USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 669 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 110 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 113 GLN : amide:sc= 0.848 K(o=1.2,f=-2.8!) USER MOD Set 1.3: A 118 SER OG : rot 180:sc= 0.327 USER MOD Set 2.1: A 58 HIS : no HE2:sc= -0.225 K(o=-3.6,f=-7.9!) USER MOD Set 2.2: A 66 THR OG1 : rot 180:sc= -0.234 USER MOD Set 2.3: A 67 HIS : no HE2:sc= -2.08! K(o=-3.6!,f=-5.4) USER MOD Set 2.4: A 102 HIS : no HE2:sc= -1.02 K(o=-3.6,f=-4.3) USER MOD Single : A 38 THR OG1 : rot 82:sc= 0.724 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.645 K(o=-0.65,f=-5.4!) USER MOD Single : A 55 SER OG : rot -99:sc= 0.4 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 120:sc= 0.289 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0.267 USER MOD Single : A 84 GLN : amide:sc= 0.662 K(o=0.66,f=-4.3!) USER MOD Single : A 86 HIS : no HE2:sc= -1.32 K(o=-1.3,f=-3.7!) USER MOD Single : A 90 HIS : no HE2:sc= -0.651 K(o=-0.65,f=-1.7) USER MOD Single : A 107 GLN : amide:sc= 0.917 K(o=0.92,f=-5.1!) USER MOD Single : A 117 ASN : amide:sc= -0.0279 X(o=-0.028,f=-0.43) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 31 -1.900 12.079 8.593 1.00 1.41 N ATOM 2 CA PRO A 31 -1.040 11.863 7.428 1.00 1.25 C ATOM 3 C PRO A 31 -1.400 10.552 6.705 1.00 1.03 C ATOM 4 O PRO A 31 -1.883 9.611 7.349 1.00 0.97 O ATOM 5 CB PRO A 31 0.391 11.850 7.984 1.00 1.34 C ATOM 6 CG PRO A 31 0.299 12.687 9.255 1.00 1.76 C ATOM 7 CD PRO A 31 -1.084 12.315 9.778 1.00 1.52 C ATOM 0 HA PRO A 31 -1.161 12.642 6.675 1.00 1.25 H new ATOM 0 HB2 PRO A 31 0.727 10.835 8.197 1.00 1.34 H new ATOM 0 HB3 PRO A 31 1.099 12.278 7.274 1.00 1.34 H new ATOM 0 HG2 PRO A 31 1.086 12.436 9.967 1.00 1.76 H new ATOM 0 HG3 PRO A 31 0.384 13.754 9.048 1.00 1.76 H new ATOM 0 HD2 PRO A 31 -1.039 11.426 10.407 1.00 1.52 H new ATOM 0 HD3 PRO A 31 -1.501 13.116 10.388 1.00 1.52 H new ATOM 15 N VAL A 32 -1.184 10.470 5.385 1.00 1.02 N ATOM 16 CA VAL A 32 -1.697 9.362 4.544 1.00 1.02 C ATOM 17 C VAL A 32 -1.225 7.979 4.988 1.00 0.92 C ATOM 18 O VAL A 32 -1.929 6.990 4.793 1.00 0.95 O ATOM 19 CB VAL A 32 -1.366 9.528 3.043 1.00 1.22 C ATOM 20 CG1 VAL A 32 -1.858 10.870 2.505 1.00 2.11 C ATOM 21 CG2 VAL A 32 0.123 9.388 