USER MOD reduce.3.24.130724 H: found=0, std=0, add=426, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 419 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 142 TYR OH : rot -124:sc= 1.19 USER MOD Set 1.2: A 146 HIS : no HE2:sc= -0.63 X(o=1.6,f=1.7) USER MOD Set 1.3: A 172 SER OG : rot 144:sc= 1.04 USER MOD Set 2.1: A 168 CYS SG : rot 180:sc= 0 USER MOD Set 2.2: A 171 CYS SG : rot -40:sc= 0.961 USER MOD Set 2.3: A 175 HIS : no HD1:sc= 1.24 K(o=2.2,f=-11!) USER MOD Set 3.1: A 127 CYS SG : rot 139:sc= -1.02 USER MOD Set 3.2: A 132 CYS SG : rot 180:sc= -0.624 USER MOD Set 3.3: A 149 CYS SG : rot 180:sc= -0.277 USER MOD Set 3.4: A 152 HIS : no HD1:sc= -4.02 X(o=-5.9,f=-6!) USER MOD Single : A 126 CYS SG : rot 180:sc= -0.166 USER MOD Single : A 128 GLN : amide:sc= -4.06 K(o=-4.1,f=-9!) USER MOD Single : A 131 ASN : amide:sc= -0.101 X(o=-0.1,f=0) USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD Single : A 138 LYS NZ :NH3+ -161:sc= -0.0209 (180deg=-0.176) USER MOD Single : A 140 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.116) USER MOD Single : A 143 HIS : no HE2:sc= -2.19 K(o=-2.2,f=-4.7!) USER MOD Single : A 147 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 153 SER OG : rot -114:sc= 1.13 USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 THR OG1 : rot 180:sc= 0 USER MOD Single : A 157 THR OG1 : rot 180:sc= 0 USER MOD Single : A 164 MET CE :methyl 155:sc= 0 (180deg=-0.466) USER MOD Single : A 165 GLN : amide:sc= -1.58 K(o=-1.6,f=-5.3!) USER MOD Single : A 169 GLN : amide:sc= -1.15 X(o=-1.1,f=-1) USER MOD Single : A 170 GLN : amide:sc= -0.274 K(o=-0.27,f=-3.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 124 2.276 15.243 -6.446 1.00 0.00 N ATOM 2 CA ALA A 124 1.488 14.626 -5.348 1.00 0.00 C ATOM 3 C ALA A 124 0.792 13.355 -5.822 1.00 0.00 C ATOM 4 O ALA A 124 0.162 13.339 -6.879 1.00 0.00 O ATOM 5 CB ALA A 124 0.468 15.616 -4.809 1.00 0.00 C ATOM 0 HA ALA A 124 2.176 14.358 -4.546 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -0.102 15.150 -4.005 1.00 0.00 H new ATOM 0 HB2 ALA A 124 0.983 16.497 -4.425 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -0.210 15.912 -5.610 1.00 0.00 H new ATOM 11 N ILE A 125 0.909 12.292 -5.033 1.00 0.00 N ATOM 12 CA ILE A 125 0.289 11.017 -5.371 1.00 0.00 C ATOM 13 C ILE A 125 -0.608 10.524 -4.241 1.00 0.00 C ATOM 14 O ILE A 125 -0.422 10.893 -3.082 1.00 0.00 O ATOM 15 CB ILE A 125 1.349 9.940 -5.677 1.00 0.00 C ATOM 16 CG1 ILE A 125 2.390 10.483 -6.657 1.00 0.00 C ATOM 17 CG2 ILE A 125 0.687 8.690 -6.236 1.00 0.00 C ATOM 18 CD1 ILE A 125 3.474 9.484 -7.001 1.00 0.00 C ATOM 0 H ILE A 125 1.428 12.289 -4.155 1.00 0.00 H new ATOM 0 HA ILE A 125 -0.315 11.186 -6.263 1.00 0.00 H new ATOM 0 HB ILE A 125 1.856 9.675 -4.749 1.00 0.00 H new ATOM 0 HG12 ILE A 125 1.888 10.792 -7.574 1.00 0.00 H new ATOM 0 HG13 ILE A 125 2.850 11.374 -6.229 1.00 0.00 H new ATOM 0 HG21 ILE A 125 1.448 7.939 -6.447 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -0.020 8.295 -5.506 1.00 0.00 H new ATOM 0 HG23 ILE A 125 0.158 8.939 -7.156 1.00 0.00 H new ATOM 0 HD11 ILE A 125 4.177 9.937 -7.700 1.00 0.00 H new ATOM 0 HD12 ILE A 125 4.002 9.193 -6.093 1.00 0.00 H new ATOM 0 HD13 ILE A 125 3.025 8.602 -7.458 1.00 0.00 H new ATOM 30 N CYS A 126 -1.582 9.688 -4.586 1.00 0.00 N ATOM 31 CA CYS A 126 -2.509 9.145 -3.600 1.00 0.00 C ATOM 32 C CYS A 126 -2.343 7.635 -3.467 1.00 0.00 C ATOM 33 O CYS A 126 -1.801 6.978 -4.357 1.00 0.00 O ATOM 34 CB CYS A 126 -3.951 9.480 -3.987 1.00 0.00 C ATOM 35 SG CYS A 126 -5.139 9.297 -2.636 1.00 0.00 S ATOM 0 H CYS A 126 -1.750 9.372 -5.541 1.00 0.00 H new ATOM 0 HA CYS A 126 -2.283 9.602 -2.636 1.00 0.00 H new ATOM 0 HB2 CYS A 126 -3.989 10.506 -4.353 1.00 0.00 H new ATOM 0 HB3 CYS A 126 -4.253 8.836 -4.812 1.00 0.00 H new ATOM 0 HG CYS A 126 -6.329 9.605 -3.060 1.00 0.00 H new ATOM 41 N CYS A 127 -2.815 7.089 -2.351 1.00 0.00 N ATOM 42 CA CYS A 127 -2.720 5.656 -2.099 1.00 0.00 C ATOM 43 C CYS A 127 -3.585 4.872 -3.084 1.00 0.00 C ATOM 44 O CYS A 127 -4.777 5.137 -3.227 1.00 0.00 O ATOM 45 CB CYS A 127 -3.148 5.341 -0.665 1.00 0.00 C ATOM 46 SG CYS A 127 -2.954 3.604 -0.198 1.00 0.00 S ATOM 0 H CYS A 127 -3.268 7.618 -1.606 1.00 0.00 H new ATOM 0 HA CYS A 127 -1.681 5.356 -2.236 1.00 0.00 H new ATOM 0 HB2 CYS A 127 -2.565 5.957 0.020 1.00 0.00 H new ATOM 0 HB3 CYS A 127 -4.193 5.625 -0.539 1.00 0.00 H new ATOM 0 HG CYS A 127 -2.487 3.530 1.013 1.00 0.00 H new ATOM 51 N GLN A 128 -2.972 3.904 -3.760 1.00 0.00 N ATOM 52 CA GLN A 128 -3.684 3.079 -4.729 1.00 0.00 C ATOM 53 C GLN A 128 -4.839 2.335 -4.066 1.00 0.00 C ATOM 54 O GLN A 128 -5.857 2.056 -4.700 1.00 0.00 O ATOM 55 CB GLN A 128 -2.728 2.080 -5.382 1.00 0.00 C ATOM 56 CG GLN A 128 -2.057 1.144 -4.390 1.00 0.00 C ATOM 57 CD GLN A 128 -0.734 0.606 -4.899 1.00 0.00 C ATOM 58 OE1 GLN A 128 0.265 0.602 -4.180 1.00 0.00 O ATOM 59 NE2 GLN A 128 -0.722 0.147 -6.146 1.00 0.00 N ATOM 0 H GLN A 128 -1.984 3.672 -3.654 1.00 0.00 H new ATOM 0 HA GLN A 128 -4.091 3.736 -5.497 1.00 0.00 H new ATOM 0 HB2 GLN A 128 -3.278 1.488 -6.113 1.00 0.00 H new ATOM 0 HB3 GLN A 128 -1.960 2.628 -5.928 1.00 0.00 H new ATOM 0 HG2 GLN A 128 -1.893 1.673 -3.451 1.00 0.00 H new ATOM 0 HG3 GLN A 128 -2.725 0.310 -4.174 1.00 0.00 H new ATOM 0 HE21 GLN A 128 -1.574 0.170 -6.706 1.00 0.00 H new ATOM 0 HE22 GLN A 128 0.139 -0.228 -6.543 1.00 0.00 H new ATOM 68 N VAL A 129 -4.674 2.013 -2.787 1.00 0.00 N ATOM 69 CA VAL A 129 -5.700 1.300 -2.039 1.00 0.00 C ATOM 70 C VAL A 129 -7.009 2.084 -2.013 1.00 0.00 C ATOM 71 O VAL A 129 -7.007 3.315 -2.018 1.00 0.00 O ATOM 72 CB VAL A 129 -5.252 1.024 -0.590 1.00 0.00 C ATOM 73 CG1 VAL A 129 -6.271 0.153 0.129 1.00 0.00 C ATOM 74 CG2 VAL A 129 -3.875 0.377 -0.570 1.00 0.00 C ATOM 0 H VAL A 129 -3.838 2.236 -2.247 1.00 0.00 H new ATOM 0 HA VAL A 129 -5.858 0.350 -2.550 1.00 0.00 H new ATOM 0 HB VAL A 129 -5.188 1.976 -0.062 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -5.937 -0.031 1.150 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -7.235 0.661 0.149 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -6.372 -0.797 -0.396 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -3.576 0.190 0.461 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -3.908 -0.566 -1.115 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -3.153 1.043 -1.042 1.00 0.00 H new ATOM 84 N ASP A 130 -8.123 1.360 -1.982 1.00 0.00 N ATOM 85 CA ASP A 130 -9.441 1.984 -1.951 1.00 0.00 C ATOM 86 C ASP A 130 -9.906 2.200 -0.515 1.00 0.00 C ATOM 87 O ASP A 130 -9.421 1.547 0.409 1.00 0.00 O ATOM 88 CB ASP A 130 -10.454 1.119 -2.704 1.00 0.00 C ATOM 89 CG ASP A 130 -11.492 1.948 -3.434 1.00 0.00 C ATOM 90 OD1 ASP A 130 -11.103 2.918 -4.120 1.00 0.00 O ATOM 91 OD2 ASP A 130 -12.694 1.629 -3.321 1.00 0.00 O ATOM 0 H ASP A 130 -8.139 0.340 -1.978 1.00 0.00 H new ATOM 0 HA ASP A 130 -9.369 2.956 -2.440 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -9.928 0.488 -3.420 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -10.954 0.454 -2.000 1.00 0.00 H new ATOM 96 N ASN A 131 -10.848 3.119 -0.335 1.00 0.00 N ATOM 97 CA ASN A 131 -11.378 3.420 0.989 1.00 0.00 C ATOM 98 C ASN A 131 -10.278 3.923 1.921 1.00 0.00 C ATOM 99 O ASN A 131 -10.380 3.796 3.141 1.00 0.00 O ATOM 100 CB ASN A 131 -12.040 2.179 1.589 1.00 0.00 C ATOM 101 CG ASN A 131 -13.062 1.561 0.656 1.00 0.00 C ATOM 102 OD1 ASN A 131 -13.048 0.353 0.412 1.00 0.00 O ATOM 103 ND2 ASN A 131 -13.956 2.387 0.125 1.00 0.00 N ATOM 0 H ASN A 131 -11.260 3.668 -1.089 1.00 0.00 H new ATOM 0 HA ASN A 131 -12.123 4.208 0.881 1.00 0.00 H new ATOM 0 HB2 ASN A 131 -11.274 1.440 1.825 1.00 0.00 H new ATOM 0 HB3 ASN A 131 -12.524 2.447 2.528 1.00 0.00 H new ATOM 0 HD21 ASN A 131 -14.667 2.028 -0.512 1.00 0.00 H new ATOM 0 HD22 ASN A 131 -13.932 3.381 0.354 1.00 0.00 H new ATOM 110 N CYS A 132 -9.228 4.497 1.338 1.00 0.00 N ATOM 111 CA CYS A 132 -8.114 5.021 2.120 1.00 0.00 C ATOM 112 C CYS A 132 -7.953 6.522 1.898 1.00 0.00 C ATOM 113 O CYS A 132 -8.199 7.323 2.800 1.00 0.00 O ATOM 114 CB CYS A 132 -6.816 4.295 1.754 1.00 0.00 C ATOM 115 SG CYS A 132 -5.388 4.796 2.743 1.00 0.00 S ATOM 0 H CYS A 132 -9.127 4.610 0.329 1.00 0.00 H new ATOM 0 HA CYS A 132 -8.331 4.849 3.174 1.00 0.00 H new ATOM 0 HB2 CYS A 132 -6.967 3.222 1.871 1.00 0.00 H new ATOM 0 HB3 CYS A 132 -6.596 4.474 0.701 1.00 0.00 H new ATOM 0 HG CYS A 132 -4.340 4.127 2.362 1.00 0.00 H new ATOM 120 N GLY A 133 -7.541 6.896 0.691 1.00 0.00 N ATOM 121 CA GLY A 133 -7.358 8.300 0.373 1.00 0.00 C ATOM 122 C GLY A 133 -6.225 8.930 1.160 1.00 0.00 C ATOM 123 O GLY A 133 -6.353 10.048 1.656 1.00 0.00 O ATOM 0 H GLY A 133 -7.331 6.252 -0.072 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -7.158 8.405 -0.693 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -8.283 8.839 0.578 1.00 0.00 H new ATOM 127 N ALA A 134 -5.114 8.210 1.271 1.00 0.00 N ATOM 128 CA ALA A 134 -3.954 8.704 2.002 1.00 0.00 C ATOM 129 C ALA A 134 -3.051 9.537 1.100 1.00 0.00 C ATOM 130 O ALA A 134 -2.649 9.090 0.025 1.00 0.00 O ATOM 131 CB ALA A 134 -3.176 7.543 2.604 1.00 0.00 C ATOM 0 H ALA A 134 -4.993 7.283 0.864 1.00 0.00 H new ATOM 0 HA ALA A 134 -4.310 9.346 2.808 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -2.312 7.927 3.147 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -3.819 6.990 3.289 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -2.839 6.879 1.808 1.00 0.00 H new ATOM 137 N ASP A 135 -2.737 10.750 1.541 1.00 0.00 N ATOM 138 CA ASP A 135 -1.882 11.645 0.772 1.00 0.00 C ATOM 139 C ASP A 135 -0.433 11.168 0.797 1.00 0.00 C ATOM 140 O ASP A 135 0.013 10.552 1.765 1.00 0.00 O ATOM 141 CB ASP A 135 -1.972 13.070 1.323 1.00 0.00 C ATOM 142 CG ASP A 135 -1.970 14.115 0.224 1.00 0.00 C ATOM 143 OD1 ASP A 135 -1.044 14.092 -0.615 1.00 0.00 O ATOM 144 OD2 ASP A 135 -2.894 14.956 0.203 1.00 0.00 O ATOM 0 H ASP A 135 -3.062 11.136 2.427 1.00 0.00 H new ATOM 0 HA ASP A 135 -2.230 11.640 -0.261 1.00 0.00 H new ATOM 0 HB2 ASP A 135 -2.881 13.171 1.915 1.00 0.00 H new ATOM 0 HB3 ASP A 135 -1.133 13.251 1.994 1.00 0.00 H new ATOM 149 N LEU A 136 0.299 11.460 -0.273 1.00 0.00 N ATOM 150 CA LEU A 136 1.698 11.061 -0.376 1.00 0.00 C ATOM 151 C LEU A 136 2.577 12.253 -0.744 1.00 0.00 C ATOM 152 O LEU A 136 3.410 12.169 -1.646 1.00 0.00 O ATOM 153 CB LEU A 136 1.859 9.949 -1.415 1.00 0.00 C ATOM 154 CG LEU A 136 0.949 8.736 -1.214 1.00 0.00 C ATOM 155 CD1 LEU A 136 1.054 7.788 -2.396 1.00 0.00 C ATOM 156 CD2 LEU A 136 1.302 8.018 0.081 1.00 0.00 C ATOM 0 H LEU A 136 -0.054 11.972 -1.082 1.00 0.00 H new ATOM 0 HA LEU A 136 2.016 10.685 0.596 1.00 0.00 H new ATOM 0 HB2 LEU A 136 1.669 10.367 -2.404 1.00 0.00 H new ATOM 0 HB3 LEU A 136 2.895 9.612 -1.406 1.00 0.00 H new ATOM 0 HG LEU A 136 -0.082 9.084 -1.146 1.00 0.00 H new ATOM 0 HD11 LEU A 136 0.400 6.931 -2.235 1.00 0.00 H new ATOM 0 HD12 LEU A 136 0.754 8.307 -3.306 1.00 0.00 H new ATOM 0 HD13 LEU A 136 2.083 7.444 -2.496 1.00 0.00 H new ATOM 0 HD21 LEU A 136 0.646 7.157 0.210 1.00 0.00 H new ATOM 0 HD22 LEU A 136 2.338 7.682 0.040 1.00 0.00 H new ATOM 0 HD23 LEU A 136 1.175 8.700 0.922 1.00 0.00 H new ATOM 168 N SER A 137 2.386 13.362 -0.039 1.00 0.00 N ATOM 169 CA SER A 137 3.162 14.571 -0.290 1.00 0.00 C ATOM 170 C SER A 137 4.238 14.759 0.775 1.00 0.00 C ATOM 171 O SER A 137 5.305 15.309 0.503 1.00 0.00 O ATOM 172 CB SER A 137 2.242 15.794 -0.324 1.00 0.00 C ATOM 173 OG SER A 137 1.787 16.054 -1.640 1.00 0.00 O ATOM 0 H SER A 137 1.700 13.449 0.711 1.00 0.00 H new ATOM 0 HA SER A 137 3.651 14.465 -1.259 1.00 0.00 H new ATOM 0 HB2 SER A 137 1.388 15.629 0.333 1.00 0.00 H new ATOM 0 HB3 SER A 137 2.775 16.665 0.058 1.00 0.00 H new ATOM 0 HG SER A 137 1.200 16.839 -1.634 1.00 0.00 H new ATOM 179 N LYS A 138 3.951 14.296 1.987 1.00 0.00 N ATOM 180 CA LYS A 138 4.893 14.412 3.094 1.00 0.00 C ATOM 181 C LYS A 138 5.828 13.206 3.149 1.00 0.00 C ATOM 182 O LYS A 138 6.919 13.280 3.714 1.00 0.00 O ATOM 183 CB LYS A 138 4.142 14.549 4.419 1.00 0.00 C ATOM 184 CG LYS A 138 4.803 15.509 5.395 1.00 0.00 C ATOM 185 CD LYS A 138 4.657 15.032 6.831 1.00 0.00 C ATOM 186 CE LYS A 138 5.829 15.479 7.689 1.00 0.00 C ATOM 187 NZ LYS A 138 7.079 14.743 7.350 1.00 0.00 N ATOM 0 H LYS A 138 3.073 13.837 2.228 1.00 0.00 H new ATOM 0 HA LYS A 138 5.495 15.306 2.930 1.00 0.00 H new ATOM 0 HB2 LYS A 138 3.126 14.890 4.218 1.00 0.00 H new ATOM 0 HB3 LYS A 138 4.062 13.567 4.885 1.00 0.00 H new ATOM 0 HG2 LYS A 138 5.860 15.609 5.149 1.00 0.00 H new ATOM 0 HG3 LYS A 138 4.357 16.498 5.292 1.00 0.00 H new ATOM 0 HD2 LYS A 138 3.729 15.419 7.251 1.00 0.00 H new ATOM 0 HD3 LYS A 138 4.586 13.944 6.849 1.00 0.00 H new ATOM 0 HE2 LYS A 138 5.990 16.549 7.555 1.00 0.00 H new ATOM 0 HE3 LYS A 138 5.589 15.322 8.