USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 693 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 89 LYS NZ :NH3+ 158:sc= 1.24 (180deg=0) USER MOD Set 1.2: A 130 HIS : no HE2:sc= -0.309! C(o=0.93!,f=-12!) USER MOD Set 2.1: A 76 LYS NZ :NH3+ -161:sc= 0.0389 (180deg=0) USER MOD Set 2.2: A 106 THR OG1 : rot -14:sc= 0.596 USER MOD Single : A 59 MET CE :methyl -163:sc= -0.0881 (180deg=-0.435) USER MOD Single : A 69 CYS SG : rot 68:sc= 0.716 USER MOD Single : A 70 TYR OH : rot 30:sc= -0.05 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= -0.318 K(o=-0.32,f=-1.2) USER MOD Single : A 88 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 91 HIS : no HE2:sc= -0.463 K(o=-0.46,f=-2.8!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0.0795 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 24:sc= 0.751 USER MOD Single : A 99 THR OG1 : rot 180:sc=-0.00728 USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 124:sc= 1.23 USER MOD Single : A 109 MET CE :methyl -178:sc= 0 (180deg=-0.0119) USER MOD Single : A 113 SER OG : rot -49:sc= 1.25 USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 GLN : amide:sc= 0 K(o=0,f=-1.8) USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 GLN : amide:sc= -0.259 K(o=-0.26,f=-1.3) USER MOD Single : A 131 THR OG1 : rot 70:sc= 1.01 USER MOD Single : A 134 GLN : amide:sc= -0.0316 K(o=-0.032,f=-2.1!) USER MOD Single : A 135 MET CE :methyl -107:sc= -0.709 (180deg=-7.24!) USER MOD Single : A 139 SER OG : rot 180:sc= 0 USER MOD Single : A 141 CYS SG : rot 75:sc= 0.506 USER MOD Single : A 143 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 145 GLN : amide:sc= 0.644 K(o=0.64,f=0) USER MOD Single : A 150 HIS : no HD1:sc= 0.0531 K(o=0.053,f=-0.71) USER MOD Single : A 151 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 59 -1.930 10.265 0.026 1.00 0.00 N ATOM 2 CA MET A 59 -2.832 9.267 -0.488 1.00 0.00 C ATOM 3 C MET A 59 -3.386 8.411 0.637 1.00 0.00 C ATOM 4 O MET A 59 -2.888 8.351 1.765 1.00 0.00 O ATOM 5 CB MET A 59 -2.090 8.407 -1.517 1.00 0.00 C ATOM 6 CG MET A 59 -2.306 8.989 -2.909 1.00 0.00 C ATOM 7 SD MET A 59 -3.926 8.636 -3.645 1.00 0.00 S ATOM 8 CE MET A 59 -3.753 6.843 -3.903 1.00 0.00 C ATOM 0 HA MET A 59 -3.677 9.757 -0.972 1.00 0.00 H new ATOM 0 HB2 MET A 59 -1.026 8.378 -1.284 1.00 0.00 H new ATOM 0 HB3 MET A 59 -2.453 7.380 -1.479 1.00 0.00 H new ATOM 0 HG2 MET A 59 -2.174 10.070 -2.859 1.00 0.00 H new ATOM 0 HG3 MET A 59 -1.531 8.604 -3.572 1.00 0.00 H new ATOM 0 HE1 MET A 59 -4.510 6.502 -4.609 1.00 0.00 H new ATOM 0 HE2 MET A 59 -2.762 6.627 -4.301 1.00 0.00 H new ATOM 0 HE3 MET A 59 -3.883 6.324 -2.953 1.00 0.00 H new ATOM 18 N ALA A 60 -4.479 7.757 0.306 1.00 0.00 N ATOM 19 CA ALA A 60 -5.040 6.690 1.108 1.00 0.00 C ATOM 20 C ALA A 60 -4.108 5.496 0.997 1.00 0.00 C ATOM 21 O ALA A 60 -3.637 5.191 -0.098 1.00 0.00 O ATOM 22 CB ALA A 60 -6.434 6.354 0.580 1.00 0.00 C ATOM 0 H ALA A 60 -5.011 7.955 -0.541 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.136 6.980 2.154 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -6.866 5.551 1.178 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -7.070 7.237 0.645 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -6.362 6.034 -0.460 1.00 0.00 H new ATOM 28 N GLY A 61 -3.852 4.823 2.110 1.00 0.00 N ATOM 29 CA GLY A 61 -3.403 3.450 2.084 1.00 0.00 C ATOM 30 C GLY A 61 -2.916 3.044 3.460 1.00 0.00 C ATOM 31 O GLY A 61 -3.262 1.972 3.951 1.00 0.00 O ATOM 0 H GLY A 61 -3.951 5.215 3.046 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.217 2.797 1.769 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -2.601 3.334 1.355 1.00 0.00 H new ATOM 35 N GLY A 62 -2.195 3.938 4.129 1.00 0.00 N ATOM 36 CA GLY A 62 -1.315 3.584 5.220 1.00 0.00 C ATOM 37 C GLY A 62 0.054 4.030 4.771 1.00 0.00 C ATOM 38 O GLY A 62 0.728 3.285 4.076 1.00 0.00 O ATOM 0 H GLY A 62 -2.210 4.937 3.921 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.610 4.082 6.144 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.338 2.512 5.415 1.00 0.00 H new ATOM 42 N ALA A 63 0.386 5.278 5.088 1.00 0.00 N ATOM 43 CA ALA A 63 1.659 5.933 4.803 1.00 0.00 C ATOM 44 C ALA A 63 2.093 5.738 3.357 1.00 0.00 C ATOM 45 O ALA A 63 3.006 4.989 3.018 1.00 0.00 O ATOM 46 CB ALA A 63 2.716 5.490 5.802 1.00 0.00 C ATOM 0 H ALA A 63 -0.262 5.894 5.578 1.00 0.00 H new ATOM 0 HA ALA A 63 1.525 7.008 4.924 1.00 0.00 H new ATOM 0 HB1 ALA A 63 3.660 5.986 5.577 1.00 0.00 H new ATOM 0 HB2 ALA A 63 2.398 5.755 6.810 1.00 0.00 H new ATOM 0 HB3 ALA A 63 2.849 4.410 5.736 1.00 0.00 H new ATOM 52 N TRP A 64 1.396 6.446 2.482 1.00 0.00 N ATOM 53 CA TRP A 64 1.574 6.346 1.063 1.00 0.00 C ATOM 54 C TRP A 64 2.215 7.630 0.566 1.00 0.00 C ATOM 55 O TRP A 64 2.301 8.618 1.299 1.00 0.00 O ATOM 56 CB TRP A 64 0.191 6.146 0.436 1.00 0.00 C ATOM 57 CG TRP A 64 -0.153 4.748 0.065 1.00 0.00 C ATOM 58 CD1 TRP A 64 0.040 3.635 0.804 1.00 0.00 C ATOM 59 CD2 TRP A 64 -0.677 4.302 -1.209 1.00 0.00 C ATOM 60 NE1 TRP A 64 -0.396 2.532 0.101 1.00 0.00 N ATOM 61 CE2 TRP A 64 -0.819 2.885 -1.171 1.00 0.00 C ATOM 62 CE3 TRP A 64 -0.939 4.970 -2.423 1.00 0.00 C ATOM 63 CZ2 TRP A 64 -1.260 2.173 -2.295 1.00 0.00 C ATOM 64 CZ3 TRP A 64 -1.330 4.251 -3.567 1.00 0.00 C ATOM 65 CH2 TRP A 64 -1.499 2.858 -3.499 1.00 0.00 C ATOM 0 H TRP A 64 0.678 7.117 2.756 1.00 0.00 H new ATOM 0 HA TRP A 64 2.219 5.510 0.793 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -0.561 6.512 1.135 1.00 0.00 H new ATOM 0 HB3 TRP A 64 0.124 6.766 -0.458 1.00 0.00 H new ATOM 0 HD1 TRP A 64 0.470 3.612 1.794 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -0.406 1.581 0.469 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -0.838 6.044 -2.475 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -1.415 1.106 -2.236 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -1.500 4.770 -4.498 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -1.814 2.311 -4.375 1.00 0.00 H new ATOM 76 N GLY A 65 2.566 7.643 -0.715 1.00 0.00 N ATOM 77 CA GLY A 65 2.742 8.876 -1.447 1.00 0.00 C ATOM 78 C GLY A 65 4.119 9.458 -1.184 1.00 0.00 C ATOM 79 O GLY A 65 5.029 9.235 -1.981 1.00 0.00 O ATOM 0 H GLY A 65 2.734 6.801 -1.266 1.00 0.00 H new ATOM 0 HA2 GLY A 65 2.616 8.694 -2.514 1.00 0.00 H new ATOM 0 HA3 GLY A 65 1.975 9.593 -1.153 1.00 0.00 H new ATOM 83 N ARG A 66 4.328 10.098 -0.030 1.00 0.00 N ATOM 84 CA ARG A 66 5.653 10.537 0.418 1.00 0.00 C ATOM 85 C ARG A 66 6.651 9.382 0.421 1.00 0.00 C ATOM 86 O ARG A 66 7.844 9.595 0.218 1.00 0.00 O ATOM 87 CB ARG A 66 5.553 11.123 1.835 1.00 0.00 C ATOM 88 CG ARG A 66 6.530 12.281 2.053 1.00 0.00 C ATOM 89 CD ARG A 66 6.488 12.745 3.514 1.00 0.00 C ATOM 90 NE ARG A 66 7.266 13.974 3.698 1.00 0.00 N ATOM 91 CZ ARG A 66 8.597 14.070 3.783 1.00 0.00 C ATOM 92 NH1 ARG A 66 9.372 12.991 3.862 1.00 0.00 N ATOM 93 NH2 ARG A 66 9.150 15.271 3.759 1.00 0.00 N ATOM 0 H ARG A 66 3.579 10.327 0.623 1.00 0.00 H new ATOM 0 HA ARG A 66 6.008 11.297 -0.278 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.535 11.471 2.011 1.00 0.00 H new ATOM 0 HB3 ARG A 66 5.753 10.339 2.565 1.00 0.00 H new ATOM 0 HG2 ARG A 66 7.541 11.967 1.793 1.00 0.00 H new ATOM 0 HG3 ARG A 66 6.275 13.110 1.393 1.00 0.00 H new ATOM 0 HD2 ARG A 66 5.455 12.916 3.815 1.00 0.00 H new ATOM 0 HD3 ARG A 66 6.883 11.961 4.160 1.00 0.00 H new ATOM 0 HE ARG A 66 6.738 14.844 3.768 1.00 0.00 H new ATOM 0 HH11 ARG A 66 8.953 12.061 3.859 1.00 0.00 H new ATOM 0 HH12 ARG A 66 10.385 13.094 3.926 1.00 0.00 H new ATOM 0 HH21 ARG A 66 8.563 16.101 3.677 1.00 0.00 H new ATOM 0 HH22 ARG A 66 10.163 15.367 3.823 1.00 0.00 H new ATOM 107 N LEU A 67 6.171 8.165 0.680 1.00 0.00 N ATOM 108 CA LEU A 67 6.945 6.940 0.574 1.00 0.00 C ATOM 109 C LEU A 67 7.228 6.667 -0.908 1.00 0.00 C ATOM 110 O LEU A 67 8.383 6.655 -1.336 1.00 0.00 O ATOM 111 CB LEU A 67 6.169 5.803 1.274 1.00 0.00 C ATOM 112 CG LEU A 67 7.076 4.678 1.798 1.00 0.00 C ATOM 113 CD1 LEU A 67 6.268 3.751 2.695 1.00 0.00 C ATOM 114 CD2 LEU A 67 7.699 3.800 0.712 1.00 0.00 C ATOM 0 H LEU A 67 5.208 8.006 0.976 1.00 0.00 H new ATOM 0 HA LEU A 67 7.910 7.021 1.074 1.00 0.00 H new ATOM 0 HB2 LEU A 67 5.601 6.219 2.106 1.00 0.00 H new ATOM 0 HB3 LEU A 67 5.447 5.382 0.575 1.00 0.00 H new ATOM 0 HG LEU A 67 7.884 5.189 2.321 1.00 0.00 H new ATOM 0 HD11 LEU A 67 6.911 2.953 3.067 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.868 4.317 3.537 1.00 0.00 H new ATOM 0 HD13 LEU A 67 5.446 3.319 2.125 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.322 3.035 1.176 1.00 0.00 H new ATOM 0 HD22 LEU A 67 6.909 3.323 0.132 1.00 0.00 H new ATOM 0 HD23 LEU A 67 8.311 4.416 0.053 1.00 0.00 H new ATOM 126 N ALA A 68 6.168 6.458 -1.698 1.00 0.00 N ATOM 127 CA ALA A 68 6.262 5.997 -3.076 1.00 0.00 C ATOM 128 C ALA A 68 6.990 6.970 -4.002 1.00 0.00 C ATOM 129 O ALA A 68 7.503 6.504 -5.008 1.00 0.00 O ATOM 130 CB ALA A 68 4.879 5.681 -3.645 1.00 0.00 C ATOM 0 H ALA A 68 5.208 6.609 -1.387 1.00 0.00 H new ATOM 0 HA ALA A 68 6.862 5.088 -3.037 1.00 0.00 H new ATOM 0 HB1 ALA A 68 4.979 5.339 -4.675 1.00 0.00 H new ATOM 0 HB2 ALA A 68 4.409 4.900 -3.047 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.261 6.579 -3.619 1.00 0.00 H new ATOM 136 N CYS A 69 7.114 8.263 -3.685 1.00 0.00 N ATOM 137 CA CYS A 69 7.887 9.225 -4.478 1.00 0.00 C ATOM 138 C CYS A 69 9.297 8.701 -4.780 1.00 0.00 C ATOM 139 O CYS A 69 9.805 8.821 -5.897 1.00 0.00 O ATOM 140 CB CYS A 69 7.994 10.550 -3.711 1.00 0.00 C ATOM 141 SG CYS A 69 6.416 11.435 -3.732 1.00 0.00 S ATOM 0 H CYS A 69 6.676 8.676 -2.862 1.00 0.00 H new ATOM 0 HA CYS A 69 7.369 9.375 -5.425 1.00 0.00 H new ATOM 0 HB2 CYS A 69 8.293 10.356 -2.681 1.00 0.00 H new ATOM 0 HB3 CYS A 69 8.771 11.172 -4.157 1.00 0.00 H new ATOM 0 HG CYS A 69 5.539 10.775 -3.036 1.00 0.00 H new ATOM 147 N TYR A 70 9.938 8.105 -3.777 1.00 0.00 N ATOM 148 CA TYR A 70 11.284 7.563 -3.881 1.00 0.00 C ATOM 149 C TYR A 70 11.270 6.287 -4.725 1.00 0.00 C ATOM 150 O TYR A 70 12.235 5.990 -5.429 1.00 0.00 O ATOM 151 CB TYR A 70 11.813 7.274 -2.468 1.00 