USER MOD reduce.3.24.130724 H: found=0, std=0, add=199, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 199 hydrogens (3 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 Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 119 17.256 2.271 1.016 1.00 1.83 C HETATM 2 O ACE A 119 17.026 1.198 1.575 1.00 2.58 O HETATM 3 CH3 ACE A 119 18.416 3.127 1.445 1.00 2.30 C HETATM 0 H1 ACE A 119 19.097 3.264 0.605 1.00 2.30 H new HETATM 0 H2 ACE A 119 18.049 4.098 1.776 1.00 2.30 H new HETATM 0 H3 ACE A 119 18.944 2.640 2.265 1.00 2.30 H new ATOM 7 N SER A 120 16.516 2.748 0.016 1.00 0.79 N ATOM 8 CA SER A 120 15.357 2.040 -0.520 1.00 0.48 C ATOM 9 C SER A 120 14.296 1.821 0.556 1.00 0.38 C ATOM 10 O SER A 120 13.550 0.842 0.519 1.00 0.44 O ATOM 11 CB SER A 120 15.790 0.705 -1.130 1.00 0.83 C ATOM 12 OG SER A 120 16.764 0.909 -2.142 1.00 1.27 O ATOM 0 H SER A 120 16.705 3.638 -0.445 1.00 0.79 H new ATOM 0 HA SER A 120 14.913 2.657 -1.302 1.00 0.48 H new ATOM 0 HB2 SER A 120 16.196 0.059 -0.352 1.00 0.83 H new ATOM 0 HB3 SER A 120 14.924 0.193 -1.550 1.00 0.83 H new ATOM 0 HG SER A 120 17.030 0.044 -2.519 1.00 1.27 H new ATOM 18 N ARG A 121 14.229 2.742 1.509 1.00 0.38 N ATOM 19 CA ARG A 121 13.254 2.655 2.586 1.00 0.33 C ATOM 20 C ARG A 121 11.921 3.232 2.141 1.00 0.25 C ATOM 21 O ARG A 121 10.864 2.777 2.579 1.00 0.26 O ATOM 22 CB ARG A 121 13.755 3.384 3.834 1.00 0.41 C ATOM 23 CG ARG A 121 14.920 2.690 4.523 1.00 1.22 C ATOM 24 CD ARG A 121 14.530 1.307 5.028 1.00 2.04 C ATOM 25 NE ARG A 121 15.602 0.678 5.795 1.00 3.05 N ATOM 26 CZ ARG A 121 15.619 -0.608 6.145 1.00 3.89 C ATOM 27 NH1 ARG A 121 14.622 -1.412 5.806 1.00 3.88 N ATOM 28 NH2 ARG A 121 16.636 -1.089 6.843 1.00 4.83 N ATOM 0 H ARG A 121 14.839 3.558 1.557 1.00 0.38 H new ATOM 0 HA ARG A 121 13.116 1.603 2.835 1.00 0.33 H new ATOM 0 HB2 ARG A 121 14.058 4.394 3.557 1.00 0.41 H new ATOM 0 HB3 ARG A 121 12.932 3.481 4.542 1.00 0.41 H new ATOM 0 HG2 ARG A 121 15.755 2.602 3.827 1.00 1.22 H new ATOM 0 HG3 ARG A 121 15.264 3.299 5.359 1.00 1.22 H new ATOM 0 HD2 ARG A 121 13.639 1.387 5.650 1.00 2.04 H new ATOM 0 HD3 ARG A 121 14.271 0.672 4.181 1.00 2.04 H new ATOM 0 HE ARG A 121 16.389 1.261 6.081 1.00 3.05 H new ATOM 0 HH11 ARG A 121 13.832 -1.048 5.273 1.00 3.88 H new ATOM 0 HH12 ARG A 121 14.644 -2.395 6.078 1.00 3.88 H new ATOM 0 HH21 ARG A 121 17.405 -0.476 7.112 1.00 4.83 H new ATOM 0 HH22 ARG A 121 16.650 -2.073 7.112 1.00 4.83 H new ATOM 42 N GLN A 122 11.978 4.225 1.260 1.00 0.25 N ATOM 43 CA GLN A 122 10.770 4.832 0.722 1.00 0.22 C ATOM 44 C GLN A 122 9.970 3.811 -0.075 1.00 0.13 C ATOM 45 O GLN A 122 8.823 3.527 0.253 1.00 0.11 O ATOM 46 CB GLN A 122 11.098 6.040 -0.158 1.00 0.28 C ATOM 47 CG GLN A 122 9.878 6.600 -0.874 