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 7.755 14.826 8.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 6.858 13.740 7.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 7.498 15.149 6.489 1.00 0.00 H new ATOM 201 N VAL A 139 5.393 12.093 2.560 1.00 0.00 N ATOM 202 CA VAL A 139 6.194 10.872 2.545 1.00 0.00 C ATOM 203 C VAL A 139 7.593 11.132 1.998 1.00 0.00 C ATOM 204 O VAL A 139 7.865 12.194 1.438 1.00 0.00 O ATOM 205 CB VAL A 139 5.523 9.772 1.702 1.00 0.00 C ATOM 206 CG1 VAL A 139 4.218 9.326 2.343 1.00 0.00 C ATOM 207 CG2 VAL A 139 5.289 10.259 0.280 1.00 0.00 C ATOM 0 H VAL A 139 4.492 12.012 2.088 1.00 0.00 H new ATOM 0 HA VAL A 139 6.271 10.535 3.579 1.00 0.00 H new ATOM 0 HB VAL A 139 6.191 8.912 1.662 1.00 0.00 H new ATOM 0 HG11 VAL A 139 3.760 8.548 1.732 1.00 0.00 H new ATOM 0 HG12 VAL A 139 4.418 8.933 3.340 1.00 0.00 H new ATOM 0 HG13 VAL A 139 3.540 10.176 2.417 1.00 0.00 H new ATOM 0 HG21 VAL A 139 4.814 9.469 -0.302 1.00 0.00 H new ATOM 0 HG22 VAL A 139 4.642 11.136 0.298 1.00 0.00 H new ATOM 0 HG23 VAL A 139 6.243 10.522 -0.176 1.00 0.00 H new ATOM 217 N LYS A 140 8.478 10.155 2.165 1.00 0.00 N ATOM 218 CA LYS A 140 9.852 10.276 1.689 1.00 0.00 C ATOM 219 C LYS A 140 9.919 10.105 0.175 1.00 0.00 C ATOM 220 O LYS A 140 10.035 11.080 -0.567 1.00 0.00 O ATOM 221 CB LYS A 140 10.744 9.241 2.379 1.00 0.00 C ATOM 222 CG LYS A 140 11.723 9.847 3.372 1.00 0.00 C ATOM 223 CD LYS A 140 12.482 8.773 4.132 1.00 0.00 C ATOM 224 CE LYS A 140 13.754 9.323 4.754 1.00 0.00 C ATOM 225 NZ LYS A 140 13.493 10.543 5.565 1.00 0.00 N ATOM 0 H LYS A 140 8.269 9.270 2.627 1.00 0.00 H new ATOM 0 HA LYS A 140 10.213 11.274 1.936 1.00 0.00 H new ATOM 0 HB2 LYS A 140 10.114 8.519 2.898 1.00 0.00 H new ATOM 0 HB3 LYS A 140 11.302 8.691 1.621 1.00 0.00 H new ATOM 0 HG2 LYS A 140 12.429 10.488 2.844 1.00 0.00 H new ATOM 0 HG3 LYS A 140 11.183 10.480 4.076 1.00 0.00 H new ATOM 0 HD2 LYS A 140 11.844 8.359 4.913 1.00 0.00 H new ATOM 0 HD3 LYS A 140 12.731 7.955 3.456 1.00 0.00 H new ATOM 0 HE2 LYS A 140 14.210 8.559 5.384 1.00 0.00 H new ATOM 0 HE3 LYS A 140 14.471 9.557 3.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 14.341 10.779 6.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 13.260 11.336 4.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 12.696 10.367 6.210 1.00 0.00 H new ATOM 239 N ASP A 141 9.851 8.858 -0.274 1.00 0.00 N ATOM 240 CA ASP A 141 9.906 8.552 -1.698 1.00 0.00 C ATOM 241 C ASP A 141 9.507 7.104 -1.964 1.00 0.00 C ATOM 242 O ASP A 141 8.776 6.814 -2.911 1.00 0.00 O ATOM 243 CB ASP A 141 11.311 8.814 -2.243 1.00 0.00 C ATOM 244 CG ASP A 141 12.382 8.093 -1.449 1.00 0.00 C ATOM 245 OD1 ASP A 141 12.563 8.425 -0.259 1.00 0.00 O ATOM 246 OD2 ASP A 141 13.041 7.198 -2.018 1.00 0.00 O ATOM 0 H ASP A 141 9.757 8.041 0.329 1.00 0.00 H new ATOM 0 HA ASP A 141 9.197 9.203 -2.209 1.00 0.00 H new ATOM 0 HB2 ASP A 141 11.359 8.496 -3.285 1.00 0.00 H new ATOM 0 HB3 ASP A 141 11.510 9.886 -2.227 1.00 0.00 H new ATOM 251 N TYR A 142 9.993 6.198 -1.120 1.00 0.00 N ATOM 252 CA TYR A 142 9.688 4.777 -1.265 1.00 0.00 C ATOM 253 C TYR A 142 8.181 4.540 -1.273 1.00 0.00 C ATOM 254 O TYR A 142 7.688 3.637 -1.950 1.00 0.00 O ATOM 255 CB TYR A 142 10.335 3.978 -0.132 1.00 0.00 C ATOM 256 CG TYR A 142 10.561 2.522 -0.470 1.00 0.00 C ATOM 257 CD1 TYR A 142 11.695 2.119 -1.163 1.00 0.00 C ATOM 258 CD2 TYR A 142 9.641 1.551 -0.095 1.00 0.00 C ATOM 259 CE1 TYR A 142 11.906 0.789 -1.473 1.00 0.00 C ATOM 260 CE2 TYR A 142 9.845 0.219 -0.402 1.00 0.00 C ATOM 261 CZ TYR A 142 10.979 -0.157 -1.090 1.00 0.00 C ATOM 262 OH TYR A 142 11.185 -1.482 -1.397 1.00 0.00 O ATOM 0 H TYR A 142 10.598 6.421 -0.330 1.00 0.00 H new ATOM 0 HA TYR A 142 10.095 4.440 -2.218 1.00 0.00 H new ATOM 0 HB2 TYR A 142 11.291 4.435 0.124 1.00 0.00 H new ATOM 0 HB3 TYR A 142 9.703 4.043 0.754 1.00 0.00 H new ATOM 0 HD1 TYR A 142 12.424 2.857 -1.464 1.00 0.00 H new ATOM 0 HD2 TYR A 142 8.752 1.842 0.445 1.00 0.00 H new ATOM 0 HE1 TYR A 142 12.793 0.492 -2.013 1.00 0.00 H new ATOM 0 HE2 TYR A 142 9.120 -0.524 -0.104 1.00 0.00 H new ATOM 0 HH TYR A 142 10.419 -1.823 -1.903 1.00 0.00 H new ATOM 272 N HIS A 143 7.454 5.356 -0.518 1.00 0.00 N ATOM 273 CA HIS A 143 6.002 5.235 -0.440 1.00 0.00 C ATOM 274 C HIS A 143 5.323 6.261 -1.341 1.00 0.00 C ATOM 275 O HIS A 143 4.254 6.776 -1.016 1.00 0.00 O ATOM 276 CB HIS A 143 5.531 5.414 1.005 1.00 0.00 C ATOM 277 CG HIS A 143 5.913 4.281 1.903 1.00 0.00 C ATOM 278 ND1 HIS A 143 6.417 4.463 3.174 1.00 0.00 N ATOM 279 CD2 HIS A 143 5.860 2.939 1.711 1.00 0.00 C ATOM 280 CE1 HIS A 143 6.660 3.285 3.724 1.00 0.00 C ATOM 281 NE2 HIS A 143 6.329 2.345 2.857 1.00 0.00 N ATOM 0 H HIS A 143 7.846 6.108 0.049 1.00 0.00 H new ATOM 0 HA HIS A 143 5.725 4.238 -0.783 1.00 0.00 H new ATOM 0 HB2 HIS A 143 5.949 6.339 1.403 1.00 0.00 H new ATOM 0 HB3 HIS A 143 4.447 5.524 1.014 1.00 0.00 H new ATOM 0 HD1 HIS A 143 6.577 5.366 3.620 1.00 0.00 H new ATOM 0 HD2 HIS A 143 5.514 2.432 0.822 1.00 0.00 H new ATOM 0 HE1 HIS A 143 7.061 3.120 4.713 1.00 0.00 H new ATOM 289 N ARG A 144 5.951 6.553 -2.474 1.00 0.00 N ATOM 290 CA ARG A 144 5.409 7.518 -3.424 1.00 0.00 C ATOM 291 C ARG A 144 5.261 6.895 -4.808 1.00 0.00 C ATOM 292 O ARG A 144 4.152 6.772 -5.329 1.00 0.00 O ATOM 293 CB ARG A 144 6.311 8.752 -3.502 1.00 0.00 C ATOM 294 CG ARG A 144 5.722 9.888 -4.322 1.00 0.00 C ATOM 295 CD ARG A 144 5.180 10.996 -3.434 1.00 0.00 C ATOM 296 NE ARG A 144 6.249 11.800 -2.847 1.00 0.00 N ATOM 297 CZ ARG A 144 7.013 12.639 -3.545 1.00 0.00 C ATOM 298 NH1 ARG A 144 6.829 