USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 593 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 84 SER OG : rot -61:sc= 1.25 USER MOD Set 1.2: A 415 SER OG : rot -119:sc= 1.07 USER MOD Set 2.1: A 115 CYS SG : rot 136:sc= 1.87 USER MOD Set 2.2: A 118 CYS SG : rot 59:sc= -2.8! USER MOD Set 2.3: A 120 ASN :FLIP amide:sc= -0.0669 F(o=-3.6!,f=-1.9) USER MOD Set 2.4: A 137 CYS SG : rot -34:sc= -0.917! USER MOD Set 2.5: A 139 HIS : no HD1:sc= 0 X(o=-1.9,f=-1.9) USER MOD Set 3.1: A 108 TYR OH : rot 180:sc= 0.401 USER MOD Set 3.2: A 130 TYR OH : rot 16:sc= 0.426 USER MOD Set 4.1: A 92 GLN :FLIP amide:sc= -1.05 F(o=-4.8!,f=-3.7) USER MOD Set 4.2: A 93 SER OG : rot -50:sc= -2.65! USER MOD Set 5.1: A 87 CYS SG : rot 142:sc= 2.09 USER MOD Set 5.2: A 90 CYS SG : rot 133:sc= 0.647 USER MOD Set 5.3: A 109 HIS : no HD1:sc= -1.71 X(o=-6.5,f=-6.5) USER MOD Set 5.4: A 112 CYS SG : rot -110:sc= -7.5! USER MOD Single : A 83 ASN : amide:sc= -0.585 K(o=-0.59,f=-2.5!) USER MOD Single : A 88 SER OG : rot 130:sc= -0.164 USER MOD Single : A 97 SER OG : rot 180:sc= 0.13 USER MOD Single : A 101 MET CE :methyl 155:sc= -0.217 (180deg=-1.61!) USER MOD Single : A 104 GLN : amide:sc= -0.0848 K(o=-0.085,f=-2.3!) USER MOD Single : A 106 ASN : amide:sc= 0.0237 K(o=0.024,f=-4.2!) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot -110:sc= 0.538 USER MOD Single : A 116 SER OG : rot 68:sc= 1.34 USER MOD Single : A 117 THR OG1 : rot 155:sc= 1.02 USER MOD Single : A 129 HIS : no HD1:sc= 0.974 K(o=0.97,f=-6.4!) USER MOD Single : A 132 ASN : amide:sc= 1.03 K(o=1,f=-0.038) USER MOD Single : A 134 SER OG : rot 71:sc= 1.23 USER MOD Single : A 143 THR OG1 : rot 180:sc= 0 USER MOD Single : A 208 SER OG : rot 180:sc= 0.0762 USER MOD Single : A 414 THR OG1 : rot -57:sc= 0.112 USER MOD ----------------------------------------------------------------- ATOM 61 N ARG A 79 -17.208 7.281 -2.178 1.00 0.00 N ATOM 62 CA ARG A 79 -16.305 6.365 -2.864 1.00 0.00 C ATOM 63 C ARG A 79 -16.074 5.121 -2.012 1.00 0.00 C ATOM 64 O ARG A 79 -15.503 4.129 -2.468 1.00 0.00 O ATOM 65 CB ARG A 79 -14.972 7.058 -3.148 1.00 0.00 C ATOM 66 CG ARG A 79 -14.664 7.210 -4.627 1.00 0.00 C ATOM 67 CD ARG A 79 -13.237 7.693 -4.848 1.00 0.00 C ATOM 68 NE ARG A 79 -12.443 6.728 -5.609 1.00 0.00 N ATOM 69 CZ ARG A 79 -12.009 6.935 -6.854 1.00 0.00 C ATOM 70 NH1 ARG A 79 -12.243 8.092 -7.465 1.00 0.00 N ATOM 71 NH2 ARG A 79 -11.319 5.986 -7.484 1.00 0.00 N ATOM 0 HA ARG A 79 -16.758 6.067 -3.810 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -14.980 8.045 -2.685 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -14.170 6.491 -2.676 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -14.809 6.254 -5.131 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -15.363 7.916 -5.076 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -13.255 8.646 -5.378 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -12.762 7.873 -3.884 1.00 0.00 H new ATOM 0 HE ARG A 79 -12.207 5.843 -5.161 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -12.757 8.829 -6.982 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -11.908 8.243 -8.417 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -11.123 5.102 -7.015 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -10.987 6.143 -8.436 1.00 0.00 H new ATOM 85 N LEU A 80 -16.552 5.178 -0.772 1.00 0.00 N ATOM 86 CA LEU A 80 -16.297 4.123 0.203 1.00 0.00 C ATOM 87 C LEU A 80 -17.484 3.166 0.325 1.00 0.00 C ATOM 88 O LEU A 80 -17.551 2.388 1.275 1.00 0.00 O ATOM 89 CB LEU A 80 -15.979 4.742 1.570 1.00 0.00 C ATOM 90 CG LEU A 80 -14.659 5.514 1.648 1.00 0.00 C ATOM 91 CD1 LEU A 80 -14.891 6.991 1.376 1.00 0.00 C ATOM 92 CD2 LEU A 80 -14.011 5.323 3.010 1.00 0.00 C ATOM 0 H LEU A 80 -17.120 5.947 -0.418 1.00 0.00 H new ATOM 0 HA LEU A 80 -15.441 3.546 -0.146 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -16.791 5.415 1.843 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -15.960 3.947 2.315 1.00 0.00 H new ATOM 0 HG LEU A 80 -13.985 5.122 0.886 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -13.943 7.525 1.435 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -15.316 7.115 0.380 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -15.581 7.393 2.117 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -13.074 5.878 3.048 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -14.682 5.690 3.787 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -13.812 4.264 3.173 1.00 0.00 H new ATOM 104 N PHE A 81 -18.407 3.237 -0.641 1.00 0.00 N ATOM 105 CA PHE A 81 -19.565 2.330 -0.707 1.00 0.00 C ATOM 106 C PHE A 81 -20.277 2.202 0.643 1.00 0.00 C ATOM 107 O PHE A 81 -20.440 1.101 1.166 1.00 0.00 O ATOM 108 CB PHE A 81 -19.119 0.945 -1.186 1.00 0.00 C ATOM 109 CG PHE A 81 -19.738 0.518 -2.490 1.00 0.00 C ATOM 110 CD1 PHE A 81 -19.386 1.136 -3.679 1.00 0.00 C ATOM 111 CD2 PHE A 81 -20.671 -0.508 -2.524 1.00 0.00 C ATOM 112 CE1 PHE A 81 -19.955 0.742 -4.875 1.00 0.00 C ATOM 113 CE2 PHE A 81 -21.242 -0.905 -3.719 1.00 0.00 C ATOM 114 CZ PHE A 81 -20.883 -0.280 -4.897 1.00 0.00 C ATOM 0 H PHE A 81 -18.375 3.921 -1.397 1.00 0.00 H new ATOM 0 HA PHE A 81 -20.273 2.759 -1.416 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -18.034 0.941 -1.292 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -19.367 0.210 -0.420 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -18.659 1.935 -3.671 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -20.955 -1.002 -1.607 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -19.673 1.234 -5.794 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -21.969 -1.704 -3.731 1.00 0.00 H new ATOM 0 HZ PHE A 81 -21.326 -0.589 -5.832 1.00 0.00 H new ATOM 124 N GLY A 82 -20.700 3.330 1.199 1.00 0.00 N ATOM 125 CA GLY A 82 -21.362 3.310 2.495 1.00 0.00 C ATOM 126 C GLY A 82 -20.401 3.607 3.627 1.00 0.00 C ATOM 127 O GLY A 82 -20.758 3.510 4.802 1.00 0.00 O ATOM 0 H GLY A 82 -20.599 4.255 0.781 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -22.168 4.044 2.502 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -21.819 2.333 2.654 1.00 0.00 H new ATOM 131 N ASN A 83 -19.169 3.937 3.253 1.00 0.00 N ATOM 132 CA ASN A 83 -18.120 4.348 4.187 1.00 0.00 C ATOM 133 C ASN A 83 -17.648 3.199 5.067 1.00 0.00 C ATOM 134 O ASN A 83 -17.832 3.203 6.286 1.00 0.00 O ATOM 135 CB ASN A 83 -18.567 5.538 5.046 1.00 0.00 C ATOM 136 CG ASN A 83 -17.408 6.193 5.776 1.00 0.00 C ATOM 137 OD1 ASN A 83 -16.352 6.447 5.196 1.00 0.00 O ATOM 138 ND2 ASN A 83 -17.603 6.485 7.051 1.00 0.00 N ATOM 0 H ASN A 83 -18.864 3.927 2.280 1.00 0.00 H new ATOM 0 HA ASN A 83 -17.272 4.664 3.580 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -19.057 6.277 4.412 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -19.306 5.201 5.772 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -16.864 6.937 7.590 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -18.492 6.258 7.496 1.00 0.00 H new ATOM 145 N SER A 84 -17.038 2.216 4.432 1.00 0.00 N ATOM 146 CA SER A 84 -16.409 1.123 5.150 1.00 0.00 C ATOM 147 C SER A 84 -14.892 1.270 5.098 1.00 0.00 C ATOM 148 O SER A 84 -14.221 1.318 6.130 1.00 0.00 O ATOM 149 CB SER A 84 -16.831 -0.207 4.537 1.00 0.00 C ATOM 150 OG SER A 84 -17.831 -0.006 3.548 1.00 0.00 O ATOM 0 H SER A 84 -16.965 2.152 3.417 1.00 0.00 H new ATOM 0 HA SER A 84 -16.727 1.149 6.192 1.00 0.00 H new ATOM 0 HB2 SER A 84 -15.966 -0.700 4.093 1.00 0.00 H new ATOM 0 HB3 SER A 84 -17.210 -0.869 5.316 1.00 0.00 H new ATOM 0 HG SER A 84 -18.620 0.404 3.960 1.00 0.00 H new ATOM 156 N GLY A 85 -14.364 1.365 3.884 1.00 0.00 N ATOM 157 CA GLY A 85 -12.938 1.518 3.692 1.00 0.00 C ATOM 158 C GLY A 85 -12.620 2.013 2.298 1.00 0.00 C ATOM 159 O GLY A 85 -13.496 2.017 1.429 1.00 0.00 O ATOM 0 H GLY A 85 -14.907 1.338 3.021 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -12.543 2.219 4.428 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -12.441 0.563 3.863 1.00 0.00 H new ATOM 163 N ALA A 86 -11.384 2.436 2.083 1.00 0.00 N ATOM 164 CA ALA A 86 -10.967 2.937 0.783 1.00 0.00 C ATOM 165 C ALA A 86 -9.473 2.739 0.586 1.00 0.00 C ATOM 166 O ALA A 86 -8.679 2.996 1.493 1.00 0.00 O ATOM 167 CB ALA A 86 -11.322 4.410 0.637 1.00 0.00 C ATOM 0 H ALA A 86 -10.652 2.442 2.793 1.00 0.00 H new ATOM 0 HA ALA A 86 -11.498 2.372 0.017 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -11.002 4.766 -0.342 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -12.400 4.536 0.734 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -10.818 4.984 1.414 1.00 0.00 H new ATOM 173 N CYS A 87 -9.107 2.261 -0.592 1.00 0.00 N ATOM 174 CA CYS A 87 -7.712 2.110 -0.961 1.00 0.00 C ATOM 175 C CYS A 87 -7.051 3.475 -1.102 1.00 0.00 C ATOM 176 O CYS A 87 -7.681 4.443 -1.538 1.00 0.00 O ATOM 177 CB CYS A 87 -7.594 1.328 -2.270 1.00 0.00 C ATOM 178 SG CYS A 87 -5.913 1.287 -2.976 1.00 0.00 S ATOM 0 H CYS A 87 -9.765 1.969 -1.314 1.00 0.00 H new ATOM 0 HA CYS A 87 -7.201 1.556 -0.174 