1.00 0.33 C ATOM 48 CD GLN A 122 10.187 7.792 -1.730 1.00 1.07 C ATOM 49 OE1 GLN A 122 10.582 7.655 -2.887 1.00 2.08 O ATOM 50 NE2 GLN A 122 9.969 8.965 -1.195 1.00 1.48 N ATOM 0 H GLN A 122 12.847 4.625 0.905 1.00 0.25 H new ATOM 0 HA GLN A 122 10.170 5.177 1.564 1.00 0.22 H new ATOM 0 HB2 GLN A 122 11.542 6.822 0.458 1.00 0.28 H new ATOM 0 HB3 GLN A 122 11.846 5.753 -0.897 1.00 0.28 H new ATOM 0 HG2 GLN A 122 9.440 5.819 -1.495 1.00 0.33 H new ATOM 0 HG3 GLN A 122 9.127 6.878 -0.134 1.00 0.33 H new ATOM 0 HE21 GLN A 122 9.641 9.033 -0.231 1.00 1.48 H new ATOM 0 HE22 GLN A 122 10.126 9.812 -1.741 1.00 1.48 H new ATOM 59 N VAL A 123 10.584 3.244 -1.106 1.00 0.12 N ATOM 60 CA VAL A 123 9.907 2.257 -1.941 1.00 0.08 C ATOM 61 C VAL A 123 9.448 1.065 -1.100 1.00 0.05 C ATOM 62 O VAL A 123 8.391 0.489 -1.340 1.00 0.05 O ATOM 63 CB VAL A 123 10.806 1.765 -3.099 1.00 0.13 C ATOM 64 CG1 VAL A 123 12.064 1.079 -2.582 1.00 0.16 C ATOM 65 CG2 VAL A 123 10.022 0.835 -4.005 1.00 0.14 C ATOM 0 H VAL A 123 11.544 3.448 -1.384 1.00 0.12 H new ATOM 0 HA VAL A 123 9.037 2.749 -2.377 1.00 0.08 H new ATOM 0 HB VAL A 123 11.124 2.636 -3.672 1.00 0.13 H new ATOM 0 HG11 VAL A 123 12.670 0.747 -3.425 1.00 0.16 H new ATOM 0 HG12 VAL A 123 12.638 1.780 -1.976 1.00 0.16 H new ATOM 0 HG13 VAL A 123 11.785 0.218 -1.974 1.00 0.16 H new ATOM 0 HG21 VAL A 123 10.663 0.493 -4.818 1.00 0.14 H new ATOM 0 HG22 VAL A 123 9.674 -0.024 -3.431 1.00 0.14 H new ATOM 0 HG23 VAL A 123 9.165 1.367 -4.418 1.00 0.14 H new ATOM 75 N GLU A 124 10.245 0.737 -0.097 1.00 0.07 N ATOM 76 CA GLU A 124 9.953 -0.346 0.830 1.00 0.08 C ATOM 77 C GLU A 124 8.620 -0.125 1.551 1.00 0.05 C ATOM 78 O GLU A 124 7.885 -1.075 1.812 1.00 0.09 O ATOM 79 CB GLU A 124 11.095 -0.454 1.840 1.00 0.14 C ATOM 80 CG GLU A 124 10.936 -1.559 2.863 1.00 1.00 C ATOM 81 CD GLU A 124 12.114 -1.624 3.807 1.00 1.33 C ATOM 82 OE1 GLU A 124 12.203 -0.774 4.718 1.00 2.28 O ATOM 83 OE2 GLU A 124 12.950 -2.538 3.657 1.00 1.43 O ATOM 0 H GLU A 124 11.122 1.219 0.099 1.00 0.07 H new ATOM 0 HA GLU A 124 9.865 -1.276 0.268 1.00 0.08 H new ATOM 0 HB2 GLU A 124 12.027 -0.612 1.298 1.00 0.14 H new ATOM 0 HB3 GLU A 124 11.188 0.497 2.365 1.00 0.14 H new ATOM 0 HG2 GLU A 124 10.022 -1.397 3.434 1.00 1.00 H new ATOM 0 HG3 GLU A 124 10.827 -2.515 2.351 1.00 1.00 H new ATOM 90 N LEU A 125 8.308 1.121 1.876 1.00 0.03 N ATOM 91 CA LEU A 125 7.048 1.423 2.538 1.00 0.05 C ATOM 92 C LEU A 125 5.959 1.732 1.508 1.00 0.05 C ATOM 93 O LEU A 125 4.782 1.531 1.763 1.00 0.09 O ATOM 94 CB LEU A 125 7.223 2.577 3.538 1.00 0.07 C ATOM 95 CG LEU A 125 7.551 3.948 2.940 1.00 0.06 C ATOM 96 CD1 LEU A 125 6.278 4.694 2.575 1.00 0.13 C ATOM 97 CD2 LEU A 125 8.392 4.764 3.908 1.00 0.09 C ATOM 0 H LEU A 125 8.902 