12.785 -4.850 1.00 0.00 N ATOM 299 NH2 ARG A 144 7.964 13.332 -2.933 1.00 0.00 N ATOM 0 H ARG A 144 6.837 6.135 -2.758 1.00 0.00 H new ATOM 0 HA ARG A 144 4.422 7.819 -3.073 1.00 0.00 H new ATOM 0 HB2 ARG A 144 6.510 9.110 -2.492 1.00 0.00 H new ATOM 0 HB3 ARG A 144 7.270 8.464 -3.933 1.00 0.00 H new ATOM 0 HG2 ARG A 144 6.486 10.293 -4.985 1.00 0.00 H new ATOM 0 HG3 ARG A 144 4.922 9.504 -4.955 1.00 0.00 H new ATOM 0 HD2 ARG A 144 4.522 11.639 -4.018 1.00 0.00 H new ATOM 0 HD3 ARG A 144 4.576 10.560 -2.638 1.00 0.00 H new ATOM 0 HE ARG A 144 6.420 11.714 -1.845 1.00 0.00 H new ATOM 0 HH11 ARG A 144 6.099 12.253 -5.325 1.00 0.00 H new ATOM 0 HH12 ARG A 144 7.417 13.429 -5.379 1.00 0.00 H new ATOM 0 HH21 ARG A 144 8.110 13.222 -1.929 1.00 0.00 H new ATOM 0 HH22 ARG A 144 8.550 13.975 -3.466 1.00 0.00 H new ATOM 313 N ARG A 145 6.385 6.503 -5.397 1.00 0.00 N ATOM 314 CA ARG A 145 6.382 5.890 -6.721 1.00 0.00 C ATOM 315 C ARG A 145 5.545 4.616 -6.728 1.00 0.00 C ATOM 316 O ARG A 145 4.921 4.274 -7.732 1.00 0.00 O ATOM 317 CB ARG A 145 7.815 5.582 -7.166 1.00 0.00 C ATOM 318 CG ARG A 145 8.301 6.464 -8.304 1.00 0.00 C ATOM 319 CD ARG A 145 8.854 7.783 -7.791 1.00 0.00 C ATOM 320 NE ARG A 145 8.560 8.891 -8.697 1.00 0.00 N ATOM 321 CZ ARG A 145 8.985 10.138 -8.508 1.00 0.00 C ATOM 322 NH1 ARG A 145 9.723 10.440 -7.447 1.00 0.00 N ATOM 323 NH2 ARG A 145 8.672 11.083 -9.383 1.00 0.00 N ATOM 0 H ARG A 145 7.310 6.599 -4.979 1.00 0.00 H new ATOM 0 HA ARG A 145 5.937 6.596 -7.422 1.00 0.00 H new ATOM 0 HB2 ARG A 145 8.485 5.700 -6.314 1.00 0.00 H new ATOM 0 HB3 ARG A 145 7.874 4.538 -7.475 1.00 0.00 H new ATOM 0 HG2 ARG A 145 9.073 5.940 -8.868 1.00 0.00 H new ATOM 0 HG3 ARG A 145 7.479 6.657 -8.993 1.00 0.00 H new ATOM 0 HD2 ARG A 145 8.431 7.996 -6.809 1.00 0.00 H new ATOM 0 HD3 ARG A 145 9.933 7.698 -7.661 1.00 0.00 H new ATOM 0 HE ARG A 145 7.995 8.697 -9.524 1.00 0.00 H new ATOM 0 HH11 ARG A 145 9.967 9.715 -6.772 1.00 0.00 H new ATOM 0 HH12 ARG A 145 10.046 11.397 -7.306 1.00 0.00 H new ATOM 0 HH21 ARG A 145 8.106 10.854 -10.200 1.00 0.00 H new ATOM 0 HH22 ARG A 145 8.997 12.039 -9.239 1.00 0.00 H new ATOM 337 N HIS A 146 5.535 3.915 -5.598 1.00 0.00 N ATOM 338 CA HIS A 146 4.775 2.676 -5.471 1.00 0.00 C ATOM 339 C HIS A 146 3.279 2.954 -5.329 1.00 0.00 C ATOM 340 O HIS A 146 2.457 2.046 -5.453 1.00 0.00 O ATOM 341 CB HIS A 146 5.270 1.872 -4.268 1.00 0.00 C ATOM 342 CG HIS A 146 6.730 1.544 -4.327 1.00 0.00 C ATOM 343 ND1 HIS A 146 7.339 0.662 -3.459 1.00 0.00 N ATOM 344 CD2 HIS A 146 7.704 1.984 -5.159 1.00 0.00 C ATOM 345 CE1 HIS A 146 8.625 0.575 -3.753 1.00 0.00 C ATOM 346 NE2 HIS A 146 8.871 1.366 -4.782 1.00 0.00 N ATOM 0 H HIS A 146 6.045 4.184 -4.757 1.00 0.00 H new ATOM 0 HA HIS A 146 4.929 2.096 -6.381 1.00 0.00 H new ATOM 0 HB2 HIS A 146 5.069 2.436 -3.357 1.00 0.00 H new ATOM 0 HB3 HIS A 146 4.700 0.945 -4.201 1.00 0.00 H new ATOM 0 HD1 HIS A 146 6.870 0.156 -2.708 1.00 0.00 H new ATOM 0 HD2 HIS A 146 7.585 2.689 -5.968 1.00 0.00 H new ATOM 0 HE1 HIS A 146 9.351 -0.038 -3.239 1.00 0.00 H new ATOM 354 N LYS A 147 2.929 4.213 -5.068 1.00 0.00 N ATOM 355 CA LYS A 147 1.532 4.599 -4.910 1.00 0.00 C ATOM 356 C LYS A 147 0.894 3.865 -3.733 1.00 0.00 C ATOM 357 O LYS A 147 -0.028 3.067 -3.910 1.00 0.00 O ATOM 358 CB LYS A 147 0.751 4.312 -6.194 1.00 0.00 C ATOM 359 CG LYS A 147 0.952 5.360 -7.276 1.00 0.00 C ATOM 360 CD LYS A 147 0.273 4.959 -8.577 1.00 0.00 C ATOM 361 CE LYS A 147 1.169 5.210 -9.778 1.00 0.00 C ATOM 362 NZ LYS A 147 0.468 5.979 -10.845 1.00 0.00 N ATOM 0 H LYS A 147 3.594 4.980 -4.962 1.00 0.00 H new ATOM 0 HA LYS A 147 1.498 5.669 -4.707 1.00 0.00 H new ATOM 0 HB2 LYS A 147 1.052 3.339 -6.582 1.00 0.00 H new ATOM 0 HB3 LYS A 147 -0.311 4.246 -5.956 1.00 0.00 H new ATOM 0 HG2 LYS A 147 0.553 6.316 -6.936 1.00 0.00 H new ATOM 0 HG3 LYS A 147 2.018 5.504 -7.451 1.00 0.00 H new ATOM 0 HD2 LYS A 147 0.005 3.903 -8.537 1.00 0.00 H new ATOM 0 HD3 LYS A 147 -0.655 5.520 -8.691 1.00 0.00 H new ATOM 0 HE2 LYS A 147 2.057 5.757 -9.460 1.00 0.00 H new ATOM 0 HE3 LYS A 147 1.510 4.257 -10.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 147 1.114 6.129 -11.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 147 -0.365 5.446 -11.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 147 0.165 6.900 -10.468 1.00 0.00 H new ATOM 376 N VAL A 148 1.391 4.142 -2.533 1.00 0.00 N ATOM 377 CA VAL A 148 0.872 3.508 -1.326 1.00 0.00 C ATOM 378 C VAL A 148 1.337 4.249 -0.076 1.00 0.00 C ATOM 379 O VAL A 148 2.514 4.586 0.056 1.00 0.00 O ATOM 380 CB VAL A 148 1.306 2.031 -1.235 1.00 0.00 C ATOM 381 CG1 VAL A 148 2.822 1.920 -1.160 1.00 0.00 C ATOM 382 CG2 VAL A 148 0.654 1.353 -0.039 1.00 0.00 C ATOM 0 H VAL A 148 2.152 4.801 -2.370 1.00 0.00 H new ATOM 0 HA VAL A 148 -0.216 3.551 -1.385 1.00 0.00 H new ATOM 0 HB VAL A 148 0.973 1.520 -2.138 1.00 0.00 H new ATOM 0 HG11 VAL A 148 3.107 0.870 -1.096 1.00 0.00 H new ATOM 0 HG12 VAL A 148 3.264 2.363 -2.053 1.00 0.00 H new ATOM 0 HG13 VAL A 148 3.182 2.448 -0.277 1.00 0.00 H new ATOM 0 HG21 VAL A 148 0.973 0.312 0.007 1.00 0.00 H new ATOM 0 HG22 VAL A 148 0.951 1.865 0.876 1.00 0.00 H new ATOM 0 HG23 VAL A 148 -0.430 1.396 -0.143 1.00 0.00 H new ATOM 392 N CYS A 149 0.407 4.497 0.840 1.00 0.00 N ATOM 393 CA CYS A 149 0.722 5.198 2.078 1.00 0.00 C ATOM 394 C CYS A 149 1.628 4.348 2.967 1.00 0.00 C ATOM 395 O CYS A 149 2.181 3.343 2.521 1.00 0.00 O ATOM 396 CB CYS A 149 -0.565 5.564 2.824 1.00 0.00 C ATOM 397 SG CYS A 149 -1.446 4.151 3.532 1.00 0.00 S ATOM 0 H CYS A 149 -0.571 4.223 0.748 1.00 0.00 H new ATOM 0 HA CYS A 149 1.254 6.115 1.826 1.00 0.00 H new ATOM 0 HB2 CYS A 149 -0.321 6.262 3.624 1.00 0.00 H new ATOM 0 HB3 CYS A 149 -1.232 6.086 2.138 1.00 0.00 H new ATOM 0 HG CYS A 149 -2.516 4.568 4.141 1.00 0.00 H new ATOM 402 N GLU A 150 1.779 4.759 4.223 1.00 0.00 N ATOM 403 CA GLU A 150 2.622 4.034 5.168 1.00 0.00 C ATOM 404 C GLU A 150 1.834 2.942 5.887 1.00 0.00 C ATOM 405 O GLU A 150 2.397 1.932 6.306 1.00 0.00 O ATOM 406 CB GLU A 150 3.223 5.001 6.190 1.00 0.00 C ATOM 407 CG GLU A 150 4.554 5.593 5.757 1.00 0.00 C