USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 524 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 94 LYS NZ :NH3+ 153:sc= -7.02! (180deg=0) USER MOD Set 1.2: A 107 HIS : no HD1:sc= -8.02! C(o=-15!,f=-13!) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -122:sc= -1.17 (180deg=-3.49!) USER MOD Single : A 96 GLN : amide:sc= -0.0187 K(o=-0.019,f=-1.6!) USER MOD Single : A 97 ASN : amide:sc= -10.1! K(o=-10!,f=-0.61) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 106:sc= 1 USER MOD Single : A 111 ASN : amide:sc= -0.044 X(o=-0.044,f=-0.5) USER MOD Single : A 115 LYS NZ :NH3+ -166:sc= -0.0109 (180deg=-0.223) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.59 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= -7.96! C(o=-8!,f=-16!) USER MOD Single : A 137 ASN : amide:sc= -1.71! C(o=-1.7!,f=-6.6!) USER MOD Single : A 138 TYR OH : rot 148:sc= 0.564 USER MOD Single : A 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 145 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 146 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 148 LYS NZ :NH3+ -165:sc= -0.0136 (180deg=-0.265) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 80 -19.688 -4.891 0.798 1.00 0.00 N ATOM 2 CA ASP A 80 -19.506 -4.695 -0.667 1.00 0.00 C ATOM 3 C ASP A 80 -18.018 -4.724 -0.998 1.00 0.00 C ATOM 4 O ASP A 80 -17.174 -4.622 -0.107 1.00 0.00 O ATOM 5 CB ASP A 80 -20.106 -3.347 -1.076 1.00 0.00 C ATOM 6 CG ASP A 80 -20.218 -3.268 -2.595 1.00 0.00 C ATOM 7 OD1 ASP A 80 -19.953 -4.268 -3.242 1.00 0.00 O ATOM 8 OD2 ASP A 80 -20.569 -2.210 -3.089 1.00 0.00 O ATOM 0 HA ASP A 80 -20.011 -5.492 -1.213 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -21.090 -3.225 -0.623 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -19.482 -2.534 -0.706 1.00 0.00 H new ATOM 15 N SER A 81 -17.701 -4.863 -2.282 1.00 0.00 N ATOM 16 CA SER A 81 -16.306 -4.902 -2.705 1.00 0.00 C ATOM 17 C SER A 81 -15.596 -3.618 -2.294 1.00 0.00 C ATOM 18 O SER A 81 -14.514 -3.654 -1.709 1.00 0.00 O ATOM 19 CB SER A 81 -16.230 -5.060 -4.226 1.00 0.00 C ATOM 20 OG SER A 81 -14.937 -5.528 -4.586 1.00 0.00 O ATOM 0 H SER A 81 -18.381 -4.949 -3.038 1.00 0.00 H new ATOM 0 HA SER A 81 -15.818 -5.750 -2.225 1.00 0.00 H new ATOM 0 HB2 SER A 81 -16.991 -5.761 -4.569 1.00 0.00 H new ATOM 0 HB3 SER A 81 -16.433 -4.106 -4.713 1.00 0.00 H new ATOM 0 HG SER A 81 -14.886 -5.632 -5.559 1.00 0.00 H new ATOM 26 N GLU A 82 -16.212 -2.485 -2.618 1.00 0.00 N ATOM 27 CA GLU A 82 -15.634 -1.187 -2.294 1.00 0.00 C ATOM 28 C GLU A 82 -15.323 -1.102 -0.802 1.00 0.00 C ATOM 29 O GLU A 82 -14.219 -0.725 -0.411 1.00 0.00 O ATOM 30 CB GLU A 82 -16.615 -0.073 -2.700 1.00 0.00 C ATOM 31 CG GLU A 82 -15.863 1.225 -3.027 1.00 0.00 C ATOM 32 CD GLU A 82 -15.166 1.759 -1.781 1.00 0.00 C ATOM 33 OE1 GLU A 82 -15.694 1.561 -0.700 1.00 0.00 O ATOM 34 OE2 GLU A 82 -14.112 2.354 -1.929 1.00 0.00 O ATOM 0 H GLU A 82 -17.108 -2.440 -3.103 1.00 0.00 H new ATOM 0 HA GLU A 82 -14.702 -1.062 -2.845 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -17.194 -0.391 -3.567 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -17.324 0.106 -1.891 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -15.129 1.041 -3.812 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -16.560 1.971 -3.410 1.00 0.00 H new ATOM 41 N GLU A 83 -16.292 -1.472 0.026 1.00 0.00 N ATOM 42 CA GLU A 83 -16.093 -1.442 1.464 1.00 0.00 C ATOM 43 C GLU A 83 -14.949 -2.371 1.851 1.00 0.00 C ATOM 44 O GLU A 83 -14.132 -2.045 2.711 1.00 0.00 O ATOM 45 CB GLU A 83 -17.385 -1.874 2.162 1.00 0.00 C ATOM 46 CG GLU A 83 -18.465 -0.812 1.939 1.00 0.00 C ATOM 47 CD GLU A 83 -18.106 0.466 2.691 1.00 0.00 C ATOM 48 OE1 GLU A 83 -17.834 0.375 3.876 1.00 0.00 O ATOM 49 OE2 GLU A 83 -18.108 1.517 2.070 1.00 0.00 O ATOM 0 H GLU A 83 -17.213 -1.793 -0.272 1.00 0.00 H new ATOM 0 HA GLU A 83 -15.837 -0.429 1.775 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -17.719 -2.835 1.771 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -17.207 -2.009 3.229 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -18.564 -0.601 0.874 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -19.430 -1.186 2.281 1.00 0.00 H new ATOM 56 N GLU A 84 -14.886 -3.522 1.192 1.00 0.00 N ATOM 57 CA GLU A 84 -13.833 -4.489 1.459 1.00 0.00 C ATOM 58 C GLU A 84 -12.474 -3.912 1.048 1.00 0.00 C ATOM 59 O GLU A 84 -11.500 -3.995 1.790 1.00 0.00 O ATOM 60 CB GLU A 84 -14.150 -5.790 0.693 1.00 0.00 C ATOM 61 CG GLU A 84 -12.865 -6.530 0.311 1.00 0.00 C ATOM 62 CD GLU A 84 -11.997 -6.745 1.549 1.00 0.00 C ATOM 63 OE1 GLU A 84 -12.541 -6.722 2.642 1.00 0.00 O ATOM 64 OE2 GLU A 84 -10.803 -6.923 1.385 1.00 0.00 O ATOM 0 H GLU A 84 -15.550 -3.806 0.472 1.00 0.00 H new ATOM 0 HA GLU A 84 -13.785 -4.712 2.525 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -14.776 -6.435 1.309 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -14.720 -5.557 -0.206 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.110 -7.490 -0.142 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -12.314 -5.957 -0.434 1.00 0.00 H new ATOM 71 N LEU A 85 -12.416 -3.345 -0.145 1.00 0.00 N ATOM 72 CA LEU A 85 -11.164 -2.776 -0.635 1.00 0.00 C ATOM 73 C LEU A 85 -10.600 -1.816 0.406 1.00 0.00 C ATOM 74 O LEU A 85 -9.410 -1.844 0.717 1.00 0.00 O ATOM 75 CB LEU A 85 -11.415 -2.019 -1.948 1.00 0.00 C ATOM 76 CG LEU A 85 -10.113 -1.427 -2.491 1.00 0.00 C ATOM 77 CD1 LEU A 85 -9.180 -2.544 -2.984 1.00 0.00 C ATOM 78 CD2 LEU A 85 -10.438 -0.508 -3.665 1.00 0.00 C ATOM 0 H LEU A 85 -13.205 -3.265 -0.786 1.00 0.00 H new ATOM 0 HA LEU A 85 -10.450 -3.580 -0.815 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -11.848 -2.695 -2.686 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -12.140 -1.223 -1.781 1.00 0.00 H new ATOM 0 HG LEU A 85 -9.618 -0.872 -1.694 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -8.258 -2.106 -3.367 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.947 -3.215 -2.157 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -9.672 -3.105 -3.778 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -9.516 -0.081 -4.059 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.936 -1.080 -4.448 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -11.094 0.294 -3.328 1.00 0.00 H new ATOM 90 N LYS A 86 -11.466 -0.970 0.940 1.00 0.00 N ATOM 91 CA LYS A 86 -11.056 0.002 1.950 1.00 0.00 C ATOM 92 C LYS A 86 -10.579 -0.697 3.217 1.00 0.00 C ATOM 93 O LYS A 86 -9.649 -0.232 3.875 1.00 0.00 O ATOM 94 CB LYS A 86 -12.217 0.942 2.249 1.00 0.00 C ATOM 95 CG LYS A 86 -12.461 1.799 1.005 1.00 0.00 C ATOM 96 CD LYS A 86 -13.717 2.658 1.195 1.00 0.00 C ATOM 97 CE LYS A 86 -13.486 3.693 2.306 1.00 0.00 C ATOM 98 NZ LYS A 86 -13.809 3.082 3.624 1.00 0.00 N ATOM 0 H LYS A 86 -12.455 -0.934 0.694 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.219 0.584 1.564 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -13.112 0.374 2.503 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -11.986 1.573 3.107 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.598 2.439 0.820 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -12.577 1.159 0.130 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -13.965 3.164 0.262 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -14.566 2.023 1.449 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -12.450 4.031 2.294 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -14.110 4.570 2.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -14.550 3.641 4.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -14.147 2.109 3.