1.930 1.695 1.00 0.03 H new ATOM 0 HA LEU A 125 6.732 0.545 3.101 1.00 0.05 H new ATOM 0 HB2 LEU A 125 6.306 2.668 4.120 1.00 0.07 H new ATOM 0 HB3 LEU A 125 8.017 2.309 4.235 1.00 0.07 H new ATOM 0 HG LEU A 125 8.128 3.795 2.028 1.00 0.06 H new ATOM 0 HD11 LEU A 125 6.534 5.665 2.152 1.00 0.13 H new ATOM 0 HD12 LEU A 125 5.715 4.116 1.842 1.00 0.13 H new ATOM 0 HD13 LEU A 125 5.671 4.836 3.469 1.00 0.13 H new ATOM 0 HD21 LEU A 125 8.616 5.735 3.466 1.00 0.09 H new ATOM 0 HD22 LEU A 125 7.841 4.906 4.838 1.00 0.09 H new ATOM 0 HD23 LEU A 125 9.323 4.237 4.115 1.00 0.09 H new ATOM 109 N GLU A 126 6.356 2.204 0.337 1.00 0.04 N ATOM 110 CA GLU A 126 5.397 2.516 -0.719 1.00 0.05 C ATOM 111 C GLU A 126 4.828 1.247 -1.308 1.00 0.04 C ATOM 112 O GLU A 126 3.638 1.158 -1.600 1.00 0.05 O ATOM 113 CB GLU A 126 6.074 3.322 -1.811 1.00 0.06 C ATOM 114 CG GLU A 126 6.470 4.702 -1.357 1.00 0.13 C ATOM 115 CD GLU A 126 5.360 5.713 -1.541 1.00 0.47 C ATOM 116 OE1 GLU A 126 5.179 6.196 -2.674 1.00 0.81 O ATOM 117 OE2 GLU A 126 4.665 6.038 -0.560 1.00 0.74 O ATOM 0 H GLU A 126 7.330 2.380 0.091 1.00 0.04 H new ATOM 0 HA GLU A 126 4.585 3.100 -0.287 1.00 0.05 H new ATOM 0 HB2 GLU A 126 6.961 2.789 -2.153 1.00 0.06 H new ATOM 0 HB3 GLU A 126 5.402 3.404 -2.665 1.00 0.06 H new ATOM 0 HG2 GLU A 126 6.755 4.667 -0.305 1.00 0.13 H new ATOM 0 HG3 GLU A 126 7.349 5.026 -1.915 1.00 0.13 H new ATOM 124 N ARG A 127 5.704 0.275 -1.478 1.00 0.03 N ATOM 125 CA ARG A 127 5.328 -1.029 -2.005 1.00 0.04 C ATOM 126 C ARG A 127 4.233 -1.662 -1.149 1.00 0.03 C ATOM 127 O ARG A 127 3.299 -2.268 -1.674 1.00 0.05 O ATOM 128 CB ARG A 127 6.550 -1.955 -2.075 1.00 0.04 C ATOM 129 CG ARG A 127 7.082 -2.380 -0.718 1.00 0.06 C ATOM 130 CD ARG A 127 8.148 -3.455 -0.838 1.00 0.12 C ATOM 131 NE ARG A 127 7.601 -4.718 -1.328 1.00 1.21 N ATOM 132 CZ ARG A 127 8.191 -5.900 -1.164 1.00 1.61 C ATOM 133 NH1 ARG A 127 9.373 -5.977 -0.565 1.00 1.38 N ATOM 134 NH2 ARG A 127 7.605 -7.004 -1.612 1.00 2.65 N ATOM 0 H ARG A 127 6.696 0.364 -1.256 1.00 0.03 H new ATOM 0 HA ARG A 127 4.940 -0.889 -3.014 1.00 0.04 H new ATOM 0 HB2 ARG A 127 6.286 -2.846 -2.645 1.00 0.04 H new ATOM 0 HB3 ARG A 127 7.345 -1.450 -2.623 1.00 0.04 H new ATOM 0 HG2 ARG A 127 7.497 -1.513 -0.203 1.00 0.06 H new ATOM 0 HG3 ARG A 127 6.260 -2.751 -0.106 1.00 0.06 H new ATOM 0 HD2 ARG A 127 8.932 -3.114 -1.514 1.00 0.12 H new ATOM 0 HD3 ARG A 127 8.613 -3.615 0.135 1.00 0.12 H new ATOM 0 HE ARG A 127 6.712 -4.693 -1.827 1.00 1.21 H new ATOM 0 HH11 ARG A 127 9.831 -5.130 -0.229 1.00 1.38 H new ATOM 0 HH12 ARG A 127 9.823 -6.884 -0.440 1.00 1.38 H new ATOM 0 HH21 ARG A 127 6.702 -6.947 -2.082 1.00 2.65 H new ATOM 0 HH22 ARG A 127 8.058 -7.909 -1.486 1.00 2.65 H new ATOM 148 N GLU A 128 