ATOM 408 CD GLU A 150 4.443 7.056 5.368 1.00 0.00 C ATOM 409 OE1 GLU A 150 3.572 7.755 5.928 1.00 0.00 O ATOM 410 OE2 GLU A 150 5.229 7.502 4.505 1.00 0.00 O ATOM 0 H GLU A 150 1.329 5.589 4.609 1.00 0.00 H new ATOM 0 HA GLU A 150 3.426 3.560 4.605 1.00 0.00 H new ATOM 0 HB2 GLU A 150 2.516 5.811 6.371 1.00 0.00 H new ATOM 0 HB3 GLU A 150 3.358 4.478 7.137 1.00 0.00 H new ATOM 0 HG2 GLU A 150 5.274 5.490 6.569 1.00 0.00 H new ATOM 0 HG3 GLU A 150 4.943 5.025 4.912 1.00 0.00 H new ATOM 417 N ILE A 151 0.529 3.153 6.027 1.00 0.00 N ATOM 418 CA ILE A 151 -0.332 2.186 6.697 1.00 0.00 C ATOM 419 C ILE A 151 -0.325 0.843 5.972 1.00 0.00 C ATOM 420 O ILE A 151 0.183 -0.152 6.490 1.00 0.00 O ATOM 421 CB ILE A 151 -1.783 2.699 6.794 1.00 0.00 C ATOM 422 CG1 ILE A 151 -1.813 4.095 7.419 1.00 0.00 C ATOM 423 CG2 ILE A 151 -2.638 1.733 7.603 1.00 0.00 C ATOM 424 CD1 ILE A 151 -1.165 4.160 8.784 1.00 0.00 C ATOM 0 H ILE A 151 0.046 3.984 5.686 1.00 0.00 H new ATOM 0 HA ILE A 151 0.067 2.052 7.703 1.00 0.00 H new ATOM 0 HB ILE A 151 -2.196 2.762 5.787 1.00 0.00 H new ATOM 0 HG12 ILE A 151 -1.308 4.794 6.752 1.00 0.00 H new ATOM 0 HG13 ILE A 151 -2.849 4.425 7.501 1.00 0.00 H new ATOM 0 HG21 ILE A 151 -3.659 2.111 7.661 1.00 0.00 H new ATOM 0 HG22 ILE A 151 -2.640 0.756 7.119 1.00 0.00 H new ATOM 0 HG23 ILE A 151 -2.228 1.639 8.609 1.00 0.00 H new ATOM 0 HD11 ILE A 151 -1.223 5.179 9.166 1.00 0.00 H new ATOM 0 HD12 ILE A 151 -1.685 3.487 9.466 1.00 0.00 H new ATOM 0 HD13 ILE A 151 -0.120 3.861 8.705 1.00 0.00 H new ATOM 436 N HIS A 152 -0.896 0.821 4.772 1.00 0.00 N ATOM 437 CA HIS A 152 -0.962 -0.399 3.976 1.00 0.00 C ATOM 438 C HIS A 152 0.433 -0.919 3.633 1.00 0.00 C ATOM 439 O HIS A 152 0.596 -2.083 3.267 1.00 0.00 O ATOM 440 CB HIS A 152 -1.757 -0.151 2.693 1.00 0.00 C ATOM 441 CG HIS A 152 -3.205 0.134 2.937 1.00 0.00 C ATOM 442 ND1 HIS A 152 -3.769 1.382 2.771 1.00 0.00 N ATOM 443 CD2 HIS A 152 -4.212 -0.676 3.345 1.00 0.00 C ATOM 444 CE1 HIS A 152 -5.053 1.330 3.068 1.00 0.00 C ATOM 445 NE2 HIS A 152 -5.349 0.092 3.418 1.00 0.00 N ATOM 0 H HIS A 152 -1.320 1.636 4.329 1.00 0.00 H new ATOM 0 HA HIS A 152 -1.468 -1.158 4.573 1.00 0.00 H new ATOM 0 HB2 HIS A 152 -1.314 0.688 2.157 1.00 0.00 H new ATOM 0 HB3 HIS A 152 -1.670 -1.024 2.046 1.00 0.00 H new ATOM 0 HD2 HIS A 152 -4.135 -1.729 3.571 1.00 0.00 H new ATOM 0 HE1 HIS A 152 -5.744 2.159 3.031 1.00 0.00 H new ATOM 0 HE2 HIS A 152 -6.272 -0.240 3.697 1.00 0.00 H new ATOM 452 N SER A 153 1.438 -0.053 3.751 1.00 0.00 N ATOM 453 CA SER A 153 2.814 -0.437 3.450 1.00 0.00 C ATOM 454 C SER A 153 3.236 -1.655 4.268 1.00 0.00 C ATOM 455 O SER A 153 4.048 -2.464 3.821 1.00 0.00 O ATOM 456 CB SER A 153 3.764 0.732 3.723 1.00 0.00 C ATOM 457 OG SER A 153 4.189 0.742 5.076 1.00 0.00 O ATOM 0 H SER A 153 1.325 0.915 4.052 1.00 0.00 H new ATOM 0 HA SER A 153 2.866 -0.700 2.393 1.00 0.00 H new ATOM 0 HB2 SER A 153 4.632 0.660 3.067 1.00 0.00 H new ATOM 0 HB3 SER A 153 3.265 1.672 3.489 1.00 0.00 H new ATOM 0 HG SER A 153 3.841 1.542 5.522 1.00 0.00 H new ATOM 463 N LYS A 154 2.677 -1.778 5.467 1.00 0.00 N ATOM 464 CA LYS A 154 2.994 -2.897 6.346 1.00 0.00 C ATOM 465 C LYS A 154 1.735 -3.433 7.022 1.00 0.00 C ATOM 466 O LYS A 154 1.755 -3.792 8.200 1.00 0.00 O ATOM 467 CB LYS A 154 4.014 -2.469 7.403 1.00 0.00 C ATOM 468 CG LYS A 154 5.427 -2.324 6.862 1.00 0.00 C ATOM 469 CD LYS A 154 6.453 -2.939 7.801 1.00 0.00 C ATOM 470 CE LYS A 154 7.051 -1.896 8.732 1.00 0.00 C ATOM 471 NZ LYS A 154 7.622 -2.510 9.961 1.00 0.00 N ATOM 0 H LYS A 154 2.002 -1.117 5.852 1.00 0.00 H new ATOM 0 HA LYS A 154 3.424 -3.694 5.739 1.00 0.00 H new ATOM 0 HB2 LYS A 154 3.700 -1.519 7.835 1.00 0.00 H new ATOM 0 HB3 LYS A 154 4.017 -3.201 8.211 1.00 0.00 H new ATOM 0 HG2 LYS A 154 5.494 -2.803 5.885 1.00 0.00 H new ATOM 0 HG3 LYS A 154 5.654 -1.268 6.715 1.00 0.00 H new ATOM 0 HD2 LYS A 154 5.983 -3.727 8.389 1.00 0.00 H new ATOM 0 HD3 LYS A 154 7.247 -3.406 7.219 1.00 0.00 H new ATOM 0 HE2 LYS A 154 7.830 -1.345 8.206 1.00 0.00 H new ATOM 0 HE3 LYS A 154 6.283 -1.175 9.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 8.019 -1.765 10.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 6.873 -3.015 10.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 8.373 -3.179 9.698 1.00 0.00 H new ATOM 485 N ALA A 155 0.643 -3.485 6.268 1.00 0.00 N ATOM 486 CA ALA A 155 -0.626 -3.975 6.793 1.00 0.00 C ATOM 487 C ALA A 155 -0.883 -5.413 6.353 1.00 0.00 C ATOM 488 O ALA A 155 -0.040 -6.035 5.706 1.00 0.00 O ATOM 489 CB ALA A 155 -1.767 -3.074 6.345 1.00 0.00 C ATOM 0 H ALA A 155 0.611 -3.194 5.291 1.00 0.00 H new ATOM 0 HA ALA A 155 -0.570 -3.959 7.881 1.00 0.00 H new ATOM 0 HB1 ALA A 155 -2.708 -3.452 6.745 1.00 0.00 H new ATOM 0 HB2 ALA A 155 -1.597 -2.062 6.713 1.00 0.00 H new ATOM 0 HB3 ALA A 155 -1.814 -3.061 5.256 1.00 0.00 H new ATOM 495 N THR A 156 -2.052 -5.936 6.708 1.00 0.00 N ATOM 496 CA THR A 156 -2.420 -7.300 6.351 1.00 0.00 C ATOM 497 C THR A 156 -3.571 -7.313 5.351 1.00 0.00 C ATOM 498 O THR A 156 -3.548 -8.061 4.373 1.00 0.00 O ATOM 499 CB THR A 156 -2.825 -8.116 7.592 1.00 0.00 C ATOM 500 OG1 THR A 156 -3.647 -7.321 8.456 1.00 0.00 O ATOM 501 CG2 THR A 156 -1.597 -8.592 8.352 1.00 0.00 C ATOM 0 H THR A 156 -2.761 -5.435 7.243 1.00 0.00 H new ATOM 0 HA THR A 156 -1.541 -7.757 5.897 1.00 0.00 H new ATOM 0 HB THR A 156 -3.387 -8.988 7.257 1.00 0.00 H new ATOM 0 HG1 THR A 156 -3.901 -7.848 9.242 1.00 0.00 H new ATOM 0 HG21 THR A 156 -1.909 -9.166 9.224 1.00 0.00 H new ATOM 0 HG22 THR A 156 -0.988 -9.221 7.702 1.00 0.00 H new ATOM 0 HG23 THR A 156 -1.012 -7.731 8.675 1.00 0.00 H new ATOM 509 N THR A 157 -4.577 -6.482 5.600 1.00 0.00 N ATOM 510 CA THR A 157 -5.736 -6.399 4.722 1.00 0.00 C ATOM 511 C THR A 157 -5.789 -5.052 4.008 1.00 0.00 C ATOM 512 O THR A 157 -5.648 -4.001 4.633 1.00 0.00 O ATOM 513 CB THR A 157 -7.049 -6.605 5.501 1.00 0.00 C ATOM 514 OG1 THR A 157 -6.976 -5.941 6.769 1.00 0.00 O ATOM 515 CG2 THR A 157 -7.324 -8.086 5.714 1.00 0.00 C ATOM 0 H THR A 157 -4.612 -5.856 6.404 1.00 0.00 H new ATOM 0 HA THR A 157 -5.631 -7.195 3.985 1.00 0.00 