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -7.928 0.305 -2.099 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -8.272 1.766 -3.003 1.00 0.00 H new ATOM 0 HG CYS A 87 -5.690 0.118 -3.499 1.00 0.00 H new ATOM 183 N SER A 88 -5.783 3.547 -0.736 1.00 0.00 N ATOM 184 CA SER A 88 -5.027 4.784 -0.844 1.00 0.00 C ATOM 185 C SER A 88 -4.561 5.028 -2.279 1.00 0.00 C ATOM 186 O SER A 88 -3.891 6.021 -2.562 1.00 0.00 O ATOM 187 CB SER A 88 -3.829 4.750 0.100 1.00 0.00 C ATOM 188 OG SER A 88 -4.257 4.684 1.444 1.00 0.00 O ATOM 0 H SER A 88 -5.253 2.761 -0.360 1.00 0.00 H new ATOM 0 HA SER A 88 -5.684 5.606 -0.561 1.00 0.00 H new ATOM 0 HB2 SER A 88 -3.202 3.889 -0.130 1.00 0.00 H new ATOM 0 HB3 SER A 88 -3.216 5.639 -0.049 1.00 0.00 H new ATOM 0 HG SER A 88 -3.786 3.957 1.902 1.00 0.00 H new ATOM 194 N ALA A 89 -4.897 4.114 -3.177 1.00 0.00 N ATOM 195 CA ALA A 89 -4.572 4.280 -4.584 1.00 0.00 C ATOM 196 C ALA A 89 -5.820 4.170 -5.455 1.00 0.00 C ATOM 197 O ALA A 89 -6.139 5.088 -6.211 1.00 0.00 O ATOM 198 CB ALA A 89 -3.533 3.259 -5.013 1.00 0.00 C ATOM 0 H ALA A 89 -5.394 3.251 -2.956 1.00 0.00 H new ATOM 0 HA ALA A 89 -4.156 5.279 -4.717 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -3.301 3.397 -6.069 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -2.627 3.392 -4.422 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.924 2.254 -4.856 1.00 0.00 H new ATOM 204 N CYS A 90 -6.536 3.058 -5.330 1.00 0.00 N ATOM 205 CA CYS A 90 -7.731 2.820 -6.134 1.00 0.00 C ATOM 206 C CYS A 90 -8.911 3.633 -5.618 1.00 0.00 C ATOM 207 O CYS A 90 -9.834 3.951 -6.369 1.00 0.00 O ATOM 208 CB CYS A 90 -8.101 1.336 -6.127 1.00 0.00 C ATOM 209 SG CYS A 90 -6.713 0.216 -6.491 1.00 0.00 S ATOM 0 H CYS A 90 -6.310 2.306 -4.679 1.00 0.00 H new ATOM 0 HA CYS A 90 -7.505 3.132 -7.154 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -8.512 1.081 -5.150 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -8.891 1.167 -6.859 1.00 0.00 H new ATOM 0 HG CYS A 90 -6.699 -0.753 -5.625 1.00 0.00 H new ATOM 214 N GLY A 91 -8.881 3.945 -4.328 1.00 0.00 N ATOM 215 CA GLY A 91 -9.952 4.708 -3.723 1.00 0.00 C ATOM 216 C GLY A 91 -11.264 3.956 -3.725 1.00 0.00 C ATOM 217 O GLY A 91 -12.331 4.556 -3.848 1.00 0.00 O ATOM 0 H GLY A 91 -8.131 3.681 -3.690 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -9.682 4.960 -2.698 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -10.074 5.648 -4.261 1.00 0.00 H new ATOM 221 N GLN A 92 -11.186 2.640 -3.606 1.00 0.00 N ATOM 222 CA GLN A 92 -12.377 1.807 -3.591 1.00 0.00 C ATOM 223 C GLN A 92 -12.469 1.037 -2.283 1.00 0.00 C ATOM 224 O GLN A 92 -11.482 0.912 -1.558 1.00 0.00 O ATOM 225 CB GLN A 92 -12.382 0.841 -4.780 1.00 0.00 C ATOM 226 CG GLN A 92 -13.655 0.909 -5.611 1.00 0.00 C ATOM 227 CD GLN A 92 -14.886 0.439 -4.857 1.00 0.00 C ATOM 228 OE1 GLN A 92 -15.586 1.370 -4.225 1.00 0.00 O flip ATOM 229 NE2 GLN A 92 -15.200 -0.750 -4.832 1.00 0.00 N flip ATOM 0 H GLN A 92 -10.309 2.126 -3.518 1.00 0.00 H new ATOM 0 HA GLN A 92 -13.248 2.457 -3.676 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -11.527 1.060 -5.420 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -12.252 -0.177 -4.412 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -13.810 1.935 -5.943 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -13.530 0.300 -6.506 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -14.635 -1.437 -5.331 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -16.025 -1.049 -4.312 1.00 0.00 H new ATOM 238 N SER A 93 -13.658 0.532 -1.990 1.00 0.00 N ATOM 239 CA SER A 93 -13.910 -0.203 -0.765 1.00 0.00 C ATOM 240 C SER A 93 -13.391 -1.632 -0.869 1.00 0.00 C ATOM 241 O SER A 93 -12.991 -2.083 -1.944 1.00 0.00 O ATOM 242 CB SER A 93 -15.407 -0.195 -0.481 1.00 0.00 C ATOM 243 OG SER A 93 -16.034 0.837 -1.221 1.00 0.00 O ATOM 0 H SER A 93 -14.473 0.622 -2.596 1.00 0.00 H new ATOM 0 HA SER A 93 -13.380 0.279 0.057 1.00 0.00 H new ATOM 0 HB2 SER A 93 -15.841 -1.159 -0.746 1.00 0.00 H new ATOM 0 HB3 SER A 93 -15.583 -0.048 0.585 1.00 0.00 H new ATOM 0 HG SER A 93 -15.550 1.678 -1.084 1.00 0.00 H new ATOM 249 N ILE A 94 -13.402 -2.337 0.250 1.00 0.00 N ATOM 250 CA ILE A 94 -12.842 -3.675 0.307 1.00 0.00 C ATOM 251 C ILE A 94 -13.851 -4.669 0.885 1.00 0.00 C ATOM 252 O ILE A 94 -14.344 -4.494 2.001 1.00 0.00 O ATOM 253 CB ILE A 94 -11.537 -3.686 1.141 1.00 0.00 C ATOM 254 CG1 ILE A 94 -10.432 -2.929 0.402 1.00 0.00 C ATOM 255 CG2 ILE A 94 -11.086 -5.106 1.432 1.00 0.00 C ATOM 256 CD1 ILE A 94 -10.040 -1.624 1.064 1.00 0.00 C ATOM 0 H ILE A 94 -13.793 -2.004 1.131 1.00 0.00 H new ATOM 0 HA ILE A 94 -12.606 -3.983 -0.712 1.00 0.00 H new ATOM 0 HB ILE A 94 -11.739 -3.190 2.090 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -9.552 -3.568 0.329 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -10.762 -2.725 -0.616 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -10.168 -5.083 2.019 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -11.862 -5.627 1.993 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -10.904 -5.629 0.493 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -9.252 -1.144 0.484 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -10.907 -0.966 1.112 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -9.678 -1.822 2.073 1.00 0.00 H new ATOM 268 N PRO A 95 -14.217 -5.692 0.099 1.00 0.00 N ATOM 269 CA PRO A 95 -15.033 -6.807 0.578 1.00 0.00 C ATOM 270 C PRO A 95 -14.218 -7.743 1.467 1.00 0.00 C ATOM 271 O PRO A 95 -12.988 -7.669 1.490 1.00 0.00 O ATOM 272 CB PRO A 95 -15.463 -7.536 -0.704 1.00 0.00 C ATOM 273 CG PRO A 95 -15.043 -6.653 -1.836 1.00 0.00 C ATOM 274 CD PRO A 95 -13.891 -5.838 -1.325 1.00 0.00 C ATOM 0 HA PRO A 95 -15.876 -6.469 1.180 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -14.989 -8.515 -0.775 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -16.540 -7.702 -0.717 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -14.747 -7.245 -2.702 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -15.864 -6.010 -2.154 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -12.937 -6.344 -1.474 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -13.821 -4.873 -1.827 1.00 0.00 H new ATOM 282 N ALA A 96 -14.890 -8.645 2.168 1.00 0.00 N ATOM 283 CA ALA A 96 -14.211 -9.547 3.092 1.00 0.00 C ATOM 284 C ALA A 96 -13.392 -10.593 2.340 1.00 0.00 C ATOM 285 O ALA A 96 -12.570 -11.297 2.925 1.00 0.00 O ATOM 286 CB ALA A 96 -15.221 -10.224 4.006 1.00 0.00 C ATOM 0 H ALA A 96 -15.901 -8.773 2.116 1.00 0.00 H new ATOM 0 HA ALA A 96 -13.526 -8.955 3.699 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -14.701 -10.894 4.690 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -15.759 -9.468 4.578 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -15.929 -10.796 3.406 1.00 0.00 H new ATOM 292 N SER A 97 -13.620 -10.686 1.040 1.00 0.00 N ATOM 293 CA SER A 97 -12.931 -11.650 0.200 1.00 0.00 C ATOM 294 C SER A 97 -11.638 -11.063 -0.368 1.00 0.00 C ATOM 295 O SER A 97 -10.785 -11.790 -0.880 1.00 0.00 O ATOM 296 CB SER A 97 -13.860 -12.054 -0.939 1.00 0.00 C ATOM 297 OG SER A 97 -14.950 -11.145 -1.036 1.00 0.00 O ATOM 0 H SER A 97 -14.286 -10.097 0.539 1.00 0.00 H new ATOM 0 HA SER A 97 -12.666 -12.520 0.801 1.00 0.00 H new ATOM 0 HB2 SER A 97 -13.308 -12.071 -1.879 1.00 0.00 H new ATOM 0 HB3 SER A 97 -14.234 -13.064 -0.771 1.00 0.00 H new ATOM 0 HG SER A 97 -15.537 -11.416 -1.772 1.00 0.00 H new ATOM 303 N GLU A 98 -11.496 -9.748 -0.266 1.00 0.00 N ATOM 304 CA GLU A 98 -10.373 -9.056 -0.870 1.00 0.00 C ATOM 305 C GLU A 98 -9.246 -8.863 0.137 1.00 0.00 C ATOM 306 O GLU A 98 -9.320 -8.004 1.015 1.00 0.00 O ATOM 307 CB GLU A 98 -10.821 -7.702 -1.422 1.00 0.00 C ATOM 308 CG GLU A 98 -10.421 -7.467 -2.873 1.00 0.00 C ATOM 309 CD GLU A 98 -11.415 -8.038 -3.872 1.00 0.00 C ATOM 310 OE1 GLU A 98 -12.437 -8.626 -3.448 1.00 0.00 O ATOM 311 OE2 GLU A 98 -11.173 -7.904 -5.091 1.00 0.00 O ATOM 0 H GLU A 98 -12.148 -9.141 0.231 1.00 0.00 H new ATOM 0 HA GLU A 98 -9.998 -9.669 -1.690 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -11.905 -7.626 -1.337 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -10.396 -6.910 -0.805 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -10.319 -6.396 -3.045 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -9.442 -7.913 -3.049 1.00 0.00 H new ATOM 318 N LEU A 99 -8.214 -9.688 0.022 1.00 0.00 N ATOM 319 CA LEU A 99 -7.015 -9.528 0.835 1.00 0.00 C ATOM 320 C LEU A 99 -6.241 -8.304 0.365 1.00 0.00 C ATOM 321 O LEU A 99 -5.924 -8.173 -0.821 1.00 0.00 O ATOM 322 CB LEU A 99 -6.125 -10.771 0.749 1.00 0.00 C ATOM 323 CG LEU A 99 -6.651 -12.006 1.485 1.00 0.00 C ATOM 324 CD1 LEU A 99 -5.703 -13.178 1.290 1.00 0.00 C ATOM 325 CD2 LEU A 99 -6.842 -11.707 2.966 1.00 0.00 C ATOM 0 H LEU A 99 -8.183 -10.475 -0.626 1.00 0.00 H new ATOM 0 HA LEU A 99 -7.316 -9.395 1.874 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -5.987 -11.026 -0.302 