USER MOD reduce.3.24.130724 H: found=0, std=0, add=638, rem=0, adj=17 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 178 GLN : amide:sc= -0.102 K(o=-1.5,f=-4.6) USER MOD Set 1.2: B 180 HIS : +bothHN:sc= -1.37 K(o=-1.5,f=-6.3) USER MOD Set 2.1: B 134 GLN : amide:sc= -0.895! C(o=0.36!,f=-18!) USER MOD Set 2.2: B 173 LYS NZ :NH3+ 174:sc= 1.26 (180deg=0) USER MOD Set 3.1: B 117 ASN : amide:sc= 0.0955 K(o=-0.35,f=-0.94) USER MOD Set 3.2: B 119 GLN : amide:sc= -0.446 K(o=-0.35,f=-0.94) USER MOD Single : B 121 GLN : amide:sc= -1.2 K(o=-1.2,f=-5.3!) USER MOD Single : B 137 SER OG : rot -50:sc= -0.75 USER MOD Single : B 138 SER OG : rot -110:sc= -0.558! USER MOD Single : B 140 ASN :FLIP amide:sc= -9.82! C(o=-16!,f=-9.8!) USER MOD Single : B 142 GLN : amide:sc= -0.0644 X(o=-0.064,f=-0.24) USER MOD Single : B 145 GLN :FLIP amide:sc= -3.61! C(o=-4.5!,f=-3.6!) USER MOD Single : B 152 SER OG : rot 18:sc= 1.17 USER MOD Single : B 153 ASN : amide:sc=-0.00326 K(o=-0.0033,f=-0.53) USER MOD Single : B 156 SER OG : rot 63:sc= 1.24 USER MOD Single : B 159 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 161 GLN : amide:sc= 1.27 K(o=1.3,f=-8.2!) USER MOD Single : B 162 LYS NZ :NH3+ 168:sc= -0.0444 (180deg=-0.209) USER MOD Single : B 163 GLN :FLIP amide:sc= -0.0403 F(o=-1.2,f=-0.04) USER MOD Single : B 166 LYS NZ :NH3+ -150:sc= -0.235 (180deg=-1.29!) USER MOD Single : B 176 GLN : amide:sc= -0.109 X(o=-0.11,f=-0.13) USER MOD Single : B 179 SER OG : rot -34:sc= 0.28 USER MOD Single : B 182 ASN : amide:sc= 0.111 K(o=0.11,f=-12!) USER MOD Single : B 184 LYS NZ :NH3+ 152:sc= 1.24 (180deg=0.46) USER MOD Single : B 186 GLN : amide:sc= -0.15 K(o=-0.15,f=-0.95) USER MOD Single : B 187 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0371) USER MOD Single : B 190 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : B 195 LYS NZ :NH3+ -157:sc= 2.35 (180deg=2.05) USER MOD Single : B 197 GLN :FLIP amide:sc= -0.0184 F(o=-1,f=-0.018) USER MOD Single : B 198 SER OG : rot 180:sc= 0 USER MOD Single : B 199 HIS : no HD1:sc=-0.00308 X(o=-0.0031,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY B 116 11.127 14.887 -4.723 1.00 43.50 N ATOM 2 CA GLY B 116 9.708 14.594 -4.585 1.00 51.03 C ATOM 3 C GLY B 116 8.941 15.194 -5.720 1.00 55.12 C ATOM 4 O GLY B 116 9.546 15.663 -6.697 1.00 71.11 O ATOM 0 HA2 GLY B 116 9.553 13.515 -4.563 1.00 51.03 H new ATOM 0 HA3 GLY B 116 9.339 14.989 -3.639 1.00 51.03 H new ATOM 10 N ASN B 117 7.634 15.169 -5.618 1.00 42.41 N ATOM 11 CA ASN B 117 6.745 15.768 -6.600 1.00 13.23 C ATOM 12 C ASN B 117 5.405 15.968 -5.953 1.00 52.13 C ATOM 13 O ASN B 117 4.931 15.084 -5.236 1.00 15.13 O ATOM 14 CB ASN B 117 6.582 14.878 -7.852 1.00 73.32 C ATOM 15 CG ASN B 117 5.669 15.505 -8.917 1.00 54.21 C ATOM 16 OD1 ASN B 117 5.587 16.728 -9.054 1.00 63.23 O ATOM 17 ND2 ASN B 117 4.986 14.683 -9.670 1.00 10.35 N ATOM 0 H ASN B 117 7.145 14.726 -4.840 1.00 42.41 H new ATOM 0 HA ASN B 117 7.173 16.715 -6.928 1.00 13.23 H new ATOM 0 HB2 ASN B 117 7.563 14.689 -8.288 1.00 73.32 H new ATOM 0 HB3 ASN B 117 6.174 13.912 -7.554 1.00 73.32 H new ATOM 0 HD21 ASN B 117 4.366 15.049 -10.393 1.00 10.35 H new ATOM 0 HD22 ASN B 117 5.073 13.676 -9.535 1.00 10.35 H new ATOM 24 N GLU B 118 4.819 17.116 -6.154 1.00 24.14 N ATOM 25 CA GLU B 118 3.516 17.402 -5.610 1.00 20.43 C ATOM 26 C GLU B 118 2.451 16.806 -6.494 1.00 64.51 C ATOM 27 O GLU B 118 2.144 17.331 -7.570 1.00 4.54 O ATOM 28 CB GLU B 118 3.311 18.895 -5.448 1.00 44.13 C ATOM 29 CG GLU B 118 4.253 19.523 -4.451 1.00 15.24 C ATOM 30 CD GLU B 118 4.062 18.983 -3.054 1.00 74.53 C ATOM 31 OE1 GLU B 118 3.210 19.521 -2.308 1.00 53.31 O ATOM 32 OE2 GLU B 118 4.759 18.035 -2.662 1.00 52.43 O1- ATOM 0 H GLU B 118 5.227 17.878 -6.696 1.00 24.14 H new ATOM 0 HA GLU B 118 3.444 16.951 -4.620 1.00 20.43 H new ATOM 0 HB2 GLU B 118 3.442 19.380 -6.416 1.00 44.13 H new ATOM 0 HB3 GLU B 118 2.284 19.082 -5.134 1.00 44.13 H new ATOM 0 HG2 GLU B 118 5.281 19.347 -4.767 1.00 15.24 H new ATOM 0 HG3 GLU B 118 4.102 20.602 -4.443 1.00 15.24 H new ATOM 39 N GLN B 119 1.941 15.689 -6.074 1.00 61.40 N ATOM 40 CA GLN B 119 0.927 14.981 -6.800 1.00 31.52 C ATOM 41 C GLN B 119 -0.048 14.325 -5.824 1.00 32.23 C ATOM 42 O GLN B 119 0.350 13.549 -4.946 1.00 54.13 O ATOM 43 CB GLN B 119 1.572 13.964 -7.763 1.00 41.20 C ATOM 44 CG GLN B 119 2.601 13.056 -7.107 1.00 1.52 C ATOM 45 CD GLN B 119 3.225 12.063 -8.060 1.00 61.52 C ATOM 46 OE1 GLN B 119 3.341 12.301 -9.264 1.00 24.42 O ATOM 47 NE2 GLN B 119 3.668 10.972 -7.529 1.00 12.13 N ATOM 0 H GLN B 119 2.221 15.235 -5.204 1.00 61.40 H new ATOM 0 HA GLN B 119 0.355 15.680 -7.411 1.00 31.52 H new ATOM 0 HB2 GLN B 119 0.788 13.348 -8.203 1.00 41.20 H new ATOM 0 HB3 GLN B 119 2.049 14.505 -8.580 1.00 41.20 H new ATOM 0 HG2 GLN B 119 3.388 13.670 -6.668 1.00 1.52 H new ATOM 0 HG3 GLN B 119 2.126 12.514 -6.289 1.00 1.52 H new ATOM 0 HE21 GLN B 119 3.554 10.809 -6.529 1.00 12.13 H new ATOM 0 HE22 GLN B 119 4.132 10.274 -8.110 1.00 12.13 H new ATOM 56 N ILE B 120 -1.304 14.665 -5.960 1.00 13.15 N ATOM 57 CA ILE B 120 -2.342 14.193 -5.070 1.00 72.34 C ATOM 58 C ILE B 120 -3.681 14.102 -5.801 1.00 63.42 C ATOM 59 O ILE B 120 -4.122 15.067 -6.449 1.00 15.52 O ATOM 60 CB ILE B 120 -2.476 15.101 -3.788 1.00 14.33 C ATOM 61 CG1 ILE B 120 -3.658 14.640 -2.900 1.00 2.13 C ATOM 62 CG2 ILE B 120 -2.595 16.587 -4.154 1.00 74.13 C ATOM 63 CD1 ILE B 120 -3.820 15.422 -1.610 1.00 15.40 C ATOM 0 H ILE B 120 -1.642 15.283 -6.698 1.00 13.15 H new ATOM 0 HA ILE B 120 -2.054 13.196 -4.738 1.00 72.34 H new ATOM 0 HB ILE B 120 -1.560 14.986 -3.209 1.00 14.33 H new ATOM 0 HG12 ILE B 120 -4.580 14.719 -3.476 1.00 2.13 H new ATOM 0 HG13 ILE B 120 -3.523 13.586 -2.656 1.00 2.13 H new ATOM 0 HG21 ILE B 120 -2.685 17.180 -3.244 1.00 74.13 H new ATOM 0 HG22 ILE B 120 -1.707 16.899 -4.703 1.00 74.13 H new ATOM 0 HG23 ILE B 120 -3.478 16.739 -4.775 1.00 74.13 H new ATOM 0 HD11 ILE B 120 -4.671 15.031 -1.052 1.00 15.40 H new ATOM 0 HD12 ILE B 120 -2.916 15.324 -1.009 1.00 15.40 H new ATOM 0 HD13 ILE B 120 -3.990 16.474 -1.841 1.00 15.40 H new ATOM 75 N GLN B 121 -4.299 12.952 -5.722 1.00 31.15 N ATOM 76 CA GLN B 121 -5.592 12.731 -6.327 1.00 74.41 C ATOM 77 C GLN B 121 -6.628 12.462 -5.249 1.00 73.22 C ATOM 78 O GLN B 121 -6.405 12.811 -4.081 1.00 63.31 O ATOM 79 CB GLN B 121 -5.527 11.588 -7.350 1.00 50.23 C ATOM 80 CG GLN B 121 -4.775 11.943 -8.631 1.00 22.34 C ATOM 81 CD GLN B 121 -5.498 12.957 -9.503 1.00 14.12 C ATOM 82 OE1 GLN B 121 -6.246 13.803 -9.023 1.00 73.01 O ATOM 83 NE2 GLN B 121 -5.268 12.890 -10.780 1.00 74.34 N ATOM 0 H GLN B 121 -3.921 12.139 -5.236 1.00 31.15 H new ATOM 0 HA GLN B 121 -5.891 13.629 -6.867 1.00 74.41 H new ATOM 0 HB2 GLN B 121 -5.047 10.726 -6.886 1.00 50.23 H new ATOM 0 HB3 GLN B 121 -6.542 11.287 -7.608 1.00 50.23 H new ATOM 0 HG2 GLN B 121 -3.793 12.337 -8.368 1.00 22.34 H new ATOM 0 HG3 GLN B 121 -4.609 11.033 -9.208 1.00 22.34 H new ATOM 0 HE21 GLN B 121 -4.641 12.175 -11.148 1.00 74.34 H new ATOM 0 HE22 GLN B 121 -5.715 13.553 -11.414 1.00 74.34 H new ATOM 92 N ALA B 122 -7.768 11.907 -5.644 1.00 41.21 N ATOM 93 CA ALA B 122 -8.871 11.587 -4.735 1.00 24.13 C ATOM 94 C ALA B 122 -8.408 10.764 -3.547 1.00 2.40 C ATOM 95 O ALA B 122 -7.910 9.641 -3.704 1.00 73.44 O ATOM 96 CB ALA B 122 -9.955 10.836 -5.473 1.00 72.12 C ATOM 0 H ALA B 122 -7.958 11.662 -6.616 1.00 41.21 H new ATOM 0 HA ALA B 122 -9.263 12.532 -4.359 1.00 24.13 H new ATOM 0 HB1 ALA B 122 -10.769 10.604 -4.786 1.00 72.12 H new ATOM 0 HB2 ALA B 122 -10.333 11.452 -6.289 1.00 72.12 H new ATOM 0 HB3 ALA B 122 -9.546 9.910 -5.877 1.00 72.12 H new ATOM 102 N VAL B 123 -8.572 11.318 -2.380 1.00 32.32 N ATOM 103 CA VAL B 123 -8.189 10.661 -1.170 1.00 1.33 C ATOM 104 C VAL B 123 -9.417 10.003 -0.517 1.00 40.25 C ATOM 105 O VAL B 123 -10.158 10.618 0.252 1.00 2.34 O ATOM 106 CB VAL B 123 -7.404 11.626 -0.195 1.00 22.10 C ATOM 107 CG1 VAL B 123 -8.159 12.923 0.087 1.00 31.50 C ATOM 108 CG2 VAL B 123 -7.030 10.930 1.104 1.00 61.11 C ATOM 0 H VAL B 123 -8.978 12.244 -2.244 1.00 32.32 H new ATOM 0 HA VAL B 123 -7.484 9.865 -1.411 1.00 1.33 H new ATOM 0 HB VAL B 123 -6.485 11.896 -0.716 1.00 22.10 H new ATOM 0 HG11 VAL B 123 -7.572 13.546 0.762 1.00 31.50 H new ATOM 0 HG12 VAL B 123 -8.325 13.458 -0.848 1.00 31.50 H new ATOM 0 HG13 VAL B 123 -9.119 12.692 0.549 1.00 31.50 H new ATOM 0 HG21 VAL B 123 -6.492 11.626 1.748 1.00 61.11 H new ATOM 0 HG22 VAL B 123 -7.935 10.593 1.610 1.00 61.11 H new ATOM 0 HG23 VAL B 123 -6.395 10.071 0.887 1.00 61.11 H new ATOM 118 N ILE B 124 -9.669 8.775 -0.904 1.00 62.51 N ATOM 119 CA ILE B 124 -10.813 8.042 -0.402 1.00 71.11 C ATOM 120 C ILE B 124 -10.556 7.479 0.998 1.00 0.30 C ATOM 121 O ILE B 124 -9.636 6.687 1.216 1.00 33.21 O ATOM 122 CB ILE B 124 -11.302 6.929 -1.386 1.00 52.55 C ATOM 123 CG1 ILE B 124 -10.173 5.927 -1.726 1.00 73.02 C ATOM 124 CG2 ILE B 124 -11.859 7.567 -2.658 1.00 35.02 C ATOM 125 CD1 ILE B 124 -10.606 4.776 -2.621 1.00 64.21 C ATOM 0 H ILE B 124 -9.095 8.257 -1.569 1.00 62.51 H new ATOM 0 HA ILE B 124 -11.626 8.764 -0.325 1.00 71.11 H new ATOM 0 HB ILE B 124 -12.094 6.366 -0.892 1.00 52.55 H new ATOM 0 HG12 ILE B 124 -9.360 6.465 -2.214 1.00 73.02 H new ATOM 0 HG13 ILE B 124 -9.773 5.519 -0.798 1.00 73.02 