USER MOD reduce.3.24.130724 H: found=0, std=0, add=638, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 641 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: B 134 GLN : amide:sc= -0.47! C(o=0.78!,f=-17!) USER MOD Set 1.2: B 173 LYS NZ :NH3+ 159:sc= 1.25 (180deg=0) USER MOD Single : B 117 ASN : amide:sc= -0.187 K(o=-0.19,f=-2!) USER MOD Single : B 119 GLN : amide:sc= -0.0159 K(o=-0.016,f=-1) USER MOD Single : B 121 GLN : amide:sc= -1.06 K(o=-1.1,f=-4.5!) USER MOD Single : B 137 SER OG : rot -33:sc= -0.387 USER MOD Single : B 138 SER OG : rot 120:sc= -1.65 USER MOD Single : B 140 ASN :FLIP amide:sc= -6.15! C(o=-13!,f=-6.1!) USER MOD Single : B 142 GLN :FLIP amide:sc= -0.0122 F(o=-0.98,f=-0.012) USER MOD Single : B 145 GLN : amide:sc= -4.41! C(o=-4.4!,f=-9.6!) USER MOD Single : B 152 SER OG : rot 141:sc= 1.02 USER MOD Single : B 153 ASN : amide:sc= 0 X(o=0,f=0.17) USER MOD Single : B 156 SER OG : rot 180:sc= 0 USER MOD Single : B 159 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 161 GLN : amide:sc= -0.115 X(o=-0.11,f=-0.29) USER MOD Single : B 162 LYS NZ :NH3+ 141:sc= 0.768 (180deg=0.0852) USER MOD Single : B 163 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : B 166 LYS NZ :NH3+ -163:sc= -0.0286 (180deg=-0.235) USER MOD Single : B 176 GLN : amide:sc= -0.0272 X(o=-0.027,f=-0.027) USER MOD Single : B 178 GLN : amide:sc= -0.356 K(o=-0.36,f=-0.91) USER MOD Single : B 179 SER OG : rot 180:sc= 0 USER MOD Single : B 180 HIS : no HE2:sc= 0.631 K(o=0.63,f=-3.5!) USER MOD Single : B 182 ASN : amide:sc= 0.749 K(o=0.75,f=-8.7!) USER MOD Single : B 184 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 186 GLN :FLIP amide:sc=-0.00745 F(o=-1,f=-0.0074) USER MOD Single : B 187 LYS NZ :NH3+ -162:sc= 0.506 (180deg=0.353) USER MOD Single : B 190 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : B 195 LYS NZ :NH3+ -162:sc= 2.54 (180deg=2.15) USER MOD Single : B 197 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : B 198 SER OG : rot 180:sc= 0 USER MOD Single : B 199 HIS : no HD1:sc= 0 X(o=0,f=-0.00037) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY B 116 -1.035 1.083 -18.810 1.00 43.50 N ATOM 2 CA GLY B 116 0.088 0.396 -18.178 1.00 51.03 C ATOM 3 C GLY B 116 0.514 1.086 -16.920 1.00 55.12 C ATOM 4 O GLY B 116 0.496 0.495 -15.831 1.00 71.11 O ATOM 0 HA2 GLY B 116 -0.193 -0.633 -17.953 1.00 51.03 H new ATOM 0 HA3 GLY B 116 0.927 0.352 -18.873 1.00 51.03 H new ATOM 10 N ASN B 117 0.874 2.334 -17.063 1.00 42.41 N ATOM 11 CA ASN B 117 1.312 3.172 -15.978 1.00 13.23 C ATOM 12 C ASN B 117 1.263 4.610 -16.431 1.00 52.13 C ATOM 13 O ASN B 117 2.246 5.200 -16.869 1.00 15.13 O ATOM 14 CB ASN B 117 2.703 2.767 -15.379 1.00 73.32 C ATOM 15 CG ASN B 117 3.874 2.762 -16.366 1.00 54.21 C ATOM 16 OD1 ASN B 117 3.710 2.527 -17.563 1.00 63.23 O ATOM 17 ND2 ASN B 117 5.058 2.986 -15.864 1.00 10.35 N ATOM 0 H ASN B 117 0.870 2.810 -17.965 1.00 42.41 H new ATOM 0 HA ASN B 117 0.627 3.032 -15.142 1.00 13.23 H new ATOM 0 HB2 ASN B 117 2.941 3.452 -14.565 1.00 73.32 H new ATOM 0 HB3 ASN B 117 2.615 1.772 -14.943 1.00 73.32 H new ATOM 0 HD21 ASN B 117 5.880 2.969 -16.468 1.00 10.35 H new ATOM 0 HD22 ASN B 117 5.161 3.178 -14.868 1.00 10.35 H new ATOM 24 N GLU B 118 0.071 5.123 -16.421 1.00 24.14 N ATOM 25 CA GLU B 118 -0.204 6.458 -16.866 1.00 20.43 C ATOM 26 C GLU B 118 -0.269 7.388 -15.660 1.00 64.51 C ATOM 27 O GLU B 118 0.138 7.007 -14.557 1.00 4.54 O ATOM 28 CB GLU B 118 -1.543 6.492 -17.635 1.00 44.13 C ATOM 29 CG GLU B 118 -1.577 5.757 -18.987 1.00 15.24 C ATOM 30 CD GLU B 118 -1.452 4.247 -18.894 1.00 74.53 C ATOM 31 OE1 GLU B 118 -2.428 3.583 -18.511 1.00 52.43 O1- ATOM 32 OE2 GLU B 118 -0.361 3.687 -19.191 1.00 53.31 O ATOM 0 H GLU B 118 -0.754 4.618 -16.098 1.00 24.14 H new ATOM 0 HA GLU B 118 0.591 6.789 -17.534 1.00 20.43 H new ATOM 0 HB2 GLU B 118 -2.315 6.065 -16.995 1.00 44.13 H new ATOM 0 HB3 GLU B 118 -1.812 7.534 -17.806 1.00 44.13 H new ATOM 0 HG2 GLU B 118 -2.511 6.000 -19.493 1.00 15.24 H new ATOM 0 HG3 GLU B 118 -0.768 6.137 -19.611 1.00 15.24 H new ATOM 39 N GLN B 119 -0.744 8.600 -15.865 1.00 61.40 N ATOM 40 CA GLN B 119 -0.940 9.537 -14.771 1.00 31.52 C ATOM 41 C GLN B 119 -2.423 9.705 -14.505 1.00 32.23 C ATOM 42 O GLN B 119 -2.862 10.721 -13.984 1.00 54.13 O ATOM 43 CB GLN B 119 -0.304 10.904 -15.061 1.00 41.20 C ATOM 44 CG GLN B 119 1.209 10.891 -15.172 1.00 1.52 C ATOM 45 CD GLN B 119 1.809 12.286 -15.223 1.00 61.52 C ATOM 46 OE1 GLN B 119 1.268 13.240 -14.658 1.00 24.42 O ATOM 47 NE2 GLN B 119 2.919 12.422 -15.882 1.00 12.13 N ATOM 0 H GLN B 119 -1.003 8.963 -16.782 1.00 61.40 H new ATOM 0 HA GLN B 119 -0.446 9.127 -13.890 1.00 31.52 H new ATOM 0 HB2 GLN B 119 -0.719 11.292 -15.991 1.00 41.20 H new ATOM 0 HB3 GLN B 119 -0.590 11.597 -14.270 1.00 41.20 H new ATOM 0 HG2 GLN B 119 1.626 10.352 -14.321 1.00 1.52 H new ATOM 0 HG3 GLN B 119 1.498 10.343 -16.069 1.00 1.52 H new ATOM 0 HE21 GLN B 119 3.343 11.615 -16.339 1.00 12.13 H new ATOM 0 HE22 GLN B 119 3.367 13.336 -15.943 1.00 12.13 H new ATOM 56 N ILE B 120 -3.193 8.706 -14.860 1.00 13.15 N ATOM 57 CA ILE B 120 -4.611 8.755 -14.634 1.00 72.34 C ATOM 58 C ILE B 120 -5.045 7.914 -13.448 1.00 63.42 C ATOM 59 O ILE B 120 -4.709 6.727 -13.340 1.00 15.52 O ATOM 60 CB ILE B 120 -5.479 8.476 -15.924 1.00 14.33 C ATOM 61 CG1 ILE B 120 -5.030 7.228 -16.731 1.00 2.13 C ATOM 62 CG2 ILE B 120 -5.525 9.692 -16.822 1.00 74.13 C ATOM 63 CD1 ILE B 120 -5.427 5.886 -16.150 1.00 15.40 C ATOM 0 H ILE B 120 -2.860 7.851 -15.306 1.00 13.15 H new ATOM 0 HA ILE B 120 -4.817 9.793 -14.373 1.00 72.34 H new ATOM 0 HB ILE B 120 -6.481 8.257 -15.556 1.00 14.33 H new ATOM 0 HG12 ILE B 120 -5.442 7.303 -17.737 1.00 2.13 H new ATOM 0 HG13 ILE B 120 -3.945 7.253 -16.828 1.00 2.13 H new ATOM 0 HG21 ILE B 120 -6.129 9.472 -17.702 1.00 74.13 H new ATOM 0 HG22 ILE B 120 -5.966 10.528 -16.280 1.00 74.13 H new ATOM 0 HG23 ILE B 120 -4.513 9.954 -17.132 1.00 74.13 H new ATOM 0 HD11 ILE B 120 -5.061 5.087 -16.796 1.00 15.40 H new ATOM 0 HD12 ILE B 120 -4.993 5.777 -15.156 1.00 15.40 H new ATOM 0 HD13 ILE B 120 -6.513 5.827 -16.080 1.00 15.40 H new ATOM 75 N GLN B 121 -5.710 8.553 -12.532 1.00 31.15 N ATOM 76 CA GLN B 121 -6.302 7.882 -11.417 1.00 74.41 C ATOM 77 C GLN B 121 -7.746 7.655 -11.794 1.00 73.22 C ATOM 78 O GLN B 121 -8.165 6.523 -12.038 1.00 63.31 O ATOM 79 CB GLN B 121 -6.237 8.714 -10.099 1.00 50.23 C ATOM 80 CG GLN B 121 -4.844 9.010 -9.515 1.00 22.34 C ATOM 81 CD GLN B 121 -3.985 9.922 -10.371 1.00 14.12 C ATOM 82 OE1 GLN B 121 -3.227 9.482 -11.196 1.00 73.01 O ATOM 83 NE2 GLN B 121 -4.116 11.197 -10.180 1.00 74.34 N ATOM 0 H GLN B 121 -5.857 9.562 -12.539 1.00 31.15 H new ATOM 0 HA GLN B 121 -5.759 6.958 -11.217 1.00 74.41 H new ATOM 0 HB2 GLN B 121 -6.737 9.666 -10.277 1.00 50.23 H new ATOM 0 HB3 GLN B 121 -6.815 8.188 -9.340 1.00 50.23 H new ATOM 0 HG2 GLN B 121 -4.965 9.463 -8.531 1.00 22.34 H new ATOM 0 HG3 GLN B 121 -4.317 8.067 -9.369 1.00 22.34 H new ATOM 0 HE21 GLN B 121 -4.766 11.543 -9.474 1.00 74.34 H new ATOM 0 HE22 GLN B 121 -3.569 11.855 -10.736 1.00 74.34 H new ATOM 92 N ALA B 122 -8.468 8.780 -11.936 1.00 41.21 N ATOM 93 CA ALA B 122 -9.888 8.836 -12.320 1.00 24.13 C ATOM 94 C ALA B 122 -10.797 8.003 -11.407 1.00 2.40 C ATOM 95 O ALA B 122 -11.400 8.527 -10.469 1.00 73.44 O ATOM 96 CB ALA B 122 -10.085 8.476 -13.794 1.00 72.12 C ATOM 0 H ALA B 122 -8.066 9.705 -11.782 1.00 41.21 H new ATOM 0 HA ALA B 122 -10.197 9.872 -12.184 1.00 24.13 H new ATOM 0 HB1 ALA B 122 -11.145 8.528 -14.043 1.00 72.12 H new ATOM 0 HB2 ALA B 122 -9.531 9.178 -14.417 1.00 72.12 H new ATOM 0 HB3 ALA B 122 -9.719 7.465 -13.974 1.00 72.12 H new ATOM 102 N VAL B 123 -10.854 6.724 -11.652 1.00 32.32 N ATOM 103 CA VAL B 123 -11.685 5.834 -10.899 1.00 1.33 C ATOM 104 C VAL B 123 -10.848 5.008 -9.919 1.00 40.25 C ATOM 105 O VAL B 123 -10.258 3.975 -10.263 1.00 2.34 O ATOM 106 CB VAL B 123 -12.597 4.945 -11.812 1.00 22.10 C ATOM 107 CG1 VAL B 123 -13.678 5.801 -12.455 1.00 31.50 C ATOM 108 CG2 VAL B 123 -11.790 4.269 -12.917 1.00 61.11 C ATOM 0 H VAL B 123 -10.317 6.267 -12.389 1.00 32.32 H new ATOM 0 HA VAL B 123 -12.370 6.444 -10.310 1.00 1.33 H new ATOM 0 HB VAL B 123 -13.045 4.177 -11.181 1.00 22.10 H new ATOM 0 HG11 VAL B 123 -14.308 5.176 -13.088 1.00 31.50 H new ATOM 0 HG12 VAL B 123 -14.288 6.261 -11.678 1.00 31.50 H new ATOM 0 HG13 VAL B 123 -13.214 6.579 -13.060 1.00 31.50 H new ATOM 0 HG21 VAL B 123 -12.453 3.660 -13.532 1.00 61.11 H new ATOM 0 HG22 VAL B 123 -11.316 5.029 -13.538 1.00 61.11 H new ATOM 0 HG23 VAL B 123 -11.024 3.634 -12.472 1.00 61.11 H new ATOM 118 N ILE B 124 -10.753 5.513 -8.712 1.00 62.51 N ATOM 119 CA ILE B 124 -9.980 4.890 -7.649 1.00 71.11 C ATOM 120 C ILE B 124 -10.843 4.792 -6.408 1.00 0.30 C ATOM 121 O ILE B 124 -10.378 4.978 -5.279 1.00 33.21 O ATOM 122 CB ILE B 124 -8.624 5.650 -7.315 1.00 52.55 C ATOM 123 CG1 ILE B 124 -8.807 7.136 -6.836 1.00 73.02 C ATOM 124 CG2 ILE B 124 -7.635 5.563 -8.471 1.00 35.02 C ATOM 125 CD1 ILE B 124 -9.348 8.120 -7.861 1.00 64.21 C ATOM 0 H ILE B 124 -11.214 6.379 -8.431 1.00 62.51 H new ATOM 0 HA ILE B 124 -9.688 3.900 -8.000 1.00 71.11 H new ATOM 0 HB ILE B 124 -8.210 5.120 -6.457 1.00 52.55 H new ATOM 0 HG12 ILE B 124 -9.477 7.137 -5.976 1.00 73.02 H new ATOM 