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -12.956 3.068 4.219 1.00 0.00 H new ATOM 112 N GLU A 87 -11.181 -1.841 3.527 1.00 0.00 N ATOM 113 CA GLU A 87 -10.747 -2.605 4.691 1.00 0.00 C ATOM 114 C GLU A 87 -9.321 -3.088 4.443 1.00 0.00 C ATOM 115 O GLU A 87 -8.459 -3.014 5.319 1.00 0.00 O ATOM 116 CB GLU A 87 -11.679 -3.793 4.944 1.00 0.00 C ATOM 117 CG GLU A 87 -13.014 -3.287 5.490 1.00 0.00 C ATOM 118 CD GLU A 87 -12.827 -2.710 6.889 1.00 0.00 C ATOM 119 OE1 GLU A 87 -11.852 -3.066 7.527 1.00 0.00 O ATOM 120 OE2 GLU A 87 -13.663 -1.921 7.301 1.00 0.00 O ATOM 0 H GLU A 87 -11.953 -2.252 3.002 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.778 -1.971 5.577 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -11.839 -4.347 4.019 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -11.222 -4.483 5.653 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -13.421 -2.525 4.826 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -13.736 -4.103 5.519 1.00 0.00 H new ATOM 127 N ALA A 88 -9.085 -3.557 3.219 1.00 0.00 N ATOM 128 CA ALA A 88 -7.761 -4.027 2.826 1.00 0.00 C ATOM 129 C ALA A 88 -6.769 -2.876 2.929 1.00 0.00 C ATOM 130 O ALA A 88 -5.662 -3.023 3.439 1.00 0.00 O ATOM 131 CB ALA A 88 -7.802 -4.546 1.389 1.00 0.00 C ATOM 0 H ALA A 88 -9.791 -3.621 2.486 1.00 0.00 H new ATOM 0 HA ALA A 88 -7.451 -4.836 3.487 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -6.811 -4.896 1.100 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -8.512 -5.370 1.320 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -8.112 -3.743 0.721 1.00 0.00 H new ATOM 137 N PHE A 89 -7.183 -1.720 2.448 1.00 0.00 N ATOM 138 CA PHE A 89 -6.345 -0.537 2.503 1.00 0.00 C ATOM 139 C PHE A 89 -6.019 -0.180 3.951 1.00 0.00 C ATOM 140 O PHE A 89 -4.883 0.162 4.281 1.00 0.00 O ATOM 141 CB PHE A 89 -7.072 0.619 1.840 1.00 0.00 C ATOM 142 CG PHE A 89 -6.300 1.886 2.057 1.00 0.00 C ATOM 143 CD1 PHE A 89 -5.227 2.191 1.224 1.00 0.00 C ATOM 144 CD2 PHE A 89 -6.667 2.756 3.088 1.00 0.00 C ATOM 145 CE1 PHE A 89 -4.512 3.374 1.415 1.00 0.00 C ATOM 146 CE2 PHE A 89 -5.954 3.941 3.284 1.00 0.00 C ATOM 147 CZ PHE A 89 -4.875 4.251 2.444 1.00 0.00 C ATOM 0 H PHE A 89 -8.095 -1.574 2.015 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.411 -0.736 1.978 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -7.185 0.428 0.773 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -8.076 0.717 2.254 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -4.948 1.513 0.431 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -7.500 2.512 3.731 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -3.680 3.613 0.770 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -6.233 4.616 4.080 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.323 5.168 2.591 1.00 0.00 H new ATOM 157 N ARG A 90 -7.034 -0.240 4.799 1.00 0.00 N ATOM 158 CA ARG A 90 -6.874 0.093 6.207 1.00 0.00 C ATOM 159 C ARG A 90 -5.862 -0.848 6.858 1.00 0.00 C ATOM 160 O ARG A 90 -5.096 -0.444 7.734 1.00 0.00 O ATOM 161 CB ARG A 90 -8.223 -0.017 6.915 1.00 0.00 C ATOM 162 CG ARG A 90 -8.160 0.676 8.275 1.00 0.00 C ATOM 163 CD ARG A 90 -9.514 0.531 8.973 1.00 0.00 C ATOM 164 NE ARG A 90 -9.757 -0.872 9.298 1.00 0.00 N ATOM 165 CZ ARG A 90 -9.304 -1.407 10.428 1.00 0.00 C ATOM 166 NH1 ARG A 90 -9.728 -0.958 11.578 1.00 0.00 N ATOM 167 NH2 ARG A 90 -8.436 -2.379 10.385 1.00 0.00 N ATOM 0 H ARG A 90 -7.980 -0.517 4.536 1.00 0.00 H new ATOM 0 HA ARG A 90 -6.505 1.115 6.293 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -9.002 0.437 6.303 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -8.490 -1.066 7.045 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -7.373 0.235 8.886 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -7.913 1.730 8.149 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -9.531 1.132 9.882 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -10.308 0.907 8.328 1.00 0.00 H new ATOM 0 HE ARG A 90 -10.284 -1.453 8.646 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -10.407 -0.197 11.610 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -9.381 -1.368 12.445 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -8.105 -2.728 9.485 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -8.088 -2.790 11.251 1.00 0.00 H new ATOM 181 N VAL A 91 -5.845 -2.096 6.392 1.00 0.00 N ATOM 182 CA VAL A 91 -4.903 -3.087 6.904 1.00 0.00 C ATOM 183 C VAL A 91 -3.478 -2.662 6.561 1.00 0.00 C ATOM 184 O VAL A 91 -2.572 -2.725 7.394 1.00 0.00 O ATOM 185 CB VAL A 91 -5.191 -4.456 6.261 1.00 0.00 C ATOM 186 CG1 VAL A 91 -4.039 -5.432 6.531 1.00 0.00 C ATOM 187 CG2 VAL A 91 -6.498 -5.029 6.819 1.00 0.00 C ATOM 0 H VAL A 91 -6.470 -2.443 5.664 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.014 -3.161 7.986 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.287 -4.320 5.184 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.261 -6.394 6.069 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.117 -5.032 6.110 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.919 -5.565 7.606 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -6.696 -5.998 6.360 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.410 -5.150 7.899 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -7.319 -4.347 6.596 1.00 0.00 H new ATOM 197 N PHE A 92 -3.301 -2.255 5.309 1.00 0.00 N ATOM 198 CA PHE A 92 -2.000 -1.841 4.797 1.00 0.00 C ATOM 199 C PHE A 92 -1.439 -0.624 5.526 1.00 0.00 C ATOM 200 O PHE A 92 -0.235 -0.538 5.772 1.00 0.00 O ATOM 201 CB PHE A 92 -2.131 -1.485 3.303 1.00 0.00 C ATOM 202 CG PHE A 92 -2.086 -2.722 2.432 1.00 0.00 C ATOM 203 CD1 PHE A 92 -0.968 -3.561 2.471 1.00 0.00 C ATOM 204 CD2 PHE A 92 -3.143 -3.010 1.558 1.00 0.00 C ATOM 205 CE1 PHE A 92 -0.913 -4.686 1.648 1.00 0.00 C ATOM 206 CE2 PHE A 92 -3.084 -4.130 0.729 1.00 0.00 C ATOM 207 CZ PHE A 92 -1.970 -4.972 0.776 1.00 0.00 C ATOM 0 H PHE A 92 -4.053 -2.203 4.622 1.00 0.00 H new ATOM 0 HA PHE A 92 -1.317 -2.676 4.954 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -3.068 -0.954 3.135 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -1.326 -0.808 3.017 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -0.148 -3.338 3.138 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.007 -2.362 1.526 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -0.053 -5.338 1.684 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.898 -4.346 0.052 1.00 0.00 H new ATOM 0 HZ PHE A 92 -1.924 -5.843 0.140 1.00 0.00 H new ATOM 217 N ASP A 93 -2.301 0.340 5.805 1.00 0.00 N ATOM 218 CA ASP A 93 -1.863 1.583 6.438 1.00 0.00 C ATOM 219 C ASP A 93 -1.850 1.481 7.959 1.00 0.00 C ATOM 220 O ASP A 93 -2.797 1.895 8.627 1.00 0.00 O ATOM 221 CB ASP A 93 -2.792 2.721 6.001 1.00 0.00 C ATOM 222 CG ASP A 93 -2.126 4.080 6.223 1.00 0.00 C ATOM 223 OD1 ASP A 93 -0.963 4.105 6.603 1.00 0.00 O ATOM 224 OD2 ASP A 93 -2.789 5.080 5.997 1.00 0.00 O ATOM 0 H ASP A 93 -3.300 0.292 5.607 1.00 0.00 H new ATOM 0 HA ASP A 93 -0.840 1.782 6.119 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -3.048 2.604 4.948 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -3.725 2.672 6.563 1.00 0.00 H new ATOM 229 N LYS A 94 -0.757 0.950 8.500 1.00 0.00 N ATOM 230 CA LYS A 94 -0.631 0.825 9.947 1.00 0.00 C ATOM 231 C LYS A 94 -0.745 2.202 10.588 1.00 0.00 C ATOM 232 O LYS A 94 -1.417 2.371 11.605 1.00 0.00 O ATOM 233 CB LYS A 94 0.723 0.221 10.305 1.00 0.00 C ATOM 234 CG LYS A 94 0.751 -1.255 9.909 1.00 0.00 C ATOM 235 CD LYS A 94 2.152 -1.827 10.153 1.00 0.00 C ATOM 236 CE LYS A 94 2.405 -1.999 11.655 1.00 0.00 C ATOM 237 NZ LYS A 94 3.605 -2.856 11.858 1.00 0.00 N ATOM 0 H LYS A 94 0.042 0.605 7.968 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.425 0.176 10.315 1.00 0.00 H new ATOM 0 HB2 LYS A 94 1.519 0.760 9.792 1.00 0.00 H new ATOM 0 HB3 LYS A 94 0.906 0.324 11.375 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.014 -1.811 10.488 1.00 0.00 H new ATOM 0 HG3 LYS A 94 0.480 -1.365 8.859 1.00 0.00 H new ATOM 0 HD2 LYS A 94 2.252 -2.788 9.649 1.00 0.00 H new ATOM 0 HD3 LYS A 94 2.903 -1.163 9.725 1.00 0.00 H new ATOM 0 HE2 LYS A 94 2.555 -1.026 12.124 1.00 0.00 H new ATOM 0 HE3 LYS A 94 1.536 -2.452 12.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 4.049 -2.621 12.