H new ATOM 0 HG21 ILE B 124 -12.198 6.786 -3.339 1.00 35.02 H new ATOM 0 HG22 ILE B 124 -12.698 8.215 -2.403 1.00 35.02 H new ATOM 0 HG23 ILE B 124 -11.079 8.156 -3.141 1.00 35.02 H new ATOM 0 HD11 ILE B 124 -9.755 4.122 -2.810 1.00 64.21 H new ATOM 0 HD12 ILE B 124 -11.397 4.210 -2.129 1.00 64.21 H new ATOM 0 HD13 ILE B 124 -10.977 5.170 -3.567 1.00 64.21 H new ATOM 137 N ASP B 125 -11.348 7.929 1.933 1.00 72.44 N ATOM 138 CA ASP B 125 -11.255 7.517 3.321 1.00 72.14 C ATOM 139 C ASP B 125 -12.631 7.498 3.946 1.00 42.52 C ATOM 140 O ASP B 125 -13.159 8.532 4.366 1.00 35.22 O ATOM 141 CB ASP B 125 -10.305 8.434 4.113 1.00 54.42 C ATOM 142 CG ASP B 125 -10.363 8.220 5.622 1.00 62.03 C ATOM 143 OD1 ASP B 125 -9.863 7.196 6.121 1.00 71.31 O ATOM 144 OD2 ASP B 125 -10.889 9.114 6.338 1.00 52.23 O1- ATOM 0 H ASP B 125 -12.092 8.604 1.756 1.00 72.44 H new ATOM 0 HA ASP B 125 -10.840 6.510 3.354 1.00 72.14 H new ATOM 0 HB2 ASP B 125 -9.284 8.267 3.770 1.00 54.42 H new ATOM 0 HB3 ASP B 125 -10.550 9.473 3.893 1.00 54.42 H new ATOM 149 N ALA B 126 -13.234 6.336 3.938 1.00 42.32 N ATOM 150 CA ALA B 126 -14.554 6.114 4.494 1.00 24.12 C ATOM 151 C ALA B 126 -14.813 4.630 4.532 1.00 75.33 C ATOM 152 O ALA B 126 -14.985 3.997 3.475 1.00 30.15 O ATOM 153 CB ALA B 126 -15.631 6.811 3.659 1.00 5.20 C ATOM 0 H ALA B 126 -12.815 5.497 3.537 1.00 42.32 H new ATOM 0 HA ALA B 126 -14.593 6.533 5.500 1.00 24.12 H new ATOM 0 HB1 ALA B 126 -16.610 6.626 4.101 1.00 5.20 H new ATOM 0 HB2 ALA B 126 -15.438 7.884 3.639 1.00 5.20 H new ATOM 0 HB3 ALA B 126 -15.612 6.420 2.642 1.00 5.20 H new ATOM 159 N GLY B 127 -14.785 4.066 5.713 1.00 40.01 N ATOM 160 CA GLY B 127 -15.008 2.649 5.868 1.00 12.24 C ATOM 161 C GLY B 127 -13.818 1.844 5.389 1.00 34.14 C ATOM 162 O GLY B 127 -12.690 2.366 5.328 1.00 44.31 O ATOM 0 H GLY B 127 -14.610 4.567 6.584 1.00 40.01 H new ATOM 0 HA2 GLY B 127 -15.203 2.423 6.916 1.00 12.24 H new ATOM 0 HA3 GLY B 127 -15.896 2.356 5.308 1.00 12.24 H new ATOM 166 N ALA B 128 -14.050 0.599 5.039 1.00 63.14 N ATOM 167 CA ALA B 128 -12.999 -0.259 4.559 1.00 40.55 C ATOM 168 C ALA B 128 -13.503 -1.115 3.414 1.00 61.14 C ATOM 169 O ALA B 128 -14.622 -1.638 3.468 1.00 12.21 O ATOM 170 CB ALA B 128 -12.472 -1.130 5.684 1.00 63.33 C ATOM 0 H ALA B 128 -14.969 0.158 5.080 1.00 63.14 H new ATOM 0 HA ALA B 128 -12.181 0.362 4.193 1.00 40.55 H new ATOM 0 HB1 ALA B 128 -11.678 -1.773 5.305 1.00 63.33 H new ATOM 0 HB2 ALA B 128 -12.078 -0.498 6.480 1.00 63.33 H new ATOM 0 HB3 ALA B 128 -13.281 -1.746 6.077 1.00 63.33 H new ATOM 176 N LEU B 129 -12.701 -1.224 2.383 1.00 55.53 N ATOM 177 CA LEU B 129 -13.002 -2.006 1.200 1.00 45.21 C ATOM 178 C LEU B 129 -11.693 -2.176 0.441 1.00 33.52 C ATOM 179 O LEU B 129 -10.846 -1.293 0.526 1.00 22.43 O ATOM 180 CB LEU B 129 -14.067 -1.309 0.285 1.00 71.14 C ATOM 181 CG LEU B 129 -13.671 0.006 -0.448 1.00 72.10 C ATOM 182 CD1 LEU B 129 -14.758 0.401 -1.430 1.00 71.02 C ATOM 183 CD2 LEU B 129 -13.429 1.159 0.524 1.00 45.41 C ATOM 0 H LEU B 129 -11.794 -0.759 2.339 1.00 55.53 H new ATOM 0 HA LEU B 129 -13.429 -2.965 1.493 1.00 45.21 H new ATOM 0 HB2 LEU B 129 -14.376 -2.030 -0.472 1.00 71.14 H new ATOM 0 HB3 LEU B 129 -14.942 -1.096 0.899 1.00 71.14 H new ATOM 0 HG LEU B 129 -12.738 -0.190 -0.976 1.00 72.10 H new ATOM 0 HD11 LEU B 129 -14.472 1.322 -1.938 1.00 71.02 H new ATOM 0 HD12 LEU B 129 -14.890 -0.393 -2.165 1.00 71.02 H new ATOM 0 HD13 LEU B 129 -15.694 0.558 -0.893 1.00 71.02 H new ATOM 0 HD21 LEU B 129 -13.156 2.054 -0.034 1.00 45.41 H new ATOM 0 HD22 LEU B 129 -14.338 1.351 1.095 1.00 45.41 H new ATOM 0 HD23 LEU B 129 -12.621 0.896 1.206 1.00 45.41 H new ATOM 195 N PRO B 130 -11.492 -3.285 -0.307 1.00 0.32 N ATOM 196 CA PRO B 130 -10.244 -3.557 -1.052 1.00 63.11 C ATOM 197 C PRO B 130 -9.754 -2.429 -1.935 1.00 21.50 C ATOM 198 O PRO B 130 -8.576 -2.364 -2.208 1.00 1.14 O ATOM 199 CB PRO B 130 -10.592 -4.763 -1.897 1.00 74.52 C ATOM 200 CG PRO B 130 -11.583 -5.480 -1.070 1.00 3.43 C ATOM 201 CD PRO B 130 -12.441 -4.397 -0.486 1.00 14.32 C ATOM 0 HA PRO B 130 -9.421 -3.702 -0.352 1.00 63.11 H new ATOM 0 HB2 PRO B 130 -11.008 -4.472 -2.862 1.00 74.52 H new ATOM 0 HB3 PRO B 130 -9.716 -5.379 -2.100 1.00 74.52 H new ATOM 0 HG2 PRO B 130 -12.173 -6.173 -1.670 1.00 3.43 H new ATOM 0 HG3 PRO B 130 -11.098 -6.066 -0.289 1.00 3.43 H new ATOM 0 HD2 PRO B 130 -13.259 -4.126 -1.153 1.00 14.32 H new ATOM 0 HD3 PRO B 130 -12.889 -4.702 0.460 1.00 14.32 H new ATOM 209 N ALA B 131 -10.641 -1.536 -2.357 1.00 12.31 N ATOM 210 CA ALA B 131 -10.257 -0.396 -3.201 1.00 41.31 C ATOM 211 C ALA B 131 -9.100 0.412 -2.594 1.00 3.12 C ATOM 212 O ALA B 131 -8.273 0.945 -3.316 1.00 52.45 O ATOM 213 CB ALA B 131 -11.450 0.497 -3.501 1.00 12.14 C ATOM 0 H ALA B 131 -11.635 -1.574 -2.131 1.00 12.31 H new ATOM 0 HA ALA B 131 -9.899 -0.809 -4.144 1.00 41.31 H new ATOM 0 HB1 ALA B 131 -11.132 1.331 -4.127 1.00 12.14 H new ATOM 0 HB2 ALA B 131 -12.213 -0.079 -4.024 1.00 12.14 H new ATOM 0 HB3 ALA B 131 -11.861 0.881 -2.567 1.00 12.14 H new ATOM 219 N LEU B 132 -9.019 0.434 -1.265 1.00 31.23 N ATOM 220 CA LEU B 132 -7.945 1.128 -0.571 1.00 71.30 C ATOM 221 C LEU B 132 -6.586 0.467 -0.881 1.00 32.55 C ATOM 222 O LEU B 132 -5.580 1.132 -1.048 1.00 34.51 O ATOM 223 CB LEU B 132 -8.246 1.188 0.972 1.00 34.00 C ATOM 224 CG LEU B 132 -8.348 -0.155 1.768 1.00 41.21 C ATOM 225 CD1 LEU B 132 -6.989 -0.706 2.215 1.00 25.22 C ATOM 226 CD2 LEU B 132 -9.310 -0.027 2.944 1.00 65.03 C ATOM 0 H LEU B 132 -9.690 -0.024 -0.648 1.00 31.23 H new ATOM 0 HA LEU B 132 -7.887 2.156 -0.930 1.00 71.30 H new ATOM 0 HB2 LEU B 132 -7.466 1.791 1.438 1.00 34.00 H new ATOM 0 HB3 LEU B 132 -9.186 1.724 1.105 1.00 34.00 H new ATOM 0 HG LEU B 132 -8.752 -0.889 1.070 1.00 41.21 H new ATOM 0 HD11 LEU B 132 -7.136 -1.638 2.761 1.00 25.22 H new ATOM 0 HD12 LEU B 132 -6.366 -0.892 1.340 1.00 25.22 H new ATOM 0 HD13 LEU B 132 -6.497 0.020 2.862 1.00 25.22 H new ATOM 0 HD21 LEU B 132 -9.360 -0.976 3.478 1.00 65.03 H new ATOM 0 HD22 LEU B 132 -8.957 0.752 3.620 1.00 65.03 H new ATOM 0 HD23 LEU B 132 -10.302 0.235 2.576 1.00 65.03 H new ATOM 238 N VAL B 133 -6.599 -0.844 -0.987 1.00 20.30 N ATOM 239 CA VAL B 133 -5.400 -1.627 -1.183 1.00 2.44 C ATOM 240 C VAL B 133 -5.008 -1.713 -2.636 1.00 41.43 C ATOM 241 O VAL B 133 -3.854 -1.960 -2.977 1.00 11.14 O ATOM 242 CB VAL B 133 -5.578 -3.039 -0.604 1.00 33.41 C ATOM 243 CG1 VAL B 133 -6.143 -4.061 -1.559 1.00 1.21 C ATOM 244 CG2 VAL B 133 -4.364 -3.499 0.102 1.00 60.04 C ATOM 0 H VAL B 133 -7.452 -1.401 -0.939 1.00 20.30 H new ATOM 0 HA VAL B 133 -4.595 -1.117 -0.653 1.00 2.44 H new ATOM 0 HB VAL B 133 -6.367 -2.941 0.142 1.00 33.41 H new ATOM 0 HG11 VAL B 133 -6.229 -5.023 -1.054 1.00 1.21 H new ATOM 0 HG12 VAL B 133 -7.128 -3.739 -1.896 1.00 1.21 H new ATOM 0 HG13 VAL B 133 -5.480 -4.161 -2.419 1.00 1.21 H new ATOM 0 HG21 VAL B 133 -4.530 -4.501 0.497 1.00 60.04 H new ATOM 0 HG22 VAL B 133 -3.524 -3.517 -0.593 1.00 60.04 H new ATOM 0 HG23 VAL B 133 -4.141 -2.818 0.923 1.00 60.04 H new ATOM 254 N GLN B 134 -5.970 -1.506 -3.475 1.00 51.03 N ATOM 255 CA GLN B 134 -5.810 -1.712 -4.898 1.00 1.43 C ATOM 256 C GLN B 134 -4.762 -0.811 -5.504 1.00 10.22 C ATOM 257 O GLN B 134 -3.961 -1.224 -6.355 1.00 3.33 O ATOM 258 CB GLN B 134 -7.118 -1.525 -5.643 1.00 62.21 C ATOM 259 CG GLN B 134 -8.223 -2.478 -5.225 1.00 72.32 C ATOM 260 CD GLN B 134 -7.891 -3.958 -5.396 1.00 12.24 C ATOM 261 OE1 GLN B 134 -6.738 -4.383 -5.314 1.00 42.42 O ATOM 262 NE2 GLN B 134 -8.894 -4.749 -5.598 1.00 42.35 N ATOM 0 H GLN B 134 -6.899 -1.187 -3.202 1.00 51.03 H new ATOM 0 HA GLN B 134 -5.477 -2.744 -5.007 1.00 1.43 H new ATOM 0 HB2 GLN B 134 -7.463 -0.502 -5.495 1.00 62.21 H new ATOM 0 HB3 GLN B 134 -6.934 -1.648 -6.710 1.00 62.21 H new ATOM 0 HG2 GLN B 134 -8.466 -2.293 -4.179 1.00 72.32 H new ATOM 0 HG3 GLN B 134 -9.118 -2.251 -5.805 1.00 72.32 H new ATOM 0 HE21 GLN B 134 -9.838 -4.369 -5.662 1.00 42.35 H new ATOM 0 HE22 GLN B 134 -8.741 -5.753 -5.694 1.00 42.35 H new ATOM 271 N LEU B 135 -4.741 0.386 -5.023 1.00 31.00 N ATOM 272 CA LEU B 135 -3.882 1.420 -5.526 1.00 53.40 C ATOM 273 C LEU B 135 -2.446 1.226 -5.087 1.00 44.52 C ATOM 274 O LEU B 135 -1.549 1.807 -5.659 1.00 61.22 O ATOM 275 CB LEU B 135 -4.433 2.766 -5.100 1.00 12.34 C ATOM 276 CG LEU B 135 -4.718 2.920 -3.609 1.00 11.04 C ATOM 277 CD1 LEU B 135 -3.676 3.798 -2.915 1.00 24.03 C ATOM 278 CD2 LEU B 135 -6.151 3.395 -3.391 1.00 52.53 C ATOM 0 H LEU B 135 -5.334 0.686 -4.249 1.00 31.00 H new ATOM 0 HA LEU B 135 -3.866 1.373 -6.615 1.00 53.40 H new ATOM 0 HB2 LEU B 135 -3.725 3.539 -5.398 1.00 12.34 H new ATOM 0 HB3 LEU B 135 -5.356 2.951 -5.649 1.00 12.34 H new ATOM 0 HG LEU B 135 -4.629 1.942 -3.135 1.00 11.04 H new ATOM 0 HD11 LEU B 135 -3.918 3.881 -1.855 1.00 24.03 H new ATOM 0 HD12 LEU B 135 -2.689 3.350 -3.028 1.00 24.03 H new ATOM 0 HD13 LEU B 135 -3.678 4.790 -3.366 1.00 24.03 H new ATOM 0 HD21 LEU B 135 -6.341 3.501 -2.323 1.00 52.53 H new ATOM 0 HD22 LEU B 135 -6.294 4.358 -3.882 1.00 52.53 H new ATOM 0 HD23 LEU B 135 -6.844 2.667 -3.812 1.00 52.53 H new ATOM 290 N LEU B 136 -2.251 0.359 -4.103 1.00 21.22 N ATOM 291 CA LEU B 136 -0.928 0.026 -3.568 1.00 44.41 C ATOM 292 C LEU B 136 -0.267 -0.898 -4.552 1.00 40.11 C ATOM 293 O LEU B 136 