0 HG13 ILE B 124 -7.842 7.503 -6.488 1.00 73.02 H new ATOM 0 HG21 ILE B 124 -6.720 6.093 -8.208 1.00 35.02 H new ATOM 0 HG22 ILE B 124 -7.403 4.517 -8.673 1.00 35.02 H new ATOM 0 HG23 ILE B 124 -8.074 6.016 -9.360 1.00 35.02 H new ATOM 0 HD11 ILE B 124 -9.428 9.109 -7.409 1.00 64.21 H new ATOM 0 HD12 ILE B 124 -8.672 8.165 -8.715 1.00 64.21 H new ATOM 0 HD13 ILE B 124 -10.333 7.793 -8.195 1.00 64.21 H new ATOM 137 N ASP B 125 -12.108 4.478 -6.634 1.00 72.44 N ATOM 138 CA ASP B 125 -13.090 4.365 -5.565 1.00 72.14 C ATOM 139 C ASP B 125 -12.726 3.240 -4.637 1.00 42.52 C ATOM 140 O ASP B 125 -12.763 2.069 -5.010 1.00 35.22 O ATOM 141 CB ASP B 125 -14.494 4.177 -6.123 1.00 54.42 C ATOM 142 CG ASP B 125 -15.526 3.941 -5.048 1.00 62.03 C ATOM 143 OD1 ASP B 125 -15.787 4.862 -4.247 1.00 52.23 O1- ATOM 144 OD2 ASP B 125 -16.094 2.827 -4.997 1.00 71.31 O ATOM 0 H ASP B 125 -12.485 4.294 -7.564 1.00 72.44 H new ATOM 0 HA ASP B 125 -13.083 5.296 -4.998 1.00 72.14 H new ATOM 0 HB2 ASP B 125 -14.772 5.060 -6.699 1.00 54.42 H new ATOM 0 HB3 ASP B 125 -14.495 3.333 -6.813 1.00 54.42 H new ATOM 149 N ALA B 126 -12.344 3.596 -3.457 1.00 42.32 N ATOM 150 CA ALA B 126 -11.876 2.651 -2.510 1.00 24.12 C ATOM 151 C ALA B 126 -12.464 2.941 -1.157 1.00 75.33 C ATOM 152 O ALA B 126 -12.166 3.978 -0.536 1.00 30.15 O ATOM 153 CB ALA B 126 -10.370 2.695 -2.468 1.00 5.20 C ATOM 0 H ALA B 126 -12.349 4.560 -3.123 1.00 42.32 H new ATOM 0 HA ALA B 126 -12.189 1.649 -2.803 1.00 24.12 H new ATOM 0 HB1 ALA B 126 -10.005 1.970 -1.741 1.00 5.20 H new ATOM 0 HB2 ALA B 126 -9.971 2.453 -3.453 1.00 5.20 H new ATOM 0 HB3 ALA B 126 -10.043 3.694 -2.180 1.00 5.20 H new ATOM 159 N GLY B 127 -13.323 2.064 -0.732 1.00 40.01 N ATOM 160 CA GLY B 127 -13.947 2.176 0.538 1.00 12.24 C ATOM 161 C GLY B 127 -14.204 0.818 1.116 1.00 34.14 C ATOM 162 O GLY B 127 -15.077 0.101 0.621 1.00 44.31 O ATOM 0 H GLY B 127 -13.609 1.245 -1.268 1.00 40.01 H new ATOM 0 HA2 GLY B 127 -13.312 2.751 1.212 1.00 12.24 H new ATOM 0 HA3 GLY B 127 -14.886 2.721 0.442 1.00 12.24 H new ATOM 166 N ALA B 128 -13.386 0.441 2.110 1.00 63.14 N ATOM 167 CA ALA B 128 -13.461 -0.850 2.854 1.00 40.55 C ATOM 168 C ALA B 128 -13.032 -2.076 2.020 1.00 61.14 C ATOM 169 O ALA B 128 -12.326 -2.961 2.514 1.00 12.21 O ATOM 170 CB ALA B 128 -14.838 -1.064 3.492 1.00 63.33 C ATOM 0 H ALA B 128 -12.626 1.037 2.438 1.00 63.14 H new ATOM 0 HA ALA B 128 -12.727 -0.762 3.655 1.00 40.55 H new ATOM 0 HB1 ALA B 128 -14.849 -2.016 4.024 1.00 63.33 H new ATOM 0 HB2 ALA B 128 -15.044 -0.255 4.192 1.00 63.33 H new ATOM 0 HB3 ALA B 128 -15.602 -1.074 2.714 1.00 63.33 H new ATOM 176 N LEU B 129 -13.459 -2.117 0.784 1.00 55.53 N ATOM 177 CA LEU B 129 -13.149 -3.202 -0.138 1.00 45.21 C ATOM 178 C LEU B 129 -11.667 -3.172 -0.570 1.00 33.52 C ATOM 179 O LEU B 129 -10.989 -2.137 -0.414 1.00 22.43 O ATOM 180 CB LEU B 129 -14.084 -3.144 -1.382 1.00 71.14 C ATOM 181 CG LEU B 129 -15.533 -3.676 -1.235 1.00 72.10 C ATOM 182 CD1 LEU B 129 -15.545 -5.146 -0.859 1.00 71.02 C ATOM 183 CD2 LEU B 129 -16.343 -2.866 -0.240 1.00 45.41 C ATOM 0 H LEU B 129 -14.043 -1.388 0.374 1.00 55.53 H new ATOM 0 HA LEU B 129 -13.321 -4.142 0.385 1.00 45.21 H new ATOM 0 HB2 LEU B 129 -14.142 -2.105 -1.707 1.00 71.14 H new ATOM 0 HB3 LEU B 129 -13.604 -3.703 -2.186 1.00 71.14 H new ATOM 0 HG LEU B 129 -16.007 -3.565 -2.210 1.00 72.10 H new ATOM 0 HD11 LEU B 129 -16.575 -5.489 -0.764 1.00 71.02 H new ATOM 0 HD12 LEU B 129 -15.041 -5.724 -1.634 1.00 71.02 H new ATOM 0 HD13 LEU B 129 -15.028 -5.283 0.091 1.00 71.02 H new ATOM 0 HD21 LEU B 129 -17.350 -3.276 -0.171 1.00 45.41 H new ATOM 0 HD22 LEU B 129 -15.866 -2.910 0.739 1.00 45.41 H new ATOM 0 HD23 LEU B 129 -16.396 -1.829 -0.572 1.00 45.41 H new ATOM 195 N PRO B 130 -11.141 -4.314 -1.138 1.00 0.32 N ATOM 196 CA PRO B 130 -9.749 -4.449 -1.617 1.00 63.11 C ATOM 197 C PRO B 130 -9.265 -3.347 -2.521 1.00 21.50 C ATOM 198 O PRO B 130 -8.079 -3.219 -2.710 1.00 1.14 O ATOM 199 CB PRO B 130 -9.761 -5.757 -2.384 1.00 74.52 C ATOM 200 CG PRO B 130 -10.777 -6.563 -1.682 1.00 3.43 C ATOM 201 CD PRO B 130 -11.867 -5.597 -1.343 1.00 14.32 C ATOM 0 HA PRO B 130 -9.067 -4.406 -0.768 1.00 63.11 H new ATOM 0 HB2 PRO B 130 -10.023 -5.605 -3.431 1.00 74.52 H new ATOM 0 HB3 PRO B 130 -8.784 -6.240 -2.367 1.00 74.52 H new ATOM 0 HG2 PRO B 130 -11.147 -7.370 -2.314 1.00 3.43 H new ATOM 0 HG3 PRO B 130 -10.365 -7.024 -0.785 1.00 3.43 H new ATOM 0 HD2 PRO B 130 -12.600 -5.520 -2.146 1.00 14.32 H new ATOM 0 HD3 PRO B 130 -12.408 -5.900 -0.446 1.00 14.32 H new ATOM 209 N ALA B 131 -10.164 -2.577 -3.094 1.00 12.31 N ATOM 210 CA ALA B 131 -9.793 -1.461 -3.945 1.00 41.31 C ATOM 211 C ALA B 131 -8.772 -0.534 -3.263 1.00 3.12 C ATOM 212 O ALA B 131 -7.918 0.027 -3.930 1.00 52.45 O ATOM 213 CB ALA B 131 -11.010 -0.684 -4.396 1.00 12.14 C ATOM 0 H ALA B 131 -11.170 -2.704 -2.985 1.00 12.31 H new ATOM 0 HA ALA B 131 -9.314 -1.881 -4.829 1.00 41.31 H new ATOM 0 HB1 ALA B 131 -10.698 0.145 -5.031 1.00 12.14 H new ATOM 0 HB2 ALA B 131 -11.674 -1.341 -4.957 1.00 12.14 H new ATOM 0 HB3 ALA B 131 -11.537 -0.295 -3.525 1.00 12.14 H new ATOM 219 N LEU B 132 -8.830 -0.438 -1.924 1.00 31.23 N ATOM 220 CA LEU B 132 -7.870 0.373 -1.169 1.00 71.30 C ATOM 221 C LEU B 132 -6.443 -0.189 -1.320 1.00 32.55 C ATOM 222 O LEU B 132 -5.464 0.540 -1.330 1.00 34.51 O ATOM 223 CB LEU B 132 -8.313 0.520 0.338 1.00 34.00 C ATOM 224 CG LEU B 132 -8.439 -0.758 1.227 1.00 41.21 C ATOM 225 CD1 LEU B 132 -7.080 -1.282 1.724 1.00 25.22 C ATOM 226 CD2 LEU B 132 -9.369 -0.491 2.400 1.00 65.03 C ATOM 0 H LEU B 132 -9.528 -0.910 -1.349 1.00 31.23 H new ATOM 0 HA LEU B 132 -7.858 1.380 -1.587 1.00 71.30 H new ATOM 0 HB2 LEU B 132 -7.602 1.188 0.824 1.00 34.00 H new ATOM 0 HB3 LEU B 132 -9.280 1.022 0.347 1.00 34.00 H new ATOM 0 HG LEU B 132 -8.861 -1.541 0.597 1.00 41.21 H new ATOM 0 HD11 LEU B 132 -7.234 -2.171 2.336 1.00 25.22 H new ATOM 0 HD12 LEU B 132 -6.453 -1.535 0.869 1.00 25.22 H new ATOM 0 HD13 LEU B 132 -6.589 -0.512 2.319 1.00 25.22 H new ATOM 0 HD21 LEU B 132 -9.449 -1.389 3.013 1.00 65.03 H new ATOM 0 HD22 LEU B 132 -8.970 0.325 3.003 1.00 65.03 H new ATOM 0 HD23 LEU B 132 -10.356 -0.217 2.027 1.00 65.03 H new ATOM 238 N VAL B 133 -6.356 -1.492 -1.440 1.00 20.30 N ATOM 239 CA VAL B 133 -5.096 -2.172 -1.585 1.00 2.44 C ATOM 240 C VAL B 133 -4.645 -2.213 -3.025 1.00 41.43 C ATOM 241 O VAL B 133 -3.469 -2.404 -3.327 1.00 11.14 O ATOM 242 CB VAL B 133 -5.168 -3.580 -1.006 1.00 33.41 C ATOM 243 CG1 VAL B 133 -5.552 -4.663 -1.978 1.00 1.21 C ATOM 244 CG2 VAL B 133 -3.975 -3.901 -0.208 1.00 60.04 C ATOM 0 H VAL B 133 -7.165 -2.113 -1.439 1.00 20.30 H new ATOM 0 HA VAL B 133 -4.355 -1.604 -1.023 1.00 2.44 H new ATOM 0 HB VAL B 133 -6.019 -3.560 -0.325 1.00 33.41 H new ATOM 0 HG11 VAL B 133 -5.573 -5.623 -1.463 1.00 1.21 H new ATOM 0 HG12 VAL B 133 -6.539 -4.450 -2.389 1.00 1.21 H new ATOM 0 HG13 VAL B 133 -4.822 -4.701 -2.787 1.00 1.21 H new ATOM 0 HG21 VAL B 133 -4.063 -4.913 0.188 1.00 60.04 H new ATOM 0 HG22 VAL B 133 -3.087 -3.834 -0.837 1.00 60.04 H new ATOM 0 HG23 VAL B 133 -3.889 -3.195 0.618 1.00 60.04 H new ATOM 254 N GLN B 134 -5.589 -2.051 -3.897 1.00 51.03 N ATOM 255 CA GLN B 134 -5.340 -2.191 -5.306 1.00 1.43 C ATOM 256 C GLN B 134 -4.409 -1.117 -5.830 1.00 10.22 C ATOM 257 O GLN B 134 -3.509 -1.397 -6.630 1.00 3.33 O ATOM 258 CB GLN B 134 -6.620 -2.237 -6.125 1.00 62.21 C ATOM 259 CG GLN B 134 -7.536 -3.417 -5.816 1.00 72.32 C ATOM 260 CD GLN B 134 -6.932 -4.796 -6.088 1.00 12.24 C ATOM 261 OE1 GLN B 134 -5.723 -5.016 -5.991 1.00 42.42 O ATOM 262 NE2 GLN B 134 -7.772 -5.733 -6.415 1.00 42.35 N ATOM 0 H GLN B 134 -6.553 -1.819 -3.659 1.00 51.03 H new ATOM 0 HA GLN B 134 -4.843 -3.154 -5.424 1.00 1.43 H new ATOM 0 HB2 GLN B 134 -7.174 -1.313 -5.960 1.00 62.21 H new ATOM 0 HB3 GLN B 134 -6.357 -2.267 -7.182 1.00 62.21 H new ATOM 0 HG2 GLN B 134 -7.828 -3.366 -4.767 1.00 72.32 H new ATOM 0 HG3 GLN B 134 -8.447 -3.314 -6.405 1.00 72.32 H new ATOM 0 HE21 GLN B 134 -8.767 -5.523 -6.488 1.00 42.35 H new ATOM 0 HE22 GLN B 134 -7.436 -6.678 -6.599 1.00 42.35 H new ATOM 271 N LEU B 135 -4.593 0.106 -5.352 1.00 31.00 N ATOM 272 CA LEU B 135 -3.733 1.200 -5.766 1.00 53.40 C ATOM 273 C LEU B 135 -2.351 0.999 -5.216 1.00 44.52 C ATOM 274 O LEU B 135 -1.389 1.328 -5.867 1.00 61.22 O ATOM 275 CB LEU B 135 -4.258 2.579 -5.343 1.00 12.34 C ATOM 276 CG LEU B 135 -4.593 2.738 -3.867 1.00 11.04 C ATOM 277 CD1 LEU B 135 -4.138 4.104 -3.361 1.00 24.03 C ATOM 278 CD2 LEU B 135 -6.092 2.583 -3.686 1.00 52.53 C ATOM 0 H LEU B 135 -5.321 0.361 -4.685 1.00 31.00 H new ATOM 0 HA LEU B 135 -3.717 1.187 -6.856 1.00 53.40 H new ATOM 0 HB2 LEU B 135 -3.512 3.328 -5.609 1.00 12.34 H new ATOM 0 HB3 LEU B 135 -5.153 2.800 -5.925 1.00 12.34 H new ATOM 0 HG LEU B 135 -4.072 1.974 -3.291 1.00 11.04 H new ATOM 0 HD11 LEU B 135 -4.385 4.201 -2.304 1.00 24.03 H new ATOM 0 HD12 LEU B 135 -3.060 4.200 -3.492 1.00 24.03 H new ATOM 0 HD13 LEU B 135 -4.643 4.888 -3.925 1.00 24.03 H new ATOM 0 HD21 LEU B 135 -6.345 2.695 -2.632 1.00 52.53 H new ATOM 0 HD22 LEU B 135 -6.609 3.347 -4.266 1.00 52.53 H new ATOM 0 HD23 LEU B 135 -6.400 1.596 -4.030 1.00 52.53 H new ATOM 290 N LEU B 136 -2.279 0.382 -4.023 1.00 21.22 N ATOM 291 CA LEU B 136 -1.011 0.106 -3.323 