H new ATOM 0 HB THR A 157 -7.864 -6.180 4.915 1.00 0.00 H new ATOM 0 HG1 THR A 157 -7.815 -6.075 7.257 1.00 0.00 H new ATOM 0 HG21 THR A 157 -8.256 -8.207 6.266 1.00 0.00 H new ATOM 0 HG22 THR A 157 -7.407 -8.583 4.748 1.00 0.00 H new ATOM 0 HG23 THR A 157 -6.506 -8.530 6.281 1.00 0.00 H new ATOM 523 N ALA A 158 -5.995 -5.091 2.696 1.00 0.00 N ATOM 524 CA ALA A 158 -6.067 -3.873 1.897 1.00 0.00 C ATOM 525 C ALA A 158 -6.960 -4.068 0.677 1.00 0.00 C ATOM 526 O ALA A 158 -6.823 -5.048 -0.055 1.00 0.00 O ATOM 527 CB ALA A 158 -4.672 -3.442 1.469 1.00 0.00 C ATOM 0 H ALA A 158 -6.115 -5.953 2.163 1.00 0.00 H new ATOM 0 HA ALA A 158 -6.506 -3.088 2.513 1.00 0.00 H new ATOM 0 HB1 ALA A 158 -4.739 -2.532 0.873 1.00 0.00 H new ATOM 0 HB2 ALA A 158 -4.062 -3.253 2.353 1.00 0.00 H new ATOM 0 HB3 ALA A 158 -4.214 -4.232 0.874 1.00 0.00 H new ATOM 533 N LEU A 159 -7.875 -3.128 0.464 1.00 0.00 N ATOM 534 CA LEU A 159 -8.792 -3.194 -0.669 1.00 0.00 C ATOM 535 C LEU A 159 -8.234 -2.430 -1.864 1.00 0.00 C ATOM 536 O LEU A 159 -7.968 -1.232 -1.778 1.00 0.00 O ATOM 537 CB LEU A 159 -10.158 -2.625 -0.278 1.00 0.00 C ATOM 538 CG LEU A 159 -11.346 -3.204 -1.050 1.00 0.00 C ATOM 539 CD1 LEU A 159 -11.113 -3.094 -2.548 1.00 0.00 C ATOM 540 CD2 LEU A 159 -11.586 -4.651 -0.651 1.00 0.00 C ATOM 0 H LEU A 159 -8.002 -2.311 1.061 1.00 0.00 H new ATOM 0 HA LEU A 159 -8.908 -4.240 -0.952 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -10.316 -2.799 0.786 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -10.140 -1.545 -0.425 1.00 0.00 H new ATOM 0 HG LEU A 159 -12.235 -2.626 -0.798 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -11.968 -3.511 -3.081 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -10.991 -2.046 -2.821 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -10.213 -3.647 -2.818 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -12.434 -5.047 -1.210 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -10.698 -5.242 -0.874 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -11.799 -4.704 0.417 1.00 0.00 H new ATOM 552 N VAL A 160 -8.059 -3.130 -2.980 1.00 0.00 N ATOM 553 CA VAL A 160 -7.532 -2.514 -4.192 1.00 0.00 C ATOM 554 C VAL A 160 -8.266 -3.019 -5.429 1.00 0.00 C ATOM 555 O VAL A 160 -7.885 -4.030 -6.019 1.00 0.00 O ATOM 556 CB VAL A 160 -6.024 -2.787 -4.357 1.00 0.00 C ATOM 557 CG1 VAL A 160 -5.435 -1.899 -5.442 1.00 0.00 C ATOM 558 CG2 VAL A 160 -5.295 -2.584 -3.037 1.00 0.00 C ATOM 0 H VAL A 160 -8.274 -4.123 -3.070 1.00 0.00 H new ATOM 0 HA VAL A 160 -7.688 -1.440 -4.091 1.00 0.00 H new ATOM 0 HB VAL A 160 -5.894 -3.826 -4.660 1.00 0.00 H new ATOM 0 HG11 VAL A 160 -4.370 -2.106 -5.544 1.00 0.00 H new ATOM 0 HG12 VAL A 160 -5.936 -2.101 -6.389 1.00 0.00 H new ATOM 0 HG13 VAL A 160 -5.577 -0.852 -5.172 1.00 0.00 H new ATOM 0 HG21 VAL A 160 -4.232 -2.782 -3.174 1.00 0.00 H new ATOM 0 HG22 VAL A 160 -5.433 -1.557 -2.700 1.00 0.00 H new ATOM 0 HG23 VAL A 160 -5.698 -3.268 -2.290 1.00 0.00 H new ATOM 568 N GLY A 161 -9.322 -2.310 -5.815 1.00 0.00 N ATOM 569 CA GLY A 161 -10.094 -2.704 -6.979 1.00 0.00 C ATOM 570 C GLY A 161 -11.294 -3.557 -6.618 1.00 0.00 C ATOM 571 O GLY A 161 -12.401 -3.320 -7.100 1.00 0.00 O ATOM 0 H GLY A 161 -9.657 -1.470 -5.343 1.00 0.00 H new ATOM 0 HA2 GLY A 161 -10.432 -1.812 -7.506 1.00 0.00 H new ATOM 0 HA3 GLY A 161 -9.453 -3.256 -7.666 1.00 0.00 H new ATOM 575 N GLY A 162 -11.073 -4.553 -5.765 1.00 0.00 N ATOM 576 CA GLY A 162 -12.154 -5.430 -5.352 1.00 0.00 C ATOM 577 C GLY A 162 -11.668 -6.583 -4.497 1.00 0.00 C ATOM 578 O GLY A 162 -12.365 -7.022 -3.583 1.00 0.00 O ATOM 0 H GLY A 162 -10.165 -4.768 -5.353 1.00 0.00 H new ATOM 0 HA2 GLY A 162 -12.893 -4.854 -4.795 1.00 0.00 H new ATOM 0 HA3 GLY A 162 -12.657 -5.823 -6.235 1.00 0.00 H new ATOM 582 N ILE A 163 -10.469 -7.073 -4.794 1.00 0.00 N ATOM 583 CA ILE A 163 -9.890 -8.181 -4.047 1.00 0.00 C ATOM 584 C ILE A 163 -8.884 -7.681 -3.015 1.00 0.00 C ATOM 585 O ILE A 163 -8.060 -6.813 -3.306 1.00 0.00 O ATOM 586 CB ILE A 163 -9.189 -9.185 -4.982 1.00 0.00 C ATOM 587 CG1 ILE A 163 -10.106 -9.557 -6.147 1.00 0.00 C ATOM 588 CG2 ILE A 163 -8.774 -10.429 -4.208 1.00 0.00 C ATOM 589 CD1 ILE A 163 -9.381 -10.210 -7.303 1.00 0.00 C ATOM 0 H ILE A 163 -9.880 -6.719 -5.548 1.00 0.00 H new ATOM 0 HA ILE A 163 -10.713 -8.683 -3.538 1.00 0.00 H new ATOM 0 HB ILE A 163 -8.292 -8.716 -5.387 1.00 0.00 H new ATOM 0 HG12 ILE A 163 -10.881 -10.233 -5.787 1.00 0.00 H new ATOM 0 HG13 ILE A 163 -10.608 -8.658 -6.505 1.00 0.00 H new ATOM 0 HG21 ILE A 163 -8.280 -11.129 -4.882 1.00 0.00 H new ATOM 0 HG22 ILE A 163 -8.087 -10.148 -3.409 1.00 0.00 H new ATOM 0 HG23 ILE A 163 -9.657 -10.901 -3.778 1.00 0.00 H new ATOM 0 HD11 ILE A 163 -10.094 -10.446 -8.093 1.00 0.00 H new ATOM 0 HD12 ILE A 163 -8.624 -9.528 -7.690 1.00 0.00 H new ATOM 0 HD13 ILE A 163 -8.902 -11.127 -6.961 1.00 0.00 H new ATOM 601 N MET A 164 -8.958 -8.233 -1.809 1.00 0.00 N ATOM 602 CA MET A 164 -8.055 -7.845 -0.734 1.00 0.00 C ATOM 603 C MET A 164 -6.608 -8.160 -1.098 1.00 0.00 C ATOM 604 O MET A 164 -6.343 -8.924 -2.025 1.00 0.00 O ATOM 605 CB MET A 164 -8.434 -8.560 0.564 1.00 0.00 C ATOM 606 CG MET A 164 -9.392 -7.765 1.438 1.00 0.00 C ATOM 607 SD MET A 164 -11.084 -8.385 1.357 1.00 0.00 S ATOM 608 CE MET A 164 -11.938 -7.169 2.358 1.00 0.00 C ATOM 0 H MET A 164 -9.635 -8.951 -1.552 1.00 0.00 H new ATOM 0 HA MET A 164 -8.148 -6.769 -0.587 1.00 0.00 H new ATOM 0 HB2 MET A 164 -8.889 -9.520 0.321 1.00 0.00 H new ATOM 0 HB3 MET A 164 -7.527 -8.771 1.131 1.00 0.00 H new ATOM 0 HG2 MET A 164 -9.047 -7.797 2.471 1.00 0.00 H new ATOM 0 HG3 MET A 164 -9.377 -6.720 1.129 1.00 0.00 H new ATOM 0 HE1 MET A 164 -12.987 -7.128 2.065 1.00 0.00 H new ATOM 0 HE2 MET A 164 -11.866 -7.448 3.409 1.00 0.00 H new ATOM 0 HE3 MET A 164 -11.482 -6.190 2.210 1.00 0.00 H new ATOM 618 N GLN A 165 -5.674 -7.565 -0.361 1.00 0.00 N ATOM 619 CA GLN A 165 -4.253 -7.783 -0.605 1.00 0.00 C ATOM 620 C GLN A 165 -3.406 -7.031 0.417 1.00 0.00 C ATOM 621 O GLN A 165 -3.932 -6.305 1.260 1.00 0.00 O ATOM 622 CB GLN A 165 -3.883 -7.336 -2.020 1.00 0.00 C ATOM 623 CG GLN