0.00 C ATOM 152 CG TYR A 70 11.977 8.513 -1.598 1.00 0.00 C ATOM 153 CD1 TYR A 70 10.853 9.204 -1.095 1.00 0.00 C ATOM 154 CD2 TYR A 70 13.265 8.982 -1.285 1.00 0.00 C ATOM 155 CE1 TYR A 70 11.008 10.371 -0.331 1.00 0.00 C ATOM 156 CE2 TYR A 70 13.428 10.135 -0.502 1.00 0.00 C ATOM 157 CZ TYR A 70 12.300 10.842 -0.027 1.00 0.00 C ATOM 158 OH TYR A 70 12.454 11.952 0.740 1.00 0.00 O ATOM 0 H TYR A 70 9.525 7.985 -2.852 1.00 0.00 H new ATOM 0 HA TYR A 70 11.939 8.284 -4.369 1.00 0.00 H new ATOM 0 HB2 TYR A 70 11.132 6.583 -1.972 1.00 0.00 H new ATOM 0 HB3 TYR A 70 12.776 6.770 -2.549 1.00 0.00 H new ATOM 0 HD1 TYR A 70 9.861 8.830 -1.301 1.00 0.00 H new ATOM 0 HD2 TYR A 70 14.133 8.452 -1.649 1.00 0.00 H new ATOM 0 HE1 TYR A 70 10.139 10.906 0.023 1.00 0.00 H new ATOM 0 HE2 TYR A 70 14.421 10.484 -0.261 1.00 0.00 H new ATOM 0 HH TYR A 70 11.702 12.025 1.365 1.00 0.00 H new ATOM 168 N LEU A 71 10.170 5.531 -4.650 1.00 0.00 N ATOM 169 CA LEU A 71 10.023 4.224 -5.273 1.00 0.00 C ATOM 170 C LEU A 71 9.446 4.336 -6.688 1.00 0.00 C ATOM 171 O LEU A 71 9.318 3.332 -7.386 1.00 0.00 O ATOM 172 CB LEU A 71 9.136 3.296 -4.414 1.00 0.00 C ATOM 173 CG LEU A 71 9.368 3.285 -2.887 1.00 0.00 C ATOM 174 CD1 LEU A 71 8.561 2.137 -2.257 1.00 0.00 C ATOM 175 CD2 LEU A 71 10.849 3.211 -2.485 1.00 0.00 C ATOM 0 H LEU A 71 9.338 5.825 -4.139 1.00 0.00 H new ATOM 0 HA LEU A 71 11.020 3.789 -5.344 1.00 0.00 H new ATOM 0 HB2 LEU A 71 8.096 3.569 -4.592 1.00 0.00 H new ATOM 0 HB3 LEU A 71 9.266 2.277 -4.779 1.00 0.00 H new ATOM 0 HG LEU A 71 9.017 4.242 -2.501 1.00 0.00 H new ATOM 0 HD11 LEU A 71 8.723 2.127 -1.179 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.501 2.282 -2.463 1.00 0.00 H new ATOM 0 HD13 LEU A 71 8.887 1.187 -2.682 1.00 0.00 H new ATOM 0 HD21 LEU A 71 10.931 3.207 -1.398 1.00 0.00 H new ATOM 0 HD22 LEU A 71 11.289 2.298 -2.885 1.00 0.00 H new ATOM 0 HD23 LEU A 71 11.378 4.075 -2.886 1.00 0.00 H new ATOM 187 N GLU A 72 9.038 5.528 -7.112 1.00 0.00 N ATOM 188 CA GLU A 72 8.353 5.791 -8.362 1.00 0.00 C ATOM 189 C GLU A 72 9.361 6.103 -9.467 1.00 0.00 C ATOM 190 O GLU A 72 9.063 5.829 -10.628 1.00 0.00 O ATOM 191 CB GLU A 72 7.390 6.959 -8.101 1.00 0.00 C ATOM 192 CG GLU A 72 6.728 7.548 -9.349 1.00 0.00 C ATOM 193 CD GLU A 72 5.812 8.727 -9.013 1.00 0.00 C ATOM 194 OE1 GLU A 72 6.096 9.478 -8.057 1.00 0.00 O ATOM 195 OE2 GLU A 72 4.795 8.945 -9.719 1.00 0.00 O ATOM 0 H GLU A 72 9.186 6.375 -6.563 1.00 0.00 H new ATOM 0 HA GLU A 72 7.792 4.922 -8.705 1.00 0.00 H new ATOM 0 HB2 GLU A 72 6.609 6.620 -7.420 1.00 0.00 H new ATOM 0 HB3 GLU A 72 7.936 7.752 -7.590 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.498 7.876 -10.047 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.150 6.773 -9.853 1.00 0.00 H new ATOM 202 N PHE A 73 10.534 6.656 -9.124 1.00 0.00 N ATOM 203 CA PHE A 73 11.494 7.097 -10.137 1.00 0.00 C ATOM 204 C PHE A 73 11.995 5.878 -10.918 1.00 0.00 C ATOM 205 O PHE A 73 11.981 5.855 -12.151 1.00 0.00 O ATOM 206 CB PHE A 73 12.632 7.945 -9.507 1.00 0.00 C ATOM 207 CG PHE A 73 14.036 7.341 -9.514 1.00 0.00 C ATOM 208 CD1 PHE A 73 14.706 7.143 -10.739 1.00 0.00 C ATOM 209 CD2 PHE A 73 14.647 6.909 -8.319 1.00 0.00 C ATOM 210 CE1 PHE A 73 15.927 6.453 -10.780 1.00 0.00 C ATOM 211 CE2 PHE A 73 15.898 6.261 -8.363 1.00 0.00 C ATOM 212 CZ PHE A 73 16.529 6.011 -9.592 1.00 0.00 C ATOM 0 H PHE A 73 10.835 6.806 -8.161 1.00 0.00 H new ATOM 0 HA PHE A 73 11.005 7.763 -10.848 1.00 0.00 H new ATOM 0 HB2 PHE A 73 12.672 8.900 -10.031 1.00 0.00 H new ATOM 0 HB3 PHE A 73 12.361 8.160 -8.473 1.00 0.00 H new ATOM 0 HD1 PHE A 73 14.276 7.526 -11.653 1.00 0.00 H new ATOM 0 HD2 PHE A 73 14.157 7.074 -7.371 1.00 0.00 H new ATOM 0 HE1 PHE A 73 16.405 6.261 -11.729 1.00 0.00 H new ATOM 0 HE2 PHE A 73 16.375 5.954 -7.444 1.00 0.00 H new ATOM 0 HZ PHE A 73 17.470 5.483 -9.623 1.00 0.00 H new ATOM 222 N LEU A 74 12.468 4.889 -10.162 1.00 0.00 N ATOM 223 CA LEU A 74 13.048 3.657 -10.655 1.00 0.00 C ATOM 224 C LEU A 74 11.949 2.679 -11.062 1.00 0.00 C ATOM 225 O LEU A 74 10.769 2.829 -10.721 1.00 0.00 O ATOM 226 CB LEU A 74 14.046 3.063 -9.634 1.00 0.00 C ATOM 227 CG LEU A 74 13.723 3.211 -8.135 1.00 0.00 C ATOM 228 CD1 LEU A 74 12.399 2.565 -7.758 1.00 0.00 C ATOM 229 CD2 LEU A 74 14.801 2.538 -7.289 1.00 0.00 C ATOM 0 H LEU A 74 12.453 4.934 -9.143 1.00 0.00 H new ATOM 0 HA LEU A 74 13.629 3.870 -11.552 1.00 0.00 H new ATOM 0 HB2 LEU A 74 14.150 2.000 -9.849 1.00 0.00 H new ATOM 0 HB3 LEU A 74 15.019 3.521 -9.813 1.00 0.00 H new ATOM 0 HG LEU A 74 13.673 4.283 -7.944 1.00 0.00 H new ATOM 0 HD11 LEU A 74 12.220 2.698 -6.691 1.00 0.00 H new ATOM 0 HD12 LEU A 74 11.592 3.033 -8.323 1.00 0.00 H new ATOM 0 HD13 LEU A 74 12.434 1.501 -7.990 1.00 0.00 H new ATOM 0 HD21 LEU A 74 14.558 2.652 -6.233 1.00 0.00 H new ATOM 0 HD22 LEU A 74 14.850 1.478 -7.538 1.00 0.00 H new ATOM 0 HD23 LEU A 74 15.766 3.003 -7.491 1.00 0.00 H new ATOM 241 N LYS A 75 12.345 1.654 -11.808 1.00 0.00 N ATOM 242 CA LYS A 75 11.452 0.701 -12.455 1.00 0.00 C ATOM 243 C LYS A 75 11.975 -0.699 -12.205 1.00 0.00 C ATOM 244 O LYS A 75 12.821 -0.895 -11.344 1.00 0.00 O ATOM 245 CB LYS A 75 11.310 1.034 -13.945 1.00 0.00 C ATOM 246 CG LYS A 75 10.719 2.434 -14.150 1.00 0.00 C ATOM 247 CD LYS A 75 10.179 2.539 -15.571 1.00 0.00 C ATOM 248 CE LYS A 75 9.582 3.917 -15.848 1.00 0.00 C ATOM 249 NZ LYS A 75 8.558 3.835 -16.906 1.00 0.00 N ATOM 0 H LYS A 75 13.330 1.457 -11.985 1.00 0.00 H new ATOM 0 HA LYS A 75 10.448 0.762 -12.034 1.00 0.00 H new ATOM 0 HB2 LYS A 75 12.286 0.975 -14.427 1.00 0.00 H new ATOM 0 HB3 LYS A 75 10.671 0.293 -14.426 1.00 0.00 H new ATOM 0 HG2 LYS A 75 9.922 2.616 -13.429 1.00 0.00 H new ATOM 0 HG3 LYS A 75 11.482 3.194 -13.980 1.00 0.00 H new ATOM 0 HD2 LYS A 75 10.982 2.341 -16.281 1.00 0.00 H new ATOM 0 HD3 LYS A 75 9.418 1.774 -15.729 1.00 0.00 H new ATOM 0 HE2 LYS A 75 9.139 4.318 -14.936 1.00 0.00 H new ATOM 0 HE3 LYS A 75 10.370 4.607 -16.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 8.163 4.781 -17.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 8.990 3.473 -17.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 7.798 3.193 -16.604 1.00 0.00 H new ATOM 263 N LYS A 76 11.417 -1.715 -12.859 1.00 0.00 N ATOM 264 CA LYS A 76 11.606 -3.116 -12.486 1.00 0.00 C ATOM 265 C LYS A 76 13.042 -3.617 -12.654 1.00 0.00 C ATOM 266 O LYS A 76 13.341 -4.723 -12.210 1.00 0.00 O ATOM 267 CB LYS A 76 10.607 -4.001 -13.245 1.00 0.00 C ATOM 268 CG LYS A 76 9.174 -3.895 -12.689 1.00 0.00 C ATOM 269 CD LYS A 76 8.360 -2.714 -13.255 1.00 0.00 C ATOM 270 CE LYS A 76 7.228 -3.180 -14.179 1.00 0.00 C ATOM 271 NZ LYS A 76 6.063 -3.697 -13.435 1.00 0.00 N ATOM 0 H LYS A 76 10.814 -1.588 -13.672 1.00 0.00 H new ATOM 0 HA LYS A 76 11.409 -3.184 -11.416 1.00 0.00 H new ATOM 0 HB2 LYS A 76 10.605 -3.719 -14.298 1.00 0.00 H new ATOM 0 HB3 LYS A 76 10.936 -5.039 -13.194 1.00 0.00 H new ATOM 0 HG2 LYS A 76 8.644 -4.823 -12.904 1.00 0.00 H new ATOM 0 HG3 LYS A 76 9.224 -3.800 -11.604 1.00 0.00 H new ATOM 0 HD2 LYS A 76 7.940 -2.137 -12.431 1.00 0.00 H new ATOM 0 HD3 LYS A 76 9.024 -2.048 -13.805 1.00 0.00 H new ATOM 0 HE2 LYS A 76 6.912 -2.348 -14.808 1.00 0.00 H new ATOM 0 HE3 LYS A 76 7.604 -3.958 -14.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 5.479 -4.281 -14.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 6.391 -4.274 -12.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 5.497 -2.900 -13.079 1.00 0.00 H new ATOM 285 N GLU A 77 13.923 -2.805 -13.222 1.00 0.00 N ATOM 286 CA GLU A 77 15.358 -2.866 -12.985 1.00 0.00 C ATOM 287 C GLU A 77 15.626 -2.820 -11.470 1.00 0.00 C ATOM 288 O GLU A 77 15.946 -3.846 -10.866 1.00 0.00 O ATOM 289 CB GLU A 77 16.051 -1.697 -13.703 1.00 0.00 C ATOM 290 CG GLU A 77 15.961 -1.725 -15.234 1.00 0.00 C ATOM 291 CD GLU A 77 15.496 -0.365 -15.758 1.00 0.00 C ATOM 292 OE1 GLU A 77 16.348 0.545 -15.893 1.00 0.00 O ATOM 293 OE2 GLU A 77 14.268 -0.236 -15.975 1.00 0.00 O ATOM 0 H GLU A 77 13.653 -2.069 -13.875 1.00 0.00 H new ATOM 0 HA GLU A 77 15.762 -3.798 -13.382 1.00 0.00 H new ATOM 0 HB2 GLU A 77 15.616 -0.763 -13.347 1.00 0.00 H new ATOM 0 HB3 GLU A 77 17.103 -1.688 -13.417 1.00 0.00 H new ATOM 0 HG2 GLU A 77 16.933 -1.974 -15.659 1.00 0.00 H new ATOM 0 HG3 GLU A 77 15.266 -2.503 -15.551 1.00 0.00 H new ATOM 300 N GLU A 78 15.521 -1.649 -10.835 1.00 0.00 N ATOM 301 CA GLU A 78 16.117 -1.396 -9.528 1.00 0.00 C ATOM 302 C GLU A 78 15.054 -1.443 -8.429 1.00 0.00 C ATOM 303 O GLU A 78 15.355 -1.767 -7.287 1.00 0.00 O ATOM 304 CB GLU A 78 16.839 -0.033 -9.499 1.00 0.00 C ATOM 305 CG GLU A 78 17.622 0.375 -10.759 1.00 0.00 C ATOM 306 CD GLU A 78 16.798 1.101 -11.835 1.00 0.00 C ATOM 307 OE1 GLU A 78 15.545 1.120 -11.775 1.00 0.00 O ATOM 308 OE2 GLU A 78 17.421 1.648 -12.779 1.00 0.00 O ATOM 0 H GLU A 78 15.017 -0.849 -11.218 1.00 0.00 H new ATOM 0 HA GLU A 78 16.851 -2.181 -9.345 1.00 0.00 H new ATOM 0 HB2 GLU A 78 16.096 0.739 -9.299 1.00 0.00 H new ATOM 0 HB3 GLU A 78 17.531 -0.035 -8.657 1.00 0.00 H new ATOM 0 HG2 GLU A 78 18.449 1.020 -10.461 1.00 0.00 H new ATOM 0 HG3 GLU A 78 18.059 -0.520 -11.201 1.00 0.00 H new ATOM 315 N LEU A 79 13.788 -1.187 -8.770 1.00 0.00 N ATOM 316 CA LEU A 79 12.617 -1.349 -7.911 1.00 0.00 C ATOM 317 C LEU A 79 12.523 -2.791 -7.421 1.00 0.00 C ATOM 318 O LEU A 79 12.112 -3.073 -6.292 1.00 0.00 O ATOM 319 CB LEU A 79 11.361 -0.977 -8.738 1.00 0.00 C ATOM 320 CG LEU A 79 9.999 -0.886 -8.024 1.00 0.00 C ATOM 321 CD1 LEU A 79 9.295 -2.246 -7.904 1.00 0.00 C ATOM 322 CD2 LEU A 79 10.110 -0.209 -6.661 1.00 0.00 C ATOM 0 H LEU A 79 13.542 -0.844 -9.699 1.00 0.00 H new ATOM 0 HA LEU A 79 12.694 -0.701 -7.038 1.00 0.00 H new ATOM 0 HB2 LEU A 79 11.551 -0.013 -9.210 1.00 0.00 H new ATOM 0 HB3 LEU A 79 11.265 -1.710 -9.539 1.00 0.00 H new ATOM 0 HG LEU A 79 9.375 -0.259 -8.660 1.00 0.00 H new ATOM 0 HD11 LEU A 79 8.341 -2.118 -7.392 1.00 0.00 H new ATOM 0 HD12 LEU A 79 9.121 -2.655 -8.899 1.00 0.00 H new ATOM 0 HD13 LEU A 79 9.923 -2.932 -7.335 1.00 0.00 H new ATOM 0 HD21 LEU A 79 9.126 -0.167 -6.194 1.00 0.00 H new ATOM 0 HD22 LEU A 79 10.789 -0.779 -6.026 1.00 0.00 H new ATOM 0 HD23 LEU A 79 10.495 0.803 -6.788 1.00 0.00 H new ATOM 334 N LYS A 80 12.864 -3.721 -8.309 1.00 0.00 N ATOM 335 CA LYS A 80 12.753 -5.145 -8.051 1.00 0.00 C ATOM 336 C LYS A 80 13.978 -5.649 -7.324 1.00 0.00 C ATOM 337 O LYS A 80 13.783 -6.466 -6.428 1.00 0.00 O ATOM 338 CB LYS A 80 12.522 -5.880 -9.365 1.00 0.00 C ATOM 339 CG LYS A 80 12.150 -7.354 -9.187 1.00 0.00 C ATOM 340 CD LYS A 80 10.813 -7.638 -8.484 1.00 0.00 C ATOM 341 CE LYS A 80 10.924 -7.813 -6.960 1.00 0.00 C ATOM 342 NZ LYS A 80 9.659 -8.342 -6.407 1.00 0.00 N ATOM 0 H LYS A 80 13.228 -3.500 -9.236 1.00 0.00 H new ATOM 0 HA LYS A 80 11.899 -5.337 -7.402 1.00 0.00 H new ATOM 0 HB2 LYS A 80 11.728 -5.378 -9.917 1.00 0.00 H new ATOM 0 HB3 LYS A 80 13.425 -5.813 -9.973 1.00 0.00 H new ATOM 0 HG2 LYS A 80 12.125 -7.822 -10.171 1.00 0.00 H new ATOM 0 HG3 LYS A 80 12.944 -7.842 -8.622 1.00 0.00 H new ATOM 0 HD2 LYS A 80 10.124 -6.820 -8.695 1.00 0.00 H new ATOM 0 HD3 LYS A 80 10.376 -8.541 -8.911 1.00 0.00 H new ATOM 0 HE2 LYS A 80 11.743 -8.492 -6.725 1.00 0.00 H new ATOM 0 HE3 LYS A 80 11.160 -6.856 -6.