1.00 44.41 C ATOM 292 C LEU B 136 -0.185 -0.798 -4.167 1.00 40.11 C ATOM 293 O LEU B 136 1.017 -0.687 -4.246 1.00 61.31 O ATOM 294 CB LEU B 136 -1.278 -0.656 -2.042 1.00 1.14 C ATOM 295 CG LEU B 136 -0.160 -0.680 -0.998 1.00 52.41 C ATOM 296 CD1 LEU B 136 0.098 0.716 -0.453 1.00 41.23 C ATOM 297 CD2 LEU B 136 -0.514 -1.643 0.121 1.00 34.05 C ATOM 0 H LEU B 136 -3.102 0.059 -3.515 1.00 21.22 H new ATOM 0 HA LEU B 136 -0.516 1.056 -3.121 1.00 44.41 H new ATOM 0 HB2 LEU B 136 -2.167 -0.232 -1.575 1.00 1.14 H new ATOM 0 HB3 LEU B 136 -1.517 -1.686 -2.305 1.00 1.14 H new ATOM 0 HG LEU B 136 0.757 -1.026 -1.475 1.00 52.41 H new ATOM 0 HD11 LEU B 136 0.897 0.676 0.288 1.00 41.23 H new ATOM 0 HD12 LEU B 136 0.393 1.376 -1.269 1.00 41.23 H new ATOM 0 HD13 LEU B 136 -0.810 1.098 0.013 1.00 41.23 H new ATOM 0 HD21 LEU B 136 0.288 -1.653 0.859 1.00 34.05 H new ATOM 0 HD22 LEU B 136 -1.441 -1.323 0.597 1.00 34.05 H new ATOM 0 HD23 LEU B 136 -0.643 -2.645 -0.288 1.00 34.05 H new ATOM 309 N SER B 137 -0.867 -1.664 -4.836 1.00 11.45 N ATOM 310 CA SER B 137 -0.263 -2.665 -5.611 1.00 2.00 C ATOM 311 C SER B 137 0.173 -2.115 -7.001 1.00 23.45 C ATOM 312 O SER B 137 0.442 -2.898 -7.924 1.00 1.12 O ATOM 313 CB SER B 137 -1.262 -3.842 -5.743 1.00 70.13 C ATOM 314 OG SER B 137 -0.804 -4.881 -6.588 1.00 44.15 O ATOM 0 H SER B 137 -1.887 -1.686 -4.852 1.00 11.45 H new ATOM 0 HA SER B 137 0.647 -3.016 -5.124 1.00 2.00 H new ATOM 0 HB2 SER B 137 -1.461 -4.251 -4.753 1.00 70.13 H new ATOM 0 HB3 SER B 137 -2.209 -3.463 -6.128 1.00 70.13 H new ATOM 0 HG SER B 137 -0.255 -4.501 -7.305 1.00 44.15 H new ATOM 320 N SER B 138 0.271 -0.787 -7.124 1.00 30.13 N ATOM 321 CA SER B 138 0.513 -0.136 -8.355 1.00 70.24 C ATOM 322 C SER B 138 1.663 -0.641 -9.222 1.00 64.22 C ATOM 323 O SER B 138 2.745 -0.981 -8.735 1.00 31.04 O ATOM 324 CB SER B 138 0.785 1.296 -8.098 1.00 65.30 C ATOM 325 OG SER B 138 1.928 1.475 -7.296 1.00 2.10 O ATOM 0 H SER B 138 0.178 -0.147 -6.335 1.00 30.13 H new ATOM 0 HA SER B 138 -0.395 -0.345 -8.920 1.00 70.24 H new ATOM 0 HB2 SER B 138 0.921 1.816 -9.046 1.00 65.30 H new ATOM 0 HB3 SER B 138 -0.077 1.748 -7.608 1.00 65.30 H new ATOM 0 HG SER B 138 2.592 2.004 -7.786 1.00 2.10 H new ATOM 331 N PRO B 139 1.397 -0.733 -10.533 1.00 3.54 N ATOM 332 CA PRO B 139 2.456 -0.727 -11.552 1.00 24.41 C ATOM 333 C PRO B 139 2.841 0.774 -11.738 1.00 3.55 C ATOM 334 O PRO B 139 3.962 1.147 -12.042 1.00 33.11 O ATOM 335 CB PRO B 139 1.688 -1.141 -12.828 1.00 51.14 C ATOM 336 CG PRO B 139 0.326 -0.606 -12.553 1.00 12.24 C ATOM 337 CD PRO B 139 0.054 -0.958 -11.145 1.00 64.24 C ATOM 0 HA PRO B 139 3.325 -1.345 -11.327 1.00 24.41 H new ATOM 0 HB2 PRO B 139 2.124 -0.705 -13.727 1.00 51.14 H new ATOM 0 HB3 PRO B 139 1.682 -2.222 -12.968 1.00 51.14 H new ATOM 0 HG2 PRO B 139 0.288 0.473 -12.705 1.00 12.24 H new ATOM 0 HG3 PRO B 139 -0.414 -1.048 -13.220 1.00 12.24 H new ATOM 0 HD2 PRO B 139 -0.713 -0.323 -10.702 1.00 64.24 H new ATOM 0 HD3 PRO B 139 -0.282 -1.989 -11.035 1.00 64.24 H new ATOM 345 N ASN B 140 1.809 1.589 -11.498 1.00 23.02 N ATOM 346 CA ASN B 140 1.699 2.950 -11.669 1.00 20.23 C ATOM 347 C ASN B 140 2.035 3.665 -10.400 1.00 43.12 C ATOM 348 O ASN B 140 1.150 4.076 -9.653 1.00 34.53 O ATOM 349 CB ASN B 140 0.242 3.252 -12.183 1.00 62.14 C ATOM 350 CG ASN B 140 -0.883 2.357 -11.630 1.00 24.03 C ATOM 351 OD1 ASN B 140 -0.886 2.073 -10.392 1.00 54.34 O flip ATOM 352 ND2 ASN B 140 -1.807 2.021 -12.357 1.00 42.30 N flip ATOM 0 H ASN B 140 0.938 1.205 -11.130 1.00 23.02 H new ATOM 0 HA ASN B 140 2.410 3.315 -12.410 1.00 20.23 H new ATOM 0 HB2 ASN B 140 0.003 4.288 -11.942 1.00 62.14 H new ATOM 0 HB3 ASN B 140 0.240 3.169 -13.270 1.00 62.14 H new ATOM 0 HD21 ASN B 140 -1.788 2.258 -13.349 1.00 42.30 H new ATOM 0 HD22 ASN B 140 -2.597 1.504 -11.971 1.00 42.30 H new ATOM 359 N GLU B 141 3.326 3.747 -10.142 1.00 73.15 N ATOM 360 CA GLU B 141 3.893 4.423 -8.978 1.00 45.35 C ATOM 361 C GLU B 141 3.423 5.868 -8.934 1.00 73.44 C ATOM 362 O GLU B 141 3.244 6.453 -7.866 1.00 64.43 O ATOM 363 CB GLU B 141 5.415 4.381 -9.066 1.00 72.42 C ATOM 364 CG GLU B 141 6.023 2.992 -8.942 1.00 31.50 C ATOM 365 CD GLU B 141 7.499 3.000 -9.244 1.00 2.21 C ATOM 366 OE1 GLU B 141 8.317 3.395 -8.376 1.00 2.24 O1- ATOM 367 OE2 GLU B 141 7.870 2.677 -10.379 1.00 72.31 O ATOM 0 H GLU B 141 4.034 3.335 -10.750 1.00 73.15 H new ATOM 0 HA GLU B 141 3.563 3.917 -8.071 1.00 45.35 H new ATOM 0 HB2 GLU B 141 5.722 4.813 -10.019 1.00 72.42 H new ATOM 0 HB3 GLU B 141 5.828 5.014 -8.281 1.00 72.42 H new ATOM 0 HG2 GLU B 141 5.860 2.612 -7.933 1.00 31.50 H new ATOM 0 HG3 GLU B 141 5.516 2.311 -9.625 1.00 31.50 H new ATOM 374 N GLN B 142 3.223 6.424 -10.114 1.00 51.13 N ATOM 375 CA GLN B 142 2.721 7.769 -10.267 1.00 31.54 C ATOM 376 C GLN B 142 1.338 7.917 -9.648 1.00 51.24 C ATOM 377 O GLN B 142 1.155 8.726 -8.733 1.00 5.41 O ATOM 378 CB GLN B 142 2.666 8.160 -11.739 1.00 3.13 C ATOM 379 CG GLN B 142 4.021 8.241 -12.414 1.00 43.42 C ATOM 380 CD GLN B 142 3.931 8.530 -13.903 1.00 72.43 C ATOM 381 OE1 GLN B 142 2.895 8.048 -14.551 1.00 44.11 O flip ATOM 382 NE2 GLN B 142 4.810 9.161 -14.471 1.00 63.34 N flip ATOM 0 H GLN B 142 3.407 5.948 -10.997 1.00 51.13 H new ATOM 0 HA GLN B 142 3.408 8.435 -9.745 1.00 31.54 H new ATOM 0 HB2 GLN B 142 2.050 7.436 -12.272 1.00 3.13 H new ATOM 0 HB3 GLN B 142 2.170 9.127 -11.828 1.00 3.13 H new ATOM 0 HG2 GLN B 142 4.613 9.020 -11.934 1.00 43.42 H new ATOM 0 HG3 GLN B 142 4.551 7.301 -12.264 1.00 43.42 H new ATOM 0 HE21 GLN B 142 5.602 9.523 -13.940 1.00 63.34 H new ATOM 0 HE22 GLN B 142 4.751 9.326 -15.476 1.00 63.34 H new ATOM 391 N ILE B 143 0.377 7.096 -10.101 1.00 34.31 N ATOM 392 CA ILE B 143 -1.007 7.252 -9.637 1.00 21.53 C ATOM 393 C ILE B 143 -1.147 6.789 -8.202 1.00 1.45 C ATOM 394 O ILE B 143 -2.006 7.281 -7.461 1.00 53.35 O ATOM 395 CB ILE B 143 -2.018 6.539 -10.589 1.00 14.02 C ATOM 396 CG1 ILE B 143 -1.907 5.067 -10.546 1.00 73.10 C ATOM 397 CG2 ILE B 143 -1.698 6.907 -11.992 1.00 44.30 C ATOM 398 CD1 ILE B 143 -2.686 4.300 -9.530 1.00 51.44 C ATOM 0 H ILE B 143 0.527 6.339 -10.768 1.00 34.31 H new ATOM 0 HA ILE B 143 -1.255 8.313 -9.663 1.00 21.53 H new ATOM 0 HB ILE B 143 -3.012 6.849 -10.265 1.00 14.02 H new ATOM 0 HG12 ILE B 143 -2.191 4.689 -11.528 1.00 73.10 H new ATOM 0 HG13 ILE B 143 -0.854 4.823 -10.403 1.00 73.10 H new ATOM 0 HG21 ILE B 143 -2.398 6.414 -12.666 1.00 44.30 H new ATOM 0 HG22 ILE B 143 -1.778 7.987 -12.112 1.00 44.30 H new ATOM 0 HG23 ILE B 143 -0.682 6.590 -12.229 1.00 44.30 H new ATOM 0 HD11 ILE B 143 -2.483 3.235 -9.644 1.00 51.44 H new ATOM 0 HD12 ILE B 143 -2.394 4.620 -8.530 1.00 51.44 H new ATOM 0 HD13 ILE B 143 -3.751 4.484 -9.673 1.00 51.44 H new ATOM 410 N LEU B 144 -0.279 5.838 -7.835 1.00 55.31 N ATOM 411 CA LEU B 144 -0.176 5.290 -6.488 1.00 51.23 C ATOM 412 C LEU B 144 -0.172 6.407 -5.463 1.00 35.13 C ATOM 413 O LEU B 144 -1.119 6.561 -4.715 1.00 44.33 O ATOM 414 CB LEU B 144 1.136 4.514 -6.369 1.00 3.21 C ATOM 415 CG LEU B 144 1.540 4.010 -4.976 1.00 52.24 C ATOM 416 CD1 LEU B 144 0.914 2.707 -4.584 1.00 13.41 C ATOM 417 CD2 LEU B 144 3.022 3.993 -4.820 1.00 24.12 C ATOM 0 H LEU B 144 0.385 5.422 -8.487 1.00 55.31 H new ATOM 0 HA LEU B 144 -1.029 4.637 -6.304 1.00 51.23 H new ATOM 0 HB2 LEU B 144 1.078 3.652 -7.034 1.00 3.21 H new ATOM 0 HB3 LEU B 144 1.938 5.151 -6.741 1.00 3.21 H new ATOM 0 HG LEU B 144 1.131 4.732 -4.270 1.00 52.24 H new ATOM 0 HD11 LEU B 144 1.254 2.426 -3.587 1.00 13.41 H new ATOM 0 HD12 LEU B 144 -0.171 2.811 -4.582 1.00 13.41 H new ATOM 0 HD13 LEU B 144 1.203 1.935 -5.297 1.00 13.41 H new ATOM 0 HD21 LEU B 144 3.279 3.632 -3.824 1.00 24.12 H new ATOM 0 HD22 LEU B 144 3.459 3.333 -5.569 1.00 24.12 H new ATOM 0 HD23 LEU B 144 3.413 5.002 -4.952 1.00 24.12 H new ATOM 429 N GLN B 145 0.849 7.255 -5.530 1.00 62.02 N ATOM 430 CA GLN B 145 1.070 8.283 -4.526 1.00 14.14 C ATOM 431 C GLN B 145 0.017 9.368 -4.579 1.00 53.32 C ATOM 432 O GLN B 145 -0.300 10.006 -3.565 1.00 13.44 O ATOM 433 CB GLN B 145 2.461 8.864 -4.673 1.00 31.14 C ATOM 434 CG GLN B 145 3.565 7.847 -4.447 1.00 35.44 C ATOM 435 CD GLN B 145 3.662 7.320 -3.015 1.00 5.04 C ATOM 436 OE1 GLN B 145 4.077 6.206 -2.790 1.00 4.41 O ATOM 437 NE2 GLN B 145 3.307 8.116 -2.044 1.00 60.40 N ATOM 0 H GLN B 145 1.542 7.247 -6.279 1.00 62.02 H new ATOM 0 HA GLN B 145 0.986 7.814 -3.546 1.00 14.14 H new ATOM 0 HB2 GLN B 145 2.566 9.288 -5.672 1.00 31.14 H new ATOM 0 HB3 GLN B 145 2.581 9.684 -3.965 1.00 31.14 H new ATOM 0 HG2 GLN B 145 3.408 7.004 -5.120 1.00 35.44 H new ATOM 0 HG3 GLN B 145 4.519 8.299 -4.719 1.00 35.44 H new ATOM 0 HE21 GLN B 145 2.959 9.052 -2.253 1.00 60.40 H new ATOM 0 HE22 GLN B 145 3.377 7.802 -1.076 1.00 60.40 H new ATOM 446 N GLU B 146 -0.532 9.555 -5.744 1.00 55.14 N ATOM 447 CA GLU B 146 -1.576 10.540 -5.957 1.00 32.43 C ATOM 448 C GLU B 146 -2.853 10.138 -5.241 1.00 61.02 C ATOM 449 O GLU B 146 -3.467 10.946 -4.543 1.00 62.21 O ATOM 450 CB GLU B 146 -1.836 10.728 -7.437 1.00 61.15 C ATOM 451 CG GLU B 146 -0.631 11.236 -8.186 1.00 73.43 C ATOM 452 CD GLU B 146 -0.153 12.565 -7.662 1.00 74.32 C ATOM 453 OE1 GLU B 146 -0.835 13.573 -7.879 1.00 22.34 O1- ATOM 454 OE2 GLU B 146 0.906 12.611 -7.013 1.00 3.34 O ATOM 0 H GLU B 146 -0.274 9.032 -6.581 1.00 55.14 H new