USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 582 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 175 CYS SG : rot 150:sc= 0.154 USER MOD Set 1.2: A 178 HIS : no HD1:sc= -2.06 K(o=-0.6,f=0.71) USER MOD Set 1.3: A 195 CYS SG : rot -54:sc= 0.737 USER MOD Set 1.4: A 198 CYS SG : rot 180:sc= 0.575 USER MOD Set 2.1: A 187 CYS SG : rot 40:sc= -0.291 USER MOD Set 2.2: A 204 HIS : no HD1:sc= -2.88 K(o=-2.4,f=-4.1) USER MOD Set 2.3: A 207 HIS : no HE2:sc= 0.749 K(o=-2.4,f=-10!) USER MOD Set 3.1: A 174 MET CE :methyl -154:sc= -0.203 (180deg=-0.862) USER MOD Set 3.2: A 182 LYS NZ :NH3+ -167:sc= 0 (180deg=0) USER MOD Set 4.1: A 134 CYS SG : rot 27:sc= 0.938 USER MOD Set 4.2: A 137 CYS SG : rot 180:sc= 0 USER MOD Set 4.3: A 149 THR OG1 : rot 180:sc= -0.717 USER MOD Set 4.4: A 150 HIS : no HD1:sc= -2.65 K(o=-2.2,f=-4.1) USER MOD Set 4.5: A 159 HIS : no HE2:sc= 0.235 K(o=-2.2,f=-8.9!) USER MOD Set 5.1: A 133 THR OG1 : rot 83:sc= -0.229 USER MOD Set 5.2: A 140 SER OG : rot 63:sc= 0.939 USER MOD Set 6.1: A 119 CYS SG : rot -149:sc= 0.119 USER MOD Set 6.2: A 122 CYS SG : rot 26:sc= 0.169 USER MOD Set 6.3: A 124 GLN : amide:sc= -0.282 X(o=0.98,f=1.2) USER MOD Set 6.4: A 128 GLN : amide:sc=-0.00223 X(o=0.98,f=1.2) USER MOD Set 6.5: A 142 CYS SG : rot -133:sc= 0.206 USER MOD Set 6.6: A 145 CYS SG : rot -143:sc= 0.773 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 THR OG1 : rot -160:sc= 0.09 USER MOD Single : A 141 TYR OH : rot -50:sc= 0.168 USER MOD Single : A 147 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 184 ASN : amide:sc= 0.00798 X(o=0.008,f=0) USER MOD Single : A 185 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 186 TYR OH : rot 180:sc= -0.728 USER MOD Single : A 189 THR OG1 : rot 180:sc= 0 USER MOD Single : A 192 GLN : amide:sc= -1.36 K(o=-1.4,f=-3) USER MOD Single : A 199 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 208 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 26 N LYS A 116 2.951 1.039 -4.897 1.00 13.11 N ATOM 27 CA LYS A 116 3.524 0.970 -6.236 1.00 1.03 C ATOM 28 C LYS A 116 2.784 1.898 -7.193 1.00 53.13 C ATOM 29 O LYS A 116 1.555 1.970 -7.178 1.00 73.35 O ATOM 30 CB LYS A 116 3.475 -0.467 -6.761 1.00 15.34 C ATOM 31 CG LYS A 116 4.610 -1.339 -6.254 1.00 43.23 C ATOM 32 CD LYS A 116 4.194 -2.797 -6.159 1.00 61.04 C ATOM 33 CE LYS A 116 4.224 -3.293 -4.722 1.00 12.33 C ATOM 34 NZ LYS A 116 3.007 -2.882 -3.968 1.00 40.20 N ATOM 0 HA LYS A 116 4.563 1.293 -6.176 1.00 1.03 H new ATOM 0 HB2 LYS A 116 2.525 -0.918 -6.473 1.00 15.34 H new ATOM 0 HB3 LYS A 116 3.502 -0.448 -7.851 1.00 15.34 H new ATOM 0 HG2 LYS A 116 5.467 -1.247 -6.922 1.00 43.23 H new ATOM 0 HG3 LYS A 116 4.931 -0.987 -5.274 1.00 43.23 H new ATOM 0 HD2 LYS A 116 3.190 -2.917 -6.565 1.00 61.04 H new ATOM 0 HD3 LYS A 116 4.860 -3.407 -6.769 1.00 61.04 H new ATOM 0 HE2 LYS A 116 4.306 -4.380 -4.715 1.00 12.33 H new ATOM 0 HE3 LYS A 116 5.110 -2.903 -4.222 1.00 12.33 H new ATOM 0 HZ1 LYS A 116 3.065 -3.239 -2.993 1.00 40.20 H new ATOM 0 HZ2 LYS A 116 2.942 -1.844 -3.953 1.00 40.20 H new ATOM 0 HZ3 LYS A 116 2.163 -3.275 -4.431 1.00 40.20 H new ATOM 48 N VAL A 117 3.539 2.607 -8.026 1.00 62.35 N ATOM 49 CA VAL A 117 2.954 3.528 -8.993 1.00 43.30 C ATOM 50 C VAL A 117 2.311 2.774 -10.151 1.00 52.44 C ATOM 51 O VAL A 117 2.830 1.755 -10.608 1.00 43.34 O ATOM 52 CB VAL A 117 4.010 4.501 -9.551 1.00 61.12 C ATOM 53 CG1 VAL A 117 5.023 3.756 -10.407 1.00 22.11 C ATOM 54 CG2 VAL A 117 3.342 5.612 -10.347 1.00 43.11 C ATOM 0 H VAL A 117 4.558 2.561 -8.051 1.00 62.35 H new ATOM 0 HA VAL A 117 2.189 4.097 -8.465 1.00 43.30 H new ATOM 0 HB VAL A 117 4.541 4.954 -8.713 1.00 61.12 H new ATOM 0 HG11 VAL A 117 5.761 4.459 -10.792 1.00 22.11 H new ATOM 0 HG12 VAL A 117 5.524 3.000 -9.803 1.00 22.11 H new ATOM 0 HG13 VAL A 117 4.511 3.274 -11.240 1.00 22.11 H new ATOM 0 HG21 VAL A 117 4.103 6.290 -10.734 1.00 43.11 H new ATOM 0 HG22 VAL A 117 2.785 5.180 -11.178 1.00 43.11 H new ATOM 0 HG23 VAL A 117 2.659 6.163 -9.700 1.00 43.11 H new ATOM 64 N LEU A 118 1.177 3.282 -10.623 1.00 22.30 N ATOM 65 CA LEU A 118 0.461 2.657 -11.730 1.00 25.31 C ATOM 66 C LEU A 118 0.716 3.405 -13.035 1.00 25.43 C ATOM 67 O LEU A 118 0.868 4.625 -13.009 1.00 63.04 O ATOM 68 CB LEU A 118 -1.039 2.618 -11.436 1.00 12.12 C ATOM 69 CG LEU A 118 -1.576 1.308 -10.858 1.00 55.23 C ATOM 70 CD1 LEU A 118 -2.764 1.574 -9.946 1.00 52.35 C ATOM 71 CD2 LEU A 118 -1.964 0.352 -11.977 1.00 21.45 C ATOM 0 H LEU A 118 0.734 4.125 -10.256 1.00 22.30 H new ATOM 0 HA LEU A 118 0.830 1.637 -11.839 1.00 25.31 H new ATOM 0 HB2 LEU A 118 -1.273 3.422 -10.739 1.00 12.12 H new ATOM 0 HB3 LEU A 118 -1.576 2.831 -12.360 1.00 12.12 H new ATOM 0 HG LEU A 118 -0.787 0.843 -10.266 1.00 55.23 H new ATOM 0 HD11 LEU A 118 -3.133 0.630 -9.544 1.00 52.35 H new ATOM 0 HD12 LEU A 118 -2.455 2.222 -9.126 1.00 52.35 H new ATOM 0 HD13 LEU A 118 -3.557 2.061 -10.514 1.00 52.35 H new ATOM 0 HD21 LEU A 118 -2.344 -0.575 -11.548 1.00 21.45 H new ATOM 0 HD22 LEU A 118 -2.737 0.810 -12.595 1.00 21.45 H new ATOM 0 HD23 LEU A 118 -1.089 0.136 -12.591 1.00 21.45 H new ATOM 83 N CYS A 119 0.756 2.666 -14.134 1.00 15.00 N ATOM 84 CA CYS A 119 0.989 3.271 -15.434 1.00 43.21 C ATOM 85 C CYS A 119 -0.168 4.226 -15.735 1.00 22.03 C ATOM 86 O CYS A 119 -1.244 3.826 -16.177 1.00 73.10 O ATOM 87 CB CYS A 119 1.156 2.215 -16.528 1.00 62.41 C ATOM 88 SG CYS A 119 2.097 2.913 -17.934 1.00 22.50 S ATOM 0 H CYS A 119 0.631 1.654 -14.151 1.00 15.00 H new ATOM 0 HA CYS A 119 1.924 3.830 -15.414 1.00 43.21 H new ATOM 0 HB2 CYS A 119 1.676 1.344 -16.128 1.00 62.41 H new ATOM 0 HB3 CYS A 119 0.178 1.874 -16.868 1.00 62.41 H new ATOM 0 HG CYS A 119 1.712 2.346 -19.038 1.00 22.50 H new ATOM 93 N GLN A 120 0.081 5.507 -15.482 1.00 70.04 N ATOM 94 CA GLN A 120 -0.921 6.540 -15.716 1.00 74.31 C ATOM 95 C GLN A 120 -1.219 6.682 -17.205 1.00 15.10 C ATOM 96 O GLN A 120 -2.267 7.200 -17.592 1.00 52.12 O ATOM 97 CB GLN A 120 -0.447 7.879 -15.149 1.00 22.45 C ATOM 98 CG GLN A 120 -1.518 8.622 -14.366 1.00 64.41 C ATOM 99 CD GLN A 120 -1.533 10.108 -14.664 1.00 64.14 C ATOM 100 OE1 GLN A 120 -1.069 10.919 -13.862 1.00 33.43 O ATOM 101 NE2 GLN A 120 -2.067 10.474 -15.824 1.00 24.12 N ATOM 0 H GLN A 120 0.967 5.854 -15.115 1.00 70.04 H new ATOM 0 HA GLN A 120 -1.838 6.243 -15.207 1.00 74.31 H new ATOM 0 HB2 GLN A 120 0.411 7.706 -14.500 1.00 22.45 H new ATOM 0 HB3 GLN A 120 -0.104 8.510 -15.969 1.00 22.45 H new ATOM 0 HG2 GLN A 120 -2.494 8.198 -14.601 1.00 64.41 H new ATOM 0 HG3 GLN A 120 -1.353 8.471 -13.299 1.00 64.41 H new ATOM 0 HE21 GLN A 120 -2.440 9.768 -16.459 1.00 24.12 H new ATOM 0 HE22 GLN A 120 -2.104 11.461 -16.080 1.00 24.12 H new ATOM 110 N PHE A 121 -0.291 6.220 -18.036 1.00 74.50 N ATOM 111 CA PHE A 121 -0.454 6.297 -19.483 1.00 71.41 C ATOM 112 C PHE A 121 -0.740 4.919 -20.072 1.00 75.54 C ATOM 113 O PHE A 121 -0.220 4.599 -21.140 1.00 43.20 O ATOM 114 CB PHE A 121 0.801 6.889 -20.128 1.00 31.41 C ATOM 115 CG PHE A 121 0.884 8.384 -20.016 1.00 54.23 C ATOM 116 CD1 PHE A 121 0.875 9.001 -18.776 1.00 22.04 C ATOM 117 CD2 PHE A 121 0.970 9.173 -21.152 1.00 2.10 C ATOM 118 CE1 PHE A 121 0.950 10.377 -18.670 1.00 64.03 C ATOM 119 CE2 PHE A 121 1.046 10.550 -21.053 1.00 21.31 C ATOM 120 CZ PHE A 121 1.037 11.152 -19.810 1.00 42.22 C ATOM 0 H PHE A 121 0.582 5.788 -17.732 1.00 74.50 H new ATOM 0 HA PHE A 121 -1.304 6.947 -19.694 1.00 71.41 H new ATOM 0 HB2 PHE A 121 1.682 6.448 -19.661 1.00 31.41 H new ATOM 0 HB3 PHE A 121 0.825 6.610 -21.181 1.00 31.41 H new ATOM 0 HD1 PHE A 121 0.809 8.400 -17.881 1.00 22.04 H new ATOM 0 HD2 PHE A 121 0.978 8.707 -22.126 1.00 2.10 H new ATOM 0 HE1 PHE A 121 0.941 10.846 -17.697 1.00 64.03 H new ATOM 0 HE2 PHE A 121 1.112 11.154 -21.946 1.00 21.31 H new ATOM 0 HZ PHE A 121 1.098 12.227 -19.730 1.00 42.22 H new ATOM 130 N CYS A 122 -1.553 4.141 -19.372 1.00 2.15 N ATOM 131 CA CYS A 122 -1.897 2.808 -19.835 1.00 23.54 C ATOM 132 C CYS A 122 -3.291 2.861 -20.461 1.00 54.34 C ATOM 133 O CYS A 122 -4.177 3.593 -20.020 1.00 14.13 O ATOM 134 CB CYS A 122 -1.818 1.779 -18.705 1.00 30.41 C ATOM 135 SG CYS A 122 -0.632 0.456 -19.144 1.00 40.14 S ATOM 0 H CYS A 122 -1.984 4.409 -18.487 1.00 2.15 H new ATOM 0 HA CYS A 122 -1.175 2.484 -20.585 1.00 23.54 H new ATOM 0 HB2 CYS A 122 -1.507 2.265 -17.780 1.00 30.41 H new ATOM 0 HB3 CYS A 122 -2.803 1.350 -18.523 1.00 30.41 H new ATOM 0 HG CYS A 122 0.245 0.920 -19.984 1.00 40.14 H new ATOM 140 N ASP A 123 -3.467 2.064 -21.509 1.00 32.31 N ATOM 141 CA ASP A 123 -4.741 2.000 -22.216 1.00 31.41 C ATOM 142 C ASP A 123 -5.189 0.553 -22.400 1.00 25.24 C ATOM 143 O ASP A 123 -5.602 0.155 -23.488 1.00 43.14 O ATOM 144 CB ASP A 123 -4.629 2.688 -23.577 1.00 3.42 C ATOM 145 CG ASP A 123 -5.977 3.118 -24.121 1.00 43.23 C ATOM 146 OD1 ASP A 123 -6.679 3.884 -23.429 1.00 42.30 O ATOM 147 OD2 ASP A 123 -6.330 