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 9.750 -8.454 -5.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 8.885 -7.679 -6.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 9.450 -9.265 -6.839 1.00 0.00 H new ATOM 356 N GLU A 81 15.182 -5.158 -7.643 1.00 0.00 N ATOM 357 CA GLU A 81 16.328 -5.398 -6.775 1.00 0.00 C ATOM 358 C GLU A 81 15.965 -4.923 -5.388 1.00 0.00 C ATOM 359 O GLU A 81 15.918 -5.755 -4.500 1.00 0.00 O ATOM 360 CB GLU A 81 17.626 -4.748 -7.262 1.00 0.00 C ATOM 361 CG GLU A 81 18.300 -5.677 -8.266 1.00 0.00 C ATOM 362 CD GLU A 81 19.640 -5.122 -8.750 1.00 0.00 C ATOM 363 OE1 GLU A 81 20.563 -4.884 -7.938 1.00 0.00 O ATOM 364 OE2 GLU A 81 19.769 -4.883 -9.966 1.00 0.00 O ATOM 0 H GLU A 81 15.380 -4.605 -8.477 1.00 0.00 H new ATOM 0 HA GLU A 81 16.540 -6.467 -6.781 1.00 0.00 H new ATOM 0 HB2 GLU A 81 17.414 -3.784 -7.725 1.00 0.00 H new ATOM 0 HB3 GLU A 81 18.291 -4.558 -6.420 1.00 0.00 H new ATOM 0 HG2 GLU A 81 18.456 -6.654 -7.808 1.00 0.00 H new ATOM 0 HG3 GLU A 81 17.640 -5.828 -9.120 1.00 0.00 H new ATOM 371 N PHE A 82 15.591 -3.656 -5.213 1.00 0.00 N ATOM 372 CA PHE A 82 15.198 -3.111 -3.926 1.00 0.00 C ATOM 373 C PHE A 82 14.224 -4.032 -3.199 1.00 0.00 C ATOM 374 O PHE A 82 14.528 -4.470 -2.102 1.00 0.00 O ATOM 375 CB PHE A 82 14.604 -1.720 -4.114 1.00 0.00 C ATOM 376 CG PHE A 82 14.303 -1.022 -2.809 1.00 0.00 C ATOM 377 CD1 PHE A 82 13.069 -1.217 -2.161 1.00 0.00 C ATOM 378 CD2 PHE A 82 15.251 -0.144 -2.261 1.00 0.00 C ATOM 379 CE1 PHE A 82 12.745 -0.461 -1.023 1.00 0.00 C ATOM 380 CE2 PHE A 82 14.940 0.585 -1.106 1.00 0.00 C ATOM 381 CZ PHE A 82 13.678 0.453 -0.514 1.00 0.00 C ATOM 0 H PHE A 82 15.554 -2.977 -5.973 1.00 0.00 H new ATOM 0 HA PHE A 82 16.087 -3.033 -3.300 1.00 0.00 H new ATOM 0 HB2 PHE A 82 15.298 -1.111 -4.693 1.00 0.00 H new ATOM 0 HB3 PHE A 82 13.686 -1.799 -4.697 1.00 0.00 H new ATOM 0 HD1 PHE A 82 12.371 -1.949 -2.539 1.00 0.00 H new ATOM 0 HD2 PHE A 82 16.218 -0.031 -2.729 1.00 0.00 H new ATOM 0 HE1 PHE A 82 11.785 -0.583 -0.544 1.00 0.00 H new ATOM 0 HE2 PHE A 82 15.673 1.249 -0.672 1.00 0.00 H new ATOM 0 HZ PHE A 82 13.421 1.060 0.342 1.00 0.00 H new ATOM 391 N GLN A 83 13.076 -4.377 -3.791 1.00 0.00 N ATOM 392 CA GLN A 83 12.075 -5.211 -3.123 1.00 0.00 C ATOM 393 C GLN A 83 12.654 -6.534 -2.629 1.00 0.00 C ATOM 394 O GLN A 83 12.273 -7.028 -1.563 1.00 0.00 O ATOM 395 CB GLN A 83 10.895 -5.496 -4.074 1.00 0.00 C ATOM 396 CG GLN A 83 9.588 -4.905 -3.547 1.00 0.00 C ATOM 397 CD GLN A 83 9.726 -3.433 -3.177 1.00 0.00 C ATOM 398 OE1 GLN A 83 9.448 -3.049 -2.046 1.00 0.00 O ATOM 399 NE2 GLN A 83 10.187 -2.605 -4.097 1.00 0.00 N ATOM 0 H GLN A 83 12.818 -4.090 -4.735 1.00 0.00 H new ATOM 0 HA GLN A 83 11.729 -4.652 -2.254 1.00 0.00 H new ATOM 0 HB2 GLN A 83 11.112 -5.080 -5.058 1.00 0.00 H new ATOM 0 HB3 GLN A 83 10.782 -6.573 -4.201 1.00 0.00 H new ATOM 0 HG2 GLN A 83 8.811 -5.016 -4.303 1.00 0.00 H new ATOM 0 HG3 GLN A 83 9.264 -5.468 -2.672 1.00 0.00 H new ATOM 0 HE21 GLN A 83 10.410 -2.952 -5.030 1.00 0.00 H new ATOM 0 HE22 GLN A 83 10.320 -1.618 -3.875 1.00 0.00 H new ATOM 408 N LEU A 84 13.521 -7.139 -3.430 1.00 0.00 N ATOM 409 CA LEU A 84 14.086 -8.446 -3.177 1.00 0.00 C ATOM 410 C LEU A 84 15.220 -8.338 -2.167 1.00 0.00 C ATOM 411 O LEU A 84 15.160 -8.956 -1.104 1.00 0.00 O ATOM 412 CB LEU A 84 14.356 -9.117 -4.527 1.00 0.00 C ATOM 413 CG LEU A 84 15.797 -9.236 -5.047 1.00 0.00 C ATOM 414 CD1 LEU A 84 16.455 -10.415 -4.336 1.00 0.00 C ATOM 415 CD2 LEU A 84 15.820 -9.487 -6.558 1.00 0.00 C ATOM 0 H LEU A 84 13.856 -6.717 -4.296 1.00 0.00 H new ATOM 0 HA LEU A 84 13.406 -9.133 -2.674 1.00 0.00 H new ATOM 0 HB2 LEU A 84 13.944 -10.125 -4.477 1.00 0.00 H new ATOM 0 HB3 LEU A 84 13.783 -8.576 -5.279 1.00 0.00 H new ATOM 0 HG LEU A 84 16.329 -8.306 -4.850 1.00 0.00 H new ATOM 0 HD11 LEU A 84 17.482 -10.524 -4.686 1.00 0.00 H new ATOM 0 HD12 LEU A 84 16.455 -10.237 -3.261 1.00 0.00 H new ATOM 0 HD13 LEU A 84 15.899 -11.327 -4.553 1.00 0.00 H new ATOM 0 HD21 LEU A 84 16.853 -9.567 -6.898 1.00 0.00 H new ATOM 0 HD22 LEU A 84 15.292 -10.414 -6.781 1.00 0.00 H new ATOM 0 HD23 LEU A 84 15.332 -8.659 -7.072 1.00 0.00 H new ATOM 427 N LEU A 85 16.201 -7.482 -2.434 1.00 0.00 N ATOM 428 CA LEU A 85 17.306 -7.184 -1.547 1.00 0.00 C ATOM 429 C LEU A 85 16.825 -6.597 -0.215 1.00 0.00 C ATOM 430 O LEU A 85 17.590 -6.635 0.742 1.00 0.00 O ATOM 431 CB LEU A 85 18.298 -6.220 -2.229 1.00 0.00 C ATOM 432 CG LEU A 85 18.901 -6.709 -3.564 1.00 0.00 C ATOM 433 CD1 LEU A 85 19.867 -5.666 -4.125 1.00 0.00 C ATOM 434 CD2 LEU A 85 19.605 -8.060 -3.439 1.00 0.00 C ATOM 0 H LEU A 85 16.244 -6.960 -3.309 1.00 0.00 H new ATOM 0 HA LEU A 85 17.814 -8.124 -1.329 1.00 0.00 H new ATOM 0 HB2 LEU A 85 17.790 -5.272 -2.407 1.00 0.00 H new ATOM 0 HB3 LEU A 85 19.114 -6.019 -1.536 1.00 0.00 H new ATOM 0 HG LEU A 85 18.067 -6.846 -4.252 1.00 0.00 H new ATOM 0 HD11 LEU A 85 20.284 -6.025 -5.066 1.00 0.00 H new ATOM 0 HD12 LEU A 85 19.333 -4.731 -4.298 1.00 0.00 H new ATOM 0 HD13 LEU A 85 20.674 -5.497 -3.412 1.00 0.00 H new ATOM 0 HD21 LEU A 85 20.008 -8.351 -4.409 1.00 0.00 H new ATOM 0 HD22 LEU A 85 20.418 -7.981 -2.717 1.00 0.00 H new ATOM 0 HD23 LEU A 85 18.892 -8.812 -3.102 1.00 0.00 H new ATOM 446 N LEU A 86 15.578 -6.119 -0.110 1.00 0.00 N ATOM 447 CA LEU A 86 14.988 -5.613 1.130 1.00 0.00 C ATOM 448 C LEU A 86 14.521 -6.796 1.955 1.00 0.00 C ATOM 449 O LEU A 86 14.926 -6.960 3.106 1.00 0.00 O ATOM 450 CB LEU A 86 13.815 -4.669 0.818 1.00 0.00 C ATOM 451 CG LEU A 86 13.204 -3.942 2.024 1.00 0.00 C ATOM 452 CD1 LEU A 86 12.525 -2.671 1.515 1.00 0.00 C ATOM 453 CD2 LEU A 86 12.171 -4.794 2.764 1.00 0.00 C ATOM 0 H LEU A 86 14.940 -6.074 -0.904 1.00 0.00 H new ATOM 0 HA LEU A 86 15.729 -5.044 1.692 1.00 0.00 H new ATOM 0 HB2 LEU A 86 14.155 -3.922 0.101 1.00 0.00 H new ATOM 0 HB3 LEU A 86 13.030 -5.245 0.329 1.00 0.00 H new ATOM 0 HG LEU A 86 14.005 -3.721 2.729 1.00 0.00 H new ATOM 0 HD11 LEU A 86 12.082 -2.134 2.354 1.00 0.00 H new ATOM 0 HD12 LEU A 86 13.263 -2.035 1.027 1.00 0.00 H new ATOM 0 HD13 LEU A 86 11.745 -2.936 0.801 1.00 0.00 H new ATOM 0 HD21 LEU A 86 11.772 -4.231 3.607 1.00 0.00 H new ATOM 0 HD22 LEU A 86 11.359 -5.054 2.084 1.00 0.00 H new ATOM 0 HD23 LEU A 86 12.645 -5.705 3.128 1.00 0.00 H new ATOM 465 N ALA A 87 13.671 -7.642 1.362 1.00 0.00 N ATOM 466 CA ALA A 87 13.164 -8.839 2.017 1.00 0.00 C ATOM 467 C ALA A 87 14.299 -9.793 2.400 1.00 0.00 C ATOM 468 O ALA A 87 14.141 -10.576 3.339 1.00 0.00 O ATOM 469 CB ALA A 87 12.156 -9.539 1.109 1.00 0.00 C ATOM 0 H ALA A 87 13.319 -7.510 0.414 1.00 0.00 H new ATOM 0 HA ALA A 87 12.666 -8.538 2.939 1.00 0.00 H new ATOM 0 HB1 ALA A 87 11.780 -10.434 1.605 1.00 0.00 H new ATOM 0 HB2 ALA A 87 11.326 -8.865 0.899 1.00 0.00 H new ATOM 0 HB3 ALA A 87 12.641 -9.819 0.174 1.00 0.00 H new ATOM 475 N ASN A 88 15.441 -9.700 1.708 1.00 0.00 N ATOM 476 CA ASN A 88 16.696 -10.350 2.062 1.00 0.00 C ATOM 477 C ASN A 88 17.077 -10.028 3.513 1.00 0.00 C ATOM 478 O ASN A 88 17.391 -10.954 4.260 1.00 0.00 O ATOM 479 CB ASN A 88 17.798 -9.927 1.073 1.00 0.00 C ATOM 480 CG ASN A 88 19.003 -10.864 1.023 1.00 0.00 C ATOM 481 OD1 ASN A 88 19.392 -11.477 2.009 1.00 0.00 O ATOM 482 ND2 ASN A 88 19.634 -10.973 -0.139 1.00 0.00 N ATOM 0 H ASN A 88 15.513 -9.147 0.854 1.00 0.00 H new ATOM 0 HA ASN A 88 16.577 -11.431 1.992 1.00 0.00 H new ATOM 0 HB2 ASN A 88 17.365 -9.860 0.075 1.00 0.00 H new ATOM 0 HB3 ASN A 88 18.142 -8.928 1.339 1.00 0.00 H new ATOM 0 HD21 ASN A 88 20.455 -11.573 -0.219 1.00 0.00 H new ATOM 0 HD22 ASN A 88 19.298 -10.456 -0.952 1.00 0.00 H new ATOM 489 N LYS A 89 17.029 -8.748 3.923 1.00 0.00 N ATOM 490 CA LYS A 89 17.259 -8.338 5.312 1.00 0.00 C ATOM 491 C LYS A 89 16.113 -8.883 6.167 1.00 0.00 C ATOM 492 O LYS A 89 16.236 -9.932 6.802 1.00 0.00 O ATOM 493 CB LYS A 89 17.358 -6.801 5.526 1.00 0.00 C ATOM 494 CG LYS A 89 18.621 -6.066 5.063 1.00 0.00 C ATOM 495 CD LYS A 89 18.714 -5.959 3.542 1.00 0.00 C ATOM 496 CE LYS A 89 19.944 -6.708 3.023 1.00 0.00 C ATOM 497 NZ LYS A 89 21.124 -5.820 2.953 1.00 0.00 N ATOM 0 H LYS A 89 16.829 -7.969 3.295 1.00 0.00 H new ATOM 0 HA LYS A 89 18.228 -8.744 5.601 1.00 0.00 H new ATOM 0 HB2 LYS A 89 16.507 -6.343 5.021 1.00 0.00 H new ATOM 0 HB3 LYS A 89 17.238 -6.609 6.592 1.00 0.00 H new ATOM 0 HG2 LYS A 89 18.634 -5.066 5.495 1.00 0.00 H new ATOM 0 HG3 LYS A 89 19.500 -6.588 5.441 1.00 0.00 H new ATOM 0 HD2 LYS A 89 17.813 -6.370 3.087 1.00 0.00 H new ATOM 0 HD3 LYS A 89 18.769 -4.911 3.249 1.00 0.00 H new ATOM 0 HE2 LYS A 89 20.160 -7.553 3.677 1.00 0.00 H new ATOM 0 HE3 LYS A 89 19.734 -7.116 2.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 21.991 -6.394 2.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 21.089 -5.265 2.