2.702 1.00 1.89 C ATOM 0 H VAL A 32 -0.650 11.165 4.864 1.00 1.02 H new ATOM 0 HA VAL A 32 -2.776 9.425 4.684 1.00 1.02 H new ATOM 0 HB VAL A 32 -1.893 8.704 2.563 1.00 1.22 H new ATOM 0 HG11 VAL A 32 -1.608 10.952 1.447 1.00 2.11 H new ATOM 0 HG12 VAL A 32 -2.939 10.937 2.629 1.00 2.11 H new ATOM 0 HG13 VAL A 32 -1.379 11.680 3.055 1.00 2.11 H new ATOM 0 HG21 VAL A 32 0.264 9.519 1.629 1.00 1.89 H new ATOM 0 HG22 VAL A 32 0.692 10.148 3.238 1.00 1.89 H new ATOM 0 HG23 VAL A 32 0.472 8.398 2.996 1.00 1.89 H new ATOM 31 N GLU A 33 -0.057 7.893 5.620 1.00 0.87 N ATOM 32 CA GLU A 33 0.577 6.639 6.007 1.00 0.83 C ATOM 33 C GLU A 33 -0.051 6.109 7.298 1.00 0.81 C ATOM 34 O GLU A 33 -0.300 4.916 7.425 1.00 0.88 O ATOM 35 CB GLU A 33 2.115 6.824 6.020 1.00 0.84 C ATOM 36 CG GLU A 33 2.770 7.170 7.364 1.00 1.09 C ATOM 37 CD GLU A 33 4.023 8.053 7.256 1.00 1.24 C ATOM 38 OE1 GLU A 33 3.887 9.300 7.221 1.00 2.14 O ATOM 39 OE2 GLU A 33 5.161 7.528 7.297 1.00 2.13 O ATOM 0 H GLU A 33 0.487 8.715 5.883 1.00 0.87 H new ATOM 0 HA GLU A 33 0.393 5.851 5.277 1.00 0.83 H new ATOM 0 HB2 GLU A 33 2.569 5.904 5.650 1.00 0.84 H new ATOM 0 HB3 GLU A 33 2.366 7.611 5.309 1.00 0.84 H new ATOM 0 HG2 GLU A 33 2.037 7.678 7.991 1.00 1.09 H new ATOM 0 HG3 GLU A 33 3.037 6.244 7.872 1.00 1.09 H new ATOM 46 N ALA A 34 -0.427 7.013 8.203 1.00 0.79 N ATOM 47 CA ALA A 34 -1.128 6.725 9.446 1.00 0.85 C ATOM 48 C ALA A 34 -2.631 6.450 9.211 1.00 0.94 C ATOM 49 O ALA A 34 -3.225 5.546 9.820 1.00 1.03 O ATOM 50 CB ALA A 34 -0.865 7.922 10.360 1.00 0.92 C ATOM 0 H ALA A 34 -0.241 8.008 8.080 1.00 0.79 H new ATOM 0 HA ALA A 34 -0.764 5.809 9.912 1.00 0.85 H new ATOM 0 HB1 ALA A 34 -1.367 7.768 11.315 1.00 0.92 H new ATOM 0 HB2 ALA A 34 0.207 8.024 10.526 1.00 0.92 H new ATOM 0 HB3 ALA A 34 -1.248 8.829 9.891 1.00 0.92 H new ATOM 56 N ALA A 35 -3.222 7.188 8.264 1.00 0.97 N ATOM 57 CA ALA A 35 -4.555 6.928 7.732 1.00 1.04 C ATOM 58 C ALA A 35 -4.624 5.527 7.103 1.00 1.07 C ATOM 59 O ALA A 35 -5.461 4.727 7.516 1.00 1.19 O ATOM 60 CB ALA A 35 -4.915 8.038 6.737 1.00 1.09 C ATOM 0 H ALA A 35 -2.773 8.000 7.840 1.00 0.97 H new ATOM 0 HA ALA A 35 -5.291 6.939 8.536 1.00 1.04 H new ATOM 0 HB1 ALA A 35 -5.910 7.855 6.332 1.00 1.09 H new ATOM 0 HB2 ALA A 35 -4.902 9.002 7.247 1.00 1.09 H new ATOM 0 HB3 ALA A 35 -4.189 8.048 5.924 1.00 1.09 H new ATOM 66 N ILE A 36 -3.691 5.168 6.207 1.00 1.04 N ATOM 67 CA ILE A 36 -3.620 3.810 5.642 1.00 1.13 C ATOM 68 C ILE A 36 -3.362 2.759 6.720 1.00 1.15 C ATOM 69 O ILE A 36 -4.083 1.767 6.735 1.00 1.26 O ATOM 70 CB ILE A 36 -2.614 3.726 4.469 1.00 1.21 C ATOM 71 CG1 ILE A 36 -3.332 4.255 3.208 1.00 1.51 C ATOM 72 CG2 ILE A 36 -2.036 2.311 4.237 1.00 1.98 C ATOM 73 CD1 ILE A 36 -2.446 4.326 1.963 1.00 1.61 C ATOM 0 H ILE A 36 -2.973 5.802 5.857 1.00 1.04 H new ATOM 0 HA ILE A 36 -4.599 3.582 5.221 1.00 1.13 H new ATOM 0 HB ILE A 36 -1.744 4.335 4.714 1.00 1.21 H new ATOM 0 HG12 ILE A 36 -4.187 3.614 2.995 1.00 1.51 H new ATOM 0 HG13 ILE A 36 -3.724 5.250 3.418 1.00 1.51 H new ATOM 0 HG21 ILE A 36 -1.340 2.335 3.399 1.00 1.98 H new ATOM 0 HG22 ILE A 36 -1.512 1.980 5.134 1.00 1.98 H new ATOM 0 HG23 ILE A 36 -2.848 1.618 4.015 1.00 1.98 H new ATOM 0 HD11 ILE A 36 -3.028 4.707 1.124 1.00 1.61 H new ATOM 0 HD12 ILE A 36 -1.604 4.991 2.153 1.00 1.61 H new ATOM 0 HD13 ILE A 36 -2.074 3.330 1.724 1.00 1.61 H new ATOM 85 N ARG A 37 -2.410 2.968 7.644 1.00 1.08 N ATOM 86 CA ARG A 37 -2.180 2.076 8.803 1.00 1.15 C ATOM 87 C ARG A 37 -3.506 1.678 9.450 1.00 1.20 C ATOM 88 O ARG A 37 -3.852 0.497 9.495 1.00 1.30 O ATOM 89 CB ARG A 37 -1.224 2.732 9.805 1.00 1.13 C ATOM 90 CG ARG A 37 0.218 2.514 9.338 1.00 1.54 C ATOM 91 CD ARG A 37 1.163 3.360 10.180 1.00 2.80 C ATOM 92 NE ARG A 37 2.580 3.164 9.811 1.00 3.72 N ATOM 93 CZ ARG A 37 3.578 4.025 9.936 1.00 5.07 C ATOM 94 NH1 ARG A 37 3.437 5.195 10.481 1.00 5.78 N ATOM 95 NH2 ARG A 37 4.769 3.712 9.520 1.00 6.17 N ATOM 0 H ARG A 37 -1.772 3.764 7.612 1.00 1.08 H new ATOM 0 HA ARG A 37 -1.705 1.160 8.453 1.00 1.15 H new ATOM 0 HB2 ARG A 37 -1.436 3.798 9.885 1.00 1.13 H new ATOM 0 HB3 ARG A 37 -1.367 2.303 10.797 1.00 1.13 H new ATOM 0 HG2 ARG A 37 0.483 1.460 9.424 1.00 1.54 H new ATOM 0 HG3 ARG A 37 0.314 2.782 8.286 1.00 1.54 H new ATOM 0 HD2 ARG A 37 0.903 4.412 10.065 1.00 2.80 H new ATOM 0 HD3 ARG A 37 1.027 3.112 11.233 1.00 2.80 H new ATOM 0 HE ARG A 37 2.818 2.256 9.412 1.00 3.72 H new ATOM 0 HH11 ARG A 37 2.526 5.486 10.836 1.00 5.78 H new ATOM 0 HH12 ARG A 37 4.237 5.823 10.554 1.00 