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 3.321 -3.856 11.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 4.284 -2.690 11.088 1.00 0.00 H new ATOM 251 N ASP A 95 -0.062 3.175 9.999 1.00 0.00 N ATOM 252 CA ASP A 95 -0.079 4.538 10.513 1.00 0.00 C ATOM 253 C ASP A 95 -1.469 5.146 10.377 1.00 0.00 C ATOM 254 O ASP A 95 -1.940 5.851 11.268 1.00 0.00 O ATOM 255 CB ASP A 95 0.926 5.375 9.741 1.00 0.00 C ATOM 256 CG ASP A 95 0.846 6.832 10.161 1.00 0.00 C ATOM 257 OD1 ASP A 95 0.430 7.086 11.280 1.00 0.00 O ATOM 258 OD2 ASP A 95 1.191 7.675 9.346 1.00 0.00 O ATOM 0 H ASP A 95 0.511 3.046 9.165 1.00 0.00 H new ATOM 0 HA ASP A 95 0.187 4.522 11.570 1.00 0.00 H new ATOM 0 HB2 ASP A 95 1.933 4.996 9.915 1.00 0.00 H new ATOM 0 HB3 ASP A 95 0.734 5.289 8.672 1.00 0.00 H new ATOM 263 N GLN A 96 -2.108 4.863 9.244 1.00 0.00 N ATOM 264 CA GLN A 96 -3.451 5.363 8.961 1.00 0.00 C ATOM 265 C GLN A 96 -3.447 6.869 8.678 1.00 0.00 C ATOM 266 O GLN A 96 -4.246 7.614 9.247 1.00 0.00 O ATOM 267 CB GLN A 96 -4.378 5.067 10.143 1.00 0.00 C ATOM 268 CG GLN A 96 -5.838 5.152 9.699 1.00 0.00 C ATOM 269 CD GLN A 96 -6.734 4.785 10.872 1.00 0.00 C ATOM 270 OE1 GLN A 96 -6.294 4.107 11.798 1.00 0.00 O ATOM 271 NE2 GLN A 96 -7.965 5.206 10.894 1.00 0.00 N ATOM 0 H GLN A 96 -1.713 4.285 8.502 1.00 0.00 H new ATOM 0 HA GLN A 96 -3.813 4.852 8.069 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -4.168 4.074 10.540 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -4.192 5.778 10.948 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -6.068 6.159 9.350 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -6.017 4.477 8.863 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -8.326 5.768 10.123 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -8.569 4.974 11.682 1.00 0.00 H new ATOM 280 N ASN A 97 -2.560 7.323 7.791 1.00 0.00 N ATOM 281 CA ASN A 97 -2.496 8.750 7.441 1.00 0.00 C ATOM 282 C ASN A 97 -3.152 8.982 6.083 1.00 0.00 C ATOM 283 O ASN A 97 -3.134 10.091 5.548 1.00 0.00 O ATOM 284 CB ASN A 97 -1.041 9.215 7.389 1.00 0.00 C ATOM 285 CG ASN A 97 -0.316 8.527 6.240 1.00 0.00 C ATOM 286 OD1 ASN A 97 0.700 9.027 5.758 1.00 0.00 O ATOM 287 ND2 ASN A 97 -0.779 7.403 5.769 1.00 0.00 N ATOM 0 H ASN A 97 -1.883 6.735 7.305 1.00 0.00 H new ATOM 0 HA ASN A 97 -3.027 9.321 8.203 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -1.000 10.297 7.260 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -0.544 8.988 8.332 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -0.299 6.936 5.000 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -1.621 6.990 6.170 1.00 0.00 H new ATOM 294 N GLY A 98 -3.726 7.915 5.538 1.00 0.00 N ATOM 295 CA GLY A 98 -4.391 7.978 4.236 1.00 0.00 C ATOM 296 C GLY A 98 -3.446 7.531 3.127 1.00 0.00 C ATOM 297 O GLY A 98 -3.859 7.338 1.983 1.00 0.00 O ATOM 0 H GLY A 98 -3.746 6.994 5.976 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -5.277 7.343 4.243 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -4.730 8.996 4.044 1.00 0.00 H new ATOM 301 N PHE A 99 -2.167 7.387 3.472 1.00 0.00 N ATOM 302 CA PHE A 99 -1.145 6.972 2.514 1.00 0.00 C ATOM 303 C PHE A 99 -0.369 5.783 3.055 1.00 0.00 C ATOM 304 O PHE A 99 0.157 5.831 4.166 1.00 0.00 O ATOM 305 CB PHE A 99 -0.152 8.111 2.280 1.00 0.00 C ATOM 306 CG PHE A 99 -0.853 9.290 1.654 1.00 0.00 C ATOM 307 CD1 PHE A 99 -1.773 10.030 2.403 1.00 0.00 C ATOM 308 CD2 PHE A 99 -0.595 9.634 0.321 1.00 0.00 C ATOM 309 CE1 PHE A 99 -2.436 11.115 1.822 1.00 0.00 C ATOM 310 CE2 PHE A 99 -1.261 10.719 -0.261 1.00 0.00 C ATOM 311 CZ PHE A 99 -2.183 11.460 0.490 1.00 0.00 C ATOM 0 H PHE A 99 -1.813 7.553 4.414 1.00 0.00 H new ATOM 0 HA PHE A 99 -1.644 6.705 1.583 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.302 8.408 3.225 1.00 0.00 H new ATOM 0 HB3 PHE A 99 0.656 7.772 1.631 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -1.971 9.763 3.431 1.00 0.00 H new ATOM 0 HD2 PHE A 99 0.117 9.063 -0.257 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -3.144 11.688 2.402 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -1.064 10.985 -1.289 1.00 0.00 H new ATOM 0 HZ PHE A 99 -2.698 12.297 0.041 1.00 0.00 H new ATOM 321 N ILE A 100 -0.260 4.738 2.245 1.00 0.00 N ATOM 322 CA ILE A 100 0.505 3.563 2.640 1.00 0.00 C ATOM 323 C ILE A 100 1.965 3.839 2.357 1.00 0.00 C ATOM 324 O ILE A 100 2.328 4.293 1.270 1.00 0.00 O ATOM 325 CB ILE A 100 0.042 2.327 1.866 1.00 0.00 C ATOM 326 CG1 ILE A 100 -1.433 2.061 2.185 1.00 0.00 C ATOM 327 CG2 ILE A 100 0.881 1.120 2.295 1.00 0.00 C ATOM 328 CD1 ILE A 100 -2.025 1.108 1.143 1.00 0.00 C ATOM 0 H ILE A 100 -0.687 4.680 1.320 1.00 0.00 H new ATOM 0 HA ILE A 100 0.354 3.364 3.701 1.00 0.00 H new ATOM 0 HB ILE A 100 0.163 2.493 0.795 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -1.527 1.629 3.181 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -1.988 2.999 2.191 1.00 0.00 H new ATOM 0 HG21 ILE A 100 0.555 0.237 1.746 1.00 0.00 H new ATOM 0 HG22 ILE A 100 1.932 1.313 2.081 1.00 0.00 H new ATOM 0 HG23 ILE A 100 0.754 0.950 3.364 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.074 0.922 1.374 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -1.946 1.557 0.153 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -1.477 0.166 1.159 1.00 0.00 H new ATOM 340 N SER A 101 2.792 3.582 3.351 1.00 0.00 N ATOM 341 CA SER A 101 4.223 3.814 3.231 1.00 0.00 C ATOM 342 C SER A 101 4.935 2.525 2.880 1.00 0.00 C ATOM 343 O SER A 101 4.510 1.442 3.282 1.00 0.00 O ATOM 344 CB SER A 101 4.767 4.358 4.550 1.00 0.00 C ATOM 345 OG SER A 101 3.897 5.373 5.034 1.00 0.00 O ATOM 0 H SER A 101 2.499 3.211 4.255 1.00 0.00 H new ATOM 0 HA SER A 101 4.397 4.541 2.438 1.00 0.00 H new ATOM 0 HB2 SER A 101 4.849 3.554 5.282 1.00 0.00 H new ATOM 0 HB3 SER A 101 5.769 4.761 4.405 1.00 0.00 H new ATOM 0 HG SER A 101 4.242 5.723 5.882 1.00 0.00 H new ATOM 351 N ALA A 102 6.037 2.641 2.150 1.00 0.00 N ATOM 352 CA ALA A 102 6.802 1.464 1.790 1.00 0.00 C ATOM 353 C ALA A 102 7.184 0.746 3.068 1.00 0.00 C ATOM 354 O ALA A 102 7.172 -0.483 3.146 1.00 0.00 O ATOM 355 CB ALA A 102 8.066 1.865 1.030 1.00 0.00 C ATOM 0 H ALA A 102 6.413 3.523 1.803 1.00 0.00 H new ATOM 0 HA ALA A 102 6.207 0.815 1.148 1.00 0.00 H new ATOM 0 HB1 ALA A 102 8.631 0.971 0.766 1.00 0.00 H new ATOM 0 HB2 ALA A 102 7.790 2.401 0.122 1.00 0.00 H new ATOM 0 HB3 ALA A 102 8.680 2.509 1.659 1.00 0.00 H new ATOM 361 N ALA A 103 7.503 1.549 4.077 1.00 0.00 N ATOM 362 CA ALA A 103 7.874 1.035 5.378 1.00 0.00 C ATOM 363 C ALA A 103 6.737 0.204 5.939 1.00 0.00 C ATOM 364 O ALA A 103 6.933 -0.921 6.399 1.00 0.00 O ATOM 365 CB ALA A 103 8.152 2.211 6.315 1.00 0.00 C ATOM 0 H ALA A 103 7.510 2.567 4.011 1.00 0.00 H new ATOM 0 HA ALA A 103 8.764 0.413 5.287 1.00 0.00 H new ATOM 0 HB1 ALA A 103 8.433 1.834 7.299 1.00 0.00 H new ATOM 0 HB2 ALA A 103 8.966 2.813 5.911 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.256 2.825 6.404 1.00 0.00 H new ATOM 371 N GLU A 104 5.539 0.767 5.874 1.00 0.00 N ATOM 372 CA GLU A 104 4.363 0.090 6.353 1.00 0.00 C ATOM 373 C GLU A 104 4.070 -1.116 5.472 1.00 0.00 C ATOM 374 O GLU A 104 3.698 -2.182 5.960 1.00 0.00 O ATOM 375 CB GLU A 104 3.198 1.069 6.316 1.00 0.00 C ATOM 376 CG GLU A 104 3.396 2.138 7.390 1.00 0.00 C ATOM 377 CD GLU A 104 2.430 3.289 7.154 1.00 0.00 C ATOM 378 OE1 GLU A 104 1.545 3.140 6.326 1.00 0.00 O ATOM 379 OE2 GLU A 104 2.595 4.304 7.800 1.00 0.00 O ATOM 0 H GLU A 104 5.365 1.696 5.491 1.00 0.00 H new ATOM 0 HA GLU A 104 4.516 -0.260 7.374 1.00 0.00 H new ATOM 0 HB2 GLU A 104 3.131 1.534 5.333 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.259 0.540 6.483 1.00 0.00 H new ATOM 0 HG2 GLU A 104 3.231 1.709 8.378 1.00 0.00 H new ATOM 0 HG3 GLU A 104 4.423 2.503 7.369 1.00 0.00 H new ATOM 386 N LEU A 105 4.245 -0.931 4.168 1.00 0.00 N ATOM 387 CA LEU A 105 4.012 -1.999 3.207 1.00 0.00 C ATOM 388 C LEU