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 21.122 -5.175 3.769 1.00 0.00 H new ATOM 511 N ALA A 90 15.002 -8.137 6.191 1.00 0.00 N ATOM 512 CA ALA A 90 14.069 -8.045 7.309 1.00 0.00 C ATOM 513 C ALA A 90 14.784 -8.131 8.675 1.00 0.00 C ATOM 514 O ALA A 90 15.982 -7.860 8.800 1.00 0.00 O ATOM 515 CB ALA A 90 12.924 -9.047 7.116 1.00 0.00 C ATOM 0 H ALA A 90 14.722 -7.560 5.398 1.00 0.00 H new ATOM 0 HA ALA A 90 13.613 -7.055 7.319 1.00 0.00 H new ATOM 0 HB1 ALA A 90 12.231 -8.973 7.954 1.00 0.00 H new ATOM 0 HB2 ALA A 90 12.397 -8.823 6.189 1.00 0.00 H new ATOM 0 HB3 ALA A 90 13.329 -10.058 7.068 1.00 0.00 H new ATOM 521 N HIS A 91 14.022 -8.433 9.725 1.00 0.00 N ATOM 522 CA HIS A 91 14.535 -8.716 11.062 1.00 0.00 C ATOM 523 C HIS A 91 13.610 -9.781 11.641 1.00 0.00 C ATOM 524 O HIS A 91 13.976 -10.944 11.789 1.00 0.00 O ATOM 525 CB HIS A 91 14.622 -7.452 11.956 1.00 0.00 C ATOM 526 CG HIS A 91 14.693 -6.131 11.228 1.00 0.00 C ATOM 527 ND1 HIS A 91 15.835 -5.452 10.871 1.00 0.00 N ATOM 528 CD2 HIS A 91 13.627 -5.429 10.736 1.00 0.00 C ATOM 529 CE1 HIS A 91 15.470 -4.370 10.166 1.00 0.00 C ATOM 530 NE2 HIS A 91 14.132 -4.322 10.054 1.00 0.00 N ATOM 0 H HIS A 91 13.005 -8.489 9.667 1.00 0.00 H new ATOM 0 HA HIS A 91 15.565 -9.071 11.016 1.00 0.00 H new ATOM 0 HB2 HIS A 91 13.753 -7.436 12.614 1.00 0.00 H new ATOM 0 HB3 HIS A 91 15.502 -7.541 12.593 1.00 0.00 H new ATOM 0 HD1 HIS A 91 16.791 -5.723 11.102 1.00 0.00 H new ATOM 0 HD2 HIS A 91 12.584 -5.685 10.854 1.00 0.00 H new ATOM 0 HE1 HIS A 91 16.152 -3.644 9.749 1.00 0.00 H new ATOM 538 N SER A 92 12.357 -9.393 11.853 1.00 0.00 N ATOM 539 CA SER A 92 11.301 -10.192 12.441 1.00 0.00 C ATOM 540 C SER A 92 10.128 -10.101 11.477 1.00 0.00 C ATOM 541 O SER A 92 9.654 -8.995 11.215 1.00 0.00 O ATOM 542 CB SER A 92 10.964 -9.606 13.813 1.00 0.00 C ATOM 543 OG SER A 92 12.140 -9.450 14.589 1.00 0.00 O ATOM 0 H SER A 92 12.038 -8.457 11.603 1.00 0.00 H new ATOM 0 HA SER A 92 11.577 -11.236 12.591 1.00 0.00 H new ATOM 0 HB2 SER A 92 10.471 -8.642 13.692 1.00 0.00 H new ATOM 0 HB3 SER A 92 10.263 -10.260 14.332 1.00 0.00 H new ATOM 0 HG SER A 92 11.908 -9.073 15.463 1.00 0.00 H new ATOM 549 N ARG A 93 9.736 -11.214 10.855 1.00 0.00 N ATOM 550 CA ARG A 93 8.853 -11.212 9.688 1.00 0.00 C ATOM 551 C ARG A 93 7.848 -12.366 9.743 1.00 0.00 C ATOM 552 O ARG A 93 7.268 -12.714 8.714 1.00 0.00 O ATOM 553 CB ARG A 93 9.753 -11.263 8.435 1.00 0.00 C ATOM 554 CG ARG A 93 9.033 -10.896 7.125 1.00 0.00 C ATOM 555 CD ARG A 93 8.986 -12.060 6.126 1.00 0.00 C ATOM 556 NE ARG A 93 8.259 -11.679 4.903 1.00 0.00 N ATOM 557 CZ ARG A 93 8.673 -11.805 3.635 1.00 0.00 C ATOM 558 NH1 ARG A 93 9.893 -12.249 3.352 1.00 0.00 N ATOM 559 NH2 ARG A 93 7.872 -11.449 2.638 1.00 0.00 N ATOM 0 H ARG A 93 10.024 -12.147 11.149 1.00 0.00 H new ATOM 0 HA ARG A 93 8.245 -10.308 9.663 1.00 0.00 H new ATOM 0 HB2 ARG A 93 10.593 -10.583 8.577 1.00 0.00 H new ATOM 0 HB3 ARG A 93 10.167 -12.267 8.340 1.00 0.00 H new ATOM 0 HG2 ARG A 93 8.016 -10.577 7.352 1.00 0.00 H new ATOM 0 HG3 ARG A 93 9.538 -10.047 6.664 1.00 0.00 H new ATOM 0 HD2 ARG A 93 10.001 -12.365 5.870 1.00 0.00 H new ATOM 0 HD3 ARG A 93 8.502 -12.920 6.588 1.00 0.00 H new ATOM 0 HE ARG A 93 7.333 -11.272 5.037 1.00 0.00 H new ATOM 0 HH11 ARG A 93 10.532 -12.501 4.106 1.00 0.00 H new ATOM 0 HH12 ARG A 93 10.191 -12.338 2.380 1.00 0.00 H new ATOM 0 HH21 ARG A 93 6.942 -11.080 2.838 1.00 0.00 H new ATOM 0 HH22 ARG A 93 8.186 -11.545 1.672 1.00 0.00 H new ATOM 573 N SER A 94 7.679 -12.994 10.909 1.00 0.00 N ATOM 574 CA SER A 94 7.581 -14.440 11.036 1.00 0.00 C ATOM 575 C SER A 94 8.941 -15.074 10.700 1.00 0.00 C ATOM 576 O SER A 94 9.945 -14.367 10.516 1.00 0.00 O ATOM 577 CB SER A 94 6.390 -15.002 10.236 1.00 0.00 C ATOM 578 OG SER A 94 6.012 -16.262 10.741 1.00 0.00 O ATOM 0 H SER A 94 7.606 -12.502 11.799 1.00 0.00 H new ATOM 0 HA SER A 94 7.357 -14.711 12.068 1.00 0.00 H new ATOM 0 HB2 SER A 94 5.548 -14.313 10.292 1.00 0.00 H new ATOM 0 HB3 SER A 94 6.660 -15.091 9.184 1.00 0.00 H new ATOM 0 HG SER A 94 5.253 -16.607 10.225 1.00 0.00 H new ATOM 584 N SER A 95 8.985 -16.404 10.689 1.00 0.00 N ATOM 585 CA SER A 95 10.196 -17.209 10.742 1.00 0.00 C ATOM 586 C SER A 95 10.097 -18.276 9.656 1.00 0.00 C ATOM 587 O SER A 95 9.543 -19.356 9.858 1.00 0.00 O ATOM 588 CB SER A 95 10.342 -17.770 12.160 1.00 0.00 C ATOM 589 OG SER A 95 10.385 -16.697 13.090 1.00 0.00 O ATOM 0 H SER A 95 8.139 -16.972 10.641 1.00 0.00 H new ATOM 0 HA SER A 95 11.099 -16.632 10.542 1.00 0.00 H new ATOM 0 HB2 SER A 95 9.506 -18.431 12.389 1.00 0.00 H new ATOM 0 HB3 SER A 95 11.251 -18.367 12.235 1.00 0.00 H new ATOM 0 HG SER A 95 10.477 -17.054 13.998 1.00 0.00 H new ATOM 595 N SER A 96 10.517 -17.918 8.444 1.00 0.00 N ATOM 596 CA SER A 96 10.365 -18.690 7.217 1.00 0.00 C ATOM 597 C SER A 96 11.360 -18.161 6.177 1.00 0.00 C ATOM 598 O SER A 96 12.182 -17.290 6.486 1.00 0.00 O ATOM 599 CB SER A 96 8.910 -18.540 6.735 1.00 0.00 C ATOM 600 OG SER A 96 8.061 -19.327 7.553 1.00 0.00 O ATOM 0 H SER A 96 10.998 -17.033 8.286 1.00 0.00 H new ATOM 0 HA SER A 96 10.573 -19.747 7.380 1.00 0.00 H new ATOM 0 HB2 SER A 96 8.607 -17.494 6.777 1.00 0.00 H new ATOM 0 HB3 SER A 96 8.825 -18.855 5.695 1.00 0.00 H new ATOM 0 HG SER A 96 8.488 -19.473 8.423 1.00 0.00 H new ATOM 606 N GLY A 97 11.290 -18.668 4.942 1.00 0.00 N ATOM 607 CA GLY A 97 11.559 -17.811 3.802 1.00 0.00 C ATOM 608 C GLY A 97 10.209 -17.231 3.409 1.00 0.00 C ATOM 609 O GLY A 97 9.647 -16.455 4.181 1.00 0.00 O ATOM 0 H GLY A 97 11.057 -19.635 4.718 1.00 0.00 H new ATOM 0 HA2 GLY A 97 12.266 -17.022 4.061 1.00 0.00 H new ATOM 0 HA3 GLY A 97 11.999 -18.376 2.980 1.00 0.00 H new ATOM 613 N GLU A 98 9.643 -17.713 2.303 1.00 0.00 N ATOM 614 CA GLU A 98 8.299 -17.478 1.799 1.00 0.00 C ATOM 615 C GLU A 98 7.938 -18.618 0.842 1.00 0.00 C ATOM 616 O GLU A 98 8.820 -19.363 0.400 1.00 0.00 O ATOM 617 CB GLU A 98 8.288 -16.172 0.992 1.00 0.00 C ATOM 618 CG GLU A 98 8.114 -14.935 1.871 1.00 0.00 C ATOM 619 CD GLU A 98 6.821 -14.198 1.542 1.00 0.00 C ATOM 620 OE1 GLU A 98 6.688 -13.653 0.419 1.00 0.00 O ATOM 621 OE2 GLU A 98 5.915 -14.168 2.406 1.00 0.00 O ATOM 0 H GLU A 98 10.165 -18.334 1.684 1.00 0.00 H new ATOM 0 HA GLU A 98 7.595 -17.421 2.630 1.00 0.00 H new ATOM 0 HB2 GLU A 98 9.220 -16.087 0.434 1.00 0.00 H new ATOM 0 HB3 GLU A 98 7.481 -16.209 0.261 1.00 0.00 H new ATOM 0 HG2 GLU A 98 8.110 -15.230 2.920 1.00 0.00 H new ATOM 0 HG3 GLU A 98 8.962 -14.265 1.731 1.00 0.00 H new ATOM 628 N THR A 99 6.676 -18.670 0.409 1.00 0.00 N ATOM 629 CA THR A 99 6.253 -19.447 -0.753 1.00 0.00 C ATOM 630 C THR A 99 6.984 -18.958 -2.028 1.00 0.00 C ATOM 631 O THR A 99 7.525 -17.843 -2.062 1.00 0.00 O ATOM 632 CB THR A 99 4.708 -19.392 -0.836 1.00 0.00 C ATOM 633 OG1 THR A 99 4.110 -20.672 -0.732 1.00 0.00 O ATOM 634 CG2 THR A 99 4.057 -18.623 -1.988 1.00 0.00 C ATOM 0 H THR A 99 5.913 -18.167 0.862 1.00 0.00 H new ATOM 0 HA THR A 99 6.534 -20.496 -0.657 1.00 0.00 H new ATOM 0 HB THR A 99 4.497 -18.780 0.041 1.00 0.00 H new ATOM 0 HG1 THR A 99 3.136 -20.583 -0.788 1.00 0.00 H new ATOM 0 HG21 THR A 99 2.972 -18.683 -1.899 1.00 0.00 H new ATOM 0 HG22 THR A 99 4.367 -17.579 -1.949 1.00 0.00 H new ATOM 0 HG23 THR A 99 4.367 -19.059 -2.938 1.00 0.00 H new ATOM 642 N PRO A 100 7.035 -19.790 -3.079 1.00 0.00 N ATOM 643 CA PRO A 100 7.665 -19.460 -4.350 1.00 0.00 C ATOM 644 C PRO A 100 6.767 -18.544 -5.202 1.00 0.00 C ATOM 645 O PRO A 100 5.592 -18.349 -4.892 1.00 0.00 O ATOM 646 CB PRO A 100 7.891 -20.824 -5.014 1.00 0.00 C ATOM 647 CG PRO A 100 6.702 -21.654 -4.528 1.00 0.00 C ATOM 648 CD PRO A 100 6.456 -21.122 -3.116 1.00 0.00 C ATOM 0 HA PRO A 100 8.594 -18.903 -4.229 1.00 0.00 H new ATOM 0 HB2 PRO A 100 7.908 -20.744 -6.101 1.00 0.00 H new ATOM 0 HB3 PRO A 100 8.840 -21.266 -4.712 1.00 0.00 H new ATOM 0 HG2 PRO A 100 5.829 -21.519 -5.167 1.00 0.00 H new ATOM 0 HG3 PRO A 100 6.931 -22.720 -4.522 1.00 0.00 H new ATOM 0 HD2 PRO A 100 5.390 -21.089 -2.892 1.00 0.00 H new ATOM 0 HD3 PRO A 100 6.918 -21.769 -2.370 1.00 0.00 H new ATOM 656 N ALA A 101 7.320 -18.069 -6.325 1.00 0.00 N ATOM 657 CA ALA A 101 6.701 -17.178 -7.306 1.00 0.00 C ATOM 658 C ALA A 101 6.297 -15.817 -6.711 1.00 0.00 C ATOM 659 O ALA A 101 6.439 -15.573 -5.510 1.00 0.00 O ATOM 660 CB ALA A 101 5.577 -17.901 -8.060 1.00 0.00 C ATOM 0 H ALA A 101 8.275 -18.315 -6.587 1.00 0.00 H new ATOM 0 HA ALA A 101 7.454 -16.920 -8.051 1.00 0.00 H new ATOM 0 HB1 ALA A 101 5.129 -17.221 -8.785 1.00 0.00 H new ATOM 0 HB2 ALA A 101 5.986 -18.767 -8.580 1.00 0.00 H new ATOM 0 HB3 ALA A 101 4.816 -18.229 -7.352 1.00 0.00 H new ATOM 666 N GLN A 102 5.895 -14.877 -7.572 1.00 0.00 N ATOM 667 CA GLN A 102 6.131 -13.455 -7.329 1.00 0.00 C ATOM 668 C GLN A 102 4.798 -12.683 -7.338 1.00 0.00 C ATOM 669 O GLN A 102 3.910 -12.997 -8.134 1.00 0.00 O ATOM 670 CB GLN A 102 7.149 -12.923 -8.356 1.00 0.00 C ATOM 671 CG GLN A 102 8.505 -13.664 -8.269 1.00 0.00 C ATOM 672 CD GLN A 102 9.405 -13.465 -9.487 1.00 0.00 C ATOM 673 OE1 GLN A 102 8.978 -13.583 -10.633 1.00 0.00 O ATOM 674 NE2 GLN A 102 10.696 -13.281 -9.294 1.00 0.00 N ATOM 0 H GLN A 102 5.404 -15.078 -8.443 1.00 0.00 H new ATOM 0 HA GLN A 102 6.563 -13.306 -6.339 1.00 0.00 H new ATOM 0 HB2 GLN A 102 6.741 -13.032 -9.361 1.00 0.00 H new ATOM 0 HB3 GLN A 102 7.307 -11.857 -8.190 1.00 0.00 H new ATOM 0 HG2 GLN A 102 9.036 -13.325 -7.379 1.00 0.00 H new ATOM 0 HG3 GLN A 102 8.317 -14.730 -8.140 1.00 0.00 H new ATOM 0 HE21 GLN A 102 11.061 -13.182 -8.347 1.00 0.00 H new ATOM 0 HE22 GLN A 102 11.330 -13.238 -10.092 1.00 0.00 H new ATOM 683 N PRO A 103 4.624 -11.699 -6.440 1.00 0.00 N ATOM 684 CA PRO A 103 3.324 -11.134 -6.089 1.00 0.00 C ATOM 685 C PRO A 103 2.836 -10.069 -7.069 1.00 0.00 C ATOM 686 O PRO A 103 3.619 -9.461 -7.799 1.00 0.00 O ATOM 687 CB PRO A 103 3.541 -10.515 -4.701 1.00 0.00 C ATOM 688 CG PRO A 103 5.001 -10.067 -4.754 1.00 0.00 C ATOM 689 CD PRO A 103 5.648 -11.207 -5.538 1.00 0.00 C ATOM 0 HA PRO A 103 2.554 -11.905 -6.113 1.00 0.00 H new ATOM 0 HB2 PRO A 103 2.867 -9.677 -4.522 1.00 0.00 H new ATOM 0 HB3 PRO