0.931 -0.897 -4.739 1.00 61.31 O ATOM 294 CB LEU B 136 -1.139 -0.756 -2.277 1.00 1.14 C ATOM 295 CG LEU B 136 -0.073 -0.704 -1.166 1.00 52.41 C ATOM 296 CD1 LEU B 136 -0.635 -1.357 0.078 1.00 41.23 C ATOM 297 CD2 LEU B 136 1.196 -1.431 -1.571 1.00 34.05 C ATOM 0 H LEU B 136 -3.013 -0.141 -3.645 1.00 21.22 H new ATOM 0 HA LEU B 136 -0.330 0.921 -3.396 1.00 44.41 H new ATOM 0 HB2 LEU B 136 -2.079 -0.417 -1.842 1.00 1.14 H new ATOM 0 HB3 LEU B 136 -1.273 -1.803 -2.550 1.00 1.14 H new ATOM 0 HG LEU B 136 0.178 0.341 -0.982 1.00 52.41 H new ATOM 0 HD11 LEU B 136 0.110 -1.327 0.873 1.00 41.23 H new ATOM 0 HD12 LEU B 136 -1.529 -0.821 0.398 1.00 41.23 H new ATOM 0 HD13 LEU B 136 -0.892 -2.394 -0.140 1.00 41.23 H new ATOM 0 HD21 LEU B 136 1.923 -1.372 -0.761 1.00 34.05 H new ATOM 0 HD22 LEU B 136 0.966 -2.476 -1.777 1.00 34.05 H new ATOM 0 HD23 LEU B 136 1.611 -0.968 -2.466 1.00 34.05 H new ATOM 309 N SER B 137 -1.083 -1.659 -5.203 1.00 11.45 N ATOM 310 CA SER B 137 -0.616 -2.686 -6.044 1.00 2.00 C ATOM 311 C SER B 137 -0.647 -2.219 -7.529 1.00 23.45 C ATOM 312 O SER B 137 -0.670 -3.034 -8.460 1.00 1.12 O ATOM 313 CB SER B 137 -1.505 -3.920 -5.821 1.00 70.13 C ATOM 314 OG SER B 137 -1.055 -5.074 -6.512 1.00 44.15 O ATOM 0 H SER B 137 -2.099 -1.577 -5.159 1.00 11.45 H new ATOM 0 HA SER B 137 0.418 -2.938 -5.809 1.00 2.00 H new ATOM 0 HB2 SER B 137 -1.548 -4.139 -4.754 1.00 70.13 H new ATOM 0 HB3 SER B 137 -2.521 -3.688 -6.140 1.00 70.13 H new ATOM 0 HG SER B 137 -0.884 -4.848 -7.450 1.00 44.15 H new ATOM 320 N SER B 138 -0.633 -0.921 -7.746 1.00 30.13 N ATOM 321 CA SER B 138 -0.742 -0.383 -9.050 1.00 70.24 C ATOM 322 C SER B 138 0.626 -0.480 -9.807 1.00 64.22 C ATOM 323 O SER B 138 1.687 -0.480 -9.180 1.00 31.04 O ATOM 324 CB SER B 138 -1.213 1.052 -8.862 1.00 65.30 C ATOM 325 OG SER B 138 -0.302 1.786 -8.128 1.00 2.10 O ATOM 0 H SER B 138 -0.545 -0.222 -7.009 1.00 30.13 H new ATOM 0 HA SER B 138 -1.449 -0.935 -9.670 1.00 70.24 H new ATOM 0 HB2 SER B 138 -1.360 1.519 -9.836 1.00 65.30 H new ATOM 0 HB3 SER B 138 -2.179 1.057 -8.357 1.00 65.30 H new ATOM 0 HG SER B 138 -0.679 1.987 -7.246 1.00 2.10 H new ATOM 331 N PRO B 139 0.605 -0.608 -11.168 1.00 3.54 N ATOM 332 CA PRO B 139 1.848 -0.665 -12.004 1.00 24.41 C ATOM 333 C PRO B 139 2.479 0.730 -12.085 1.00 3.55 C ATOM 334 O PRO B 139 3.695 0.919 -12.101 1.00 33.11 O ATOM 335 CB PRO B 139 1.279 -0.973 -13.411 1.00 51.14 C ATOM 336 CG PRO B 139 -0.073 -0.360 -13.334 1.00 12.24 C ATOM 337 CD PRO B 139 -0.603 -0.753 -12.006 1.00 64.24 C ATOM 0 HA PRO B 139 2.587 -1.370 -11.624 1.00 24.41 H new ATOM 0 HB2 PRO B 139 1.884 -0.530 -14.202 1.00 51.14 H new ATOM 0 HB3 PRO B 139 1.232 -2.044 -13.607 1.00 51.14 H new ATOM 0 HG2 PRO B 139 -0.020 0.724 -13.432 1.00 12.24 H new ATOM 0 HG3 PRO B 139 -0.715 -0.721 -14.137 1.00 12.24 H new ATOM 0 HD2 PRO B 139 -1.414 -0.103 -11.677 1.00 64.24 H new ATOM 0 HD3 PRO B 139 -0.989 -1.772 -12.001 1.00 64.24 H new ATOM 345 N ASN B 140 1.576 1.665 -12.120 1.00 23.02 N ATOM 346 CA ASN B 140 1.729 3.014 -12.311 1.00 20.23 C ATOM 347 C ASN B 140 2.080 3.661 -11.027 1.00 43.12 C ATOM 348 O ASN B 140 1.214 4.067 -10.280 1.00 34.53 O ATOM 349 CB ASN B 140 0.404 3.564 -12.963 1.00 62.14 C ATOM 350 CG ASN B 140 -0.864 2.790 -12.651 1.00 24.03 C ATOM 351 OD1 ASN B 140 -1.007 2.303 -11.501 1.00 54.34 O flip ATOM 352 ND2 ASN B 140 -1.741 2.682 -13.491 1.00 42.30 N flip ATOM 0 H ASN B 140 0.592 1.428 -11.994 1.00 23.02 H new ATOM 0 HA ASN B 140 2.550 3.241 -12.992 1.00 20.23 H new ATOM 0 HB2 ASN B 140 0.265 4.596 -12.640 1.00 62.14 H new ATOM 0 HB3 ASN B 140 0.536 3.584 -14.045 1.00 62.14 H new ATOM 0 HD21 ASN B 140 -1.610 3.083 -14.420 1.00 42.30 H new ATOM 0 HD22 ASN B 140 -2.606 2.191 -13.265 1.00 42.30 H new ATOM 359 N GLU B 141 3.376 3.692 -10.770 1.00 73.15 N ATOM 360 CA GLU B 141 3.978 4.218 -9.556 1.00 45.35 C ATOM 361 C GLU B 141 3.629 5.695 -9.379 1.00 73.44 C ATOM 362 O GLU B 141 3.527 6.203 -8.257 1.00 64.43 O ATOM 363 CB GLU B 141 5.494 4.038 -9.624 1.00 72.42 C ATOM 364 CG GLU B 141 5.950 2.589 -9.802 1.00 31.50 C ATOM 365 CD GLU B 141 7.454 2.464 -9.882 1.00 2.21 C ATOM 366 OE1 GLU B 141 8.046 2.894 -10.907 1.00 2.24 O1- ATOM 367 OE2 GLU B 141 8.088 1.970 -8.916 1.00 72.31 O ATOM 0 H GLU B 141 4.068 3.336 -11.430 1.00 73.15 H new ATOM 0 HA GLU B 141 3.586 3.671 -8.699 1.00 45.35 H new ATOM 0 HB2 GLU B 141 5.882 4.632 -10.451 1.00 72.42 H new ATOM 0 HB3 GLU B 141 5.936 4.436 -8.711 1.00 72.42 H new ATOM 0 HG2 GLU B 141 5.582 1.990 -8.969 1.00 31.50 H new ATOM 0 HG3 GLU B 141 5.505 2.180 -10.709 1.00 31.50 H new ATOM 374 N GLN B 142 3.439 6.360 -10.485 1.00 51.13 N ATOM 375 CA GLN B 142 3.034 7.737 -10.498 1.00 31.54 C ATOM 376 C GLN B 142 1.639 7.887 -9.929 1.00 51.24 C ATOM 377 O GLN B 142 1.445 8.605 -8.944 1.00 5.41 O ATOM 378 CB GLN B 142 3.092 8.290 -11.911 1.00 3.13 C ATOM 379 CG GLN B 142 4.499 8.394 -12.468 1.00 43.42 C ATOM 380 CD GLN B 142 5.311 9.445 -11.758 1.00 72.43 C ATOM 381 OE1 GLN B 142 5.970 9.181 -10.750 1.00 44.11 O ATOM 382 NE2 GLN B 142 5.290 10.632 -12.275 1.00 63.34 N ATOM 0 H GLN B 142 3.563 5.955 -11.413 1.00 51.13 H new ATOM 0 HA GLN B 142 3.723 8.305 -9.873 1.00 31.54 H new ATOM 0 HB2 GLN B 142 2.498 7.653 -12.566 1.00 3.13 H new ATOM 0 HB3 GLN B 142 2.632 9.278 -11.924 1.00 3.13 H new ATOM 0 HG2 GLN B 142 4.997 7.429 -12.377 1.00 43.42 H new ATOM 0 HG3 GLN B 142 4.451 8.630 -13.531 1.00 43.42 H new ATOM 0 HE21 GLN B 142 4.733 10.815 -13.110 1.00 63.34 H new ATOM 0 HE22 GLN B 142 5.830 11.384 -11.847 1.00 63.34 H new ATOM 391 N ILE B 143 0.665 7.160 -10.493 1.00 34.31 N ATOM 392 CA ILE B 143 -0.710 7.318 -10.017 1.00 21.53 C ATOM 393 C ILE B 143 -0.874 6.642 -8.662 1.00 1.45 C ATOM 394 O ILE B 143 -1.749 6.997 -7.873 1.00 53.35 O ATOM 395 CB ILE B 143 -1.753 6.831 -11.066 1.00 14.02 C ATOM 396 CG1 ILE B 143 -1.734 5.376 -11.252 1.00 73.10 C ATOM 397 CG2 ILE B 143 -1.423 7.407 -12.393 1.00 44.30 C ATOM 398 CD1 ILE B 143 -2.537 4.523 -10.325 1.00 51.44 C ATOM 0 H ILE B 143 0.796 6.485 -11.247 1.00 34.31 H new ATOM 0 HA ILE B 143 -0.909 8.381 -9.883 1.00 21.53 H new ATOM 0 HB ILE B 143 -2.728 7.144 -10.692 1.00 14.02 H new ATOM 0 HG12 ILE B 143 -2.071 5.168 -12.268 1.00 73.10 H new ATOM 0 HG13 ILE B 143 -0.696 5.048 -11.187 1.00 73.10 H new ATOM 0 HG21 ILE B 143 -2.152 7.067 -13.129 1.00 44.30 H new ATOM 0 HG22 ILE B 143 -1.448 8.495 -12.334 1.00 44.30 H new ATOM 0 HG23 ILE B 143 -0.427 7.082 -12.693 1.00 44.30 H new ATOM 0 HD11 ILE B 143 -2.415 3.475 -10.597 1.00 51.44 H new ATOM 0 HD12 ILE B 143 -2.194 4.675 -9.302 1.00 51.44 H new ATOM 0 HD13 ILE B 143 -3.590 4.797 -10.399 1.00 51.44 H new ATOM 410 N LEU B 144 -0.011 5.652 -8.425 1.00 55.31 N ATOM 411 CA LEU B 144 0.113 4.958 -7.160 1.00 51.23 C ATOM 412 C LEU B 144 0.247 5.983 -6.066 1.00 35.13 C ATOM 413 O LEU B 144 -0.556 6.040 -5.172 1.00 44.33 O ATOM 414 CB LEU B 144 1.390 4.128 -7.199 1.00 3.21 C ATOM 415 CG LEU B 144 1.923 3.592 -5.881 1.00 52.24 C ATOM 416 CD1 LEU B 144 1.420 2.220 -5.570 1.00 13.41 C ATOM 417 CD2 LEU B 144 3.421 3.665 -5.845 1.00 24.12 C ATOM 0 H LEU B 144 0.636 5.308 -9.135 1.00 55.31 H new ATOM 0 HA LEU B 144 -0.755 4.323 -6.982 1.00 51.23 H new ATOM 0 HB2 LEU B 144 1.219 3.280 -7.862 1.00 3.21 H new ATOM 0 HB3 LEU B 144 2.172 4.736 -7.655 1.00 3.21 H new ATOM 0 HG LEU B 144 1.536 4.235 -5.091 1.00 52.24 H new ATOM 0 HD11 LEU B 144 1.833 1.888 -4.618 1.00 13.41 H new ATOM 0 HD12 LEU B 144 0.332 2.237 -5.507 1.00 13.41 H new ATOM 0 HD13 LEU B 144 1.727 1.532 -6.358 1.00 13.41 H new ATOM 0 HD21 LEU B 144 3.781 3.276 -4.893 1.00 24.12 H new ATOM 0 HD22 LEU B 144 3.834 3.070 -6.660 1.00 24.12 H new ATOM 0 HD23 LEU B 144 3.738 4.702 -5.957 1.00 24.12 H new ATOM 429 N GLN B 145 1.248 6.834 -6.207 1.00 62.02 N ATOM 430 CA GLN B 145 1.538 7.873 -5.246 1.00 14.14 C ATOM 431 C GLN B 145 0.431 8.883 -5.117 1.00 53.32 C ATOM 432 O GLN B 145 0.183 9.389 -4.023 1.00 13.44 O ATOM 433 CB GLN B 145 2.852 8.533 -5.571 1.00 31.14 C ATOM 434 CG GLN B 145 4.048 7.709 -5.160 1.00 35.44 C ATOM 435 CD GLN B 145 4.430 7.881 -3.688 1.00 5.04 C ATOM 436 OE1 GLN B 145 3.493 8.214 -2.837 1.00 4.41 O flip ATOM 437 NE2 GLN B 145 5.587 7.753 -3.337 1.00 60.40 N flip ATOM 0 H GLN B 145 1.887 6.819 -7.002 1.00 62.02 H new ATOM 0 HA GLN B 145 1.617 7.394 -4.270 1.00 14.14 H new ATOM 0 HB2 GLN B 145 2.901 8.723 -6.643 1.00 31.14 H new ATOM 0 HB3 GLN B 145 2.898 9.502 -5.073 1.00 31.14 H new ATOM 0 HG2 GLN B 145 3.838 6.657 -5.352 1.00 35.44 H new ATOM 0 HG3 GLN B 145 4.900 7.983 -5.783 1.00 35.44 H new ATOM 0 HE21 GLN B 145 6.301 7.493 -4.018 1.00 60.40 H new ATOM 0 HE22 GLN B 145 5.844 7.906 -2.362 1.00 60.40 H new ATOM 446 N GLU B 146 -0.231 9.162 -6.209 1.00 55.14 N ATOM 447 CA GLU B 146 -1.355 10.080 -6.203 1.00 32.43 C ATOM 448 C GLU B 146 -2.520 9.517 -5.387 1.00 61.02 C ATOM 449 O GLU B 146 -3.217 10.255 -4.684 1.00 62.21 O ATOM 450 CB GLU B 146 -1.830 10.372 -7.608 1.00 61.15 C ATOM 451 CG GLU B 146 -0.785 10.976 -8.506 1.00 73.43 C ATOM 452 CD GLU B 146 -1.362 11.429 -9.818 1.00 74.32 C ATOM 453 OE1 GLU B 146 -1.643 10.582 -10.694 1.00 3.34 O ATOM 454 OE2 GLU B 146 -1.543 12.653 -9.999 1.00 22.34 O1- ATOM 0 H GLU B 146 -0.014 8.767 -7.124 1.00 55.14 H new ATOM 0 HA GLU B 146 -1.009 11.006 -5.744 1.00 32.43 H new ATOM 0 