2.688 -25.239 1.00 71.13 O ATOM 0 H ASP A 123 -2.743 1.453 -21.888 1.00 32.31 H new ATOM 0 HA ASP A 123 -5.487 2.519 -21.615 1.00 31.41 H new ATOM 0 HB2 ASP A 123 -3.981 3.560 -23.488 1.00 3.42 H new ATOM 0 HB3 ASP A 123 -4.154 2.010 -24.286 1.00 3.42 H new ATOM 152 N GLN A 124 -5.102 -0.229 -21.328 1.00 3.30 N ATOM 153 CA GLN A 124 -5.496 -1.632 -21.372 1.00 51.24 C ATOM 154 C GLN A 124 -6.928 -1.811 -20.879 1.00 50.41 C ATOM 155 O GLN A 124 -7.747 -2.452 -21.538 1.00 45.02 O ATOM 156 CB GLN A 124 -4.543 -2.478 -20.527 1.00 32.24 C ATOM 157 CG GLN A 124 -3.328 -2.975 -21.293 1.00 2.03 C ATOM 158 CD GLN A 124 -2.335 -3.700 -20.406 1.00 30.14 C ATOM 159 OE1 GLN A 124 -2.573 -4.833 -19.985 1.00 45.21 O ATOM 160 NE2 GLN A 124 -1.214 -3.050 -20.116 1.00 52.50 N ATOM 0 H GLN A 124 -4.762 0.086 -20.419 1.00 3.30 H new ATOM 0 HA GLN A 124 -5.444 -1.966 -22.408 1.00 51.24 H new ATOM 0 HB2 GLN A 124 -4.208 -1.889 -19.673 1.00 32.24 H new ATOM 0 HB3 GLN A 124 -5.087 -3.335 -20.129 1.00 32.24 H new ATOM 0 HG2 GLN A 124 -3.654 -3.644 -22.089 1.00 2.03 H new ATOM 0 HG3 GLN A 124 -2.833 -2.129 -21.770 1.00 2.03 H new ATOM 0 HE21 GLN A 124 -1.058 -2.113 -20.486 1.00 52.50 H new ATOM 0 HE22 GLN A 124 -0.509 -3.488 -19.523 1.00 52.50 H new ATOM 169 N ASP A 125 -7.223 -1.240 -19.716 1.00 74.23 N ATOM 170 CA ASP A 125 -8.557 -1.336 -19.135 1.00 32.04 C ATOM 171 C ASP A 125 -8.899 -2.783 -18.795 1.00 75.45 C ATOM 172 O ASP A 125 -9.483 -3.513 -19.597 1.00 71.21 O ATOM 173 CB ASP A 125 -9.599 -0.765 -20.098 1.00 11.34 C ATOM 174 CG ASP A 125 -10.112 0.592 -19.657 1.00 12.10 C ATOM 175 OD1 ASP A 125 -9.360 1.581 -19.784 1.00 50.21 O ATOM 176 OD2 ASP A 125 -11.266 0.665 -19.186 1.00 12.21 O ATOM 0 H ASP A 125 -6.557 -0.706 -19.158 1.00 74.23 H new ATOM 0 HA ASP A 125 -8.568 -0.753 -18.214 1.00 32.04 H new ATOM 0 HB2 ASP A 125 -9.162 -0.679 -21.093 1.00 11.34 H new ATOM 0 HB3 ASP A 125 -10.436 -1.459 -20.176 1.00 11.34 H new ATOM 181 N PRO A 126 -8.528 -3.211 -17.580 1.00 4.54 N ATOM 182 CA PRO A 126 -7.832 -2.351 -16.617 1.00 62.12 C ATOM 183 C PRO A 126 -6.405 -2.033 -17.050 1.00 24.42 C ATOM 184 O PRO A 126 -5.832 -2.727 -17.889 1.00 45.04 O ATOM 185 CB PRO A 126 -7.828 -3.186 -15.334 1.00 54.30 C ATOM 186 CG PRO A 126 -7.923 -4.597 -15.800 1.00 70.51 C ATOM 187 CD PRO A 126 -8.757 -4.566 -17.051 1.00 12.41 C ATOM 0 HA PRO A 126 -8.319 -1.382 -16.510 1.00 62.12 H new ATOM 0 HB2 PRO A 126 -6.918 -3.020 -14.757 1.00 54.30 H new ATOM 0 HB3 PRO A 126 -8.667 -2.925 -14.689 1.00 54.30 H new ATOM 0 HG2 PRO A 126 -6.934 -5.009 -16.001 1.00 70.51 H new ATOM 0 HG3 PRO A 126 -8.383 -5.229 -15.040 1.00 70.51 H new ATOM 0 HD2 PRO A 126 -8.446 -5.332 -17.761 1.00 12.41 H new ATOM 0 HD3 PRO A 126 -9.811 -4.740 -16.836 1.00 12.41 H new ATOM 195 N ALA A 127 -5.836 -0.981 -16.471 1.00 10.13 N ATOM 196 CA ALA A 127 -4.475 -0.573 -16.795 1.00 23.30 C ATOM 197 C ALA A 127 -3.454 -1.435 -16.060 1.00 22.11 C ATOM 198 O ALA A 127 -3.818 -2.340 -15.309 1.00 52.33 O ATOM 199 CB ALA A 127 -4.269 0.896 -16.457 1.00 20.11 C ATOM 0 H ALA A 127 -6.297 -0.395 -15.775 1.00 10.13 H new ATOM 0 HA ALA A 127 -4.326 -0.712 -17.866 1.00 23.30 H new ATOM 0 HB1 ALA A 127 -3.248 1.187 -16.704 1.00 20.11 H new ATOM 0 HB2 ALA A 127 -4.968 1.503 -17.032 1.00 20.11 H new ATOM 0 HB3 ALA A 127 -4.443 1.052 -15.392 1.00 20.11 H new ATOM 205 N GLN A 128 -2.175 -1.149 -16.282 1.00 10.42 N ATOM 206 CA GLN A 128 -1.102 -1.899 -15.641 1.00 30.52 C ATOM 207 C GLN A 128 -0.232 -0.984 -14.786 1.00 42.44 C ATOM 208 O GLN A 128 -0.479 0.219 -14.699 1.00 1.24 O ATOM 209 CB GLN A 128 -0.243 -2.602 -16.694 1.00 33.34 C ATOM 210 CG GLN A 128 0.038 -4.061 -16.374 1.00 25.54 C ATOM 211 CD GLN A 128 1.147 -4.643 -17.228 1.00 44.23 C ATOM 212 OE1 GLN A 128 2.330 -4.492 -16.919 1.00 14.22 O ATOM 213 NE2 GLN A 128 0.771 -5.313 -18.311 1.00 40.44 N ATOM 0 H GLN A 128 -1.857 -0.403 -16.901 1.00 10.42 H new ATOM 0 HA GLN A 128 -1.555 -2.649 -14.992 1.00 30.52 H new ATOM 0 HB2 GLN A 128 -0.744 -2.540 -17.660 1.00 33.34 H new ATOM 0 HB3 GLN A 128 0.704 -2.071 -16.792 1.00 33.34 H new ATOM 0 HG2 GLN A 128 0.309 -4.153 -15.322 1.00 25.54 H new ATOM 0 HG3 GLN A 128 -0.872 -4.643 -16.521 1.00 25.54 H new ATOM 0 HE21 GLN A 128 -0.220 -5.414 -18.530 1.00 40.44 H new ATOM 0 HE22 GLN A 128 1.473 -5.727 -18.924 1.00 40.44 H new ATOM 222 N ASP A 129 0.787 -1.561 -14.159 1.00 12.45 N ATOM 223 CA ASP A 129 1.695 -0.796 -13.311 1.00 73.02 C ATOM 224 C ASP A 129 3.015 -0.533 -14.028 1.00 41.34 C ATOM 225 O ASP A 129 3.428 -1.305 -14.892 1.00 63.44 O ATOM 226 CB ASP A 129 1.952 -1.541 -12.000 1.00 53.33 C ATOM 227 CG ASP A 129 2.917 -2.698 -12.171 1.00 54.51 C ATOM 228 OD1 ASP A 129 2.462 -3.798 -12.548 1.00 43.32 O ATOM 229 OD2 ASP A 129 4.126 -2.503 -11.927 1.00 40.10 O ATOM 0 H ASP A 129 1.005 -2.555 -14.222 1.00 12.45 H new ATOM 0 HA ASP A 129 1.225 0.162 -13.089 1.00 73.02 H new ATOM 0 HB2 ASP A 129 2.351 -0.845 -11.262 1.00 53.33 H new ATOM 0 HB3 ASP A 129 1.007 -1.915 -11.607 1.00 53.33 H new ATOM 234 N ALA A 130 3.672 0.564 -13.664 1.00 71.14 N ATOM 235 CA ALA A 130 4.946 0.929 -14.272 1.00 75.42 C ATOM 236 C ALA A 130 6.115 0.519 -13.383 1.00 41.34 C ATOM 237 O ALA A 130 6.220 0.957 -12.238 1.00 2.04 O ATOM 238 CB ALA A 130 4.989 2.424 -14.549 1.00 70.05 C ATOM 0 H ALA A 130 3.343 1.215 -12.951 1.00 71.14 H new ATOM 0 HA ALA A 130 5.037 0.393 -15.217 1.00 75.42 H new ATOM 0 HB1 ALA A 130 5.946 2.683 -15.003 1.00 70.05 H new ATOM 0 HB2 ALA A 130 4.181 2.691 -15.229 1.00 70.05 H new ATOM 0 HB3 ALA A 130 4.872 2.971 -13.613 1.00 70.05 H new ATOM 244 N VAL A 131 6.992 -0.324 -13.919 1.00 5.23 N ATOM 245 CA VAL A 131 8.155 -0.792 -13.174 1.00 62.10 C ATOM 246 C VAL A 131 9.444 -0.214 -13.747 1.00 2.43 C ATOM 247 O VAL A 131 10.515 -0.344 -13.152 1.00 75.15 O ATOM 248 CB VAL A 131 8.246 -2.330 -13.184 1.00 44.44 C ATOM 249 CG1 VAL A 131 6.996 -2.943 -12.573 1.00 1.04 C ATOM 250 CG2 VAL A 131 8.463 -2.841 -14.601 1.00 15.51 C ATOM 0 H VAL A 131 6.919 -0.697 -14.866 1.00 5.23 H new ATOM 0 HA VAL A 131 8.032 -0.449 -12.147 1.00 62.10 H new ATOM 0 HB VAL A 131 9.101 -2.630 -12.579 1.00 44.44 H new ATOM 0 HG11 VAL A 131 7.079 -4.030 -12.589 1.00 1.04 H new ATOM 0 HG12 VAL A 131 6.890 -2.602 -11.543 1.00 1.04 H new ATOM 0 HG13 VAL A 131 6.122 -2.637 -13.148 1.00 1.04 H new ATOM 0 HG21 VAL A 131 8.525 -3.929 -14.590 1.00 15.51 H new ATOM 0 HG22 VAL A 131 7.629 -2.531 -15.231 1.00 15.51 H new ATOM 0 HG23 VAL A 131 9.391 -2.429 -14.998 1.00 15.51 H new ATOM 260 N LYS A 132 9.335 0.427 -14.905 1.00 52.45 N ATOM 261 CA LYS A 132 10.491 1.029 -15.560 1.00 33.22 C ATOM 262 C LYS A 132 10.304 2.534 -15.719 1.00 54.21 C ATOM 263 O LYS A 132 9.179 3.036 -15.703 1.00 41.20 O ATOM 264 CB LYS A 132 10.720 0.385 -16.929 1.00 71.11 C ATOM 265 CG LYS A 132 11.820 -0.663 -16.932 1.00 52.42 C ATOM 266 CD LYS A 132 12.206 -1.062 -18.347 1.00 13.33 C ATOM 267 CE LYS A 132 13.424 -1.973 -18.356 1.00 53.41 C ATOM 268 NZ LYS A 132 13.395 -2.926 -19.500 1.00 13.22 N ATOM 0 H LYS A 132 8.457 0.543 -15.410 1.00 52.45 H new ATOM 0 HA LYS A 132 11.365 0.854 -14.932 1.00 33.22 H new ATOM 0 HB2 LYS A 132 9.791 -0.075 -17.265 1.00 71.11 H new ATOM 0 HB3 LYS A 132 10.969 1.163 -17.650 1.00 71.11 H new ATOM 0 HG2 LYS A 132 12.695 -0.275 -16.411 1.00 52.42 H new ATOM 0 HG3 LYS A 132 11.487 -1.543 -16.383 1.00 52.42 H new ATOM 0 HD2 LYS A 132 11.368 -1.569 -18.825 1.00 13.33 H new ATOM 0 HD3 LYS A 132 12.415 -0.168 -18.934 1.00 13.33 H new ATOM 0 HE2 LYS A 132 14.329 -1.368 -18.410 1.00 53.41 H new ATOM 0 HE3 LYS A 132 13.468 -2.530 -17.420 1.00 53.41 H new ATOM 0 HZ1 LYS A 132 14.242 -3.529 -19.471 1.00 13.22 H new ATOM 0 HZ2 LYS A 132 12.544 -3.520 -19.435 1.00 13.22 H new ATOM 0 HZ3 LYS A 132 13.379 -2.395 -20.394 1.00 13.22 H new ATOM 282 N THR A 133 11.413 3.251 -15.875 1.00 34.25 N ATOM 283 CA THR A 133 11.371 4.698 -16.037 1.00 54.53 C ATOM 284 C THR A 133 12.461 5.177 -16.990 1.00 33.44 C ATOM 285 O THR A 133 13.620 4.804 -16.813 1.00 74.44 O ATOM 286 CB THR A 133 11.532 5.421 -14.686 1.00 61.43 C ATOM 287 OG1 THR A 133 10.652 4.845 -13.715 1.00 31.43 O ATOM 288 CG2 THR A 133 11.237 6.906 -14.828 1.00 52.10 C ATOM 0 H THR A 133 12.352 2.852 -15.892 1.00 34.25 H new ATOM 0 HA THR A 133 10.394 4.940 -16.455 1.00 54.53 H new ATOM 0 HB THR A 133 12.564 5.302 -14.356 1.00 61.43 H new ATOM 0 HG1 THR A 133 11.067 4.044 -13.331 1.00 31.43 H new ATOM 0 HG21 THR A 133 11.357 7.395 -13.861 1.00 52.10 H new ATOM 0 HG22 THR A 133 11.928 7.347 -15.546 1.00 52.10 H new ATOM 0 HG23 THR A 133 10.214 7.042 -15.178 1.00 52.10 H new ATOM 296 N CYS A 134 12.072 5.983 -17.966 1.00 62.04 N ATOM 297 CA CYS A 134 13.025 6.501 -18.933 1.00 5.12 C ATOM 298 C CYS A 134 13.348 7.949 -18.560 1.00 43.51 C ATOM 299 O CYS A 134 12.468 8.765 -18.285 1.00 20.24 O ATOM 300 CB CYS A 134 12.500 6.384 -20.365 1.00 14.01 C ATOM 301 SG CYS A 