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -5.142 -10.522 1.149 1.00 0.00 H new ATOM 0 HG LEU A 99 -7.621 -12.273 1.066 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -6.089 -14.050 1.818 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -5.619 -13.405 0.227 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -4.720 -12.920 1.684 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -7.216 -12.597 3.472 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -5.888 -11.415 3.404 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -7.559 -10.894 3.084 1.00 0.00 H new ATOM 337 N VAL A 100 -5.942 -7.412 1.290 1.00 0.00 N ATOM 338 CA VAL A 100 -5.308 -6.151 0.952 1.00 0.00 C ATOM 339 C VAL A 100 -3.990 -5.984 1.695 1.00 0.00 C ATOM 340 O VAL A 100 -3.822 -6.485 2.806 1.00 0.00 O ATOM 341 CB VAL A 100 -6.232 -4.958 1.274 1.00 0.00 C ATOM 342 CG1 VAL A 100 -7.397 -4.905 0.301 1.00 0.00 C ATOM 343 CG2 VAL A 100 -6.735 -5.027 2.707 1.00 0.00 C ATOM 0 H VAL A 100 -6.129 -7.538 2.285 1.00 0.00 H new ATOM 0 HA VAL A 100 -5.112 -6.167 -0.120 1.00 0.00 H new ATOM 0 HB VAL A 100 -5.649 -4.043 1.165 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -8.037 -4.057 0.545 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -7.018 -4.793 -0.715 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -7.974 -5.827 0.373 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -7.384 -4.174 2.906 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -7.295 -5.951 2.852 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -5.887 -5.006 3.392 1.00 0.00 H new ATOM 353 N MET A 101 -3.053 -5.287 1.078 1.00 0.00 N ATOM 354 CA MET A 101 -1.779 -5.005 1.716 1.00 0.00 C ATOM 355 C MET A 101 -1.898 -3.744 2.561 1.00 0.00 C ATOM 356 O MET A 101 -2.739 -2.894 2.292 1.00 0.00 O ATOM 357 CB MET A 101 -0.677 -4.847 0.664 1.00 0.00 C ATOM 358 CG MET A 101 0.401 -5.910 0.761 1.00 0.00 C ATOM 359 SD MET A 101 0.250 -7.173 -0.519 1.00 0.00 S ATOM 360 CE MET A 101 1.834 -7.022 -1.342 1.00 0.00 C ATOM 0 H MET A 101 -3.150 -4.906 0.137 1.00 0.00 H new ATOM 0 HA MET A 101 -1.512 -5.840 2.363 1.00 0.00 H new ATOM 0 HB2 MET A 101 -1.125 -4.883 -0.329 1.00 0.00 H new ATOM 0 HB3 MET A 101 -0.219 -3.864 0.772 1.00 0.00 H new ATOM 0 HG2 MET A 101 1.380 -5.437 0.685 1.00 0.00 H new ATOM 0 HG3 MET A 101 0.351 -6.384 1.741 1.00 0.00 H new ATOM 0 HE1 MET A 101 2.083 -7.966 -1.827 1.00 0.00 H new ATOM 0 HE2 MET A 101 1.781 -6.232 -2.091 1.00 0.00 H new ATOM 0 HE3 MET A 101 2.603 -6.777 -0.609 1.00 0.00 H new ATOM 370 N ARG A 102 -1.077 -3.624 3.588 1.00 0.00 N ATOM 371 CA ARG A 102 -1.150 -2.474 4.471 1.00 0.00 C ATOM 372 C ARG A 102 0.236 -1.910 4.734 1.00 0.00 C ATOM 373 O ARG A 102 1.234 -2.620 4.613 1.00 0.00 O ATOM 374 CB ARG A 102 -1.822 -2.859 5.792 1.00 0.00 C ATOM 375 CG ARG A 102 -1.407 -4.227 6.326 1.00 0.00 C ATOM 376 CD ARG A 102 -2.557 -4.910 7.051 1.00 0.00 C ATOM 377 NE ARG A 102 -2.283 -5.077 8.479 1.00 0.00 N ATOM 378 CZ ARG A 102 -3.221 -5.310 9.404 1.00 0.00 C ATOM 379 NH1 ARG A 102 -4.492 -5.463 9.048 1.00 0.00 N ATOM 380 NH2 ARG A 102 -2.885 -5.409 10.683 1.00 0.00 N ATOM 0 H ARG A 102 -0.356 -4.304 3.831 1.00 0.00 H new ATOM 0 HA ARG A 102 -1.749 -1.705 3.982 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -1.588 -2.102 6.541 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -2.903 -2.847 5.654 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -1.070 -4.855 5.501 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -0.562 -4.113 7.005 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -3.466 -4.323 6.923 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -2.741 -5.885 6.601 1.00 0.00 H new ATOM 0 HE ARG A 102 -1.314 -5.011 8.789 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -4.757 -5.403 8.065 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -5.203 -5.640 9.758 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -1.910 -5.307 10.963 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -3.602 -5.587 11.386 1.00 0.00 H new ATOM 394 N ALA A 103 0.290 -0.632 5.076 1.00 0.00 N ATOM 395 CA ALA A 103 1.546 0.009 5.424 1.00 0.00 C ATOM 396 C ALA A 103 1.444 0.640 6.808 1.00 0.00 C ATOM 397 O ALA A 103 1.283 -0.059 7.805 1.00 0.00 O ATOM 398 CB ALA A 103 1.928 1.046 4.374 1.00 0.00 C ATOM 0 H ALA A 103 -0.524 -0.018 5.120 1.00 0.00 H new ATOM 0 HA ALA A 103 2.333 -0.745 5.448 1.00 0.00 H new ATOM 0 HB1 ALA A 103 2.872 1.515 4.652 1.00 0.00 H new ATOM 0 HB2 ALA A 103 2.037 0.559 3.405 1.00 0.00 H new ATOM 0 HB3 ALA A 103 1.149 1.806 4.313 1.00 0.00 H new ATOM 404 N GLN A 104 1.500 1.962 6.862 1.00 0.00 N ATOM 405 CA GLN A 104 1.448 2.675 8.128 1.00 0.00 C ATOM 406 C GLN A 104 0.018 3.060 8.469 1.00 0.00 C ATOM 407 O GLN A 104 -0.381 4.215 8.325 1.00 0.00 O ATOM 408 CB GLN A 104 2.331 3.918 8.076 1.00 0.00 C ATOM 409 CG GLN A 104 3.772 3.636 8.452 1.00 0.00 C ATOM 410 CD GLN A 104 3.994 3.601 9.948 1.00 0.00 C ATOM 411 OE1 GLN A 104 3.376 2.815 10.666 1.00 0.00 O ATOM 412 NE2 GLN A 104 4.888 4.448 10.422 1.00 0.00 N ATOM 0 H GLN A 104 1.582 2.563 6.042 1.00 0.00 H new ATOM 0 HA GLN A 104 1.822 2.012 8.908 1.00 0.00 H new ATOM 0 HB2 GLN A 104 2.299 4.338 7.071 1.00 0.00 H new ATOM 0 HB3 GLN A 104 1.926 4.673 8.750 1.00 0.00 H new ATOM 0 HG2 GLN A 104 4.074 2.681 8.023 1.00 0.00 H new ATOM 0 HG3 GLN A 104 4.413 4.400 8.012 1.00 0.00 H new ATOM 0 HE21 GLN A 104 5.376 5.082 9.789 1.00 0.00 H new ATOM 0 HE22 GLN A 104 5.091 4.469 11.421 1.00 0.00 H new ATOM 421 N GLY A 105 -0.754 2.080 8.902 1.00 0.00 N ATOM 422 CA GLY A 105 -2.127 2.335 9.287 1.00 0.00 C ATOM 423 C GLY A 105 -3.087 2.261 8.117 1.00 0.00 C ATOM 424 O GLY A 105 -4.198 1.750 8.252 1.00 0.00 O ATOM 0 H GLY A 105 -0.456 1.109 8.995 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -2.428 1.611 10.045 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -2.194 3.322 9.745 1.00 0.00 H new ATOM 428 N ASN A 106 -2.657 2.769 6.972 1.00 0.00 N ATOM 429 CA ASN A 106 -3.494 2.796 5.778 1.00 0.00 C ATOM 430 C ASN A 106 -3.311 1.523 4.955 1.00 0.00 C ATOM 431 O ASN A 106 -2.368 0.756 5.181 1.00 0.00 O ATOM 432 CB ASN A 106 -3.173 4.026 4.933 1.00 0.00 C ATOM 433 CG ASN A 106 -4.424 4.709 4.421 1.00 0.00 C ATOM 434 OD1 ASN A 106 -5.400 4.051 4.057 1.00 0.00 O ATOM 435 ND2 ASN A 106 -4.408 6.032 4.392 1.00 0.00 N ATOM 0 H ASN A 106 -1.728 3.171 6.842 1.00 0.00 H new ATOM 0 HA ASN A 106 -4.536 2.850 6.094 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -2.593 4.732 5.527 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -2.550 3.732 4.088 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -5.225 6.545 4.059 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -3.579 6.539 4.703 1.00 0.00 H new ATOM 442 N VAL A 107 -4.203 1.308 3.991 1.00 0.00 N ATOM 443 CA VAL A 107 -4.216 0.062 3.226 1.00 0.00 C ATOM 444 C VAL A 107 -4.106 0.297 1.718 1.00 0.00 C ATOM 445 O VAL A 107 -4.354 1.401 1.219 1.00 0.00 O ATOM 446 CB VAL A 107 -5.502 -0.755 3.486 1.00 0.00 C ATOM 447 CG1 VAL A 107 -5.407 -1.520 4.798 1.00 0.00 C ATOM 448 CG2 VAL A 107 -6.730 0.146 3.473 1.00 0.00 C ATOM 0 H VAL A 107 -4.924 1.977 3.721 1.00 0.00 H new ATOM 0 HA VAL A 107 -3.342 -0.493 3.568 1.00 0.00 H new ATOM 0 HB VAL A 107 -5.606 -1.481 2.680 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -6.325 -2.086 4.956 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -4.560 -2.205 4.759 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -5.268 -0.817 5.620 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -7.622 -0.452 3.658 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -6.633 0.904 4.250 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -6.814 0.632 2.501 1.00 0.00 H new ATOM 458 N TYR A 108 -3.719 -0.765 1.018 1.00 0.00 N ATOM 459 CA TYR A 108 -3.672 -0.810 -0.438 1.00 0.00 C ATOM 460 C TYR A 108 -4.187 -2.176 -0.884 1.00 0.00 C ATOM 461 O TYR A 108 -4.691 -2.941 -0.069 1.00 0.00 O ATOM 462 CB TYR A 108 -2.238 -0.628 -0.959 1.00 0.00 C ATOM 463 CG TYR A 108 -1.540 0.638 -0.508 1.00 0.00 C ATOM 464 CD1 TYR A 108 -0.797 0.662 0.668 1.00 0.00 C ATOM 465 CD2 TYR A 108 -1.605 1.805 -1.266 1.00 0.00 C ATOM 466 CE1 TYR A 108 -0.143 1.806 1.076 1.00 0.00 C ATOM 467 CE2 TYR A 108 -0.947 2.952 -0.861 1.00 0.00 C ATOM 468 CZ TYR A 108 -0.220 2.947 0.310 1.00 0.00 C ATOM 469 OH TYR A 108 0.438 4.086 0.712 1.00 0.00 O ATOM 0 H TYR A 108 -3.423 -1.637 1.458 1.00 0.00 H new ATOM 0 HA TYR A 108 -4.284 -0.001 -0.837 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -1.643 -1.484 -0.642 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -2.261 -0.642 -2.049 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -0.731 -0.231 1.272 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -2.177 1.814 -2.182 1.00 0.00 H new ATOM 0 HE1 TYR A 108 0.427 1.806 1.993 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -1.003 3.849 -1.460 1.00 0.00 H new ATOM 0 HH TYR A 108 0.283 4.801 0.060 1.00 0.00 H new ATOM 479 N HIS