HB2 GLU B 146 -2.186 9.445 -8.058 1.00 61.15 H new ATOM 0 HB3 GLU B 146 -2.682 11.049 -7.557 1.00 61.15 H new ATOM 0 HG2 GLU B 146 -0.321 11.824 -8.002 1.00 73.43 H new ATOM 0 HG3 GLU B 146 0.002 10.244 -8.690 1.00 73.43 H new ATOM 461 N ALA B 147 -2.746 8.225 -5.515 1.00 15.44 N ATOM 462 CA ALA B 147 -3.803 7.557 -4.771 1.00 72.45 C ATOM 463 C ALA B 147 -3.370 7.130 -3.368 1.00 11.52 C ATOM 464 O ALA B 147 -4.213 6.977 -2.495 1.00 71.22 O ATOM 465 CB ALA B 147 -4.311 6.356 -5.519 1.00 4.23 C ATOM 0 H ALA B 147 -2.211 7.611 -6.129 1.00 15.44 H new ATOM 0 HA ALA B 147 -4.601 8.292 -4.662 1.00 72.45 H new ATOM 0 HB1 ALA B 147 -5.100 5.875 -4.941 1.00 4.23 H new ATOM 0 HB2 ALA B 147 -4.708 6.670 -6.485 1.00 4.23 H new ATOM 0 HB3 ALA B 147 -3.494 5.652 -5.674 1.00 4.23 H new ATOM 471 N LEU B 148 -2.062 6.920 -3.160 1.00 50.13 N ATOM 472 CA LEU B 148 -1.496 6.442 -1.877 1.00 10.21 C ATOM 473 C LEU B 148 -1.917 7.272 -0.701 1.00 72.25 C ATOM 474 O LEU B 148 -2.002 6.766 0.411 1.00 11.01 O ATOM 475 CB LEU B 148 0.020 6.324 -1.937 1.00 24.22 C ATOM 476 CG LEU B 148 0.579 5.035 -2.570 1.00 12.12 C ATOM 477 CD1 LEU B 148 2.087 5.091 -2.671 1.00 75.04 C ATOM 478 CD2 LEU B 148 0.162 3.805 -1.771 1.00 53.12 C ATOM 0 H LEU B 148 -1.356 7.077 -3.880 1.00 50.13 H new ATOM 0 HA LEU B 148 -1.912 5.446 -1.726 1.00 10.21 H new ATOM 0 HB2 LEU B 148 0.408 7.176 -2.496 1.00 24.22 H new ATOM 0 HB3 LEU B 148 0.410 6.404 -0.922 1.00 24.22 H new ATOM 0 HG LEU B 148 0.162 4.958 -3.574 1.00 12.12 H new ATOM 0 HD11 LEU B 148 2.456 4.169 -3.121 1.00 75.04 H new ATOM 0 HD12 LEU B 148 2.379 5.939 -3.290 1.00 75.04 H new ATOM 0 HD13 LEU B 148 2.514 5.205 -1.675 1.00 75.04 H new ATOM 0 HD21 LEU B 148 0.571 2.910 -2.241 1.00 53.12 H new ATOM 0 HD22 LEU B 148 0.543 3.886 -0.753 1.00 53.12 H new ATOM 0 HD23 LEU B 148 -0.926 3.738 -1.747 1.00 53.12 H new ATOM 490 N TRP B 149 -2.203 8.526 -0.959 1.00 72.11 N ATOM 491 CA TRP B 149 -2.770 9.439 0.013 1.00 73.33 C ATOM 492 C TRP B 149 -3.986 8.826 0.701 1.00 33.51 C ATOM 493 O TRP B 149 -4.223 9.052 1.890 1.00 12.44 O ATOM 494 CB TRP B 149 -3.216 10.699 -0.687 1.00 5.20 C ATOM 495 CG TRP B 149 -2.099 11.562 -1.192 1.00 21.45 C ATOM 496 CD1 TRP B 149 -1.580 11.570 -2.450 1.00 14.14 C ATOM 497 CD2 TRP B 149 -1.363 12.541 -0.452 1.00 64.10 C ATOM 498 NE1 TRP B 149 -0.580 12.498 -2.545 1.00 44.31 N ATOM 499 CE2 TRP B 149 -0.422 13.106 -1.334 1.00 41.22 C ATOM 500 CE3 TRP B 149 -1.409 13.000 0.864 1.00 50.34 C ATOM 501 CZ2 TRP B 149 0.465 14.099 -0.942 1.00 11.41 C ATOM 502 CZ3 TRP B 149 -0.527 13.986 1.250 1.00 0.00 C ATOM 503 CH2 TRP B 149 0.396 14.528 0.352 1.00 21.30 C ATOM 0 H TRP B 149 -2.045 8.953 -1.872 1.00 72.11 H new ATOM 0 HA TRP B 149 -2.005 9.654 0.759 1.00 73.33 H new ATOM 0 HB2 TRP B 149 -3.854 10.426 -1.527 1.00 5.20 H new ATOM 0 HB3 TRP B 149 -3.827 11.284 0.000 1.00 5.20 H new ATOM 0 HD1 TRP B 149 -1.911 10.934 -3.258 1.00 14.14 H new ATOM 0 HE1 TRP B 149 -0.040 12.703 -3.386 1.00 44.31 H new ATOM 0 HE3 TRP B 149 -2.121 12.591 1.566 1.00 50.34 H new ATOM 0 HZ2 TRP B 149 1.182 14.516 -1.634 1.00 11.41 H new ATOM 0 HZ3 TRP B 149 -0.550 14.347 2.268 1.00 0.00 H new ATOM 0 HH2 TRP B 149 1.069 15.303 0.689 1.00 21.30 H new ATOM 514 N ALA B 150 -4.743 8.051 -0.049 1.00 4.41 N ATOM 515 CA ALA B 150 -5.900 7.400 0.466 1.00 55.10 C ATOM 516 C ALA B 150 -5.485 6.206 1.313 1.00 74.03 C ATOM 517 O ALA B 150 -5.730 6.189 2.513 1.00 33.30 O ATOM 518 CB ALA B 150 -6.823 6.970 -0.656 1.00 15.21 C ATOM 0 H ALA B 150 -4.561 7.863 -1.035 1.00 4.41 H new ATOM 0 HA ALA B 150 -6.448 8.103 1.093 1.00 55.10 H new ATOM 0 HB1 ALA B 150 -7.699 6.475 -0.237 1.00 15.21 H new ATOM 0 HB2 ALA B 150 -7.138 7.845 -1.224 1.00 15.21 H new ATOM 0 HB3 ALA B 150 -6.297 6.279 -1.315 1.00 15.21 H new ATOM 524 N LEU B 151 -4.799 5.240 0.675 1.00 70.43 N ATOM 525 CA LEU B 151 -4.307 3.999 1.347 1.00 60.43 C ATOM 526 C LEU B 151 -3.567 4.305 2.640 1.00 0.01 C ATOM 527 O LEU B 151 -3.789 3.663 3.664 1.00 1.42 O ATOM 528 CB LEU B 151 -3.405 3.201 0.355 1.00 30.21 C ATOM 529 CG LEU B 151 -2.630 1.917 0.804 1.00 35.52 C ATOM 530 CD1 LEU B 151 -1.397 2.217 1.664 1.00 33.34 C ATOM 531 CD2 LEU B 151 -3.548 0.921 1.499 1.00 54.11 C ATOM 0 H LEU B 151 -4.565 5.287 -0.317 1.00 70.43 H new ATOM 0 HA LEU B 151 -5.168 3.390 1.622 1.00 60.43 H new ATOM 0 HB2 LEU B 151 -4.037 2.912 -0.485 1.00 30.21 H new ATOM 0 HB3 LEU B 151 -2.663 3.900 -0.030 1.00 30.21 H new ATOM 0 HG LEU B 151 -2.261 1.462 -0.115 1.00 35.52 H new ATOM 0 HD11 LEU B 151 -0.909 1.282 1.939 1.00 33.34 H new ATOM 0 HD12 LEU B 151 -0.701 2.837 1.099 1.00 33.34 H new ATOM 0 HD13 LEU B 151 -1.703 2.746 2.567 1.00 33.34 H new ATOM 0 HD21 LEU B 151 -2.974 0.043 1.796 1.00 54.11 H new ATOM 0 HD22 LEU B 151 -3.985 1.385 2.383 1.00 54.11 H new ATOM 0 HD23 LEU B 151 -4.343 0.621 0.816 1.00 54.11 H new ATOM 543 N SER B 152 -2.714 5.278 2.589 1.00 60.31 N ATOM 544 CA SER B 152 -1.904 5.615 3.703 1.00 74.51 C ATOM 545 C SER B 152 -2.750 6.233 4.830 1.00 11.20 C ATOM 546 O SER B 152 -2.544 5.922 5.999 1.00 33.33 O ATOM 547 CB SER B 152 -0.769 6.514 3.231 1.00 21.44 C ATOM 548 OG SER B 152 0.178 6.791 4.267 1.00 22.11 O ATOM 0 H SER B 152 -2.563 5.861 1.766 1.00 60.31 H new ATOM 0 HA SER B 152 -1.458 4.719 4.134 1.00 74.51 H new ATOM 0 HB2 SER B 152 -0.258 6.039 2.394 1.00 21.44 H new ATOM 0 HB3 SER B 152 -1.183 7.452 2.861 1.00 21.44 H new ATOM 0 HG SER B 152 0.071 6.139 4.991 1.00 22.11 H new ATOM 554 N ASN B 153 -3.749 7.032 4.473 1.00 64.24 N ATOM 555 CA ASN B 153 -4.647 7.631 5.474 1.00 44.31 C ATOM 556 C ASN B 153 -5.496 6.529 6.096 1.00 64.55 C ATOM 557 O ASN B 153 -5.819 6.558 7.286 1.00 64.23 O ATOM 558 CB ASN B 153 -5.548 8.686 4.833 1.00 63.41 C ATOM 559 CG ASN B 153 -6.420 9.431 5.840 1.00 23.31 C ATOM 560 OD1 ASN B 153 -6.054 9.616 7.006 1.00 40.43 O ATOM 561 ND2 ASN B 153 -7.555 9.890 5.398 1.00 50.30 N ATOM 0 H ASN B 153 -3.963 7.283 3.508 1.00 64.24 H new ATOM 0 HA ASN B 153 -4.050 8.120 6.243 1.00 44.31 H new ATOM 0 HB2 ASN B 153 -4.928 9.406 4.298 1.00 63.41 H new ATOM 0 HB3 ASN B 153 -6.189 8.205 4.094 1.00 63.41 H new ATOM 0 HD21 ASN B 153 -8.168 10.418 6.019 1.00 50.30 H new ATOM 0 HD22 ASN B 153 -7.831 9.722 4.431 1.00 50.30 H new ATOM 568 N ILE B 154 -5.838 5.561 5.269 1.00 75.13 N ATOM 569 CA ILE B 154 -6.552 4.363 5.687 1.00 55.41 C ATOM 570 C ILE B 154 -5.728 3.595 6.726 1.00 43.23 C ATOM 571 O ILE B 154 -6.193 3.328 7.820 1.00 31.12 O ATOM 572 CB ILE B 154 -6.812 3.424 4.472 1.00 3.11 C ATOM 573 CG1 ILE B 154 -7.786 4.054 3.455 1.00 50.30 C ATOM 574 CG2 ILE B 154 -7.297 2.055 4.920 1.00 43.33 C ATOM 575 CD1 ILE B 154 -9.198 4.255 3.960 1.00 21.43 C ATOM 0 H ILE B 154 -5.626 5.582 4.271 1.00 75.13 H new ATOM 0 HA ILE B 154 -7.504 4.674 6.117 1.00 55.41 H new ATOM 0 HB ILE B 154 -5.856 3.289 3.965 1.00 3.11 H new ATOM 0 HG12 ILE B 154 -7.387 5.019 3.143 1.00 50.30 H new ATOM 0 HG13 ILE B 154 -7.820 3.421 2.568 1.00 50.30 H new ATOM 0 HG21 ILE B 154 -7.468 1.426 4.047 1.00 43.33 H new ATOM 0 HG22 ILE B 154 -6.544 1.593 5.558 1.00 43.33 H new ATOM 0 HG23 ILE B 154 -8.227 2.163 5.477 1.00 43.33 H new ATOM 0 HD11 ILE B 154 -9.805 4.703 3.173 1.00 21.43 H new ATOM 0 HD12 ILE B 154 -9.624 3.292 4.244 1.00 21.43 H new ATOM 0 HD13 ILE B 154 -9.184 4.915 4.827 1.00 21.43 H new ATOM 587 N ALA B 155 -4.488 3.284 6.373 1.00 10.31 N ATOM 588 CA ALA B 155 -3.593 2.511 7.231 1.00 14.12 C ATOM 589 C ALA B 155 -3.203 3.283 8.493 1.00 64.41 C ATOM 590 O ALA B 155 -2.761 2.701 9.480 1.00 71.04 O ATOM 591 CB ALA B 155 -2.372 2.072 6.453 1.00 41.11 C ATOM 0 H ALA B 155 -4.072 3.560 5.484 1.00 10.31 H new ATOM 0 HA ALA B 155 -4.130 1.622 7.562 1.00 14.12 H new ATOM 0 HB1 ALA B 155 -1.713 1.497 7.104 1.00 41.11 H new ATOM 0 HB2 ALA B 155 -2.681 1.453 5.611 1.00 41.11 H new ATOM 0 HB3 ALA B 155 -1.841 2.949 6.083 1.00 41.11 H new ATOM 597 N SER B 156 -3.378 4.595 8.452 1.00 4.52 N ATOM 598 CA SER B 156 -3.151 5.430 9.612 1.00 54.22 C ATOM 599 C SER B 156 -4.324 5.281 10.600 1.00 33.11 C ATOM 600 O SER B 156 -4.249 5.725 11.756 1.00 31.14 O ATOM 601 CB SER B 156 -2.969 6.889 9.187 1.00 51.15 C ATOM 602 OG SER B 156 -1.858 7.026 8.300 1.00 71.21 O ATOM 0 H SER B 156 -3.679 5.103 7.620 1.00 4.52 H new ATOM 0 HA SER B 156 -2.237 5.110 10.113 1.00 54.22 H new ATOM 0 HB2 SER B 156 -3.876 7.246 8.698 1.00 51.15 H new ATOM 0 HB3 SER B 156 -2.815 7.512 10.068 1.00 51.15 H new ATOM 0 HG SER B 156 -2.028 6.515 7.481 1.00 71.21 H new ATOM 608 N GLY B 157 -5.393 4.656 10.129 1.00 64.35 N ATOM 609 CA GLY B 157 -6.534 4.371 10.936 1.00 65.32 C ATOM 610 C GLY B 157 -6.398 2.991 11.519 1.00 30.23 C ATOM 611 O GLY B 157 -6.879 1.998 10.952 1.00 41.22 O ATOM 0 H GLY B 157 -5.478 4.336 9.164 1.00 64.35 H new ATOM 0 HA2 GLY B 157 -6.623 5.108 11.734 1.00 65.32 H new ATOM 0 HA3 GLY B 157 -7.443 4.438 10.338 1.00 65.32 H new ATOM 615 N GLY B 158 -5.740 2.916 12.646 1.00 4.51 N ATOM 616 CA GLY B 158 -5.466 1.652 13.271 1.00 1.13 C ATOM 617 C GLY B 158 -6.650 1.103 14.019 1.00 32.24 C ATOM 618 O GLY B 158 -6.601 -0.023 14.524 1.00 23.13 O ATOM 0 H GLY B 158 -5.381 3.725 13.153 1.00 4.51 H new ATOM 0 HA2 GLY B 158 -5.158 0.935 12.510 1.00 1.13 H new ATOM 0 HA3 GLY B 158 -4.628 1.766 13.959 1.00 1.13 H new ATOM 622 N ASN B 159 -7.703 1.892 14.094 1.00 23.14 N ATOM 623 CA