134 13.669 7.177 -21.528 1.00 22.31 S ATOM 0 H CYS A 134 11.110 6.290 -18.108 1.00 62.04 H new ATOM 0 HA CYS A 134 13.938 5.906 -18.902 1.00 5.12 H new ATOM 0 HB2 CYS A 134 12.368 5.334 -20.628 1.00 14.01 H new ATOM 0 HB3 CYS A 134 11.521 6.857 -20.442 1.00 14.01 H new ATOM 0 HG CYS A 134 14.868 7.149 -21.025 1.00 22.31 H new ATOM 306 N VAL A 135 14.642 8.254 -18.558 1.00 23.25 N ATOM 307 CA VAL A 135 15.112 9.593 -18.225 1.00 10.34 C ATOM 308 C VAL A 135 14.834 10.571 -19.361 1.00 3.23 C ATOM 309 O VAL A 135 14.261 11.640 -19.149 1.00 40.51 O ATOM 310 CB VAL A 135 16.621 9.598 -17.915 1.00 13.32 C ATOM 311 CG1 VAL A 135 17.043 10.940 -17.336 1.00 51.23 C ATOM 312 CG2 VAL A 135 16.973 8.464 -16.964 1.00 53.11 C ATOM 0 H VAL A 135 15.384 7.591 -18.783 1.00 23.25 H new ATOM 0 HA VAL A 135 14.566 9.908 -17.336 1.00 10.34 H new ATOM 0 HB VAL A 135 17.166 9.443 -18.846 1.00 13.32 H new ATOM 0 HG11 VAL A 135 18.112 10.925 -17.123 1.00 51.23 H new ATOM 0 HG12 VAL A 135 16.827 11.730 -18.055 1.00 51.23 H new ATOM 0 HG13 VAL A 135 16.492 11.128 -16.414 1.00 51.23 H new ATOM 0 HG21 VAL A 135 18.043 8.483 -16.756 1.00 53.11 H new ATOM 0 HG22 VAL A 135 16.420 8.585 -16.033 1.00 53.11 H new ATOM 0 HG23 VAL A 135 16.709 7.510 -17.421 1.00 53.11 H new ATOM 322 N THR A 136 15.244 10.198 -20.569 1.00 44.01 N ATOM 323 CA THR A 136 15.041 11.042 -21.740 1.00 32.13 C ATOM 324 C THR A 136 13.563 11.357 -21.940 1.00 72.21 C ATOM 325 O THR A 136 13.242 12.347 -22.596 1.00 22.11 O ATOM 326 CB THR A 136 15.589 10.375 -23.015 1.00 64.02 C ATOM 327 OG1 THR A 136 16.914 9.884 -22.781 1.00 1.44 O ATOM 328 CG2 THR A 136 15.606 11.358 -24.176 1.00 15.21 C ATOM 0 H THR A 136 15.719 9.316 -20.762 1.00 44.01 H new ATOM 0 HA THR A 136 15.587 11.968 -21.561 1.00 32.13 H new ATOM 0 HB THR A 136 14.934 9.543 -23.273 1.00 64.02 H new ATOM 0 HG1 THR A 136 17.371 9.756 -23.638 1.00 1.44 H new ATOM 0 HG21 THR A 136 15.997 10.864 -25.065 1.00 15.21 H new ATOM 0 HG22 THR A 136 14.592 11.708 -24.371 1.00 15.21 H new ATOM 0 HG23 THR A 136 16.241 12.208 -23.924 1.00 15.21 H new ATOM 336 N CYS A 137 12.704 10.519 -21.378 1.00 3.04 N ATOM 337 CA CYS A 137 11.271 10.721 -21.502 1.00 72.11 C ATOM 338 C CYS A 137 10.792 11.526 -20.292 1.00 41.14 C ATOM 339 O CYS A 137 9.796 12.246 -20.342 1.00 53.31 O ATOM 340 CB CYS A 137 10.522 9.393 -21.636 1.00 41.34 C ATOM 341 SG CYS A 137 10.693 8.748 -23.340 1.00 40.03 S ATOM 0 H CYS A 137 12.974 9.698 -20.835 1.00 3.04 H new ATOM 0 HA CYS A 137 11.058 11.277 -22.415 1.00 72.11 H new ATOM 0 HB2 CYS A 137 10.917 8.669 -20.923 1.00 41.34 H new ATOM 0 HB3 CYS A 137 9.468 9.534 -21.396 1.00 41.34 H new ATOM 0 HG CYS A 137 10.056 7.620 -23.443 1.00 40.03 H new ATOM 346 N GLU A 138 11.531 11.386 -19.196 1.00 42.33 N ATOM 347 CA GLU A 138 11.204 12.088 -17.961 1.00 21.14 C ATOM 348 C GLU A 138 9.866 11.612 -17.403 1.00 31.24 C ATOM 349 O GLU A 138 9.135 12.377 -16.774 1.00 52.41 O ATOM 350 CB GLU A 138 11.160 13.598 -18.202 1.00 2.22 C ATOM 351 CG GLU A 138 11.751 14.414 -17.064 1.00 65.32 C ATOM 352 CD GLU A 138 11.234 15.839 -17.038 1.00 23.13 C ATOM 353 OE1 GLU A 138 10.082 16.060 -17.464 1.00 51.43 O ATOM 354 OE2 GLU A 138 11.983 16.733 -16.590 1.00 32.32 O ATOM 0 H GLU A 138 12.359 10.793 -19.138 1.00 42.33 H new ATOM 0 HA GLU A 138 11.982 11.867 -17.231 1.00 21.14 H new ATOM 0 HB2 GLU A 138 11.700 13.827 -19.121 1.00 2.22 H new ATOM 0 HB3 GLU A 138 10.125 13.903 -18.357 1.00 2.22 H new ATOM 0 HG2 GLU A 138 11.518 13.930 -16.116 1.00 65.32 H new ATOM 0 HG3 GLU A 138 12.837 14.427 -17.157 1.00 65.32 H new ATOM 361 N VAL A 139 9.551 10.342 -17.638 1.00 25.23 N ATOM 362 CA VAL A 139 8.302 9.762 -17.159 1.00 2.31 C ATOM 363 C VAL A 139 8.458 8.271 -16.885 1.00 73.45 C ATOM 364 O VAL A 139 9.257 7.591 -17.529 1.00 71.14 O ATOM 365 CB VAL A 139 7.162 9.971 -18.173 1.00 13.01 C ATOM 366 CG1 VAL A 139 5.843 9.470 -17.604 1.00 60.42 C ATOM 367 CG2 VAL A 139 7.060 11.437 -18.565 1.00 14.32 C ATOM 0 H VAL A 139 10.144 9.695 -18.158 1.00 25.23 H new ATOM 0 HA VAL A 139 8.050 10.274 -16.230 1.00 2.31 H new ATOM 0 HB VAL A 139 7.386 9.394 -19.070 1.00 13.01 H new ATOM 0 HG11 VAL A 139 5.049 9.626 -18.334 1.00 60.42 H new ATOM 0 HG12 VAL A 139 5.925 8.407 -17.378 1.00 60.42 H new ATOM 0 HG13 VAL A 139 5.609 10.018 -16.691 1.00 60.42 H new ATOM 0 HG21 VAL A 139 6.249 11.566 -19.282 1.00 14.32 H new ATOM 0 HG22 VAL A 139 6.859 12.038 -17.678 1.00 14.32 H new ATOM 0 HG23 VAL A 139 7.998 11.759 -19.016 1.00 14.32 H new ATOM 377 N SER A 140 7.688 7.767 -15.926 1.00 73.01 N ATOM 378 CA SER A 140 7.742 6.355 -15.564 1.00 51.35 C ATOM 379 C SER A 140 6.584 5.588 -16.196 1.00 22.02 C ATOM 380 O SER A 140 5.418 5.847 -15.899 1.00 32.13 O ATOM 381 CB SER A 140 7.706 6.195 -14.043 1.00 53.05 C ATOM 382 OG SER A 140 7.998 4.861 -13.664 1.00 54.21 O ATOM 0 H SER A 140 7.019 8.315 -15.385 1.00 73.01 H new ATOM 0 HA SER A 140 8.677 5.943 -15.943 1.00 51.35 H new ATOM 0 HB2 SER A 140 8.427 6.873 -13.586 1.00 53.05 H new ATOM 0 HB3 SER A 140 6.722 6.476 -13.668 1.00 53.05 H new ATOM 0 HG SER A 140 8.908 4.632 -13.948 1.00 54.21 H new ATOM 388 N TYR A 141 6.916 4.643 -17.068 1.00 75.14 N ATOM 389 CA TYR A 141 5.905 3.839 -17.745 1.00 34.45 C ATOM 390 C TYR A 141 6.132 2.352 -17.490 1.00 35.42 C ATOM 391 O TYR A 141 7.076 1.997 -16.786 1.00 41.11 O ATOM 392 CB TYR A 141 5.922 4.118 -19.248 1.00 50.32 C ATOM 393 CG TYR A 141 5.504 5.526 -19.607 1.00 42.41 C ATOM 394 CD1 TYR A 141 4.438 6.142 -18.963 1.00 20.52 C ATOM 395 CD2 TYR A 141 6.177 6.242 -20.590 1.00 53.21 C ATOM 396 CE1 TYR A 141 4.053 7.428 -19.288 1.00 74.51 C ATOM 397 CE2 TYR A 141 5.799 7.529 -20.921 1.00 1.31 C ATOM 398 CZ TYR A 141 4.736 8.117 -20.268 1.00 3.34 C ATOM 399 OH TYR A 141 4.356 9.399 -20.594 1.00 3.15 O ATOM 0 H TYR A 141 7.877 4.415 -17.323 1.00 75.14 H new ATOM 0 HA TYR A 141 4.930 4.114 -17.343 1.00 34.45 H new ATOM 0 HB2 TYR A 141 6.926 3.937 -19.631 1.00 50.32 H new ATOM 0 HB3 TYR A 141 5.258 3.412 -19.748 1.00 50.32 H new ATOM 0 HD1 TYR A 141 3.901 5.606 -18.195 1.00 20.52 H new ATOM 0 HD2 TYR A 141 7.010 5.785 -21.104 1.00 53.21 H new ATOM 0 HE1 TYR A 141 3.222 7.891 -18.777 1.00 74.51 H new ATOM 0 HE2 TYR A 141 6.333 8.072 -21.687 1.00 1.31 H new ATOM 0 HH TYR A 141 3.390 9.423 -20.755 1.00 3.15 H new ATOM 409 N CYS A 142 5.270 1.524 -18.062 1.00 71.51 N ATOM 410 CA CYS A 142 5.387 0.085 -17.890 1.00 42.54 C ATOM 411 C CYS A 142 6.069 -0.492 -19.132 1.00 63.50 C ATOM 412 O CYS A 142 6.337 0.202 -20.113 1.00 14.34 O ATOM 413 CB CYS A 142 4.027 -0.566 -17.631 1.00 43.00 C ATOM 414 SG CYS A 142 3.053 -0.617 -19.179 1.00 35.50 S ATOM 0 H CYS A 142 4.488 1.822 -18.645 1.00 71.51 H new ATOM 0 HA CYS A 142 5.993 -0.131 -17.010 1.00 42.54 H new ATOM 0 HB2 CYS A 142 4.166 -1.576 -17.245 1.00 43.00 H new ATOM 0 HB3 CYS A 142 3.485 -0.005 -16.869 1.00 43.00 H new ATOM 0 HG CYS A 142 1.845 -0.196 -18.946 1.00 35.50 H new ATOM 419 N ASP A 143 6.347 -1.790 -19.067 1.00 52.14 N ATOM 420 CA ASP A 143 6.995 -2.489 -20.171 1.00 4.03 C ATOM 421 C ASP A 143 6.163 -2.385 -21.445 1.00 14.24 C ATOM 422 O ASP A 143 6.694 -2.134 -22.526 1.00 22.24 O ATOM 423 CB ASP A 143 7.218 -3.959 -19.811 1.00 0.31 C ATOM 424 CG ASP A 143 8.109 -4.671 -20.809 1.00 44.33 C ATOM 425 OD1 ASP A 143 8.384 -4.089 -21.880 1.00 61.21 O ATOM 426 OD2 ASP A 143 8.533 -5.809 -20.520 1.00 11.03 O ATOM 0 H ASP A 143 6.134 -2.379 -18.262 1.00 52.14 H new ATOM 0 HA ASP A 143 7.960 -2.016 -20.351 1.00 4.03 H new ATOM 0 HB2 ASP A 143 7.665 -4.023 -18.819 1.00 0.31 H new ATOM 0 HB3 ASP A 143 6.255 -4.468 -19.760 1.00 0.31 H new ATOM 431 N GLU A 144 4.855 -2.580 -21.308 1.00 73.02 N ATOM 432 CA GLU A 144 3.950 -2.510 -22.449 1.00 55.32 C ATOM 433 C GLU A 144 4.140 -1.204 -23.215 1.00 43.15 C ATOM 434 O GLU A 144 4.595 -1.236 -24.358 1.00 22.31 O ATOM 435 CB GLU A 144 2.497 -2.634 -21.985 1.00 11.55 C ATOM 436 CG GLU A 144 1.553 -3.135 -23.064 1.00 61.34 C ATOM 437 CD GLU A 144 0.481 -2.123 -23.418 1.00 71.14 C ATOM 438 OE1 GLU A 144 0.017 -1.406 -22.507 1.00 61.15 O ATOM 439 OE2 GLU A 144 0.106 -2.048 -24.607 1.00 70.44 O ATOM 0 H GLU A 144 4.399 -2.787 -20.419 1.00 73.02 H new ATOM 0 HA GLU A 144 4.183 -3.340 -23.116 1.00 55.32 H new ATOM 0 HB2 GLU A 144 2.453 -3.312 -21.133 1.00 11.55 H new ATOM 0 HB3 GLU A 144 2.152 -1.661 -21.636 1.00 11.55 H new ATOM 0 HG2 GLU A 144 2.126 -3.379 -23.958 1.00 61.34 H new ATOM 0 HG3 GLU A 144 1.080 -4.057 -22.727 1.00 61.34 H new ATOM 446 N CYS A 145 3.792 -0.096 -22.578 1.00 31.25 N ATOM 447 CA CYS A 145 3.929 1.205 -23.209 1.00 12.43 C ATOM 448 C CYS A 145 5.377 1.362 -23.678 1.00 34.11 C ATOM 449 O CYS A 145 5.658 1.794 -24.797 1.00 12.25 O ATOM 450 CB CYS A 145 3.508 2.337 -22.269 1.00 21.03 C ATOM 451 SG CYS A 145 1.805 2.048 -21.664 1.00 61.11 S ATOM 0 H CYS A 145 3.415 -0.073 -21.630 1.00 31.25 H new ATOM 0 HA CYS A 145 3.261 1.267 -24.068 1.00 