A 109 -4.039 -2.488 -2.158 1.00 0.00 N ATOM 480 CA HIS A 109 -4.367 -3.816 -2.666 1.00 0.00 C ATOM 481 C HIS A 109 -3.074 -4.508 -3.097 1.00 0.00 C ATOM 482 O HIS A 109 -1.997 -4.177 -2.603 1.00 0.00 O ATOM 483 CB HIS A 109 -5.343 -3.742 -3.856 1.00 0.00 C ATOM 484 CG HIS A 109 -6.707 -3.204 -3.527 1.00 0.00 C ATOM 485 ND1 HIS A 109 -7.047 -1.892 -3.752 1.00 0.00 N ATOM 486 CD2 HIS A 109 -7.789 -3.850 -3.026 1.00 0.00 C ATOM 487 CE1 HIS A 109 -8.311 -1.765 -3.394 1.00 0.00 C ATOM 488 NE2 HIS A 109 -8.807 -2.928 -2.944 1.00 0.00 N ATOM 0 H HIS A 109 -3.693 -1.840 -2.866 1.00 0.00 H new ATOM 0 HA HIS A 109 -4.857 -4.383 -1.874 1.00 0.00 H new ATOM 0 HB2 HIS A 109 -4.900 -3.117 -4.631 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -5.455 -4.741 -4.277 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -7.842 -4.891 -2.745 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -8.873 -0.845 -3.455 1.00 0.00 H new ATOM 0 HE2 HIS A 109 -9.755 -3.096 -2.607 1.00 0.00 H new ATOM 496 N LEU A 110 -3.182 -5.458 -4.018 1.00 0.00 N ATOM 497 CA LEU A 110 -2.010 -6.164 -4.537 1.00 0.00 C ATOM 498 C LEU A 110 -1.355 -5.373 -5.671 1.00 0.00 C ATOM 499 O LEU A 110 -0.157 -5.509 -5.935 1.00 0.00 O ATOM 500 CB LEU A 110 -2.411 -7.558 -5.041 1.00 0.00 C ATOM 501 CG LEU A 110 -1.985 -8.734 -4.153 1.00 0.00 C ATOM 502 CD1 LEU A 110 -0.475 -8.752 -3.975 1.00 0.00 C ATOM 503 CD2 LEU A 110 -2.682 -8.665 -2.800 1.00 0.00 C ATOM 0 H LEU A 110 -4.068 -5.760 -4.423 1.00 0.00 H new ATOM 0 HA LEU A 110 -1.290 -6.268 -3.725 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -3.495 -7.586 -5.154 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -1.984 -7.702 -6.033 1.00 0.00 H new ATOM 0 HG LEU A 110 -2.283 -9.659 -4.646 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -0.193 -9.593 -3.342 1.00 0.00 H new ATOM 0 HD12 LEU A 110 0.005 -8.853 -4.948 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -0.153 -7.822 -3.507 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -2.367 -9.508 -2.185 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -2.417 -7.733 -2.301 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -3.762 -8.705 -2.944 1.00 0.00 H new ATOM 515 N LYS A 111 -2.153 -4.544 -6.335 1.00 0.00 N ATOM 516 CA LYS A 111 -1.702 -3.799 -7.510 1.00 0.00 C ATOM 517 C LYS A 111 -1.116 -2.437 -7.137 1.00 0.00 C ATOM 518 O LYS A 111 -0.196 -1.942 -7.786 1.00 0.00 O ATOM 519 CB LYS A 111 -2.873 -3.613 -8.488 1.00 0.00 C ATOM 520 CG LYS A 111 -4.147 -3.075 -7.838 1.00 0.00 C ATOM 521 CD LYS A 111 -5.337 -3.985 -8.089 1.00 0.00 C ATOM 522 CE LYS A 111 -6.537 -3.207 -8.608 1.00 0.00 C ATOM 523 NZ LYS A 111 -7.209 -3.918 -9.724 1.00 0.00 N ATOM 0 H LYS A 111 -3.124 -4.369 -6.078 1.00 0.00 H new ATOM 0 HA LYS A 111 -0.910 -4.378 -7.984 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -2.566 -2.931 -9.281 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -3.095 -4.570 -8.960 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -3.990 -2.969 -6.764 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -4.362 -2.080 -8.228 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -5.062 -4.754 -8.810 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -5.606 -4.496 -7.165 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -7.247 -3.049 -7.796 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -6.214 -2.222 -8.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -8.022 -3.359 -10.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -6.538 -4.047 -10.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -7.539 -4.848 -9.395 1.00 0.00 H new ATOM 537 N CYS A 112 -1.661 -1.849 -6.085 1.00 0.00 N ATOM 538 CA CYS A 112 -1.348 -0.489 -5.684 1.00 0.00 C ATOM 539 C CYS A 112 -0.093 -0.432 -4.818 1.00 0.00 C ATOM 540 O CYS A 112 0.496 0.637 -4.629 1.00 0.00 O ATOM 541 CB CYS A 112 -2.559 0.014 -4.921 1.00 0.00 C ATOM 542 SG CYS A 112 -3.776 -1.315 -4.714 1.00 0.00 S ATOM 0 H CYS A 112 -2.341 -2.308 -5.479 1.00 0.00 H new ATOM 0 HA CYS A 112 -1.138 0.133 -6.554 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -2.251 0.389 -3.945 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -3.011 0.850 -5.455 1.00 0.00 H new ATOM 0 HG CYS A 112 -4.819 -1.067 -5.449 1.00 0.00 H new ATOM 547 N PHE A 113 0.307 -1.588 -4.293 1.00 0.00 N ATOM 548 CA PHE A 113 1.500 -1.690 -3.457 1.00 0.00 C ATOM 549 C PHE A 113 2.765 -1.690 -4.320 1.00 0.00 C ATOM 550 O PHE A 113 3.507 -2.677 -4.377 1.00 0.00 O ATOM 551 CB PHE A 113 1.444 -2.952 -2.588 1.00 0.00 C ATOM 552 CG PHE A 113 2.056 -2.774 -1.221 1.00 0.00 C ATOM 553 CD1 PHE A 113 1.880 -1.595 -0.510 1.00 0.00 C ATOM 554 CD2 PHE A 113 2.805 -3.791 -0.642 1.00 0.00 C ATOM 555 CE1 PHE A 113 2.438 -1.432 0.746 1.00 0.00 C ATOM 556 CE2 PHE A 113 3.366 -3.631 0.612 1.00 0.00 C ATOM 557 CZ PHE A 113 3.181 -2.452 1.306 1.00 0.00 C ATOM 0 H PHE A 113 -0.182 -2.472 -4.433 1.00 0.00 H new ATOM 0 HA PHE A 113 1.532 -0.821 -2.800 1.00 0.00 H new ATOM 0 HB2 PHE A 113 0.404 -3.258 -2.474 1.00 0.00 H new ATOM 0 HB3 PHE A 113 1.960 -3.761 -3.105 1.00 0.00 H new ATOM 0 HD1 PHE A 113 1.300 -0.794 -0.943 1.00 0.00 H new ATOM 0 HD2 PHE A 113 2.951 -4.717 -1.178 1.00 0.00 H new ATOM 0 HE1 PHE A 113 2.292 -0.509 1.287 1.00 0.00 H new ATOM 0 HE2 PHE A 113 3.949 -4.429 1.048 1.00 0.00 H new ATOM 0 HZ PHE A 113 3.617 -2.328 2.286 1.00 0.00 H new ATOM 567 N THR A 114 2.998 -0.573 -4.988 1.00 0.00 N ATOM 568 CA THR A 114 4.133 -0.429 -5.878 1.00 0.00 C ATOM 569 C THR A 114 5.019 0.728 -5.444 1.00 0.00 C ATOM 570 O THR A 114 4.612 1.569 -4.640 1.00 0.00 O ATOM 571 CB THR A 114 3.667 -0.171 -7.322 1.00 0.00 C ATOM 572 OG1 THR A 114 2.623 0.811 -7.324 1.00 0.00 O ATOM 573 CG2 THR A 114 3.161 -1.449 -7.972 1.00 0.00 C ATOM 0 H THR A 114 2.407 0.256 -4.928 1.00 0.00 H new ATOM 0 HA THR A 114 4.698 -1.360 -5.834 1.00 0.00 H new ATOM 0 HB THR A 114 4.520 0.192 -7.895 1.00 0.00 H new ATOM 0 HG1 THR A 114 1.773 0.385 -7.562 1.00 0.00 H new ATOM 0 HG21 THR A 114 2.839 -1.236 -8.991 1.00 0.00 H new ATOM 0 HG22 THR A 114 3.961 -2.189 -7.992 1.00 0.00 H new ATOM 0 HG23 THR A 114 2.320 -1.840 -7.400 1.00 0.00 H new ATOM 581 N CYS A 115 6.228 0.756 -5.976 1.00 0.00 N ATOM 582 CA CYS A 115 7.129 1.874 -5.778 1.00 0.00 C ATOM 583 C CYS A 115 6.504 3.160 -6.325 1.00 0.00 C ATOM 584 O CYS A 115 5.679 3.125 -7.239 1.00 0.00 O ATOM 585 CB CYS A 115 8.465 1.597 -6.474 1.00 0.00 C ATOM 586 SG CYS A 115 9.644 2.980 -6.403 1.00 0.00 S ATOM 0 H CYS A 115 6.610 0.008 -6.554 1.00 0.00 H new ATOM 0 HA CYS A 115 7.307 2.000 -4.710 1.00 0.00 H new ATOM 0 HB2 CYS A 115 8.924 0.719 -6.019 1.00 0.00 H new ATOM 0 HB3 CYS A 115 8.274 1.351 -7.518 1.00 0.00 H new ATOM 0 HG CYS A 115 10.827 2.527 -6.109 1.00 0.00 H new ATOM 591 N SER A 116 6.892 4.287 -5.762 1.00 0.00 N ATOM 592 CA SER A 116 6.390 5.573 -6.215 1.00 0.00 C ATOM 593 C SER A 116 7.381 6.234 -7.167 1.00 0.00 C ATOM 594 O SER A 116 7.039 7.177 -7.876 1.00 0.00 O ATOM 595 CB SER A 116 6.101 6.481 -5.019 1.00 0.00 C ATOM 596 OG SER A 116 5.750 5.718 -3.874 1.00 0.00 O ATOM 0 H SER A 116 7.555 4.340 -4.988 1.00 0.00 H new ATOM 0 HA SER A 116 5.459 5.409 -6.757 1.00 0.00 H new ATOM 0 HB2 SER A 116 6.978 7.090 -4.800 1.00 0.00 H new ATOM 0 HB3 SER A 116 5.291 7.167 -5.266 1.00 0.00 H new ATOM 0 HG SER A 116 6.530 5.209 -3.569 1.00 0.00 H new ATOM 602 N THR A 117 8.607 5.725 -7.188 1.00 0.00 N ATOM 603 CA THR A 117 9.638 6.267 -8.059 1.00 0.00 C ATOM 604 C THR A 117 9.723 5.465 -9.353 1.00 0.00 C ATOM 605 O THR A 117 9.670 6.028 -10.446 1.00 0.00 O ATOM 606 CB THR A 117 11.019 6.269 -7.373 1.00 0.00 C ATOM 607 OG1 THR A 117 10.869 6.444 -5.957 1.00 0.00 O ATOM 608 CG2 THR A 117 11.902 7.374 -7.933 1.00 0.00 C ATOM 0 H THR A 117 8.909 4.939 -6.612 1.00 0.00 H new ATOM 0 HA THR A 117 9.360 7.297 -8.283 1.00 0.00 H new ATOM 0 HB THR A 117 11.495 5.308 -7.570 1.00 0.00 H new ATOM 0 HG1 THR A 117 11.642 6.057 -5.496 1.00 0.00 H new ATOM 0 HG21 THR A 117 12.870 7.354 -7.433 1.00 0.00 H new ATOM 0 HG22 THR A 117 12.043 7.220 -9.003 1.00 0.00 H new ATOM 0 HG23 THR A 117 11.426 8.340 -7.765 1.00 0.00 H new ATOM 616 N CYS A 118 9.827 4.147 -9.227 1.00 0.00 N ATOM 617 CA CYS A 118 9.951 3.282 -10.393 1.00 0.00 C ATOM 618 C CYS A 118 8.654 2.514 -10.652 1.00 0.00 C ATOM 619 O CYS A 118 8.488 1.898 -11.705 1.00 0.00 O ATOM 620 CB CYS A 118 11.121 2.310 -10.208 1.00 0.00 C ATOM 621 SG CYS A 118 12.387 2.880 -9.023 1.00 0.00 S ATOM 0 H CYS A 118 9.828 3.656 -8.333 1.00 0.00 H new ATOM 0 HA CYS A 118 10.147 3.910 -11.262 1.00 0.00 H new ATOM 0 HB2 CYS A 118 10.731 1.349 -9.872 1.00 0.00 H new ATOM 0 HB3 CYS A 118 11.595 2.141 -11.175 1.00 0.00 H new ATOM 0 HG CYS A 118 11.839 3.067 -7.859 1.00 0.00 H new ATOM 626 N ARG A 119 7.741 2.566 -9.683 1.00 0.00 N ATOM 627 CA ARG A 119 6.466 1.848 -9.765 1.00 0.00 C ATOM 628 C ARG A 119 6.702 0.345 -9.854 1.00 0.00 C ATOM 629 O ARG A 119 5.984 -0.373 -10.551 1.00 0.00 O ATOM 630 CB ARG A 119 5.622 2.331 -10.953 1.00 0.00 C ATOM 631 CG ARG A 119 4.178 2.643 -10.589 1.00 0.00 C ATOM 632 CD ARG A 119 3.276 1.436 -10.789 1.00 0.00 C ATOM 633 NE ARG A 119 2.082 1.504 -9.950 1.00 0.00 N ATOM 634 CZ ARG A 119 0.845 1.271 -10.387 1.00 0.00 C ATOM 635 NH1 ARG A 119 0.643 0.826 -11.623 1.00 0.00 N ATOM 636 NH2 ARG A 119 -0.183 1.444 -9.568 1.00 0.00 N ATOM 0 H ARG A 119 7.861 3.103 -8.824 1.00 0.00 H new ATOM 0 HA ARG A 119 5.908 2.061 -8.853 1.00 0.00 H new ATOM 0 HB2 ARG A 119 6.082 3.224 -11.375 1.00 0.00 H new ATOM 0 HB3 ARG A 119 5.635 1.568 -11.731 1.00 0.00 H new ATOM 0 HG2 ARG A 119 4.126 2.968 -9.550 1.00 0.00 H new ATOM 0 HG3 ARG A 119 3.819 3.471 -11.200 1.00 0.00 H new ATOM 0 HD2 ARG A 119 2.981 1.373 -11.836 1.00 0.00 H new ATOM 0 HD3 ARG A 119 3.830 0.526 -10.559 1.00 0.00 H new ATOM 0 HE ARG A 119 2.203 1.745 -8.966 1.00 0.00 H new ATOM 0 HH11 ARG A 119 1.437 0.661 -12.242 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -0.306 0.649 -11.953 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -0.025 1.754 -8.609 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -1.132 1.267 -9.897 1.00 0.00 H new ATOM 650 N ASN A 120 7.722 -0.119 -9.148 1.00 0.00 N ATOM 651 CA ASN A 120 8.023 -1.538 -9.081 1.00 0.00 C ATOM 652 C ASN A 120 7.097 -2.197 -8.065 1.00 0.00 C ATOM 653 O ASN A 120 6.934 -1.699 -6.951 1.00 0.00 O ATOM 654 CB ASN A 120 9.499 -1.740 -8.704 1.00 0.00 C ATOM 655 CG ASN A 120 9.767 -3.053 -7.992 1.00 0.00 C ATOM 656 OD1 ASN A 120 10.390 -2.975 -6.824 1.00 0.00 O flip ATOM 657 ND2 ASN A 120 9.435 -4.128 -8.492 1.00 0.00 N flip ATOM 0 H ASN A 120 8.357 0.471 -8.611 1.00 0.00 H new ATOM 0 HA ASN A 120 7.859 -2.002 -10.053 1.00 0.00 H new ATOM 0 HB2 ASN A 120 10.106 -1.695 -9.608 1.00 0.00 H new ATOM 0 HB3 ASN A 120 9.818 -0.917 -8.065 1.00 0.00 H new ATOM 0 HD21 ASN A 120 8.957 -4.145 -9.393 1.00 0.00 H new ATOM 0 HD22 ASN A 120 9.638 -5.001 -8.005 1.00 0.00 H new ATOM 664 N ARG A 121 6.464 -3.290 -8.456 1.00 0.00 N ATOM 665 CA ARG A 121 5.517 -3.967 -7.585 1.00 0.00 C ATOM 666 C ARG A 121 6.249 -4.762 -6.513 1.00 0.00 C ATOM 667 O ARG A 121 6.999 -5.690 -6.816 1.00 0.00 O ATOM 668 CB ARG A 121 4.606 -4.881 -8.398 1.00 0.00 C ATOM 669 CG ARG A 121 3.287 -5.195 -7.707 1.00 0.00 C ATOM 670 CD ARG A 121 2.692 -6.504 -8.199 1.00 0.00 C ATOM 671 NE ARG A 121 3.703 -7.396 -8.769 1.00 0.00 N ATOM 672 CZ ARG A 121 4.288 -8.389 -8.101 1.00 0.00 C ATOM 673 NH1 ARG A 121 3.980 -8.612 -6.824 1.00 0.00 N ATOM 674 NH2 ARG A 121 5.188 -9.149 -8.717 1.00 0.00 N ATOM 0 H ARG A 121 6.588 -3.727 -9.369 1.00 0.00 H new ATOM 0 HA ARG A 121 4.902 -3.213 -7.093 1.00 0.00 H new ATOM 0 HB2 ARG A 121 4.400 -4.413 -9.360 1.00 0.00 H new ATOM 0 HB3 ARG A 121 5.131 -5.814 -8.603 1.00 0.00 H new ATOM 0 HG2 ARG A 121 3.444 -5.249 -6.630 1.00 0.00 H new ATOM 0 HG3 ARG A 121 2.581 -4.384 -7.886 1.00 0.00 H new ATOM 0 HD2 ARG A 121 2.193 -7.007 -7.371 1.00 0.00 H new ATOM 0 HD3 ARG A 121 1.931 -6.294 -8.950 1.00 0.00 H new ATOM 0 HE ARG A 121 3.977 -7.248 -9.740 1.00 0.00 H new ATOM 0 HH11 ARG A 121 3.294 -8.021 -6.354 1.00 0.00 H new ATOM 0 HH12 ARG A 121 4.430 -9.373 -6.316 1.00 0.00 H new ATOM 0 HH21 ARG A 121 5.425 -8.969 -9.693 1.00 0.00 H new ATOM 0 HH22 ARG A 121 5.641 -9.912 -8.214 1.00 0.00 H new ATOM 688 N LEU A 122 6.022 -4.390 -5.260 1.00 0.00 N ATOM 689 CA LEU A 122 6.686 -5.026 -4.132 1.00 0.00 C ATOM 690 C LEU A 122 6.239 -6.479 -3.990 1.00 0.00 C ATOM 691 O LEU A 122 5.111 -6.834 -4.345 1.00 0.00 O ATOM 692 CB LEU A 122 6.403 -4.242 -2.846 1.00 0.00 C ATOM 693 CG LEU A 122 6.520 -2.719 -2.988 1.00 0.00 C ATOM 694 CD1 LEU A 122 5.817 -2.011 -1.841 1.00 0.00 C ATOM 695 CD2 LEU A 122 7.980 -2.301 -3.070 1.00 0.00 C ATOM 0 H LEU A 122 5.377 -3.644 -4.999 1.00 0.00 H new ATOM 0 HA LEU A 122 7.761 -5.023 -4.313 1.00 0.00 H new ATOM 0 HB2 LEU A 122 5.398 -4.485 -2.501 1.00 0.00 H new ATOM 0 HB3 LEU A 122 7.095 -4.576 -2.073 1.00 0.00 H new ATOM 0 HG LEU A 122 6.028 -2.424 -3.915 1.00 0.00 H new ATOM 0 HD11 LEU A 122 5.914 -0.932 -1.965 1.00 0.00 H new ATOM 0 HD12 LEU A 122 4.761 -2.282 -1.838 1.00 0.00 H new ATOM 0 HD13 LEU A 122 6.271 -2.310 -0.896 1.00 0.00 H new ATOM 0 HD21 LEU A 122 8.043 -1.217 -3.170 1.00 0.00 H new ATOM 0 HD22 LEU A 122 8.499 -2.612 -2.163 1.00 0.00 H new ATOM 0 HD23 LEU A 122 8.446 -2.773 -3.935 1.00 0.00 H new ATOM 707 N VAL A 123 7.122 -7.315 -3.460 1.00 0.00 N ATOM 708 CA VAL A 123 6.899 -8.751 -3.434 1.00 0.00 C ATOM 709 C VAL A 123 7.175 -9.298 -2.038 1.00 0.00 C ATOM 710 O VAL A 123 8.095 -8.836 -1.368 1.00 0.00 O ATOM 711 CB VAL A 123 7.820 -9.454 -4.470 1.00 0.00 C ATOM 712 CG1 VAL A 123 7.985 -10.939 -4.179 1.00 0.00 C ATOM 713 CG2 VAL A 123 7.297 -9.247 -5.881 1.00 0.00 C ATOM 0 H VAL A 123 8.004 -7.019 -3.041 1.00 0.00 H new ATOM 0 HA VAL A 123 5.859 -8.949 -3.693 1.00 0.00 H new ATOM 0 HB VAL A 123 8.805 -8.994 -4.385 1.00 0.00 H new ATOM 0 HG11 VAL A 123 8.637 -11.387 -4.929 1.00 0.00 H new ATOM 0 HG12 VAL A 123 8.426 -11.069 -3.191 1.00 0.00 H new ATOM 0 HG13 VAL A 123 7.010 -11.426 -4.208 1.00 0.00 H new ATOM 0 HG21 VAL A 123 7.956 -9.747 -6.590 1.00 0.00 H new ATOM 0 HG22 VAL A 123 6.293 -9.664 -5.962 1.00 0.00 H new ATOM 0 HG23 VAL A 123 7.266 -8.181 -6.105 1.00 0.00 H new ATOM 723 N PRO A 124 6.363 -10.260 -1.562 1.00 0.00 N ATOM 724 CA PRO A 124 6.633 -10.964 -0.305 1.00 0.00 C ATOM 725 C PRO A 124 8.014 -11.615 -0.326 1.00 0.00 C ATOM 726 O PRO A 124 8.251 -12.570 -1.065 1.00 0.00 O ATOM 727 CB PRO A 124 5.530 -12.031 -0.235 1.00 0.00 C ATOM 728 CG PRO A 124 4.937 -12.091 -1.603 1.00 0.00 C ATOM 729 CD PRO A 124 5.126 -10.729 -2.199 1.00 0.00 C ATOM 0 HA PRO A 124 6.631 -10.296 0.556 1.00 0.00 H new ATOM 0 HB2 PRO A 124 5.939 -12.998 0.057 1.00 0.00 H new ATOM 0 HB3 PRO A 124 4.776 -11.767 0.507 1.00 0.00 H new ATOM 0 HG2 PRO A 124 5.429 -12.853 -2.208 1.00 0.00 H new ATOM 0 HG3 PRO A 124 3.880 -12.353 -1.558 1.00 0.00 H new ATOM 0 HD2 PRO A 124 5.222 -10.773 -3.284 1.00 0.00 H new ATOM 0 HD3 PRO A 124 4.285 -10.072 -1.980 1.00 0.00 H new ATOM 737 N GLY A 125 8.919 -11.088 0.483 1.00 0.00 N ATOM 738 CA GLY A 125 10.293 -11.544 0.468 1.00 0.00 C ATOM 739 C GLY A 125 11.229 -10.439 0.037 1.00 0.00 C ATOM 740 O GLY A 125 12.430 -10.486 0.303 1.00 0.00 O ATOM 0 H GLY A 125 8.724 -10.346 1.155 1.00 0.00 H new ATOM 0 HA2 GLY A 125 10.573 -11.896 1.461 1.00 0.00 H new ATOM 0 HA3 GLY A 125 10.390 -12.392 -0.210 1.00 0.00 H new ATOM 744 N ASP A 126 10.666 -9.433 -0.621 1.00 0.00 N ATOM 745 CA ASP A 126 11.429 -8.273 -1.057 1.00 0.00 C ATOM 746 C ASP A 126 11.197 -7.117 -0.096 1.00 0.00 C ATOM 747 O ASP A 126 10.278 -7.164 0.728 1.00 0.00 O ATOM 748 CB ASP A 126 11.033 -7.860 -2.477 1.00 0.00 C ATOM 749 CG ASP A 126 12.217 -7.388 -3.295 1.00 0.00 C ATOM 750 OD1 ASP A 126 13.092 -6.692 -2.738 1.00 0.00 O ATOM 751 OD2 ASP A 126 12.278 -7.718 -4.500 1.00 0.00 O ATOM 0 H ASP A 126 9.676 -9.399 -0.865 1.00 0.00 H new ATOM 0 HA ASP A 126 12.487 -8.536 -1.061 1.00 0.00 H new ATOM 0 HB2 ASP A 126 10.562 -8.705 -2.980 1.00 0.00 H new ATOM 0 HB3 ASP A 126 10.290 -7.064 -2.427 1.00 0.00 H new ATOM 756 N ARG A 127 12.013 -6.079 -0.209 1.00 0.00 N ATOM 757 CA ARG A 127 11.981 -4.973 0.742 1.00 0.00 C ATOM 758 C ARG A 127 11.347 -3.723 0.136 1.00 0.00 C ATOM 759 O ARG A 127 11.488 -3.455 -1.057 1.00 0.00 O ATOM 760 CB ARG A 127 13.396 -4.643 1.231 1.00 0.00 C ATOM 761 CG ARG A 127 14.283 -5.864 1.423 1.00 0.00 C ATOM 762 CD ARG A 127 15.709 -5.474 1.780 1.00 0.00 C ATOM 763 NE ARG A 127 16.620 -5.622 0.640 1.00 0.00 N ATOM 764 CZ ARG A 127 17.199 -6.767 0.278 1.00 0.00 C ATOM 765 NH1 ARG A 127 16.958 -7.882 0.954 1.00 0.00 N ATOM 766 NH2 ARG A 127 18.014 -6.792 -0.772 1.00 0.00 N ATOM 0 H ARG A 127 12.707 -5.978 -0.950 1.00 0.00 H new ATOM 0 HA ARG A 127 11.369 -5.292 1.586 1.00 0.00 H new ATOM 0 HB2 ARG A 127 13.870 -3.971 0.515 1.00 0.00 H new ATOM 0 HB3 ARG A 127 13.327 -4.104 2.176 1.00 0.00 H new ATOM 0 HG2 ARG A 127 13.870 -6.493 2.211 1.00 0.00 H new ATOM 0 HG3 ARG A 127 14.286 -6.458 0.509 1.00 0.00 H new ATOM 0 HD2 ARG A 127 15.726 -4.441 2.126 1.00 0.00 H new ATOM 0 HD3 ARG A 127 16.058 -6.093 2.606 1.00 0.00 H new ATOM 0 HE ARG A 127 16.825 -4.791 0.085 1.00 0.00 H new ATOM 0 HH11 ARG A 127 16.327 -7.866 1.755 1.00 0.00 H new ATOM 0 HH12 ARG A 127 17.404 -8.755 0.673 1.00 0.00 H new ATOM 0 HH21 ARG A 127 18.195 -5.937 -1.298 1.00 0.00 H new ATOM 0 HH22 ARG A 127 18.459 -7.666 -1.052 1.00 0.00 H new ATOM 780 N PHE A 128 10.648 -2.970 0.970 1.00 0.00 N ATOM 781 CA PHE A 128 10.085 -1.695 0.567 1.00 0.00 C ATOM 782 C PHE A 128 10.474 -0.616 1.572 1.00 0.00 C ATOM 783 O PHE A 128 10.659 -0.895 2.759 1.00 0.00 O ATOM 784 CB PHE A 128 8.556 -1.791 0.419 1.00 0.00 C ATOM 785 CG PHE A 128 7.779 -1.663 1.706 1.00 0.00 C ATOM 786 CD1 PHE A 128 7.486 -2.781 2.467 1.00 0.00 C ATOM 787 CD2 PHE A 128 7.332 -0.428 2.143 1.00 0.00 C ATOM 788 CE1 PHE A 128 6.764 -2.673 3.639 1.00 0.00 C ATOM 789 CE2 PHE A 128 6.612 -0.310 