A 165 -4.422 -5.961 -2.385 1.00 0.00 C ATOM 624 CD GLN A 165 -4.561 -5.770 -3.882 1.00 0.00 C ATOM 625 OE1 GLN A 165 -3.672 -5.226 -4.536 1.00 0.00 O ATOM 626 NE2 GLN A 165 -5.684 -6.217 -4.433 1.00 0.00 N ATOM 0 H GLN A 165 -5.877 -6.928 0.410 1.00 0.00 H new ATOM 0 HA GLN A 165 -4.051 -8.849 -0.505 1.00 0.00 H new ATOM 0 HB2 GLN A 165 -2.797 -7.329 -2.118 1.00 0.00 H new ATOM 0 HB3 GLN A 165 -4.263 -8.067 -2.734 1.00 0.00 H new ATOM 0 HG2 GLN A 165 -5.394 -5.818 -1.912 1.00 0.00 H new ATOM 0 HG3 GLN A 165 -3.757 -5.196 -1.985 1.00 0.00 H new ATOM 0 HE21 GLN A 165 -6.395 -6.662 -3.853 1.00 0.00 H new ATOM 0 HE22 GLN A 165 -5.835 -6.115 -5.437 1.00 0.00 H new ATOM 635 N ARG A 166 -2.092 -7.210 0.333 1.00 0.00 N ATOM 636 CA ARG A 166 -1.171 -6.548 1.250 1.00 0.00 C ATOM 637 C ARG A 166 0.150 -6.231 0.559 1.00 0.00 C ATOM 638 O ARG A 166 0.622 -6.995 -0.283 1.00 0.00 O ATOM 639 CB ARG A 166 -0.921 -7.427 2.477 1.00 0.00 C ATOM 640 CG ARG A 166 -0.229 -8.741 2.153 1.00 0.00 C ATOM 641 CD ARG A 166 1.230 -8.726 2.585 1.00 0.00 C ATOM 642 NE ARG A 166 1.413 -9.298 3.916 1.00 0.00 N ATOM 643 CZ ARG A 166 2.581 -9.339 4.551 1.00 0.00 C ATOM 644 NH1 ARG A 166 3.673 -8.844 3.981 1.00 0.00 N ATOM 645 NH2 ARG A 166 2.660 -9.877 5.762 1.00 0.00 N ATOM 0 H ARG A 166 -1.641 -7.807 -0.360 1.00 0.00 H new ATOM 0 HA ARG A 166 -1.626 -5.611 1.570 1.00 0.00 H new ATOM 0 HB2 ARG A 166 -0.314 -6.873 3.193 1.00 0.00 H new ATOM 0 HB3 ARG A 166 -1.874 -7.638 2.963 1.00 0.00 H new ATOM 0 HG2 ARG A 166 -0.748 -9.559 2.652 1.00 0.00 H new ATOM 0 HG3 ARG A 166 -0.290 -8.931 1.081 1.00 0.00 H new ATOM 0 HD2 ARG A 166 1.827 -9.286 1.865 1.00 0.00 H new ATOM 0 HD3 ARG A 166 1.600 -7.701 2.577 1.00 0.00 H new ATOM 0 HE ARG A 166 0.597 -9.689 4.387 1.00 0.00 H new ATOM 0 HH11 ARG A 166 3.619 -8.429 3.051 1.00 0.00 H new ATOM 0 HH12 ARG A 166 4.566 -8.879 4.473 1.00 0.00 H new ATOM 0 HH21 ARG A 166 1.825 -10.259 6.206 1.00 0.00 H new ATOM 0 HH22 ARG A 166 3.556 -9.908 6.249 1.00 0.00 H new ATOM 659 N PHE A 167 0.743 -5.097 0.919 1.00 0.00 N ATOM 660 CA PHE A 167 2.011 -4.677 0.333 1.00 0.00 C ATOM 661 C PHE A 167 3.157 -5.553 0.829 1.00 0.00 C ATOM 662 O PHE A 167 3.062 -6.181 1.884 1.00 0.00 O ATOM 663 CB PHE A 167 2.292 -3.211 0.670 1.00 0.00 C ATOM 664 CG PHE A 167 3.570 -2.691 0.075 1.00 0.00 C ATOM 665 CD1 PHE A 167 3.588 -2.155 -1.202 1.00 0.00 C ATOM 666 CD2 PHE A 167 4.753 -2.739 0.795 1.00 0.00 C ATOM 667 CE1 PHE A 167 4.762 -1.677 -1.751 1.00 0.00 C ATOM 668 CE2 PHE A 167 5.931 -2.262 0.250 1.00 0.00 C ATOM 669 CZ PHE A 167 5.935 -1.730 -1.024 1.00 0.00 C ATOM 0 H PHE A 167 0.366 -4.453 1.614 1.00 0.00 H new ATOM 0 HA PHE A 167 1.936 -4.786 -0.749 1.00 0.00 H new ATOM 0 HB2 PHE A 167 1.461 -2.600 0.316 1.00 0.00 H new ATOM 0 HB3 PHE A 167 2.333 -3.097 1.753 1.00 0.00 H new ATOM 0 HD1 PHE A 167 2.674 -2.110 -1.775 1.00 0.00 H new ATOM 0 HD2 PHE A 167 4.755 -3.153 1.792 1.00 0.00 H new ATOM 0 HE1 PHE A 167 4.763 -1.262 -2.748 1.00 0.00 H new ATOM 0 HE2 PHE A 167 6.847 -2.306 0.820 1.00 0.00 H new ATOM 0 HZ PHE A 167 6.854 -1.356 -1.451 1.00 0.00 H new ATOM 679 N CYS A 168 4.242 -5.590 0.061 1.00 0.00 N ATOM 680 CA CYS A 168 5.408 -6.388 0.420 1.00 0.00 C ATOM 681 C CYS A 168 6.675 -5.539 0.395 1.00 0.00 C ATOM 682 O CYS A 168 6.894 -4.761 -0.533 1.00 0.00 O ATOM 683 CB CYS A 168 5.556 -7.573 -0.536 1.00 0.00 C ATOM 684 SG CYS A 168 4.160 -8.722 -0.507 1.00 0.00 S ATOM 0 H CYS A 168 4.337 -5.076 -0.815 1.00 0.00 H new ATOM 0 HA CYS A 168 5.262 -6.764 1.433 1.00 0.00 H new ATOM 0 HB2 CYS A 168 5.680 -7.194 -1.551 1.00 0.00 H new ATOM 0 HB3 CYS A 168 6.466 -8.117 -0.285 1.00 0.00 H new ATOM 0 HG CYS A 168 4.376 -9.689 -1.349 1.00 0.00 H new ATOM 690 N GLN A 169 7.504 -5.692 1.421 1.00 0.00 N ATOM 691 CA GLN A 169 8.751 -4.939 1.515 1.00 0.00 C ATOM 692 C GLN A 169 9.778 -5.456 0.515 1.00 0.00 C ATOM 693 O GLN A 169 10.619 -4.700 0.027 1.00 0.00 O ATOM 694 CB GLN A 169 9.314 -5.024 2.936 1.00 0.00 C ATOM 695 CG GLN A 169 8.885 -3.873 3.831 1.00 0.00 C ATOM 696 CD GLN A 169 8.752 -4.283 5.284 1.00 0.00 C ATOM 697 OE1 GLN A 169 8.036 -5.230 5.611 1.00 0.00 O ATOM 698 NE2 GLN A 169 9.442 -3.569 6.167 1.00 0.00 N ATOM 0 H GLN A 169 7.336 -6.330 2.199 1.00 0.00 H new ATOM 0 HA GLN A 169 8.536 -3.897 1.277 1.00 0.00 H new ATOM 0 HB2 GLN A 169 8.995 -5.963 3.388 1.00 0.00 H new ATOM 0 HB3 GLN A 169 10.403 -5.048 2.886 1.00 0.00 H new ATOM 0 HG2 GLN A 169 9.612 -3.065 3.750 1.00 0.00 H new ATOM 0 HG3 GLN A 169 7.931 -3.480 3.479 1.00 0.00 H new ATOM 0 HE21 GLN A 169 10.023 -2.792 5.852 1.00 0.00 H new ATOM 0 HE22 GLN A 169 9.391 -3.798 7.160 1.00 0.00 H new ATOM 707 N GLN A 170 9.705 -6.748 0.212 1.00 0.00 N ATOM 708 CA GLN A 170 10.631 -7.366 -0.732 1.00 0.00 C ATOM 709 C GLN A 170 10.189 -7.120 -2.170 1.00 0.00 C ATOM 710 O GLN A 170 10.834 -6.375 -2.909 1.00 0.00 O ATOM 711 CB GLN A 170 10.733 -8.869 -0.467 1.00 0.00 C ATOM 712 CG GLN A 170 11.344 -9.210 0.881 1.00 0.00 C ATOM 713 CD GLN A 170 12.858 -9.114 0.876 1.00 0.00 C ATOM 714 OE1 GLN A 170 13.428 -8.150 0.366 1.00 0.00 O ATOM 715 NE2 GLN A 170 13.517 -10.115 1.446 1.00 0.00 N ATOM 0 H GLN A 170 9.015 -7.388 0.606 1.00 0.00 H new ATOM 0 HA GLN A 170 11.611 -6.911 -0.591 1.00 0.00 H new ATOM 0 HB2 GLN A 170 9.737 -9.308 -0.526 1.00 0.00 H new ATOM 0 HB3 GLN A 170 11.331 -9.328 -1.254 1.00 0.00 H new ATOM 0 HG2 GLN A 170 10.943 -8.536 1.638 1.00 0.00 H new ATOM 0 HG3 GLN A 170 11.049 -10.220 1.165 1.00 0.00 H new ATOM 0 HE21 GLN A 170 13.004 -10.895 1.857 1.00 0.00 H new ATOM 0 HE22 GLN A 170 14.537 -10.104 1.473 1.00 0.00 H new ATOM 724 N CYS A 171 9.087 -7.751 -2.561 1.00 0.00 N ATOM 725 CA CYS A 171 8.559 -7.603 -3.914 1.00 0.00 C ATOM 726 C CYS A 171 8.237 -6.143 -4.219 1.00 0.00 C ATOM 727 O CYS A 171 8.279 -5.717 -5.373 1.00 0.00 O ATOM 728 CB CYS A 171 7.305 -8.460 -4.091 1.00 0.00 C ATOM 729 SG CYS A 171 7.086 -9.110 -5.763 1.00 0.00 S ATOM 0 H CYS A 171 8.542 -8.370 -1.961 1.00 0.00 H new ATOM 0 HA CYS A 171 9.324 -7.940 -4.613 1.00 0.00 H new ATOM 0 HB2 CYS A 171 7.346 -9.294 -3.391 1.00 0.00 H new ATOM 0 HB3 CYS A 171 6.431 -7.865 -3.827 