4.333 -1.498 0.169 1.00 0.03 N ATOM 149 CA GLU A 128 3.329 -2.045 1.065 1.00 0.03 C ATOM 150 C GLU A 128 2.076 -1.184 1.039 1.00 0.04 C ATOM 151 O GLU A 128 0.973 -1.715 0.970 1.00 0.07 O ATOM 152 CB GLU A 128 3.861 -2.191 2.495 1.00 0.07 C ATOM 153 CG GLU A 128 4.344 -0.906 3.117 1.00 0.09 C ATOM 154 CD GLU A 128 4.608 -1.040 4.599 1.00 0.24 C ATOM 155 OE1 GLU A 128 5.713 -1.486 4.971 1.00 0.39 O ATOM 156 OE2 GLU A 128 3.713 -0.711 5.400 1.00 0.42 O ATOM 0 H GLU A 128 5.091 -0.996 0.631 1.00 0.03 H new ATOM 0 HA GLU A 128 3.076 -3.045 0.712 1.00 0.03 H new ATOM 0 HB2 GLU A 128 3.073 -2.609 3.121 1.00 0.07 H new ATOM 0 HB3 GLU A 128 4.681 -2.909 2.492 1.00 0.07 H new ATOM 0 HG2 GLU A 128 5.258 -0.586 2.617 1.00 0.09 H new ATOM 0 HG3 GLU A 128 3.601 -0.126 2.953 1.00 0.09 H new ATOM 163 N LEU A 129 2.246 0.142 1.069 1.00 0.03 N ATOM 164 CA LEU A 129 1.116 1.060 0.960 1.00 0.05 C ATOM 165 C LEU A 129 0.271 0.705 -0.256 1.00 0.06 C ATOM 166 O LEU A 129 -0.929 0.460 -0.142 1.00 0.09 O ATOM 167 CB LEU A 129 1.600 2.505 0.840 1.00 0.06 C ATOM 168 CG LEU A 129 2.388 3.048 2.031 1.00 0.09 C ATOM 169 CD1 LEU A 129 2.921 4.430 1.717 1.00 0.11 C ATOM 170 CD2 LEU A 129 1.524 3.078 3.284 1.00 0.14 C ATOM 0 H LEU A 129 3.153 0.599 1.168 1.00 0.03 H new ATOM 0 HA LEU A 129 0.513 0.966 1.863 1.00 0.05 H new ATOM 0 HB2 LEU A 129 2.224 2.586 -0.050 1.00 0.06 H new ATOM 0 HB3 LEU A 129 0.733 3.146 0.681 1.00 0.06 H new ATOM 0 HG LEU A 129 3.231 2.383 2.220 1.00 0.09 H new ATOM 0 HD11 LEU A 129 3.481 4.807 2.573 1.00 0.11 H new ATOM 0 HD12 LEU A 129 3.577 4.378 0.848 1.00 0.11 H new ATOM 0 HD13 LEU A 129 2.089 5.101 1.504 1.00 0.11 H new ATOM 0 HD21 LEU A 129 2.107 3.468 4.118 1.00 0.14 H new ATOM 0 HD22 LEU A 129 0.659 3.719 3.114 1.00 0.14 H new ATOM 0 HD23 LEU A 129 1.187 2.068 3.518 1.00 0.14 H new ATOM 182 N ALA A 130 0.927 0.632 -1.408 1.00 0.07 N ATOM 183 CA ALA A 130 0.265 0.318 -2.666 1.00 0.11 C ATOM 184 C ALA A 130 -0.394 -1.058 -2.627 1.00 0.14 C ATOM 185 O ALA A 130 -1.357 -1.312 -3.348 1.00 0.19 O ATOM 186 CB ALA A 130 1.268 0.384 -3.807 1.00 0.13 C ATOM 0 H ALA A 130 1.931 0.789 -1.495 1.00 0.07 H new ATOM 0 HA ALA A 130 -0.520 1.057 -2.826 1.00 0.11 H new ATOM 0 HB1 ALA A 130 0.767 0.148 -4.746 1.00 0.13 H new ATOM 0 HB2 ALA A 130 1.690 1.387 -3.863 1.00 0.13 H new ATOM 0 HB3 ALA A 130 2.067 -0.336 -3.631 1.00 0.13 H new ATOM 192 N GLU A 131 0.119 -1.934 -1.774 1.00 0.14 N ATOM 193 CA GLU A 131 -0.406 -3.283 -1.646 1.00 0.18 C ATOM 194 C GLU A 131 -1.776 -3.243 -0.973 1.00 0.22 C ATOM 195 O GLU A 131 -2.723 -3.892 -1.421 1.00 0.26 O ATOM 196 CB GLU A 131 0.605 -4.140 -0.864 1.00 0.17 C ATOM 197 CG GLU A 131 0.070 -4.805 0.398 1.00 0.23 C ATOM 198 CD GLU A 131 -0.770 -6.039 0.121 1.00 0.35 C