3.316 1.00 0.00 C ATOM 790 CZ PHE A 128 6.325 -1.436 4.064 1.00 0.00 C ATOM 0 H PHE A 128 10.457 -3.225 1.939 1.00 0.00 H new ATOM 0 HA PHE A 128 10.491 -1.424 -0.408 1.00 0.00 H new ATOM 0 HB2 PHE A 128 8.223 -1.012 -0.267 1.00 0.00 H new ATOM 0 HB3 PHE A 128 8.311 -2.748 -0.042 1.00 0.00 H new ATOM 0 HD1 PHE A 128 7.827 -3.752 2.140 1.00 0.00 H new ATOM 0 HD2 PHE A 128 7.549 0.455 1.559 1.00 0.00 H new ATOM 0 HE1 PHE A 128 6.543 -3.555 4.222 1.00 0.00 H new ATOM 0 HE2 PHE A 128 6.274 0.661 3.648 1.00 0.00 H new ATOM 0 HZ PHE A 128 5.758 -1.348 4.979 1.00 0.00 H new ATOM 800 N HIS A 129 10.610 0.610 1.096 1.00 0.00 N ATOM 801 CA HIS A 129 11.025 1.717 1.946 1.00 0.00 C ATOM 802 C HIS A 129 9.926 2.769 2.028 1.00 0.00 C ATOM 803 O HIS A 129 9.654 3.470 1.057 1.00 0.00 O ATOM 804 CB HIS A 129 12.313 2.355 1.411 1.00 0.00 C ATOM 805 CG HIS A 129 13.478 1.412 1.331 1.00 0.00 C ATOM 806 ND1 HIS A 129 14.333 1.244 2.395 1.00 0.00 N ATOM 807 CD2 HIS A 129 13.881 0.613 0.310 1.00 0.00 C ATOM 808 CE1 HIS A 129 15.223 0.351 2.005 1.00 0.00 C ATOM 809 NE2 HIS A 129 14.990 -0.058 0.752 1.00 0.00 N ATOM 0 H HIS A 129 10.439 0.866 0.124 1.00 0.00 H new ATOM 0 HA HIS A 129 11.214 1.324 2.945 1.00 0.00 H new ATOM 0 HB2 HIS A 129 12.119 2.761 0.418 1.00 0.00 H new ATOM 0 HB3 HIS A 129 12.583 3.195 2.051 1.00 0.00 H new ATOM 0 HD2 HIS A 129 13.417 0.524 -0.661 1.00 0.00 H new ATOM 0 HE1 HIS A 129 16.037 -0.005 2.619 1.00 0.00 H new ATOM 0 HE2 HIS A 129 15.535 -0.741 0.226 1.00 0.00 H new ATOM 817 N TYR A 130 9.292 2.872 3.185 1.00 0.00 N ATOM 818 CA TYR A 130 8.252 3.858 3.396 1.00 0.00 C ATOM 819 C TYR A 130 8.853 5.124 3.988 1.00 0.00 C ATOM 820 O TYR A 130 9.155 5.187 5.182 1.00 0.00 O ATOM 821 CB TYR A 130 7.172 3.300 4.328 1.00 0.00 C ATOM 822 CG TYR A 130 5.769 3.778 4.006 1.00 0.00 C ATOM 823 CD1 TYR A 130 5.230 3.601 2.740 1.00 0.00 C ATOM 824 CD2 TYR A 130 4.983 4.395 4.969 1.00 0.00 C ATOM 825 CE1 TYR A 130 3.951 4.030 2.439 1.00 0.00 C ATOM 826 CE2 TYR A 130 3.701 4.827 4.678 1.00 0.00 C ATOM 827 CZ TYR A 130 3.190 4.640 3.411 1.00 0.00 C ATOM 828 OH TYR A 130 1.913 5.067 3.116 1.00 0.00 O ATOM 0 H TYR A 130 9.483 2.281 3.994 1.00 0.00 H new ATOM 0 HA TYR A 130 7.793 4.098 2.437 1.00 0.00 H new ATOM 0 HB2 TYR A 130 7.193 2.211 4.280 1.00 0.00 H new ATOM 0 HB3 TYR A 130 7.413 3.579 5.354 1.00 0.00 H new ATOM 0 HD1 TYR A 130 5.821 3.119 1.975 1.00 0.00 H new ATOM 0 HD2 TYR A 130 5.379 4.541 5.963 1.00 0.00 H new ATOM 0 HE1 TYR A 130 3.550 3.887 1.446 1.00 0.00 H new ATOM 0 HE2 TYR A 130 3.104 5.308 5.439 1.00 0.00 H new ATOM 0 HH TYR A 130 1.611 4.646 2.284 1.00 0.00 H new ATOM 838 N ILE A 131 9.031 6.128 3.147 1.00 0.00 N ATOM 839 CA ILE A 131 9.609 7.390 3.570 1.00 0.00 C ATOM 840 C ILE A 131 8.653 8.527 3.255 1.00 0.00 C ATOM 841 O ILE A 131 8.238 8.685 2.107 1.00 0.00 O ATOM 842 CB ILE A 131 10.966 7.656 2.882 1.00 0.00 C ATOM 843 CG1 ILE A 131 11.875 6.429 2.993 1.00 0.00 C ATOM 844 CG2 ILE A 131 11.644 8.873 3.491 1.00 0.00 C ATOM 845 CD1 ILE A 131 12.906 6.345 1.889 1.00 0.00 C ATOM 0 H ILE A 131 8.781 6.092 2.159 1.00 0.00 H new ATOM 0 HA ILE A 131 9.779 7.332 4.645 1.00 0.00 H new ATOM 0 HB ILE A 131 10.781 7.855 1.826 1.00 0.00 H new ATOM 0 HG12 ILE A 131 12.385 6.450 3.956 1.00 0.00 H new ATOM 0 HG13 ILE A 131 11.261 5.528 2.977 1.00 0.00 H new ATOM 0 HG21 ILE A 131 12.599 9.045 2.994 1.00 0.00 H new ATOM 0 HG22 ILE A 131 11.006 9.747 3.363 1.00 0.00 H new ATOM 0 HG23 ILE A 131 11.815 8.701 4.554 1.00 0.00 H new ATOM 0 HD11 ILE A 131 13.516 5.453 2.028 1.00 0.00 H new ATOM 0 HD12 ILE A 131 12.402 6.293 0.924 1.00 0.00 H new ATOM 0 HD13 ILE A 131 13.543 7.229 1.919 1.00 0.00 H new ATOM 857 N ASN A 132 8.276 9.282 4.288 1.00 0.00 N ATOM 858 CA ASN A 132 7.388 10.441 4.133 1.00 0.00 C ATOM 859 C ASN A 132 6.017 10.017 3.600 1.00 0.00 C ATOM 860 O ASN A 132 5.317 10.799 2.953 1.00 0.00 O ATOM 861 CB ASN A 132 8.020 11.480 3.195 1.00 0.00 C ATOM 862 CG ASN A 132 7.675 12.911 3.568 1.00 0.00 C ATOM 863 OD1 ASN A 132 8.548 13.693 3.939 1.00 0.00 O ATOM 864 ND2 ASN A 132 6.405 13.264 3.462 1.00 0.00 N ATOM 0 H ASN A 132 8.573 9.112 5.249 1.00 0.00 H new ATOM 0 HA ASN A 132 7.249 10.890 5.116 1.00 0.00 H new ATOM 0 HB2 ASN A 132 9.103 11.359 3.207 1.00 0.00 H new ATOM 0 HB3 ASN A 132 7.689 11.288 2.174 1.00 0.00 H new ATOM 0 HD21 ASN A 132 6.119 14.216 3.692 1.00 0.00 H new ATOM 0 HD22 ASN A 132 5.711 12.584 3.150 1.00 0.00 H new ATOM 871 N GLY A 133 5.639 8.771 3.870 1.00 0.00 N ATOM 872 CA GLY A 133 4.364 8.267 3.402 1.00 0.00 C ATOM 873 C GLY A 133 4.401 7.888 1.939 1.00 0.00 C ATOM 874 O GLY A 133 3.410 8.033 1.225 1.00 0.00 O ATOM 0 H GLY A 133 6.194 8.103 4.405 1.00 0.00 H new ATOM 0 HA2 GLY A 133 4.080 7.397 3.994 1.00 0.00 H new ATOM 0 HA3 GLY A 133 3.596 9.024 3.560 1.00 0.00 H new ATOM 878 N SER A 134 5.548 7.388 1.490 1.00 0.00 N ATOM 879 CA SER A 134 5.724 7.029 0.094 1.00 0.00 C ATOM 880 C SER A 134 6.491 5.724 -0.002 1.00 0.00 C ATOM 881 O SER A 134 7.271 5.393 0.893 1.00 0.00 O ATOM 882 CB SER A 134 6.459 8.143 -0.659 1.00 0.00 C ATOM 883 OG SER A 134 6.507 9.337 0.105 1.00 0.00 O ATOM 0 H SER A 134 6.367 7.224 2.075 1.00 0.00 H new ATOM 0 HA SER A 134 4.745 6.900 -0.367 1.00 0.00 H new ATOM 0 HB2 SER A 134 7.473 7.818 -0.894 1.00 0.00 H new ATOM 0 HB3 SER A 134 5.958 8.336 -1.608 1.00 0.00 H new ATOM 0 HG SER A 134 7.123 9.219 0.858 1.00 0.00 H new ATOM 889 N LEU A 135 6.269 4.988 -1.075 1.00 0.00 N ATOM 890 CA LEU A 135 6.861 3.673 -1.226 1.00 0.00 C ATOM 891 C LEU A 135 8.049 3.730 -2.173 1.00 0.00 C ATOM 892 O LEU A 135 7.894 4.023 -3.352 1.00 0.00 O ATOM 893 CB LEU A 135 5.819 2.685 -1.759 1.00 0.00 C ATOM 894 CG LEU A 135 4.647 2.408 -0.820 1.00 0.00 C ATOM 895 CD1 LEU A 135 3.369 2.161 -1.606 1.00 0.00 C ATOM 896 CD2 LEU A 135 4.957 1.223 0.072 1.00 0.00 C ATOM 0 H LEU A 135 5.682 5.280 -1.856 1.00 0.00 H new ATOM 0 HA LEU A 135 7.207 3.336 -0.249 1.00 0.00 H new ATOM 0 HB2 LEU A 135 5.427 3.068 -2.701 1.00 0.00 H new ATOM 0 HB3 LEU A 135 6.317 1.741 -1.981 1.00 0.00 H new ATOM 0 HG LEU A 135 4.495 3.287 -0.194 1.00 0.00 H new ATOM 0 HD11 LEU A 135 2.549 1.966 -0.915 1.00 0.00 H new ATOM 0 HD12 LEU A 135 3.136 3.040 -2.207 1.00 0.00 H new ATOM 0 HD13 LEU A 135 3.505 1.300 -2.260 1.00 0.00 H new ATOM 0 HD21 LEU A 135 4.113 1.037 0.736 1.00 0.00 H new ATOM 0 HD22 LEU A 135 5.136 0.341 -0.543 1.00 0.00 H new ATOM 0 HD23 LEU A 135 5.846 1.437 0.666 1.00 0.00 H new ATOM 908 N PHE A 136 9.227 3.478 -1.645 1.00 0.00 N ATOM 909 CA PHE A 136 10.424 3.380 -2.460 1.00 0.00 C ATOM 910 C PHE A 136 10.870 1.933 -2.497 1.00 0.00 C ATOM 911 O PHE A 136 10.629 1.189 -1.546 1.00 0.00 O ATOM 912 CB PHE A 136 11.537 4.271 -1.902 1.00 0.00 C ATOM 913 CG PHE A 136 11.155 5.723 -1.815 1.00 0.00 C ATOM 914 CD1 PHE A 136 10.397 6.195 -0.756 1.00 0.00 C ATOM 915 CD2 PHE A 136 11.553 6.616 -2.796 1.00 0.00 C ATOM 916 CE1 PHE A 136 10.042 7.525 -0.676 1.00 0.00 C ATOM 917 CE2 PHE A 136 11.202 7.950 -2.722 1.00 0.00 C ATOM 918 CZ PHE A 136 10.445 8.405 -1.661 1.00 0.00 C ATOM 0 H PHE A 136 9.385 3.336 -0.647 1.00 0.00 H new ATOM 0 HA PHE A 136 10.203 3.723 -3.471 1.00 0.00 H new ATOM 0 HB2 PHE A 136 11.813 3.916 -0.909 1.00 0.00 H new ATOM 0 HB3 PHE A 136 12.421 4.173 -2.532 1.00 0.00 H new ATOM 0 HD1 PHE A 136 10.080 5.512 0.018 1.00 0.00 H new ATOM 0 HD2 PHE A 136 12.145 6.265 -3.629 1.00 0.00 H new ATOM 0 HE1 PHE A 136 9.450 7.878 0.155 1.00 0.00 H new ATOM 0 HE2 PHE A 136 11.519 8.636 -3.493 1.00 0.00 H new ATOM 0 HZ PHE A 136 10.168 9.447 -1.601 1.00 0.00 H new ATOM 928 N CYS A 137 11.507 1.532 -3.577 1.00 0.00 N ATOM 929 CA CYS A 137 11.903 0.152 -3.725 1.00 0.00 C ATOM 930 C CYS A 137 13.418 0.034 -3.735 1.00 0.00 C ATOM 931 O CYS A 137 14.126 1.043 -3.709 1.00 0.00 O ATOM 932 CB CYS A 137 11.275 -0.463 -4.983 1.00 0.00 C ATOM 933 SG CYS A 137 12.085 -0.031 -6.557 1.00 0.00 S ATOM 0 H CYS A 137 11.759 2.138 -4.358 1.00 0.00 H new ATOM 0 HA CYS A 137 11.533 -0.413 -2.869 1.00 0.00 H new ATOM 0 HB2 CYS A 137 11.281 -1.548 -4.877 1.00 0.00 H new ATOM 0 HB3 CYS A 137 10.231 -0.154 -5.035 1.00 0.00 H new ATOM 0 HG CYS A 137 12.536 1.187 -6.493 1.00 0.00 H new ATOM 938 N GLU A 138 13.906 -1.198 -3.786 1.00 0.00 N ATOM 939 CA GLU A 138 15.337 -1.466 -3.701 1.00 0.00 C ATOM 940 C GLU A 138 16.073 -0.957 -4.943 1.00 0.00 C ATOM 941 O GLU A 138 17.294 -0.791 -4.931 1.00 0.00 O ATOM 942 CB GLU A 138 15.582 -2.970 -3.540 1.00 0.00 C ATOM 943 CG GLU A 138 15.377 -3.475 -2.122 1.00 0.00 C ATOM 944 CD GLU A 138 16.456 -2.994 -1.172 1.00 0.00 C ATOM 945 OE1 GLU A 138 16.293 -1.915 -0.580 1.00 0.00 O ATOM 946 OE2 GLU A 138 17.472 -3.704 -1.000 1.00 0.00 O ATOM 0 H GLU A 138 13.329 -2.033 -3.886 1.00 0.00 H new ATOM 0 HA GLU A 138 15.725 -0.936 -2.831 1.00 0.00 H new ATOM 0 HB2 GLU A 138 14.913 -3.511 -4.209 1.00 0.00 H new ATOM 0 HB3 GLU A 138 16.601 -3.199 -3.854 1.00 0.00 H new ATOM 0 HG2 GLU A 138 14.404 -3.144 -1.759 1.00 0.00 H new ATOM 0 HG3 