1.00 0.00 H new ATOM 0 HG CYS A 171 7.411 -8.197 -6.630 1.00 0.00 H new ATOM 735 N SER A 172 7.915 -5.380 -3.178 1.00 0.00 N ATOM 736 CA SER A 172 7.586 -3.968 -3.339 1.00 0.00 C ATOM 737 C SER A 172 6.356 -3.794 -4.224 1.00 0.00 C ATOM 738 O SER A 172 6.233 -2.803 -4.945 1.00 0.00 O ATOM 739 CB SER A 172 8.772 -3.210 -3.936 1.00 0.00 C ATOM 740 OG SER A 172 9.716 -2.868 -2.936 1.00 0.00 O ATOM 0 H SER A 172 7.875 -5.716 -2.216 1.00 0.00 H new ATOM 0 HA SER A 172 7.363 -3.558 -2.354 1.00 0.00 H new ATOM 0 HB2 SER A 172 9.252 -3.823 -4.699 1.00 0.00 H new ATOM 0 HB3 SER A 172 8.418 -2.305 -4.430 1.00 0.00 H new ATOM 0 HG SER A 172 10.622 -2.933 -3.305 1.00 0.00 H new ATOM 746 N ARG A 173 5.449 -4.763 -4.165 1.00 0.00 N ATOM 747 CA ARG A 173 4.228 -4.717 -4.962 1.00 0.00 C ATOM 748 C ARG A 173 3.055 -5.317 -4.192 1.00 0.00 C ATOM 749 O ARG A 173 3.248 -6.060 -3.229 1.00 0.00 O ATOM 750 CB ARG A 173 4.428 -5.464 -6.283 1.00 0.00 C ATOM 751 CG ARG A 173 4.375 -4.563 -7.506 1.00 0.00 C ATOM 752 CD ARG A 173 3.053 -4.702 -8.246 1.00 0.00 C ATOM 753 NE ARG A 173 2.605 -3.431 -8.809 1.00 0.00 N ATOM 754 CZ ARG A 173 3.228 -2.796 -9.799 1.00 0.00 C ATOM 755 NH1 ARG A 173 4.328 -3.310 -10.336 1.00 0.00 N ATOM 756 NH2 ARG A 173 2.753 -1.646 -10.254 1.00 0.00 N ATOM 0 H ARG A 173 5.536 -5.590 -3.574 1.00 0.00 H new ATOM 0 HA ARG A 173 4.000 -3.673 -5.177 1.00 0.00 H new ATOM 0 HB2 ARG A 173 5.391 -5.975 -6.260 1.00 0.00 H new ATOM 0 HB3 ARG A 173 3.661 -6.233 -6.375 1.00 0.00 H new ATOM 0 HG2 ARG A 173 4.515 -3.526 -7.201 1.00 0.00 H new ATOM 0 HG3 ARG A 173 5.197 -4.811 -8.178 1.00 0.00 H new ATOM 0 HD2 ARG A 173 3.160 -5.435 -9.046 1.00 0.00 H new ATOM 0 HD3 ARG A 173 2.294 -5.084 -7.563 1.00 0.00 H new ATOM 0 HE ARG A 173 1.764 -3.004 -8.420 1.00 0.00 H new ATOM 0 HH11 ARG A 173 4.699 -4.195 -9.990 1.00 0.00 H new ATOM 0 HH12 ARG A 173 4.802 -2.820 -11.095 1.00 0.00 H new ATOM 0 HH21 ARG A 173 1.908 -1.246 -9.846 1.00 0.00 H new ATOM 0 HH22 ARG A 173 3.232 -1.161 -11.013 1.00 0.00 H new ATOM 770 N PHE A 174 1.841 -4.990 -4.623 1.00 0.00 N ATOM 771 CA PHE A 174 0.637 -5.496 -3.973 1.00 0.00 C ATOM 772 C PHE A 174 0.322 -6.913 -4.444 1.00 0.00 C ATOM 773 O PHE A 174 0.065 -7.143 -5.625 1.00 0.00 O ATOM 774 CB PHE A 174 -0.548 -4.572 -4.260 1.00 0.00 C ATOM 775 CG PHE A 174 -0.834 -3.601 -3.150 1.00 0.00 C ATOM 776 CD1 PHE A 174 -1.113 -4.055 -1.870 1.00 0.00 C ATOM 777 CD2 PHE A 174 -0.823 -2.236 -3.387 1.00 0.00 C ATOM 778 CE1 PHE A 174 -1.376 -3.164 -0.847 1.00 0.00 C ATOM 779 CE2 PHE A 174 -1.086 -1.340 -2.367 1.00 0.00 C ATOM 780 CZ PHE A 174 -1.363 -1.804 -1.096 1.00 0.00 C ATOM 0 H PHE A 174 1.665 -4.377 -5.419 1.00 0.00 H new ATOM 0 HA PHE A 174 0.815 -5.521 -2.898 1.00 0.00 H new ATOM 0 HB2 PHE A 174 -0.351 -4.016 -5.177 1.00 0.00 H new ATOM 0 HB3 PHE A 174 -1.436 -5.178 -4.439 1.00 0.00 H new ATOM 0 HD1 PHE A 174 -1.125 -5.116 -1.670 1.00 0.00 H new ATOM 0 HD2 PHE A 174 -0.607 -1.868 -4.379 1.00 0.00 H new ATOM 0 HE1 PHE A 174 -1.592 -3.530 0.146 1.00 0.00 H new ATOM 0 HE2 PHE A 174 -1.075 -0.278 -2.564 1.00 0.00 H new ATOM 0 HZ PHE A 174 -1.569 -1.106 -0.298 1.00 0.00 H new ATOM 790 N HIS A 175 0.343 -7.860 -3.510 1.00 0.00 N ATOM 791 CA HIS A 175 0.059 -9.254 -3.830 1.00 0.00 C ATOM 792 C HIS A 175 -1.288 -9.680 -3.254 1.00 0.00 C ATOM 793 O HIS A 175 -1.679 -9.239 -2.172 1.00 0.00 O ATOM 794 CB HIS A 175 1.167 -10.159 -3.288 1.00 0.00 C ATOM 795 CG HIS A 175 2.349 -10.268 -4.200 1.00 0.00 C ATOM 796 ND1 HIS A 175 2.419 -11.177 -5.236 1.00 0.00 N ATOM 797 CD2 HIS A 175 3.512 -9.576 -4.231 1.00 0.00 C ATOM 798 CE1 HIS A 175 3.573 -11.039 -5.862 1.00 0.00 C ATOM 799 NE2 HIS A 175 4.255 -10.075 -5.273 1.00 0.00 N ATOM 0 H HIS A 175 0.554 -7.687 -2.527 1.00 0.00 H new ATOM 0 HA HIS A 175 0.018 -9.351 -4.915 1.00 0.00 H new ATOM 0 HB2 HIS A 175 1.497 -9.777 -2.322 1.00 0.00 H new ATOM 0 HB3 HIS A 175 0.759 -11.155 -3.114 1.00 0.00 H new ATOM 0 HD2 HIS A 175 3.802 -8.780 -3.561 1.00 0.00 H new ATOM 0 HE1 HIS A 175 3.903 -11.617 -6.712 1.00 0.00 H new ATOM 0 HE2 HIS A 175 5.183 -9.753 -5.547 1.00 0.00 H new ATOM 807 N VAL A 176 -1.995 -10.538 -3.983 1.00 0.00 N ATOM 808 CA VAL A 176 -3.298 -11.022 -3.547 1.00 0.00 C ATOM 809 C VAL A 176 -3.205 -11.705 -2.186 1.00 0.00 C ATOM 810 O VAL A 176 -2.201 -12.339 -1.865 1.00 0.00 O ATOM 811 CB VAL A 176 -3.899 -12.011 -4.562 1.00 0.00 C ATOM 812 CG1 VAL A 176 -5.338 -12.345 -4.197 1.00 0.00 C ATOM 813 CG2 VAL A 176 -3.818 -11.445 -5.972 1.00 0.00 C ATOM 0 H VAL A 176 -1.686 -10.912 -4.880 1.00 0.00 H new ATOM 0 HA VAL A 176 -3.948 -10.150 -3.470 1.00 0.00 H new ATOM 0 HB VAL A 176 -3.317 -12.932 -4.530 1.00 0.00 H new ATOM 0 HG11 VAL A 176 -5.745 -13.045 -4.926 1.00 0.00 H new ATOM 0 HG12 VAL A 176 -5.366 -12.796 -3.205 1.00 0.00 H new ATOM 0 HG13 VAL A 176 -5.935 -11.433 -4.198 1.00 0.00 H new ATOM 0 HG21 VAL A 176 -4.248 -12.158 -6.676 1.00 0.00 H new ATOM 0 HG22 VAL A 176 -4.373 -10.508 -6.020 1.00 0.00 H new ATOM 0 HG23 VAL A 176 -2.775 -11.263 -6.232 1.00 0.00 H new ATOM 823 N LEU A 177 -4.261 -11.570 -1.390 1.00 0.00 N ATOM 824 CA LEU A 177 -4.301 -12.175 -0.063 1.00 0.00 C ATOM 825 C LEU A 177 -4.532 -13.681 -0.160 1.00 0.00 C ATOM 826 O LEU A 177 -5.624 -14.172 0.125 1.00 0.00 O ATOM 827 CB LEU A 177 -5.404 -11.529 0.780 1.00 0.00 C ATOM 828 CG LEU A 177 -5.087 -11.399 2.271 1.00 0.00 C ATOM 829 CD1 LEU A 177 -3.979 -10.382 2.494 1.00 0.00 C ATOM 830 CD2 LEU A 177 -6.337 -11.008 3.046 1.00 0.00 C ATOM 0 H LEU A 177 -5.100 -11.047 -1.641 1.00 0.00 H new ATOM 0 HA LEU A 177 -3.338 -12.004 0.419 1.00 0.00 H new ATOM 0 HB2 LEU A 177 -5.611 -10.536 0.380 1.00 0.00 H new ATOM 0 HB3 LEU A 177 -6.316 -12.115 0.668 1.00 0.00 H new ATOM 0 HG LEU A 177 -4.742 -12.366 2.637 1.00 0.00 H new ATOM 0 HD11 LEU A 177 -3.767 -10.303 3.560 1.00 0.00 H new ATOM 0 HD12 LEU A 177 -3.080 -10.702 1.968 1.00 0.00 H new ATOM 0 HD13 LEU A 177 -4.295 -9.411 2.114 1.00 0.00 H new ATOM 0 HD21 LEU A 177 -6.096 -10.919 4.105 1.00 0.00 H new ATOM 0 HD22 LEU A 177 -6.709 -10.052 2.678 1.00 0.00 H new ATOM 0 HD23 LEU A 177 -7.103 -11.772 2.911 1.00 0.00 H new