ATOM 199 OE1 GLU A 131 -0.517 -6.723 -0.892 1.00 0.55 O ATOM 200 OE2 GLU A 131 -1.674 -6.342 0.929 1.00 0.56 O ATOM 0 H GLU A 131 0.905 -1.730 -1.156 1.00 0.14 H new ATOM 0 HA GLU A 131 -0.544 -3.736 -2.628 1.00 0.18 H new ATOM 0 HB2 GLU A 131 0.986 -4.916 -1.528 1.00 0.17 H new ATOM 0 HB3 GLU A 131 1.452 -3.511 -0.590 1.00 0.17 H new ATOM 0 HG2 GLU A 131 0.909 -5.082 1.037 1.00 0.23 H new ATOM 0 HG3 GLU A 131 -0.530 -4.084 0.953 1.00 0.23 H new ATOM 207 N LEU A 132 -1.883 -2.452 0.088 1.00 0.21 N ATOM 208 CA LEU A 132 -3.151 -2.291 0.788 1.00 0.25 C ATOM 209 C LEU A 132 -4.132 -1.543 -0.093 1.00 0.29 C ATOM 210 O LEU A 132 -5.324 -1.848 -0.127 1.00 0.35 O ATOM 211 CB LEU A 132 -2.959 -1.526 2.092 1.00 0.25 C ATOM 212 CG LEU A 132 -1.810 -2.014 2.957 1.00 0.23 C ATOM 213 CD1 LEU A 132 -0.802 -0.900 3.106 1.00 0.19 C ATOM 214 CD2 LEU A 132 -2.311 -2.484 4.312 1.00 0.32 C ATOM 0 H LEU A 132 -1.110 -1.914 0.481 1.00 0.21 H new ATOM 0 HA LEU A 132 -3.542 -3.282 1.019 1.00 0.25 H new ATOM 0 HB2 LEU A 132 -2.797 -0.474 1.858 1.00 0.25 H new ATOM 0 HB3 LEU A 132 -3.881 -1.586 2.670 1.00 0.25 H new ATOM 0 HG LEU A 132 -1.333 -2.869 2.477 1.00 0.23 H new ATOM 0 HD11 LEU A 132 0.028 -1.240 3.726 1.00 0.19 H new ATOM 0 HD12 LEU A 132 -0.427 -0.615 2.123 1.00 0.19 H new ATOM 0 HD13 LEU A 132 -1.278 -0.040 3.577 1.00 0.19 H new ATOM 0 HD21 LEU A 132 -1.469 -2.828 4.912 1.00 0.32 H new ATOM 0 HD22 LEU A 132 -2.807 -1.659 4.823 1.00 0.32 H new ATOM 0 HD23 LEU A 132 -3.017 -3.303 4.175 1.00 0.32 H new ATOM 226 N ARG A 133 -3.605 -0.558 -0.804 1.00 0.28 N ATOM 227 CA ARG A 133 -4.380 0.237 -1.734 1.00 0.34 C ATOM 228 C ARG A 133 -4.940 -0.614 -2.865 1.00 0.40 C ATOM 229 O ARG A 133 -6.015 -0.339 -3.394 1.00 0.47 O ATOM 230 CB ARG A 133 -3.478 1.319 -2.296 1.00 0.31 C ATOM 231 CG ARG A 133 -2.946 2.268 -1.246 1.00 0.29 C ATOM 232 CD ARG A 133 -4.050 3.044 -0.555 1.00 1.03 C ATOM 233 NE ARG A 133 -4.905 3.765 -1.495 1.00 1.74 N ATOM 234 CZ ARG A 133 -6.186 4.052 -1.263 1.00 2.61 C ATOM 235 NH1 ARG A 133 -6.752 3.699 -0.114 1.00 3.04 N ATOM 236 NH2 ARG A 133 -6.896 4.700 -2.176 1.00 3.48 N ATOM 0 H ARG A 133 -2.623 -0.289 -0.749 1.00 0.28 H new ATOM 0 HA ARG A 133 -5.228 0.676 -1.209 1.00 0.34 H new ATOM 0 HB2 ARG A 133 -2.638 0.850 -2.809 1.00 0.31 H new ATOM 0 HB3 ARG A 133 -4.030 1.889 -3.043 1.00 0.31 H new ATOM 0 HG2 ARG A 133 -2.382 1.704 -0.503 1.00 0.29 H new ATOM 0 HG3 ARG A 133 -2.251 2.967 -1.711 1.00 0.29 H new ATOM 0 HD2 ARG A 133 -4.660 2.356 0.031 1.00 1.03 H new ATOM 0 HD3 ARG A 133 -3.607 3.753 0.145 1.00 1.03 H new ATOM 0 HE ARG A 133 -4.498 4.066 -2.380 1.00 1.74 H new ATOM 0 HH11 ARG A 133 -6.206 3.207 0.593 1.00 3.04 H new ATOM 0 HH12 ARG A 133 -7.732 3.920 0.061 1.00 3.04 H new ATOM 0 HH21 