12.43 H new ATOM 0 HB2 CYS A 145 4.197 2.396 -21.426 1.00 21.03 H new ATOM 0 HB3 CYS A 145 3.560 3.292 -22.791 1.00 21.03 H new ATOM 0 HG CYS A 145 1.180 3.184 -21.569 1.00 61.11 H new ATOM 456 N LEU A 146 6.297 0.998 -22.791 1.00 75.24 N ATOM 457 CA LEU A 146 7.722 1.087 -23.088 1.00 22.12 C ATOM 458 C LEU A 146 8.047 0.402 -24.411 1.00 61.32 C ATOM 459 O LEU A 146 9.016 0.755 -25.084 1.00 73.53 O ATOM 460 CB LEU A 146 8.538 0.454 -21.959 1.00 42.50 C ATOM 461 CG LEU A 146 10.058 0.499 -22.123 1.00 52.20 C ATOM 462 CD1 LEU A 146 10.602 1.852 -21.690 1.00 32.21 C ATOM 463 CD2 LEU A 146 10.713 -0.621 -21.328 1.00 43.41 C ATOM 0 H LEU A 146 6.081 0.639 -21.861 1.00 75.24 H new ATOM 0 HA LEU A 146 7.985 2.141 -23.172 1.00 22.12 H new ATOM 0 HB2 LEU A 146 8.278 0.954 -21.026 1.00 42.50 H new ATOM 0 HB3 LEU A 146 8.234 -0.588 -21.858 1.00 42.50 H new ATOM 0 HG LEU A 146 10.295 0.356 -23.177 1.00 52.20 H new ATOM 0 HD11 LEU A 146 11.685 1.865 -21.814 1.00 32.21 H new ATOM 0 HD12 LEU A 146 10.157 2.636 -22.303 1.00 32.21 H new ATOM 0 HD13 LEU A 146 10.354 2.026 -20.643 1.00 32.21 H new ATOM 0 HD21 LEU A 146 11.794 -0.574 -21.456 1.00 43.41 H new ATOM 0 HD22 LEU A 146 10.468 -0.509 -20.272 1.00 43.41 H new ATOM 0 HD23 LEU A 146 10.347 -1.583 -21.686 1.00 43.41 H new ATOM 475 N LYS A 147 7.230 -0.579 -24.780 1.00 53.21 N ATOM 476 CA LYS A 147 7.427 -1.312 -26.025 1.00 32.22 C ATOM 477 C LYS A 147 6.995 -0.474 -27.224 1.00 64.32 C ATOM 478 O LYS A 147 7.642 -0.493 -28.271 1.00 70.21 O ATOM 479 CB LYS A 147 6.641 -2.625 -25.997 1.00 53.02 C ATOM 480 CG LYS A 147 7.199 -3.688 -26.928 1.00 14.31 C ATOM 481 CD LYS A 147 6.224 -4.839 -27.108 1.00 35.13 C ATOM 482 CE LYS A 147 6.166 -5.300 -28.556 1.00 54.52 C ATOM 483 NZ LYS A 147 5.143 -6.363 -28.760 1.00 23.03 N ATOM 0 H LYS A 147 6.425 -0.885 -24.234 1.00 53.21 H new ATOM 0 HA LYS A 147 8.490 -1.534 -26.123 1.00 32.22 H new ATOM 0 HB2 LYS A 147 6.634 -3.013 -24.978 1.00 53.02 H new ATOM 0 HB3 LYS A 147 5.605 -2.424 -26.268 1.00 53.02 H new ATOM 0 HG2 LYS A 147 7.421 -3.243 -27.898 1.00 14.31 H new ATOM 0 HG3 LYS A 147 8.140 -4.066 -26.528 1.00 14.31 H new ATOM 0 HD2 LYS A 147 6.522 -5.672 -26.472 1.00 35.13 H new ATOM 0 HD3 LYS A 147 5.230 -4.530 -26.784 1.00 35.13 H new ATOM 0 HE2 LYS A 147 5.939 -4.450 -29.199 1.00 54.52 H new ATOM 0 HE3 LYS A 147 7.144 -5.675 -28.857 1.00 54.52 H new ATOM 0 HZ1 LYS A 147 5.135 -6.650 -29.760 1.00 23.03 H new ATOM 0 HZ2 LYS A 147 5.373 -7.185 -28.166 1.00 23.03 H new ATOM 0 HZ3 LYS A 147 4.205 -5.998 -28.497 1.00 23.03 H new ATOM 497 N ALA A 148 5.900 0.261 -27.063 1.00 61.14 N ATOM 498 CA ALA A 148 5.385 1.108 -28.132 1.00 1.22 C ATOM 499 C ALA A 148 6.210 2.383 -28.267 1.00 44.34 C ATOM 500 O ALA A 148 6.387 2.908 -29.368 1.00 34.14 O ATOM 501 CB ALA A 148 3.924 1.448 -27.878 1.00 73.54 C ATOM 0 H ALA A 148 5.352 0.287 -26.203 1.00 61.14 H new ATOM 0 HA ALA A 148 5.461 0.556 -29.069 1.00 1.22 H new ATOM 0 HB1 ALA A 148 3.552 2.081 -28.684 1.00 73.54 H new ATOM 0 HB2 ALA A 148 3.338 0.530 -27.838 1.00 73.54 H new ATOM 0 HB3 ALA A 148 3.833 1.977 -26.930 1.00 73.54 H new ATOM 507 N THR A 149 6.715 2.879 -27.142 1.00 33.05 N ATOM 508 CA THR A 149 7.520 4.094 -27.134 1.00 72.25 C ATOM 509 C THR A 149 8.958 3.803 -27.548 1.00 72.23 C ATOM 510 O THR A 149 9.523 4.495 -28.396 1.00 11.14 O ATOM 511 CB THR A 149 7.522 4.758 -25.745 1.00 0.22 C ATOM 512 OG1 THR A 149 7.868 3.796 -24.742 1.00 71.03 O ATOM 513 CG2 THR A 149 6.160 5.359 -25.430 1.00 64.10 C ATOM 0 H THR A 149 6.580 2.457 -26.223 1.00 33.05 H new ATOM 0 HA THR A 149 7.068 4.777 -27.854 1.00 72.25 H new ATOM 0 HB THR A 149 8.262 5.558 -25.751 1.00 0.22 H new ATOM 0 HG1 THR A 149 7.868 4.227 -23.862 1.00 71.03 H new ATOM 0 HG21 THR A 149 6.186 5.822 -24.444 1.00 64.10 H new ATOM 0 HG22 THR A 149 5.913 6.112 -26.178 1.00 64.10 H new ATOM 0 HG23 THR A 149 5.404 4.574 -25.442 1.00 64.10 H new ATOM 521 N HIS A 150 9.545 2.774 -26.946 1.00 25.21 N ATOM 522 CA HIS A 150 10.919 2.390 -27.254 1.00 13.35 C ATOM 523 C HIS A 150 10.950 1.202 -28.209 1.00 73.45 C ATOM 524 O HIS A 150 10.682 0.061 -27.830 1.00 5.44 O ATOM 525 CB HIS A 150 11.675 2.047 -25.970 1.00 35.14 C ATOM 526 CG HIS A 150 11.749 3.183 -24.996 1.00 73.22 C ATOM 527 ND1 HIS A 150 12.608 3.195 -23.918 1.00 32.23 N ATOM 528 CD2 HIS A 150 11.066 4.350 -24.944 1.00 55.11 C ATOM 529 CE1 HIS A 150 12.449 4.320 -23.243 1.00 74.43 C ATOM 530 NE2 HIS A 150 11.519 5.039 -23.846 1.00 33.42 N ATOM 0 H HIS A 150 9.092 2.191 -26.242 1.00 25.21 H new ATOM 0 HA HIS A 150 11.406 3.236 -27.739 1.00 13.35 H new ATOM 0 HB2 HIS A 150 11.190 1.198 -25.489 1.00 35.14 H new ATOM 0 HB3 HIS A 150 12.687 1.733 -26.227 1.00 35.14 H new ATOM 0 HD2 HIS A 150 10.306 4.678 -25.637 1.00 55.11 H new ATOM 0 HE1 HIS A 150 12.987 4.603 -22.351 1.00 74.43 H new ATOM 0 HE2 HIS A 150 11.191 5.957 -23.545 1.00 33.42 H new ATOM 664 N HIS A 159 17.687 5.802 -26.256 1.00 74.05 N ATOM 665 CA HIS A 159 16.990 6.315 -25.082 1.00 25.43 C ATOM 666 C HIS A 159 17.765 5.991 -23.807 1.00 54.13 C ATOM 667 O HIS A 159 18.296 4.891 -23.655 1.00 44.20 O ATOM 668 CB HIS A 159 15.582 5.726 -25.000 1.00 31.40 C ATOM 669 CG HIS A 159 14.562 6.502 -25.775 1.00 2.11 C ATOM 670 ND1 HIS A 159 13.293 6.759 -25.302 1.00 34.42 N ATOM 671 CD2 HIS A 159 14.631 7.081 -26.997 1.00 30.15 C ATOM 672 CE1 HIS A 159 12.624 7.460 -26.200 1.00 0.14 C ATOM 673 NE2 HIS A 159 13.414 7.669 -27.237 1.00 51.53 N ATOM 0 HA HIS A 159 16.917 7.398 -25.178 1.00 25.43 H new ATOM 0 HB2 HIS A 159 15.604 4.701 -25.369 1.00 31.40 H new ATOM 0 HB3 HIS A 159 15.276 5.682 -23.955 1.00 31.40 H new ATOM 0 HD1 HIS A 159 12.928 6.455 -24.399 1.00 34.42 H new ATOM 0 HD2 HIS A 159 15.484 7.080 -27.659 1.00 30.15 H new ATOM 0 HE1 HIS A 159 11.605 7.804 -26.102 1.00 0.14 H new ATOM 680 N ARG A 160 17.824 6.956 -22.896 1.00 0.33 N ATOM 681 CA ARG A 160 18.535 6.774 -21.636 1.00 12.52 C ATOM 682 C ARG A 160 17.562 6.460 -20.503 1.00 71.32 C ATOM 683 O ARG A 160 16.531 7.117 -20.355 1.00 73.14 O ATOM 684 CB ARG A 160 19.342 8.029 -21.295 1.00 72.24 C ATOM 685 CG ARG A 160 20.704 8.077 -21.967 1.00 43.31 C ATOM 686 CD ARG A 160 21.661 8.993 -21.220 1.00 65.20 C ATOM 687 NE ARG A 160 23.046 8.541 -21.327 1.00 3.31 N ATOM 688 CZ ARG A 160 23.755 8.604 -22.448 1.00 43.35 C ATOM 689 NH1 ARG A 160 23.213 9.098 -23.553 1.00 34.21 N ATOM 690 NH2 ARG A 160 25.010 8.174 -22.467 1.00 22.45 N ATOM 0 H ARG A 160 17.388 7.872 -23.006 1.00 0.33 H new ATOM 0 HA ARG A 160 19.217 5.931 -21.751 1.00 12.52 H new ATOM 0 HB2 ARG A 160 18.770 8.909 -21.588 1.00 72.24 H new ATOM 0 HB3 ARG A 160 19.477 8.082 -20.215 1.00 72.24 H new ATOM 0 HG2 ARG A 160 21.123 7.072 -22.015 1.00 43.31 H new ATOM 0 HG3 ARG A 160 20.592 8.425 -22.994 1.00 43.31 H new ATOM 0 HD2 ARG A 160 21.578 10.005 -21.616 1.00 65.20 H new ATOM 0 HD3 ARG A 160 21.374 9.038 -20.169 1.00 65.20 H new ATOM 0 HE ARG A 160 23.493 8.156 -20.495 1.00 3.31 H new ATOM 0 HH11 ARG A 160 22.249 9.431 -23.543 1.00 34.21 H new ATOM 0 HH12 ARG A 160 23.760 9.145 -24.412 1.00 34.21 H new ATOM 0 HH21 ARG A 160 25.432 7.794 -21.620 1.00 22.45 H new ATOM 0 HH22 ARG A 160 25.553 8.223 -23.329 1.00 22.45 H new ATOM 704 N LEU A 161 17.896 5.451 -19.707 1.00 22.44 N ATOM 705 CA LEU A 161 17.052 5.048 -18.587 1.00 63.40 C ATOM 706 C LEU A 161 17.898 4.676 -17.373 1.00 43.43 C ATOM 707 O LEU A 161 19.107 4.910 -17.353 1.00 22.45 O ATOM 708 CB LEU A 161 16.169 3.865 -18.988 1.00 61.24 C ATOM 709 CG LEU A 161 15.375 4.029 -20.285 1.00 3.51 C ATOM 710 CD1 LEU A 161 16.181 3.524 -21.472 1.00 12.22 C ATOM 711 CD2 LEU A 161 14.044 3.298 -20.192 1.00 11.55 C ATOM 0 H LEU A 161 18.745 4.897 -19.816 1.00 22.44 H new ATOM 0 HA LEU A 161 16.418 5.893 -18.320 1.00 63.40 H new ATOM 0 HB2 LEU A 161 16.800 2.981 -19.081 1.00 61.24 H new ATOM 0 HB3 LEU A 161 15.466 3.671 -18.178 1.00 61.24 H new ATOM 0 HG LEU A 161 15.174 5.090 -20.433 1.00 3.51 H new ATOM 0 HD11 LEU A 161 15.600 3.649 -22.386 1.00 12.22 H new ATOM 0 HD12 LEU A 161 17.108 4.092 -21.551 1.00 12.22 H new ATOM 0 HD13 LEU A 161 16.414 2.468 -21.331 1.00 12.22 H new ATOM 0 HD21 LEU A 161 13.493 3.426 -21.124 1.00 11.55 H new ATOM 0 HD22 LEU A 161 14.223 2.237 -20.019 1.00 11.55 H new ATOM 0 HD23 LEU A 161 13.461 3.707 -19.367 1.00 11.55 H new ATOM 723 N ILE A 162 17.255 4.096 -16.366 1.00 25.13 N ATOM 724 CA ILE A 162 17.950 3.689 -15.150 1.00 53.43 C ATOM 725 C ILE A 162 18.698 2.377 -15.358 1.00 3.15 C ATOM 726 O ILE A 162 18.363 1.594 -16.246 1.00 4.41 O ATOM 727 CB ILE A 162 16.973 3.529 -13.971 1.00 13.34 C ATOM 728 CG1 ILE A 162 15.942 4.660 -13.977 1.00 34.30 C ATOM 729 CG2 ILE A 162 17.733 3.506 -12.653 1.00 33.31 C ATOM 730 CD1 ILE A 162 16.558 6.040 -13.939 1.00 4.41 C ATOM 0 H ILE A 162 16.255 3.897 -16.367 1.00 25.13 H new ATOM 0 HA ILE A 162 18.664 4.478 -14.915 1.00 53.43 H new ATOM 0 HB ILE A 162 16.446 2.581 -14.081 1.00 13.34 H new ATOM 0 HG12 ILE A 162 15.323 4.572 -14.870 1.00 34.30 H new ATOM 0 HG13 ILE A 162 15.281 4.542 -13.118 1.00 34.30 H new ATOM 0 HG21 ILE A 162 17.029 3.392 -11.829 1.00 33.31 H new ATOM 0 HG22 ILE A 162 18.432 2.670 -12.651 1.00 33.31 H new ATOM 0 HG23 ILE A 162 18.283 4.439 -12.534 1.00 33.31 H new ATOM 0 HD11 ILE A 162 15.768 6.791 -13.946 1.00 4.41 H new ATOM 0 HD12 ILE A 162 17.154 6.148 -13.033 1.00 4.41 H new ATOM 0 HD13 ILE A 162 17.197 6.177 -14.811 1.00 4.41 H new ATOM 894 N LEU A 173 24.466 -3.959 -8.614 1.00 41.40 N ATOM 895 CA LEU A 173 25.003 -3.210 -9.745 1.00 52.30 C ATOM 896 C LEU A 173 25.338 -1.778 -9.340 1.00 42.11 C ATOM 897 O LEU A 173 24.982 -1.331 -8.250 1.00 70.22 O ATOM 898 CB LEU A 173 24.000 -3.204 -10.900 1.00 50.41 C ATOM 899 CG LEU A 173 24.031 -4.423 -11.822 1.00 51.13 C ATOM 900 CD1 LEU A 173 22.618 -4.880 -12.151 1.00 10.32 C ATOM 901 CD2 LEU A 173 24.801 -4.109 -13.096 1.00 45.43 C ATOM 0 HA LEU A 173 25.921 -3.700 -10.071 1.00 52.30 H new ATOM 0 HB2 LEU A 173 22.997 -3.114 -10.483 1.00 50.41 H new ATOM 0 HB3 LEU A 173 24.176 -2.313 -11.503 1.00 50.41 H new ATOM 0 HG LEU A 173 24.542 -5.234 -11.303 1.00 51.13 H new ATOM 0 HD11 LEU A 173 22.660 -5.749 -12.808 1.00 10.32 H new ATOM 0 HD12 LEU A 173 22.098 -5.146 -11.231 1.00 10.32 H new ATOM 0 HD13 LEU A 173 22.082 -4.073 -12.650 1.00 10.32 H new ATOM 0 HD21 LEU A 173 24.813 -4.988 -13.740 1.00 45.43 H new ATOM 0 HD22 LEU A 173 24.319 -3.283 -13.618 1.00 45.43 H new ATOM 0 HD23 LEU A 173 25.824 -3.831 -12.843 1.00 45.43 H new ATOM 913 N MET A 174 26.024 -1.063 -10.226 1.00 54.13 N ATOM 914 CA MET A 174 26.404 0.320 -9.962 1.00 72.01 C ATOM 915 C MET A 174 25.616 1.279 -10.849 1.00 11.25 C ATOM 916 O MET A 174 24.934 0.827 -11.767 1.00 31.12 O ATOM 917 CB MET A 174 27.904 0.511 -10.191 1.00 3.51 C ATOM 918 CG MET A 174 28.649 1.002 -8.960 1.00 0.01 C ATOM 919 SD MET A 174 30.437 0.832 -9.116 1.00 62.22 S ATOM 920 CE MET A 174 30.606 -0.951 -9.148 1.00 22.05 C ATOM 0 H MET A 174 26.328 -1.418 -11.133 1.00 54.13 H new ATOM 0 HA MET A 174 26.171 0.542 -8.921 1.00 72.01 H new ATOM 0 HB2 MET A 174 28.337 -0.435 -10.514 1.00 3.51 H new ATOM 0 HB3 MET A 174 28.052 1.223 -11.003 1.00 3.51 H new ATOM 0 HG2 MET A 174 28.402 2.049 -8.784 1.00 0.01 H new ATOM 0 HG3 MET A 174 28.310 0.443 -8.088 1.00 0.01 H new ATOM 0 HE1 MET A 174 31.595 -1.229 -8.784 1.00 22.05 H new ATOM 0 HE2 MET A 174 29.845 -1.400 -8.510 1.00 22.05 H new ATOM 0 HE3 MET A 174 30.481 -1.310 -10.170 1.00 22.05 H new ATOM 930 N CYS A 175 25.724 2.567 -10.559 1.00 5.54 N ATOM 931 CA CYS A 175 25.018 3.572 -11.336 1.00 21.43 C ATOM 932 C CYS A 175 25.755 3.758 -12.663 1.00 63.24 C ATOM 933 O CYS A 175 26.769 3.116 -12.944 1.00 11.55 O ATOM 934 CB CYS A 175 24.883 4.888 -10.569 1.00 15.54 C ATOM 935 SG CYS A 175 23.174 5.526 -10.717 1.00 53.21 S ATOM 0 H CYS A 175 26.290 2.938 -9.796 1.00 5.54 H new ATOM 0 HA CYS A 175 24.000 3.235 -11.531 1.00 21.43 H new ATOM 0 HB2 CYS A 175 25.133 4.734 -9.519 1.00 15.54 H new ATOM 0 HB3 CYS A 175 25.589 5.621 -10.960 1.00 15.54 H new ATOM 0 HG CYS A 175 22.868 6.199 -9.647 1.00 53.21 H new ATOM 940 N LEU A 176 25.220 4.657 -13.481 1.00 41.34 N ATOM 941 CA LEU A 176 25.806 4.950 -14.785 1.00 54.11 C ATOM 942 C LEU A 176 27.236 5.460 -14.638 1.00 33.34 C ATOM 943 O LEU A 176 28.179 4.840 -15.129 1.00 13.25 O ATOM 944 CB LEU A 176 24.957 5.985 -15.526 1.00 62.23 C ATOM 945 CG LEU A 176 24.079 5.447 -16.657 1.00 11.24 C ATOM 946 CD1 LEU A 176 22.751 4.948 -16.109 1.00 52.02 C ATOM 947 CD2 LEU A 176 23.853 6.519 -17.713 1.00 4.21 C ATOM 0 H LEU A 176 24.381 5.196 -13.265 1.00 41.34 H new ATOM 0 HA LEU A 176 25.828 4.026 -15.362 1.00 54.11 H new ATOM 0 HB2 LEU A 176 24.315 6.485 -14.801 1.00 62.23 H new ATOM 0 HB3 LEU A 176 25.623 6.743 -15.939 1.00 62.23 H new ATOM 0 HG LEU A 176 24.595 4.608 -17.124 1.00 11.24 H new ATOM 0 HD11 LEU A 176 22.139 4.569 -16.927 1.00 52.02 H new ATOM 0 HD12 LEU A 176 22.931 4.149 -15.390 1.00 52.02 H new ATOM 0 HD13 LEU A 176 22.230 5.768 -15.616 1.00 52.02 H new ATOM 0 HD21 LEU A 176 23.226 6.118 -18.510 1.00 4.21 H new ATOM 0 HD22 LEU A 176 23.358 7.378 -17.259 1.00 4.21 H new ATOM 0 HD23 LEU A 176 24.812 6.830 -18.127 1.00 4.21 H new ATOM 959 N GLU A 177 27.388 6.591 -13.957 1.00 1.25 N ATOM 960 CA GLU A 177 28.704 7.182 -13.744 1.00 11.54 C ATOM 961 C GLU A 177 28.891 7.582 -12.283 1.00 20.23 C ATOM 962 O GLU A 177 29.292 8.707 -11.981 1.00 74.42 O ATOM 963 CB GLU A 177 28.891 8.404 -14.646 1.00 15.34 C ATOM 964 CG GLU A 177 29.297 8.055 -16.067 1.00 65.12 C ATOM 965 CD GLU A 177 28.811 9.073 -17.080 1.00 71.12 C ATOM 966 OE1 GLU A 177 27.580 9.199 -17.250 1.00 32.35 O ATOM 967 OE2 GLU A 177 29.660 9.743 -17.704 1.00 1.25 O ATOM 0 H GLU A 177 26.617 7.116 -13.544 1.00 1.25 H new ATOM 0 HA GLU A 177 29.455 6.434 -13.997 1.00 11.54 H new ATOM 0 HB2 GLU A 177 27.961 8.972 -14.672 1.00 15.34 H new ATOM 0 HB3 GLU A 177 29.649 9.054 -14.210 1.00 15.34 H new ATOM 0 HG2 GLU A 177 30.383 7.983 -16.123 1.00 65.12 H new ATOM 0 HG3 GLU A 177 28.898 7.074 -16.324 1.00 65.12 H new ATOM 974 N HIS A 178 28.598 6.652 -11.379 1.00 14.10 N ATOM 975 CA HIS A 178 28.733 6.906 -9.949 1.00 42.21 C ATOM 976 C HIS A 178 29.359 5.708 -9.241 1.00 42.24 C ATOM 977 O HIS A 178 28.659 4.904 -8.627 1.00 4.12 O ATOM 978 CB HIS A 178 27.369 7.221 -9.334 1.00 43.11 C ATOM 979 CG HIS A 178 26.743 8.470 -9.873 1.00 43.41 C ATOM 980 ND1 HIS A 178 25.402 8.569 -10.179 1.00 64.55 N ATOM 981 CD2 HIS A 178 27.282 9.679 -10.159 1.00 23.32 C ATOM 982 CE1 HIS A 178 25.144 9.783 -10.632 1.00 21.52 C ATOM 983 NE2 HIS A 178 26.268 10.476 -10.629 1.00 1.22 N ATOM 0 H HIS A 178 28.266 5.716 -11.612 1.00 14.10 H new ATOM 0 HA HIS A 178 29.389 7.767 -9.819 1.00 42.21 H new ATOM 0 HB2 HIS A 178 26.697 6.382 -9.512 1.00 43.11 H new ATOM 0 HB3 HIS A 178 27.480 7.317 -8.254 1.00 43.11 H new ATOM 0 HD2 HIS A 178 28.317 9.963 -10.040 1.00 23.32 H new ATOM 0 HE1 HIS A 178 24.178 10.147 -10.951 1.00 21.52 H new ATOM 0 HE2 HIS A 178 26.367 11.446 -10.928 1.00 1.22 H new ATOM 990 N GLU A 179 30.681 5.596 -9.334 1.00 13.42 N ATOM 991 CA GLU A 179 31.399 4.495 -8.703 1.00 44.34 C ATOM 992 C GLU A 179 31.591 4.754 -7.212 1.00 20.03 C ATOM 993 O GLU A 179 31.623 3.822 -6.408 1.00 62.33 O ATOM 994 CB GLU A 179 32.759 4.293 -9.376 1.00 32.11 C ATOM 995 CG GLU A 179 33.602 5.555 -9.436 1.00 41.41 C ATOM 996 CD GLU A 179 35.011 5.341 -8.919 1.00 22.15 C ATOM 997 OE1 GLU A 179 35.207 5.410 -7.687 1.00 42.40 O ATOM 998 OE2 GLU A 179 35.917 5.104 -9.744 1.00 45.02 O ATOM 0 H GLU A 179 31.275 6.253 -9.839 1.00 13.42 H new ATOM 0 HA GLU A 179 30.803 3.590 -8.823 1.00 44.34 H new ATOM 0 HB2 GLU A 179 33.311 3.523 -8.837 1.00 32.11 H new ATOM 0 HB3 GLU A 179 32.602 3.923 -10.389 1.00 32.11 H new ATOM 0 HG2 GLU A 179 33.647 5.909 -10.466 1.00 41.41 H new ATOM 0 HG3 GLU A 179 33.119 6.338 -8.851 1.00 41.41 H new ATOM 1005 N ASP A 180 31.718 6.026 -6.850 1.00 24.34 N ATOM 1006 CA ASP A 180 31.907 6.408 -5.455 1.00 54.40 C ATOM 1007 C ASP A 180 30.629 6.182 -4.652 1.00 42.24 C ATOM 1008 O ASP A 180 30.666 6.079 -3.427 1.00 34.12 O ATOM 1009 CB ASP A 180 32.331 7.875 -5.359 1.00 61.41 C ATOM 1010 CG ASP A 180 32.931 8.217 -4.010 1.00 21.45 C ATOM 1011 OD1 ASP A 180 34.038 7.722 -3.711 1.00 1.44 O ATOM 1012 OD2 ASP A 180 32.293 8.978 -3.252 1.00 23.42 O ATOM 0 H ASP A 180 31.694 6.810 -7.503 1.00 24.34 H new ATOM 0 HA ASP A 180 32.694 5.782 -5.036 1.00 54.40 H new ATOM 0 HB2 ASP A 180 33.057 8.092 -6.142 1.00 61.41 H new ATOM 0 HB3 ASP A 180 31.466 8.513 -5.541 1.00 61.41 H new ATOM 1017 N GLU A 181 29.502 6.108 -5.353 1.00 34.54 N ATOM 1018 CA GLU A 181 28.213 5.896 -4.704 1.00 30.31 C ATOM 1019 C GLU A 181 27.414 4.811 -5.422 1.00 3.44 C ATOM 1020 O GLU A 181 27.039 4.967 -6.584 1.00 23.30 O ATOM 1021 CB GLU A 181 27.412 7.199 -4.674 1.00 32.13 C ATOM 1022 CG GLU A 181 26.859 7.542 -3.300 1.00 63.04 C ATOM 1023 CD GLU A 181 25.729 6.623 -2.880 1.00 73.02 C ATOM 1024 OE1 GLU A 181 24.937 6.218 -3.757 1.00 40.13 O ATOM 1025 OE2 GLU A 181 25.635 6.309 -1.675 1.00 62.04 O ATOM 0 H GLU A 181 29.455 6.192 -6.368 1.00 34.54 H new ATOM 0 HA GLU A 181 28.399 5.569 -3.681 1.00 30.31 H new ATOM 0 HB2 GLU A 181 28.049 8.015 -5.014 1.00 32.13 H new ATOM 0 HB3 GLU A 181 26.586 7.124 -5.381 1.00 32.13 H new ATOM 0 HG2 GLU A 181 27.662 7.484 -2.565 1.00 63.04 H new ATOM 0 HG3 GLU A 181 26.503 8.572 -3.303 1.00 63.04 H new ATOM 1032 N LYS A 182 27.158 3.712 -4.721 1.00 12.13 N ATOM 1033 CA LYS A 182 26.404 2.601 -5.288 1.00 74.23 C ATOM 1034 C LYS A 182 24.904 2.815 -5.112 1.00 33.23 C ATOM 1035 O LYS A 182 24.475 3.752 -4.438 1.00 42.02 O ATOM 1036 CB LYS A 182 26.823 1.284 -4.630 1.00 55.22 C ATOM 1037 CG LYS A 182 27.441 0.290 -5.598 1.00 11.20 C ATOM 1038 CD LYS A 182 27.608 -1.079 -4.960 1.00 44.31 C ATOM 1039 CE LYS A 182 27.490 -2.192 -5.990 1.00 14.30 C ATOM 1040 NZ LYS A 182 28.811 -2.806 -6.298 1.00 51.40 N ATOM 0 H LYS A 182 27.462 3.567 -3.758 1.00 12.13 H new ATOM 0 HA LYS A 182 26.624 2.553 -6.355 1.00 74.23 H new ATOM 0 HB2 LYS A 182 27.538 1.496 -3.835 1.00 55.22 H new ATOM 0 HB3 LYS A 182 25.951 0.828 -4.162 1.00 55.22 H new ATOM 0 HG2 LYS A 182 26.813 0.205 -6.485 1.00 11.20 H new ATOM 0 HG3 LYS A 182 28.412 0.659 -5.930 1.00 11.20 H new ATOM 0 HD2 LYS A 182 28.580 -1.137 -4.470 1.00 44.31 H new ATOM 0 HD3 LYS A 182 26.852 -1.216 -4.187 1.00 44.31 H new ATOM 0 HE2 LYS A 182 26.811 -2.959 -5.619 1.00 14.30 H new ATOM 0 HE3 LYS A 182 27.052 -1.794 -6.906 1.00 14.30 H new ATOM 0 HZ1 LYS A 182 28.729 -3.397 -7.149 1.00 51.40 H new ATOM 0 HZ2 LYS A 182 29.512 -2.056 -6.464 1.00 51.40 H new ATOM 0 HZ3 LYS A 182 29.116 -3.394 -5.496 1.00 51.40 H new ATOM 1054 N VAL A 183 24.110 1.939 -5.720 1.00 12.10 N ATOM 1055 CA VAL A 183 22.658 2.031 -5.628 1.00 34.04 C ATOM 1056 C VAL A 183 22.154 1.460 -4.307 1.00 12.53 C ATOM 1057 O VAL A 183 22.255 0.260 -4.059 1.00 25.15 O ATOM 1058 CB VAL A 183 21.973 1.287 -6.790 1.00 2.22 C ATOM 1059 CG1 VAL A 183 22.189 2.029 -8.100 1.00 3.21 C ATOM 1060 CG2 VAL A 183 22.489 -0.141 -6.885 1.00 13.10 C ATOM 0 H VAL A 183 24.448 1.158 -6.282 1.00 12.10 H new ATOM 0 HA VAL A 183 22.404 3.090 -5.684 1.00 34.04 H new ATOM 0 HB VAL A 183 20.901 1.250 -6.594 1.00 2.22 H new ATOM 0 HG11 VAL A 183 21.698 1.489 -8.909 1.00 3.21 H new ATOM 0 HG12 VAL A 183 21.767 3.031 -8.024 1.00 3.21 H new ATOM 0 HG13 VAL A 183 23.257 2.100 -8.306 1.00 3.21 H new ATOM 0 HG21 VAL A 183 21.995 -0.652 -7.711 1.00 13.10 H new ATOM 0 HG22 VAL A 183 23.565 -0.128 -7.058 1.00 13.10 H new ATOM 0 HG23 VAL A 183 22.277 -0.667 -5.954 1.00 13.10 H new ATOM 1070 N ASN A 184 21.609 2.330 -3.462 1.00 44.40 N ATOM 1071 CA ASN A 184 21.089 1.913 -2.165 1.00 50.11 C ATOM 1072 C ASN A 184 19.776 2.624 -1.851 1.00 42.34 C ATOM 1073 O ASN A 184 19.364 2.706 -0.695 1.00 32.33 O ATOM 1074 CB ASN A 184 22.113 2.200 -1.065 1.00 50.11 C ATOM 1075 CG ASN A 184 22.231 1.059 -0.073 1.00 14.53 C ATOM 1076 OD1 ASN A 184 23.077 0.178 -0.221 1.00 73.31 O ATOM 1077 ND2 ASN A 184 21.379 1.072 0.946 1.00 22.13 N ATOM 0 H ASN A 184 21.516 3.328 -3.653 1.00 44.40 H new ATOM 0 HA ASN A 184 20.900 0.840 -2.205 1.00 50.11 H new ATOM 0 HB2 ASN A 184 23.087 2.386 -1.518 1.00 50.11 H new ATOM 0 HB3 ASN A 184 21.829 3.110 -0.536 1.00 50.11 H new ATOM 0 HD21 ASN A 184 21.410 0.331 1.646 1.00 22.13 H new ATOM 0 HD22 ASN A 184 20.694 1.823 1.028 1.00 22.13 H new ATOM 1084 N MET A 185 19.124 3.137 -2.890 1.00 23.11 N ATOM 1085 CA MET A 185 17.857 3.840 -2.725 1.00 61.42 C ATOM 1086 C MET A 185 16.814 3.318 -3.709 1.00 45.20 C ATOM 1087 O MET A 185 17.119 2.497 -4.574 1.00 24.30 O ATOM 1088 CB MET A 185 18.054 5.344 -2.922 1.00 62.24 C ATOM 1089 CG MET A 185 18.531 6.063 -1.671 1.00 51.52 C ATOM 1090 SD MET A 185 17.857 7.730 -1.529 1.00 43.04 S ATOM 1091 CE MET A 185 18.349 8.153 0.140 1.00 5.10 C ATOM 0 H MET A 185 19.452 3.079 -3.854 1.00 23.11 H new ATOM 0 HA MET A 185 17.498 3.658 -1.712 1.00 61.42 H new ATOM 0 HB2 MET A 185 18.776 5.506 -3.722 1.00 62.24 H new ATOM 0 HB3 MET A 185 17.113 5.786 -3.248 1.00 62.24 H new ATOM 0 HG2 MET A 185 18.246 5.484 -0.793 1.00 51.52 H new ATOM 0 HG3 MET A 185 19.620 6.115 -1.679 1.00 51.52 H new ATOM 0 HE1 MET A 185 18.004 9.159 0.377 1.00 5.10 H new ATOM 0 HE2 MET A 185 17.908 7.444 0.840 1.00 5.10 H new ATOM 0 HE3 MET A 185 19.435 8.114 0.220 1.00 5.10 H new ATOM 1101 N TYR A 186 15.584 3.800 -3.571 1.00 4.01 N ATOM 1102 CA TYR A 186 14.496 3.380 -4.446 1.00 4.20 C ATOM 1103 C TYR A 186 13.543 4.538 -4.723 1.00 54.24 C ATOM 1104 O TYR A 186 13.216 5.285 -3.802 1.00 41.02 O ATOM 1105 CB TYR A 186 13.731 2.213 -3.819 1.00 41.43 C ATOM 1106 CG TYR A 186 12.604 1.694 -4.684 1.00 4.33 C ATOM 1107 CD1 TYR A 186 11.330 2.241 -4.599 1.00 75.42 C ATOM 1108 CD2 TYR A 186 12.814 0.657 -5.584 1.00 41.10 C ATOM 1109 CE1 TYR A 186 10.297 1.769 -5.386 1.00 52.24 C ATOM 1110 CE2 TYR A 186 11.788 0.180 -6.376 1.00 53.42 C ATOM 1111 CZ TYR A 186 10.531 0.739 -6.274 1.00 10.44 C ATOM 1112 OH TYR A 186 9.506 0.266 -7.060 1.00 14.30 O ATOM 0 H TYR A 186 15.315 4.482 -2.862 1.00 4.01 H new ATOM 0 HA TYR A 186 14.929 3.055 -5.392 1.00 4.20 H new ATOM 0 HB2 TYR A 186 14.428 1.399 -3.617 1.00 41.43 H new ATOM 0 HB3 TYR A 186 13.324 2.530 -2.859 1.00 41.43 H new ATOM 0 HD1 TYR A 186 11.144 3.048 -3.906 1.00 75.42 H new ATOM 0 HD2 TYR A 186 13.797 0.216 -5.666 1.00 41.10 H new ATOM 0 HE1 TYR A 186 9.312 2.204 -5.307 1.00 52.24 H new ATOM 0 HE2 TYR A 186 11.969 -0.626 -7.071 1.00 53.42 H new ATOM 0 HH TYR A 186 9.838 -0.458 -7.630 1.00 14.30 H new ATOM 1122 N CYS A 187 13.121 4.660 -5.974 1.00 30.04 N ATOM 1123 CA CYS A 187 12.209 5.725 -6.356 1.00 5.15 C ATOM 1124 C CYS A 187 10.816 5.121 -6.543 1.00 3.14 C ATOM 1125 O CYS A 187 10.627 4.115 -7.226 1.00 70.03 O ATOM 1126 CB CYS A 187 12.688 6.456 -7.612 1.00 21.13 C ATOM 1127 SG CYS A 187 11.572 7.857 -7.984 1.00 54.31 S ATOM 0 H CYS A 187 13.394 4.039 -6.736 1.00 30.04 H new ATOM 0 HA CYS A 187 12.174 6.478 -5.568 1.00 5.15 H new ATOM 0 HB2 CYS A 187 13.705 6.819 -7.466 1.00 21.13 H new ATOM 0 HB3 CYS A 187 12.714 5.767 -8.456 1.00 21.13 H new ATOM 0 HG CYS A 187 11.230 8.445 -6.876 1.00 54.31 H new ATOM 1132 N VAL A 188 9.837 5.763 -5.914 1.00 54.21 N ATOM 1133 CA VAL A 188 8.452 5.313 -5.995 1.00 23.33 C ATOM 1134 C VAL A 188 7.803 5.763 -7.299 1.00 21.53 C ATOM 1135 O VAL A 188 7.233 4.955 -8.033 1.00 33.21 O ATOM 1136 CB VAL A 188 7.620 5.841 -4.811 1.00 23.20 C ATOM 1137 CG1 VAL A 188 6.174 5.384 -4.929 1.00 1.42 C ATOM 1138 CG2 VAL A 188 8.225 5.387 -3.491 1.00 2.41 C ATOM 0 H VAL A 188 9.977 6.596 -5.343 1.00 54.21 H new ATOM 0 HA VAL A 188 8.471 4.224 -5.959 1.00 23.33 H new ATOM 0 HB VAL A 188 7.635 6.931 -4.836 1.00 23.20 H new ATOM 0 HG11 VAL A 188 5.601 5.766 -4.084 1.00 1.42 H new ATOM 0 HG12 VAL A 188 5.747 5.763 -5.858 1.00 1.42 H new ATOM 0 HG13 VAL A 188 6.136 4.295 -4.930 1.00 1.42 H new ATOM 0 HG21 VAL A 188 7.625 5.769 -2.665 1.00 2.41 H new ATOM 0 HG22 VAL A 188 8.242 4.298 -3.454 1.00 2.41 H new ATOM 0 HG23 VAL A 188 9.243 5.769 -3.407 1.00 2.41 H new ATOM 1148 N THR A 189 7.894 7.058 -7.583 1.00 13.25 N ATOM 1149 CA THR A 189 7.315 7.617 -8.798 1.00 31.31 C ATOM 1150 C THR A 189 7.865 6.923 -10.038 1.00 64.54 C ATOM 1151 O THR A 189 7.228 6.916 -11.092 1.00 3.02 O ATOM 1152 CB THR A 189 7.587 9.129 -8.906 1.00 63.13 C ATOM 1153 OG1 THR A 189 7.107 9.798 -7.735 1.00 42.41 O ATOM 1154 CG2 THR A 189 6.917 9.712 -10.141 1.00 12.41 C ATOM 0 H THR A 189 8.364 7.740 -6.987 1.00 13.25 H new ATOM 0 HA THR A 189 6.239 7.453 -8.740 1.00 31.31 H new ATOM 0 HB THR A 189 8.663 9.277 -8.992 1.00 63.13 H new ATOM 0 HG1 THR A 189 7.285 10.759 -7.811 1.00 42.41 H new ATOM 0 HG21 THR A 189 7.123 10.781 -10.196 1.00 12.41 H new ATOM 0 HG22 THR A 189 7.307 9.221 -11.033 1.00 12.41 H new ATOM 0 HG23 THR A 189 5.840 9.553 -10.080 1.00 12.41 H new ATOM 1162 N ASP A 190 9.051 6.339 -9.907 1.00 23.34 N ATOM 1163 CA ASP A 190 9.687 5.639 -11.017 1.00 51.43 C ATOM 1164 C ASP A 190 9.549 4.128 -10.858 1.00 42.54 C ATOM 1165 O ASP A 190 9.617 3.383 -11.836 1.00 30.24 O ATOM 1166 CB ASP A 190 11.165 6.022 -11.110 1.00 52.41 C ATOM 1167 CG ASP A 190 11.371 7.387 -11.738 1.00 12.15 C ATOM 1168 OD1 ASP A 190 10.389 7.953 -12.261 1.00 12.41 O ATOM 1169 OD2 ASP A 190 12.514 7.888 -11.706 1.00 4.51 O ATOM 0 H ASP A 190 9.592 6.337 -9.042 1.00 23.34 H new ATOM 0 HA ASP A 190 9.184 5.936 -11.937 1.00 51.43 H new ATOM 0 HB2 ASP A 190 11.603 6.015 -10.112 1.00 52.41 H new ATOM 0 HB3 ASP A 190 11.696 5.272 -11.696 1.00 52.41 H new ATOM 1174 N ASP A 191 9.357 3.684 -9.621 1.00 51.14 N ATOM 1175 CA ASP A 191 9.210 2.262 -9.334 1.00 72.00 C ATOM 1176 C ASP A 191 10.486 1.503 -9.681 1.00 65.52 C ATOM 1177 O ASP A 191 10.442 0.323 -10.030 1.00 3.13 O ATOM 1178 CB ASP A 191 8.029 1.682 -10.114 1.00 34.14 C ATOM 1179 CG ASP A 191 7.487 0.413 -9.485 1.00 1.12 C ATOM 1180 OD1 ASP A 191 8.031 -0.673 -9.776 1.00 4.23 O ATOM 1181 OD2 ASP A 191 6.519 0.506 -8.701 1.00 44.12 O ATOM 0 H ASP A 191 9.300 4.288 -8.801 1.00 51.14 H new ATOM 0 HA ASP A 191 9.021 2.150 -8.266 1.00 72.00 H new ATOM 0 HB2 ASP A 191 7.234 2.425 -10.169 1.00 34.14 H new ATOM 0 HB3 ASP A 191 8.341 1.472 -11.137 1.00 34.14 H new ATOM 1186 N GLN A 192 11.621 2.187 -9.584 1.00 43.51 N ATOM 1187 CA GLN A 192 12.910 1.577 -9.890 1.00 12.32 C ATOM 1188 C GLN A 192 13.916 1.843 -8.775 1.00 43.43 C ATOM 1189 O GLN A 192 13.617 2.547 -7.809 1.00 62.51 O ATOM 1190 CB GLN A 192 13.449 2.111 -11.218 1.00 54.51 C ATOM 1191 CG GLN A 192 13.513 1.061 -12.315 1.00 53.11 C ATOM 1192 CD GLN A 192 14.912 0.881 -12.870 1.00 1.14 C ATOM 1193 OE1 GLN A 192 15.899 0.990 -12.142 1.00 45.41 O ATOM 1194 NE2 GLN A 192 15.005 0.603 -14.165 1.00 13.02 