5.78 H new ATOM 0 HH21 ARG A 37 4.938 2.800 9.095 1.00 6.17 H new ATOM 0 HH22 ARG A 37 5.535 4.378 9.618 1.00 6.17 H new ATOM 109 N THR A 38 -4.264 2.694 9.847 1.00 1.14 N ATOM 110 CA THR A 38 -5.542 2.545 10.573 1.00 1.28 C ATOM 111 C THR A 38 -6.680 1.974 9.718 1.00 1.36 C ATOM 112 O THR A 38 -7.322 0.991 10.111 1.00 1.43 O ATOM 113 CB THR A 38 -5.949 3.897 11.172 1.00 1.36 C ATOM 114 OG1 THR A 38 -4.852 4.377 11.909 1.00 1.39 O ATOM 115 CG2 THR A 38 -7.130 3.813 12.134 1.00 1.77 C ATOM 0 H THR A 38 -4.012 3.667 9.675 1.00 1.14 H new ATOM 0 HA THR A 38 -5.371 1.813 11.363 1.00 1.28 H new ATOM 0 HB THR A 38 -6.243 4.542 10.344 1.00 1.36 H new ATOM 0 HG1 THR A 38 -4.212 4.804 11.302 1.00 1.39 H new ATOM 0 HG21 THR A 38 -7.359 4.808 12.517 1.00 1.77 H new ATOM 0 HG22 THR A 38 -7.999 3.417 11.609 1.00 1.77 H new ATOM 0 HG23 THR A 38 -6.876 3.154 12.965 1.00 1.77 H new ATOM 123 N LYS A 39 -6.928 2.557 8.539 1.00 1.39 N ATOM 124 CA LYS A 39 -8.020 2.160 7.641 1.00 1.50 C ATOM 125 C LYS A 39 -7.813 0.744 7.109 1.00 1.45 C ATOM 126 O LYS A 39 -8.767 -0.026 7.096 1.00 1.63 O ATOM 127 CB LYS A 39 -8.142 3.196 6.509 1.00 1.58 C ATOM 128 CG LYS A 39 -9.309 2.964 5.532 1.00 1.64 C ATOM 129 CD LYS A 39 -10.708 3.205 6.127 1.00 2.53 C ATOM 130 CE LYS A 39 -11.741 3.143 4.993 1.00 2.99 C ATOM 131 NZ LYS A 39 -13.115 3.500 5.419 1.00 3.60 N ATOM 0 H LYS A 39 -6.368 3.329 8.177 1.00 1.39 H new ATOM 0 HA LYS A 39 -8.958 2.141 8.195 1.00 1.50 H new ATOM 0 HB2 LYS A 39 -8.252 4.185 6.954 1.00 1.58 H new ATOM 0 HB3 LYS A 39 -7.211 3.203 5.943 1.00 1.58 H new ATOM 0 HG2 LYS A 39 -9.178 3.619 4.670 1.00 1.64 H new ATOM 0 HG3 LYS A 39 -9.258 1.939 5.164 1.00 1.64 H new ATOM 0 HD2 LYS A 39 -10.932 2.453 6.884 1.00 2.53 H new ATOM 0 HD3 LYS A 39 -10.747 4.176 6.621 1.00 2.53 H new ATOM 0 HE2 LYS A 39 -11.431 3.817 4.194 1.00 2.99 H new ATOM 0 HE3 LYS A 39 -11.749 2.136 4.576 1.00 2.99 H new ATOM 0 HZ1 LYS A 39 -13.758 3.437 4.604 1.00 3.60 H new ATOM 0 HZ2 LYS A 39 -13.430 2.843 6.161 1.00 3.60 H new ATOM 0 HZ3 LYS A 39 -13.122 4.471 5.791 1.00 3.60 H new ATOM 145 N LEU A 40 -6.588 0.358 6.736 1.00 1.25 N ATOM 146 CA LEU A 40 -6.300 -0.997 6.279 1.00 1.23 C ATOM 147 C LEU A 40 -6.247 -2.005 7.435 1.00 1.23 C ATOM 148 O LEU A 40 -6.676 -3.143 7.226 1.00 1.29 O ATOM 149 CB LEU A 40 -5.043 -1.015 5.392 1.00 1.11 C ATOM 150 CG LEU A 40 -5.211 -0.450 3.966 1.00 1.15 C ATOM 151 CD1 LEU A 40 -6.069 -1.379 3.106 1.00 1.49 C ATOM 152 CD2 LEU A 40 -5.778 0.967 3.846 1.00 1.48 C ATOM 0 H LEU A 40 -5.776 0.975 6.744 1.00 1.25 H new ATOM 0 HA LEU A 40 -7.131 -1.328 5.656 1.00 1.23 H new ATOM 0 HB2 LEU A 40 -4.260 -0.449 5.895 1.00 1.11 H new ATOM 0 HB3 LEU A 40 -4.692 -2.044 5.314 1.00 1.11 H new ATOM 0 HG LEU A 40 -4.182 -0.390 3.611 1.00 1.15 H new ATOM 0 HD11 LEU A 40 -6.172 -0.957 2.106 1.00 1.49 H new ATOM 0 HD12 LEU A 40 -5.593 -2.357 3.040 1.00 1.49 H new ATOM 0 HD13 LEU A 40 -7.055 -1.485 3.558 1.00 1.49 H new ATOM 0 HD21 LEU A 40 -5.845 1.244 2.794 1.00 1.48 H new ATOM 0 HD22 LEU A 40 -6.771 1.001 4.295 1.00 1.48 H new ATOM 0 HD23 LEU A 40 -5.122 1.667 4.364 1.00 1.48 H new ATOM 164 N GLU A 41 -5.852 -1.613 8.660 1.00 1.22 N ATOM 165 CA GLU A 41 -6.160 -2.420 9.844 1.00 1.26 C ATOM 166 C GLU A 41 -7.648 -2.766 9.934 1.00 1.33 C ATOM 167 O GLU A 41 -7.999 -3.932 10.103 1.00 1.34 O ATOM 168 CB GLU A 41 -5.757 -1.691 11.133 1.00 1.28 C ATOM 169 CG GLU A 41 -5.364 -2.680 12.230 1.00 2.15 C ATOM 170 CD GLU A 41 -6.160 -2.406 13.505 1.00 2.92 C ATOM 171 OE1 GLU A 41 -5.708 -1.577 14.332 1.00 3.21 O ATOM 172 OE2 GLU A 41 -7.273 -2.963 13.657 1.00 4.12 O ATOM 0 H GLU A 41 -5.329 -0.758 8.850 1.00 1.22 H new ATOM 0 HA GLU A 41 -5.585 -3.340 9.739 1.00 1.26 H new ATOM 0 HB2 GLU A 41 -4.922 -1.021 10.929 1.00 1.28 H new ATOM 0 HB3 GLU A 41 -6.586 -1.072 11.478 1.00 1.28 H new ATOM 0 HG2 GLU A 41 -5.547 -3.700 11.892 1.00 2.15 H new ATOM 0 HG3 GLU A 41 -4.297 -2.599 12.436 1.00 2.15 H new ATOM 179 N GLU A 42 -8.519 -1.771 9.778 1.00 1.47 N ATOM 180 CA GLU A 42 -9.973 -1.978 9.790 1.00 1.65 C ATOM 181 C GLU A 42 -10.488 -2.779 8.575 1.00 1.64 C ATOM 182 O GLU A 42 -11.408 -3.590 8.726 1.00 1.77 O ATOM 183 CB GLU A 42 -10.658 -0.613 9.984 1.00 1.88 C ATOM 184 CG GLU A 42 -11.970 -0.415 9.231 1.00 1.75 C ATOM 185 CD GLU A 42 -12.665 0.863 9.699 1.00 2.45 C ATOM 186 OE1 GLU A 42 -12.807 1.817 8.897 1.00 2.80 O ATOM 187 OE2 GLU A 42 -13.062 0.930 10.885 1.00 3.52 O ATOM 0 H GLU A 42 -8.242 -0.799 9.640 1.00 1.47 H new ATOM 0 HA GLU A 42 -10.239 -2.618 10.632 1.00 1.65 