ATOM 0 HA GLU B 146 -1.236 11.489 -5.541 1.00 32.43 H new ATOM 0 HB2 GLU B 146 -2.151 9.778 -7.869 1.00 61.15 H new ATOM 0 HB3 GLU B 146 -2.661 11.428 -7.569 1.00 61.15 H new ATOM 0 HG2 GLU B 146 0.175 10.507 -8.111 1.00 73.43 H new ATOM 0 HG3 GLU B 146 -0.877 11.332 -9.244 1.00 73.43 H new ATOM 461 N ALA B 147 -3.245 8.888 -5.403 1.00 15.44 N ATOM 462 CA ALA B 147 -4.425 8.381 -4.723 1.00 72.45 C ATOM 463 C ALA B 147 -4.111 8.097 -3.256 1.00 11.52 C ATOM 464 O ALA B 147 -4.990 8.171 -2.386 1.00 71.22 O ATOM 465 CB ALA B 147 -4.942 7.131 -5.411 1.00 4.23 C ATOM 0 H ALA B 147 -2.768 8.208 -5.995 1.00 15.44 H new ATOM 0 HA ALA B 147 -5.204 9.142 -4.768 1.00 72.45 H new ATOM 0 HB1 ALA B 147 -5.826 6.766 -4.887 1.00 4.23 H new ATOM 0 HB2 ALA B 147 -5.203 7.365 -6.443 1.00 4.23 H new ATOM 0 HB3 ALA B 147 -4.169 6.362 -5.398 1.00 4.23 H new ATOM 471 N LEU B 148 -2.844 7.815 -2.976 1.00 50.13 N ATOM 472 CA LEU B 148 -2.386 7.508 -1.635 1.00 10.21 C ATOM 473 C LEU B 148 -2.613 8.635 -0.682 1.00 72.25 C ATOM 474 O LEU B 148 -2.779 8.397 0.468 1.00 11.01 O ATOM 475 CB LEU B 148 -0.917 7.140 -1.584 1.00 24.22 C ATOM 476 CG LEU B 148 -0.518 5.708 -1.951 1.00 12.12 C ATOM 477 CD1 LEU B 148 0.989 5.556 -1.868 1.00 75.04 C ATOM 478 CD2 LEU B 148 -1.195 4.698 -1.035 1.00 53.12 C ATOM 0 H LEU B 148 -2.105 7.794 -3.679 1.00 50.13 H new ATOM 0 HA LEU B 148 -2.983 6.647 -1.334 1.00 10.21 H new ATOM 0 HB2 LEU B 148 -0.381 7.816 -2.250 1.00 24.22 H new ATOM 0 HB3 LEU B 148 -0.559 7.337 -0.574 1.00 24.22 H new ATOM 0 HG LEU B 148 -0.846 5.513 -2.972 1.00 12.12 H new ATOM 0 HD11 LEU B 148 1.267 4.535 -2.130 1.00 75.04 H new ATOM 0 HD12 LEU B 148 1.463 6.251 -2.561 1.00 75.04 H new ATOM 0 HD13 LEU B 148 1.321 5.773 -0.853 1.00 75.04 H new ATOM 0 HD21 LEU B 148 -0.893 3.690 -1.319 1.00 53.12 H new ATOM 0 HD22 LEU B 148 -0.900 4.888 -0.003 1.00 53.12 H new ATOM 0 HD23 LEU B 148 -2.277 4.792 -1.126 1.00 53.12 H new ATOM 490 N TRP B 149 -2.610 9.852 -1.155 1.00 72.11 N ATOM 491 CA TRP B 149 -2.887 10.990 -0.293 1.00 73.33 C ATOM 492 C TRP B 149 -4.148 10.779 0.523 1.00 33.51 C ATOM 493 O TRP B 149 -4.179 11.071 1.711 1.00 12.44 O ATOM 494 CB TRP B 149 -3.013 12.255 -1.082 1.00 5.20 C ATOM 495 CG TRP B 149 -1.729 12.867 -1.515 1.00 21.45 C ATOM 496 CD1 TRP B 149 -0.523 12.796 -0.884 1.00 14.14 C ATOM 497 CD2 TRP B 149 -1.537 13.707 -2.648 1.00 64.10 C ATOM 498 NE1 TRP B 149 0.411 13.506 -1.584 1.00 44.31 N ATOM 499 CE2 TRP B 149 -0.189 14.082 -2.668 1.00 41.22 C ATOM 500 CE3 TRP B 149 -2.376 14.163 -3.656 1.00 50.34 C ATOM 501 CZ2 TRP B 149 0.335 14.898 -3.658 1.00 11.41 C ATOM 502 CZ3 TRP B 149 -1.858 14.976 -4.634 1.00 0.00 C ATOM 503 CH2 TRP B 149 -0.516 15.332 -4.631 1.00 21.30 C ATOM 0 H TRP B 149 -2.420 10.090 -2.129 1.00 72.11 H new ATOM 0 HA TRP B 149 -2.040 11.079 0.387 1.00 73.33 H new ATOM 0 HB2 TRP B 149 -3.616 12.053 -1.967 1.00 5.20 H new ATOM 0 HB3 TRP B 149 -3.560 12.984 -0.483 1.00 5.20 H new ATOM 0 HD1 TRP B 149 -0.334 12.258 0.033 1.00 14.14 H new ATOM 0 HE1 TRP B 149 1.397 13.592 -1.337 1.00 44.31 H new ATOM 0 HE3 TRP B 149 -3.419 13.883 -3.671 1.00 50.34 H new ATOM 0 HZ2 TRP B 149 1.378 15.179 -3.659 1.00 11.41 H new ATOM 0 HZ3 TRP B 149 -2.504 15.344 -5.417 1.00 0.00 H new ATOM 0 HH2 TRP B 149 -0.137 15.968 -5.418 1.00 21.30 H new ATOM 514 N ALA B 150 -5.162 10.250 -0.104 1.00 4.41 N ATOM 515 CA ALA B 150 -6.365 9.941 0.595 1.00 55.10 C ATOM 516 C ALA B 150 -6.274 8.542 1.236 1.00 74.03 C ATOM 517 O ALA B 150 -6.573 8.355 2.411 1.00 33.30 O ATOM 518 CB ALA B 150 -7.559 10.028 -0.342 1.00 15.21 C ATOM 0 H ALA B 150 -5.173 10.026 -1.099 1.00 4.41 H new ATOM 0 HA ALA B 150 -6.501 10.672 1.392 1.00 55.10 H new ATOM 0 HB1 ALA B 150 -8.470 9.789 0.207 1.00 15.21 H new ATOM 0 HB2 ALA B 150 -7.632 11.038 -0.745 1.00 15.21 H new ATOM 0 HB3 ALA B 150 -7.432 9.319 -1.160 1.00 15.21 H new ATOM 524 N LEU B 151 -5.795 7.585 0.456 1.00 70.43 N ATOM 525 CA LEU B 151 -5.788 6.158 0.831 1.00 60.43 C ATOM 526 C LEU B 151 -4.738 5.736 1.854 1.00 0.01 C ATOM 527 O LEU B 151 -4.940 4.781 2.583 1.00 1.42 O ATOM 528 CB LEU B 151 -5.676 5.287 -0.399 1.00 30.21 C ATOM 529 CG LEU B 151 -6.953 5.024 -1.193 1.00 35.52 C ATOM 530 CD1 LEU B 151 -7.964 4.285 -0.335 1.00 33.34 C ATOM 531 CD2 LEU B 151 -7.566 6.293 -1.780 1.00 54.11 C ATOM 0 H LEU B 151 -5.395 7.766 -0.464 1.00 70.43 H new ATOM 0 HA LEU B 151 -6.745 6.014 1.333 1.00 60.43 H new ATOM 0 HB2 LEU B 151 -4.950 5.745 -1.071 1.00 30.21 H new ATOM 0 HB3 LEU B 151 -5.265 4.325 -0.094 1.00 30.21 H new ATOM 0 HG LEU B 151 -6.673 4.399 -2.041 1.00 35.52 H new ATOM 0 HD11 LEU B 151 -8.870 4.104 -0.914 1.00 33.34 H new ATOM 0 HD12 LEU B 151 -7.542 3.332 -0.014 1.00 33.34 H new ATOM 0 HD13 LEU B 151 -8.207 4.887 0.541 1.00 33.34 H new ATOM 0 HD21 LEU B 151 -8.471 6.038 -2.332 1.00 54.11 H new ATOM 0 HD22 LEU B 151 -7.815 6.983 -0.974 1.00 54.11 H new ATOM 0 HD23 LEU B 151 -6.850 6.765 -2.453 1.00 54.11 H new ATOM 543 N SER B 152 -3.649 6.429 1.921 1.00 60.31 N ATOM 544 CA SER B 152 -2.569 6.100 2.838 1.00 74.51 C ATOM 545 C SER B 152 -3.053 6.249 4.298 1.00 11.20 C ATOM 546 O SER B 152 -2.527 5.614 5.222 1.00 33.33 O ATOM 547 CB SER B 152 -1.317 6.946 2.494 1.00 21.44 C ATOM 548 OG SER B 152 -0.200 6.657 3.315 1.00 22.11 O ATOM 0 H SER B 152 -3.467 7.249 1.343 1.00 60.31 H new ATOM 0 HA SER B 152 -2.271 5.057 2.727 1.00 74.51 H new ATOM 0 HB2 SER B 152 -1.047 6.774 1.452 1.00 21.44 H new ATOM 0 HB3 SER B 152 -1.565 8.003 2.589 1.00 21.44 H new ATOM 0 HG SER B 152 0.616 6.670 2.773 1.00 22.11 H new ATOM 554 N ASN B 153 -4.124 7.040 4.480 1.00 64.24 N ATOM 555 CA ASN B 153 -4.773 7.224 5.779 1.00 44.31 C ATOM 556 C ASN B 153 -5.360 5.919 6.315 1.00 64.55 C ATOM 557 O ASN B 153 -5.625 5.817 7.508 1.00 64.23 O ATOM 558 CB ASN B 153 -5.868 8.299 5.721 1.00 63.41 C ATOM 559 CG ASN B 153 -5.318 9.699 5.560 1.00 23.31 C ATOM 560 OD1 ASN B 153 -5.100 10.171 4.450 1.00 40.43 O ATOM 561 ND2 ASN B 153 -5.110 10.378 6.655 1.00 50.30 N ATOM 0 H ASN B 153 -4.561 7.569 3.725 1.00 64.24 H new ATOM 0 HA ASN B 153 -3.993 7.557 6.464 1.00 44.31 H new ATOM 0 HB2 ASN B 153 -6.539 8.081 4.890 1.00 63.41 H new ATOM 0 HB3 ASN B 153 -6.464 8.252 6.633 1.00 63.41 H new ATOM 0 HD21 ASN B 153 -4.755 11.333 6.603 1.00 50.30 H new ATOM 0 HD22 ASN B 153 -5.302 9.954 7.562 1.00 50.30 H new ATOM 568 N ILE B 154 -5.564 4.926 5.439 1.00 75.13 N ATOM 569 CA ILE B 154 -6.049 3.606 5.861 1.00 55.41 C ATOM 570 C ILE B 154 -5.028 2.984 6.813 1.00 43.23 C ATOM 571 O ILE B 154 -5.358 2.563 7.916 1.00 31.12 O ATOM 572 CB ILE B 154 -6.238 2.627 4.646 1.00 3.11 C ATOM 573 CG1 ILE B 154 -7.287 3.140 3.639 1.00 50.30 C ATOM 574 CG2 ILE B 154 -6.603 1.216 5.119 1.00 43.33 C ATOM 575 CD1 ILE B 154 -8.700 3.186 4.160 1.00 21.43 C ATOM 0 H ILE B 154 -5.401 5.012 4.436 1.00 75.13 H new ATOM 0 HA ILE B 154 -7.016 3.750 6.343 1.00 55.41 H new ATOM 0 HB ILE B 154 -5.278 2.585 4.131 1.00 3.11 H new ATOM 0 HG12 ILE B 154 -7.001 4.142 3.318 1.00 50.30 H new ATOM 0 HG13 ILE B 154 -7.262 2.503 2.755 1.00 50.30 H new ATOM 0 HG21 ILE B 154 -6.727 0.563 4.255 1.00 43.33 H new ATOM 0 HG22 ILE B 154 -5.808 0.828 5.756 1.00 43.33 H new ATOM 0 HG23 ILE B 154 -7.535 1.251 5.684 1.00 43.33 H new ATOM 0 HD11 ILE B 154 -9.363 3.560 3.380 1.00 21.43 H new ATOM 0 HD12 ILE B 154 -9.013 2.184 4.453 1.00 21.43 H new ATOM 0 HD13 ILE B 154 -8.748 3.848 5.025 1.00 21.43 H new ATOM 587 N ALA B 155 -3.785 2.965 6.377 1.00 10.31 N ATOM 588 CA ALA B 155 -2.721 2.371 7.147 1.00 14.12 C ATOM 589 C ALA B 155 -2.158 3.357 8.164 1.00 64.41 C ATOM 590 O ALA B 155 -1.884 2.992 9.303 1.00 71.04 O ATOM 591 CB ALA B 155 -1.632 1.847 6.228 1.00 41.11 C ATOM 0 H ALA B 155 -3.489 3.359 5.484 1.00 10.31 H new ATOM 0 HA ALA B 155 -3.132 1.529 7.704 1.00 14.12 H new ATOM 0 HB1 ALA B 155 -0.836 1.402 6.824 1.00 41.11 H new ATOM 0 HB2 ALA B 155 -2.050 1.094 5.561 1.00 41.11 H new ATOM 0 HB3 ALA B 155 -1.227 2.669 5.638 1.00 41.11 H new ATOM 597 N SER B 156 -2.019 4.616 7.759 1.00 4.52 N ATOM 598 CA SER B 156 -1.460 5.638 8.629 1.00 54.22 C ATOM 599 C SER B 156 -2.401 5.931 9.813 1.00 33.11 C ATOM 600 O SER B 156 -1.955 6.295 10.897 1.00 31.14 O ATOM 601 CB SER B 156 -1.125 6.913 7.832 1.00 51.15 C ATOM 602 OG SER B 156 -0.501 7.905 8.648 1.00 71.21 O ATOM 0 H SER B 156 -2.287 4.950 6.833 1.00 4.52 H new ATOM 0 HA SER B 156 -0.526 5.260 9.046 1.00 54.22 H new ATOM 0 HB2 SER B 156 -0.466 6.659 7.002 1.00 51.15 H new ATOM 0 HB3 SER B 156 -2.039 7.321 7.400 1.00 51.15 H new ATOM 0 HG SER B 156 -0.303 8.697 8.106 1.00 71.21 H new ATOM 608 N GLY B 157 -3.679 5.747 9.598 1.00 64.35 N ATOM 609 CA GLY B 157 -4.648 5.894 10.651 1.00 65.32 C ATOM 610 C GLY B 157 -5.279 4.562 10.883 1.00 30.23 C ATOM 611 O GLY B 157 -6.506 4.423 10.953 1.00 41.22 O ATOM 0 H GLY B 157 -4.074 5.492 8.693 1.00 64.35 H new ATOM 0 HA2 GLY B 157 -4.170 6.253 11.562 1.00 65.32 H new ATOM 0 HA3 GLY B 157 -5.402 6.631 10.375 1.00 65.32 H new ATOM 615 N GLY B 158 -4.438 3.573 10.953 1.00 4.51 N ATOM 616 CA GLY B 158 -4.883 2.236 11.038 1.00 1.13 C ATOM 617 C GLY B 158 -5.251 1.792 12.422 1.00 32.24 C ATOM 618 O GLY B 158 -4.380 1.479 13.235 1.00 23.13 O ATOM 0 H GLY B 158 -3.424 3.683 10.952 1.00 4.51 H new ATOM 0 HA2 GLY B 158 -5.749 2.112 10.388 1.00 1.13 H new ATOM 0 HA3 GLY B 158 -4.101 1.581 