GLU A 138 15.361 -4.565 -2.127 1.00 0.00 H new ATOM 953 N HIS A 139 15.320 -0.708 -6.010 1.00 0.00 N ATOM 954 CA HIS A 139 15.907 -0.291 -7.275 1.00 0.00 C ATOM 955 C HIS A 139 16.353 1.170 -7.220 1.00 0.00 C ATOM 956 O HIS A 139 17.464 1.503 -7.639 1.00 0.00 O ATOM 957 CB HIS A 139 14.907 -0.498 -8.421 1.00 0.00 C ATOM 958 CG HIS A 139 15.451 -0.153 -9.779 1.00 0.00 C ATOM 959 ND1 HIS A 139 16.711 -0.541 -10.170 1.00 0.00 N ATOM 960 CD2 HIS A 139 14.875 0.550 -10.783 1.00 0.00 C ATOM 961 CE1 HIS A 139 16.868 -0.072 -11.397 1.00 0.00 C ATOM 962 NE2 HIS A 139 15.783 0.595 -11.811 1.00 0.00 N ATOM 0 H HIS A 139 14.303 -0.788 -6.022 1.00 0.00 H new ATOM 0 HA HIS A 139 16.787 -0.908 -7.458 1.00 0.00 H new ATOM 0 HB2 HIS A 139 14.585 -1.539 -8.424 1.00 0.00 H new ATOM 0 HB3 HIS A 139 14.022 0.109 -8.231 1.00 0.00 H new ATOM 0 HD2 HIS A 139 13.889 0.991 -10.776 1.00 0.00 H new ATOM 0 HE1 HIS A 139 17.760 -0.210 -11.991 1.00 0.00 H new ATOM 0 HE2 HIS A 139 15.656 1.049 -12.716 1.00 0.00 H new ATOM 970 N ASP A 140 15.500 2.040 -6.696 1.00 0.00 N ATOM 971 CA ASP A 140 15.817 3.461 -6.648 1.00 0.00 C ATOM 972 C ASP A 140 16.468 3.832 -5.323 1.00 0.00 C ATOM 973 O ASP A 140 17.407 4.624 -5.312 1.00 0.00 O ATOM 974 CB ASP A 140 14.575 4.323 -6.909 1.00 0.00 C ATOM 975 CG ASP A 140 13.513 4.206 -5.833 1.00 0.00 C ATOM 976 OD1 ASP A 140 12.954 3.104 -5.662 1.00 0.00 O ATOM 977 OD2 ASP A 140 13.242 5.222 -5.151 1.00 0.00 O ATOM 0 H ASP A 140 14.593 1.791 -6.302 1.00 0.00 H new ATOM 0 HA ASP A 140 16.533 3.664 -7.445 1.00 0.00 H new ATOM 0 HB2 ASP A 140 14.879 5.366 -6.994 1.00 0.00 H new ATOM 0 HB3 ASP A 140 14.141 4.038 -7.867 1.00 0.00 H new ATOM 982 N ARG A 141 15.966 3.235 -4.234 1.00 0.00 N ATOM 983 CA ARG A 141 16.507 3.397 -2.869 1.00 0.00 C ATOM 984 C ARG A 141 17.285 4.701 -2.664 1.00 0.00 C ATOM 985 O ARG A 141 18.515 4.728 -2.779 1.00 0.00 O ATOM 986 CB ARG A 141 17.399 2.208 -2.516 1.00 0.00 C ATOM 987 CG ARG A 141 17.075 1.595 -1.166 1.00 0.00 C ATOM 988 CD ARG A 141 18.329 1.147 -0.435 1.00 0.00 C ATOM 989 NE ARG A 141 18.320 -0.291 -0.183 1.00 0.00 N ATOM 990 CZ ARG A 141 19.235 -0.939 0.533 1.00 0.00 C ATOM 991 NH1 ARG A 141 20.213 -0.273 1.139 1.00 0.00 N ATOM 992 NH2 ARG A 141 19.156 -2.257 0.655 1.00 0.00 N ATOM 0 H ARG A 141 15.158 2.614 -4.273 1.00 0.00 H new ATOM 0 HA ARG A 141 15.644 3.441 -2.204 1.00 0.00 H new ATOM 0 HB2 ARG A 141 17.298 1.445 -3.288 1.00 0.00 H new ATOM 0 HB3 ARG A 141 18.440 2.530 -2.521 1.00 0.00 H new ATOM 0 HG2 ARG A 141 16.539 2.322 -0.556 1.00 0.00 H new ATOM 0 HG3 ARG A 141 16.410 0.742 -1.304 1.00 0.00 H new ATOM 0 HD2 ARG A 141 19.208 1.408 -1.025 1.00 0.00 H new ATOM 0 HD3 ARG A 141 18.410 1.682 0.511 1.00 0.00 H new ATOM 0 HE ARG A 141 17.558 -0.838 -0.584 1.00 0.00 H new ATOM 0 HH11 ARG A 141 20.266 0.742 1.057 1.00 0.00 H new ATOM 0 HH12 ARG A 141 20.911 -0.777 1.686 1.00 0.00 H new ATOM 0 HH21 ARG A 141 18.398 -2.767 0.202 1.00 0.00 H new ATOM 0 HH22 ARG A 141 19.854 -2.761 1.202 1.00 0.00 H new ATOM 1006 N PRO A 142 16.577 5.793 -2.352 1.00 0.00 N ATOM 1007 CA PRO A 142 17.192 7.106 -2.155 1.00 0.00 C ATOM 1008 C PRO A 142 18.283 7.097 -1.082 1.00 0.00 C ATOM 1009 O PRO A 142 18.112 6.534 0.001 1.00 0.00 O ATOM 1010 CB PRO A 142 16.023 8.007 -1.732 1.00 0.00 C ATOM 1011 CG PRO A 142 14.918 7.080 -1.361 1.00 0.00 C ATOM 1012 CD PRO A 142 15.122 5.837 -2.174 1.00 0.00 C ATOM 0 HA PRO A 142 17.696 7.446 -3.060 1.00 0.00 H new ATOM 0 HB2 PRO A 142 16.302 8.642 -0.891 1.00 0.00 H new ATOM 0 HB3 PRO A 142 15.724 8.669 -2.545 1.00 0.00 H new ATOM 0 HG2 PRO A 142 14.940 6.855 -0.295 1.00 0.00 H new ATOM 0 HG3 PRO A 142 13.947 7.528 -1.572 1.00 0.00 H new ATOM 0 HD2 PRO A 142 14.752 4.952 -1.657 1.00 0.00 H new ATOM 0 HD3 PRO A 142 14.600 5.890 -3.129 1.00 0.00 H new ATOM 1020 N THR A 143 19.405 7.722 -1.398 1.00 0.00 N ATOM 1021 CA THR A 143 20.530 7.797 -0.480 1.00 0.00 C ATOM 1022 C THR A 143 20.616 9.194 0.132 1.00 0.00 C ATOM 1023 O THR A 143 21.111 9.372 1.245 1.00 0.00 O ATOM 1024 CB THR A 143 21.851 7.427 -1.206 1.00 0.00 C ATOM 1025 OG1 THR A 143 21.984 5.998 -1.257 1.00 0.00 O ATOM 1026 CG2 THR A 143 23.081 8.017 -0.522 1.00 0.00 C ATOM 0 H THR A 143 19.562 8.189 -2.291 1.00 0.00 H new ATOM 0 HA THR A 143 20.376 7.078 0.324 1.00 0.00 H new ATOM 0 HB THR A 143 21.797 7.849 -2.210 1.00 0.00 H new ATOM 0 HG1 THR A 143 22.817 5.763 -1.717 1.00 0.00 H new ATOM 0 HG21 THR A 143 23.977 7.727 -1.071 1.00 0.00 H new ATOM 0 HG22 THR A 143 23.002 9.104 -0.505 1.00 0.00 H new ATOM 0 HG23 THR A 143 23.144 7.642 0.499 1.00 0.00 H new ATOM 1034 N ALA A 144 20.090 10.177 -0.593 1.00 0.00 N ATOM 1035 CA ALA A 144 20.106 11.559 -0.133 1.00 0.00 C ATOM 1036 C ALA A 144 19.185 11.743 1.072 1.00 0.00 C ATOM 1037 O ALA A 144 19.591 12.296 2.094 1.00 0.00 O ATOM 1038 CB ALA A 144 19.701 12.498 -1.257 1.00 0.00 C ATOM 0 H ALA A 144 19.647 10.040 -1.502 1.00 0.00 H new ATOM 0 HA ALA A 144 21.123 11.802 0.175 1.00 0.00 H new ATOM 0 HB1 ALA A 144 19.718 13.526 -0.896 1.00 0.00 H new ATOM 0 HB2 ALA A 144 20.399 12.393 -2.088 1.00 0.00 H new ATOM 0 HB3 ALA A 144 18.695 12.249 -1.595 1.00 0.00 H new ATOM 1044 N LEU A 145 17.948 11.281 0.943 1.00 0.00 N ATOM 1045 CA LEU A 145 16.987 11.360 2.031 1.00 0.00 C ATOM 1046 C LEU A 145 16.274 10.025 2.216 1.00 0.00 C ATOM 1047 O LEU A 145 15.371 9.678 1.452 1.00 0.00 O ATOM 1048 CB LEU A 145 15.964 12.465 1.763 1.00 0.00 C ATOM 1049 CG LEU A 145 15.981 13.618 2.765 1.00 0.00 C ATOM 1050 CD1 LEU A 145 16.094 14.954 2.042 1.00 0.00 C ATOM 1051 CD2 LEU A 145 14.734 13.589 3.637 1.00 0.00 C ATOM 0 H LEU A 145 17.588 10.847 0.093 1.00 0.00 H new ATOM 0 HA LEU A 145 17.529 11.597 2.946 1.00 0.00 H new ATOM 0 HB2 LEU A 145 16.140 12.868 0.766 1.00 0.00 H new ATOM 0 HB3 LEU A 145 14.968 12.023 1.757 1.00 0.00 H new ATOM 0 HG LEU A 145 16.853 13.499 3.408 1.00 0.00 H new ATOM 0 HD11 LEU A 145 16.105 15.763 2.772 1.00 0.00 H new ATOM 0 HD12 LEU A 145 17.016 14.977 1.462 1.00 0.00 H new ATOM 0 HD13 LEU A 145 15.242 15.079 1.374 1.00 0.00 H new ATOM 0 HD21 LEU A 145 14.765 14.418 4.344 1.00 0.00 H new ATOM 0 HD22 LEU A 145 13.848 13.681 3.008 1.00 0.00 H new ATOM 0 HD23 LEU A 145 14.694 12.647 4.184 1.00 0.00 H new ATOM 1063 N ILE A 146 16.690 9.275 3.224 1.00 0.00 N ATOM 1064 CA ILE A 146 16.071 7.994 3.530 1.00 0.00 C ATOM 1065 C ILE A 146 15.850 7.867 5.040 1.00 0.00 C ATOM 1066 O ILE A 146 16.698 8.271 5.833 1.00 0.00 O ATOM 1067 CB ILE A 146 16.928 6.811 3.004 1.00 0.00 C ATOM 1068 CG1 ILE A 146 16.215 5.475 3.254 1.00 0.00 C ATOM 1069 CG2 ILE A 146 18.317 6.813 3.635 1.00 0.00 C ATOM 1070 CD1 ILE A 146 16.349 4.491 2.112 1.00 0.00 C ATOM 0 H ILE A 146 17.456 9.532 3.846 1.00 0.00 H new ATOM 0 HA ILE A 146 15.106 7.953 3.024 1.00 0.00 H new ATOM 0 HB ILE A 146 17.053 6.937 1.928 1.00 0.00 H new ATOM 0 HG12 ILE A 146 16.617 5.023 4.161 1.00 0.00 H new ATOM 0 HG13 ILE A 146 15.157 5.666 3.435 1.00 0.00 H new ATOM 0 HG21 ILE A 146 18.894 5.973 3.247 1.00 0.00 H new ATOM 0 HG22 ILE A 146 18.826 7.746 3.392 1.00 0.00 H new ATOM 0 HG23 ILE A 146 18.225 6.721 4.717 1.00 0.00 H new ATOM 0 HD11 ILE A 146 15.820 3.571 2.361 1.00 0.00 H new ATOM 0 HD12 ILE A 146 15.921 4.923 1.207 1.00 0.00 H new ATOM 0 HD13 ILE A 146 17.403 4.270 1.944 1.00 0.00 H new ATOM 1146 N GLY A 207 15.120 -2.019 4.760 1.00 0.00 N ATOM 1147 CA GLY A 207 13.714 -1.677 4.709 1.00 0.00 C ATOM 1148 C GLY A 207 12.847 -2.866 5.054 1.00 0.00 C ATOM 1149 O GLY A 207 13.344 -3.991 5.147 1.00 0.00 O ATOM 0 HA2 GLY A 207 13.510 -0.862 5.403 1.00 0.00 H new ATOM 0 HA3 GLY A 207 13.461 -1.317 3.712 1.00 0.00 H new ATOM 1153 N SER A 208 11.561 -2.625 5.233 1.00 0.00 N ATOM 1154 CA SER A 208 10.640 -3.666 5.653 1.00 0.00 C ATOM 1155 C SER A 208 10.262 -4.574 4.487 1.00 0.00 C ATOM 1156 O SER A 208 10.097 -4.119 3.357 1.00 0.00 O ATOM 1157 CB SER A 208 9.384 -3.030 6.255 1.00 0.00 C ATOM 1158 OG SER A 208 9.578 -1.642 6.492 1.00 0.00 O ATOM 0 H SER A 208 11.128 -1.712 5.093 1.00 0.00 H new ATOM 0 HA SER A 208 11.135 -4.279 6.406 1.00 0.00 H new ATOM 0 HB2 SER A 208 8.541 -3.173 5.579 1.00 0.00 H new ATOM 0 HB3 SER A 208 9.131 -3.530 7.190 1.00 0.00 H new ATOM 0 HG SER A 208 8.762 -1.258 6.875 1.00 0.00 H new ATOM 1164 N ILE A 404 10.158 -5.863 4.764 1.00 0.00 N ATOM 1165 CA ILE A 404 9.652 -6.820 3.792 1.00 0.00 C ATOM 1166 C ILE A 404 8.154 -6.610 3.619 1.00 0.00 C ATOM 1167 O ILE A 404 7.478 -6.211 4.567 1.00 0.00 O ATOM 1168 CB ILE A 404 9.926 -8.271 4.260 1.00 0.00 C ATOM 1169 CG1 ILE A 404 11.421 -8.471 4.527 1.00 0.00 C ATOM 1170 CG2 ILE A 404 9.422 -9.283 3.240 1.00 0.00 C ATOM 1171 CD1 ILE A 404 12.274 -8.442 3.278 1.00 0.00 C ATOM 0 H ILE A 404 10.419 -6.274 5.660 1.00 0.00 H new ATOM 0 HA ILE A 404 10.162 -6.664 2.841 1.00 0.00 H new ATOM 0 HB ILE A 404 9.381 -8.436 5.189 1.00 0.00 H new ATOM 0 HG12 ILE A 404 11.766 -7.694 5.209 1.00 0.00 H new ATOM 0 HG13 ILE A 404 11.566 -9.426 5.032 1.00 0.00 H new ATOM 0 HG21 