A 105 5.014 -3.130 3.435 1.00 0.00 C ATOM 389 O LEU A 105 4.677 -4.307 3.319 1.00 0.00 O ATOM 390 CB LEU A 105 4.150 -1.449 1.780 1.00 0.00 C ATOM 391 CG LEU A 105 3.649 -2.484 0.753 1.00 0.00 C ATOM 392 CD1 LEU A 105 2.122 -2.408 0.628 1.00 0.00 C ATOM 393 CD2 LEU A 105 4.273 -2.199 -0.618 1.00 0.00 C ATOM 0 H LEU A 105 4.548 -0.050 3.753 1.00 0.00 H new ATOM 0 HA LEU A 105 3.004 -2.391 3.340 1.00 0.00 H new ATOM 0 HB2 LEU A 105 3.579 -0.526 1.683 1.00 0.00 H new ATOM 0 HB3 LEU A 105 5.192 -1.202 1.578 1.00 0.00 H new ATOM 0 HG LEU A 105 3.938 -3.479 1.093 1.00 0.00 H new ATOM 0 HD11 LEU A 105 1.779 -3.143 -0.100 1.00 0.00 H new ATOM 0 HD12 LEU A 105 1.667 -2.617 1.596 1.00 0.00 H new ATOM 0 HD13 LEU A 105 1.833 -1.410 0.299 1.00 0.00 H new ATOM 0 HD21 LEU A 105 3.916 -2.933 -1.340 1.00 0.00 H new ATOM 0 HD22 LEU A 105 3.989 -1.199 -0.946 1.00 0.00 H new ATOM 0 HD23 LEU A 105 5.359 -2.262 -0.544 1.00 0.00 H new ATOM 405 N ARG A 106 6.244 -2.752 3.776 1.00 0.00 N ATOM 406 CA ARG A 106 7.289 -3.734 4.041 1.00 0.00 C ATOM 407 C ARG A 106 6.927 -4.554 5.277 1.00 0.00 C ATOM 408 O ARG A 106 7.071 -5.776 5.292 1.00 0.00 O ATOM 409 CB ARG A 106 8.636 -3.036 4.266 1.00 0.00 C ATOM 410 CG ARG A 106 9.737 -4.084 4.460 1.00 0.00 C ATOM 411 CD ARG A 106 11.082 -3.383 4.658 1.00 0.00 C ATOM 412 NE ARG A 106 12.158 -4.367 4.718 1.00 0.00 N ATOM 413 CZ ARG A 106 13.376 -4.030 5.130 1.00 0.00 C ATOM 414 NH1 ARG A 106 13.527 -3.315 6.212 1.00 0.00 N ATOM 415 NH2 ARG A 106 14.422 -4.418 4.454 1.00 0.00 N ATOM 0 H ARG A 106 6.539 -1.780 3.874 1.00 0.00 H new ATOM 0 HA ARG A 106 7.373 -4.394 3.177 1.00 0.00 H new ATOM 0 HB2 ARG A 106 8.873 -2.399 3.414 1.00 0.00 H new ATOM 0 HB3 ARG A 106 8.579 -2.389 5.141 1.00 0.00 H new ATOM 0 HG2 ARG A 106 9.510 -4.709 5.324 1.00 0.00 H new ATOM 0 HG3 ARG A 106 9.783 -4.743 3.593 1.00 0.00 H new ATOM 0 HD2 ARG A 106 11.261 -2.686 3.839 1.00 0.00 H new ATOM 0 HD3 ARG A 106 11.063 -2.797 5.577 1.00 0.00 H new ATOM 0 HE ARG A 106 11.972 -5.330 4.439 1.00 0.00 H new ATOM 0 HH11 ARG A 106 12.710 -3.014 6.743 1.00 0.00 H new ATOM 0 HH12 ARG A 106 14.462 -3.057 6.527 1.00 0.00 H new ATOM 0 HH21 ARG A 106 14.305 -4.979 3.610 1.00 0.00 H new ATOM 0 HH22 ARG A 106 15.357 -4.160 4.769 1.00 0.00 H new ATOM 429 N HIS A 107 6.452 -3.863 6.308 1.00 0.00 N ATOM 430 CA HIS A 107 6.066 -4.516 7.555 1.00 0.00 C ATOM 431 C HIS A 107 4.847 -5.418 7.356 1.00 0.00 C ATOM 432 O HIS A 107 4.793 -6.529 7.879 1.00 0.00 O ATOM 433 CB HIS A 107 5.758 -3.457 8.614 1.00 0.00 C ATOM 434 CG HIS A 107 5.386 -4.133 9.905 1.00 0.00 C ATOM 435 ND1 HIS A 107 6.195 -4.080 11.030 1.00 0.00 N ATOM 436 CD2 HIS A 107 4.294 -4.884 10.263 1.00 0.00 C ATOM 437 CE1 HIS A 107 5.583 -4.782 12.001 1.00 0.00 C ATOM 438 NE2 HIS A 107 4.421 -5.293 11.586 1.00 0.00 N ATOM 0 H HIS A 107 6.325 -2.851 6.305 1.00 0.00 H new ATOM 0 HA HIS A 107 6.897 -5.139 7.885 1.00 0.00 H new ATOM 0 HB2 HIS A 107 6.626 -2.814 8.764 1.00 0.00 H new ATOM 0 HB3 HIS A 107 4.942 -2.817 8.278 1.00 0.00 H new ATOM 0 HD2 HIS A 107 3.463 -5.121 9.616 1.00 0.00 H new ATOM 0 HE1 HIS A 107 5.983 -4.916 12.995 1.00 0.00 H new ATOM 0 HE2 HIS A 107 3.767 -5.861 12.124 1.00 0.00 H new ATOM 446 N VAL A 108 3.872 -4.930 6.596 1.00 0.00 N ATOM 447 CA VAL A 108 2.656 -5.698 6.336 1.00 0.00 C ATOM 448 C VAL A 108 2.993 -6.983 5.583 1.00 0.00 C ATOM 449 O VAL A 108 2.485 -8.055 5.908 1.00 0.00 O ATOM 450 CB VAL A 108 1.676 -4.835 5.527 1.00 0.00 C ATOM 451 CG1 VAL A 108 0.488 -5.681 5.055 1.00 0.00 C ATOM 452 CG2 VAL A 108 1.163 -3.682 6.407 1.00 0.00 C ATOM 0 H VAL A 108 3.898 -4.012 6.151 1.00 0.00 H new ATOM 0 HA VAL A 108 2.190 -5.974 7.282 1.00 0.00 H new ATOM 0 HB VAL A 108 2.194 -4.434 4.656 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.199 -5.057 4.483 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.848 -6.495 4.426 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.031 -6.093 5.920 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.467 -3.069 5.834 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.653 -4.090 7.280 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.004 -3.070 6.731 1.00 0.00 H new ATOM 462 N MET A 109 3.866 -6.864 4.590 1.00 0.00 N ATOM 463 CA MET A 109 4.294 -8.015 3.801 1.00 0.00 C ATOM 464 C MET A 109 5.175 -8.933 4.649 1.00 0.00 C ATOM 465 O MET A 109 5.226 -10.140 4.432 1.00 0.00 O ATOM 466 CB MET A 109 5.064 -7.541 2.559 1.00 0.00 C ATOM 467 CG MET A 109 4.081 -7.050 1.490 1.00 0.00 C ATOM 468 SD MET A 109 3.142 -8.451 0.828 1.00 0.00 S ATOM 469 CE MET A 109 1.701 -7.511 0.266 1.00 0.00 C ATOM 0 H MET A 109 4.293 -5.981 4.311 1.00 0.00 H new ATOM 0 HA MET A 109 3.414 -8.572 3.479 1.00 0.00 H new ATOM 0 HB2 MET A 109 5.750 -6.739 2.830 1.00 0.00 H new ATOM 0 HB3 MET A 109 5.668 -8.357 2.162 1.00 0.00 H new ATOM 0 HG2 MET A 109 3.400 -6.315 1.919 1.00 0.00 H new ATOM 0 HG3 MET A 109 4.623 -6.552 0.686 1.00 0.00 H new ATOM 0 HE1 MET A 109 0.977 -8.190 -0.185 1.00 0.00 H new ATOM 0 HE2 MET A 109 1.243 -7.005 1.116 1.00 0.00 H new ATOM 0 HE3 MET A 109 2.014 -6.772 -0.471 1.00 0.00 H new ATOM 479 N THR A 110 5.871 -8.339 5.614 1.00 0.00 N ATOM 480 CA THR A 110 6.747 -9.097 6.506 1.00 0.00 C ATOM 481 C THR A 110 5.918 -9.933 7.486 1.00 0.00 C ATOM 482 O THR A 110 6.222 -11.098 7.736 1.00 0.00 O ATOM 483 CB THR A 110 7.656 -8.137 7.277 1.00 0.00 C ATOM 484 OG1 THR A 110 8.479 -7.429 6.358 1.00 0.00 O ATOM 485 CG2 THR A 110 8.539 -8.922 8.248 1.00 0.00 C ATOM 0 H THR A 110 5.846 -7.336 5.799 1.00 0.00 H new ATOM 0 HA THR A 110 7.360 -9.770 5.907 1.00 0.00 H new ATOM 0 HB THR A 110 7.042 -7.434 7.840 1.00 0.00 H new ATOM 0 HG1 THR A 110 8.158 -6.507 6.275 1.00 0.00 H new ATOM 0 HG21 THR A 110 9.183 -8.232 8.793 1.00 0.00 H new ATOM 0 HG22 THR A 110 7.910 -9.466 8.953 1.00 0.00 H new ATOM 0 HG23 THR A 110 9.154 -9.629 7.691 1.00 0.00 H new ATOM 493 N ASN A 111 4.858 -9.324 8.016 1.00 0.00 N ATOM 494 CA ASN A 111 3.961 -10.010 8.947 1.00 0.00 C ATOM 495 C ASN A 111 3.254 -11.144 8.217 1.00 0.00 C ATOM 496 O ASN A 111 3.057 -12.238 8.749 1.00 0.00 O ATOM 497 CB ASN A 111 2.920 -9.019 9.475 1.00 0.00 C ATOM 498 CG ASN A 111 1.944 -9.724 10.411 1.00 0.00 C ATOM 499 OD1 ASN A 111 0.971 -10.327 9.956 1.00 0.00 O ATOM 500 ND2 ASN A 111 2.141 -9.675 11.699 1.00 0.00 N ATOM 0 H ASN A 111 4.599 -8.358 7.817 1.00 0.00 H new ATOM 0 HA ASN A 111 4.536 -10.412 9.781 1.00 0.00 H new ATOM 0 HB2 ASN A 111 3.418 -8.206 10.003 1.00 0.00 H new ATOM 0 HB3 ASN A 111 2.377 -8.573 8.642 1.00 0.00 H new ATOM 0 HD21 ASN A 111 1.489 -10.137 12.333 1.00 0.00 H new ATOM 0 HD22 ASN A 111 2.948 -9.175 12.073 1.00 0.00 H new ATOM 507 N LEU A 112 2.893 -10.836 6.982 1.00 0.00 N ATOM 508 CA LEU A 112 2.212 -11.758 6.083 1.00 0.00 C ATOM 509 C LEU A 112 2.894 -13.124 6.087 1.00 0.00 C ATOM 510 O LEU A 112 2.302 -14.136 5.709 1.00 0.00 O ATOM 511 CB LEU A 112 2.295 -11.134 4.677 1.00 0.00 C ATOM 512 CG LEU A 112 1.251 -11.679 3.686 1.00 0.00 C ATOM 513 CD1 LEU A 112 -0.185 -11.527 4.219 1.00 0.00 C ATOM 514 CD2 LEU A 112 1.386 -10.905 2.362 1.00 0.00 C ATOM 0 H LEU A 112 3.068 -9.921 6.567 1.00 0.00 H new ATOM 0 HA LEU A 112 1.179 -11.911 6.396 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.171 -10.054 4.762 1.00 0.00 H new ATOM 0 HB3 LEU A 112 3.292 -11.309 4.272 1.00 0.00 H new ATOM 0 HG LEU A 112 1.437 -12.743 3.541 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -0.889 -11.925 3.488 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -0.286 -12.076 5.155 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -0.399 -10.472 4.392 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.653 -11.278 1.646 1.00 0.00 H new ATOM 0 HD22 LEU A 112 1.211 -9.844 2.541 1.00 0.00 H new ATOM 0 HD23 LEU A 112 2.389 -11.044 1.960 1.00 0.00 H new ATOM 526 N GLY A 113 4.159 -13.134 6.480 1.00 0.00 N ATOM 527 CA GLY A 113 4.935 -14.364 6.475 1.00 0.00 C ATOM 528 C GLY A 113 5.586 -14.487 5.109 1.00 0.00 C ATOM 529 O GLY A 113 6.076 -15.544 4.716 1.00 0.00 O ATOM 0 H GLY A 113 4.667 -12.311 6.804 1.00 0.00 H new ATOM 0 HA2 GLY A 113 5.691 -14.343 7.260 1.00 0.00 H new ATOM 0 HA3 GLY A 113 4.294 -15.223 6.673 1.00 0.00 H new ATOM 533 N GLU A 114 5.614 -13.346 4.420 1.00 0.00 N ATOM 534 CA GLU A 114 6.233 -13.229 3.105 1.00 0.00 C ATOM 535 C GLU A 114 7.504 -12.400 3.266 1.00 0.00 C ATOM 536 O GLU A 114 7.522 -11.457 4.057 1.00 0.00 O ATOM 537 CB GLU A 114 5.285 -12.531 2.130 1.00 0.00 C ATOM 538 CG GLU A 114 4.034 -13.385 1.932 1.00 0.00 C ATOM 539 CD GLU A 114 4.386 -14.693 1.230 1.00 0.00 C ATOM 540 OE1 GLU A 114 5.437 -14.747 0.614 1.00 0.00 O ATOM 541 OE2 GLU A 114 3.597 -15.621 1.318 1.00 0.00 O ATOM 0 H GLU A 114 5.206 -12.476 4.762 1.00 0.00 H new ATOM 0 HA GLU A 114 6.461 -14.218 2.708 1.00 0.00 H new ATOM 0 HB2 GLU A 114 5.010 -11.549 2.515 1.00 0.00 H new ATOM 0 HB3 GLU A 114 5.783 -12.371 1.174 1.00 0.00 H new ATOM 0 HG2 GLU A 114 3.574 -13.596 2.897 1.00 0.00 H new ATOM 0 HG3 GLU A 114 3.300 -12.835 1.343 1.00 0.00 H new ATOM 548 N LYS A 115 8.569 -12.755 2.546 1.00 0.00 N ATOM 549 CA LYS A 115 9.840 -12.023 2.660 1.00 0.00 C ATOM 550 C LYS A 115 10.236 -11.392 1.334 1.00 0.00 C ATOM 551 O LYS A 115 10.914 -12.009 0.513 1.00 0.00 O ATOM 552 CB LYS A 115 10.948 -12.972 3.133 1.00 0.00 C ATOM 553 CG LYS A 115 10.483 -13.731 4.397 1.00 0.00 C ATOM 554 CD LYS A 115 9.910 -15.093 3.994 1.00 0.00 C ATOM 555 CE LYS A 115 9.350 -15.801 5.223 1.00 0.00 C ATOM 556 NZ LYS A 115 10.467 -16.163 6.140 1.00 0.00 N ATOM 0 H LYS A 115 8.583 -13.532 1.886 1.00 0.00 H new ATOM 0 HA LYS A 115 9.705 -11.225 3.390 1.00 0.00 H new ATOM 0 HB2 LYS A 115 11.195 -13.681 2.342 1.00 0.00 H new ATOM 0 HB3 LYS A 115 11.855 -12.408 3.350 1.00 0.00 H new ATOM 0 HG2 LYS A 115 11.320 -13.865 5.082 1.00 0.00 H new ATOM 0 HG3 LYS A 115 9.728 -13.149 4.926 1.00 0.00 H new ATOM 0 HD2 LYS A 115 9.125 -14.962 3.249 1.00 0.00 H new ATOM 0 HD3 LYS A 115 10.687 -15.703 3.534 1.00 0.00 H new ATOM 0 HE2 LYS A 115 8.639 -15.154 5.736 1.00 0.00 H new ATOM 0 HE3 LYS A 115 8.806 -16.697 4.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 10.127 -16.843 6.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 11.241 -16.591 5.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 10.814 -15.308 6.619 1.00 0.00 H new ATOM 570 N LEU A 116 9.817 -10.144 1.142 1.00 0.00 N ATOM 571 CA LEU A 116 10.136 -9.411 -0.076 1.00 0.00 C ATOM 572 C LEU A 116 11.410 -8.604 0.111 1.00 0.00 C ATOM 573 O LEU A 116 11.722 -8.164 1.217 1.00 0.00 O ATOM 574 CB LEU A 116 9.006 -8.446 -0.428 1.00 0.00 C ATOM 575 CG LEU A 116 7.758 -9.218 -0.858 1.00 0.00 C ATOM 576 CD1 LEU A 116 7.259 -10.104 0.295 1.00 0.00 C ATOM 577 CD2 LEU A 116 6.674 -8.205 -1.247 1.00 0.00 C ATOM 0 H LEU A 116 9.256 -9.621 1.815 1.00 0.00 H new ATOM 0 HA LEU A 116 10.269 -10.137 -0.878 1.00 0.00 H new ATOM 0 HB2 LEU A 116 8.774 -7.818 0.433 1.00 0.00 H new ATOM 0 HB3 LEU A 116 9.324 -7.781 -1.231 1.00 0.00 H new ATOM 0 HG LEU A 116 7.993 -9.861 -1.706 1.00 0.00 H new ATOM 0 HD11 LEU A 116 6.370 -10.649 -0.023 1.00 0.00 H new ATOM 0 HD12 LEU A 116 8.039 -10.813 0.573 1.00 0.00 H new ATOM 0 HD13 LEU A 116 7.014 -9.479 1.154 1.00 0.00 H new ATOM 0 HD21 LEU A 116 5.774 -8.736 -1.557 1.00 0.00 H new ATOM 0 HD22 LEU A 116 6.444 -7.571 -0.391 1.00 0.00 H new ATOM 0 HD23 LEU A 116 7.032 -7.587 -2.070 1.00 0.00 H new ATOM 589 N THR A 117 12.131 -8.399 -0.978 1.00 0.00 N ATOM 590 CA THR A 117 13.361 -7.622 -0.935 1.00 0.00 C ATOM 591 C THR A 117 13.040 -6.149 -1.097 1.00 0.00 C ATOM 592 O THR A 117 11.913 -5.779 -1.425 1.00 0.00 O ATOM 593 CB THR A 117 14.297 -8.065 -2.055 1.00 0.00 C ATOM 594 OG1 THR A 117 15.229 -7.030 -2.332 1.00 0.00 O ATOM 595 CG2 THR A 117 13.484 -8.378 -3.307 1.00 0.00 C ATOM 0 H THR A 117 11.888 -8.758 -1.901 1.00 0.00 H new ATOM 0 HA THR A 117 13.850 -7.784 0.026 1.00 0.00 H new ATOM 0 HB THR A 117 14.836 -8.960 -1.745 1.00 0.00 H new ATOM 0 HG1 THR A 117 15.831 -7.316 -3.050 1.00 0.00 H new ATOM 0 HG21 THR A 117 14.154 -8.694 -4.106 1.00 0.00 H new ATOM 0 HG22 THR A 117 12.775 -9.177 -3.090 1.00 0.00 H new ATOM 0 HG23 THR A 117 12.941 -7.486 -3.620 1.00 0.00 H new ATOM 603 N ASP A 118 14.034 -5.309 -0.869 1.00 0.00 N ATOM 604 CA ASP A 118 13.845 -3.876 -0.999 1.00 0.00 C ATOM 605 C ASP A 118 13.490 -3.525 -2.441 1.00 0.00 C ATOM 606 O ASP A 118 12.690 -2.624 -2.695 1.00 0.00 O ATOM 607 CB ASP A 118 15.131 -3.163 -0.594 1.00 0.00 C ATOM 608 CG ASP A 118 14.955 -1.658 -0.727 1.00 0.00 C ATOM 609 OD1 ASP A 118 13.817 -1.217 -0.762 1.00 0.00 O ATOM 610 OD2 ASP A 118 15.958 -0.968 -0.784 1.00 0.00 O ATOM 0 H ASP A 118 14.975 -5.592 -0.595 1.00 0.00 H new ATOM 0 HA ASP A 118 13.030 -3.557 -0.350 1.00 0.00 H new ATOM 0 HB2 ASP A 118 15.390 -3.418 0.434 1.00 0.00 H new ATOM 0 HB3 ASP A 118 15.956 -3.498 -1.223 1.00 0.00 H new ATOM 615 N GLU A 119 14.116 -4.230 -3.380 1.00 0.00 N ATOM 616 CA GLU A 119 13.898 -3.988 -4.804 1.00 0.00 C ATOM 617 C GLU A 119 12.468 -4.305 -5.239 1.00 0.00 C ATOM 618 O GLU A 119 11.853 -3.525 -5.964 1.00 0.00 O ATOM 619 CB GLU A 119 14.873 -4.846 -5.601 1.00 0.00 C ATOM 620 CG GLU A 119 16.297 -4.340 -5.367 1.00 0.00 C ATOM 621 CD GLU A 119 17.293 -5.228 -6.101 1.00 0.00 C ATOM 622 OE1 GLU A 119 16.859 -6.181 -6.725 1.00 0.00 O ATOM 623 OE2 GLU A 119 18.477 -4.942 -6.027 1.00 0.00 O ATOM 0 H GLU A 119 14.781 -4.977 -3.179 1.00 0.00 H new ATOM 0 HA GLU A 119 14.064 -2.928 -4.993 1.00 0.00 H new ATOM 0 HB2 GLU A 119 14.791 -5.889 -5.296 1.00 0.00 H new ATOM 0 HB3 GLU A 119 14.629 -4.804 -6.663 1.00 0.00 H new ATOM 0 HG2 GLU A 119 16.388 -3.311 -5.716 1.00 0.00 H new ATOM 0 HG3 GLU A 119 16.519 -4.335 -4.300 1.00 0.00 H new ATOM 630 N GLU A 120 11.922 -5.429 -4.782 1.00 0.00 N ATOM 631 CA GLU A 120 10.549 -5.775 -5.133 1.00 0.00 C ATOM 632 C GLU A 120 9.633 -4.749 -4.508 1.00 0.00 C ATOM 633 O GLU A 120 8.707 -4.239 -5.141 1.00 0.00 O ATOM 634 CB GLU A 120 10.180 -7.166 -4.608 1.00 0.00 C ATOM 635 CG GLU A 120 10.842 -8.241 -5.472 1.00 0.00 C ATOM 636 CD GLU A 120 10.153 -8.316 -6.830 1.00 0.00 C ATOM 637 OE1 GLU A 120 9.014 -7.886 -6.918 1.00 0.00 O ATOM 638 OE2 GLU A 120 10.772 -8.803 -7.762 1.00 0.00 O ATOM 0 H GLU A 120 12.397 -6.102 -4.181 1.00 0.00 H new ATOM 0 HA GLU A 120 10.447 -5.784 -6.218 1.00 0.00 H new ATOM 0 HB2 GLU A 120 10.502 -7.270 -3.572 1.00 0.00 H new ATOM 0 HB3 GLU A 120 9.098 -7.293 -4.620 1.00 0.00 H new ATOM 0 HG2 GLU A 120 11.900 -8.013 -5.604 1.00 0.00 H new ATOM 0 HG3 GLU A 120 10.784 -9.208 -4.972 1.00 0.00 H new ATOM 645 N VAL A 121 9.910 -4.458 -3.246 1.00 0.00 N ATOM 646 CA VAL A 121 9.123 -3.492 -2.502 1.00 0.00 C ATOM 647 C VAL A 121 9.191 -2.122 -3.178 1.00 0.00 C ATOM 648 O VAL A 121 8.169 -1.485 -3.413 1.00 0.00 O ATOM 649 CB VAL A 121 9.688 -3.411 -1.080 1.00 0.00 C ATOM 650 CG1 VAL A 121 9.112 -2.206 -0.333 1.00 0.00 C ATOM 651 CG2 VAL A 121 9.339 -4.696 -0.326 1.00 0.00 C ATOM 0 H VAL A 121 10.674 -4.878 -2.717 1.00 0.00 H new ATOM 0 HA VAL A 121 8.078 -3.802 -2.473 1.00 0.00 H new ATOM 0 HB VAL A 121 10.770 -3.294 -1.139 1.00 0.00 H new ATOM 0 HG11 VAL A 121 9.528 -2.169 0.674 1.00 0.00 H new ATOM 0 HG12 VAL A 121 9.370 -1.291 -0.865 1.00 0.00 H new ATOM 0 HG13 VAL A 121 8.028 -2.299 -0.275 1.00 0.00 H new ATOM 0 HG21 VAL A 121 9.739 -4.644 0.687 1.00 0.00 H new ATOM 0 HG22 VAL A 121 8.256 -4.810 -0.283 1.00 0.00 H new ATOM 0 HG23 VAL A 121 9.773 -5.551 -0.844 1.00 0.00 H new ATOM 661 N ASP A 122 10.402 -1.683 -3.492 1.00 0.00 N ATOM 662 CA ASP A 122 10.600 -0.396 -4.144 1.00 0.00 C ATOM 663 C ASP A 122 9.952 -0.375 -5.528 1.00 0.00 C ATOM 664 O ASP A 122 9.272 0.587 -5.886 1.00 0.00 O ATOM 665 CB ASP A 122 12.097 -0.110 -4.271 1.00 0.00 C ATOM 666 CG ASP A 122 12.682 0.239 -2.905 1.00 0.00 C ATOM 667 OD1 ASP A 122 11.908 0.419 -1.978 1.00 0.00 O ATOM 668 OD2 ASP A 122 13.894 0.321 -2.808 1.00 0.00 O ATOM 0 