10.655 1.00 1.13 H new ATOM 622 N ASN B 159 -6.523 1.797 12.701 1.00 23.14 N ATOM 623 CA ASN B 159 -7.036 1.204 13.920 1.00 4.32 C ATOM 624 C ASN B 159 -8.215 0.327 13.563 1.00 43.12 C ATOM 625 O ASN B 159 -8.147 -0.888 13.642 1.00 73.44 O ATOM 626 CB ASN B 159 -7.439 2.265 14.971 1.00 41.53 C ATOM 627 CG ASN B 159 -7.923 1.636 16.287 1.00 73.54 C ATOM 628 OD1 ASN B 159 -7.126 1.341 17.175 1.00 53.51 O ATOM 629 ND2 ASN B 159 -9.211 1.456 16.437 1.00 13.35 N ATOM 0 H ASN B 159 -7.237 2.208 12.099 1.00 23.14 H new ATOM 0 HA ASN B 159 -6.245 0.610 14.378 1.00 4.32 H new ATOM 0 HB2 ASN B 159 -6.586 2.913 15.174 1.00 41.53 H new ATOM 0 HB3 ASN B 159 -8.228 2.896 14.562 1.00 41.53 H new ATOM 0 HD21 ASN B 159 -9.573 1.063 17.306 1.00 13.35 H new ATOM 0 HD22 ASN B 159 -9.852 1.709 15.685 1.00 13.35 H new ATOM 636 N GLU B 160 -9.254 0.951 13.087 1.00 61.13 N ATOM 637 CA GLU B 160 -10.477 0.269 12.712 1.00 44.33 C ATOM 638 C GLU B 160 -10.387 -0.182 11.248 1.00 21.45 C ATOM 639 O GLU B 160 -10.636 -1.339 10.921 1.00 55.12 O ATOM 640 CB GLU B 160 -11.635 1.235 12.930 1.00 21.44 C ATOM 641 CG GLU B 160 -13.010 0.731 12.575 1.00 75.15 C ATOM 642 CD GLU B 160 -14.046 1.807 12.780 1.00 34.45 C ATOM 643 OE1 GLU B 160 -14.594 1.921 13.904 1.00 5.33 O ATOM 644 OE2 GLU B 160 -14.325 2.573 11.836 1.00 51.14 O1- ATOM 0 H GLU B 160 -9.284 1.960 12.943 1.00 61.13 H new ATOM 0 HA GLU B 160 -10.634 -0.622 13.319 1.00 44.33 H new ATOM 0 HB2 GLU B 160 -11.640 1.529 13.980 1.00 21.44 H new ATOM 0 HB3 GLU B 160 -11.441 2.136 12.348 1.00 21.44 H new ATOM 0 HG2 GLU B 160 -13.024 0.400 11.536 1.00 75.15 H new ATOM 0 HG3 GLU B 160 -13.254 -0.136 13.189 1.00 75.15 H new ATOM 651 N GLN B 161 -9.965 0.734 10.382 1.00 55.22 N ATOM 652 CA GLN B 161 -9.813 0.468 8.939 1.00 4.24 C ATOM 653 C GLN B 161 -8.688 -0.525 8.664 1.00 2.21 C ATOM 654 O GLN B 161 -8.647 -1.170 7.627 1.00 4.14 O ATOM 655 CB GLN B 161 -9.543 1.770 8.176 1.00 73.31 C ATOM 656 CG GLN B 161 -10.694 2.757 8.215 1.00 74.15 C ATOM 657 CD GLN B 161 -11.940 2.202 7.563 1.00 63.34 C ATOM 658 OE1 GLN B 161 -12.769 1.569 8.208 1.00 30.32 O ATOM 659 NE2 GLN B 161 -12.082 2.428 6.293 1.00 71.32 N ATOM 0 H GLN B 161 -9.716 1.686 10.652 1.00 55.22 H new ATOM 0 HA GLN B 161 -10.749 0.031 8.592 1.00 4.24 H new ATOM 0 HB2 GLN B 161 -8.655 2.246 8.593 1.00 73.31 H new ATOM 0 HB3 GLN B 161 -9.318 1.530 7.137 1.00 73.31 H new ATOM 0 HG2 GLN B 161 -10.913 3.018 9.250 1.00 74.15 H new ATOM 0 HG3 GLN B 161 -10.400 3.677 7.710 1.00 74.15 H new ATOM 0 HE21 GLN B 161 -11.373 2.958 5.787 1.00 71.32 H new ATOM 0 HE22 GLN B 161 -12.903 2.075 5.801 1.00 71.32 H new ATOM 668 N LYS B 162 -7.811 -0.664 9.627 1.00 0.01 N ATOM 669 CA LYS B 162 -6.609 -1.476 9.513 1.00 53.04 C ATOM 670 C LYS B 162 -6.915 -2.972 9.304 1.00 54.42 C ATOM 671 O LYS B 162 -6.098 -3.697 8.791 1.00 41.24 O ATOM 672 CB LYS B 162 -5.704 -1.213 10.729 1.00 52.24 C ATOM 673 CG LYS B 162 -4.327 -1.842 10.700 1.00 72.31 C ATOM 674 CD LYS B 162 -3.513 -1.313 11.865 1.00 53.42 C ATOM 675 CE LYS B 162 -3.903 -1.908 13.213 1.00 52.21 C ATOM 676 NZ LYS B 162 -3.490 -3.316 13.344 1.00 22.01 N1+ ATOM 0 H LYS B 162 -7.908 -0.209 10.535 1.00 0.01 H new ATOM 0 HA LYS B 162 -6.073 -1.179 8.612 1.00 53.04 H new ATOM 0 HB2 LYS B 162 -5.584 -0.135 10.837 1.00 52.24 H new ATOM 0 HB3 LYS B 162 -6.221 -1.567 11.621 1.00 52.24 H new ATOM 0 HG2 LYS B 162 -4.408 -2.927 10.761 1.00 72.31 H new ATOM 0 HG3 LYS B 162 -3.829 -1.612 9.758 1.00 72.31 H new ATOM 0 HD2 LYS B 162 -2.458 -1.517 11.681 1.00 53.42 H new ATOM 0 HD3 LYS B 162 -3.625 -0.230 11.911 1.00 53.42 H new ATOM 0 HE2 LYS B 162 -3.447 -1.322 14.011 1.00 52.21 H new ATOM 0 HE3 LYS B 162 -4.983 -1.835 13.341 1.00 52.21 H new ATOM 0 HZ1 LYS B 162 -3.151 -3.490 14.312 1.00 22.01 H new ATOM 0 HZ2 LYS B 162 -4.301 -3.936 13.145 1.00 22.01 H new ATOM 0 HZ3 LYS B 162 -2.726 -3.518 12.668 1.00 22.01 H new ATOM 690 N GLN B 163 -8.110 -3.403 9.661 1.00 45.04 N ATOM 691 CA GLN B 163 -8.521 -4.816 9.519 1.00 54.43 C ATOM 692 C GLN B 163 -8.646 -5.223 8.035 1.00 43.34 C ATOM 693 O GLN B 163 -8.413 -6.383 7.654 1.00 51.54 O ATOM 694 CB GLN B 163 -9.874 -5.006 10.185 1.00 0.44 C ATOM 695 CG GLN B 163 -11.009 -4.255 9.488 1.00 12.45 C ATOM 696 CD GLN B 163 -12.322 -4.334 10.232 1.00 32.52 C ATOM 697 OE1 GLN B 163 -12.611 -5.323 10.902 1.00 71.21 O ATOM 698 NE2 GLN B 163 -13.117 -3.304 10.138 1.00 35.45 N ATOM 0 H GLN B 163 -8.831 -2.800 10.057 1.00 45.04 H new ATOM 0 HA GLN B 163 -7.760 -5.439 9.988 1.00 54.43 H new ATOM 0 HB2 GLN B 163 -10.113 -6.069 10.207 1.00 0.44 H new ATOM 0 HB3 GLN B 163 -9.810 -4.672 11.221 1.00 0.44 H new ATOM 0 HG2 GLN B 163 -10.727 -3.209 9.373 1.00 12.45 H new ATOM 0 HG3 GLN B 163 -11.142 -4.661 8.485 1.00 12.45 H new ATOM 0 HE21 GLN B 163 -12.845 -2.500 9.573 1.00 35.45 H new ATOM 0 HE22 GLN B 163 -14.011 -3.303 10.630 1.00 35.45 H new ATOM 707 N ALA B 164 -8.964 -4.245 7.227 1.00 52.32 N ATOM 708 CA ALA B 164 -9.302 -4.401 5.826 1.00 30.11 C ATOM 709 C ALA B 164 -8.154 -4.874 5.021 1.00 13.35 C ATOM 710 O ALA B 164 -8.299 -5.664 4.133 1.00 74.41 O ATOM 711 CB ALA B 164 -9.636 -3.060 5.309 1.00 12.31 C ATOM 0 H ALA B 164 -8.997 -3.274 7.536 1.00 52.32 H new ATOM 0 HA ALA B 164 -10.114 -5.124 5.751 1.00 30.11 H new ATOM 0 HB1 ALA B 164 -9.898 -3.132 4.253 1.00 12.31 H new ATOM 0 HB2 ALA B 164 -10.481 -2.656 5.866 1.00 12.31 H new ATOM 0 HB3 ALA B 164 -8.776 -2.400 5.426 1.00 12.31 H new ATOM 717 N VAL B 165 -7.016 -4.376 5.352 1.00 3.02 N ATOM 718 CA VAL B 165 -5.829 -4.554 4.564 1.00 13.21 C ATOM 719 C VAL B 165 -5.411 -6.033 4.509 1.00 2.43 C ATOM 720 O VAL B 165 -4.944 -6.518 3.482 1.00 61.00 O ATOM 721 CB VAL B 165 -4.700 -3.654 5.119 1.00 33.10 C ATOM 722 CG1 VAL B 165 -5.247 -2.288 5.354 1.00 41.13 C ATOM 723 CG2 VAL B 165 -4.251 -4.137 6.419 1.00 41.10 C ATOM 0 H VAL B 165 -6.872 -3.820 6.195 1.00 3.02 H new ATOM 0 HA VAL B 165 -6.035 -4.253 3.537 1.00 13.21 H new ATOM 0 HB VAL B 165 -3.880 -3.658 4.401 1.00 33.10 H new ATOM 0 HG11 VAL B 165 -4.460 -1.643 5.746 1.00 41.13 H new ATOM 0 HG12 VAL B 165 -5.618 -1.878 4.415 1.00 41.13 H new ATOM 0 HG13 VAL B 165 -6.064 -2.342 6.074 1.00 41.13 H new ATOM 0 HG21 VAL B 165 -3.457 -3.491 6.793 1.00 41.10 H new ATOM 0 HG22 VAL B 165 -5.086 -4.127 7.119 1.00 41.10 H new ATOM 0 HG23 VAL B 165 -3.874 -5.155 6.319 1.00 41.10 H new ATOM 733 N LYS B 166 -5.669 -6.755 5.597 1.00 72.33 N ATOM 734 CA LYS B 166 -5.341 -8.165 5.675 1.00 62.53 C ATOM 735 C LYS B 166 -6.299 -8.908 4.761 1.00 61.12 C ATOM 736 O LYS B 166 -5.928 -9.810 4.025 1.00 13.14 O ATOM 737 CB LYS B 166 -5.498 -8.720 7.114 1.00 64.02 C ATOM 738 CG LYS B 166 -4.682 -8.036 8.224 1.00 21.20 C ATOM 739 CD LYS B 166 -5.257 -6.683 8.651 1.00 51.32 C ATOM 740 CE LYS B 166 -4.677 -6.234 9.989 1.00 50.03 C ATOM 741 NZ LYS B 166 -5.129 -7.075 11.126 1.00 65.44 N1+ ATOM 0 H LYS B 166 -6.107 -6.379 6.438 1.00 72.33 H new ATOM 0 HA LYS B 166 -4.301 -8.301 5.379 1.00 62.53 H new ATOM 0 HB2 LYS B 166 -6.552 -8.662 7.385 1.00 64.02 H new ATOM 0 HB3 LYS B 166 -5.230 -9.776 7.100 1.00 64.02 H new ATOM 0 HG2 LYS B 166 -4.638 -8.694 9.091 1.00 21.20 H new ATOM 0 HG3 LYS B 166 -3.658 -7.895 7.878 1.00 21.20 H new ATOM 0 HD2 LYS B 166 -5.039 -5.935 7.888 1.00 51.32 H new ATOM 0 HD3 LYS B 166 -6.342 -6.754 8.727 1.00 51.32 H new ATOM 0 HE2 LYS B 166 -3.589 -6.260 9.935 1.00 50.03 H new ATOM 0 HE3 LYS B 166 -4.962 -5.198 10.174 1.00 50.03 H new ATOM 0 HZ1 LYS B 166 -4.952 -6.574 12.020 1.00 65.44 H new ATOM 0 HZ2 LYS B 166 -6.147 -7.267 11.032 1.00 65.44 H new ATOM 0 HZ3 LYS B 166 -4.605 -7.973 11.123 1.00 65.44 H new ATOM 755 N GLU B 167 -7.518 -8.445 4.780 1.00 75.44 N ATOM 756 CA GLU B 167 -8.588 -8.968 4.028 1.00 33.13 C ATOM 757 C GLU B 167 -8.469 -8.647 2.545 1.00 4.33 C ATOM 758 O GLU B 167 -8.899 -9.421 1.688 1.00 61.22 O ATOM 759 CB GLU B 167 -9.849 -8.418 4.630 1.00 35.41 C ATOM 760 CG GLU B 167 -10.481 -9.391 5.571 1.00 14.32 C ATOM 761 CD GLU B 167 -10.782 -10.707 4.907 1.00 71.10 C ATOM 762 OE1 GLU B 167 -11.892 -10.849 4.333 1.00 34.35 O ATOM 763 OE2 GLU B 167 -9.919 -11.623 4.948 1.00 51.30 O1- ATOM 0 H GLU B 167 -7.790 -7.649 5.357 1.00 75.44 H new ATOM 0 HA GLU B 167 -8.586 -10.057 4.073 1.00 33.13 H new ATOM 0 HB2 GLU B 167 -9.626 -7.492 5.160 1.00 35.41 H new ATOM 0 HB3 GLU B 167 -10.553 -8.169 3.836 1.00 35.41 H new ATOM 0 HG2 GLU B 167 -9.817 -9.557 6.420 1.00 14.32 H new ATOM 0 HG3 GLU B 167 -11.403 -8.966 5.966 1.00 14.32 H new ATOM 770 N ALA B 168 -7.865 -7.530 2.259 1.00 51.34 N ATOM 771 CA ALA B 168 -7.658 -7.068 0.914 1.00 12.43 C ATOM 772 C ALA B 168 -6.493 -7.791 0.246 1.00 34.44 C ATOM 773 O ALA B 168 -6.389 -7.811 -0.983 1.00 25.22 O ATOM 774 CB ALA B 168 -7.422 -5.574 0.930 1.00 40.11 C ATOM 0 H ALA B 168 -7.494 -6.900 2.970 1.00 51.34 H new ATOM 0 HA ALA B 168 -8.551 -7.289 0.329 1.00 12.43 H new ATOM 0 HB1 ALA B 168 -7.264 -5.220 -0.089 1.00 40.11 H new ATOM 0 HB2 ALA B 168 -8.290 -5.073 1.358 1.00 40.11 H new ATOM 0 HB3 ALA B 168 -6.541 -5.351 1.532 1.00 40.11 H new ATOM 780 N GLY B 169 -5.628 -8.370 1.043 1.00 34.33 N ATOM 781 CA GLY B 169 -4.502 -9.092 0.501 1.00 34.02 C ATOM 782 C GLY B 169 -3.275 -8.217 0.399 1.00 4.54 C ATOM 783 O GLY B 169 -2.474 -8.369 -0.516 1.00 31.44 O ATOM 0 H GLY B 169 -5.681 -8.356 2.062 1.00 34.33 H new