ASN B 159 -8.920 1.511 14.784 1.00 4.32 C ATOM 624 C ASN B 159 -9.557 0.279 14.149 1.00 43.12 C ATOM 625 O ASN B 159 -9.723 -0.741 14.805 1.00 73.44 O ATOM 626 CB ASN B 159 -9.917 2.677 14.825 1.00 41.53 C ATOM 627 CG ASN B 159 -11.156 2.352 15.644 1.00 73.54 C ATOM 628 OD1 ASN B 159 -11.167 2.540 16.865 1.00 53.51 O ATOM 629 ND2 ASN B 159 -12.211 1.921 14.998 1.00 13.35 N ATOM 0 H ASN B 159 -7.739 2.821 13.675 1.00 23.14 H new ATOM 0 HA ASN B 159 -8.650 1.257 15.809 1.00 4.32 H new ATOM 0 HB2 ASN B 159 -9.427 3.556 15.245 1.00 41.53 H new ATOM 0 HB3 ASN B 159 -10.214 2.933 13.808 1.00 41.53 H new ATOM 0 HD21 ASN B 159 -13.076 1.730 15.504 1.00 13.35 H new ATOM 0 HD22 ASN B 159 -12.168 1.776 13.989 1.00 13.35 H new ATOM 636 N GLU B 160 -9.889 0.357 12.876 1.00 61.13 N ATOM 637 CA GLU B 160 -10.515 -0.782 12.218 1.00 44.33 C ATOM 638 C GLU B 160 -9.965 -0.990 10.809 1.00 21.45 C ATOM 639 O GLU B 160 -9.847 -2.115 10.345 1.00 55.12 O ATOM 640 CB GLU B 160 -12.035 -0.615 12.176 1.00 21.44 C ATOM 641 CG GLU B 160 -12.770 -1.817 11.611 1.00 75.15 C ATOM 642 CD GLU B 160 -14.249 -1.604 11.527 1.00 34.45 C ATOM 643 OE1 GLU B 160 -14.718 -1.063 10.525 1.00 51.14 O1- ATOM 644 OE2 GLU B 160 -14.971 -1.986 12.446 1.00 5.33 O ATOM 0 H GLU B 160 -9.742 1.175 12.284 1.00 61.13 H new ATOM 0 HA GLU B 160 -10.276 -1.669 12.804 1.00 44.33 H new ATOM 0 HB2 GLU B 160 -12.398 -0.421 13.186 1.00 21.44 H new ATOM 0 HB3 GLU B 160 -12.278 0.262 11.576 1.00 21.44 H new ATOM 0 HG2 GLU B 160 -12.382 -2.040 10.617 1.00 75.15 H new ATOM 0 HG3 GLU B 160 -12.567 -2.688 12.235 1.00 75.15 H new ATOM 651 N GLN B 161 -9.595 0.086 10.154 1.00 55.22 N ATOM 652 CA GLN B 161 -9.108 0.049 8.781 1.00 4.24 C ATOM 653 C GLN B 161 -7.873 -0.849 8.665 1.00 2.21 C ATOM 654 O GLN B 161 -7.704 -1.585 7.699 1.00 4.14 O ATOM 655 CB GLN B 161 -8.765 1.460 8.269 1.00 73.31 C ATOM 656 CG GLN B 161 -9.896 2.505 8.318 1.00 74.15 C ATOM 657 CD GLN B 161 -10.093 3.193 9.684 1.00 63.34 C ATOM 658 OE1 GLN B 161 -9.845 2.625 10.760 1.00 30.32 O ATOM 659 NE2 GLN B 161 -10.536 4.413 9.647 1.00 71.32 N ATOM 0 H GLN B 161 -9.621 1.023 10.556 1.00 55.22 H new ATOM 0 HA GLN B 161 -9.909 -0.361 8.166 1.00 4.24 H new ATOM 0 HB2 GLN B 161 -7.925 1.839 8.852 1.00 73.31 H new ATOM 0 HB3 GLN B 161 -8.424 1.375 7.237 1.00 73.31 H new ATOM 0 HG2 GLN B 161 -9.695 3.271 7.569 1.00 74.15 H new ATOM 0 HG3 GLN B 161 -10.830 2.020 8.035 1.00 74.15 H new ATOM 0 HE21 GLN B 161 -10.732 4.857 8.750 1.00 71.32 H new ATOM 0 HE22 GLN B 161 -10.688 4.927 10.515 1.00 71.32 H new ATOM 668 N LYS B 162 -7.064 -0.815 9.690 1.00 0.01 N ATOM 669 CA LYS B 162 -5.840 -1.585 9.782 1.00 53.04 C ATOM 670 C LYS B 162 -6.062 -3.134 9.739 1.00 54.42 C ATOM 671 O LYS B 162 -5.154 -3.876 9.408 1.00 41.24 O ATOM 672 CB LYS B 162 -5.071 -1.133 11.034 1.00 52.24 C ATOM 673 CG LYS B 162 -3.797 -1.871 11.325 1.00 72.31 C ATOM 674 CD LYS B 162 -3.145 -1.334 12.586 1.00 53.42 C ATOM 675 CE LYS B 162 -3.926 -1.683 13.860 1.00 52.21 C ATOM 676 NZ LYS B 162 -4.069 -3.136 14.075 1.00 22.01 N1+ ATOM 0 H LYS B 162 -7.238 -0.236 10.511 1.00 0.01 H new ATOM 0 HA LYS B 162 -5.242 -1.383 8.893 1.00 53.04 H new ATOM 0 HB2 LYS B 162 -4.838 -0.073 10.930 1.00 52.24 H new ATOM 0 HB3 LYS B 162 -5.730 -1.232 11.897 1.00 52.24 H new ATOM 0 HG2 LYS B 162 -4.005 -2.935 11.441 1.00 72.31 H new ATOM 0 HG3 LYS B 162 -3.112 -1.770 10.483 1.00 72.31 H new ATOM 0 HD2 LYS B 162 -2.134 -1.735 12.665 1.00 53.42 H new ATOM 0 HD3 LYS B 162 -3.053 -0.251 12.508 1.00 53.42 H new ATOM 0 HE2 LYS B 162 -3.421 -1.243 14.720 1.00 52.21 H new ATOM 0 HE3 LYS B 162 -4.916 -1.231 13.806 1.00 52.21 H new ATOM 0 HZ1 LYS B 162 -4.420 -3.312 15.038 1.00 22.01 H new ATOM 0 HZ2 LYS B 162 -4.743 -3.524 13.385 1.00 22.01 H new ATOM 0 HZ3 LYS B 162 -3.145 -3.597 13.954 1.00 22.01 H new ATOM 690 N GLN B 163 -7.259 -3.612 10.051 1.00 45.04 N ATOM 691 CA GLN B 163 -7.509 -5.073 10.026 1.00 54.43 C ATOM 692 C GLN B 163 -7.973 -5.510 8.621 1.00 43.34 C ATOM 693 O GLN B 163 -7.811 -6.663 8.211 1.00 51.54 O ATOM 694 CB GLN B 163 -8.573 -5.458 11.061 1.00 0.44 C ATOM 695 CG GLN B 163 -9.974 -5.055 10.656 1.00 12.45 C ATOM 696 CD GLN B 163 -11.001 -5.176 11.768 1.00 32.52 C ATOM 697 OE1 GLN B 163 -10.596 -4.947 12.999 1.00 71.21 O flip ATOM 698 NE2 GLN B 163 -12.175 -5.449 11.505 1.00 35.45 N flip ATOM 0 H GLN B 163 -8.060 -3.041 10.319 1.00 45.04 H new ATOM 0 HA GLN B 163 -6.577 -5.582 10.273 1.00 54.43 H new ATOM 0 HB2 GLN B 163 -8.544 -6.536 11.219 1.00 0.44 H new ATOM 0 HB3 GLN B 163 -8.329 -4.990 12.015 1.00 0.44 H new ATOM 0 HG2 GLN B 163 -9.956 -4.024 10.304 1.00 12.45 H new ATOM 0 HG3 GLN B 163 -10.290 -5.674 9.816 1.00 12.45 H new ATOM 0 HE21 GLN B 163 -12.455 -5.621 10.539 1.00 35.45 H new ATOM 0 HE22 GLN B 163 -12.866 -5.503 12.253 1.00 35.45 H new ATOM 707 N ALA B 164 -8.511 -4.552 7.899 1.00 52.32 N ATOM 708 CA ALA B 164 -9.135 -4.742 6.589 1.00 30.11 C ATOM 709 C ALA B 164 -8.125 -5.021 5.550 1.00 13.35 C ATOM 710 O ALA B 164 -8.367 -5.742 4.622 1.00 74.41 O ATOM 711 CB ALA B 164 -9.749 -3.460 6.221 1.00 12.31 C ATOM 0 H ALA B 164 -8.532 -3.581 8.211 1.00 52.32 H new ATOM 0 HA ALA B 164 -9.840 -5.571 6.650 1.00 30.11 H new ATOM 0 HB1 ALA B 164 -10.229 -3.553 5.247 1.00 12.31 H new ATOM 0 HB2 ALA B 164 -10.494 -3.186 6.968 1.00 12.31 H new ATOM 0 HB3 ALA B 164 -8.980 -2.688 6.175 1.00 12.31 H new ATOM 717 N VAL B 165 -7.001 -4.421 5.718 1.00 3.02 N ATOM 718 CA VAL B 165 -5.925 -4.470 4.763 1.00 13.21 C ATOM 719 C VAL B 165 -5.494 -5.925 4.473 1.00 2.43 C ATOM 720 O VAL B 165 -5.243 -6.288 3.334 1.00 61.00 O ATOM 721 CB VAL B 165 -4.736 -3.624 5.277 1.00 33.10 C ATOM 722 CG1 VAL B 165 -5.216 -2.271 5.641 1.00 41.13 C ATOM 723 CG2 VAL B 165 -4.213 -4.198 6.509 1.00 41.10 C ATOM 0 H VAL B 165 -6.787 -3.863 6.545 1.00 3.02 H new ATOM 0 HA VAL B 165 -6.275 -4.049 3.820 1.00 13.21 H new ATOM 0 HB VAL B 165 -3.979 -3.596 4.493 1.00 33.10 H new ATOM 0 HG11 VAL B 165 -4.380 -1.673 6.003 1.00 41.13 H new ATOM 0 HG12 VAL B 165 -5.652 -1.791 4.764 1.00 41.13 H new ATOM 0 HG13 VAL B 165 -5.971 -2.351 6.423 1.00 41.13 H new ATOM 0 HG21 VAL B 165 -3.376 -3.596 6.864 1.00 41.10 H new ATOM 0 HG22 VAL B 165 -4.997 -4.211 7.266 1.00 41.10 H new ATOM 0 HG23 VAL B 165 -3.873 -5.216 6.320 1.00 41.10 H new ATOM 733 N LYS B 166 -5.504 -6.770 5.501 1.00 72.33 N ATOM 734 CA LYS B 166 -5.099 -8.160 5.350 1.00 62.53 C ATOM 735 C LYS B 166 -6.175 -8.891 4.590 1.00 61.12 C ATOM 736 O LYS B 166 -5.906 -9.771 3.784 1.00 13.14 O ATOM 737 CB LYS B 166 -4.908 -8.861 6.699 1.00 64.02 C ATOM 738 CG LYS B 166 -3.986 -8.187 7.713 1.00 21.20 C ATOM 739 CD LYS B 166 -4.660 -7.028 8.459 1.00 51.32 C ATOM 740 CE LYS B 166 -4.044 -6.856 9.839 1.00 50.03 C ATOM 741 NZ LYS B 166 -4.141 -8.099 10.648 1.00 65.44 N1+ ATOM 0 H LYS B 166 -5.789 -6.514 6.446 1.00 72.33 H new ATOM 0 HA LYS B 166 -4.145 -8.173 4.823 1.00 62.53 H new ATOM 0 HB2 LYS B 166 -5.889 -8.978 7.160 1.00 64.02 H new ATOM 0 HB3 LYS B 166 -4.524 -9.863 6.507 1.00 64.02 H new ATOM 0 HG2 LYS B 166 -3.647 -8.929 8.436 1.00 21.20 H new ATOM 0 HG3 LYS B 166 -3.100 -7.814 7.199 1.00 21.20 H new ATOM 0 HD2 LYS B 166 -4.550 -6.106 7.887 1.00 51.32 H new ATOM 0 HD3 LYS B 166 -5.729 -7.220 8.552 1.00 51.32 H new ATOM 0 HE2 LYS B 166 -2.997 -6.571 9.736 1.00 50.03 H new ATOM 0 HE3 LYS B 166 -4.546 -6.042 10.362 1.00 50.03 H new ATOM 0 HZ1 LYS B 166 -4.204 -7.853 11.656 1.00 65.44 H new ATOM 0 HZ2 LYS B 166 -4.990 -8.630 10.367 1.00 65.44 H new ATOM 0 HZ3 LYS B 166 -3.297 -8.685 10.487 1.00 65.44 H new ATOM 755 N GLU B 167 -7.387 -8.468 4.838 1.00 75.44 N ATOM 756 CA GLU B 167 -8.556 -8.985 4.261 1.00 33.13 C ATOM 757 C GLU B 167 -8.714 -8.549 2.808 1.00 4.33 C ATOM 758 O GLU B 167 -9.331 -9.244 1.997 1.00 61.22 O ATOM 759 CB GLU B 167 -9.688 -8.518 5.125 1.00 35.41 C ATOM 760 CG GLU B 167 -9.939 -9.445 6.273 1.00 14.32 C ATOM 761 CD GLU B 167 -10.126 -10.871 5.809 1.00 71.10 C ATOM 762 OE1 GLU B 167 -11.211 -11.200 5.270 1.00 51.30 O1- ATOM 763 OE2 GLU B 167 -9.180 -11.674 5.932 1.00 34.35 O ATOM 0 H GLU B 167 -7.573 -7.707 5.491 1.00 75.44 H new ATOM 0 HA GLU B 167 -8.527 -10.074 4.221 1.00 33.13 H new ATOM 0 HB2 GLU B 167 -9.465 -7.521 5.506 1.00 35.41 H new ATOM 0 HB3 GLU B 167 -10.593 -8.434 4.523 1.00 35.41 H new ATOM 0 HG2 GLU B 167 -9.103 -9.396 6.970 1.00 14.32 H new ATOM 0 HG3 GLU B 167 -10.826 -9.120 6.816 1.00 14.32 H new ATOM 770 N ALA B 168 -8.143 -7.412 2.496 1.00 51.34 N ATOM 771 CA ALA B 168 -8.136 -6.865 1.158 1.00 12.43 C ATOM 772 C ALA B 168 -6.991 -7.467 0.345 1.00 34.44 C ATOM 773 O ALA B 168 -6.912 -7.293 -0.868 1.00 25.22 O ATOM 774 CB ALA B 168 -7.997 -5.357 1.233 1.00 40.11 C ATOM 0 H ALA B 168 -7.660 -6.827 3.178 1.00 51.34 H new ATOM 0 HA ALA B 168 -9.074 -7.114 0.661 1.00 12.43 H new ATOM 0 HB1 ALA B 168 -7.991 -4.942 0.225 1.00 40.11 H new ATOM 0 HB2 ALA B 168 -8.835 -4.942 1.792 1.00 40.11 H new ATOM 0 HB3 ALA B 168 -7.064 -5.102 1.736 1.00 40.11 H new ATOM 780 N GLY B 169 -6.105 -8.154 1.031 1.00 34.33 N ATOM 781 CA GLY B 169 -5.013 -8.829 0.381 1.00 34.02 C ATOM 782 C GLY B 169 -3.768 -7.980 0.285 1.00 4.54 C ATOM 783 O GLY B 169 -2.985 -8.135 -0.644 1.00 31.44 O ATOM 0 H GLY B 169 -6.123 -8.258 2.046 1.00 34.33 H new ATOM 0 HA2 GLY B 169 -4.781 -9.743 0.927 1.00 34.02 H new ATOM 0 