 11.026 7.442 -13.247 1.00 0.00 O ATOM 1822 CB GLU A 117 12.650 5.597 -11.069 1.00 0.00 C ATOM 1823 CG GLU A 117 14.105 6.018 -11.192 1.00 0.00 C ATOM 1824 CD GLU A 117 14.271 7.522 -11.291 1.00 0.00 C ATOM 1825 OE1 GLU A 117 13.391 8.250 -10.786 1.00 0.00 O ATOM 1826 OE2 GLU A 117 15.280 7.971 -11.873 1.00 0.00 O ATOM 0 H GLU A 117 13.606 4.338 -13.171 1.00 0.00 H new ATOM 0 HA GLU A 117 10.913 5.119 -12.241 1.00 0.00 H new ATOM 0 HB2 GLU A 117 12.108 6.355 -10.504 1.00 0.00 H new ATOM 0 HB3 GLU A 117 12.596 4.672 -10.495 1.00 0.00 H new ATOM 0 HG2 GLU A 117 14.660 5.651 -10.328 1.00 0.00 H new ATOM 0 HG3 GLU A 117 14.542 5.549 -12.074 1.00 0.00 H new ATOM 1833 N ALA A 118 13.118 6.922 -13.892 1.00 0.00 N ATOM 1834 CA ALA A 118 13.283 8.121 -14.704 1.00 0.00 C ATOM 1835 C ALA A 118 12.552 7.986 -16.036 1.00 0.00 C ATOM 1836 O ALA A 118 13.135 7.564 -17.034 1.00 0.00 O ATOM 1837 CB ALA A 118 14.760 8.403 -14.936 1.00 0.00 C ATOM 0 H ALA A 118 13.928 6.303 -13.885 1.00 0.00 H new ATOM 0 HA ALA A 118 12.846 8.960 -14.162 1.00 0.00 H new ATOM 0 HB1 ALA A 118 14.868 9.301 -15.544 1.00 0.00 H new ATOM 0 HB2 ALA A 118 15.257 8.552 -13.977 1.00 0.00 H new ATOM 0 HB3 ALA A 118 15.215 7.558 -15.453 1.00 0.00 H new ATOM 1843 N SER A 119 11.273 8.347 -16.043 1.00 0.00 N ATOM 1844 CA SER A 119 10.462 8.262 -17.252 1.00 0.00 C ATOM 1845 C SER A 119 9.175 9.067 -17.101 1.00 0.00 C ATOM 1846 O SER A 119 8.489 8.924 -16.089 1.00 0.00 O ATOM 1847 CB SER A 119 10.129 6.802 -17.566 1.00 0.00 C ATOM 1848 OG SER A 119 9.748 6.646 -18.922 1.00 0.00 O ATOM 0 H SER A 119 10.776 8.701 -15.226 1.00 0.00 H new ATOM 0 HA SER A 119 11.038 8.682 -18.076 1.00 0.00 H new ATOM 0 HB2 SER A 119 10.995 6.175 -17.354 1.00 0.00 H new ATOM 0 HB3 SER A 119 9.322 6.462 -16.917 1.00 0.00 H new ATOM 0 HG SER A 119 9.542 5.704 -19.098 1.00 0.00 H new ATOM 1854 N HIS A 120 8.879 9.887 -18.098 1.00 0.00 N ATOM 1855 CA HIS A 120 7.678 10.705 -18.064 1.00 0.00 C ATOM 1856 C HIS A 120 6.515 9.934 -18.691 1.00 0.00 C ATOM 1857 O HIS A 120 6.553 9.525 -19.851 1.00 0.00 O ATOM 1858 CB HIS A 120 7.923 12.058 -18.734 1.00 0.00 C ATOM 1859 CG HIS A 120 9.068 12.840 -18.138 1.00 0.00 C ATOM 1860 ND1 HIS A 120 10.371 12.726 -18.592 1.00 0.00 N ATOM 1861 CD2 HIS A 120 9.094 13.749 -17.122 1.00 0.00 C ATOM 1862 CE1 HIS A 120 11.137 13.533 -17.873 1.00 0.00 C ATOM 1863 NE2 HIS A 120 10.344 14.166 -16.962 1.00 0.00 N ATOM 0 H HIS A 120 9.450 10.003 -18.935 1.00 0.00 H new ATOM 0 HA HIS A 120 7.410 10.921 -17.030 1.00 0.00 H new ATOM 0 HB2 HIS A 120 8.120 11.897 -19.794 1.00 0.00 H new ATOM 0 HB3 HIS A 120 7.014 12.656 -18.666 1.00 0.00 H new