A 103 3.369 -11.238 -3.904 1.00 0.00 H new ATOM 0 HG2 PRO A 103 5.116 -9.107 -5.258 1.00 0.00 H new ATOM 0 HG3 PRO A 103 5.432 -9.959 -3.759 1.00 0.00 H new ATOM 0 HD2 PRO A 103 6.520 -10.856 -6.090 1.00 0.00 H new ATOM 0 HD3 PRO A 103 5.991 -11.996 -4.869 1.00 0.00 H new ATOM 697 N GLU A 104 1.550 -9.735 -6.955 1.00 0.00 N ATOM 698 CA GLU A 104 0.842 -8.639 -7.626 1.00 0.00 C ATOM 699 C GLU A 104 1.244 -7.248 -7.102 1.00 0.00 C ATOM 700 O GLU A 104 0.467 -6.295 -7.155 1.00 0.00 O ATOM 701 CB GLU A 104 -0.672 -8.903 -7.472 1.00 0.00 C ATOM 702 CG GLU A 104 -1.187 -9.857 -8.554 1.00 0.00 C ATOM 703 CD GLU A 104 -1.539 -9.092 -9.829 1.00 0.00 C ATOM 704 OE1 GLU A 104 -0.631 -8.787 -10.633 1.00 0.00 O ATOM 705 OE2 GLU A 104 -2.720 -8.688 -9.976 1.00 0.00 O ATOM 0 H GLU A 104 0.926 -10.263 -6.345 1.00 0.00 H new ATOM 0 HA GLU A 104 1.120 -8.622 -8.680 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -0.871 -9.326 -6.487 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -1.215 -7.959 -7.529 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -0.429 -10.609 -8.773 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -2.066 -10.388 -8.189 1.00 0.00 H new ATOM 712 N LYS A 105 2.442 -7.126 -6.534 1.00 0.00 N ATOM 713 CA LYS A 105 3.054 -5.880 -6.111 1.00 0.00 C ATOM 714 C LYS A 105 4.349 -5.749 -6.902 1.00 0.00 C ATOM 715 O LYS A 105 5.359 -6.363 -6.529 1.00 0.00 O ATOM 716 CB LYS A 105 3.304 -5.881 -4.591 1.00 0.00 C ATOM 717 CG LYS A 105 2.077 -5.616 -3.703 1.00 0.00 C ATOM 718 CD LYS A 105 0.990 -6.701 -3.657 1.00 0.00 C ATOM 719 CE LYS A 105 -0.031 -6.353 -2.563 1.00 0.00 C ATOM 720 NZ LYS A 105 -1.275 -7.142 -2.677 1.00 0.00 N ATOM 0 H LYS A 105 3.036 -7.935 -6.350 1.00 0.00 H new ATOM 0 HA LYS A 105 2.403 -5.028 -6.305 1.00 0.00 H new ATOM 0 HB2 LYS A 105 3.726 -6.847 -4.313 1.00 0.00 H new ATOM 0 HB3 LYS A 105 4.059 -5.127 -4.367 1.00 0.00 H new ATOM 0 HG2 LYS A 105 2.428 -5.448 -2.685 1.00 0.00 H new ATOM 0 HG3 LYS A 105 1.613 -4.688 -4.038 1.00 0.00 H new ATOM 0 HD2 LYS A 105 0.493 -6.775 -4.624 1.00 0.00 H new ATOM 0 HD3 LYS A 105 1.439 -7.673 -3.455 1.00 0.00 H new ATOM 0 HE2 LYS A 105 0.417 -6.526 -1.584 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -0.272 -5.291 -2.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -1.930 -6.869 -1.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -1.719 -6.958 -3.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -1.052 -8.155 -2.596 1.00 0.00 H new ATOM 734 N THR A 106 4.335 -4.992 -7.996 1.00 0.00 N ATOM 735 CA THR A 106 5.502 -4.750 -8.841 1.00 0.00 C ATOM 736 C THR A 106 5.665 -3.287 -9.259 1.00 0.00 C ATOM 737 O THR A 106 6.657 -2.990 -9.930 1.00 0.00 O ATOM 738 CB THR A 106 5.553 -5.789 -9.986 1.00 0.00 C ATOM 739 OG1 THR A 106 6.687 -5.643 -10.822 1.00 0.00 O ATOM 740 CG2 THR A 106 4.327 -5.843 -10.890 1.00 0.00 C ATOM 0 H THR A 106 3.494 -4.519 -8.327 1.00 0.00 H new ATOM 0 HA THR A 106 6.402 -4.912 -8.247 1.00 0.00 H new ATOM 0 HB THR A 106 5.599 -6.723 -9.426 1.00 0.00 H new ATOM 0 HG1 THR A 106 7.106 -4.773 -10.656 1.00 0.00 H new ATOM 0 HG21 THR A 106 4.473 -6.605 -11.656 1.00 0.00 H new ATOM 0 HG22 THR A 106 3.447 -6.089 -10.296 1.00 0.00 H new ATOM 0 HG23 THR A 106 4.183 -4.873 -11.366 1.00 0.00 H new ATOM 748 N SER A 107 4.802 -2.375 -8.807 1.00 0.00 N ATOM 749 CA SER A 107 5.079 -0.946 -8.895 1.00 0.00 C ATOM 750 C SER A 107 5.583 -0.414 -7.548 1.00 0.00 C ATOM 751 O SER A 107 5.183 -0.924 -6.498 1.00 0.00 O ATOM 752 CB SER A 107 3.813 -0.185 -9.302 1.00 0.00 C ATOM 753 OG SER A 107 3.144 -0.757 -10.411 1.00 0.00 O ATOM 0 H SER A 107 3.906 -2.604 -8.377 1.00 0.00 H new ATOM 0 HA SER A 107 5.850 -0.793 -9.650 1.00 0.00 H new ATOM 0 HB2 SER A 107 3.130 -0.151 -8.453 1.00 0.00 H new ATOM 0 HB3 SER A 107 4.078 0.845 -9.539 1.00 0.00 H new ATOM 0 HG SER A 107 2.216 -0.956 -10.166 1.00 0.00 H new ATOM 759 N GLY A 108 6.369 0.667 -7.543 1.00 0.00 N ATOM 760 CA GLY A 108 6.769 1.345 -6.309 1.00 0.00 C ATOM 761 C GLY A 108 5.585 1.909 -5.527 1.00 0.00 C ATOM 762 O GLY A 108 5.618 1.988 -4.300 1.00 0.00 O ATOM 0 H GLY A 108 6.744 1.094 -8.390 1.00 0.00 H new ATOM 0 HA2 GLY A 108 7.314 0.645 -5.677 1.00 0.00 H new ATOM 0 HA3 GLY A 108 7.456 2.156 -6.553 1.00 0.00 H new ATOM 766 N MET A 109 4.506 2.261 -6.225 1.00 0.00 N ATOM 767 CA MET A 109 3.274 2.719 -5.598 1.00 0.00 C ATOM 768 C MET A 109 2.637 1.584 -4.784 1.00 0.00 C ATOM 769 O MET A 109 2.074 1.821 -3.720 1.00 0.00 O ATOM 770 CB MET A 109 2.303 3.249 -6.668 1.00 0.00 C ATOM 771 CG MET A 109 2.984 4.137 -7.728 1.00 0.00 C ATOM 772 SD MET A 109 2.332 5.809 -7.931 1.00 0.00 S ATOM 773 CE MET A 109 3.056 6.550 -6.449 1.00 0.00 C ATOM 0 H MET A 109 4.465 2.235 -7.244 1.00 0.00 H new ATOM 0 HA MET A 109 3.504 3.535 -4.913 1.00 0.00 H new ATOM 0 HB2 MET A 109 1.826 2.404 -7.165 1.00 0.00 H new ATOM 0 HB3 MET A 109 1.513 3.820 -6.180 1.00 0.00 H new ATOM 0 HG2 MET A 109 4.042 4.213 -7.478 1.00 0.00 H new ATOM 0 HG3 MET A 109 2.919 3.628 -8.690 1.00 0.00 H new ATOM 0 HE1 MET A 109 2.739 7.590 -6.370 1.00 0.00 H new ATOM 0 HE2 MET A 109 2.723 6.001 -5.568 1.00 0.00 H new ATOM 0 HE3 MET A 109 4.143 6.507 -6.514 1.00 0.00 H new ATOM 783 N GLU A 110 2.733 0.347 -5.268 1.00 0.00 N ATOM 784 CA GLU A 110 2.051 -0.799 -4.705 1.00 0.00 C ATOM 785 C GLU A 110 2.829 -1.369 -3.527 1.00 0.00 C ATOM 786 O GLU A 110 2.242 -1.687 -2.495 1.00 0.00 O ATOM 787 CB GLU A 110 1.971 -1.871 -5.791 1.00 0.00 C ATOM 788 CG GLU A 110 1.041 -1.513 -6.955 1.00 0.00 C ATOM 789 CD GLU A 110 1.369 -2.301 -8.226 1.00 0.00 C ATOM 790 OE1 GLU A 110 2.142 -3.284 -8.186 1.00 0.00 O ATOM 791 OE2 GLU A 110 1.000 -1.811 -9.317 1.00 0.00 O ATOM 0 H GLU A 110 3.303 0.117 -6.082 1.00 0.00 H new ATOM 0 HA GLU A 110 1.063 -0.497 -4.359 1.00 0.00 H new ATOM 0 HB2 GLU A 110 2.972 -2.052 -6.182 1.00 0.00 H new ATOM 0 HB3 GLU A 110 1.631 -2.804 -5.342 1.00 0.00 H new ATOM 0 HG2 GLU A 110 0.009 -1.709 -6.665 1.00 0.00 H new ATOM 0 HG3 GLU A 110 1.117 -0.446 -7.162 1.00 0.00 H new ATOM 798 N VAL A 111 4.147 -1.539 -3.661 1.00 0.00 N ATOM 799 CA VAL A 111 4.983 -2.156 -2.657 1.00 0.00 C ATOM 800 C VAL A 111 4.936 -1.383 -1.342 1.00 0.00 C ATOM 801 O VAL A 111 5.020 -1.988 -0.282 1.00 0.00 O ATOM 802 CB VAL A 111 6.401 -2.262 -3.208 1.00 0.00 C ATOM 803 CG1 VAL A 111 6.479 -3.243 -4.393 1.00 0.00 C ATOM 804 CG2 VAL A 111 7.046 -0.924 -3.493 1.00 0.00 C ATOM 0 H VAL A 111 4.662 -1.242 -4.490 1.00 0.00 H new ATOM 0 HA VAL A 111 4.612 -3.156 -2.432 1.00 0.00 H new ATOM 0 HB VAL A 111 7.008 -2.687 -2.409 1.00 0.00 H new ATOM 0 HG11 VAL A 111 7.505 -3.291 -4.758 1.00 0.00 H new ATOM 0 HG12 VAL A 111 6.163 -4.234 -4.067 1.00 0.00 H new ATOM 0 HG13 VAL A 111 5.825 -2.899 -5.194 1.00 0.00 H new ATOM 0 HG21 VAL A 111 8.052 -1.081 -3.882 1.00 0.00 H new ATOM 0 HG22 VAL A 111 6.452 -0.383 -4.230 1.00 0.00 H new ATOM 0 HG23 VAL A 111 7.099 -0.342 -2.573 1.00 0.00 H new ATOM 814 N ALA A 112 4.704 -0.075 -1.394 1.00 0.00 N ATOM 815 CA ALA A 112 4.422 0.734 -0.220 1.00 0.00 C ATOM 816 C ALA A 112 3.357 0.083 0.670 1.00 0.00 C ATOM 817 O ALA A 112 3.587 -0.074 1.865 1.00 0.00 O ATOM 818 CB ALA A 112 3.984 2.128 -0.665 1.00 0.00 C ATOM 0 H ALA A 112 4.707 0.456 -2.265 1.00 0.00 H new ATOM 0 HA ALA A 112 5.330 0.813 0.378 1.00 0.00 H new ATOM 0 HB1 ALA A 112 3.771 2.740 0.212 1.00 0.00 H new ATOM 0 HB2 ALA A 112 4.781 2.592 -1.246 1.00 0.00 H new ATOM 0 HB3 ALA A 112 3.087 2.049 -1.279 1.00 0.00 H new ATOM 824 N SER A 113 2.229 -0.360 0.102 1.00 0.00 N ATOM 825 CA SER A 113 1.191 -1.040 0.876 1.00 0.00 C ATOM 826 C SER A 113 1.696 -2.343 1.500 1.00 0.00 C ATOM 827 O SER A 113 1.268 -2.719 2.585 1.00 0.00 O ATOM 828 CB SER A 113 -0.044 -1.292 0.001 1.00 0.00 C ATOM 829 OG SER A 113 0.160 -2.219 -1.058 1.00 0.00 O ATOM 0 H SER A 113 2.015 -0.259 -0.890 1.00 0.00 H new ATOM 0 HA SER A 113 0.911 -0.384 1.700 1.00 0.00 H new ATOM 0 HB2 SER A 113 -0.853 -1.656 0.634 1.00 0.00 H new ATOM 0 HB3 SER A 113 -0.373 -0.343 -0.423 1.00 0.00 H new ATOM 0 HG SER A 113 0.977 -1.984 -1.546 1.00 0.00 H new ATOM 835 N TYR A 114 2.606 -3.037 0.816 1.00 0.00 N ATOM 836 CA TYR A 114 3.191 -4.291 1.267 1.00 0.00 C ATOM 837 C TYR A 114 4.127 -4.011 2.446 1.00 0.00 C ATOM 838 O TYR A 114 4.113 -4.742 3.434 1.00 0.00 O ATOM 839 CB TYR A 114 3.871 -4.985 0.065 1.00 0.00 C ATOM 840 CG TYR A 114 5.246 -5.591 0.287 1.00 0.00 C ATOM 841 CD1 TYR A 114 5.340 -6.895 0.801 1.00 0.00 C ATOM 842 CD2 TYR A 114 6.425 -4.892 -0.062 1.00 0.00 C ATOM 843 CE1 TYR A 114 6.595 -7.492 0.999 1.00 0.00 C ATOM 844 CE2 TYR A 114 7.683 -5.495 0.121 1.00 0.00 C ATOM 845 CZ TYR A 114 7.775 -6.795 0.671 1.00 0.00 C ATOM 846 OH TYR A 114 8.982 -7.397 0.871 1.00 0.00 O ATOM 0 H TYR A 114 2.963 -2.731 -0.089 1.00 0.00 H new ATOM 0 HA TYR A 114 2.435 -4.984 1.637 1.00 0.00 H new ATOM 0 HB2 TYR A 114 3.208 -5.776 -0.285 1.00 0.00 H new ATOM 0 HB3 TYR A 114 3.951 -4.256 -0.742 1.00 0.00 H new ATOM 0 HD1 TYR A 114 4.441 -7.442 1.045 1.00 0.00 H new ATOM 0 HD2 TYR A 114 6.360 -3.894 -0.470 1.00 0.00 H new ATOM 0 HE1 TYR A 114 6.657 -8.491 1.405 1.00 0.00 H new ATOM 0 HE2 TYR A 114 8.581 -4.964 -0.159 1.00 0.00 H new ATOM 0 HH TYR A 114 9.700 -6.790 0.596 1.00 0.00 H new ATOM 856 N LEU A 115 4.918 -2.943 2.360 1.00 0.00 N ATOM 857 CA LEU A 115 5.904 -2.534 3.346 1.00 0.00 C ATOM 858 C LEU A 115 5.230 -1.978 4.601 1.00 0.00 C ATOM 859 O LEU A 115 5.523 -2.451 5.699 1.00 0.00 O ATOM 860 CB LEU A 115 6.857 -1.508 2.706 1.00 0.00 C ATOM 861 CG LEU A 115 7.919 -2.085 1.753 1.00 0.00 C ATOM 862 CD1 LEU A 115 8.766 -0.948 1.172 1.00 0.00 C ATOM 863 CD2 LEU A 115 8.828 -3.125 2.417 1.00 0.00 C ATOM 0 H LEU A 115 4.883 -2.312 1.560 1.00 0.00 H new ATOM 0 HA LEU A 115 6.484 -3.401 3.663 1.00 0.00 H new ATOM 0 HB2 LEU A 115 6.261 -0.779 2.157 1.00 0.00 H new ATOM 0 HB3 LEU A 115 7.367 -0.967 3.503 1.00 0.00 H new ATOM 0 HG LEU A 115 7.381 -2.602 0.959 1.00 0.00 H new ATOM 0 HD11 LEU A 115 9.516 -1.361 0.498 1.00 0.00 H new ATOM 0 HD12 LEU A 115 8.124 -0.260 0.622 1.00 0.00 H new ATOM 0 HD13 LEU A 115 9.261 -0.413 1.982 1.00 