HA3 GLY B 169 -5.322 -9.126 -0.621 1.00 34.02 H new ATOM 787 N ALA B 170 -3.565 -7.096 1.274 1.00 35.41 N ATOM 788 CA ALA B 170 -2.410 -6.174 1.321 1.00 34.41 C ATOM 789 C ALA B 170 -1.075 -6.885 1.206 1.00 73.04 C ATOM 790 O ALA B 170 -0.106 -6.283 0.795 1.00 1.24 O ATOM 791 CB ALA B 170 -2.443 -5.316 2.573 1.00 13.24 C ATOM 0 H ALA B 170 -4.197 -6.997 2.068 1.00 35.41 H new ATOM 0 HA ALA B 170 -2.504 -5.531 0.446 1.00 34.41 H new ATOM 0 HB1 ALA B 170 -1.581 -4.648 2.579 1.00 13.24 H new ATOM 0 HB2 ALA B 170 -3.359 -4.726 2.586 1.00 13.24 H new ATOM 0 HB3 ALA B 170 -2.412 -5.957 3.454 1.00 13.24 H new ATOM 797 N LEU B 171 -1.042 -8.166 1.549 1.00 61.22 N ATOM 798 CA LEU B 171 0.167 -8.961 1.454 1.00 71.22 C ATOM 799 C LEU B 171 0.683 -9.005 0.017 1.00 54.15 C ATOM 800 O LEU B 171 1.826 -8.624 -0.247 1.00 23.24 O ATOM 801 CB LEU B 171 -0.084 -10.371 1.966 1.00 35.44 C ATOM 802 CG LEU B 171 -0.443 -10.489 3.442 1.00 71.12 C ATOM 803 CD1 LEU B 171 -0.812 -11.910 3.767 1.00 70.51 C ATOM 804 CD2 LEU B 171 0.725 -10.042 4.309 1.00 11.20 C ATOM 0 H LEU B 171 -1.851 -8.678 1.899 1.00 61.22 H new ATOM 0 HA LEU B 171 0.929 -8.491 2.075 1.00 71.22 H new ATOM 0 HB2 LEU B 171 -0.890 -10.812 1.380 1.00 35.44 H new ATOM 0 HB3 LEU B 171 0.809 -10.968 1.780 1.00 35.44 H new ATOM 0 HG LEU B 171 -1.296 -9.843 3.648 1.00 71.12 H new ATOM 0 HD11 LEU B 171 -1.067 -11.987 4.824 1.00 70.51 H new ATOM 0 HD12 LEU B 171 -1.669 -12.211 3.164 1.00 70.51 H new ATOM 0 HD13 LEU B 171 0.032 -12.564 3.549 1.00 70.51 H new ATOM 0 HD21 LEU B 171 0.453 -10.132 5.361 1.00 11.20 H new ATOM 0 HD22 LEU B 171 1.592 -10.670 4.103 1.00 11.20 H new ATOM 0 HD23 LEU B 171 0.968 -9.003 4.085 1.00 11.20 H new ATOM 816 N GLU B 172 -0.176 -9.417 -0.920 1.00 61.41 N ATOM 817 CA GLU B 172 0.232 -9.506 -2.324 1.00 12.34 C ATOM 818 C GLU B 172 0.409 -8.114 -2.924 1.00 12.03 C ATOM 819 O GLU B 172 1.285 -7.895 -3.752 1.00 11.21 O ATOM 820 CB GLU B 172 -0.757 -10.333 -3.171 1.00 22.42 C ATOM 821 CG GLU B 172 -2.179 -9.792 -3.194 1.00 4.33 C ATOM 822 CD GLU B 172 -3.061 -10.504 -4.178 1.00 14.33 C ATOM 823 OE1 GLU B 172 -3.663 -11.529 -3.829 1.00 71.05 O1- ATOM 824 OE2 GLU B 172 -3.176 -10.033 -5.330 1.00 61.51 O ATOM 0 H GLU B 172 -1.142 -9.690 -0.737 1.00 61.41 H new ATOM 0 HA GLU B 172 1.190 -10.026 -2.343 1.00 12.34 H new ATOM 0 HB2 GLU B 172 -0.385 -10.383 -4.194 1.00 22.42 H new ATOM 0 HB3 GLU B 172 -0.777 -11.354 -2.789 1.00 22.42 H new ATOM 0 HG2 GLU B 172 -2.611 -9.879 -2.197 1.00 4.33 H new ATOM 0 HG3 GLU B 172 -2.154 -8.730 -3.439 1.00 4.33 H new ATOM 831 N LYS B 173 -0.416 -7.176 -2.462 1.00 75.52 N ATOM 832 CA LYS B 173 -0.394 -5.806 -2.925 1.00 52.14 C ATOM 833 C LYS B 173 0.960 -5.185 -2.600 1.00 13.42 C ATOM 834 O LYS B 173 1.578 -4.525 -3.436 1.00 22.05 O ATOM 835 CB LYS B 173 -1.511 -5.032 -2.221 1.00 52.11 C ATOM 836 CG LYS B 173 -2.894 -5.676 -2.335 1.00 23.24 C ATOM 837 CD LYS B 173 -3.465 -5.639 -3.733 1.00 32.34 C ATOM 838 CE LYS B 173 -4.674 -6.546 -3.854 1.00 65.44 C ATOM 839 NZ LYS B 173 -5.217 -6.582 -5.225 1.00 43.00 N1+ ATOM 0 H LYS B 173 -1.122 -7.356 -1.749 1.00 75.52 H new ATOM 0 HA LYS B 173 -0.549 -5.769 -4.003 1.00 52.14 H new ATOM 0 HB2 LYS B 173 -1.257 -4.930 -1.166 1.00 52.11 H new ATOM 0 HB3 LYS B 173 -1.557 -4.025 -2.637 1.00 52.11 H new ATOM 0 HG2 LYS B 173 -2.831 -6.713 -2.005 1.00 23.24 H new ATOM 0 HG3 LYS B 173 -3.580 -5.167 -1.658 1.00 23.24 H new ATOM 0 HD2 LYS B 173 -3.747 -4.617 -3.987 1.00 32.34 H new ATOM 0 HD3 LYS B 173 -2.703 -5.947 -4.449 1.00 32.34 H new ATOM 0 HE2 LYS B 173 -4.399 -7.556 -3.549 1.00 65.44 H new ATOM 0 HE3 LYS B 173 -5.450 -6.206 -3.168 1.00 65.44 H new ATOM 0 HZ1 LYS B 173 -5.976 -7.291 -5.279 1.00 43.00 H new ATOM 0 HZ2 LYS B 173 -5.598 -5.647 -5.472 1.00 43.00 H new ATOM 0 HZ3 LYS B 173 -4.460 -6.834 -5.892 1.00 43.00 H new ATOM 853 N LEU B 174 1.414 -5.443 -1.380 1.00 32.33 N ATOM 854 CA LEU B 174 2.698 -4.991 -0.896 1.00 44.15 C ATOM 855 C LEU B 174 3.811 -5.558 -1.755 1.00 4.04 C ATOM 856 O LEU B 174 4.643 -4.817 -2.250 1.00 43.44 O ATOM 857 CB LEU B 174 2.891 -5.438 0.559 1.00 22.15 C ATOM 858 CG LEU B 174 4.225 -5.088 1.221 1.00 32.13 C ATOM 859 CD1 LEU B 174 4.405 -3.585 1.320 1.00 13.11 C ATOM 860 CD2 LEU B 174 4.319 -5.737 2.590 1.00 43.15 C ATOM 0 H LEU B 174 0.886 -5.982 -0.693 1.00 32.33 H new ATOM 0 HA LEU B 174 2.730 -3.903 -0.948 1.00 44.15 H new ATOM 0 HB2 LEU B 174 2.091 -5.001 1.157 1.00 22.15 H new ATOM 0 HB3 LEU B 174 2.765 -6.520 0.601 1.00 22.15 H new ATOM 0 HG LEU B 174 5.030 -5.478 0.598 1.00 32.13 H new ATOM 0 HD11 LEU B 174 5.361 -3.364 1.794 1.00 13.11 H new ATOM 0 HD12 LEU B 174 4.386 -3.150 0.321 1.00 13.11 H new ATOM 0 HD13 LEU B 174 3.597 -3.160 1.916 1.00 13.11 H new ATOM 0 HD21 LEU B 174 5.273 -5.480 3.050 1.00 43.15 H new ATOM 0 HD22 LEU B 174 3.504 -5.378 3.219 1.00 43.15 H new ATOM 0 HD23 LEU B 174 4.247 -6.820 2.485 1.00 43.15 H new ATOM 872 N GLU B 175 3.774 -6.872 -1.974 1.00 64.22 N ATOM 873 CA GLU B 175 4.756 -7.584 -2.711 1.00 34.22 C ATOM 874 C GLU B 175 4.947 -7.061 -4.131 1.00 30.54 C ATOM 875 O GLU B 175 6.051 -7.115 -4.663 1.00 40.22 O ATOM 876 CB GLU B 175 4.388 -9.035 -2.695 1.00 31.20 C ATOM 877 CG GLU B 175 4.709 -9.724 -1.386 1.00 63.55 C ATOM 878 CD GLU B 175 4.250 -11.156 -1.339 1.00 72.13 C ATOM 879 OE1 GLU B 175 4.815 -12.003 -2.062 1.00 5.21 O ATOM 880 OE2 GLU B 175 3.343 -11.474 -0.549 1.00 12.05 O1- ATOM 0 H GLU B 175 3.025 -7.468 -1.622 1.00 64.22 H new ATOM 0 HA GLU B 175 5.724 -7.435 -2.233 1.00 34.22 H new ATOM 0 HB2 GLU B 175 3.321 -9.134 -2.897 1.00 31.20 H new ATOM 0 HB3 GLU B 175 4.913 -9.544 -3.503 1.00 31.20 H new ATOM 0 HG2 GLU B 175 5.786 -9.689 -1.220 1.00 63.55 H new ATOM 0 HG3 GLU B 175 4.242 -9.173 -0.569 1.00 63.55 H new ATOM 887 N GLN B 176 3.889 -6.548 -4.730 1.00 53.05 N ATOM 888 CA GLN B 176 3.970 -5.947 -6.046 1.00 51.12 C ATOM 889 C GLN B 176 4.807 -4.687 -5.986 1.00 15.23 C ATOM 890 O GLN B 176 5.809 -4.536 -6.705 1.00 25.45 O ATOM 891 CB GLN B 176 2.590 -5.575 -6.527 1.00 22.05 C ATOM 892 CG GLN B 176 1.661 -6.733 -6.736 1.00 3.54 C ATOM 893 CD GLN B 176 2.156 -7.688 -7.796 1.00 35.11 C ATOM 894 OE1 GLN B 176 2.865 -8.657 -7.506 1.00 25.33 O ATOM 895 NE2 GLN B 176 1.821 -7.414 -9.026 1.00 12.14 N ATOM 0 H GLN B 176 2.955 -6.536 -4.320 1.00 53.05 H new ATOM 0 HA GLN B 176 4.423 -6.667 -6.728 1.00 51.12 H new ATOM 0 HB2 GLN B 176 2.141 -4.893 -5.805 1.00 22.05 H new ATOM 0 HB3 GLN B 176 2.683 -5.029 -7.466 1.00 22.05 H new ATOM 0 HG2 GLN B 176 1.539 -7.271 -5.796 1.00 3.54 H new ATOM 0 HG3 GLN B 176 0.677 -6.359 -7.020 1.00 3.54 H new ATOM 0 HE21 GLN B 176 1.234 -6.605 -9.226 1.00 12.14 H new ATOM 0 HE22 GLN B 176 2.146 -8.009 -9.788 1.00 12.14 H new ATOM 904 N LEU B 177 4.418 -3.816 -5.091 1.00 55.23 N ATOM 905 CA LEU B 177 5.054 -2.527 -4.932 1.00 50.03 C ATOM 906 C LEU B 177 6.421 -2.632 -4.323 1.00 2.24 C ATOM 907 O LEU B 177 7.206 -1.739 -4.452 1.00 11.31 O ATOM 908 CB LEU B 177 4.175 -1.605 -4.128 1.00 4.33 C ATOM 909 CG LEU B 177 4.622 -0.164 -4.058 1.00 13.40 C ATOM 910 CD1 LEU B 177 4.633 0.425 -5.461 1.00 11.02 C ATOM 911 CD2 LEU B 177 3.721 0.638 -3.136 1.00 54.44 C ATOM 0 H LEU B 177 3.645 -3.979 -4.445 1.00 55.23 H new ATOM 0 HA LEU B 177 5.189 -2.107 -5.929 1.00 50.03 H new ATOM 0 HB2 LEU B 177 3.170 -1.634 -4.549 1.00 4.33 H new ATOM 0 HB3 LEU B 177 4.106 -1.994 -3.112 1.00 4.33 H new ATOM 0 HG LEU B 177 5.630 -0.120 -3.645 1.00 13.40 H new ATOM 0 HD11 LEU B 177 4.955 1.465 -5.416 1.00 11.02 H new ATOM 0 HD12 LEU B 177 5.322 -0.141 -6.088 1.00 11.02 H new ATOM 0 HD13 LEU B 177 3.630 0.373 -5.885 1.00 11.02 H new ATOM 0 HD21 LEU B 177 4.063 1.672 -3.102 1.00 54.44 H new ATOM 0 HD22 LEU B 177 2.698 0.606 -3.510 1.00 54.44 H new ATOM 0 HD23 LEU B 177 3.755 0.212 -2.133 1.00 54.44 H new ATOM 923 N GLN B 178 6.699 -3.716 -3.667 1.00 31.43 N ATOM 924 CA GLN B 178 8.045 -3.972 -3.091 1.00 34.22 C ATOM 925 C GLN B 178 9.201 -3.854 -4.103 1.00 43.53 C ATOM 926 O GLN B 178 10.334 -3.592 -3.718 1.00 33.40 O ATOM 927 CB GLN B 178 8.113 -5.269 -2.290 1.00 22.20 C ATOM 928 CG GLN B 178 7.433 -5.157 -0.936 1.00 63.12 C ATOM 929 CD GLN B 178 8.126 -4.153 -0.020 1.00 52.34 C ATOM 930 OE1 GLN B 178 7.827 -2.960 -0.037 1.00 3.53 O ATOM 931 NE2 GLN B 178 9.029 -4.622 0.796 1.00 12.22 N ATOM 0 H GLN B 178 6.025 -4.463 -3.499 1.00 31.43 H new ATOM 0 HA GLN B 178 8.196 -3.155 -2.385 1.00 34.22 H new ATOM 0 HB2 GLN B 178 7.645 -6.070 -2.862 1.00 22.20 H new ATOM 0 HB3 GLN B 178 9.157 -5.548 -2.146 1.00 22.20 H new ATOM 0 HG2 GLN B 178 6.394 -4.859 -1.077 1.00 63.12 H new ATOM 0 HG3 GLN B 178 7.422 -6.135 -0.456 1.00 63.12 H new ATOM 0 HE21 GLN B 178 9.257 -5.616 0.788 1.00 12.22 H new ATOM 0 HE22 GLN B 178 9.508 -3.995 1.442 1.00 12.22 H new ATOM 940 N SER B 179 8.892 -3.944 -5.393 1.00 11.02 N ATOM 941 CA SER B 179 9.889 -3.746 -6.460 1.00 25.41 C ATOM 942 C SER B 179 10.153 -2.213 -6.664 1.00 10.24 C ATOM 943 O SER B 179 10.797 -1.786 -7.617 1.00 40.01 O ATOM 944 CB SER B 179 9.378 -4.413 -7.761 1.00 32.12 C ATOM 945 OG SER B 179 10.322 -4.362 -8.827 1.00 64.32 O ATOM 0 H SER B 179 7.954 -4.154 -5.735 1.00 11.02 H new ATOM 0 HA SER B 179 10.835 -4.211 -6.182 1.00 25.41 H new ATOM 0 HB2 SER B 179 9.129 -5.454 -7.554 1.00 32.12 H new ATOM 0 HB3 SER B 179 8.457 -3.922 -8.076 