ATOM 0 HD2 HIS A 120 8.241 14.075 -16.545 1.00 0.00 H new ATOM 0 HE1 HIS A 120 12.203 13.666 -17.988 1.00 0.00 H new ATOM 0 HE2 HIS A 120 10.659 14.847 -16.272 1.00 0.00 H new ATOM 1871 N SER A 121 5.471 9.744 -17.890 1.00 0.00 N ATOM 1872 CA SER A 121 4.285 9.024 -18.339 1.00 0.00 C ATOM 1873 C SER A 121 3.843 9.509 -19.717 1.00 0.00 C ATOM 1874 O SER A 121 3.809 8.740 -20.676 1.00 0.00 O ATOM 1875 CB SER A 121 3.144 9.200 -17.334 1.00 0.00 C ATOM 1876 OG SER A 121 3.416 8.508 -16.128 1.00 0.00 O ATOM 0 H SER A 121 5.423 10.078 -16.928 1.00 0.00 H new ATOM 0 HA SER A 121 4.538 7.966 -18.409 1.00 0.00 H new ATOM 0 HB2 SER A 121 3.000 10.260 -17.124 1.00 0.00 H new ATOM 0 HB3 SER A 121 2.214 8.831 -17.767 1.00 0.00 H new ATOM 0 HG SER A 121 2.673 8.637 -15.502 1.00 0.00 H new ATOM 1882 N GLY A 122 3.506 10.792 -19.805 1.00 0.00 N ATOM 1883 CA GLY A 122 3.071 11.359 -21.069 1.00 0.00 C ATOM 1884 C GLY A 122 2.249 12.619 -20.886 1.00 0.00 C ATOM 1885 O GLY A 122 1.188 12.769 -21.490 1.00 0.00 O ATOM 0 H GLY A 122 3.526 11.449 -19.025 1.00 0.00 H new ATOM 0 HA2 GLY A 122 3.944 11.584 -21.682 1.00 0.00 H new ATOM 0 HA3 GLY A 122 2.482 10.620 -21.612 1.00 0.00 H new ATOM 1889 N GLY A 123 2.740 13.528 -20.048 1.00 0.00 N ATOM 1890 CA GLY A 123 2.030 14.769 -19.801 1.00 0.00 C ATOM 1891 C GLY A 123 0.989 14.634 -18.707 1.00 0.00 C ATOM 1892 O GLY A 123 -0.067 14.038 -18.916 1.00 0.00 O ATOM 0 H GLY A 123 3.616 13.427 -19.536 1.00 0.00 H new ATOM 0 HA2 GLY A 123 2.745 15.544 -19.524 1.00 0.00 H new ATOM 0 HA3 GLY A 123 1.545 15.096 -20.721 1.00 0.00 H new ATOM 1896 N SER A 124 1.289 15.188 -17.536 1.00 0.00 N ATOM 1897 CA SER A 124 0.374 15.121 -16.403 1.00 0.00 C ATOM 1898 C SER A 124 -0.519 16.357 -16.353 1.00 0.00 C ATOM 1899 O SER A 124 -0.173 17.362 -15.732 1.00 0.00 O ATOM 1900 CB SER A 124 1.157 14.991 -15.095 1.00 0.00 C ATOM 1901 OG SER A 124 1.909 13.790 -15.069 1.00 0.00 O ATOM 0 H SER A 124 2.158 15.688 -17.348 1.00 0.00 H new ATOM 0 HA SER A 124 -0.258 14.242 -16.529 1.00 0.00 H new ATOM 0 HB2 SER A 124 1.825 15.845 -14.981 1.00 0.00 H new ATOM 0 HB3 SER A 124 0.467 15.011 -14.251 1.00 0.00 H new ATOM 0 HG SER A 124 2.402 13.731 -14.224 1.00 0.00 H new ATOM 1907 N GLY A 125 -1.671 16.275 -17.011 1.00 0.00 N ATOM 1908 CA GLY A 125 -2.596 17.393 -17.030 1.00 0.00 C ATOM 1909 C GLY A 125 -4.041 16.951 -16.906 1.00 0.00 C ATOM 1910 O GLY A 125 -4.424 15.873 -17.360 1.00 0.00 O ATOM 0 H GLY A 125 -1.980 15.454 -17.531 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -2.356 18.073 -16.213 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -2.468 17.951 -17.958 1.00 0.00 H new