H ASP A 122 11.262 -2.199 -3.306 1.00 0.00 H new ATOM 0 HA ASP A 122 10.128 0.374 -3.534 1.00 0.00 H new ATOM 0 HB2 ASP A 122 12.608 -0.981 -4.682 1.00 0.00 H new ATOM 0 HB3 ASP A 122 12.260 0.713 -4.966 1.00 0.00 H new ATOM 673 N GLU A 123 10.181 -1.430 -6.310 1.00 0.00 N ATOM 674 CA GLU A 123 9.624 -1.507 -7.659 1.00 0.00 C ATOM 675 C GLU A 123 8.105 -1.384 -7.628 1.00 0.00 C ATOM 676 O GLU A 123 7.514 -0.675 -8.441 1.00 0.00 O ATOM 677 CB GLU A 123 10.022 -2.838 -8.309 1.00 0.00 C ATOM 678 CG GLU A 123 11.482 -2.778 -8.760 1.00 0.00 C ATOM 679 CD GLU A 123 11.610 -1.885 -9.989 1.00 0.00 C ATOM 680 OE1 GLU A 123 10.586 -1.491 -10.517 1.00 0.00 O ATOM 681 OE2 GLU A 123 12.732 -1.611 -10.383 1.00 0.00 O ATOM 0 H GLU A 123 10.743 -2.236 -6.035 1.00 0.00 H new ATOM 0 HA GLU A 123 10.025 -0.680 -8.244 1.00 0.00 H new ATOM 0 HB2 GLU A 123 9.884 -3.655 -7.601 1.00 0.00 H new ATOM 0 HB3 GLU A 123 9.376 -3.044 -9.163 1.00 0.00 H new ATOM 0 HG2 GLU A 123 12.105 -2.392 -7.953 1.00 0.00 H new ATOM 0 HG3 GLU A 123 11.842 -3.781 -8.989 1.00 0.00 H new ATOM 688 N MET A 124 7.483 -2.068 -6.677 1.00 0.00 N ATOM 689 CA MET A 124 6.036 -2.019 -6.531 1.00 0.00 C ATOM 690 C MET A 124 5.597 -0.610 -6.151 1.00 0.00 C ATOM 691 O MET A 124 4.609 -0.082 -6.666 1.00 0.00 O ATOM 692 CB MET A 124 5.616 -3.011 -5.448 1.00 0.00 C ATOM 693 CG MET A 124 4.119 -2.883 -5.163 1.00 0.00 C ATOM 694 SD MET A 124 3.516 -4.442 -4.467 1.00 0.00 S ATOM 695 CE MET A 124 1.878 -3.863 -3.959 1.00 0.00 C ATOM 0 H MET A 124 7.957 -2.662 -5.997 1.00 0.00 H new ATOM 0 HA MET A 124 5.561 -2.285 -7.475 1.00 0.00 H new ATOM 0 HB2 MET A 124 5.847 -4.027 -5.767 1.00 0.00 H new ATOM 0 HB3 MET A 124 6.184 -2.826 -4.536 1.00 0.00 H new ATOM 0 HG2 MET A 124 3.937 -2.064 -4.467 1.00 0.00 H new ATOM 0 HG3 MET A 124 3.580 -2.647 -6.080 1.00 0.00 H new ATOM 0 HE1 MET A 124 1.329 -4.684 -3.497 1.00 0.00 H new ATOM 0 HE2 MET A 124 1.986 -3.050 -3.241 1.00 0.00 H new ATOM 0 HE3 MET A 124 1.331 -3.507 -4.832 1.00 0.00 H new ATOM 705 N ILE A 125 6.353 -0.019 -5.243 1.00 0.00 N ATOM 706 CA ILE A 125 6.091 1.335 -4.767 1.00 0.00 C ATOM 707 C ILE A 125 6.343 2.374 -5.867 1.00 0.00 C ATOM 708 O ILE A 125 5.534 3.280 -6.065 1.00 0.00 O ATOM 709 CB ILE A 125 6.970 1.585 -3.529 1.00 0.00 C ATOM 710 CG1 ILE A 125 6.425 0.769 -2.335 1.00 0.00 C ATOM 711 CG2 ILE A 125 7.035 3.069 -3.166 1.00 0.00 C ATOM 712 CD1 ILE A 125 5.010 1.236 -1.933 1.00 0.00 C ATOM 0 H ILE A 125 7.166 -0.460 -4.813 1.00 0.00 H new ATOM 0 HA ILE A 125 5.041 1.436 -4.493 1.00 0.00 H new ATOM 0 HB ILE A 125 7.984 1.263 -3.765 1.00 0.00 H new ATOM 0 HG12 ILE A 125 6.400 -0.289 -2.596 1.00 0.00 H new ATOM 0 HG13 ILE A 125 7.099 0.871 -1.484 1.00 0.00 H new ATOM 0 HG21 ILE A 125 7.665 3.201 -2.287 1.00 0.00 H new ATOM 0 HG22 ILE A 125 7.455 3.630 -4.001 1.00 0.00 H new ATOM 0 HG23 ILE A 125 6.031 3.435 -2.951 1.00 0.00 H new ATOM 0 HD11 ILE A 125 4.656 0.642 -1.091 1.00 0.00 H new ATOM 0 HD12 ILE A 125 5.041 2.287 -1.648 1.00 0.00 H new ATOM 0 HD13 ILE A 125 4.332 1.109 -2.777 1.00 0.00 H new ATOM 724 N ARG A 126 7.446 2.228 -6.593 1.00 0.00 N ATOM 725 CA ARG A 126 7.755 3.157 -7.681 1.00 0.00 C ATOM 726 C ARG A 126 6.768 2.975 -8.828 1.00 0.00 C ATOM 727 O ARG A 126 6.384 3.933 -9.501 1.00 0.00 O ATOM 728 CB ARG A 126 9.179 2.936 -8.191 1.00 0.00 C ATOM 729 CG ARG A 126 10.175 3.414 -7.137 1.00 0.00 C ATOM 730 CD ARG A 126 11.599 3.187 -7.642 1.00 0.00 C ATOM 731 NE ARG A 126 12.564 3.603 -6.628 1.00 0.00 N ATOM 732 CZ ARG A 126 13.050 4.840 -6.604 1.00 0.00 C ATOM 733 NH1 ARG A 126 12.237 5.860 -6.564 1.00 0.00 N ATOM 734 NH2 ARG A 126 14.339 5.031 -6.624 1.00 0.00 N ATOM 0 H ARG A 126 8.134 1.488 -6.454 1.00 0.00 H new ATOM 0 HA ARG A 126 7.673 4.172 -7.294 1.00 0.00 H new ATOM 0 HB2 ARG A 126 9.340 1.880 -8.407 1.00 0.00 H new ATOM 0 HB3 ARG A 126 9.331 3.479 -9.124 1.00 0.00 H new ATOM 0 HG2 ARG A 126 10.017 4.471 -6.925 1.00 0.00 H new ATOM 0 HG3 ARG A 126 10.019 2.875 -6.203 1.00 0.00 H new ATOM 0 HD2 ARG A 126 11.744 2.134 -7.883 1.00 0.00 H new ATOM 0 HD3 ARG A 126 11.761 3.749 -8.562 1.00 0.00 H new ATOM 0 HE ARG A 126 12.871 2.931 -5.924 1.00 0.00 H new ATOM 0 HH11 ARG A 126 11.228 5.708 -6.551 1.00 0.00 H new ATOM 0 HH12 ARG A 126 12.610 6.809 -6.546 1.00 0.00 H new ATOM 0 HH21 ARG A 126 14.972 4.232 -6.658 1.00 0.00 H new ATOM 0 HH22 ARG A 126 14.714 5.979 -6.606 1.00 0.00 H new ATOM 748 N GLU A 127 6.366 1.726 -9.037 1.00 0.00 N ATOM 749 CA GLU A 127 5.422 1.393 -10.095 1.00 0.00 C ATOM 750 C GLU A 127 4.015 1.873 -9.733 1.00 0.00 C ATOM 751 O GLU A 127 3.325 2.477 -10.553 1.00 0.00 O ATOM 752 CB GLU A 127 5.430 -0.124 -10.312 1.00 0.00 C ATOM 753 CG GLU A 127 4.534 -0.494 -11.496 1.00 0.00 C ATOM 754 CD GLU A 127 5.169 -0.009 -12.794 1.00 0.00 C ATOM 755 OE1 GLU A 127 6.305 0.434 -12.748 1.00 0.00 O ATOM 756 OE2 GLU A 127 4.512 -0.093 -13.818 1.00 0.00 O ATOM 0 H GLU A 127 6.680 0.927 -8.486 1.00 0.00 H new ATOM 0 HA GLU A 127 5.720 1.895 -11.016 1.00 0.00 H new ATOM 0 HB2 GLU A 127 6.448 -0.467 -10.496 1.00 0.00 H new ATOM 0 HB3 GLU A 127 5.082 -0.629 -9.411 1.00 0.00 H new ATOM 0 HG2 GLU A 127 4.390 -1.574 -11.532 1.00 0.00 H new ATOM 0 HG3 GLU A 127 3.548 -0.045 -11.372 1.00 0.00 H new ATOM 763 N ALA A 128 3.603 1.594 -8.500 1.00 0.00 N ATOM 764 CA ALA A 128 2.280 2.004 -8.036 1.00 0.00 C ATOM 765 C ALA A 128 2.205 3.523 -7.929 1.00 0.00 C ATOM 766 O ALA A 128 1.124 4.101 -8.007 1.00 0.00 O ATOM 767 CB ALA A 128 1.958 1.376 -6.677 1.00 0.00 C ATOM 0 H ALA A 128 4.159 1.091 -7.809 1.00 0.00 H new ATOM 0 HA ALA A 128 1.546 1.657 -8.763 1.00 0.00 H new ATOM 0 HB1 ALA A 128 0.968 1.697 -6.353 1.00 0.00 H new ATOM 0 HB2 ALA A 128 1.977 0.290 -6.765 1.00 0.00 H new ATOM 0 HB3 ALA A 128 2.700 1.694 -5.944 1.00 0.00 H new ATOM 773 N ASP A 129 3.367 4.165 -7.760 1.00 0.00 N ATOM 774 CA ASP A 129 3.430 5.622 -7.645 1.00 0.00 C ATOM 775 C ASP A 129 3.743 6.257 -8.987 1.00 0.00 C ATOM 776 O ASP A 129 4.755 5.930 -9.633 1.00 0.00 O ATOM 777 CB ASP A 129 4.489 6.037 -6.620 1.00 0.00 C ATOM 778 CG ASP A 129 4.000 5.721 -5.210 1.00 0.00 C ATOM 779 OD1 ASP A 129 2.937 6.204 -4.850 1.00 0.00 O ATOM 780 OD2 ASP A 129 4.698 5.009 -4.507 1.00 0.00 O ATOM 0 H ASP A 129 4.272 3.698 -7.700 1.00 0.00 H new ATOM 0 HA ASP A 129 2.454 5.972 -7.310 1.00 0.00 H new ATOM 0 HB2 ASP A 129 5.423 5.511 -6.816 1.00 0.00 H new ATOM 0 HB3 ASP A 129 4.698 7.103 -6.711 1.00 0.00 H new ATOM 785 N VAL A 130 2.867 7.181 -9.408 1.00 0.00 N ATOM 786 CA VAL A 130 3.031 7.889 -10.673 1.00 0.00 C ATOM 787 C VAL A 130 2.808 9.373 -10.512 1.00 0.00 C ATOM 788 O VAL A 130 3.286 10.169 -11.320 1.00 0.00 O ATOM 789 CB VAL A 130 2.152 7.310 -11.822 1.00 0.00 C ATOM 790 CG1 VAL A 130 2.417 5.822 -11.927 1.00 0.00 C ATOM 791 CG2 VAL A 130 0.599 7.532 -11.762 1.00 0.00 C ATOM 0 H VAL A 130 2.035 7.452 -8.883 1.00 0.00 H new ATOM 0 HA VAL A 130 4.068 7.730 -10.970 1.00 0.00 H new ATOM 0 HB VAL A 130 2.460 7.888 -12.693 1.00 0.00 H new ATOM 0 HG11 VAL A 130 1.809 5.400 -12.727 1.00 0.00 H new ATOM 0 HG12 VAL A 130 3.472 5.655 -12.145 1.00 0.00 H new ATOM 0 HG13 VAL A 130 2.161 5.339 -10.984 1.00 0.00 H new ATOM 0 HG21 VAL A 130 0.132 7.070 -12.632 1.00 0.00 H new ATOM 0 HG22 VAL A 130 0.202 7.080 -10.853 1.00 0.00 H new ATOM 0 HG23 VAL A 130 0.384 8.601 -11.759 1.00 0.00 H new ATOM 801 N ASP A 131 2.124 9.734 -9.441 1.00 0.00 N ATOM 802 CA ASP A 131 1.881 11.133 -9.150 1.00 0.00 C ATOM 803 C ASP A 131 3.154 11.702 -8.565 1.00 0.00 C ATOM 804 O ASP A 131 3.352 12.916 -8.501 1.00 0.00 O ATOM 805 CB ASP A 131 0.751 11.250 -8.129 1.00 0.00 C ATOM 806 CG ASP A 131 -0.415 10.364 -8.548 1.00 0.00 C ATOM 807 OD1 ASP A 131 -1.043 10.676 -9.547 1.00 0.00 O ATOM 808 OD2 ASP A 131 -0.658 9.381 -7.865 1.00 0.00 O ATOM 0 H ASP A 131 1.730 9.082 -8.763 1.00 0.00 H new ATOM 0 HA ASP A 131 1.596 11.674 -10.052 1.00 0.00 H new ATOM 0 HB2 ASP A 131 1.108 10.955 -7.142 1.00 0.00 