1.00 32.12 H new ATOM 0 HG SER B 179 10.833 -3.527 -8.772 1.00 64.32 H new ATOM 951 N HIS B 180 9.625 -1.428 -5.744 1.00 24.01 N ATOM 952 CA HIS B 180 9.746 0.034 -5.691 1.00 14.12 C ATOM 953 C HIS B 180 11.183 0.529 -5.710 1.00 13.51 C ATOM 954 O HIS B 180 12.084 -0.093 -5.133 1.00 60.24 O ATOM 955 CB HIS B 180 9.030 0.594 -4.441 1.00 1.42 C ATOM 956 CG HIS B 180 9.448 -0.016 -3.093 1.00 74.51 C ATOM 957 ND1 HIS B 180 10.756 -0.142 -2.656 1.00 63.40 N ATOM 958 CD2 HIS B 180 8.692 -0.578 -2.122 1.00 44.44 C ATOM 959 CE1 HIS B 180 10.773 -0.758 -1.492 1.00 71.54 C ATOM 960 NE2 HIS B 180 9.534 -1.027 -1.152 1.00 34.33 N ATOM 0 H HIS B 180 9.072 -1.801 -4.972 1.00 24.01 H new ATOM 0 HA HIS B 180 9.268 0.402 -6.599 1.00 14.12 H new ATOM 0 HB2 HIS B 180 9.203 1.669 -4.399 1.00 1.42 H new ATOM 0 HB3 HIS B 180 7.957 0.448 -4.566 1.00 1.42 H new ATOM 0 HD1 HIS B 180 11.579 0.191 -3.158 1.00 63.40 H new ATOM 0 HD2 HIS B 180 7.615 -0.656 -2.118 1.00 44.44 H new ATOM 0 HE1 HIS B 180 11.654 -1.000 -0.917 1.00 71.54 H new ATOM 0 HE2 HIS B 180 9.247 -1.499 -0.294 1.00 34.33 H new ATOM 969 N GLU B 181 11.380 1.648 -6.344 1.00 2.23 N ATOM 970 CA GLU B 181 12.676 2.269 -6.402 1.00 3.54 C ATOM 971 C GLU B 181 12.670 3.565 -5.592 1.00 21.45 C ATOM 972 O GLU B 181 13.516 3.768 -4.728 1.00 41.00 O ATOM 973 CB GLU B 181 13.049 2.553 -7.844 1.00 22.41 C ATOM 974 CG GLU B 181 13.020 1.327 -8.733 1.00 21.45 C ATOM 975 CD GLU B 181 13.430 1.642 -10.132 1.00 4.11 C ATOM 976 OE1 GLU B 181 14.646 1.595 -10.423 1.00 34.25 O1- ATOM 977 OE2 GLU B 181 12.563 1.954 -10.969 1.00 21.44 O ATOM 0 H GLU B 181 10.647 2.158 -6.837 1.00 2.23 H new ATOM 0 HA GLU B 181 13.416 1.592 -5.975 1.00 3.54 H new ATOM 0 HB2 GLU B 181 12.364 3.299 -8.247 1.00 22.41 H new ATOM 0 HB3 GLU B 181 14.048 2.988 -7.873 1.00 22.41 H new ATOM 0 HG2 GLU B 181 13.684 0.566 -8.323 1.00 21.45 H new ATOM 0 HG3 GLU B 181 12.015 0.905 -8.736 1.00 21.45 H new ATOM 984 N ASN B 182 11.673 4.395 -5.858 1.00 1.10 N ATOM 985 CA ASN B 182 11.497 5.713 -5.221 1.00 51.53 C ATOM 986 C ASN B 182 11.380 5.591 -3.734 1.00 31.02 C ATOM 987 O ASN B 182 10.662 4.738 -3.180 1.00 72.11 O ATOM 988 CB ASN B 182 10.305 6.469 -5.877 1.00 70.24 C ATOM 989 CG ASN B 182 10.081 7.932 -5.436 1.00 71.13 C ATOM 990 OD1 ASN B 182 10.368 8.331 -4.313 1.00 53.24 O ATOM 991 ND2 ASN B 182 9.546 8.732 -6.322 1.00 41.44 N ATOM 0 H ASN B 182 10.943 4.177 -6.536 1.00 1.10 H new ATOM 0 HA ASN B 182 12.389 6.316 -5.393 1.00 51.53 H new ATOM 0 HB2 ASN B 182 10.449 6.458 -6.957 1.00 70.24 H new ATOM 0 HB3 ASN B 182 9.393 5.909 -5.671 1.00 70.24 H new ATOM 0 HD21 ASN B 182 9.361 9.706 -6.083 1.00 41.44 H new ATOM 0 HD22 ASN B 182 9.314 8.382 -7.251 1.00 41.44 H new ATOM 998 N GLU B 183 12.067 6.493 -3.132 1.00 21.41 N ATOM 999 CA GLU B 183 12.309 6.586 -1.744 1.00 75.53 C ATOM 1000 C GLU B 183 11.028 6.948 -0.991 1.00 53.13 C ATOM 1001 O GLU B 183 10.892 6.716 0.213 1.00 62.23 O ATOM 1002 CB GLU B 183 13.355 7.654 -1.607 1.00 4.41 C ATOM 1003 CG GLU B 183 12.819 9.076 -1.755 1.00 71.12 C ATOM 1004 CD GLU B 183 13.894 10.082 -2.021 1.00 70.35 C ATOM 1005 OE1 GLU B 183 14.322 10.209 -3.177 1.00 10.34 O1- ATOM 1006 OE2 GLU B 183 14.329 10.771 -1.087 1.00 74.32 O ATOM 0 H GLU B 183 12.513 7.251 -3.648 1.00 21.41 H new ATOM 0 HA GLU B 183 12.643 5.641 -1.316 1.00 75.53 H new ATOM 0 HB2 GLU B 183 13.832 7.557 -0.632 1.00 4.41 H new ATOM 0 HB3 GLU B 183 14.128 7.489 -2.358 1.00 4.41 H new ATOM 0 HG2 GLU B 183 12.095 9.102 -2.569 1.00 71.12 H new ATOM 0 HG3 GLU B 183 12.286 9.354 -0.846 1.00 71.12 H new ATOM 1013 N LYS B 184 10.115 7.526 -1.702 1.00 31.52 N ATOM 1014 CA LYS B 184 8.845 7.836 -1.174 1.00 55.01 C ATOM 1015 C LYS B 184 7.976 6.626 -1.221 1.00 72.22 C ATOM 1016 O LYS B 184 7.372 6.257 -0.232 1.00 13.24 O ATOM 1017 CB LYS B 184 8.214 9.003 -1.922 1.00 13.15 C ATOM 1018 CG LYS B 184 8.570 10.361 -1.345 1.00 23.11 C ATOM 1019 CD LYS B 184 7.443 10.909 -0.446 1.00 51.20 C ATOM 1020 CE LYS B 184 7.028 9.935 0.663 1.00 41.21 C ATOM 1021 NZ LYS B 184 5.898 10.442 1.471 1.00 13.42 N1+ ATOM 0 H LYS B 184 10.241 7.796 -2.678 1.00 31.52 H new ATOM 0 HA LYS B 184 8.957 8.144 -0.134 1.00 55.01 H new ATOM 0 HB2 LYS B 184 8.529 8.967 -2.965 1.00 13.15 H new ATOM 0 HB3 LYS B 184 7.130 8.886 -1.912 1.00 13.15 H new ATOM 0 HG2 LYS B 184 9.491 10.281 -0.767 1.00 23.11 H new ATOM 0 HG3 LYS B 184 8.763 11.063 -2.157 1.00 23.11 H new ATOM 0 HD2 LYS B 184 7.770 11.846 0.006 1.00 51.20 H new ATOM 0 HD3 LYS B 184 6.574 11.139 -1.063 1.00 51.20 H new ATOM 0 HE2 LYS B 184 6.751 8.979 0.218 1.00 41.21 H new ATOM 0 HE3 LYS B 184 7.881 9.748 1.315 1.00 41.21 H new ATOM 0 HZ1 LYS B 184 5.358 9.640 1.854 1.00 13.42 H new ATOM 0 HZ2 LYS B 184 6.263 11.019 2.255 1.00 13.42 H new ATOM 0 HZ3 LYS B 184 5.277 11.024 0.873 1.00 13.42 H new ATOM 1035 N ILE B 185 8.026 5.944 -2.346 1.00 60.21 N ATOM 1036 CA ILE B 185 7.184 4.793 -2.596 1.00 75.21 C ATOM 1037 C ILE B 185 7.478 3.668 -1.607 1.00 0.43 C ATOM 1038 O ILE B 185 6.568 2.997 -1.127 1.00 60.43 O ATOM 1039 CB ILE B 185 7.337 4.285 -4.055 1.00 72.20 C ATOM 1040 CG1 ILE B 185 6.842 5.367 -5.024 1.00 53.13 C ATOM 1041 CG2 ILE B 185 6.580 2.976 -4.260 1.00 64.03 C ATOM 1042 CD1 ILE B 185 6.903 4.996 -6.484 1.00 52.31 C ATOM 0 H ILE B 185 8.654 6.173 -3.116 1.00 60.21 H new ATOM 0 HA ILE B 185 6.151 5.112 -2.455 1.00 75.21 H new ATOM 0 HB ILE B 185 8.390 4.085 -4.255 1.00 72.20 H new ATOM 0 HG12 ILE B 185 5.811 5.615 -4.771 1.00 53.13 H new ATOM 0 HG13 ILE B 185 7.434 6.269 -4.870 1.00 53.13 H new ATOM 0 HG21 ILE B 185 6.703 2.642 -5.290 1.00 64.03 H new ATOM 0 HG22 ILE B 185 6.974 2.218 -3.583 1.00 64.03 H new ATOM 0 HG23 ILE B 185 5.521 3.132 -4.054 1.00 64.03 H new ATOM 0 HD11 ILE B 185 6.532 5.826 -7.086 1.00 52.31 H new ATOM 0 HD12 ILE B 185 7.935 4.779 -6.761 1.00 52.31 H new ATOM 0 HD13 ILE B 185 6.287 4.115 -6.662 1.00 52.31 H new ATOM 1054 N GLN B 186 8.752 3.493 -1.280 1.00 51.04 N ATOM 1055 CA GLN B 186 9.162 2.469 -0.336 1.00 13.34 C ATOM 1056 C GLN B 186 8.501 2.678 1.014 1.00 43.21 C ATOM 1057 O GLN B 186 7.938 1.766 1.592 1.00 14.42 O ATOM 1058 CB GLN B 186 10.687 2.421 -0.201 1.00 3.31 C ATOM 1059 CG GLN B 186 11.365 3.646 0.400 1.00 30.13 C ATOM 1060 CD GLN B 186 12.872 3.527 0.418 1.00 33.34 C ATOM 1061 OE1 GLN B 186 13.465 2.884 -0.445 1.00 41.14 O ATOM 1062 NE2 GLN B 186 13.501 4.133 1.387 1.00 12.44 N ATOM 0 H GLN B 186 9.519 4.050 -1.657 1.00 51.04 H new ATOM 0 HA GLN B 186 8.832 1.505 -0.725 1.00 13.34 H new ATOM 0 HB2 GLN B 186 10.946 1.556 0.409 1.00 3.31 H new ATOM 0 HB3 GLN B 186 11.110 2.251 -1.191 1.00 3.31 H new ATOM 0 HG2 GLN B 186 11.081 4.530 -0.171 1.00 30.13 H new ATOM 0 HG3 GLN B 186 11.004 3.794 1.418 1.00 30.13 H new ATOM 0 HE21 GLN B 186 12.976 4.658 2.086 1.00 12.44 H new ATOM 0 HE22 GLN B 186 14.518 4.082 1.445 1.00 12.44 H new ATOM 1071 N LYS B 187 8.524 3.900 1.448 1.00 22.52 N ATOM 1072 CA LYS B 187 7.978 4.304 2.715 1.00 74.33 C ATOM 1073 C LYS B 187 6.457 4.182 2.726 1.00 72.42 C ATOM 1074 O LYS B 187 5.871 3.749 3.719 1.00 44.24 O ATOM 1075 CB LYS B 187 8.411 5.732 2.999 1.00 51.52 C ATOM 1076 CG LYS B 187 7.998 6.289 4.352 1.00 61.53 C ATOM 1077 CD LYS B 187 8.553 5.473 5.526 1.00 22.21 C ATOM 1078 CE LYS B 187 10.076 5.364 5.494 1.00 31.44 C ATOM 1079 NZ LYS B 187 10.743 6.683 5.516 1.00 31.33 N1+ ATOM 0 H LYS B 187 8.934 4.669 0.918 1.00 22.52 H new ATOM 0 HA LYS B 187 8.356 3.645 3.497 1.00 74.33 H new ATOM 0 HB2 LYS B 187 9.497 5.785 2.921 1.00 51.52 H new ATOM 0 HB3 LYS B 187 8.003 6.377 2.221 1.00 51.52 H new ATOM 0 HG2 LYS B 187 8.344 7.319 4.436 1.00 61.53 H new ATOM 0 HG3 LYS B 187 6.910 6.312 4.414 1.00 61.53 H new ATOM 0 HD2 LYS B 187 8.245 5.935 6.464 1.00 22.21 H new ATOM 0 HD3 LYS B 187 8.120 4.473 5.506 1.00 22.21 H new ATOM 0 HE2 LYS B 187 10.412 4.777 6.349 1.00 31.44 H new ATOM 0 HE3 LYS B 187 10.379 4.823 4.597 1.00 31.44 H new ATOM 0 HZ1 LYS B 187 11.774 6.550 5.544 1.00 31.33 H new ATOM 0 HZ2 LYS B 187 10.486 7.216 4.661 1.00 31.33 H new ATOM 0 HZ3 LYS B 187 10.439 7.212 6.358 1.00 31.33 H new ATOM 1093 N GLU B 188 5.833 4.535 1.624 1.00 1.40 N ATOM 1094 CA GLU B 188 4.387 4.454 1.517 1.00 41.11 C ATOM 1095 C GLU B 188 3.947 2.973 1.476 1.00 55.30 C ATOM 1096 O GLU B 188 2.839 2.628 1.869 1.00 1.32 O ATOM 1097 CB GLU B 188 3.900 5.169 0.266 1.00 0.21 C ATOM 1098 CG GLU B 188 4.396 6.608 0.083 1.00 71.14 C ATOM 1099 CD GLU B 188 3.976 7.576 1.164 1.00 11.41 C ATOM 1100 OE1 GLU B 188 2.829 8.038 1.136 1.00 31.44 O ATOM 1101 OE2 GLU B 188 4.813 7.951 2.024 1.00 62.41 O1- ATOM 0 H GLU B 188 6.302 4.882 0.787 1.00 1.40 H new ATOM 0 HA GLU B 188 3.948 4.940 2.388 1.00 41.11 H new ATOM 0 HB2 GLU B 188 4.204 4.587 -0.604 1.00 0.21 H new ATOM 0 HB3 GLU B 188 2.810 5.179 0.277 1.00 0.21 H new ATOM 0 HG2 GLU B 188 5.485 6.596 0.031 1.00 71.14 H new ATOM 0 HG3 GLU B 188 4.035 6.980 -0.876 1.00 71.14 H new ATOM 1108 N ALA B 189 4.830 2.110 0.985 1.00 22.15 N ATOM 1109 CA ALA B 189 4.580 0.677 0.967 1.00 34.34 C ATOM 1110 C ALA B 189 4.700 0.118 2.378 1.00 10.01 C ATOM 1111 O ALA B 189 3.869 -0.690 2.821 1.00 70.11 O ATOM 1112 CB ALA B 189 5.560 -0.025 0.036 1.00 52.44 C ATOM 0 H ALA B 189 5.731 2.383 0.592 1.00 22.15 H new ATOM 0 HA ALA B 189 3.570 0.500 0.597 1.00 34.34 H new ATOM 0 HB1 ALA B 189 5.358 -1.096 0.035 1.00 52.44 H new ATOM 0 HB2 ALA B 189 5.446 0.366 -0.975 1.00 52.44 H new ATOM 0 HB3 ALA B 189 6.579 0.152 0.380 1.00 52.44 H new ATOM 1118 N GLN B 190 5.719 0.599 3.102 1.00 64.45 N ATOM 1119 CA GLN B 190 5.972 0.185 4.483 1.00 73.23 C ATOM 1120 C GLN B 190 4.808 0.531 5.393 1.00 61.30 C ATOM 1121 O GLN B 190 4.662 -0.064 6.446 1.00 21.21 O ATOM 1122 CB GLN B 190 7.253 0.803 5.034 1.00 2.33 C ATOM 1123 CG GLN B 190 8.507 0.408 4.283 1.00 20.12 C ATOM 1124 CD GLN B 190 9.758 0.970 4.914 1.00 2.31 C ATOM 1125 OE1 GLN B 190 9.736 2.029 5.542 1.00 32.22 O ATOM 1126 NE2 GLN B 190 10.848 0.284 4.751 1.00 62.14 N ATOM 0 H GLN B 190 6.387 1.283 2.746 1.00 64.45 H new ATOM 0 HA GLN B 190 6.090 -0.898 4.462 1.00 73.23 H new ATOM 0 HB2 GLN B 190 7.157 1.889 5.013 1.00 2.33 H new ATOM 0 HB3 GLN B 190 7.363 0.513 6.079 1.00 2.33 H new ATOM 0 HG2 GLN B 190 8.578 -0.679 4.247 1.00 20.12 H new ATOM 0 HG3 GLN B 190 8.435 0.757 3.253 1.00 20.12 H new ATOM 0 HE21 GLN B 190 10.827 -0.589 4.224 1.00 62.14 H new ATOM 0 HE22 GLN B 190 11.725 0.618 5.150 1.00 62.14 H new ATOM 1135 N GLU B 191 3.991 1.482 4.965 1.00 20.43 N ATOM 1136 CA GLU B 191 2.805 1.906 5.684 1.00 21.04 C ATOM 1137 C GLU B 191 1.902 0.701 6.004 1.00 11.53 C ATOM 1138 O GLU B 191 1.737 0.339 7.158 1.00 43.14 O ATOM 1139 CB GLU B 191 2.051 2.926 4.820 1.00 13.23 C ATOM 1140 CG GLU B 191 0.708 3.376 5.354 1.00 73.14 C ATOM 1141 CD GLU B 191 0.793 4.188 6.613 1.00 25.30 C ATOM 1142 OE1 GLU B 191 1.111 3.634 7.677 1.00 63.00 O ATOM 1143 OE2 GLU B 191 0.514 5.393 6.565 1.00 14.54 O1- ATOM 0 H GLU B 191 4.139 1.988 4.092 1.00 20.43 H new ATOM 0 HA GLU B 191 3.094 2.363 6.630 1.00 21.04 H new ATOM 0 HB2 GLU B 191 2.683 3.805 4.693 1.00 13.23 H new ATOM 0 HB3 GLU B 191 1.901 2.495 3.830 1.00 13.23 H new ATOM 0 HG2 GLU B 191 0.202 3.964 4.588 1.00 73.14 H new ATOM 0 HG3 GLU B 191 0.090 2.498 5.541 1.00 73.14 H new ATOM 1150 N ALA B 192 1.419 0.021 4.971 1.00 12.05 N ATOM 1151 CA ALA B 192 0.501 -1.106 5.169 1.00 52.44 C ATOM 1152 C ALA B 192 1.239 -2.297 5.735 1.00 63.31 C ATOM 1153 O ALA B 192 0.669 -3.060 6.500 1.00 62.12 O ATOM 1154 CB ALA B 192 -0.203 -1.482 3.863 1.00 12.11 C ATOM 0 H ALA B 192 1.641 0.223 3.996 1.00 12.05 H new ATOM 0 HA ALA B 192 -0.261 -0.797 5.884 1.00 52.44 H new ATOM 0 HB1 ALA B 192 -0.877 -2.320 4.041 1.00 12.11 H new ATOM 0 HB2 ALA B 192 -0.774 -0.628 3.499 1.00 12.11 H new ATOM 0 HB3 ALA B 192 0.540 -1.766 3.118 1.00 12.11 H new ATOM 1160 N LEU B 193 2.526 -2.401 5.391 1.00 21.32 N ATOM 1161 CA LEU B 193 3.418 -3.473 5.818 1.00 65.15 C ATOM 1162 C LEU B 193 3.370 -3.569 7.319 1.00 0.51 C ATOM 1163 O LEU B 193 2.971 -4.582 7.905 1.00 31.01 O ATOM 1164 CB LEU B 193 4.836 -3.060 5.384 1.00 24.10 C ATOM 1165 CG LEU B 193 5.983 -4.070 5.487 1.00 35.55 C ATOM 1166 CD1 LEU B 193 7.106 -3.650 4.553 1.00 41.22 C ATOM 1167 CD2 LEU B 193 6.518 -4.083 6.901 1.00 3.03 C ATOM 0 H LEU B 193 2.986 -1.718 4.789 1.00 21.32 H new ATOM 0 HA LEU B 193 3.134 -4.433 5.386 1.00 65.15 H new ATOM 0 HB2 LEU B 193 4.778 -2.737 4.344 1.00 24.10 H new ATOM 0 HB3 LEU B 193 5.116 -2.187 5.973 1.00 24.10 H new ATOM 0 HG LEU B 193 5.616 -5.060 5.216 1.00 35.55 H new ATOM 0 HD11 LEU B 193 7.925 -4.366 4.623 1.00 41.22 H new ATOM 0 HD12 LEU B 193 6.736 -3.622 3.528 1.00 41.22 H new ATOM 0 HD13 LEU B 193 7.464 -2.660 4.837 1.00 41.22 H new ATOM 0 HD21 LEU B 193 7.334 -4.802 6.975 1.00 3.03 H new ATOM 0 HD22 LEU B 193 6.884 -3.090 7.160 1.00 3.03 H new ATOM 0 HD23 LEU B 193 5.721 -4.367 7.589 1.00 3.03 H new ATOM 1179 N GLU B 194 3.753 -2.473 7.899 1.00 32.42 N ATOM 1180 CA GLU B 194 3.832 -2.240 9.223 1.00 1.13 C ATOM 1181 C GLU B 194 2.534 -2.518 9.927 1.00 25.31 C ATOM 1182 O GLU B 194 2.449 -3.356 10.833 1.00 45.10 O ATOM 1183 CB GLU B 194 4.114 -0.784 9.283 1.00 42.50 C ATOM 1184 CG GLU B 194 4.074 -0.318 10.642 1.00 61.52 C ATOM 1185 CD GLU B 194 4.506 1.094 10.846 1.00 43.35 C ATOM 1186 OE1 GLU B 194 5.715 1.362 10.897 1.00 73.13 O ATOM 1187 OE2 GLU B 194 3.639 1.961 11.024 1.00 14.30 O1- ATOM 0 H GLU B 194 4.039 -1.660 7.354 1.00 32.42 H new ATOM 0 HA GLU B 194 4.577 -2.873 9.705 1.00 1.13 H new ATOM 0 HB2 GLU B 194 5.094 -0.579 8.851 1.00 42.50 H new ATOM 0 HB3 GLU B 194 3.382 -0.241 8.685 1.00 42.50 H new ATOM 0 HG2 GLU B 194 3.056 -0.426 11.016 1.00 61.52 H new ATOM 0 HG3 GLU B 194 4.707 -0.965 11.249 1.00 61.52 H new ATOM 1194 N LYS B 195 1.566 -1.797 9.496 1.00 35.45 N ATOM 1195 CA LYS B 195 0.294 -1.779 10.041 1.00 0.22 C ATOM 1196 C LYS B 195 -0.377 -3.155 10.078 1.00 34.32 C ATOM 1197 O LYS B 195 -0.950 -3.522 11.102 1.00 24.42 O ATOM 1198 CB LYS B 195 -0.543 -0.772 9.288 1.00 52.22 C ATOM 1199 CG LYS B 195 -0.114 0.694 9.421 1.00 23.11 C ATOM 1200 CD LYS B 195 -0.058 1.154 10.863 1.00 42.32 C ATOM 1201 CE LYS B 195 0.161 2.662 10.968 1.00 61.10 C ATOM 1202 NZ LYS B 195 1.370 3.129 10.256 1.00 34.23 N1+ ATOM 0 H LYS B 195 1.666 -1.168 8.699 1.00 35.45 H new ATOM 0 HA LYS B 195 0.382 -1.484 11.087 1.00 0.22 H new ATOM 0 HB2 LYS B 195 -0.532 -1.038 8.231 1.00 52.22 H new ATOM 0 HB3 LYS B 195 -1.575 -0.860 9.628 1.00 52.22 H new ATOM 0 HG2 LYS B 195 0.866 0.825 8.963 1.00 23.11 H new ATOM 0 HG3 LYS B 195 -0.811 1.325 8.869 1.00 23.11 H new ATOM 0 HD2 LYS B 195 -0.987 0.885 11.367 1.00 42.32 H new ATOM 0 HD3 LYS B 195 0.748 0.633 11.380 1.00 42.32 H new ATOM 0 HE2 LYS B 195 -0.711 3.178 10.566 1.00 61.10 H new ATOM 0 HE3 LYS B 195 0.238 2.939 12.020 1.00 61.10 H new ATOM 0 HZ1 LYS B 195 1.684 4.034 10.662 1.00 34.23 H new ATOM 0 HZ2 LYS B 195 2.127 2.423 10.357 1.00 34.23 H new ATOM 0 HZ3 LYS B 195 1.151 3.259 9.248 1.00 34.23 H new ATOM 1216 N LEU B 196 -0.294 -3.923 9.007 1.00 42.45 N ATOM 1217 CA LEU B 196 -0.969 -5.146 8.951 1.00 65.11 C ATOM 1218 C LEU B 196 -0.301 -6.233 9.774 1.00 32.01 C ATOM 1219 O LEU B 196 -0.989 -6.988 10.453 1.00 22.43 O ATOM 1220 CB LEU B 196 -1.142 -5.575 7.499 1.00 75.42 C ATOM 1221 CG LEU B 196 0.027 -6.245 6.746 1.00 24.30 C ATOM 1222 CD1 LEU B 196 -0.002 -7.757 6.933 1.00 63.01 C ATOM 1223 CD2 LEU B 196 -0.021 -5.887 5.277 1.00 63.35 C ATOM 0 H LEU B 196 0.246 -3.693 8.173 1.00 42.45 H new ATOM 0 HA LEU B 196 -1.951 -4.997 9.401 1.00 65.11 H new ATOM 0 HB2 LEU B 196 -1.987 -6.263 7.463 1.00 75.42 H new ATOM 0 HB3 LEU B 196 -1.428 -4.689 6.931 1.00 75.42 H new ATOM 0 HG LEU B 196 0.963 -5.873 7.163 1.00 24.30 H new ATOM 0 HD11 LEU B 196 0.831 -8.206 6.393 1.00 63.01 H new ATOM 0 HD12 LEU B 196 0.083 -7.994 7.994 1.00 63.01 H new ATOM 0 HD13 LEU B 196 -0.941 -8.153 6.546 1.00 63.01 H new ATOM 0 HD21 LEU B 196 0.809 -6.366 4.758 1.00 63.35 H new ATOM 0 HD22 LEU B 196 -0.963 -6.231 4.849 1.00 63.35 H new ATOM 0 HD23 LEU B 196 0.056 -4.806 5.163 1.00 63.35 H new ATOM 1235 N GLN B 197 1.023 -6.294 9.722 1.00 54.12 N ATOM 1236 CA GLN B 197 1.748 -7.389 10.340 1.00 1.52 C ATOM 1237 C GLN B 197 1.517 -7.508 11.835 1.00 14.31 C ATOM 1238 O GLN B 197 1.748 -6.562 12.603 1.00 23.34 O ATOM 1239 CB GLN B 197 3.242 -7.391 10.013 1.00 12.04 C ATOM 1240 CG GLN B 197 3.552 -7.674 8.552 1.00 14.33 C ATOM 1241 CD GLN B 197 5.038 -7.835 8.269 1.00 33.32 C ATOM 1242 OE1 GLN B 197 5.773 -8.416 9.195 1.00 54.42 O flip ATOM 1243 NE2 GLN B 197 5.513 -7.499 7.180 1.00 34.25 N flip ATOM 0 H GLN B 197 1.612 -5.601 9.260 1.00 54.12 H new ATOM 0 HA GLN B 197 1.318 -8.281 9.883 1.00 1.52 H new ATOM 0 HB2 GLN B 197 3.664 -6.423 10.283 1.00 12.04 H new ATOM 0 HB3 GLN B 197 3.738 -8.139 10.631 1.00 12.04 H new ATOM 0 HG2 GLN B 197 3.031 -8.582 8.247 1.00 14.33 H new ATOM 0 HG3 GLN B 197 3.159 -6.861 7.941 1.00 14.33 H new ATOM 0 HE21 GLN B 197 4.920 -7.051 6.481 1.00 34.25 H new ATOM 0 HE22 GLN B 197 6.498 -7.670 6.979 1.00 34.25 H new ATOM 1252 N SER B 198 1.021 -8.650 12.228 1.00 33.54 N ATOM 1253 CA SER B 198 0.770 -8.973 13.603 1.00 12.43 C ATOM 1254 C SER B 198 2.069 -9.312 14.313 1.00 1.54 C ATOM 1255 O SER B 198 3.101 -9.555 13.673 1.00 24.20 O ATOM 1256 CB SER B 198 -0.194 -10.149 13.673 1.00 25.00 C ATOM 1257 OG SER B 198 -1.385 -9.851 12.974 1.00 4.45 O ATOM 0 H SER B 198 0.774 -9.400 11.582 1.00 33.54 H new ATOM 0 HA SER B 198 0.326 -8.111 14.101 1.00 12.43 H new ATOM 0 HB2 SER B 198 0.273 -11.037 13.246 1.00 25.00 H new ATOM 0 HB3 SER B 198 -0.423 -10.378 14.714 1.00 25.00 H new ATOM 0 HG SER B 198 -1.995 -10.616 13.026 1.00 4.45 H new ATOM 1263 N HIS B 199 2.030 -9.315 15.614 1.00 64.41 N ATOM 1264 CA HIS B 199 3.197 -9.623 16.386 1.00 72.30 C ATOM 1265 C HIS B 199 2.883 -10.806 17.275 1.00 63.44 C ATOM 1266 O HIS B 199 2.319 -10.601 18.373 1.00 64.51 O ATOM 1267 CB HIS B 199 3.643 -8.406 17.216 1.00 55.12 C ATOM 1268 CG HIS B 199 4.990 -8.573 17.855 1.00 44.44 C ATOM 1269 ND1 HIS B 199 6.122 -7.972 17.371 1.00 1.01 N ATOM 1270 CD2 HIS B 199 5.384 -9.279 18.940 1.00 11.40 C ATOM 1271 CE1 HIS B 199 7.145 -8.300 18.116 1.00 1.32 C ATOM 1272 NE2 HIS B 199 6.724 -9.091 19.074 1.00 12.31 N ATOM 0 H HIS B 199 1.197 -9.106 16.164 1.00 64.41 H new ATOM 0 HA HIS B 199 4.024 -9.876 15.722 1.00 72.30 H new ATOM 0 HB2 HIS B 199 3.662 -7.526 16.573 1.00 55.12 H new ATOM 0 HB3 HIS B 199 2.903 -8.217 17.993 1.00 55.12 H new ATOM 0 HD2 HIS B 199 4.753 -9.879 19.579 1.00 11.40 H new ATOM 0 HE1 HIS B 199 8.164 -7.975 17.968 1.00 1.32 H new ATOM 0 HE2 HIS B 199 7.309 -9.500 19.803 1.00 12.31 H new TER 1281 HIS B 199