ATOM 0 HA2 GLY B 169 -4.284 -9.953 1.133 1.00 34.02 H new ATOM 0 HA3 GLY B 169 -4.758 -9.477 -0.486 1.00 34.02 H new ATOM 787 N ALA B 170 -3.112 -7.322 1.372 1.00 35.41 N ATOM 788 CA ALA B 170 -2.017 -6.353 1.403 1.00 34.41 C ATOM 789 C ALA B 170 -0.648 -7.007 1.375 1.00 73.04 C ATOM 790 O ALA B 170 0.297 -6.393 0.935 1.00 1.24 O ATOM 791 CB ALA B 170 -2.155 -5.436 2.598 1.00 13.24 C ATOM 0 H ALA B 170 -3.743 -7.248 2.170 1.00 35.41 H new ATOM 0 HA ALA B 170 -2.093 -5.761 0.491 1.00 34.41 H new ATOM 0 HB1 ALA B 170 -1.332 -4.721 2.605 1.00 13.24 H new ATOM 0 HB2 ALA B 170 -3.101 -4.899 2.537 1.00 13.24 H new ATOM 0 HB3 ALA B 170 -2.131 -6.026 3.514 1.00 13.24 H new ATOM 797 N LEU B 171 -0.564 -8.263 1.809 1.00 61.22 N ATOM 798 CA LEU B 171 0.697 -9.020 1.799 1.00 71.22 C ATOM 799 C LEU B 171 1.332 -9.044 0.400 1.00 54.15 C ATOM 800 O LEU B 171 2.503 -8.679 0.225 1.00 23.24 O ATOM 801 CB LEU B 171 0.464 -10.456 2.268 1.00 35.44 C ATOM 802 CG LEU B 171 -0.058 -10.633 3.690 1.00 71.12 C ATOM 803 CD1 LEU B 171 -0.278 -12.091 3.988 1.00 70.51 C ATOM 804 CD2 LEU B 171 0.892 -10.028 4.703 1.00 11.20 C ATOM 0 H LEU B 171 -1.359 -8.786 2.176 1.00 61.22 H new ATOM 0 HA LEU B 171 1.380 -8.516 2.482 1.00 71.22 H new ATOM 0 HB2 LEU B 171 -0.242 -10.927 1.585 1.00 35.44 H new ATOM 0 HB3 LEU B 171 1.404 -11.000 2.180 1.00 35.44 H new ATOM 0 HG LEU B 171 -1.010 -10.108 3.766 1.00 71.12 H new ATOM 0 HD11 LEU B 171 -0.651 -12.202 5.006 1.00 70.51 H new ATOM 0 HD12 LEU B 171 -1.007 -12.499 3.288 1.00 70.51 H new ATOM 0 HD13 LEU B 171 0.664 -12.629 3.886 1.00 70.51 H new ATOM 0 HD21 LEU B 171 0.492 -10.170 5.707 1.00 11.20 H new ATOM 0 HD22 LEU B 171 1.864 -10.516 4.627 1.00 11.20 H new ATOM 0 HD23 LEU B 171 1.005 -8.962 4.505 1.00 11.20 H new ATOM 816 N GLU B 172 0.546 -9.429 -0.588 1.00 61.41 N ATOM 817 CA GLU B 172 1.034 -9.547 -1.956 1.00 12.34 C ATOM 818 C GLU B 172 1.091 -8.177 -2.630 1.00 12.03 C ATOM 819 O GLU B 172 1.959 -7.916 -3.450 1.00 11.21 O ATOM 820 CB GLU B 172 0.147 -10.506 -2.762 1.00 22.42 C ATOM 821 CG GLU B 172 -1.299 -10.056 -2.866 1.00 4.33 C ATOM 822 CD GLU B 172 -2.157 -10.996 -3.638 1.00 14.33 C ATOM 823 OE1 GLU B 172 -2.187 -10.905 -4.881 1.00 61.51 O ATOM 824 OE2 GLU B 172 -2.846 -11.815 -3.020 1.00 71.05 O1- ATOM 0 H GLU B 172 -0.439 -9.667 -0.471 1.00 61.41 H new ATOM 0 HA GLU B 172 2.045 -9.954 -1.924 1.00 12.34 H new ATOM 0 HB2 GLU B 172 0.559 -10.611 -3.766 1.00 22.42 H new ATOM 0 HB3 GLU B 172 0.179 -11.492 -2.299 1.00 22.42 H new ATOM 0 HG2 GLU B 172 -1.709 -9.942 -1.863 1.00 4.33 H new ATOM 0 HG3 GLU B 172 -1.333 -9.074 -3.338 1.00 4.33 H new ATOM 831 N LYS B 173 0.180 -7.298 -2.242 1.00 75.52 N ATOM 832 CA LYS B 173 0.078 -5.969 -2.806 1.00 52.14 C ATOM 833 C LYS B 173 1.303 -5.153 -2.418 1.00 13.42 C ATOM 834 O LYS B 173 1.801 -4.333 -3.193 1.00 22.05 O ATOM 835 CB LYS B 173 -1.182 -5.324 -2.265 1.00 52.11 C ATOM 836 CG LYS B 173 -2.444 -6.146 -2.518 1.00 23.24 C ATOM 837 CD LYS B 173 -2.832 -6.205 -3.976 1.00 32.34 C ATOM 838 CE LYS B 173 -3.953 -7.194 -4.211 1.00 65.44 C ATOM 839 NZ LYS B 173 -4.301 -7.313 -5.638 1.00 43.00 N1+ ATOM 0 H LYS B 173 -0.514 -7.493 -1.520 1.00 75.52 H new ATOM 0 HA LYS B 173 0.030 -6.016 -3.894 1.00 52.14 H new ATOM 0 HB2 LYS B 173 -1.069 -5.168 -1.192 1.00 52.11 H new ATOM 0 HB3 LYS B 173 -1.301 -4.341 -2.720 1.00 52.11 H new ATOM 0 HG2 LYS B 173 -2.290 -7.160 -2.148 1.00 23.24 H new ATOM 0 HG3 LYS B 173 -3.268 -5.720 -1.946 1.00 23.24 H new ATOM 0 HD2 LYS B 173 -3.142 -5.215 -4.312 1.00 32.34 H new ATOM 0 HD3 LYS B 173 -1.965 -6.487 -4.573 1.00 32.34 H new ATOM 0 HE2 LYS B 173 -3.659 -8.171 -3.828 1.00 65.44 H new ATOM 0 HE3 LYS B 173 -4.833 -6.883 -3.649 1.00 65.44 H new ATOM 0 HZ1 LYS B 173 -4.792 -8.215 -5.802 1.00 43.00 H new ATOM 0 HZ2 LYS B 173 -4.924 -6.526 -5.910 1.00 43.00 H new ATOM 0 HZ3 LYS B 173 -3.433 -7.282 -6.211 1.00 43.00 H new ATOM 853 N LEU B 174 1.781 -5.425 -1.222 1.00 32.33 N ATOM 854 CA LEU B 174 2.966 -4.819 -0.664 1.00 44.15 C ATOM 855 C LEU B 174 4.143 -5.188 -1.567 1.00 4.04 C ATOM 856 O LEU B 174 4.880 -4.329 -2.017 1.00 43.44 O ATOM 857 CB LEU B 174 3.161 -5.414 0.742 1.00 22.15 C ATOM 858 CG LEU B 174 3.984 -4.656 1.783 1.00 32.13 C ATOM 859 CD1 LEU B 174 3.936 -5.422 3.078 1.00 13.11 C ATOM 860 CD2 LEU B 174 5.423 -4.462 1.359 1.00 43.15 C ATOM 0 H LEU B 174 1.339 -6.096 -0.593 1.00 32.33 H new ATOM 0 HA LEU B 174 2.888 -3.734 -0.598 1.00 44.15 H new ATOM 0 HB2 LEU B 174 2.170 -5.575 1.166 1.00 22.15 H new ATOM 0 HB3 LEU B 174 3.619 -6.396 0.618 1.00 22.15 H new ATOM 0 HG LEU B 174 3.552 -3.662 1.898 1.00 32.13 H new ATOM 0 HD11 LEU B 174 4.519 -4.896 3.834 1.00 13.11 H new ATOM 0 HD12 LEU B 174 2.902 -5.508 3.412 1.00 13.11 H new ATOM 0 HD13 LEU B 174 4.353 -6.418 2.927 1.00 13.11 H new ATOM 0 HD21 LEU B 174 5.961 -3.918 2.135 1.00 43.15 H new ATOM 0 HD22 LEU B 174 5.891 -5.434 1.206 1.00 43.15 H new ATOM 0 HD23 LEU B 174 5.455 -3.894 0.429 1.00 43.15 H new ATOM 872 N GLU B 175 4.258 -6.484 -1.857 1.00 64.22 N ATOM 873 CA GLU B 175 5.287 -7.049 -2.684 1.00 34.22 C ATOM 874 C GLU B 175 5.323 -6.389 -4.069 1.00 30.54 C ATOM 875 O GLU B 175 6.400 -6.118 -4.610 1.00 40.22 O ATOM 876 CB GLU B 175 4.983 -8.507 -2.848 1.00 31.20 C ATOM 877 CG GLU B 175 6.120 -9.287 -3.372 1.00 63.55 C ATOM 878 CD GLU B 175 5.748 -10.699 -3.659 1.00 72.13 C ATOM 879 OE1 GLU B 175 5.762 -11.526 -2.728 1.00 12.05 O1- ATOM 880 OE2 GLU B 175 5.398 -11.008 -4.819 1.00 5.21 O ATOM 0 H GLU B 175 3.605 -7.183 -1.502 1.00 64.22 H new ATOM 0 HA GLU B 175 6.256 -6.887 -2.212 1.00 34.22 H new ATOM 0 HB2 GLU B 175 4.683 -8.919 -1.884 1.00 31.20 H new ATOM 0 HB3 GLU B 175 4.133 -8.620 -3.521 1.00 31.20 H new ATOM 0 HG2 GLU B 175 6.491 -8.818 -4.284 1.00 63.55 H new ATOM 0 HG3 GLU B 175 6.936 -9.268 -2.649 1.00 63.55 H new ATOM 887 N GLN B 176 4.151 -6.150 -4.625 1.00 53.05 N ATOM 888 CA GLN B 176 4.016 -5.499 -5.916 1.00 51.12 C ATOM 889 C GLN B 176 4.632 -4.122 -5.859 1.00 15.23 C ATOM 890 O GLN B 176 5.406 -3.725 -6.729 1.00 25.45 O ATOM 891 CB GLN B 176 2.562 -5.355 -6.262 1.00 22.05 C ATOM 892 CG GLN B 176 1.792 -6.647 -6.308 1.00 3.54 C ATOM 893 CD GLN B 176 2.278 -7.594 -7.375 1.00 35.11 C ATOM 894 OE1 GLN B 176 3.155 -8.425 -7.132 1.00 25.33 O ATOM 895 NE2 GLN B 176 1.731 -7.479 -8.553 1.00 12.14 N ATOM 0 H GLN B 176 3.262 -6.402 -4.193 1.00 53.05 H new ATOM 0 HA GLN B 176 4.521 -6.104 -6.669 1.00 51.12 H new ATOM 0 HB2 GLN B 176 2.093 -4.695 -5.532 1.00 22.05 H new ATOM 0 HB3 GLN B 176 2.481 -4.866 -7.233 1.00 22.05 H new ATOM 0 HG2 GLN B 176 1.862 -7.138 -5.337 1.00 3.54 H new ATOM 0 HG3 GLN B 176 0.738 -6.428 -6.479 1.00 3.54 H new ATOM 0 HE21 GLN B 176 1.008 -6.778 -8.713 1.00 12.14 H new ATOM 0 HE22 GLN B 176 2.026 -8.090 -9.314 1.00 12.14 H new ATOM 904 N LEU B 177 4.301 -3.402 -4.815 1.00 55.23 N ATOM 905 CA LEU B 177 4.827 -2.067 -4.618 1.00 50.03 C ATOM 906 C LEU B 177 6.293 -2.093 -4.237 1.00 2.24 C ATOM 907 O LEU B 177 6.998 -1.120 -4.387 1.00 11.31 O ATOM 908 CB LEU B 177 4.014 -1.297 -3.603 1.00 4.33 C ATOM 909 CG LEU B 177 4.339 0.169 -3.498 1.00 13.40 C ATOM 910 CD1 LEU B 177 4.137 0.816 -4.851 1.00 11.02 C ATOM 911 CD2 LEU B 177 3.475 0.834 -2.438 1.00 54.44 C ATOM 0 H LEU B 177 3.666 -3.718 -4.082 1.00 55.23 H new ATOM 0 HA LEU B 177 4.746 -1.546 -5.572 1.00 50.03 H new ATOM 0 HB2 LEU B 177 2.958 -1.401 -3.853 1.00 4.33 H new ATOM 0 HB3 LEU B 177 4.157 -1.755 -2.624 1.00 4.33 H new ATOM 0 HG LEU B 177 5.379 0.293 -3.196 1.00 13.40 H new ATOM 0 HD11 LEU B 177 4.370 1.879 -4.785 1.00 11.02 H new ATOM 0 HD12 LEU B 177 4.795 0.345 -5.581 1.00 11.02 H new ATOM 0 HD13 LEU B 177 3.100 0.691 -5.163 1.00 11.02 H new ATOM 0 HD21 LEU B 177 3.725 1.893 -2.377 1.00 54.44 H new ATOM 0 HD22 LEU B 177 2.424 0.724 -2.704 1.00 54.44 H new ATOM 0 HD23 LEU B 177 3.656 0.362 -1.472 1.00 54.44 H new ATOM 923 N GLN B 178 6.737 -3.194 -3.729 1.00 31.43 N ATOM 924 CA GLN B 178 8.166 -3.393 -3.429 1.00 34.22 C ATOM 925 C GLN B 178 9.028 -3.398 -4.687 1.00 43.53 C ATOM 926 O GLN B 178 10.224 -3.135 -4.628 1.00 33.40 O ATOM 927 CB GLN B 178 8.414 -4.631 -2.577 1.00 22.20 C ATOM 928 CG GLN B 178 7.977 -4.446 -1.142 1.00 63.12 C ATOM 929 CD GLN B 178 8.816 -3.406 -0.419 1.00 52.34 C ATOM 930 OE1 GLN B 178 8.515 -2.211 -0.448 1.00 3.53 O ATOM 931 NE2 GLN B 178 9.852 -3.848 0.245 1.00 12.22 N ATOM 0 H GLN B 178 6.145 -3.993 -3.501 1.00 31.43 H new ATOM 0 HA GLN B 178 8.472 -2.531 -2.835 1.00 34.22 H new ATOM 0 HB2 GLN B 178 7.881 -5.478 -3.009 1.00 22.20 H new ATOM 0 HB3 GLN B 178 9.476 -4.877 -2.601 1.00 22.20 H new ATOM 0 HG2 GLN B 178 6.929 -4.146 -1.118 1.00 63.12 H new ATOM 0 HG3 GLN B 178 8.048 -5.398 -0.616 1.00 63.12 H new ATOM 0 HE21 GLN B 178 10.070 -4.844 0.246 1.00 12.22 H new ATOM 0 HE22 GLN B 178 10.442 -3.196 0.762 1.00 12.22 H new ATOM 940 N SER B 179 8.402 -3.622 -5.827 1.00 11.02 N ATOM 941 CA SER B 179 9.074 -3.569 -7.116 1.00 25.41 C ATOM 942 C SER B 179 9.131 -2.104 -7.624 1.00 10.24 C ATOM 943 O SER B 179 9.289 -1.841 -8.817 1.00 40.01 O ATOM 944 CB SER B 179 8.316 -4.457 -8.101 1.00 32.12 C ATOM 945 OG SER B 179 8.216 -5.783 -7.599 1.00 64.32 O ATOM 0 H SER B 179 7.409 -3.847 -5.888 1.00 11.02 H new ATOM 0 HA SER B 179 10.097 -3.932 -7.020 1.00 25.41 H new ATOM 0 HB2 SER B 179 7.319 -4.051 -8.274 1.00 32.12 H