0.00 H new ATOM 0 HD21 LEU A 115 9.553 -3.491 1.690 1.00 0.00 H new ATOM 0 HD22 LEU A 115 9.353 -2.667 3.255 1.00 0.00 H new ATOM 0 HD23 LEU A 115 8.225 -3.958 2.779 1.00 0.00 H new ATOM 875 N VAL A 116 4.322 -1.005 4.482 1.00 0.00 N ATOM 876 CA VAL A 116 3.643 -0.426 5.643 1.00 0.00 C ATOM 877 C VAL A 116 2.740 -1.492 6.310 1.00 0.00 C ATOM 878 O VAL A 116 2.578 -1.478 7.535 1.00 0.00 O ATOM 879 CB VAL A 116 2.932 0.902 5.262 1.00 0.00 C ATOM 880 CG1 VAL A 116 2.421 1.619 6.528 1.00 0.00 C ATOM 881 CG2 VAL A 116 3.890 1.893 4.566 1.00 0.00 C ATOM 0 H VAL A 116 4.040 -0.601 3.589 1.00 0.00 H new ATOM 0 HA VAL A 116 4.367 -0.138 6.405 1.00 0.00 H new ATOM 0 HB VAL A 116 2.118 0.627 4.591 1.00 0.00 H new ATOM 0 HG11 VAL A 116 1.925 2.548 6.245 1.00 0.00 H new ATOM 0 HG12 VAL A 116 1.714 0.975 7.051 1.00 0.00 H new ATOM 0 HG13 VAL A 116 3.262 1.842 7.184 1.00 0.00 H new ATOM 0 HG21 VAL A 116 3.351 2.807 4.318 1.00 0.00 H new ATOM 0 HG22 VAL A 116 4.717 2.130 5.235 1.00 0.00 H new ATOM 0 HG23 VAL A 116 4.280 1.442 3.653 1.00 0.00 H new ATOM 891 N ALA A 117 2.229 -2.482 5.561 1.00 0.00 N ATOM 892 CA ALA A 117 1.525 -3.620 6.146 1.00 0.00 C ATOM 893 C ALA A 117 2.480 -4.581 6.862 1.00 0.00 C ATOM 894 O ALA A 117 2.128 -5.084 7.934 1.00 0.00 O ATOM 895 CB ALA A 117 0.739 -4.384 5.080 1.00 0.00 C ATOM 0 H ALA A 117 2.294 -2.511 4.544 1.00 0.00 H new ATOM 0 HA ALA A 117 0.833 -3.213 6.884 1.00 0.00 H new ATOM 0 HB1 ALA A 117 0.224 -5.226 5.542 1.00 0.00 H new ATOM 0 HB2 ALA A 117 0.008 -3.719 4.621 1.00 0.00 H new ATOM 0 HB3 ALA A 117 1.424 -4.752 4.316 1.00 0.00 H new ATOM 901 N GLN A 118 3.650 -4.886 6.281 1.00 0.00 N ATOM 902 CA GLN A 118 4.663 -5.753 6.890 1.00 0.00 C ATOM 903 C GLN A 118 5.160 -5.143 8.201 1.00 0.00 C ATOM 904 O GLN A 118 5.363 -5.867 9.175 1.00 0.00 O ATOM 905 CB GLN A 118 5.854 -5.955 5.933 1.00 0.00 C ATOM 906 CG GLN A 118 5.638 -7.025 4.852 1.00 0.00 C ATOM 907 CD GLN A 118 6.059 -8.429 5.297 1.00 0.00 C ATOM 908 OE1 GLN A 118 7.222 -8.685 5.604 1.00 0.00 O ATOM 909 NE2 GLN A 118 5.142 -9.384 5.329 1.00 0.00 N ATOM 0 H GLN A 118 3.920 -4.532 5.363 1.00 0.00 H new ATOM 0 HA GLN A 118 4.205 -6.721 7.092 1.00 0.00 H new ATOM 0 HB2 GLN A 118 6.075 -5.006 5.445 1.00 0.00 H new ATOM 0 HB3 GLN A 118 6.732 -6.224 6.520 1.00 0.00 H new ATOM 0 HG2 GLN A 118 4.585 -7.041 4.571 1.00 0.00 H new ATOM 0 HG3 GLN A 118 6.201 -6.750 3.960 1.00 0.00 H new ATOM 0 HE21 GLN A 118 4.177 -9.173 5.075 1.00 0.00 H new ATOM 0 HE22 GLN A 118 5.401 -10.330 5.608 1.00 0.00 H new ATOM 918 N TYR A 119 5.342 -3.822 8.236 1.00 0.00 N ATOM 919 CA TYR A 119 5.918 -3.118 9.372 1.00 0.00 C ATOM 920 C TYR A 119 5.008 -1.968 9.806 1.00 0.00 C ATOM 921 O TYR A 119 4.271 -2.090 10.786 1.00 0.00 O ATOM 922 CB TYR A 119 7.343 -2.654 9.026 1.00 0.00 C ATOM 923 CG TYR A 119 8.229 -3.705 8.385 1.00 0.00 C ATOM 924 CD1 TYR A 119 8.894 -4.673 9.165 1.00 0.00 C ATOM 925 CD2 TYR A 119 8.393 -3.695 6.989 1.00 0.00 C ATOM 926 CE1 TYR A 119 9.693 -5.650 8.540 1.00 0.00 C ATOM 927 CE2 TYR A 119 9.179 -4.670 6.360 1.00 0.00 C ATOM 928 CZ TYR A 119 9.819 -5.665 7.132 1.00 0.00 C ATOM 929 OH TYR A 119 10.559 -6.625 6.519 1.00 0.00 O ATOM 0 H TYR A 119 5.088 -3.207 7.463 1.00 0.00 H new ATOM 0 HA TYR A 119 5.994 -3.792 10.225 1.00 0.00 H new ATOM 0 HB2 TYR A 119 7.276 -1.799 8.353 1.00 0.00 H new ATOM 0 HB3 TYR A 119 7.825 -2.304 9.939 1.00 0.00 H new ATOM 0 HD1 TYR A 119 8.791 -4.665 10.240 1.00 0.00 H new ATOM 0 HD2 TYR A 119 7.910 -2.931 6.397 1.00 0.00 H new ATOM 0 HE1 TYR A 119 10.209 -6.388 9.136 1.00 0.00 H new ATOM 0 HE2 TYR A 119 9.295 -4.661 5.286 1.00 0.00 H new ATOM 0 HH TYR A 119 10.537 -6.486 5.549 1.00 0.00 H new ATOM 939 N GLY A 120 5.071 -0.836 9.112 1.00 0.00 N ATOM 940 CA GLY A 120 4.646 0.476 9.583 1.00 0.00 C ATOM 941 C GLY A 120 5.830 1.428 9.419 1.00 0.00 C ATOM 942 O GLY A 120 6.955 0.948 9.243 1.00 0.00 O ATOM 0 H GLY A 120 5.437 -0.808 8.161 1.00 0.00 H new ATOM 0 HA2 GLY A 120 3.788 0.829 9.011 1.00 0.00 H new ATOM 0 HA3 GLY A 120 4.335 0.427 10.627 1.00 0.00 H new ATOM 946 N GLU A 121 5.592 2.741 9.456 1.00 0.00 N ATOM 947 CA GLU A 121 6.515 3.772 8.964 1.00 0.00 C ATOM 948 C GLU A 121 7.922 3.718 9.569 1.00 0.00 C ATOM 949 O GLU A 121 8.863 4.208 8.945 1.00 0.00 O ATOM 950 CB GLU A 121 5.931 5.179 9.178 1.00 0.00 C ATOM 951 CG GLU A 121 4.841 5.547 8.167 1.00 0.00 C ATOM 952 CD GLU A 121 4.853 7.043 7.825 1.00 0.00 C ATOM 953 OE1 GLU A 121 4.259 7.868 8.552 1.00 0.00 O ATOM 954 OE2 GLU A 121 5.518 7.433 6.834 1.00 0.00 O ATOM 0 H GLU A 121 4.730 3.129 9.839 1.00 0.00 H new ATOM 0 HA GLU A 121 6.625 3.555 7.901 1.00 0.00 H new ATOM 0 HB2 GLU A 121 5.519 5.244 10.185 1.00 0.00 H new ATOM 0 HB3 GLU A 121 6.736 5.911 9.116 1.00 0.00 H new ATOM 0 HG2 GLU A 121 4.981 4.966 7.256 1.00 0.00 H new ATOM 0 HG3 GLU A 121 3.866 5.276 8.571 1.00 0.00 H new ATOM 961 N GLN A 122 8.084 3.132 10.757 1.00 0.00 N ATOM 962 CA GLN A 122 9.357 2.780 11.349 1.00 0.00 C ATOM 963 C GLN A 122 10.135 1.867 10.408 1.00 0.00 C ATOM 964 O GLN A 122 10.987 2.345 9.665 1.00 0.00 O ATOM 965 CB GLN A 122 9.068 2.237 12.755 1.00 0.00 C ATOM 966 CG GLN A 122 10.197 2.536 13.732 1.00 0.00 C ATOM 967 CD GLN A 122 11.286 1.478 13.668 1.00 0.00 C ATOM 968 OE1 GLN A 122 11.092 0.353 14.116 1.00 0.00 O ATOM 969 NE2 GLN A 122 12.433 1.782 13.093 1.00 0.00 N ATOM 0 H GLN A 122 7.292 2.883 11.350 1.00 0.00 H new ATOM 0 HA GLN A 122 10.026 3.631 11.481 1.00 0.00 H new ATOM 0 HB2 GLN A 122 8.142 2.675 13.128 1.00 0.00 H new ATOM 0 HB3 GLN A 122 8.912 1.159 12.701 1.00 0.00 H new ATOM 0 HG2 GLN A 122 10.624 3.513 13.507 1.00 0.00 H new ATOM 0 HG3 GLN A 122 9.798 2.588 14.745 1.00 0.00 H new ATOM 0 HE21 GLN A 122 12.585 2.720 12.723 1.00 0.00 H new ATOM 0 HE22 GLN A 122 13.168 1.079 13.018 1.00 0.00 H new ATOM 978 N ARG A 123 9.872 0.560 10.389 1.00 0.00 N ATOM 979 CA ARG A 123 10.683 -0.328 9.560 1.00 0.00 C ATOM 980 C ARG A 123 10.398 -0.173 8.078 1.00 0.00 C ATOM 981 O ARG A 123 11.294 -0.416 7.271 1.00 0.00 O ATOM 982 CB ARG A 123 10.533 -1.784 9.994 1.00 0.00 C ATOM 983 CG ARG A 123 11.814 -2.314 10.608 1.00 0.00 C ATOM 984 CD ARG A 123 12.144 -1.582 11.907 1.00 0.00 C ATOM 985 NE ARG A 123 13.065 -2.396 12.728 1.00 0.00 N ATOM 986 CZ ARG A 123 14.331 -2.135 13.079 1.00 0.00 C ATOM 987 NH1 ARG A 123 15.008 -1.103 12.613 1.00 0.00 N ATOM 988 NH2 ARG A 123 14.916 -2.880 13.997 1.00 0.00 N ATOM 0 H ARG A 123 9.129 0.105 10.920 1.00 0.00 H new ATOM 0 HA ARG A 123 11.719 -0.028 9.714 1.00 0.00 H new ATOM 0 HB2 ARG A 123 9.720 -1.868 10.715 1.00 0.00 H new ATOM 0 HB3 ARG A 123 10.260 -2.395 9.134 1.00 0.00 H new ATOM 0 HG2 ARG A 123 11.713 -3.381 10.804 1.00 0.00 H new ATOM 0 HG3 ARG A 123 12.636 -2.196 9.902 1.00 0.00 H new ATOM 0 HD2 ARG A 123 12.599 -0.617 11.684 1.00 0.00 H new ATOM 0 HD3 ARG A 123 11.228 -1.382 12.464 1.00 0.00 H new ATOM 0 HE ARG A 123 12.685 -3.277 13.075 1.00 0.00 H new ATOM 0 HH11 ARG A 123 14.569 -0.460 11.954 1.00 0.00 H new ATOM 0 HH12 ARG A 123 15.971 -0.948 12.912 1.00 0.00 H new ATOM 0 HH21 ARG A 123 14.405 -3.647 14.433 1.00 0.00 H new ATOM 0 HH22 ARG A 123 15.880 -2.689 14.271 1.00 0.00 H new ATOM 1002 N ALA A 124 9.193 0.239 7.698 1.00 0.00 N ATOM 1003 CA ALA A 124 8.865 0.500 6.304 1.00 0.00 C ATOM 1004 C ALA A 124 9.687 1.662 5.734 1.00 0.00 C ATOM 1005 O ALA A 124 9.680 1.848 4.517 1.00 0.00 O ATOM 1006 CB ALA A 124 7.356 0.708 6.131 1.00 0.00 C ATOM 0 H ALA A 124 8.421 0.400 8.345 1.00 0.00 H new ATOM 0 HA ALA A 124 9.139 -0.379 5.722 1.00 0.00 H new ATOM 0 HB1 ALA A 124 7.133 0.902 5.082 1.00 0.00 H new ATOM 0 HB2 ALA A 124 6.826 -0.187 6.455 1.00 0.00 H new ATOM 0 HB3 ALA A 124 7.035 1.558 6.733 1.00 0.00 H new ATOM 1012 N TRP A 125 10.440 2.403 6.560 1.00 0.00 N ATOM 1013 CA TRP A 125 11.408 3.380 6.094 1.00 0.00 C ATOM 1014 C TRP A 125 12.817 3.019 6.535 1.00 0.00 C ATOM 1015 O TRP A 125 13.679 2.906 5.681 1.00 0.00 O ATOM 1016 CB TRP A 125 10.949 4.788 6.486 1.00 0.00 C ATOM 1017 CG TRP A 125 11.338 5.904 5.570 1.00 0.00 C ATOM 1018 CD1 TRP A 125 11.874 7.086 5.942 1.00 0.00 C ATOM 1019 CD2 TRP A 125 11.138 5.997 4.131 1.00 0.00 C ATOM 1020 NE1 TRP A 125 12.015 7.905 4.839 1.00 0.00 N ATOM 1021 CE2 TRP A 125 11.553 7.291 3.692 1.00 0.00 C ATOM 1022 CE3 TRP A 125 10.641 5.112 3.152 1.00 0.00 C ATOM 1023 CZ2 TRP A 125 11.440 7.692 2.348 1.00 0.00 C ATOM 1024 CZ3 TRP A 125 10.547 5.495 1.809 1.00 0.00 C ATOM 1025 CH2 TRP A 125 10.898 6.790 1.414 1.00 0.00 C ATOM 0 H TRP A 125 10.386 2.333 7.576 1.00 0.00 H new ATOM 0 HA TRP A 125 11.457 3.369 5.005 1.00 0.00 H new ATOM 0 HB2 TRP A 125 9.862 4.780 6.569 1.00 0.00 H new ATOM 0 HB3 TRP A 125 11.343 5.010 7.478 1.00 0.00 H new ATOM 0 HD1 TRP A 125 12.151 7.351 6.952 1.00 0.00 H new ATOM 0 HE1 TRP A 125 12.410 8.845 4.868 1.00 0.00 H new ATOM 0 HE3 TRP A 125 10.327 4.121 3.444 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 11.764 8.675 2.039 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 10.201 4.785 1.072 1.00 0.00 H new ATOM 0 HH2 TRP A 125 10.753 7.098 0.389 1.00 0.00 H new ATOM 1036 N ASP A 126 13.064 2.748 7.813 1.00 0.00 N ATOM 1037 CA ASP A 126 14.373 2.384 8.373 1.00 0.00 C ATOM 1038 C ASP A 126 15.131 1.330 7.557 1.00 0.00 C ATOM 1039 O ASP A 126 16.335 1.468 7.320 1.00 0.00 O ATOM 1040 CB ASP A 126 14.128 1.839 9.781 1.00 0.00 C ATOM 1041 CG ASP A 126 15.301 1.051 10.349 1.00 0.00 C ATOM 1042 OD1 ASP A 126 15.355 -0.173 10.091 1.00 0.00 O ATOM 1043 OD2 ASP A 126 16.039 1.588 11.197 1.00 0.00 O ATOM 0 H ASP A 126 12.330 2.776 8.521 1.00 0.00 H new ATOM 0 HA ASP A 126 14.998 3.277 8.365 1.00 0.00 H new ATOM 0 HB2 ASP A 126 13.904 2.671 10.449 1.00 0.00 H new ATOM 0 HB3 ASP A 126 13.246 1.198 9.764 1.00 0.00 H new ATOM 1048 N LEU A 127 14.442 0.269 7.130 1.00 0.00 N ATOM 1049 CA LEU A 127 15.064 -0.879 6.478 1.00 0.00 C ATOM 1050 C LEU A 127 15.214 -0.565 4.989 1.00 0.00 C ATOM 1051 O LEU A 127 16.246 -0.810 4.362 1.00 0.00 O ATOM 1052 CB LEU A 127 14.210 -2.115 6.843 1.00 0.00 C ATOM 1053 CG LEU A 127 13.871 -3.175 5.788 1.00 0.00 C ATOM 1054 CD1 LEU A 