ARG A 133 -6.462 4.979 -3.056 1.00 3.48 H new ATOM 0 HH22 ARG A 133 -7.876 4.920 -1.998 1.00 3.48 H new ATOM 250 N ALA A 134 -4.194 -1.640 -3.237 1.00 0.41 N ATOM 251 CA ALA A 134 -4.602 -2.549 -4.297 1.00 0.49 C ATOM 252 C ALA A 134 -5.784 -3.403 -3.862 1.00 0.60 C ATOM 253 O ALA A 134 -6.597 -3.823 -4.688 1.00 0.80 O ATOM 254 CB ALA A 134 -3.434 -3.429 -4.702 1.00 0.47 C ATOM 0 H ALA A 134 -3.293 -1.867 -2.816 1.00 0.41 H new ATOM 0 HA ALA A 134 -4.916 -1.956 -5.156 1.00 0.49 H new ATOM 0 HB1 ALA A 134 -3.747 -4.107 -5.496 1.00 0.47 H new ATOM 0 HB2 ALA A 134 -2.615 -2.805 -5.060 1.00 0.47 H new ATOM 0 HB3 ALA A 134 -3.099 -4.008 -3.841 1.00 0.47 H new ATOM 260 N ARG A 135 -5.879 -3.653 -2.564 1.00 0.53 N ATOM 261 CA ARG A 135 -6.959 -4.446 -2.015 1.00 0.63 C ATOM 262 C ARG A 135 -8.254 -3.646 -2.003 1.00 0.85 C ATOM 263 O ARG A 135 -8.242 -2.416 -1.941 1.00 0.93 O ATOM 264 CB ARG A 135 -6.595 -4.905 -0.606 1.00 0.61 C ATOM 265 CG ARG A 135 -5.396 -5.834 -0.588 1.00 0.73 C ATOM 266 CD ARG A 135 -4.676 -5.814 0.747 1.00 1.15 C ATOM 267 NE ARG A 135 -5.403 -6.512 1.804 1.00 1.91 N ATOM 268 CZ ARG A 135 -4.813 -7.036 2.876 1.00 2.55 C ATOM 269 NH1 ARG A 135 -3.489 -7.011 2.987 1.00 2.67 N ATOM 270 NH2 ARG A 135 -5.543 -7.605 3.824 1.00 3.53 N ATOM 0 H ARG A 135 -5.213 -3.313 -1.870 1.00 0.53 H new ATOM 0 HA ARG A 135 -7.111 -5.324 -2.643 1.00 0.63 H new ATOM 0 HB2 ARG A 135 -6.384 -4.033 0.013 1.00 0.61 H new ATOM 0 HB3 ARG A 135 -7.450 -5.413 -0.161 1.00 0.61 H new ATOM 0 HG2 ARG A 135 -5.723 -6.850 -0.808 1.00 0.73 H new ATOM 0 HG3 ARG A 135 -4.702 -5.545 -1.377 1.00 0.73 H new ATOM 0 HD2 ARG A 135 -3.693 -6.270 0.629 1.00 1.15 H new ATOM 0 HD3 ARG A 135 -4.513 -4.779 1.049 1.00 1.15 H new ATOM 0 HE ARG A 135 -6.415 -6.603 1.716 1.00 1.91 H new ATOM 0 HH11 ARG A 135 -2.923 -6.590 2.250 1.00 2.67 H new ATOM 0 HH12 ARG A 135 -3.038 -7.413 3.809 1.00 2.67 H new ATOM 0 HH21 ARG A 135 -6.558 -7.642 3.733 1.00 3.53 H new ATOM 0 HH22 ARG A 135 -5.090 -8.006 4.645 1.00 3.53 H new ATOM 284 N PRO A 136 -9.382 -4.348 -2.065 1.00 1.05 N ATOM 285 CA PRO A 136 -10.696 -3.730 -2.131 1.00 1.38 C ATOM 286 C PRO A 136 -11.177 -3.288 -0.757 1.00 1.44 C ATOM 287 O PRO A 136 -11.372 -4.108 0.141 1.00 1.36 O ATOM 288 CB PRO A 136 -11.577 -4.850 -2.688 1.00 1.53 C ATOM 289 CG PRO A 136 -10.907 -6.124 -2.278 1.00 1.32 C ATOM 290 CD PRO A 136 -9.447 -5.809 -2.047 1.00 1.05 C ATOM 0 HA PRO A 136 -10.709 -2.826 -2.740 1.00 1.38 H new ATOM 0 HB2 PRO A 136 -12.588 -4.791 -2.286 1.00 1.53 H new ATOM 0 HB3 PRO A 136 -11.661 -4.781 -3.773 1.00 1.53 H new ATOM 0 HG2 PRO A 136 -11.362 -6.523 -1.372 1.00 1.32 H new ATOM 0 HG3 PRO A 136 -11.019 -6.883 -3.052 1.00 1.32 H new ATOM 0 HD2 PRO A 136 -9.100 -6.210 -1.095 1.00 1.05 H