new ATOM 0 HB3 SER B 179 8.829 -4.463 -9.063 1.00 32.12 H new ATOM 0 HG SER B 179 7.726 -6.339 -8.240 1.00 64.32 H new ATOM 951 N HIS B 180 8.997 -1.181 -6.693 1.00 24.01 N ATOM 952 CA HIS B 180 9.060 0.258 -6.942 1.00 14.12 C ATOM 953 C HIS B 180 10.427 0.684 -7.449 1.00 13.51 C ATOM 954 O HIS B 180 11.454 0.101 -7.076 1.00 60.24 O ATOM 955 CB HIS B 180 8.732 1.056 -5.637 1.00 1.42 C ATOM 956 CG HIS B 180 9.622 0.742 -4.430 1.00 74.51 C ATOM 957 ND1 HIS B 180 9.182 0.023 -3.346 1.00 63.40 N ATOM 958 CD2 HIS B 180 10.909 1.069 -4.147 1.00 44.44 C ATOM 959 CE1 HIS B 180 10.146 -0.081 -2.456 1.00 71.54 C ATOM 960 NE2 HIS B 180 11.205 0.543 -2.918 1.00 34.33 N ATOM 0 H HIS B 180 8.836 -1.411 -5.712 1.00 24.01 H new ATOM 0 HA HIS B 180 8.319 0.480 -7.710 1.00 14.12 H new ATOM 0 HB2 HIS B 180 8.808 2.121 -5.855 1.00 1.42 H new ATOM 0 HB3 HIS B 180 7.695 0.860 -5.363 1.00 1.42 H new ATOM 0 HD1 HIS B 180 8.247 -0.372 -3.245 1.00 63.40 H new ATOM 0 HD2 HIS B 180 11.577 1.639 -4.776 1.00 44.44 H new ATOM 0 HE1 HIS B 180 10.078 -0.592 -1.507 1.00 71.54 H new ATOM 969 N GLU B 181 10.437 1.684 -8.272 1.00 2.23 N ATOM 970 CA GLU B 181 11.657 2.301 -8.690 1.00 3.54 C ATOM 971 C GLU B 181 11.917 3.449 -7.737 1.00 21.45 C ATOM 972 O GLU B 181 13.053 3.693 -7.323 1.00 41.00 O ATOM 973 CB GLU B 181 11.571 2.816 -10.129 1.00 22.41 C ATOM 974 CG GLU B 181 11.436 1.735 -11.188 1.00 21.45 C ATOM 975 CD GLU B 181 11.405 2.311 -12.585 1.00 4.11 C ATOM 976 OE1 GLU B 181 12.419 2.870 -13.040 1.00 34.25 O1- ATOM 977 OE2 GLU B 181 10.356 2.250 -13.253 1.00 21.44 O ATOM 0 H GLU B 181 9.596 2.098 -8.675 1.00 2.23 H new ATOM 0 HA GLU B 181 12.468 1.573 -8.670 1.00 3.54 H new ATOM 0 HB2 GLU B 181 10.718 3.490 -10.208 1.00 22.41 H new ATOM 0 HB3 GLU B 181 12.463 3.404 -10.343 1.00 22.41 H new ATOM 0 HG2 GLU B 181 12.269 1.037 -11.102 1.00 21.45 H new ATOM 0 HG3 GLU B 181 10.524 1.166 -11.010 1.00 21.45 H new ATOM 984 N ASN B 182 10.835 4.112 -7.337 1.00 1.10 N ATOM 985 CA ASN B 182 10.917 5.245 -6.415 1.00 51.53 C ATOM 986 C ASN B 182 11.070 4.732 -5.050 1.00 31.02 C ATOM 987 O ASN B 182 10.245 3.988 -4.522 1.00 72.11 O ATOM 988 CB ASN B 182 9.704 6.165 -6.518 1.00 70.24 C ATOM 989 CG ASN B 182 9.881 7.519 -5.835 1.00 71.13 C ATOM 990 OD1 ASN B 182 10.615 7.656 -4.860 1.00 53.24 O ATOM 991 ND2 ASN B 182 9.207 8.523 -6.339 1.00 41.44 N ATOM 0 H ASN B 182 9.887 3.884 -7.637 1.00 1.10 H new ATOM 0 HA ASN B 182 11.783 5.850 -6.685 1.00 51.53 H new ATOM 0 HB2 ASN B 182 9.476 6.330 -7.571 1.00 70.24 H new ATOM 0 HB3 ASN B 182 8.842 5.661 -6.081 1.00 70.24 H new ATOM 0 HD21 ASN B 182 9.284 9.450 -5.921 1.00 41.44 H new ATOM 0 HD22 ASN B 182 8.605 8.378 -7.150 1.00 41.44 H new ATOM 998 N GLU B 183 12.104 5.181 -4.488 1.00 21.41 N ATOM 999 CA GLU B 183 12.564 4.762 -3.255 1.00 75.53 C ATOM 1000 C GLU B 183 11.718 5.340 -2.125 1.00 53.13 C ATOM 1001 O GLU B 183 11.548 4.711 -1.096 1.00 62.23 O ATOM 1002 CB GLU B 183 13.977 5.218 -3.180 1.00 4.41 C ATOM 1003 CG GLU B 183 14.154 6.703 -2.939 1.00 71.12 C ATOM 1004 CD GLU B 183 15.575 7.118 -3.065 1.00 70.35 C ATOM 1005 OE1 GLU B 183 16.093 7.171 -4.193 1.00 74.32 O ATOM 1006 OE2 GLU B 183 16.214 7.387 -2.039 1.00 10.34 O1- ATOM 0 H GLU B 183 12.690 5.901 -4.910 1.00 21.41 H new ATOM 0 HA GLU B 183 12.495 3.680 -3.144 1.00 75.53 H new ATOM 0 HB2 GLU B 183 14.478 4.672 -2.380 1.00 4.41 H new ATOM 0 HB3 GLU B 183 14.479 4.953 -4.110 1.00 4.41 H new ATOM 0 HG2 GLU B 183 13.548 7.262 -3.652 1.00 71.12 H new ATOM 0 HG3 GLU B 183 13.789 6.956 -1.944 1.00 71.12 H new ATOM 1013 N LYS B 184 11.127 6.509 -2.363 1.00 31.52 N ATOM 1014 CA LYS B 184 10.342 7.194 -1.354 1.00 55.01 C ATOM 1015 C LYS B 184 9.053 6.426 -1.110 1.00 72.22 C ATOM 1016 O LYS B 184 8.459 6.468 -0.032 1.00 13.24 O ATOM 1017 CB LYS B 184 10.019 8.625 -1.801 1.00 13.15 C ATOM 1018 CG LYS B 184 11.240 9.499 -2.067 1.00 23.11 C ATOM 1019 CD LYS B 184 12.079 9.681 -0.815 1.00 51.20 C ATOM 1020 CE LYS B 184 13.264 10.600 -1.067 1.00 41.21 C ATOM 1021 NZ LYS B 184 14.077 10.790 0.152 1.00 13.42 N1+ ATOM 0 H LYS B 184 11.181 7.000 -3.255 1.00 31.52 H new ATOM 0 HA LYS B 184 10.920 7.244 -0.431 1.00 55.01 H new ATOM 0 HB2 LYS B 184 9.416 8.581 -2.708 1.00 13.15 H new ATOM 0 HB3 LYS B 184 9.408 9.102 -1.035 1.00 13.15 H new ATOM 0 HG2 LYS B 184 11.848 9.047 -2.851 1.00 23.11 H new ATOM 0 HG3 LYS B 184 10.918 10.473 -2.435 1.00 23.11 H new ATOM 0 HD2 LYS B 184 11.460 10.094 -0.018 1.00 51.20 H new ATOM 0 HD3 LYS B 184 12.437 8.710 -0.471 1.00 51.20 H new ATOM 0 HE2 LYS B 184 13.887 10.182 -1.858 1.00 41.21 H new ATOM 0 HE3 LYS B 184 12.906 11.567 -1.420 1.00 41.21 H new ATOM 0 HZ1 LYS B 184 14.876 11.422 -0.058 1.00 13.42 H new ATOM 0 HZ2 LYS B 184 13.489 11.212 0.899 1.00 13.42 H new ATOM 0 HZ3 LYS B 184 14.439 9.870 0.474 1.00 13.42 H new ATOM 1035 N ILE B 185 8.674 5.685 -2.119 1.00 60.21 N ATOM 1036 CA ILE B 185 7.483 4.887 -2.130 1.00 75.21 C ATOM 1037 C ILE B 185 7.527 3.734 -1.094 1.00 0.43 C ATOM 1038 O ILE B 185 6.479 3.272 -0.621 1.00 60.43 O ATOM 1039 CB ILE B 185 7.228 4.374 -3.578 1.00 72.20 C ATOM 1040 CG1 ILE B 185 6.677 5.537 -4.421 1.00 53.13 C ATOM 1041 CG2 ILE B 185 6.335 3.144 -3.625 1.00 64.03 C ATOM 1042 CD1 ILE B 185 6.299 5.180 -5.833 1.00 52.31 C ATOM 0 H ILE B 185 9.208 5.621 -2.985 1.00 60.21 H new ATOM 0 HA ILE B 185 6.643 5.511 -1.823 1.00 75.21 H new ATOM 0 HB ILE B 185 8.174 4.039 -4.003 1.00 72.20 H new ATOM 0 HG12 ILE B 185 5.800 5.945 -3.919 1.00 53.13 H new ATOM 0 HG13 ILE B 185 7.425 6.329 -4.451 1.00 53.13 H new ATOM 0 HG21 ILE B 185 6.195 2.835 -4.661 1.00 64.03 H new ATOM 0 HG22 ILE B 185 6.802 2.334 -3.065 1.00 64.03 H new ATOM 0 HG23 ILE B 185 5.367 3.380 -3.183 1.00 64.03 H new ATOM 0 HD11 ILE B 185 5.922 6.066 -6.344 1.00 52.31 H new ATOM 0 HD12 ILE B 185 7.175 4.802 -6.360 1.00 52.31 H new ATOM 0 HD13 ILE B 185 5.525 4.412 -5.820 1.00 52.31 H new ATOM 1054 N GLN B 186 8.741 3.326 -0.692 1.00 51.04 N ATOM 1055 CA GLN B 186 8.919 2.209 0.250 1.00 13.34 C ATOM 1056 C GLN B 186 8.115 2.407 1.534 1.00 43.21 C ATOM 1057 O GLN B 186 7.499 1.487 2.030 1.00 14.42 O ATOM 1058 CB GLN B 186 10.389 2.003 0.617 1.00 3.31 C ATOM 1059 CG GLN B 186 11.016 3.084 1.505 1.00 30.13 C ATOM 1060 CD GLN B 186 12.432 2.778 1.949 1.00 33.34 C ATOM 1061 OE1 GLN B 186 12.766 1.514 2.091 1.00 41.14 O flip ATOM 1062 NE2 GLN B 186 13.226 3.690 2.174 1.00 12.44 N flip ATOM 0 H GLN B 186 9.613 3.752 -1.004 1.00 51.04 H new ATOM 0 HA GLN B 186 8.550 1.324 -0.267 1.00 13.34 H new ATOM 0 HB2 GLN B 186 10.486 1.043 1.124 1.00 3.31 H new ATOM 0 HB3 GLN B 186 10.967 1.937 -0.304 1.00 3.31 H new ATOM 0 HG2 GLN B 186 11.013 4.030 0.963 1.00 30.13 H new ATOM 0 HG3 GLN B 186 10.392 3.220 2.388 1.00 30.13 H new ATOM 0 HE21 GLN B 186 12.935 4.660 2.054 1.00 12.44 H new ATOM 0 HE22 GLN B 186 14.175 3.476 2.480 1.00 12.44 H new ATOM 1071 N LYS B 187 8.118 3.629 2.009 1.00 22.52 N ATOM 1072 CA LYS B 187 7.465 4.032 3.259 1.00 74.33 C ATOM 1073 C LYS B 187 5.971 3.681 3.240 1.00 72.42 C ATOM 1074 O LYS B 187 5.405 3.319 4.260 1.00 44.24 O ATOM 1075 CB LYS B 187 7.665 5.550 3.474 1.00 51.52 C ATOM 1076 CG LYS B 187 7.773 6.021 4.947 1.00 61.53 C ATOM 1077 CD LYS B 187 6.515 5.816 5.795 1.00 22.21 C ATOM 1078 CE LYS B 187 5.326 6.583 5.242 1.00 31.44 C ATOM 1079 NZ LYS B 187 4.172 6.583 6.174 1.00 31.33 N1+ ATOM 0 H LYS B 187 8.584 4.402 1.533 1.00 22.52 H new ATOM 0 HA LYS B 187 7.920 3.487 4.086 1.00 74.33 H new ATOM 0 HB2 LYS B 187 8.570 5.855 2.949 1.00 51.52 H new ATOM 0 HB3 LYS B 187 6.833 6.076 3.006 1.00 51.52 H new ATOM 0 HG2 LYS B 187 8.600 5.492 5.420 1.00 61.53 H new ATOM 0 HG3 LYS B 187 8.027 7.081 4.954 1.00 61.53 H new ATOM 0 HD2 LYS B 187 6.274 4.754 5.836 1.00 22.21 H new ATOM 0 HD3 LYS B 187 6.711 6.138 6.818 1.00 22.21 H new ATOM 0 HE2 LYS B 187 5.624 7.611 5.036 1.00 31.44 H new ATOM 0 HE3 LYS B 187 5.023 6.143 4.292 1.00 31.44 H new ATOM 0 HZ1 LYS B 187 3.307 6.838 5.656 1.00 31.33 H new ATOM 0 HZ2 LYS B 187 4.061 5.636 6.589 1.00 31.33 H new ATOM 0 HZ3 LYS B 187 4.338 7.275 6.932 1.00 31.33 H new ATOM 1093 N GLU B 188 5.355 3.744 2.075 1.00 1.40 N ATOM 1094 CA GLU B 188 3.931 3.478 1.968 1.00 41.11 C ATOM 1095 C GLU B 188 3.682 1.968 2.042 1.00 55.30 C ATOM 1096 O GLU B 188 2.723 1.505 2.670 1.00 1.32 O ATOM 1097 CB GLU B 188 3.378 4.054 0.668 1.00 0.21 C ATOM 1098 CG GLU B 188 3.757 5.514 0.425 1.00 71.14 C ATOM 1099 CD GLU B 188 3.380 6.449 1.551 1.00 11.41 C ATOM 1100 OE1 GLU B 188 2.169 6.690 1.788 1.00 31.44 O ATOM 1101 OE2 GLU B 188 4.298 7.010 2.190 1.00 62.41 O1- ATOM 0 H GLU B 188 5.814 3.975 1.194 1.00 1.40 H new ATOM 0 HA GLU B 188 3.414 3.961 2.797 1.00 41.11 H new ATOM 0 HB2 GLU B 188 3.738 3.452 -0.166 1.00 0.21 H new ATOM 0 HB3 GLU B 188 2.291 3.968 0.678 1.00 0.21 H new ATOM 0 HG2 GLU B 188 4.833 5.576 0.262 1.00 71.14 H new ATOM 0 HG3 GLU B 188 3.275 5.855 -0.492 1.00 71.14 H new ATOM 1108 N ALA B 189 4.580 1.210 1.433 1.00 22.15 N ATOM 1109 CA ALA B 189 4.527 -0.246 1.463 1.00 34.34 C ATOM 1110 C ALA B 189 4.804 -0.733 2.884 1.00 10.01 C ATOM 1111 O ALA B 189 4.059 -1.549 3.440 1.00 70.11 O ATOM 1112 CB ALA B 189 5.549 -0.820 0.490 1.00 52.44 C ATOM 0 H ALA B 189 5.367 1.585 0.903 1.00 22.15 H new ATOM 0 HA ALA B 189 3.536 -0.584 1.161 1.00 34.34 H new ATOM 0 HB1 ALA B 189 5.505 -1.909 0.517 1.00 52.44 H new ATOM 0 HB2 ALA B 189 5.326 -0.472 -0.519 1.00 52.44 H new ATOM 0 HB3 ALA B 189 6.548 -0.490 0.775 1.00 52.44 H new ATOM 1118 N GLN B 190 5.862 -0.178 3.480 1.00 64.45 N ATOM 1119 CA GLN B 190 6.275 -0.482 4.843 1.00 73.23 C ATOM 1120 C GLN B 190 5.223 -0.068 5.860 1.00 61.30 C ATOM 1121 O GLN B 190 5.207 -0.581 6.981 1.00 21.21 O ATOM 1122 CB GLN B 190 7.588 0.213 5.157 1.00 2.33 C ATOM 1123 CG GLN B 190 8.734 -0.245 4.288 1.00 20.12 C ATOM 1124 CD GLN B 190 9.991 0.568 4.508 1.00 2.31 C ATOM 1125 OE1 GLN B 190 9.933 1.748 4.846 1.00 32.22 O ATOM 1126 NE2 GLN B 190 11.124 -0.036 4.298 1.00 62.14 N ATOM 0 H GLN B 190 6.462 0.505 3.018 1.00 64.45 H new ATOM 0 HA GLN B 190 6.402 -1.562 4.912 1.00 73.23 H new ATOM 0 HB2 GLN B 190 7.459 1.289 5.037 1.00 2.33 H new ATOM 0 HB3 GLN B 190 7.842 0.037 6.202 1.00 2.33 H new ATOM 0 HG2 GLN B 190 8.944 -1.295 4.493 1.00 20.12 H new ATOM 0 HG3 GLN B 190 8.441 -0.177 3.240 1.00 20.12 H new ATOM 0 HE21 GLN B 190 11.135 -1.017 4.018 1.00 62.14 H new ATOM 0 HE22 GLN B 190 12.001 0.471 4.413 1.00 62.14 H new ATOM 1135 N GLU B 191 4.362 0.855 5.474 1.00 20.43 N ATOM 1136 CA GLU B 191 3.300 1.315 6.327 1.00 21.04 C ATOM 1137 C GLU B 191 2.286 0.190 6.528 1.00 11.53 C ATOM 1138 O GLU B 191 2.051 -0.240 7.651 1.00 43.14 O ATOM 1139 CB GLU B 191 2.618 2.543 5.719 1.00 13.23 C ATOM 1140 CG GLU B 191 1.652 3.234 6.653 1.00 73.14 C ATOM 1141 CD GLU B 191 2.351 3.821 7.844 1.00 25.30 C ATOM 1142 OE1 GLU B 191 2.576 3.111 8.831 1.00 14.54 O1- ATOM 1143 OE2 GLU B 191 2.708 5.013 7.808 1.00 63.00 O ATOM 0 H GLU B 191 4.386 1.303 4.558 1.00 20.43 H new ATOM 0 HA GLU B 191 3.717 1.601 7.293 1.00 21.04 H new ATOM 0 HB2 GLU B 191 3.383 3.256 5.411 1.00 13.23 H new ATOM 0 HB3 GLU B 191 2.084 2.241 4.818 1.00 13.23 H new ATOM 0 HG2 GLU B 191 1.127 4.023 6.114 1.00 73.14 H new ATOM 0 HG3 GLU B 191 0.898 2.522 6.989 1.00 73.14 H new ATOM 1150 N ALA B 192 1.733 -0.321 5.424 1.00 12.05 N ATOM 1151 CA ALA B 192 0.739 -1.410 5.487 1.00 52.44 C ATOM 1152 C ALA B 192 1.368 -2.659 6.083 1.00 63.31 C ATOM 1153 O ALA B 192 0.716 -3.387 6.825 1.00 62.12 O ATOM 1154 CB ALA B 192 0.157 -1.717 4.094 1.00 12.11 C ATOM 0 H ALA B 192 1.951 -0.004 4.479 1.00 12.05 H new ATOM 0 HA ALA B 192 -0.080 -1.083 6.128 1.00 52.44 H new ATOM 0 HB1 ALA B 192 -0.572 -2.523 4.174 1.00 12.11 H new ATOM 0 HB2 ALA B 192 -0.330 -0.826 3.699 1.00 12.11 H new ATOM 0 HB3 ALA B 192 0.961 -2.020 3.423 1.00 12.11 H new ATOM 1160 N LEU B 193 2.661 -2.849 5.773 1.00 21.32 N ATOM 1161 CA LEU B 193 3.486 -3.957 6.231 1.00 65.15 C ATOM 1162 C LEU B 193 3.346 -4.093 7.716 1.00 0.51 C ATOM 1163 O LEU B 193 2.869 -5.093 8.234 1.00 31.01 O ATOM 1164 CB LEU B 193 4.945 -3.591 5.885 1.00 24.10 C ATOM 1165 CG LEU B 193 6.045 -4.643 6.047 1.00 35.55 C ATOM 1166 CD1 LEU B 193 7.201 -4.312 5.116 1.00 41.22 C ATOM 1167 CD2 LEU B 193 6.559 -4.603 7.459 1.00 3.03 C ATOM 0 H LEU B 193 3.172 -2.203 5.171 1.00 21.32 H new ATOM 0 HA LEU B 193 3.191 -4.896 5.763 1.00 65.15 H new ATOM 0 HB2 LEU B 193 4.961 -3.259 4.847 1.00 24.10 H new ATOM 0 HB3 LEU B 193 5.221 -2.733 6.498 1.00 24.10 H new ATOM 0 HG LEU B 193 5.640 -5.627 5.813 1.00 35.55 H new ATOM 0 HD11 LEU B 193 7.986 -5.060 5.230 1.00 41.22 H new ATOM 0 HD12 LEU B 193 6.848 -4.310 4.085 1.00 41.22 H new ATOM 0 HD13 LEU B 193 7.599 -3.328 5.365 1.00 41.22 H new ATOM 0 HD21 LEU B 193 7.343 -5.350 7.582 1.00 3.03 H new ATOM 0 HD22 LEU B 193 6.964 -3.613 7.671 1.00 3.03 H new ATOM 0 HD23 LEU B 193 5.743 -4.817 8.149 1.00 3.03 H new ATOM 1179 N GLU B 194 3.737 -3.045 8.347 1.00 32.42 N ATOM 1180 CA GLU B 194 3.757 -2.852 9.684 1.00 1.13 C ATOM 1181 C GLU B 194 2.400 -3.036 10.319 1.00 25.31 C ATOM 1182 O GLU B 194 2.190 -3.892 11.180 1.00 45.10 O ATOM 1183 CB GLU B 194 4.141 -1.425 9.765 1.00 42.50 C ATOM 1184 CG GLU B 194 4.075 -0.928 11.110 1.00 61.52 C ATOM 1185 CD GLU B 194 4.608 0.443 11.278 1.00 43.35 C ATOM 1186 OE1 GLU B 194 5.814 0.672 11.034 1.00 73.13 O ATOM 1187 OE2 GLU B 194 3.854 1.321 11.684 1.00 14.30 O1- ATOM 0 H GLU B 194 4.084 -2.228 7.844 1.00 32.42 H new ATOM 0 HA GLU B 194 4.413 -3.553 10.200 1.00 1.13 H new ATOM 0 HB2 GLU B 194 5.153 -1.299 9.381 1.00 42.50 H new ATOM 0 HB3 GLU B 194 3.482 -0.835 9.127 1.00 42.50 H new ATOM 0 HG2 GLU B 194 3.037 -0.945 11.441 1.00 61.52 H new ATOM 0 HG3 GLU B 194 4.629 -1.603 11.762 1.00 61.52 H new ATOM 1194 N LYS B 195 1.522 -2.222 9.860 1.00 35.45 N ATOM 1195 CA LYS B 195 0.226 -2.065 10.358 1.00 0.22 C ATOM 1196 C LYS B 195 -0.622 -3.339 10.357 1.00 34.32 C ATOM 1197 O LYS B 195 -1.385 -3.568 11.304 1.00 24.42 O ATOM 1198 CB LYS B 195 -0.440 -0.939 9.602 1.00 52.22 C ATOM 1199 CG LYS B 195 0.106 0.466 9.891 1.00 23.11 C ATOM 1200 CD LYS B 195 -0.014 0.819 11.365 1.00 42.32 C ATOM 1201 CE LYS B 195 0.306 2.286 11.642 1.00 61.10 C ATOM 1202 NZ LYS B 195 1.674 2.684 11.241 1.00 34.23 N1+ ATOM 0 H LYS B 195 1.715 -1.608 9.069 1.00 35.45 H new ATOM 0 HA LYS B 195 0.309 -1.819 11.417 1.00 0.22 H new ATOM 0 HB2 LYS B 195 -0.343 -1.135 8.534 1.00 52.22 H new ATOM 0 HB3 LYS B 195 -1.505 -0.950 9.833 1.00 52.22 H new ATOM 0 HG2 LYS B 195 1.151 0.521 9.587 1.00 23.11 H new ATOM 0 HG3 LYS B 195 -0.438 1.199 9.295 1.00 23.11 H new ATOM 0 HD2 LYS B 195 -1.026 0.600 11.707 1.00 42.32 H new ATOM 0 HD3 LYS B 195 0.661 0.188 11.943 1.00 42.32 H new ATOM 0 HE2 LYS B 195 -0.414 2.911 11.114 1.00 61.10 H new ATOM 0 HE3 LYS B 195 0.178 2.482 12.707 1.00 61.10 H new ATOM 0 HZ1 LYS B 195 1.931 3.571 11.718 1.00 34.23 H new ATOM 0 HZ2 LYS B 195 2.346 1.938 11.512 1.00 34.23 H new ATOM 0 HZ3 LYS B 195 1.707 2.823 10.211 1.00 34.23 H new ATOM 1216 N LEU B 196 -0.520 -4.169 9.332 1.00 42.45 N ATOM 1217 CA LEU B 196 -1.310 -5.317 9.292 1.00 65.11 C ATOM 1218 C LEU B 196 -0.744 -6.412 10.162 1.00 32.01 C ATOM 1219 O LEU B 196 -1.496 -7.217 10.724 1.00 22.43 O ATOM 1220 CB LEU B 196 -1.469 -5.791 7.868 1.00 75.42 C ATOM 1221 CG LEU B 196 -0.302 -6.521 7.184 1.00 24.30 C ATOM 1222 CD1 LEU B 196 -0.423 -8.033 7.379 1.00 63.01 C ATOM 1223 CD2 LEU B 196 -0.246 -6.161 5.716 1.00 63.35 C ATOM 0 H LEU B 196 0.107 -4.042 8.537 1.00 42.45 H new ATOM 0 HA LEU B 196 -2.293 -5.063 9.689 1.00 65.11 H new ATOM 0 HB2 LEU B 196 -2.333 -6.455 7.838 1.00 75.42 H new ATOM 0 HB3 LEU B 196 -1.714 -4.921 7.258 1.00 75.42 H new ATOM 0 HG LEU B 196 0.631 -6.200 7.647 1.00 24.30 H new ATOM 0 HD11 LEU B 196 0.413 -8.531 6.887 1.00 63.01 H new ATOM 0 HD12 LEU B 196 -0.408 -8.265 8.444 1.00 63.01 H new ATOM 0 HD13 LEU B 196 -1.360 -8.382 6.945 1.00 63.01 H new ATOM 0 HD21 LEU B 196 0.585 -6.685 5.244 1.00 63.35 H new ATOM 0 HD22 LEU B 196 -1.179 -6.452 5.234 1.00 63.35 H new ATOM 0 HD23 LEU B 196 -0.104 -5.086 5.610 1.00 63.35 H new ATOM 1235 N GLN B 197 0.562 -6.448 10.265 1.00 54.12 N ATOM 1236 CA GLN B 197 1.230 -7.493 10.993 1.00 1.52 C ATOM 1237 C GLN B 197 0.988 -7.389 12.489 1.00 14.31 C ATOM 1238 O GLN B 197 0.801 -6.295 13.030 1.00 23.34 O ATOM 1239 CB GLN B 197 2.719 -7.530 10.694 1.00 12.04 C ATOM 1240 CG GLN B 197 3.048 -7.983 9.287 1.00 14.33 C ATOM 1241 CD GLN B 197 4.529 -7.951 8.994 1.00 33.32 C ATOM 1242 OE1 GLN B 197 5.365 -8.131 9.882 1.00 54.42 O ATOM 1243 NE2 GLN B 197 4.869 -7.716 7.757 1.00 34.25 N ATOM 0 H GLN B 197 1.187 -5.757 9.849 1.00 54.12 H new ATOM 0 HA GLN B 197 0.796 -8.432 10.650 1.00 1.52 H new ATOM 0 HB2 GLN B 197 3.137 -6.536 10.853 1.00 12.04 H new ATOM 0 HB3 GLN B 197 3.206 -8.198 11.404 1.00 12.04 H new ATOM 0 HG2 GLN B 197 2.675 -8.996 9.140 1.00 14.33 H new ATOM 0 HG3 GLN B 197 2.527 -7.345 8.573 1.00 14.33 H new ATOM 0 HE21 GLN B 197 4.149 -7.572 7.049 1.00 34.25 H new ATOM 0 HE22 GLN B 197 5.855 -7.676 7.498 1.00 34.25 H new ATOM 1252 N SER B 198 0.963 -8.518 13.141 1.00 33.54 N ATOM 1253 CA SER B 198 0.769 -8.566 14.559 1.00 12.43 C ATOM 1254 C SER B 198 2.094 -8.395 15.291 1.00 1.54 C ATOM 1255 O SER B 198 3.112 -9.014 14.930 1.00 24.20 O ATOM 1256 CB SER B 198 0.121 -9.890 14.951 1.00 25.00 C ATOM 1257 OG SER B 198 -1.119 -10.060 14.287 1.00 4.45 O ATOM 0 H SER B 198 1.077 -9.431 12.701 1.00 33.54 H new ATOM 0 HA SER B 198 0.110 -7.746 14.846 1.00 12.43 H new ATOM 0 HB2 SER B 198 0.788 -10.715 14.701 1.00 25.00 H new ATOM 0 HB3 SER B 198 -0.032 -9.920 16.030 1.00 25.00 H new ATOM 0 HG SER B 198 -1.517 -10.916 14.551 1.00 4.45 H new ATOM 1263 N HIS B 199 2.084 -7.543 16.272 1.00 64.41 N ATOM 1264 CA HIS B 199 3.212 -7.317 17.140 1.00 72.30 C ATOM 1265 C HIS B 199 2.653 -7.011 18.506 1.00 63.44 C ATOM 1266 O HIS B 199 2.455 -7.951 19.293 1.00 64.51 O ATOM 1267 CB HIS B 199 4.097 -6.153 16.649 1.00 55.12 C ATOM 1268 CG HIS B 199 5.332 -5.933 17.493 1.00 44.44 C ATOM 1269 ND1 HIS B 199 5.391 -5.027 18.525 1.00 1.01 N ATOM 1270 CD2 HIS B 199 6.555 -6.509 17.440 1.00 11.40 C ATOM 1271 CE1 HIS B 199 6.595 -5.052 19.062 1.00 1.32 C ATOM 1272 NE2 HIS B 199 7.315 -5.943 18.425 1.00 12.31 N ATOM 0 H HIS B 199 1.273 -6.969 16.501 1.00 64.41 H new ATOM 0 HA HIS B 199 3.851 -8.200 17.156 1.00 72.30 H new ATOM 0 HB2 HIS B 199 4.400 -6.347 15.620 1.00 55.12 H new ATOM 0 HB3 HIS B 199 3.506 -5.237 16.640 1.00 55.12 H new ATOM 0 HD2 HIS B 199 6.872 -7.275 16.747 1.00 11.40 H new ATOM 0 HE1 HIS B 199 6.931 -4.442 19.887 1.00 1.32 H new ATOM 0 HE2 HIS B 199 8.286 -6.176 18.631 1.00 12.31 H new TER 1281 HIS B 199