127 15.115 -3.775 5.162 1.00 0.00 C ATOM 1055 CD2 LEU A 127 13.073 -4.293 6.472 1.00 0.00 C ATOM 0 H LEU A 127 13.430 0.185 7.229 1.00 0.00 H new ATOM 0 HA LEU A 127 16.077 -1.101 6.813 1.00 0.00 H new ATOM 0 HB2 LEU A 127 14.720 -2.627 7.659 1.00 0.00 H new ATOM 0 HB3 LEU A 127 13.265 -1.745 7.240 1.00 0.00 H new ATOM 0 HG LEU A 127 13.297 -2.698 4.994 1.00 0.00 H new ATOM 0 HD11 LEU A 127 14.826 -4.520 4.421 1.00 0.00 H new ATOM 0 HD12 LEU A 127 15.695 -2.989 4.679 1.00 0.00 H new ATOM 0 HD13 LEU A 127 15.720 -4.248 5.936 1.00 0.00 H new ATOM 0 HD21 LEU A 127 12.820 -5.060 5.740 1.00 0.00 H new ATOM 0 HD22 LEU A 127 13.674 -4.735 7.267 1.00 0.00 H new ATOM 0 HD23 LEU A 127 12.158 -3.880 6.896 1.00 0.00 H new ATOM 1067 N ALA A 128 14.188 0.054 4.425 1.00 0.00 N ATOM 1068 CA ALA A 128 14.199 0.655 3.104 1.00 0.00 C ATOM 1069 C ALA A 128 15.368 1.641 2.913 1.00 0.00 C ATOM 1070 O ALA A 128 16.017 1.591 1.874 1.00 0.00 O ATOM 1071 CB ALA A 128 12.819 1.281 2.896 1.00 0.00 C ATOM 0 H ALA A 128 13.289 0.154 4.896 1.00 0.00 H new ATOM 0 HA ALA A 128 14.378 -0.096 2.335 1.00 0.00 H new ATOM 0 HB1 ALA A 128 12.776 1.748 1.912 1.00 0.00 H new ATOM 0 HB2 ALA A 128 12.054 0.507 2.964 1.00 0.00 H new ATOM 0 HB3 ALA A 128 12.642 2.034 3.664 1.00 0.00 H new ATOM 1077 N LEU A 129 15.693 2.479 3.906 1.00 0.00 N ATOM 1078 CA LEU A 129 16.837 3.386 3.915 1.00 0.00 C ATOM 1079 C LEU A 129 18.126 2.600 3.714 1.00 0.00 C ATOM 1080 O LEU A 129 18.912 2.924 2.824 1.00 0.00 O ATOM 1081 CB LEU A 129 16.912 4.153 5.254 1.00 0.00 C ATOM 1082 CG LEU A 129 16.373 5.587 5.277 1.00 0.00 C ATOM 1083 CD1 LEU A 129 17.072 6.481 4.255 1.00 0.00 C ATOM 1084 CD2 LEU A 129 14.862 5.693 5.096 1.00 0.00 C ATOM 0 H LEU A 129 15.139 2.542 4.760 1.00 0.00 H new ATOM 0 HA LEU A 129 16.713 4.101 3.102 1.00 0.00 H new ATOM 0 HB2 LEU A 129 16.368 3.577 6.003 1.00 0.00 H new ATOM 0 HB3 LEU A 129 17.955 4.180 5.568 1.00 0.00 H new ATOM 0 HG LEU A 129 16.600 5.939 6.283 1.00 0.00 H new ATOM 0 HD11 LEU A 129 16.657 7.488 4.308 1.00 0.00 H new ATOM 0 HD12 LEU A 129 18.139 6.517 4.473 1.00 0.00 H new ATOM 0 HD13 LEU A 129 16.919 6.078 3.254 1.00 0.00 H new ATOM 0 HD21 LEU A 129 14.565 6.741 5.125 1.00 0.00 H new ATOM 0 HD22 LEU A 129 14.579 5.262 4.136 1.00 0.00 H new ATOM 0 HD23 LEU A 129 14.361 5.152 5.898 1.00 0.00 H new ATOM 1096 N HIS A 130 18.338 1.568 4.537 1.00 0.00 N ATOM 1097 CA HIS A 130 19.499 0.694 4.441 1.00 0.00 C ATOM 1098 C HIS A 130 19.577 0.058 3.050 1.00 0.00 C ATOM 1099 O HIS A 130 20.663 -0.068 2.491 1.00 0.00 O ATOM 1100 CB HIS A 130 19.461 -0.354 5.574 1.00 0.00 C ATOM 1101 CG HIS A 130 20.326 -1.576 5.362 1.00 0.00 C ATOM 1102 ND1 HIS A 130 21.443 -1.948 6.080 1.00 0.00 N ATOM 1103 CD2 HIS A 130 20.100 -2.547 4.427 1.00 0.00 C ATOM 1104 CE1 HIS A 130 21.870 -3.125 5.599 1.00 0.00 C ATOM 1105 NE2 HIS A 130 21.084 -3.530 4.582 1.00 0.00 N ATOM 0 H HIS A 130 17.700 1.318 5.293 1.00 0.00 H new ATOM 0 HA HIS A 130 20.410 1.278 4.569 1.00 0.00 H new ATOM 0 HB2 HIS A 130 19.767 0.129 6.502 1.00 0.00 H new ATOM 0 HB3 HIS A 130 18.430 -0.680 5.709 1.00 0.00 H new ATOM 0 HD1 HIS A 130 21.869 -1.421 6.842 1.00 0.00 H new ATOM 0 HD2 HIS A 130 19.303 -2.554 3.698 1.00 0.00 H new ATOM 0 HE1 HIS A 130 22.723 -3.671 5.974 1.00 0.00 H new ATOM 1113 N THR A 131 18.449 -0.334 2.458 1.00 0.00 N ATOM 1114 CA THR A 131 18.420 -1.033 1.174 1.00 0.00 C ATOM 1115 C THR A 131 18.937 -0.140 0.024 1.00 0.00 C ATOM 1116 O THR A 131 19.291 -0.641 -1.047 1.00 0.00 O ATOM 1117 CB THR A 131 16.989 -1.573 0.959 1.00 0.00 C ATOM 1118 OG1 THR A 131 16.583 -2.386 2.051 1.00 0.00 O ATOM 1119 CG2 THR A 131 16.845 -2.432 -0.295 1.00 0.00 C ATOM 0 H THR A 131 17.525 -0.174 2.858 1.00 0.00 H new ATOM 0 HA THR A 131 19.106 -1.880 1.180 1.00 0.00 H new ATOM 0 HB THR A 131 16.369 -0.682 0.861 1.00 0.00 H new ATOM 0 HG1 THR A 131 16.439 -1.824 2.841 1.00 0.00 H new ATOM 0 HG21 THR A 131 15.815 -2.777 -0.383 1.00 0.00 H new ATOM 0 HG22 THR A 131 17.106 -1.841 -1.173 1.00 0.00 H new ATOM 0 HG23 THR A 131 17.511 -3.292 -0.225 1.00 0.00 H new ATOM 1127 N TRP A 132 19.072 1.169 0.241 1.00 0.00 N ATOM 1128 CA TRP A 132 19.706 2.049 -0.736 1.00 0.00 C ATOM 1129 C TRP A 132 21.216 1.830 -0.799 1.00 0.00 C ATOM 1130 O TRP A 132 21.775 2.012 -1.874 1.00 0.00 O ATOM 1131 CB TRP A 132 19.394 3.523 -0.458 1.00 0.00 C ATOM 1132 CG TRP A 132 17.944 3.903 -0.481 1.00 0.00 C ATOM 1133 CD1 TRP A 132 17.321 4.632 0.469 1.00 0.00 C ATOM 1134 CD2 TRP A 132 16.919 3.589 -1.475 1.00 0.00 C ATOM 1135 NE1 TRP A 132 15.988 4.776 0.150 1.00 0.00 N ATOM 1136 CE2 TRP A 132 15.680 4.136 -1.028 1.00 0.00 C ATOM 1137 CE3 TRP A 132 16.899 2.888 -2.701 1.00 0.00 C ATOM 1138 CZ2 TRP A 132 14.483 3.980 -1.742 1.00 0.00 C ATOM 1139 CZ3 TRP A 132 15.706 2.732 -3.432 1.00 0.00 C ATOM 1140 CH2 TRP A 132 14.498 3.273 -2.955 1.00 0.00 C ATOM 0 H TRP A 132 18.750 1.641 1.086 1.00 0.00 H new ATOM 0 HA TRP A 132 19.285 1.790 -1.707 1.00 0.00 H new ATOM 0 HB2 TRP A 132 19.802 3.782 0.519 1.00 0.00 H new ATOM 0 HB3 TRP A 132 19.920 4.130 -1.194 1.00 0.00 H new ATOM 0 HD1 TRP A 132 17.796 5.041 1.348 1.00 0.00 H new ATOM 0 HE1 TRP A 132 15.315 5.292 0.716 1.00 0.00 H new ATOM 0 HE3 TRP A 132 17.815 2.464 -3.085 1.00 0.00 H new ATOM 0 HZ2 TRP A 132 13.562 4.398 -1.364 1.00 0.00 H new ATOM 0 HZ3 TRP A 132 15.718 2.192 -4.367 1.00 0.00 H new ATOM 0 HH2 TRP A 132 13.586 3.145 -3.519 1.00 0.00 H new ATOM 1151 N GLU A 133 21.862 1.404 0.293 1.00 0.00 N ATOM 1152 CA GLU A 133 23.304 1.159 0.382 1.00 0.00 C ATOM 1153 C GLU A 133 23.722 0.104 -0.649 1.00 0.00 C ATOM 1154 O GLU A 133 24.684 0.292 -1.400 1.00 0.00 O ATOM 1155 CB GLU A 133 23.629 0.707 1.819 1.00 0.00 C ATOM 1156 CG GLU A 133 25.127 0.516 2.092 1.00 0.00 C ATOM 1157 CD GLU A 133 25.445 0.048 3.520 1.00 0.00 C ATOM 1158 OE1 GLU A 133 24.534 -0.064 4.369 1.00 0.00 O ATOM 1159 OE2 GLU A 133 26.645 -0.131 3.845 1.00 0.00 O ATOM 0 H GLU A 133 21.376 1.214 1.170 1.00 0.00 H new ATOM 0 HA GLU A 133 23.863 2.068 0.160 1.00 0.00 H new ATOM 0 HB2 GLU A 133 23.234 1.444 2.518 1.00 0.00 H new ATOM 0 HB3 GLU A 133 23.112 -0.231 2.019 1.00 0.00 H new ATOM 0 HG2 GLU A 133 25.525 -0.211 1.385 1.00 0.00 H new ATOM 0 HG3 GLU A 133 25.643 1.458 1.905 1.00 0.00 H new ATOM 1166 N GLN A 134 22.935 -0.974 -0.728 1.00 0.00 N ATOM 1167 CA GLN A 134 23.072 -2.058 -1.691 1.00 0.00 C ATOM 1168 C GLN A 134 23.204 -1.502 -3.109 1.00 0.00 C ATOM 1169 O GLN A 134 24.202 -1.776 -3.777 1.00 0.00 O ATOM 1170 CB GLN A 134 21.863 -3.004 -1.574 1.00 0.00 C ATOM 1171 CG GLN A 134 22.102 -4.223 -0.677 1.00 0.00 C ATOM 1172 CD GLN A 134 22.841 -5.318 -1.441 1.00 0.00 C ATOM 1173 OE1 GLN A 134 23.914 -5.095 -1.992 1.00 0.00 O ATOM 1174 NE2 GLN A 134 22.308 -6.524 -1.485 1.00 0.00 N ATOM 0 H GLN A 134 22.151 -1.116 -0.091 1.00 0.00 H new ATOM 0 HA GLN A 134 23.979 -2.622 -1.473 1.00 0.00 H new ATOM 0 HB2 GLN A 134 21.013 -2.443 -1.186 1.00 0.00 H new ATOM 0 HB3 GLN A 134 21.588 -3.349 -2.571 1.00 0.00 H new ATOM 0 HG2 GLN A 134 22.681 -3.929 0.198 1.00 0.00 H new ATOM 0 HG3 GLN A 134 21.148 -4.606 -0.314 1.00 0.00 H new ATOM 0 HE21 GLN A 134 21.416 -6.704 -1.025 1.00 0.00 H new ATOM 0 HE22 GLN A 134 22.788 -7.276 -1.979 1.00 0.00 H new ATOM 1183 N MET A 135 22.229 -0.708 -3.558 1.00 0.00 N ATOM 1184 CA MET A 135 22.207 -0.161 -4.912 1.00 0.00 C ATOM 1185 C MET A 135 23.103 1.081 -5.055 1.00 0.00 C ATOM 1186 O MET A 135 23.419 1.507 -6.169 1.00 0.00 O ATOM 1187 CB MET A 135 20.756 0.186 -5.242 1.00 0.00 C ATOM 1188 CG MET A 135 19.844 -1.042 -5.341 1.00 0.00 C ATOM 1189 SD MET A 135 18.098 -0.733 -4.945 1.00 0.00 S ATOM 1190 CE MET A 135 17.712 0.653 -6.048 1.00 0.00 C ATOM 0 H MET A 135 21.431 -0.427 -2.989 1.00 0.00 H new ATOM 0 HA MET A 135 22.602 -0.902 -5.606 1.00 0.00 H new ATOM 0 HB2 MET A 135 20.367 0.857 -4.476 1.00 0.00 H new ATOM 0 HB3 MET A 135 20.726 0.729 -6.187 1.00 0.00 H new ATOM 0 HG2 MET A 135 19.906 -1.442 -6.353 1.00 0.00 H new ATOM 0 HG3 MET A 135 20.223 -1.813 -4.670 1.00 0.00 H new ATOM 0 HE1 MET A 135 17.624 1.569 -5.464 1.00 0.00 H new ATOM 0 HE2 MET A 135 18.509 0.766 -6.783 1.00 0.00 H new ATOM 0 HE3 MET A 135 16.770 0.458 -6.561 1.00 0.00 H new ATOM 1200 N GLY A 136 23.546 1.671 -3.947 1.00 0.00 N ATOM 1201 CA GLY A 136 24.355 2.875 -3.911 1.00 0.00 C ATOM 1202 C GLY A 136 23.560 4.141 -4.226 1.00 0.00 C ATOM 1203 O GLY A 136 24.159 5.094 -4.722 1.00 0.00 O ATOM 0 H GLY A 136 23.340 1.305 -3.017 1.00 0.00 H new ATOM 0 HA2 GLY A 136 24.806 2.973 -2.924 1.00 0.00 H new ATOM 0 HA3 GLY A 136 25.172 2.778 -4.627 1.00 0.00 H new ATOM 1207 N LEU A 137 22.237 4.184 -3.990 1.00 0.00 N ATOM 1208 CA LEU A 137 21.420 5.379 -4.235 1.00 0.00 C ATOM 1209 C LEU A 137 21.601 6.364 -3.083 1.00 0.00 C ATOM 1210 O LEU A 137 20.721 6.543 -2.233 1.00 0.00 O ATOM 1211 CB LEU A 137 19.922 5.069 -4.460 1.00 0.00 C ATOM 1212 CG LEU A 137 19.493 4.715 -5.895 1.00 0.00 C ATOM 1213 CD1 LEU A 137 19.941 5.745 -6.932 1.00 0.00 C ATOM 1214 CD2 LEU A 137 19.984 3.331 -6.281 1.00 0.00 C ATOM 0 H LEU A 137 21.708 3.392 -3.625 1.00 0.00 H new ATOM 0 HA LEU A 137 21.773 5.822 -5.166 1.00 0.00 H new ATOM 0 HB2 LEU A 137 19.645 4.240 -3.809 1.00 0.00 H new ATOM 0 HB3 LEU A 137 19.344 5.935 -4.137 1.00 0.00 H new ATOM 0 HG LEU A 137 18.403 4.724 -5.895 1.00 0.00 H new ATOM 0 HD11 LEU A 137 19.606 5.434 -7.922 1.00 0.00 H new ATOM 0 HD12 LEU A 137 19.509 6.716 -6.691 1.00 0.00 H new ATOM 0 HD13 LEU A 137 21.028 5.820 -6.924 1.00 0.00 H new ATOM 0 HD21 LEU A 137 19.668 3.104 -7.299 1.00 0.00 H new ATOM 0 HD22 LEU A 137 21.072 3.302 -6.223 1.00 0.00 H new ATOM 0 HD23 LEU A 137 19.565 2.592 -5.598 1.00 0.00 H new ATOM 1226 N ARG A 138 22.737 7.058 -3.111 1.00 0.00 N ATOM 1227 CA ARG A 138 23.113 8.064 -2.133 1.00 0.00 C ATOM 1228 C ARG A 138 22.025 9.124 -2.046 1.00 0.00 C ATOM 1229 O ARG A 138 21.570 9.402 -0.943 1.00 0.00 O ATOM 1230 CB ARG A 138 24.517 8.619 -2.457 1.00 0.00 C ATOM 1231 CG ARG A 138 25.457 8.541 -1.243 1.00 0.00 C ATOM 1232 CD ARG A 138 26.937 8.762 -1.592 1.00 0.00 C ATOM 1233 NE ARG A 138 27.274 