new ATOM 0 HD3 PRO A 136 -8.819 -6.244 -2.824 1.00 1.05 H new ATOM 298 N LYS A 137 -11.375 -1.993 -0.603 1.00 1.71 N ATOM 299 CA LYS A 137 -11.758 -1.426 0.678 1.00 1.92 C ATOM 300 C LYS A 137 -12.760 -0.300 0.476 1.00 2.33 C ATOM 301 O LYS A 137 -12.734 0.384 -0.549 1.00 2.38 O ATOM 302 CB LYS A 137 -10.523 -0.910 1.426 1.00 1.82 C ATOM 303 CG LYS A 137 -9.553 -2.009 1.838 1.00 1.55 C ATOM 304 CD LYS A 137 -8.407 -1.459 2.668 1.00 2.12 C ATOM 305 CE LYS A 137 -7.474 -2.568 3.128 1.00 2.57 C ATOM 306 NZ LYS A 137 -6.431 -2.061 4.059 1.00 2.91 N ATOM 0 H LYS A 137 -11.276 -1.309 -1.353 1.00 1.71 H new ATOM 0 HA LYS A 137 -12.225 -2.207 1.278 1.00 1.92 H new ATOM 0 HB2 LYS A 137 -9.999 -0.194 0.793 1.00 1.82 H new ATOM 0 HB3 LYS A 137 -10.847 -0.371 2.316 1.00 1.82 H new ATOM 0 HG2 LYS A 137 -10.085 -2.769 2.410 1.00 1.55 H new ATOM 0 HG3 LYS A 137 -9.157 -2.498 0.948 1.00 1.55 H new ATOM 0 HD2 LYS A 137 -7.847 -0.731 2.081 1.00 2.12 H new ATOM 0 HD3 LYS A 137 -8.804 -0.932 3.536 1.00 2.12 H new ATOM 0 HE2 LYS A 137 -8.053 -3.349 3.621 1.00 2.57 H new ATOM 0 HE3 LYS A 137 -6.997 -3.024 2.261 1.00 2.57 H new ATOM 0 HZ1 LYS A 137 -5.814 -2.846 4.350 1.00 2.91 H new ATOM 0 HZ2 LYS A 137 -5.862 -1.334 3.580 1.00 2.91 H new ATOM 0 HZ3 LYS A 137 -6.886 -1.648 4.898 1.00 2.91 H new ATOM 320 N PRO A 138 -13.659 -0.097 1.452 1.00 2.68 N ATOM 321 CA PRO A 138 -14.689 0.943 1.386 1.00 3.13 C ATOM 322 C PRO A 138 -14.120 2.332 1.639 1.00 3.34 C ATOM 323 O PRO A 138 -14.626 3.081 2.479 1.00 3.73 O ATOM 324 CB PRO A 138 -15.655 0.547 2.500 1.00 3.41 C ATOM 325 CG PRO A 138 -14.811 -0.169 3.494 1.00 3.26 C ATOM 326 CD PRO A 138 -13.746 -0.877 2.703 1.00 2.74 C ATOM 0 HA PRO A 138 -15.154 1.002 0.402 1.00 3.13 H new ATOM 0 HB2 PRO A 138 -16.131 1.423 2.942 1.00 3.41 H new ATOM 0 HB3 PRO A 138 -16.453 -0.093 2.123 1.00 3.41 H new ATOM 0 HG2 PRO A 138 -14.369 0.529 4.205 1.00 3.26 H new ATOM 0 HG3 PRO A 138 -15.405 -0.878 4.071 1.00 3.26 H new ATOM 0 HD2 PRO A 138 -12.794 -0.888 3.234 1.00 2.74 H new ATOM 0 HD3 PRO A 138 -14.015 -1.915 2.509 1.00 2.74 H new ATOM 334 N ASP A 139 -13.075 2.659 0.890 1.00 3.13 N ATOM 335 CA ASP A 139 -12.357 3.922 1.026 1.00 3.36 C ATOM 336 C ASP A 139 -11.728 4.034 2.408 1.00 3.32 C ATOM 337 O ASP A 139 -12.314 4.594 3.334 1.00 3.52 O ATOM 338 CB ASP A 139 -13.271 5.118 0.762 1.00 3.55 C ATOM 339 CG ASP A 139 -12.527 6.433 0.859 1.00 3.73 C ATOM 340 OD1 ASP A 139 -11.770 6.759 -0.080 1.00 4.05 O ATOM 341 OD2 ASP A 139 -12.694 7.145 1.875 1.00 4.05 O ATOM 0 H ASP A 139 -12.698 2.050 0.164 1.00 3.13 H new ATOM 0 HA ASP A 139 -11.566 3.933 0.276 1.00 3.36 H new ATOM 0 HB2 ASP A 139 -13.713 5.024 -0.230 1.00 3.55 H new ATOM 0 HB3 ASP A 139 -14.092 5.112 1.479 1.00 3.55 H new ATOM 346 