N ATOM 0 H GLN A 192 11.675 3.164 -9.296 1.00 43.51 H new ATOM 0 HA GLN A 192 12.763 0.500 -9.973 1.00 12.32 H new ATOM 0 HB2 GLN A 192 12.818 2.935 -11.552 1.00 54.51 H new ATOM 0 HB3 GLN A 192 14.447 2.518 -11.058 1.00 54.51 H new ATOM 0 HG2 GLN A 192 13.157 0.109 -11.922 1.00 53.11 H new ATOM 0 HG3 GLN A 192 12.839 1.344 -13.124 1.00 53.11 H new ATOM 0 HE21 GLN A 192 14.160 0.522 -14.731 1.00 13.02 H new ATOM 0 HE22 GLN A 192 15.921 0.471 -14.594 1.00 13.02 H new ATOM 1203 N LEU A 193 15.110 1.277 -8.915 1.00 51.34 N ATOM 1204 CA LEU A 193 16.162 1.453 -7.920 1.00 14.12 C ATOM 1205 C LEU A 193 17.170 2.504 -8.373 1.00 0.02 C ATOM 1206 O LEU A 193 17.597 2.512 -9.528 1.00 33.41 O ATOM 1207 CB LEU A 193 16.874 0.124 -7.662 1.00 11.25 C ATOM 1208 CG LEU A 193 16.139 -0.867 -6.758 1.00 2.52 C ATOM 1209 CD1 LEU A 193 16.473 -2.297 -7.152 1.00 31.03 C ATOM 1210 CD2 LEU A 193 16.490 -0.618 -5.298 1.00 14.10 C ATOM 0 H LEU A 193 15.374 0.692 -9.708 1.00 51.34 H new ATOM 0 HA LEU A 193 15.699 1.796 -6.995 1.00 14.12 H new ATOM 0 HB2 LEU A 193 17.059 -0.359 -8.622 1.00 11.25 H new ATOM 0 HB3 LEU A 193 17.847 0.336 -7.219 1.00 11.25 H new ATOM 0 HG LEU A 193 15.067 -0.718 -6.884 1.00 2.52 H new ATOM 0 HD11 LEU A 193 15.941 -2.988 -6.498 1.00 31.03 H new ATOM 0 HD12 LEU A 193 16.171 -2.470 -8.185 1.00 31.03 H new ATOM 0 HD13 LEU A 193 17.546 -2.460 -7.056 1.00 31.03 H new ATOM 0 HD21 LEU A 193 15.958 -1.332 -4.669 1.00 14.10 H new ATOM 0 HD22 LEU A 193 17.564 -0.739 -5.156 1.00 14.10 H new ATOM 0 HD23 LEU A 193 16.200 0.396 -5.022 1.00 14.10 H new ATOM 1222 N ILE A 194 17.548 3.388 -7.455 1.00 62.25 N ATOM 1223 CA ILE A 194 18.509 4.441 -7.760 1.00 60.31 C ATOM 1224 C ILE A 194 19.523 4.602 -6.633 1.00 1.42 C ATOM 1225 O ILE A 194 19.429 3.894 -5.631 1.00 52.44 O ATOM 1226 CB ILE A 194 17.808 5.790 -8.002 1.00 15.20 C ATOM 1227 CG1 ILE A 194 17.216 6.324 -6.696 1.00 21.34 C ATOM 1228 CG2 ILE A 194 16.723 5.642 -9.059 1.00 23.31 C ATOM 1229 CD1 ILE A 194 16.493 7.643 -6.854 1.00 74.31 C ATOM 0 H ILE A 194 17.204 3.396 -6.495 1.00 62.25 H new ATOM 0 HA ILE A 194 19.027 4.142 -8.671 1.00 60.31 H new ATOM 0 HB ILE A 194 18.546 6.505 -8.364 1.00 15.20 H new ATOM 0 HG12 ILE A 194 16.523 5.586 -6.292 1.00 21.34 H new ATOM 0 HG13 ILE A 194 18.016 6.443 -5.966 1.00 21.34 H new ATOM 0 HG21 ILE A 194 16.237 6.604 -9.219 1.00 23.31 H new ATOM 0 HG22 ILE A 194 17.169 5.302 -9.993 1.00 23.31 H new ATOM 0 HG23 ILE A 194 15.985 4.914 -8.723 1.00 23.31 H new ATOM 0 HD11 ILE A 194 16.100 7.960 -5.888 1.00 74.31 H new ATOM 0 HD12 ILE A 194 17.187 8.396 -7.228 1.00 74.31 H new ATOM 0 HD13 ILE A 194 15.671 7.525 -7.560 1.00 74.31 H new ATOM 1241 N CYS A 195 20.460 5.522 -6.817 1.00 34.55 N ATOM 1242 CA CYS A 195 21.478 5.765 -5.809 1.00 34.53 C ATOM 1243 C CYS A 195 21.202 7.125 -5.166 1.00 43.51 C ATOM 1244 O CYS A 195 20.697 8.054 -5.796 1.00 32.10 O ATOM 1245 CB CYS A 195 22.887 5.686 -6.398 1.00 43.43 C ATOM 1246 SG CYS A 195 23.276 7.232 -7.299 1.00 34.53 S ATOM 0 H CYS A 195 20.535 6.107 -7.649 1.00 34.55 H new ATOM 0 HA CYS A 195 21.431 4.988 -5.046 1.00 34.53 H new ATOM 0 HB2 CYS A 195 23.614 5.526 -5.602 1.00 43.43 H new ATOM 0 HB3 CYS A 195 22.961 4.833 -7.073 1.00 43.43 H new ATOM 0 HG CYS A 195 22.345 7.470 -8.175 1.00 34.53 H new ATOM 1251 N ALA A 196 21.549 7.223 -3.887 1.00 4.20 N ATOM 1252 CA ALA A 196 21.353 8.456 -3.134 1.00 62.22 C ATOM 1253 C ALA A 196 22.025 9.636 -3.828 1.00 62.23 C ATOM 1254 O ALA A 196 21.568 10.775 -3.721 1.00 62.42 O ATOM 1255 CB ALA A 196 21.887 8.300 -1.718 1.00 42.11 C ATOM 0 H ALA A 196 21.967 6.463 -3.350 1.00 4.20 H new ATOM 0 HA ALA A 196 20.283 8.658 -3.087 1.00 62.22 H new ATOM 0 HB1 ALA A 196 21.734 9.228 -1.167 1.00 42.11 H new ATOM 0 HB2 ALA A 196 21.358 7.489 -1.217 1.00 42.11 H new ATOM 0 HB3 ALA A 196 22.952 8.071 -1.754 1.00 42.11 H new ATOM 1261 N LEU A 197 23.112 9.357 -4.539 1.00 3.01 N ATOM 1262 CA LEU A 197 23.848 10.396 -5.251 1.00 4.24 C ATOM 1263 C LEU A 197 23.000 10.997 -6.367 1.00 11.33 C ATOM 1264 O LEU A 197 23.271 12.119 -6.792 1.00 4.12 O ATOM 1265 CB LEU A 197 25.144 9.825 -5.830 1.00 53.24 C ATOM 1266 CG LEU A 197 26.358 10.753 -5.801 1.00 45.45 C ATOM 1267 CD1 LEU A 197 26.886 10.898 -4.382 1.00 51.35 C ATOM 1268 CD2 LEU A 197 27.449 10.234 -6.727 1.00 73.03 C ATOM 0 H LEU A 197 23.503 8.420 -4.638 1.00 3.01 H new ATOM 0 HA LEU A 197 24.092 11.186 -4.540 1.00 4.24 H new ATOM 0 HB2 LEU A 197 25.393 8.916 -5.283 1.00 53.24 H new ATOM 0 HB3 LEU A 197 24.959 9.534 -6.864 1.00 53.24 H new ATOM 0 HG LEU A 197 26.047 11.736 -6.153 1.00 45.45 H new ATOM 0 HD11 LEU A 197 27.750 11.562 -4.381 1.00 51.35 H new ATOM 0 HD12 LEU A 197 26.107 11.316 -3.745 1.00 51.35 H new ATOM 0 HD13 LEU A 197 27.180 9.920 -4.001 1.00 51.35 H new ATOM 0 HD21 LEU A 197 28.305 10.907 -6.693 1.00 73.03 H new ATOM 0 HD22 LEU A 197 27.757 9.239 -6.405 1.00 73.03 H new ATOM 0 HD23 LEU A 197 27.067 10.183 -7.747 1.00 73.03 H new ATOM 1280 N CYS A 198 22.001 10.248 -6.810 1.00 43.02 N ATOM 1281 CA CYS A 198 21.126 10.719 -7.870 1.00 15.13 C ATOM 1282 C CYS A 198 20.087 11.658 -7.253 1.00 4.43 C ATOM 1283 O CYS A 198 19.726 12.693 -7.814 1.00 63.02 O ATOM 1284 CB CYS A 198 20.470 9.558 -8.620 1.00 61.10 C ATOM 1285 SG CYS A 198 21.605 8.926 -9.909 1.00 32.40 S ATOM 0 H CYS A 198 21.778 9.318 -6.454 1.00 43.02 H new ATOM 0 HA CYS A 198 21.710 11.262 -8.613 1.00 15.13 H new ATOM 0 HB2 CYS A 198 20.218 8.759 -7.922 1.00 61.10 H new ATOM 0 HB3 CYS A 198 19.537 9.889 -9.076 1.00 61.10 H new ATOM 0 HG CYS A 198 21.040 7.939 -10.539 1.00 32.40 H new ATOM 1290 N LYS A 199 19.611 11.272 -6.074 1.00 0.41 N ATOM 1291 CA LYS A 199 18.616 12.059 -5.355 1.00 51.33 C ATOM 1292 C LYS A 199 19.233 13.338 -4.798 1.00 54.41 C ATOM 1293 O LYS A 199 18.535 14.327 -4.569 1.00 0.41 O ATOM 1294 CB LYS A 199 18.009 11.236 -4.217 1.00 71.54 C ATOM 1295 CG LYS A 199 16.659 11.749 -3.748 1.00 74.11 C ATOM 1296 CD LYS A 199 16.422 11.435 -2.280 1.00 43.42 C ATOM 1297 CE LYS A 199 17.075 12.471 -1.377 1.00 62.41 C ATOM 1298 NZ LYS A 199 16.789 12.211 0.061 1.00 4.12 N ATOM 0 H LYS A 199 19.899 10.418 -5.596 1.00 0.41 H new ATOM 0 HA LYS A 199 17.829 12.332 -6.058 1.00 51.33 H new ATOM 0 HB2 LYS A 199 17.901 10.202 -4.545 1.00 71.54 H new ATOM 0 HB3 LYS A 199 18.700 11.233 -3.374 1.00 71.54 H new ATOM 0 HG2 LYS A 199 16.604 12.826 -3.904 1.00 74.11 H new ATOM 0 HG3 LYS A 199 15.869 11.299 -4.349 1.00 74.11 H new ATOM 0 HD2 LYS A 199 15.351 11.402 -2.082 1.00 43.42 H new ATOM 0 HD3 LYS A 199 16.820 10.447 -2.049 1.00 43.42 H new ATOM 0 HE2 LYS A 199 18.153 12.467 -1.540 1.00 62.41 H new ATOM 0 HE3 LYS A 199 16.716 13.465 -1.645 1.00 62.41 H new ATOM 0 HZ1 LYS A 199 17.251 12.938 0.644 1.00 4.12 H new ATOM 0 HZ2 LYS A 199 15.762 12.240 0.221 1.00 4.12 H new ATOM 0 HZ3 LYS A 199 17.154 11.273 0.324 1.00 4.12 H new ATOM 1312 N LEU A 200 20.543 13.313 -4.584 1.00 23.04 N ATOM 1313 CA LEU A 200 21.255 14.472 -4.055 1.00 34.44 C ATOM 1314 C LEU A 200 21.480 15.516 -5.143 1.00 71.13 C ATOM 1315 O LEU A 200 21.146 16.688 -4.972 1.00 50.42 O ATOM 1316 CB LEU A 200 22.596 14.042 -3.458 1.00 43.52 C ATOM 1317 CG LEU A 200 23.335 15.100 -2.638 1.00 44.52 C ATOM 1318 CD1 LEU A 200 23.307 14.746 -1.160 1.00 22.34 C ATOM 1319 CD2 LEU A 200 24.769 15.248 -3.126 1.00 23.51 C ATOM 0 H LEU A 200 21.135 12.503 -4.768 1.00 23.04 H new ATOM 0 HA LEU A 200 20.642 14.918 -3.272 1.00 34.44 H new ATOM 0 HB2 LEU A 200 22.426 13.172 -2.823 1.00 43.52 H new ATOM 0 HB3 LEU A 200 23.247 13.721 -4.271 1.00 43.52 H new ATOM 0 HG LEU A 200 22.827 16.055 -2.771 1.00 44.52 H new ATOM 0 HD11 LEU A 200 23.838 15.510 -0.593 1.00 22.34 H new ATOM 0 HD12 LEU A 200 22.273 14.693 -0.818 1.00 22.34 H new ATOM 0 HD13 LEU A 200 23.790 13.781 -1.008 1.00 22.34 H new ATOM 0 HD21 LEU A 200 25.280 16.005 -2.531 1.00 23.51 H new ATOM 0 HD22 LEU A 200 25.288 14.295 -3.024 1.00 23.51 H new ATOM 0 HD23 LEU A 200 24.768 15.550 -4.173 1.00 23.51 H new ATOM 1331 N VAL A 201 22.047 15.082 -6.264 1.00 72.35 N ATOM 1332 CA VAL A 201 22.314 15.978 -7.383 1.00 53.10 C ATOM 1333 C VAL A 201 21.057 16.741 -7.788 1.00 4.03 C ATOM 1334 O VAL A 201 21.119 17.920 -8.134 1.00 71.23 O ATOM 1335 CB VAL A 201 22.849 15.207 -8.605 1.00 11.45 C ATOM 1336 CG1 VAL A 201 23.074 16.152 -9.775 1.00 63.03 C ATOM 1337 CG2 VAL A 201 24.131 14.470 -8.249 1.00 2.31 C ATOM 0 H VAL A 201 22.330 14.115 -6.421 1.00 72.35 H new ATOM 0 HA VAL A 201 23.073 16.685 -7.048 1.00 53.10 H new ATOM 0 HB VAL A 201 22.104 14.469 -8.903 1.00 11.45 H new ATOM 0 HG11 VAL A 201 23.452 15.590 -10.629 1.00 63.03 H new ATOM 0 HG12 VAL A 201 22.132 16.630 -10.043 1.00 63.03 H new ATOM 0 HG13 VAL A 201 23.800 16.914 -9.492 1.00 63.03 H new ATOM 0 HG21 VAL A 201 24.495 13.931 -9.123 1.00 2.31 H new ATOM 0 HG22 VAL A 201 24.885 15.187 -7.925 1.00 2.31 H new ATOM 0 HG23 VAL A 201 23.933 13.763 -7.443 