10.186 -1.757 1.00 0.00 N ATOM 1234 CZ ARG A 138 28.503 10.716 -1.695 1.00 0.00 C ATOM 1235 NH1 ARG A 138 29.583 9.950 -1.528 1.00 0.00 N ATOM 1236 NH2 ARG A 138 28.637 12.033 -1.793 1.00 0.00 N ATOM 0 H ARG A 138 23.439 6.928 -3.839 1.00 0.00 H new ATOM 0 HA ARG A 138 23.191 7.626 -1.138 1.00 0.00 H new ATOM 0 HB2 ARG A 138 24.947 8.057 -3.286 1.00 0.00 H new ATOM 0 HB3 ARG A 138 24.431 9.655 -2.784 1.00 0.00 H new ATOM 0 HG2 ARG A 138 25.151 9.287 -0.509 1.00 0.00 H new ATOM 0 HG3 ARG A 138 25.346 7.565 -0.771 1.00 0.00 H new ATOM 0 HD2 ARG A 138 27.559 8.334 -0.806 1.00 0.00 H new ATOM 0 HD3 ARG A 138 27.173 8.228 -2.512 1.00 0.00 H new ATOM 0 HE ARG A 138 26.501 10.827 -1.935 1.00 0.00 H new ATOM 0 HH11 ARG A 138 29.483 8.938 -1.445 1.00 0.00 H new ATOM 0 HH12 ARG A 138 30.509 10.376 -1.484 1.00 0.00 H new ATOM 0 HH21 ARG A 138 27.813 12.622 -1.913 1.00 0.00 H new ATOM 0 HH22 ARG A 138 29.564 12.456 -1.748 1.00 0.00 H new ATOM 1250 N SER A 139 21.525 9.637 -3.179 1.00 0.00 N ATOM 1251 CA SER A 139 20.452 10.627 -3.170 1.00 0.00 C ATOM 1252 C SER A 139 19.193 10.141 -2.461 1.00 0.00 C ATOM 1253 O SER A 139 18.568 10.941 -1.782 1.00 0.00 O ATOM 1254 CB SER A 139 20.035 11.024 -4.582 1.00 0.00 C ATOM 1255 OG SER A 139 21.084 11.625 -5.304 1.00 0.00 O ATOM 0 H SER A 139 21.850 9.379 -4.111 1.00 0.00 H new ATOM 0 HA SER A 139 20.872 11.476 -2.631 1.00 0.00 H new ATOM 0 HB2 SER A 139 19.689 10.140 -5.118 1.00 0.00 H new ATOM 0 HB3 SER A 139 19.193 11.714 -4.528 1.00 0.00 H new ATOM 0 HG SER A 139 20.770 11.860 -6.202 1.00 0.00 H new ATOM 1261 N LEU A 140 18.765 8.883 -2.627 1.00 0.00 N ATOM 1262 CA LEU A 140 17.513 8.449 -2.016 1.00 0.00 C ATOM 1263 C LEU A 140 17.700 8.332 -0.503 1.00 0.00 C ATOM 1264 O LEU A 140 16.832 8.770 0.253 1.00 0.00 O ATOM 1265 CB LEU A 140 17.008 7.129 -2.620 1.00 0.00 C ATOM 1266 CG LEU A 140 16.614 7.165 -4.115 1.00 0.00 C ATOM 1267 CD1 LEU A 140 15.935 5.849 -4.476 1.00 0.00 C ATOM 1268 CD2 LEU A 140 15.636 8.281 -4.500 1.00 0.00 C ATOM 0 H LEU A 140 19.255 8.168 -3.165 1.00 0.00 H new ATOM 0 HA LEU A 140 16.748 9.197 -2.225 1.00 0.00 H new ATOM 0 HB2 LEU A 140 17.783 6.374 -2.489 1.00 0.00 H new ATOM 0 HB3 LEU A 140 16.142 6.799 -2.046 1.00 0.00 H new ATOM 0 HG LEU A 140 17.545 7.343 -4.653 1.00 0.00 H new ATOM 0 HD11 LEU A 140 15.652 5.862 -5.529 1.00 0.00 H new ATOM 0 HD12 LEU A 140 16.623 5.023 -4.295 1.00 0.00 H new ATOM 0 HD13 LEU A 140 15.043 5.719 -3.862 1.00 0.00 H new ATOM 0 HD21 LEU A 140 15.420 8.224 -5.567 1.00 0.00 H new ATOM 0 HD22 LEU A 140 14.711 8.164 -3.936 1.00 0.00 H new ATOM 0 HD23 LEU A 140 16.081 9.249 -4.271 1.00 0.00 H new ATOM 1280 N CYS A 141 18.839 7.787 -0.060 1.00 0.00 N ATOM 1281 CA CYS A 141 19.199 7.694 1.352 1.00 0.00 C ATOM 1282 C CYS A 141 19.293 9.096 1.977 1.00 0.00 C ATOM 1283 O CYS A 141 18.765 9.321 3.071 1.00 0.00 O ATOM 1284 CB CYS A 141 20.522 6.915 1.485 1.00 0.00 C ATOM 1285 SG CYS A 141 20.491 5.756 2.886 1.00 0.00 S ATOM 0 H CYS A 141 19.544 7.394 -0.684 1.00 0.00 H new ATOM 0 HA CYS A 141 18.425 7.154 1.897 1.00 0.00 H new ATOM 0 HB2 CYS A 141 20.713 6.365 0.564 1.00 0.00 H new ATOM 0 HB3 CYS A 141 21.345 7.618 1.614 1.00 0.00 H new ATOM 0 HG CYS A 141 19.764 4.723 2.579 1.00 0.00 H new ATOM 1291 N ALA A 142 19.932 10.025 1.259 1.00 0.00 N ATOM 1292 CA ALA A 142 20.118 11.418 1.623 1.00 0.00 C ATOM 1293 C ALA A 142 18.774 12.134 1.695 1.00 0.00 C ATOM 1294 O ALA A 142 18.359 12.512 2.782 1.00 0.00 O ATOM 1295 CB ALA A 142 21.070 12.096 0.632 1.00 0.00 C ATOM 0 H ALA A 142 20.355 9.804 0.357 1.00 0.00 H new ATOM 0 HA ALA A 142 20.570 11.473 2.613 1.00 0.00 H new ATOM 0 HB1 ALA A 142 21.204 13.141 0.913 1.00 0.00 H new ATOM 0 HB2 ALA A 142 22.035 11.589 0.649 1.00 0.00 H new ATOM 0 HB3 ALA A 142 20.649 12.041 -0.372 1.00 0.00 H new ATOM 1301 N GLN A 143 18.064 12.301 0.576 1.00 0.00 N ATOM 1302 CA GLN A 143 16.798 13.015 0.444 1.00 0.00 C ATOM 1303 C GLN A 143 15.789 12.562 1.500 1.00 0.00 C ATOM 1304 O GLN A 143 15.093 13.392 2.090 1.00 0.00 O ATOM 1305 CB GLN A 143 16.269 12.771 -0.980 1.00 0.00 C ATOM 1306 CG GLN A 143 14.960 13.509 -1.272 1.00 0.00 C ATOM 1307 CD GLN A 143 14.337 13.147 -2.622 1.00 0.00 C ATOM 1308 OE1 GLN A 143 14.806 12.260 -3.335 1.00 0.00 O ATOM 1309 NE2 GLN A 143 13.268 13.819 -3.017 1.00 0.00 N ATOM 0 H GLN A 143 18.380 11.917 -0.314 1.00 0.00 H new ATOM 0 HA GLN A 143 16.952 14.082 0.607 1.00 0.00 H new ATOM 0 HB2 GLN A 143 17.024 13.086 -1.700 1.00 0.00 H new ATOM 0 HB3 GLN A 143 16.116 11.702 -1.125 1.00 0.00 H new ATOM 0 HG2 GLN A 143 14.244 13.287 -0.480 1.00 0.00 H new ATOM 0 HG3 GLN A 143 15.145 14.583 -1.243 1.00 0.00 H new ATOM 0 HE21 GLN A 143 12.880 14.554 -2.425 1.00 0.00 H new ATOM 0 HE22 GLN A 143 12.832 13.602 -3.913 1.00 0.00 H new ATOM 1318 N ALA A 144 15.742 11.256 1.792 1.00 0.00 N ATOM 1319 CA ALA A 144 14.872 10.698 2.815 1.00 0.00 C ATOM 1320 C ALA A 144 15.092 11.354 4.185 1.00 0.00 C ATOM 1321 O ALA A 144 14.144 11.408 4.967 1.00 0.00 O ATOM 1322 CB ALA A 144 15.069 9.184 2.881 1.00 0.00 C ATOM 0 H ALA A 144 16.314 10.558 1.317 1.00 0.00 H new ATOM 0 HA ALA A 144 13.839 10.911 2.539 1.00 0.00 H new ATOM 0 HB1 ALA A 144 14.417 8.765 3.648 1.00 0.00 H new ATOM 0 HB2 ALA A 144 14.823 8.743 1.915 1.00 0.00 H new ATOM 0 HB3 ALA A 144 16.107 8.963 3.127 1.00 0.00 H new ATOM 1328 N GLN A 145 16.280 11.902 4.449 1.00 0.00 N ATOM 1329 CA GLN A 145 16.785 12.334 5.742 1.00 0.00 C ATOM 1330 C GLN A 145 17.312 13.783 5.703 1.00 0.00 C ATOM 1331 O GLN A 145 17.871 14.253 6.691 1.00 0.00 O ATOM 1332 CB GLN A 145 17.876 11.345 6.200 1.00 0.00 C ATOM 1333 CG GLN A 145 17.320 9.940 6.484 1.00 0.00 C ATOM 1334 CD GLN A 145 18.422 8.956 6.865 1.00 0.00 C ATOM 1335 OE1 GLN A 145 18.553 8.571 8.027 1.00 0.00 O ATOM 1336 NE2 GLN A 145 19.226 8.531 5.899 1.00 0.00 N ATOM 0 H GLN A 145 16.960 12.065 3.706 1.00 0.00 H new ATOM 0 HA GLN A 145 15.967 12.333 6.462 1.00 0.00 H new ATOM 0 HB2 GLN A 145 18.646 11.278 5.432 1.00 0.00 H new ATOM 0 HB3 GLN A 145 18.356 11.730 7.100 1.00 0.00 H new ATOM 0 HG2 GLN A 145 16.589 9.996 7.290 1.00 0.00 H new ATOM 0 HG3 GLN A 145 16.795 9.573 5.602 1.00 0.00 H new ATOM 0 HE21 GLN A 145 19.097 8.865 4.944 1.00 0.00 H new ATOM 0 HE22 GLN A 145 19.973 7.870 6.111 1.00 0.00 H new ATOM 1345 N GLU A 146 17.173 14.510 4.588 1.00 0.00 N ATOM 1346 CA GLU A 146 17.858 15.787 4.344 1.00 0.00 C ATOM 1347 C GLU A 146 16.899 16.977 4.197 1.00 0.00 C ATOM 1348 O GLU A 146 17.317 18.052 3.766 1.00 0.00 O ATOM 1349 CB GLU A 146 18.788 15.642 3.121 1.00 0.00 C ATOM 1350 CG GLU A 146 20.172 15.104 3.517 1.00 0.00 C ATOM 1351 CD GLU A 146 21.269 15.436 2.498 1.00 0.00 C ATOM 1352 OE1 GLU A 146 20.968 15.669 1.305 1.00 0.00 O ATOM 1353 OE2 GLU A 146 22.448 15.514 2.930 1.00 0.00 O ATOM 0 H GLU A 146 16.571 14.223 3.816 1.00 0.00 H new ATOM 0 HA GLU A 146 18.455 16.017 5.227 1.00 0.00 H new ATOM 0 HB2 GLU A 146 18.331 14.970 2.395 1.00 0.00 H new ATOM 0 HB3 GLU A 146 18.900 16.610 2.633 1.00 0.00 H new ATOM 0 HG2 GLU A 146 20.450 15.517 4.487 1.00 0.00 H new ATOM 0 HG3 GLU A 146 20.113 14.022 3.636 1.00 0.00 H new ATOM 1360 N GLY A 147 15.621 16.838 4.557 1.00 0.00 N ATOM 1361 CA GLY A 147 14.685 17.959 4.476 1.00 0.00 C ATOM 1362 C GLY A 147 14.477 18.369 3.017 1.00 0.00 C ATOM 1363 O GLY A 147 14.713 19.521 2.657 1.00 0.00 O ATOM 0 H GLY A 147 15.215 15.969 4.904 1.00 0.00 H new ATOM 0 HA2 GLY A 147 13.731 17.679 4.922 1.00 0.00 H new ATOM 0 HA3 GLY A 147 15.068 18.804 5.048 1.00 0.00 H new ATOM 1367 N ALA A 148 14.083 17.384 2.198 1.00 0.00 N ATOM 1368 CA ALA A 148 13.766 17.470 0.779 1.00 0.00 C ATOM 1369 C ALA A 148 13.086 18.789 0.410 1.00 0.00 C ATOM 1370 O ALA A 148 13.740 19.673 -0.139 1.00 0.00 O ATOM 1371 CB ALA A 148 12.990 16.221 0.331 1.00 0.00 C ATOM 0 H ALA A 148 13.971 16.432 2.546 1.00 0.00 H new ATOM 0 HA ALA A 148 14.699 17.481 0.216 1.00 0.00 H new ATOM 0 HB1 ALA A 148 12.759 16.298 -0.732 1.00 0.00 H new ATOM 0 HB2 ALA A 148 13.597 15.333 0.507 1.00 0.00 H new ATOM 0 HB3 ALA A 148 12.063 16.145 0.899 1.00 0.00 H new ATOM 1377 N GLY A 149 11.766 18.838 0.615 1.00 0.00 N ATOM 1378 CA GLY A 149 10.880 19.986 0.452 1.00 0.00 C ATOM 1379 C GLY A 149 11.300 20.907 -0.684 1.00 0.00 C ATOM 1380 O GLY A 149 11.766 22.014 -0.425 1.00 0.00 O ATOM 0 H GLY A 149 11.254 18.011 0.923 1.00 0.00 H new ATOM 0 HA2 GLY A 149 9.866 19.632 0.268 1.00 0.00 H new ATOM 0 HA3 GLY A 149 10.856 20.554 1.382 1.00 0.00 H new ATOM 1384 N HIS A 150 11.164 20.435 -1.924 1.00 0.00 N ATOM 1385 CA HIS A 150 11.593 21.175 -3.101 1.00 0.00 C ATOM 1386 C HIS A 150 10.794 22.477 -3.223 1.00 0.00 C ATOM 1387 O HIS A 150 9.652 22.544 -2.763 1.00 0.00 O ATOM 1388 CB HIS A 150 11.402 20.288 -4.339 1.00 0.00 C ATOM 1389 CG HIS A 150 12.385 20.553 -5.446 1.00 0.00 C ATOM 1390 ND1 HIS A 150 12.421 21.645 -6.286 1.00 0.00 N ATOM 1391 CD2 HIS A 150 13.381 19.697 -5.829 1.00 0.00 C ATOM 1392 CE1 HIS A 150 13.413 21.444 -7.166 1.00 0.00 C ATOM 1393 NE2 HIS A 150 14.008 20.255 -6.949 1.00 0.00 N ATOM 0 H HIS A 150 10.752 19.526 -2.136 1.00 0.00 H new ATOM 0 HA HIS A 150 12.647 21.440 -3.014 1.00 0.00 H new ATOM 0 HB2 HIS A 150 11.483 19.243 -4.039 1.00 0.00 H new ATOM 0 HB3 HIS A 150 10.392 20.432 -4.723 1.00 0.00 H new ATOM 0 HD2 HIS A 150 13.637 18.761 -5.354 1.00 0.00 H new ATOM 0 HE1 HIS A 150 13.696 22.140 -7.942 1.00 0.00 H new ATOM 0 HE2 HIS A 150 14.766 19.843 -7.493 1.00 0.00 H new ATOM 1401 N SER A 151 11.373 23.466 -3.904 1.00 0.00 N ATOM 1402 CA SER A 151 11.005 24.879 -3.872 1.00 0.00 C ATOM 1403 C SER A 151 11.374 25.503 -2.527 1.00 0.00 C ATOM 1404 O SER A 151 11.400 24.853 -1.485 1.00 0.00 O ATOM 1405 CB SER A 151 9.533 25.148 -4.219 1.00 0.00 C ATOM 1406 OG SER A 151 9.219 24.722 -5.536 1.00 0.00 O ATOM 0 H SER A 151 12.159 23.290 -4.530 1.00 0.00 H new ATOM 0 HA SER A 151 11.585 25.358 -4.661 1.00 0.00 H new ATOM 0 HB2 SER A 151 8.891 24.631 -3.506 1.00 0.00 H new ATOM 0 HB3 SER A 151 9.325 26.213 -4.122 1.00 0.00 H new ATOM 0 HG SER A 151 8.275 24.906 -5.723 1.00 0.00 H new TER 1412 SER A 151