N GLU A 140 -10.537 3.480 2.538 1.00 3.64 N ATOM 347 CA GLU A 140 -9.819 3.491 3.798 1.00 4.17 C ATOM 348 C GLU A 140 -8.483 4.204 3.636 1.00 4.51 C ATOM 349 O GLU A 140 -7.487 3.590 3.255 1.00 5.18 O ATOM 350 CB GLU A 140 -9.593 2.057 4.281 1.00 4.94 C ATOM 351 CG GLU A 140 -10.878 1.296 4.577 1.00 5.46 C ATOM 352 CD GLU A 140 -11.562 1.761 5.847 1.00 5.86 C ATOM 353 OE1 GLU A 140 -11.260 1.199 6.923 1.00 6.40 O ATOM 354 OE2 GLU A 140 -12.407 2.675 5.778 1.00 5.95 O ATOM 0 H GLU A 140 -10.043 3.012 1.778 1.00 3.64 H new ATOM 0 HA GLU A 140 -10.414 4.026 4.538 1.00 4.17 H new ATOM 0 HB2 GLU A 140 -9.027 1.514 3.524 1.00 4.94 H new ATOM 0 HB3 GLU A 140 -8.980 2.080 5.182 1.00 4.94 H new ATOM 0 HG2 GLU A 140 -11.564 1.412 3.738 1.00 5.46 H new ATOM 0 HG3 GLU A 140 -10.653 0.233 4.660 1.00 5.46 H new ATOM 361 N ARG A 141 -8.468 5.506 3.899 1.00 4.44 N ATOM 362 CA ARG A 141 -7.244 6.292 3.790 1.00 5.18 C ATOM 363 C ARG A 141 -6.249 5.875 4.860 1.00 5.93 C ATOM 364 O ARG A 141 -5.118 5.489 4.561 1.00 6.44 O ATOM 365 CB ARG A 141 -7.538 7.788 3.916 1.00 5.74 C ATOM 366 CG ARG A 141 -8.390 8.349 2.792 1.00 6.01 C ATOM 367 CD ARG A 141 -8.741 9.806 3.040 1.00 6.78 C ATOM 368 NE ARG A 141 -7.552 10.644 3.169 1.00 7.19 N ATOM 369 CZ ARG A 141 -7.582 11.937 3.471 1.00 8.07 C ATOM 370 NH1 ARG A 141 -8.744 12.548 3.668 1.00 8.61 N ATOM 371 NH2 ARG A 141 -6.448 12.619 3.572 1.00 8.64 N ATOM 0 H ARG A 141 -9.288 6.039 4.189 1.00 4.44 H new ATOM 0 HA ARG A 141 -6.814 6.104 2.806 1.00 5.18 H new ATOM 0 HB2 ARG A 141 -8.042 7.970 4.865 1.00 5.74 H new ATOM 0 HB3 ARG A 141 -6.594 8.332 3.948 1.00 5.74 H new ATOM 0 HG2 ARG A 141 -7.855 8.257 1.847 1.00 6.01 H new ATOM 0 HG3 ARG A 141 -9.304 7.763 2.699 1.00 6.01 H new ATOM 0 HD2 ARG A 141 -9.356 10.175 2.219 1.00 6.78 H new ATOM 0 HD3 ARG A 141 -9.339 9.885 3.948 1.00 6.78 H new ATOM 0 HE ARG A 141 -6.642 10.209 3.018 1.00 7.19 H new ATOM 0 HH11 ARG A 141 -9.616 12.024 3.588 1.00 8.61 H new ATOM 0 HH12 ARG A 141 -8.765 13.541 3.900 1.00 8.61 H new ATOM 0 HH21 ARG A 141 -5.555 12.150 3.418 1.00 8.64 H new ATOM 0 HH22 ARG A 141 -6.469 13.612 3.804 1.00 8.64 H new ATOM 385 N ALA A 142 -6.690 5.950 6.101 1.00 6.32 N ATOM 386 CA ALA A 142 -5.869 5.584 7.243 1.00 7.28 C ATOM 387 C ALA A 142 -6.742 5.437 8.479 1.00 7.83 C ATOM 388 O ALA A 142 -6.906 6.430 9.217 1.00 8.05 O ATOM 389 CB ALA A 142 -4.777 6.624 7.477 1.00 7.79 C ATOM 390 OXT ALA A 142 -7.291 4.336 8.692 1.00 8.28 O ATOM 0 H ALA A 142 -7.628 6.266 6.348 1.00 6.32 H new ATOM 0 HA ALA A 142 -5.386 4.629 7.037 1.00 7.28 H new ATOM 0 HB1 ALA A 142 -4.174 6.331 8.336 1.00 7.79 H new ATOM 0 HB2 ALA A 142 -4.142 6.690 6.593 1.00 7.79 H new ATOM 0 HB3 ALA A 142 -5.234 7.595 7.669 1.00 7.79 H new TER 396 ALA A 142