1.00 2.31 H new ATOM 1347 N GLY A 202 19.917 16.060 -7.741 1.00 34.53 N ATOM 1348 CA GLY A 202 18.661 16.689 -8.105 1.00 12.23 C ATOM 1349 C GLY A 202 17.825 15.825 -9.028 1.00 42.02 C ATOM 1350 O GLY A 202 16.633 16.071 -9.209 1.00 54.11 O ATOM 0 H GLY A 202 19.840 15.083 -7.457 1.00 34.53 H new ATOM 0 HA2 GLY A 202 18.092 16.906 -7.201 1.00 12.23 H new ATOM 0 HA3 GLY A 202 18.864 17.643 -8.591 1.00 12.23 H new ATOM 1354 N ARG A 203 18.452 14.811 -9.615 1.00 63.03 N ATOM 1355 CA ARG A 203 17.759 13.909 -10.528 1.00 2.44 C ATOM 1356 C ARG A 203 16.486 13.363 -9.889 1.00 32.33 C ATOM 1357 O ARG A 203 15.493 13.114 -10.573 1.00 72.31 O ATOM 1358 CB ARG A 203 18.677 12.754 -10.931 1.00 74.34 C ATOM 1359 CG ARG A 203 19.556 13.065 -12.132 1.00 32.14 C ATOM 1360 CD ARG A 203 20.548 11.945 -12.401 1.00 22.54 C ATOM 1361 NE ARG A 203 20.344 11.336 -13.712 1.00 61.33 N ATOM 1362 CZ ARG A 203 21.051 10.305 -14.162 1.00 43.23 C ATOM 1363 NH1 ARG A 203 22.003 9.771 -13.410 1.00 2.03 N ATOM 1364 NH2 ARG A 203 20.806 9.807 -15.367 1.00 64.53 N ATOM 0 H ARG A 203 19.439 14.593 -9.475 1.00 63.03 H new ATOM 0 HA ARG A 203 17.484 14.473 -11.419 1.00 2.44 H new ATOM 0 HB2 ARG A 203 19.312 12.493 -10.084 1.00 74.34 H new ATOM 0 HB3 ARG A 203 18.068 11.878 -11.154 1.00 74.34 H new ATOM 0 HG2 ARG A 203 18.931 13.218 -13.012 1.00 32.14 H new ATOM 0 HG3 ARG A 203 20.095 13.996 -11.958 1.00 32.14 H new ATOM 0 HD2 ARG A 203 21.563 12.337 -12.338 1.00 22.54 H new ATOM 0 HD3 ARG A 203 20.452 11.182 -11.628 1.00 22.54 H new ATOM 0 HE ARG A 203 19.619 11.723 -14.316 1.00 61.33 H new ATOM 0 HH11 ARG A 203 22.194 10.152 -12.483 1.00 2.03 H new ATOM 0 HH12 ARG A 203 22.544 8.980 -13.758 1.00 2.03 H new ATOM 0 HH21 ARG A 203 20.074 10.216 -15.949 1.00 64.53 H new ATOM 0 HH22 ARG A 203 21.349 9.016 -15.712 1.00 64.53 H new ATOM 1378 N HIS A 204 16.522 13.178 -8.573 1.00 24.41 N ATOM 1379 CA HIS A 204 15.371 12.660 -7.841 1.00 44.33 C ATOM 1380 C HIS A 204 15.118 13.478 -6.578 1.00 64.22 C ATOM 1381 O HIS A 204 14.720 12.937 -5.547 1.00 34.23 O ATOM 1382 CB HIS A 204 15.590 11.192 -7.477 1.00 21.40 C ATOM 1383 CG HIS A 204 15.828 10.309 -8.664 1.00 11.15 C ATOM 1384 ND1 HIS A 204 14.910 9.381 -9.107 1.00 72.11 N ATOM 1385 CD2 HIS A 204 16.887 10.218 -9.501 1.00 42.43 C ATOM 1386 CE1 HIS A 204 15.395 8.756 -10.165 1.00 52.13 C ATOM 1387 NE2 HIS A 204 16.593 9.246 -10.425 1.00 44.14 N ATOM 0 H HIS A 204 17.336 13.379 -7.992 1.00 24.41 H new ATOM 0 HA HIS A 204 14.496 12.739 -8.486 1.00 44.33 H new ATOM 0 HB2 HIS A 204 16.443 11.117 -6.802 1.00 21.40 H new ATOM 0 HB3 HIS A 204 14.719 10.828 -6.932 1.00 21.40 H new ATOM 0 HD2 HIS A 204 17.795 10.801 -9.452 1.00 42.43 H new ATOM 0 HE1 HIS A 204 14.896 7.977 -10.722 1.00 52.13 H new ATOM 0 HE2 HIS A 204 17.201 8.950 -11.188 1.00 44.14 H new ATOM 1394 N ARG A 205 15.354 14.783 -6.667 1.00 33.23 N ATOM 1395 CA ARG A 205 15.153 15.674 -5.530 1.00 41.15 C ATOM 1396 C ARG A 205 13.667 15.851 -5.234 1.00 52.33 C ATOM 1397 O ARG A 205 13.223 15.667 -4.101 1.00 22.42 O ATOM 1398 CB ARG A 205 15.796 17.035 -5.803 1.00 54.33 C ATOM 1399 CG ARG A 205 16.978 17.343 -4.900 1.00 24.45 C ATOM 1400 CD ARG A 205 17.506 18.750 -5.131 1.00 55.10 C ATOM 1401 NE ARG A 205 18.556 19.104 -4.180 1.00 51.52 N ATOM 1402 CZ ARG A 205 18.323 19.412 -2.909 1.00 43.21 C ATOM 1403 NH1 ARG A 205 17.084 19.409 -2.439 1.00 33.42 N ATOM 1404 NH2 ARG A 205 19.332 19.724 -2.105 1.00 61.04 N ATOM 0 H ARG A 205 15.684 15.246 -7.514 1.00 33.23 H new ATOM 0 HA ARG A 205 15.628 15.224 -4.658 1.00 41.15 H new ATOM 0 HB2 ARG A 205 16.125 17.070 -6.842 1.00 54.33 H new ATOM 0 HB3 ARG A 205 15.043 17.814 -5.680 1.00 54.33 H new ATOM 0 HG2 ARG A 205 16.679 17.232 -3.858 1.00 24.45 H new ATOM 0 HG3 ARG A 205 17.774 16.621 -5.082 1.00 24.45 H new ATOM 0 HD2 ARG A 205 17.895 18.829 -6.146 1.00 55.10 H new ATOM 0 HD3 ARG A 205 16.686 19.463 -5.047 1.00 55.10 H new ATOM 0 HE ARG A 205 19.521 19.115 -4.510 1.00 51.52 H new ATOM 0 HH11 ARG A 205 16.306 19.170 -3.054 1.00 33.42 H new ATOM 0 HH12 ARG A 205 16.908 19.646 -1.463 1.00 33.42 H new ATOM 0 HH21 ARG A 205 20.287 19.727 -2.463 1.00 61.04 H new ATOM 0 HH22 ARG A 205 19.152 19.960 -1.129 1.00 61.04 H new ATOM 1418 N ASP A 206 12.903 16.211 -6.260 1.00 63.02 N ATOM 1419 CA ASP A 206 11.467 16.413 -6.110 1.00 72.14 C ATOM 1420 C ASP A 206 10.737 15.076 -6.018 1.00 10.52 C ATOM 1421 O ASP A 206 9.531 15.032 -5.774 1.00 73.53 O ATOM 1422 CB ASP A 206 10.920 17.227 -7.284 1.00 74.30 C ATOM 1423 CG ASP A 206 9.703 18.047 -6.902 1.00 44.53 C ATOM 1424 OD1 ASP A 206 8.598 17.471 -6.829 1.00 55.41 O ATOM 1425 OD2 ASP A 206 9.858 19.266 -6.676 1.00 34.43 O ATOM 0 H ASP A 206 13.255 16.369 -7.204 1.00 63.02 H new ATOM 0 HA ASP A 206 11.297 16.964 -5.185 1.00 72.14 H new ATOM 0 HB2 ASP A 206 11.700 17.891 -7.657 1.00 74.30 H new ATOM 0 HB3 ASP A 206 10.659 16.553 -8.100 1.00 74.30 H new ATOM 1430 N HIS A 207 11.476 13.989 -6.215 1.00 2.33 N ATOM 1431 CA HIS A 207 10.899 12.651 -6.154 1.00 1.12 C ATOM 1432 C HIS A 207 10.695 12.213 -4.707 1.00 21.32 C ATOM 1433 O HIS A 207 11.139 12.886 -3.777 1.00 20.41 O ATOM 1434 CB HIS A 207 11.799 11.651 -6.880 1.00 3.11 C ATOM 1435 CG HIS A 207 11.587 11.620 -8.362 1.00 41.52 C ATOM 1436 ND1 HIS A 207 12.303 10.800 -9.208 1.00 73.31 N ATOM 1437 CD2 HIS A 207 10.732 12.315 -9.149 1.00 32.24 C ATOM 1438 CE1 HIS A 207 11.898 10.992 -10.451 1.00 20.21 C ATOM 1439 NE2 HIS A 207 10.945 11.906 -10.442 1.00 52.11 N ATOM 0 H HIS A 207 12.475 14.008 -6.418 1.00 2.33 H new ATOM 0 HA HIS A 207 9.927 12.678 -6.647 1.00 1.12 H new ATOM 0 HB2 HIS A 207 12.841 11.897 -6.675 1.00 3.11 H new ATOM 0 HB3 HIS A 207 11.622 10.655 -6.475 1.00 3.11 H new ATOM 0 HD1 HIS A 207 13.032 10.147 -8.919 1.00 73.31 H new ATOM 0 HD2 HIS A 207 10.016 13.054 -8.821 1.00 32.24 H new ATOM 0 HE1 HIS A 207 12.281 10.487 -11.326 1.00 20.21 H new ATOM 1446 N GLN A 208 10.021 11.082 -4.526 1.00 34.14 N ATOM 1447 CA GLN A 208 9.757 10.556 -3.192 1.00 21.44 C ATOM 1448 C GLN A 208 10.380 9.174 -3.019 1.00 14.14 C ATOM 1449 O GLN A 208 9.846 8.176 -3.504 1.00 3.21 O ATOM 1450 CB GLN A 208 8.250 10.485 -2.937 1.00 24.42 C ATOM 1451 CG GLN A 208 7.880 10.525 -1.463 1.00 1.20 C ATOM 1452 CD GLN A 208 6.394 10.334 -1.229 1.00 45.51 C ATOM 1453 OE1 GLN A 208 5.947 9.249 -0.859 1.00 71.43 O ATOM 1454 NE2 GLN A 208 5.621 11.392 -1.444 1.00 35.03 N ATOM 0 H GLN A 208 9.648 10.513 -5.286 1.00 34.14 H new ATOM 0 HA GLN A 208 10.209 11.232 -2.466 1.00 21.44 H new ATOM 0 HB2 GLN A 208 7.764 11.316 -3.448 1.00 24.42 H new ATOM 0 HB3 GLN A 208 7.858 9.568 -3.377 1.00 24.42 H new ATOM 0 HG2 GLN A 208 8.430 9.748 -0.933 1.00 1.20 H new ATOM 0 HG3 GLN A 208 8.191 11.480 -1.040 1.00 1.20 H new ATOM 0 HE21 GLN A 208 6.035 12.272 -1.750 1.00 35.03 H new ATOM 0 HE22 GLN A 208 4.613 11.324 -1.303 1.00 35.03 H new ATOM 1463 N VAL A 209 11.512 9.123 -2.324 1.00 51.31 N ATOM 1464 CA VAL A 209 12.207 7.864 -2.086 1.00 61.04 C ATOM 1465 C VAL A 209 12.227 7.519 -0.602 1.00 32.14 C ATOM 1466 O VAL A 209 11.719 8.273 0.228 1.00 32.40 O ATOM 1467 CB VAL A 209 13.655 7.915 -2.610 1.00 31.34 C ATOM 1468 CG1 VAL A 209 13.674 8.226 -4.098 1.00 42.33 C ATOM 1469 CG2 VAL A 209 14.467 8.939 -1.831 1.00 54.25 C ATOM 0 H VAL A 209 11.967 9.940 -1.916 1.00 51.31 H new ATOM 0 HA VAL A 209 11.659 7.093 -2.627 1.00 61.04 H new ATOM 0 HB VAL A 209 14.111 6.936 -2.463 1.00 31.34 H new ATOM 0 HG11 VAL A 209 14.705 8.258 -4.450 1.00 42.33 H new ATOM 0 HG12 VAL A 209 13.130 7.452 -4.639 1.00 42.33 H new ATOM 0 HG13 VAL A 209 13.201 9.192 -4.274 1.00 42.33 H new ATOM 0 HG21 VAL A 209 15.487 8.962 -2.214 1.00 54.25 H new ATOM 0 HG22 VAL A 209 14.015 9.924 -1.944 1.00 54.25 H new ATOM 0 HG23 VAL A 209 14.482 8.665 -0.776 1.00 54.25 H new ATOM 1479 N ALA A 210 12.817 6.374 -0.273 1.00 43.45 N ATOM 1480 CA ALA A 210 12.906 5.930 1.112 1.00 52.10 C ATOM 1481 C ALA A 210 14.357 5.724 1.531 1.00 45.22 C ATOM 1482 O ALA A 210 15.241 5.573 0.688 1.00 41.12 O ATOM 1483 CB ALA A 210 12.111 4.647 1.307 1.00 42.24 C ATOM 0 H ALA A 210 13.241 5.737 -0.948 1.00 43.45 H new ATOM 0 HA ALA A 210 12.480 6.709 1.745 1.00 52.10 H new ATOM 0 HB1 ALA A 210 12.186 4.327 2.346 1.00 42.24 H new ATOM 0 HB2 ALA A 210 11.065 4.825 1.057 1.00 42.24 H new ATOM 0 HB3 ALA A 210 12.511 3.869 0.658 1.00 42.24 H new ATOM 1489 N ALA A 211 14.596 5.720 2.838 1.00 4.12 N ATOM 1490 CA ALA A 211 15.941 5.531 3.368 1.00 11.55 C ATOM 1491 C ALA A 211 16.055 4.207 4.116 1.00 4.53 C ATOM 1492 O ALA A 211 15.146 3.816 4.849 1.00 21.03 O ATOM 1493 CB ALA A 211 16.316 6.690 4.281 1.00 35.44 C ATOM 0 H ALA A 211 13.876 5.845 3.549 1.00 4.12 H new ATOM 0 HA ALA A 211 16.636 5.505 2.529 1.00 11.55 H new ATOM 0 HB1 ALA A 211 17.323 6.536 4.670 1.00 35.44 H new ATOM 0 HB2 ALA A 211 16.283 7.622 3.717 1.00 35.44 H new ATOM 0 HB3 ALA A 211 15.611 6.743 5.111 1.00 35.44 H new