ATOM 1914 N PRO A 126 -4.870 17.797 -16.276 1.00 0.00 N ATOM 1915 CA PRO A 126 -6.294 17.509 -16.077 1.00 0.00 C ATOM 1916 C PRO A 126 -7.081 17.553 -17.382 1.00 0.00 C ATOM 1917 O PRO A 126 -7.590 18.603 -17.775 1.00 0.00 O ATOM 1918 CB PRO A 126 -6.754 18.625 -15.136 1.00 0.00 C ATOM 1919 CG PRO A 126 -5.800 19.743 -15.381 1.00 0.00 C ATOM 1920 CD PRO A 126 -4.482 19.099 -15.709 1.00 0.00 C ATOM 0 HA PRO A 126 -6.456 16.506 -15.681 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -7.780 18.926 -15.350 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -6.727 18.302 -14.095 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -6.141 20.374 -16.202 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -5.714 20.382 -14.502 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -3.911 19.694 -16.422 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -3.860 18.982 -14.821 1.00 0.00 H new ATOM 1928 N SER A 127 -7.179 16.408 -18.049 1.00 0.00 N ATOM 1929 CA SER A 127 -7.903 16.317 -19.312 1.00 0.00 C ATOM 1930 C SER A 127 -9.359 16.736 -19.135 1.00 0.00 C ATOM 1931 O SER A 127 -9.839 17.651 -19.803 1.00 0.00 O ATOM 1932 CB SER A 127 -7.833 14.892 -19.863 1.00 0.00 C ATOM 1933 OG SER A 127 -6.501 14.534 -20.185 1.00 0.00 O ATOM 0 H SER A 127 -6.766 15.529 -17.736 1.00 0.00 H new ATOM 0 HA SER A 127 -7.432 16.996 -20.022 1.00 0.00 H new ATOM 0 HB2 SER A 127 -8.232 14.194 -19.127 1.00 0.00 H new ATOM 0 HB3 SER A 127 -8.459 14.811 -20.751 1.00 0.00 H new ATOM 0 HG SER A 127 -6.484 13.618 -20.533 1.00 0.00 H new ATOM 1939 N SER A 128 -10.057 16.059 -18.228 1.00 0.00 N ATOM 1940 CA SER A 128 -11.459 16.357 -17.965 1.00 0.00 C ATOM 1941 C SER A 128 -11.595 17.387 -16.847 1.00 0.00 C ATOM 1942 O SER A 128 -12.224 18.430 -17.022 1.00 0.00 O ATOM 1943 CB SER A 128 -12.213 15.079 -17.590 1.00 0.00 C ATOM 1944 OG SER A 128 -13.607 15.316 -17.503 1.00 0.00 O ATOM 0 H SER A 128 -9.674 15.301 -17.664 1.00 0.00 H new ATOM 0 HA SER A 128 -11.893 16.773 -18.874 1.00 0.00 H new ATOM 0 HB2 SER A 128 -12.018 14.307 -18.334 1.00 0.00 H new ATOM 0 HB3 SER A 128 -11.845 14.703 -16.636 1.00 0.00 H new ATOM 0 HG SER A 128 -14.066 14.484 -17.264 1.00 0.00 H new ATOM 1950 N GLY A 129 -11.000 17.085 -15.697 1.00 0.00 N ATOM 1951 CA GLY A 129 -11.066 17.993 -14.567 1.00 0.00 C ATOM 1952 C GLY A 129 -11.102 17.264 -13.239 1.00 0.00 C ATOM 1953 O GLY A 129 -12.161 16.820 -12.795 1.00 0.00 O ATOM 0 H GLY A 129 -10.474 16.228 -15.528 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -10.203 18.659 -14.589 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -11.954 18.618 -14.659 1.00 0.00 H new TER 1957 GLY A 129