ILE A 404 9.628 -10.292 3.596 1.00 0.00 H new ATOM 0 HG22 ILE A 404 8.348 -9.159 3.104 1.00 0.00 H new ATOM 0 HG23 ILE A 404 9.929 -9.123 2.288 1.00 0.00 H new ATOM 0 HD11 ILE A 404 13.320 -8.590 3.548 1.00 0.00 H new ATOM 0 HD12 ILE A 404 11.957 -9.237 2.603 1.00 0.00 H new ATOM 0 HD13 ILE A 404 12.161 -7.478 2.782 1.00 0.00 H new ATOM 1183 N ALA A 405 7.651 -6.843 2.410 1.00 0.00 N ATOM 1184 CA ALA A 405 6.219 -6.743 2.140 1.00 0.00 C ATOM 1185 C ALA A 405 5.421 -7.501 3.198 1.00 0.00 C ATOM 1186 O ALA A 405 5.554 -8.719 3.326 1.00 0.00 O ATOM 1187 CB ALA A 405 5.898 -7.276 0.751 1.00 0.00 C ATOM 0 H ALA A 405 8.214 -7.103 1.600 1.00 0.00 H new ATOM 0 HA ALA A 405 5.935 -5.691 2.180 1.00 0.00 H new ATOM 0 HB1 ALA A 405 4.827 -7.193 0.568 1.00 0.00 H new ATOM 0 HB2 ALA A 405 6.440 -6.695 0.004 1.00 0.00 H new ATOM 0 HB3 ALA A 405 6.198 -8.322 0.684 1.00 0.00 H new ATOM 1193 N PRO A 406 4.579 -6.779 3.962 1.00 0.00 N ATOM 1194 CA PRO A 406 3.861 -7.323 5.127 1.00 0.00 C ATOM 1195 C PRO A 406 2.766 -8.324 4.762 1.00 0.00 C ATOM 1196 O PRO A 406 1.992 -8.739 5.630 1.00 0.00 O ATOM 1197 CB PRO A 406 3.236 -6.082 5.789 1.00 0.00 C ATOM 1198 CG PRO A 406 3.893 -4.908 5.142 1.00 0.00 C ATOM 1199 CD PRO A 406 4.269 -5.359 3.763 1.00 0.00 C ATOM 0 HA PRO A 406 4.542 -7.881 5.770 1.00 0.00 H new ATOM 0 HB2 PRO A 406 2.157 -6.059 5.639 1.00 0.00 H new ATOM 0 HB3 PRO A 406 3.408 -6.083 6.865 1.00 0.00 H new ATOM 0 HG2 PRO A 406 3.217 -4.054 5.103 1.00 0.00 H new ATOM 0 HG3 PRO A 406 4.772 -4.593 5.704 1.00 0.00 H new ATOM 0 HD2 PRO A 406 3.453 -5.218 3.054 1.00 0.00 H new ATOM 0 HD3 PRO A 406 5.126 -4.808 3.376 1.00 0.00 H new ATOM 1207 N PHE A 407 2.715 -8.698 3.485 1.00 0.00 N ATOM 1208 CA PHE A 407 1.745 -9.668 2.978 1.00 0.00 C ATOM 1209 C PHE A 407 0.334 -9.079 2.952 1.00 0.00 C ATOM 1210 O PHE A 407 0.050 -8.080 3.618 1.00 0.00 O ATOM 1211 CB PHE A 407 1.765 -10.954 3.820 1.00 0.00 C ATOM 1212 CG PHE A 407 2.851 -11.921 3.442 1.00 0.00 C ATOM 1213 CD1 PHE A 407 4.099 -11.849 4.043 1.00 0.00 C ATOM 1214 CD2 PHE A 407 2.617 -12.910 2.506 1.00 0.00 C ATOM 1215 CE1 PHE A 407 5.094 -12.750 3.713 1.00 0.00 C ATOM 1216 CE2 PHE A 407 3.607 -13.810 2.169 1.00 0.00 C ATOM 1217 CZ PHE A 407 4.845 -13.733 2.775 1.00 0.00 C ATOM 0 H PHE A 407 3.347 -8.336 2.770 1.00 0.00 H new ATOM 0 HA PHE A 407 2.032 -9.915 1.956 1.00 0.00 H new ATOM 0 HB2 PHE A 407 1.882 -10.686 4.870 1.00 0.00 H new ATOM 0 HB3 PHE A 407 0.800 -11.453 3.724 1.00 0.00 H new ATOM 0 HD1 PHE A 407 4.295 -11.081 4.776 1.00 0.00 H new ATOM 0 HD2 PHE A 407 1.649 -12.979 2.033 1.00 0.00 H new ATOM 0 HE1 PHE A 407 6.062 -12.686 4.187 1.00 0.00 H new ATOM 0 HE2 PHE A 407 3.413 -14.575 1.431 1.00 0.00 H new ATOM 0 HZ PHE A 407 5.618 -14.441 2.516 1.00 0.00 H new ATOM 1227 N PRO A 408 -0.560 -9.673 2.146 1.00 0.00 N ATOM 1228 CA PRO A 408 -1.964 -9.280 2.098 1.00 0.00 C ATOM 1229 C PRO A 408 -2.739 -9.802 3.302 1.00 0.00 C ATOM 1230 O PRO A 408 -2.641 -10.979 3.656 1.00 0.00 O ATOM 1231 CB PRO A 408 -2.492 -9.924 0.808 1.00 0.00 C ATOM 1232 CG PRO A 408 -1.300 -10.521 0.126 1.00 0.00 C ATOM 1233 CD PRO A 408 -0.276 -10.751 1.200 1.00 0.00 C ATOM 0 HA PRO A 408 -2.080 -8.196 2.116 1.00 0.00 H new ATOM 0 HB2 PRO A 408 -3.237 -10.688 1.030 1.00 0.00 H new ATOM 0 HB3 PRO A 408 -2.975 -9.183 0.171 1.00 0.00 H new ATOM 0 HG2 PRO A 408 -1.562 -11.456 -0.369 1.00 0.00 H new ATOM 0 HG3 PRO A 408 -0.915 -9.851 -0.642 1.00 0.00 H new ATOM 0 HD2 PRO A 408 -0.384 -11.733 1.660 1.00 0.00 H new ATOM 0 HD3 PRO A 408 0.740 -10.692 0.811 1.00 0.00 H new ATOM 1241 N GLU A 409 -3.503 -8.925 3.922 1.00 0.00 N ATOM 1242 CA GLU A 409 -4.318 -9.284 5.071 1.00 0.00 C ATOM 1243 C GLU A 409 -5.726 -8.725 4.901 1.00 0.00 C ATOM 1244 O GLU A 409 -6.012 -8.040 3.922 1.00 0.00 O ATOM 1245 CB GLU A 409 -3.690 -8.748 6.359 1.00 0.00 C ATOM 1246 CG GLU A 409 -3.561 -9.797 7.454 1.00 0.00 C ATOM 1247 CD GLU A 409 -4.694 -9.742 8.463 1.00 0.00 C ATOM 1248 OE1 GLU A 409 -5.791 -10.259 8.165 1.00 0.00 O ATOM 1249 OE2 GLU A 409 -4.486 -9.194 9.563 1.00 0.00 O ATOM 0 H GLU A 409 -3.578 -7.946 3.647 1.00 0.00 H new ATOM 0 HA GLU A 409 -4.372 -10.371 5.139 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -2.702 -8.347 6.133 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -4.293 -7.919 6.730 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -3.534 -10.787 7.000 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -2.612 -9.658 7.973 1.00 0.00 H new ATOM 1256 N ALA A 410 -6.606 -9.015 5.841 1.00 0.00 N ATOM 1257 CA ALA A 410 -7.968 -8.513 5.772 1.00 0.00 C ATOM 1258 C ALA A 410 -8.049 -7.119 6.385 1.00 0.00 C ATOM 1259 O ALA A 410 -7.366 -6.827 7.371 1.00 0.00 O ATOM 1260 CB ALA A 410 -8.930 -9.467 6.465 1.00 0.00 C ATOM 0 H ALA A 410 -6.405 -9.592 6.658 1.00 0.00 H new ATOM 0 HA ALA A 410 -8.260 -8.446 4.724 1.00 0.00 H new ATOM 0 HB1 ALA A 410 -9.944 -9.071 6.401 1.00 0.00 H new ATOM 0 HB2 ALA A 410 -8.889 -10.442 5.979 1.00 0.00 H new ATOM 0 HB3 ALA A 410 -8.647 -9.572 7.512 1.00 0.00 H new ATOM 1266 N ALA A 411 -8.859 -6.259 5.785 1.00 0.00 N ATOM 1267 CA ALA A 411 -9.027 -4.899 6.277 1.00 0.00 C ATOM 1268 C ALA A 411 -10.350 -4.753 7.024 1.00 0.00 C ATOM 1269 O ALA A 411 -10.703 -5.595 7.845 1.00 0.00 O ATOM 1270 CB ALA A 411 -8.950 -3.905 5.126 1.00 0.00 C ATOM 0 H ALA A 411 -9.411 -6.479 4.956 1.00 0.00 H new ATOM 0 HA ALA A 411 -8.218 -4.685 6.975 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -9.077 -2.893 5.510 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -7.979 -3.988 4.638 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -9.738 -4.121 4.405 1.00 0.00 H new ATOM 1276 N LEU A 412 -11.078 -3.685 6.730 1.00 0.00 N ATOM 1277 CA LEU A 412 -12.371 -3.446 7.344 1.00 0.00 C ATOM 1278 C LEU A 412 -13.479 -3.862 6.385 1.00 0.00 C ATOM 1279 O LEU A 412 -13.509 -3.413 5.237 1.00 0.00 O ATOM 1280 CB LEU A 412 -12.523 -1.967 7.713 1.00 0.00 C ATOM 1281 CG LEU A 412 -12.202 -1.609 9.171 1.00 0.00 C ATOM 1282 CD1 LEU A 412 -12.853 -2.594 10.128 1.00 0.00 C ATOM 1283 CD2 LEU A 412 -10.695 -1.567 9.397 1.00 0.00 C ATOM 0 H LEU A 412 -10.790 -2.967 6.065 1.00 0.00 H new ATOM 0 HA LEU A 412 -12.443 -4.039 8.256 1.00 0.00 H new ATOM 0 HB2 LEU A 412 -11.874 -1.381 7.063 1.00 0.00 H new ATOM 0 HB3 LEU A 412 -13.547 -1.662 7.500 1.00 0.00 H new ATOM 0 HG LEU A 412 -12.610 -0.618 9.370 1.00 0.00 H new ATOM 0 HD11 LEU A 412 -12.610 -2.319 11.154 1.00 0.00 H new ATOM 0 HD12 LEU A 412 -13.934 -2.572 9.992 1.00 0.00 H new ATOM 0 HD13 LEU A 412 -12.482 -3.598 9.925 1.00 0.00 H new ATOM 0 HD21 LEU A 412 -10.490 -1.311 10.437 1.00 0.00 H new ATOM 0 HD22 LEU A 412 -10.266 -2.543 9.172 1.00 0.00 H new ATOM 0 HD23 LEU A 412 -10.250 -0.816 8.744 1.00 0.00 H new ATOM 1295 N PRO A 413 -14.382 -4.745 6.838 1.00 0.00 N ATOM 1296 CA PRO A 413 -15.512 -5.222 6.030 1.00 0.00 C ATOM 1297 C PRO A 413 -16.423 -4.089 5.564 1.00 0.00 C ATOM 1298 O PRO A 413 -16.552 -3.062 6.236 1.00 0.00 O ATOM 1299 CB PRO A 413 -16.266 -6.156 6.985 1.00 0.00 C ATOM 1300 CG PRO A 413 -15.264 -6.549 8.013 1.00 0.00 C ATOM 1301 CD PRO A 413 -14.362 -5.365 8.176 1.00 0.00 C ATOM 0 HA PRO A 413 -15.175 -5.706 5.113 1.00 0.00 H new ATOM 0 HB2 PRO A 413 -17.119 -5.651 7.438 1.00 0.00 H new ATOM 0 HB3 PRO A 413 -16.654 -7.028 6.459 1.00 0.00 H new ATOM 0 HG2 PRO A 413 -15.749 -6.804 8.955 1.00 0.00 H new ATOM 0 HG3 PRO A 413 -14.702 -7.428 7.696 1.00 0.00 H new ATOM 0 HD2 PRO A 413 -14.728 -4.682 8.943 1.00 0.00 H new ATOM 0 HD3 PRO A 413 -13.355 -5.662 8.468 1.00 0.00 H new ATOM 1309 N THR A 414 -17.053 -4.293 4.415 1.00 0.00 N ATOM 1310 CA THR A 414 -17.924 -3.297 3.821 1.00 0.00 C ATOM 1311 C THR A 414 -19.185 -3.090 4.661 1.00 0.00 C ATOM 1312 O THR A 414 -19.637 -4.008 5.353 1.00 0.00 O ATOM 1313 CB THR A 414 -18.309 -3.728 2.395 1.00 0.00 C ATOM 1314 OG1 THR A 414 -17.401 -4.749 1.942 1.00 0.00 O ATOM 1315 CG2 THR A 414 -18.276 -2.547 1.435 1.00 0.00 C ATOM 0 H THR A 414 -16.973 -5.153 3.872 1.00 0.00 H new ATOM 0 HA THR A 414 -17.384 -2.351 3.785 1.00 0.00 H new ATOM 0 HB THR A 414 -19.326 -4.119 2.416 1.00 0.00 H new ATOM 0 HG1 THR A 414 -16.482 -4.411 1.983 1.00 0.00 H new ATOM 0 HG21 THR A 414 -18.552 -2.883 0.436 1.00 0.00 H new ATOM 0 HG22 THR A 414 -18.981 -1.786 1.770 1.00 0.00 H new ATOM 0 HG23 THR A 414 -17.271 -2.126 1.411 1.00 0.00 H new ATOM 1323 N SER A 415 -19.720 -1.870 4.618 1.00 0.00 N ATOM 1324 CA SER A 415 -20.926 -1.519 5.360 1.00 0.00 C ATOM 1325 C SER A 415 -22.087 -2.470 5.057 1.00 0.00 C ATOM 1326 O SER A 415 -22.596 -2.524 3.936 1.00 0.00 O ATOM 1327 CB SER A 415 -21.317 -0.079 5.032 1.00 0.00 C ATOM 1328 OG SER A 415 -20.160 0.719 4.814 1.00 0.00 O ATOM 0 H SER A 415 -19.331 -1.103 4.070 1.00 0.00 H new ATOM 0 HA SER A 415 -20.709 -1.612 6.424 1.00 0.00 H new ATOM 0 HB2 SER A 415 -21.949 -0.062 4.144 1.00 0.00 H new ATOM 0 HB3 SER A 415 -21.904 0.339 5.850 1.00 0.00 H new ATOM 0 HG SER A 415 -20.134 1.444 5.472 1.00 0.00 H new