H new ATOM 0 HB3 ASP A 131 0.423 12.287 -8.053 1.00 0.00 H new ATOM 813 N GLY A 132 4.021 10.783 -8.152 1.00 0.00 N ATOM 814 CA GLY A 132 5.297 11.161 -7.572 1.00 0.00 C ATOM 815 C GLY A 132 5.117 11.659 -6.136 1.00 0.00 C ATOM 816 O GLY A 132 5.231 12.855 -5.862 1.00 0.00 O ATOM 0 H GLY A 132 3.861 9.777 -8.209 1.00 0.00 H new ATOM 0 HA2 GLY A 132 5.974 10.306 -7.583 1.00 0.00 H new ATOM 0 HA3 GLY A 132 5.759 11.941 -8.177 1.00 0.00 H new ATOM 820 N ASP A 133 4.833 10.732 -5.225 1.00 0.00 N ATOM 821 CA ASP A 133 4.629 11.080 -3.811 1.00 0.00 C ATOM 822 C ASP A 133 5.496 10.219 -2.901 1.00 0.00 C ATOM 823 O ASP A 133 5.926 10.664 -1.837 1.00 0.00 O ATOM 824 CB ASP A 133 3.156 10.880 -3.448 1.00 0.00 C ATOM 825 CG ASP A 133 2.275 11.715 -4.371 1.00 0.00 C ATOM 826 OD1 ASP A 133 2.739 12.746 -4.827 1.00 0.00 O ATOM 827 OD2 ASP A 133 1.149 11.309 -4.608 1.00 0.00 O ATOM 0 H ASP A 133 4.738 9.738 -5.433 1.00 0.00 H new ATOM 0 HA ASP A 133 4.914 12.122 -3.669 1.00 0.00 H new ATOM 0 HB2 ASP A 133 2.891 9.826 -3.534 1.00 0.00 H new ATOM 0 HB3 ASP A 133 2.986 11.168 -2.411 1.00 0.00 H new ATOM 832 N GLY A 134 5.750 8.987 -3.328 1.00 0.00 N ATOM 833 CA GLY A 134 6.565 8.058 -2.548 1.00 0.00 C ATOM 834 C GLY A 134 5.686 7.184 -1.660 1.00 0.00 C ATOM 835 O GLY A 134 6.179 6.346 -0.906 1.00 0.00 O ATOM 0 H GLY A 134 5.404 8.607 -4.209 1.00 0.00 H new ATOM 0 HA2 GLY A 134 7.152 7.430 -3.218 1.00 0.00 H new ATOM 0 HA3 GLY A 134 7.272 8.615 -1.933 1.00 0.00 H new ATOM 839 N GLN A 135 4.377 7.379 -1.775 1.00 0.00 N ATOM 840 CA GLN A 135 3.412 6.605 -1.004 1.00 0.00 C ATOM 841 C GLN A 135 2.201 6.312 -1.866 1.00 0.00 C ATOM 842 O GLN A 135 1.937 7.016 -2.843 1.00 0.00 O ATOM 843 CB GLN A 135 2.961 7.376 0.241 1.00 0.00 C ATOM 844 CG GLN A 135 4.154 8.054 0.898 1.00 0.00 C ATOM 845 CD GLN A 135 4.568 9.282 0.100 1.00 0.00 C ATOM 846 OE1 GLN A 135 3.857 9.698 -0.815 1.00 0.00 O ATOM 847 NE2 GLN A 135 5.680 9.896 0.399 1.00 0.00 N ATOM 0 H GLN A 135 3.959 8.070 -2.398 1.00 0.00 H new ATOM 0 HA GLN A 135 3.889 5.677 -0.689 1.00 0.00 H new ATOM 0 HB2 GLN A 135 2.215 8.122 -0.034 1.00 0.00 H new ATOM 0 HB3 GLN A 135 2.486 6.695 0.947 1.00 0.00 H new ATOM 0 HG2 GLN A 135 3.901 8.343 1.918 1.00 0.00 H new ATOM 0 HG3 GLN A 135 4.988 7.355 0.962 1.00 0.00 H new ATOM 0 HE21 GLN A 135 6.266 9.548 1.158 1.00 0.00 H new ATOM 0 HE22 GLN A 135 5.963 10.724 -0.126 1.00 0.00 H new ATOM 856 N ILE A 136 1.461 5.276 -1.503 1.00 0.00 N ATOM 857 CA ILE A 136 0.273 4.911 -2.255 1.00 0.00 C ATOM 858 C ILE A 136 -0.932 5.496 -1.541 1.00 0.00 C ATOM 859 O ILE A 136 -1.296 5.057 -0.449 1.00 0.00 O ATOM 860 CB ILE A 136 0.170 3.368 -2.357 1.00 0.00 C ATOM 861 CG1 ILE A 136 1.050 2.859 -3.501 1.00 0.00 C ATOM 862 CG2 ILE A 136 -1.266 2.925 -2.624 1.00 0.00 C ATOM 863 CD1 ILE A 136 2.500 3.249 -3.237 1.00 0.00 C ATOM 0 H ILE A 136 1.660 4.679 -0.700 1.00 0.00 H new ATOM 0 HA ILE A 136 0.320 5.306 -3.270 1.00 0.00 H new ATOM 0 HB ILE A 136 0.503 2.954 -1.405 1.00 0.00 H new ATOM 0 HG12 ILE A 136 0.963 1.776 -3.587 1.00 0.00 H new ATOM 0 HG13 ILE A 136 0.715 3.282 -4.448 1.00 0.00 H new ATOM 0 HG21 ILE A 136 -1.305 1.838 -2.690 1.00 0.00 H new ATOM 0 HG22 ILE A 136 -1.908 3.262 -1.810 1.00 0.00 H new ATOM 0 HG23 ILE A 136 -1.612 3.358 -3.562 1.00 0.00 H new ATOM 0 HD11 ILE A 136 3.128 2.887 -4.051 1.00 0.00 H new ATOM 0 HD12 ILE A 136 2.579 4.334 -3.173 1.00 0.00 H new ATOM 0 HD13 ILE A 136 2.831 2.805 -2.298 1.00 0.00 H new ATOM 875 N ASN A 137 -1.563 6.473 -2.174 1.00 0.00 N ATOM 876 CA ASN A 137 -2.743 7.080 -1.602 1.00 0.00 C ATOM 877 C ASN A 137 -3.896 6.126 -1.864 1.00 0.00 C ATOM 878 O ASN A 137 -3.775 5.244 -2.713 1.00 0.00 O ATOM 879 CB ASN A 137 -2.999 8.452 -2.236 1.00 0.00 C ATOM 880 CG ASN A 137 -4.201 9.121 -1.578 1.00 0.00 C ATOM 881 OD1 ASN A 137 -5.272 9.206 -2.180 1.00 0.00 O ATOM 882 ND2 ASN A 137 -4.090 9.609 -0.372 1.00 0.00 N ATOM 0 H ASN A 137 -1.277 6.856 -3.075 1.00 0.00 H new ATOM 0 HA ASN A 137 -2.624 7.247 -0.531 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -2.117 9.082 -2.125 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -3.177 8.339 -3.305 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -4.890 10.060 0.071 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -3.203 9.539 0.127 1.00 0.00 H new ATOM 889 N TYR A 138 -4.987 6.254 -1.137 1.00 0.00 N ATOM 890 CA TYR A 138 -6.091 5.329 -1.336 1.00 0.00 C ATOM 891 C TYR A 138 -6.499 5.275 -2.812 1.00 0.00 C ATOM 892 O TYR A 138 -6.675 4.200 -3.372 1.00 0.00 O ATOM 893 CB TYR A 138 -7.288 5.737 -0.485 1.00 0.00 C ATOM 894 CG TYR A 138 -8.426 4.807 -0.804 1.00 0.00 C ATOM 895 CD1 TYR A 138 -8.339 3.465 -0.430 1.00 0.00 C ATOM 896 CD2 TYR A 138 -9.550 5.276 -1.491 1.00 0.00 C ATOM 897 CE1 TYR A 138 -9.376 2.586 -0.742 1.00 0.00 C ATOM 898 CE2 TYR A 138 -10.593 4.397 -1.801 1.00 0.00 C ATOM 899 CZ TYR A 138 -10.506 3.051 -1.427 1.00 0.00 C ATOM 900 OH TYR A 138 -11.532 2.183 -1.733 1.00 0.00 O ATOM 0 H TYR A 138 -5.135 6.966 -0.422 1.00 0.00 H new ATOM 0 HA TYR A 138 -5.757 4.337 -1.030 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -7.038 5.683 0.575 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -7.570 6.769 -0.694 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -7.469 3.107 0.101 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -9.613 6.314 -1.782 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -9.308 1.547 -0.455 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -11.464 4.756 -2.328 1.00 0.00 H new ATOM 0 HH TYR A 138 -12.384 2.666 -1.720 1.00 0.00 H new ATOM 910 N GLU A 139 -6.655 6.431 -3.435 1.00 0.00 N ATOM 911 CA GLU A 139 -7.050 6.473 -4.843 1.00 0.00 C ATOM 912 C GLU A 139 -6.059 5.692 -5.707 1.00 0.00 C ATOM 913 O GLU A 139 -6.454 4.958 -6.613 1.00 0.00 O ATOM 914 CB GLU A 139 -7.117 7.929 -5.313 1.00 0.00 C ATOM 915 CG GLU A 139 -5.709 8.524 -5.319 1.00 0.00 C ATOM 916 CD GLU A 139 -5.775 10.034 -5.501 1.00 0.00 C ATOM 917 OE1 GLU A 139 -6.678 10.493 -6.182 1.00 0.00 O ATOM 918 OE2 GLU A 139 -4.920 10.714 -4.958 1.00 0.00 O ATOM 0 H GLU A 139 -6.518 7.344 -3.001 1.00 0.00 H new ATOM 0 HA GLU A 139 -8.032 6.011 -4.945 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -7.550 7.981 -6.312 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -7.765 8.506 -4.654 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -5.202 8.285 -4.384 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -5.122 8.079 -6.123 1.00 0.00 H new ATOM 925 N GLU A 140 -4.772 5.857 -5.432 1.00 0.00 N ATOM 926 CA GLU A 140 -3.752 5.163 -6.204 1.00 0.00 C ATOM 927 C GLU A 140 -3.844 3.663 -5.959 1.00 0.00 C ATOM 928 O GLU A 140 -3.699 2.859 -6.878 1.00 0.00 O ATOM 929 CB GLU A 140 -2.374 5.676 -5.793 1.00 0.00 C ATOM 930 CG GLU A 140 -1.312 5.157 -6.760 1.00 0.00 C ATOM 931 CD GLU A 140 -0.004 5.897 -6.516 1.00 0.00 C ATOM 932 OE1 GLU A 140 0.686 5.547 -5.573 1.00 0.00 O ATOM 933 OE2 GLU A 140 0.287 6.806 -7.278 1.00 0.00 O ATOM 0 H GLU A 140 -4.413 6.458 -4.690 1.00 0.00 H new ATOM 0 HA GLU A 140 -3.908 5.353 -7.266 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -2.370 6.766 -5.787 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -2.144 5.351 -4.779 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -1.169 4.086 -6.620 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -1.639 5.303 -7.790 1.00 0.00 H new ATOM 940 N PHE A 141 -4.114 3.310 -4.709 1.00 0.00 N ATOM 941 CA PHE A 141 -4.255 1.918 -4.321 1.00 0.00 C ATOM 942 C PHE A 141 -5.363 1.283 -5.142 1.00 0.00 C ATOM 943 O PHE A 141 -5.264 0.163 -5.616 1.00 0.00 O ATOM 944 CB PHE A 141 -4.613 1.822 -2.843 1.00 0.00 C ATOM 945 CG PHE A 141 -4.821 0.375 -2.463 1.00 0.00 C ATOM 946 CD1 PHE A 141 -3.785 -0.556 -2.628 1.00 0.00 C ATOM 947 CD2 PHE A 141 -6.053 -0.039 -1.944 1.00 0.00 C ATOM 948 CE1 PHE A 141 -3.986 -1.894 -2.281 1.00 0.00 C ATOM 949 CE2 PHE A 141 -6.251 -1.373 -1.597 1.00 0.00 C ATOM 950 CZ PHE A 141 -5.220 -2.303 -1.766 1.00 0.00 C ATOM 0 H PHE A 141 -4.240 3.974 -3.945 1.00 0.00 H new ATOM 0 HA PHE A 141 -3.313 1.399 -4.497 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -3.818 2.256 -2.237 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -5.518 2.395 -2.640 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -2.832 -0.238 -3.023 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -6.851 0.677 -1.812 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -3.189 -2.612 -2.410 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -7.203 -1.690 -1.197 1.00 0.00 H new ATOM 0 HZ PHE A 141 -5.377 -3.338 -1.499 1.00 0.00 H new ATOM 960 N VAL A 142 -6.431 2.032 -5.291 1.00 0.00 N ATOM 961 CA VAL A 142 -7.581 1.573 -6.047 1.00 0.00 C ATOM 962 C VAL A 142 -7.162 1.329 -7.488 1.00 0.00 C ATOM 963 O VAL A 142 -7.569 0.349 -8.105 1.00 0.00 O ATOM 964 CB VAL A 142 -8.698 2.637 -5.973 1.00 0.00 C ATOM 965 CG1 VAL A 142 -9.898 2.208 -6.831 1.00 0.00 C ATOM 966 CG2 VAL A 142 -9.153 2.814 -4.507 1.00 0.00 C ATOM 0 H VAL A 142 -6.531 2.968 -4.897 1.00 0.00 H new ATOM 0 HA VAL A 142 -7.962 0.641 -5.629 1.00 0.00 H new ATOM 0 HB VAL A 142 -8.308 3.582 -6.352 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -10.678 2.967 -6.770 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -9.582 2.095 -7.868 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -10.286 1.258 -6.464 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -9.941 3.565 -4.459 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -9.532 1.866 -4.127 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -8.307 3.136 -3.900 1.00 0.00 H new ATOM 976 N LYS A 143 -6.356 2.243 -8.015 1.00 0.00 N ATOM 977 CA LYS A 143 -5.887 2.145 -9.394 1.00 0.00 C ATOM 978 C LYS A 143 -4.990 0.920 -9.618 1.00 0.00 C ATOM 979 O LYS A 143 -5.195 0.155 -10.565 1.00 0.00 O ATOM 980 CB LYS A 143 -5.088 3.414 -9.746 1.00 0.00 C ATOM 981 CG LYS A 143 -5.994 4.666 -9.702 1.00 0.00 C ATOM 982 CD LYS A 143 -6.699 4.878 -11.057 1.00 0.00 C ATOM 983 CE LYS A 143 -5.780 5.642 -12.021 1.00 0.00 C ATOM 984 NZ LYS A 143 -6.505 5.893 -13.299 1.00 0.00 N ATOM 0 H LYS A 143 -6.013 3.060 -7.510 1.00 0.00 H new ATOM 0 HA LYS A 143 -6.764 2.041 -10.033 1.00 0.00 H new ATOM 0 HB2 LYS A 143 -4.261 3.534 -9.046 1.00 0.00 H new ATOM 0 HB3 LYS A 143 -4.652 3.310 -10.740 1.00 0.00 H new ATOM 0 HG2 LYS A 143 -6.738 4.555 -8.913 1.00 0.00 H new ATOM 0 HG3 LYS A 143 -5.397 5.544 -9.456 1.00 0.00 H new ATOM 0 HD2 LYS A 143 -6.970 3.914 -11.489 1.00 0.00 H new ATOM 0 HD3 LYS A 143 -7.625 5.433 -10.910 1.00 0.00 H new ATOM 0 HE2 LYS A 143 -5.470 6.587 -11.574 1.00 0.00 H new ATOM 0 HE3 LYS A 143 -4.874 5.066 -12.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 143 -5.885 6.410 -13.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 143 -6.780 4.986 -13.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 143 -7.357 6.458 -13.109 1.00 0.00 H new ATOM 998 N VAL A 144 -4.002 0.738 -8.747 1.00 0.00 N ATOM 999 CA VAL A 144 -3.073 -0.386 -8.860 1.00 0.00 C ATOM 1000 C VAL A 144 -3.715 -1.704 -8.435 1.00 0.00 C ATOM 1001 O VAL A 144 -3.639 -2.699 -9.156 1.00 0.00 O ATOM 1002 CB VAL A 144 -1.856 -0.112 -7.969 1.00 0.00 C ATOM 1003 CG1 VAL A 144 -2.318 0.071 -6.522 1.00 0.00 C ATOM 1004 CG2 VAL A 144 -0.880 -1.290 -8.048 1.00 0.00 C ATOM 0 H VAL A 144 -3.822 1.354 -7.954 1.00 0.00 H new ATOM 0 HA VAL A 144 -2.781 -0.480 -9.906 1.00 0.00 H new ATOM 0 HB VAL A 144 -1.355 0.793 -8.311 1.00 0.00 H new ATOM 0 HG11 VAL A 144 -1.454 0.266 -5.886 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -3.009 0.912 -6.464 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -2.821 -0.835 -6.183 1.00 0.00 H new ATOM 0 HG21 VAL A 144 -0.017 -1.090 -7.413 1.00 0.00 H new ATOM 0 HG22 VAL A 144 -1.378 -2.198 -7.709 1.00 0.00 H new ATOM 0 HG23 VAL A 144 -0.550 -1.421 -9.079 1.00 0.00 H new ATOM 1014 N MET A 145 -4.322 -1.710 -7.253 1.00 0.00 N ATOM 1015 CA MET A 145 -4.937 -2.925 -6.735 1.00 0.00 C ATOM 1016 C MET A 145 -5.990 -3.445 -7.705 1.00 0.00 C ATOM 1017 O MET A 145 -6.040 -4.638 -8.006 1.00 0.00 O ATOM 1018 CB MET A 145 -5.592 -2.643 -5.365 1.00 0.00 C ATOM 1019 CG MET A 145 -5.552 -3.886 -4.464 1.00 0.00 C ATOM 1020 SD MET A 145 -5.843 -5.389 -5.440 1.00 0.00 S ATOM 1021 CE MET A 145 -4.336 -6.268 -4.971 1.00 0.00 C ATOM 0 H MET A 145 -4.401 -0.897 -6.642 1.00 0.00 H new ATOM 0 HA MET A 145 -4.161 -3.681 -6.617 1.00 0.00 H new ATOM 0 HB2 MET A 145 -5.075 -1.818 -4.875 1.00 0.00 H new ATOM 0 HB3 MET A 145 -6.626 -2.329 -5.511 1.00 0.00 H new ATOM 0 HG2 MET A 145 -4.585 -3.950 -3.966 1.00 0.00 H new ATOM 0 HG3 MET A 145 -6.307 -3.801 -3.683 1.00 0.00 H new ATOM 0 HE1 MET A 145 -4.311 -7.238 -5.468 1.00 0.00 H new ATOM 0 HE2 MET A 145 -3.466 -5.684 -5.270 1.00 0.00 H new ATOM 0 HE3 MET A 145 -4.321 -6.414 -3.891 1.00 0.00 H new ATOM 1031 N MET A 146 -6.833 -2.544 -8.189 1.00 0.00 N ATOM 1032 CA MET A 146 -7.882 -2.929 -9.122 1.00 0.00 C ATOM 1033 C MET A 146 -7.273 -3.400 -10.442 1.00 0.00 C ATOM 1034 O MET A 146 -7.739 -4.372 -11.037 1.00 0.00 O ATOM 1035 CB MET A 146 -8.824 -1.748 -9.376 1.00 0.00 C ATOM 1036 CG MET A 146 -9.994 -2.190 -10.263 1.00 0.00 C ATOM 1037 SD MET A 146 -11.007 -3.401 -9.371 1.00 0.00 S ATOM 1038 CE MET A 146 -12.429 -2.330 -9.056 1.00 0.00 C ATOM 0 H MET A 146 -6.812 -1.552 -7.954 1.00 0.00 H new ATOM 0 HA MET A 146 -8.451 -3.749 -8.684 1.00 0.00 H new ATOM 0 HB2 MET A 146 -9.201 -1.363 -8.429 1.00 0.00 H new ATOM 0 HB3 MET A 146 -8.280 -0.935 -9.857 1.00 0.00 H new ATOM 0 HG2 MET A 146 -10.600 -1.327 -10.540 1.00 0.00 H new ATOM 0 HG3 MET A 146 -9.618 -2.626 -11.188 1.00 0.00 H new ATOM 0 HE1 MET A 146 -13.189 -2.886 -8.506 1.00 0.00 H new ATOM 0 HE2 MET A 146 -12.113 -1.469 -8.467 1.00 0.00 H new ATOM 0 HE3 MET A 146 -12.844 -1.989 -10.004 1.00 0.00 H new ATOM 1048 N ALA A 147 -6.233 -2.700 -10.896 1.00 0.00 N ATOM 1049 CA ALA A 147 -5.565 -3.049 -12.151 1.00 0.00 C ATOM 1050 C ALA A 147 -4.364 -3.954 -11.879 1.00 0.00 C ATOM 1051 O ALA A 147 -4.516 -5.057 -11.354 1.00 0.00 O ATOM 1052 CB ALA A 147 -5.104 -1.777 -12.865 1.00 0.00 C ATOM 0 H ALA A 147 -5.836 -1.892 -10.417 1.00 0.00 H new ATOM 0 HA ALA A 147 -6.271 -3.583 -12.787 1.00 0.00 H new ATOM 0 HB1 ALA A 147 -4.608 -2.043 -13.798 1.00 0.00 H new ATOM 0 HB2 ALA A 147 -5.967 -1.147 -13.080 1.00 0.00 H new ATOM 0 HB3 ALA A 147 -4.408 -1.233 -12.226 1.00 0.00 H new ATOM 1058 N LYS A 148 -3.173 -3.480 -12.231 1.00 0.00 N ATOM 1059 CA LYS A 148 -1.957 -4.253 -12.015 1.00 0.00 C ATOM 1060 C LYS A 148 -1.740 -4.510 -10.528 1.00 0.00 C ATOM 1061 O LYS A 148 -2.699 -4.858 -9.859 1.00 0.00 O ATOM 1062 CB LYS A 148 -0.753 -3.498 -12.584 1.00 0.00 C ATOM 1063 CG LYS A 148 -0.883 -3.408 -14.105 1.00 0.00 C ATOM 1064 CD LYS A 148 0.300 -2.623 -14.676 1.00 0.00 C ATOM 1065 CE LYS A 148 0.127 -2.470 -16.187 1.00 0.00 C ATOM 1066 NZ LYS A 148 0.267 -3.802 -16.841 1.00 0.00 N ATOM 1067 OXT LYS A 148 -0.618 -4.354 -10.077 1.00 0.00 O ATOM 0 H LYS A 148 -3.025 -2.569 -12.665 1.00 0.00 H new ATOM 0 HA LYS A 148 -2.063 -5.211 -12.525 1.00 0.00 H new ATOM 0 HB2 LYS A 148 -0.700 -2.498 -12.153 1.00 0.00 H new ATOM 0 HB3 LYS A 148 0.171 -4.010 -12.317 1.00 0.00 H new ATOM 0 HG2 LYS A 148 -0.911 -4.408 -14.537 1.00 0.00 H new ATOM 0 HG3 LYS A 148 -1.820 -2.919 -14.372 1.00 0.00 H new ATOM 0 HD2 LYS A 148 0.361 -1.642 -14.205 1.00 0.00 H new ATOM 0 HD3 LYS A 148 1.234 -3.141 -14.456 1.00 0.00 H new ATOM 0 HE2 LYS A 148 -0.851 -2.044 -16.410 1.00 0.00 H new ATOM 0 HE3 LYS A 148 0.873 -1.779 -16.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 0.404 -3.674 -17.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 1.088 -4.300 -16.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 -0.593 -4.363 -16.675 1.00 0.00 H new TER 1081 LYS A 148 HETATM 1082 CA CA A 221 1.452 6.221 6.446 1.00 0.00 CA HETATM 1083 CA CA A 234 0.935 8.487 -5.347 1.00 0.00 CA