H new ATOM 0 HB2 GLU A 42 -10.847 -0.470 11.048 1.00 1.88 H new ATOM 0 HB3 GLU A 42 -9.963 0.168 9.676 1.00 1.88 H new ATOM 0 HG2 GLU A 42 -11.777 -0.360 8.160 1.00 1.75 H new ATOM 0 HG3 GLU A 42 -12.623 -1.272 9.394 1.00 1.75 H new ATOM 194 N ALA A 43 -9.895 -2.600 7.393 1.00 1.54 N ATOM 195 CA ALA A 43 -10.357 -3.207 6.146 1.00 1.57 C ATOM 196 C ALA A 43 -10.016 -4.700 6.014 1.00 1.51 C ATOM 197 O ALA A 43 -10.879 -5.467 5.576 1.00 1.53 O ATOM 198 CB ALA A 43 -9.774 -2.419 4.970 1.00 1.58 C ATOM 0 H ALA A 43 -9.065 -2.018 7.275 1.00 1.54 H new ATOM 0 HA ALA A 43 -11.446 -3.158 6.147 1.00 1.57 H new ATOM 0 HB1 ALA A 43 -10.111 -2.862 4.033 1.00 1.58 H new ATOM 0 HB2 ALA A 43 -10.110 -1.383 5.024 1.00 1.58 H new ATOM 0 HB3 ALA A 43 -8.685 -2.450 5.015 1.00 1.58 H new ATOM 204 N LEU A 44 -8.779 -5.114 6.335 1.00 1.48 N ATOM 205 CA LEU A 44 -8.329 -6.503 6.191 1.00 1.62 C ATOM 206 C LEU A 44 -7.591 -7.118 7.390 1.00 1.67 C ATOM 207 O LEU A 44 -7.220 -8.288 7.309 1.00 1.81 O ATOM 208 CB LEU A 44 -7.518 -6.685 4.903 1.00 1.61 C ATOM 209 CG LEU A 44 -6.111 -6.069 4.927 1.00 1.62 C ATOM 210 CD1 LEU A 44 -5.115 -6.956 4.185 1.00 1.07 C ATOM 211 CD2 LEU A 44 -6.131 -4.700 4.269 1.00 2.23 C ATOM 0 H LEU A 44 -8.062 -4.489 6.703 1.00 1.48 H new ATOM 0 HA LEU A 44 -9.259 -7.069 6.140 1.00 1.62 H new ATOM 0 HB2 LEU A 44 -7.427 -7.751 4.697 1.00 1.61 H new ATOM 0 HB3 LEU A 44 -8.076 -6.246 4.076 1.00 1.61 H new ATOM 0 HG LEU A 44 -5.803 -5.979 5.969 1.00 1.62 H new ATOM 0 HD11 LEU A 44 -4.126 -6.498 4.216 1.00 1.07 H new ATOM 0 HD12 LEU A 44 -5.076 -7.936 4.660 1.00 1.07 H new ATOM 0 HD13 LEU A 44 -5.430 -7.068 3.148 1.00 1.07 H new ATOM 0 HD21 LEU A 44 -5.129 -4.271 4.291 1.00 2.23 H new ATOM 0 HD22 LEU A 44 -6.461 -4.798 3.235 1.00 2.23 H new ATOM 0 HD23 LEU A 44 -6.817 -4.047 4.809 1.00 2.23 H new ATOM 223 N SER A 45 -7.315 -6.351 8.450 1.00 1.63 N ATOM 224 CA SER A 45 -6.490 -6.777 9.599 1.00 1.69 C ATOM 225 C SER A 45 -5.153 -7.442 9.176 1.00 1.49 C ATOM 226 O SER A 45 -4.987 -8.654 9.333 1.00 1.70 O ATOM 227 CB SER A 45 -7.325 -7.582 10.613 1.00 2.11 C ATOM 228 OG SER A 45 -8.084 -8.656 10.078 1.00 2.04 O ATOM 0 H SER A 45 -7.663 -5.397 8.541 1.00 1.63 H new ATOM 0 HA SER A 45 -6.167 -5.881 10.129 1.00 1.69 H new ATOM 0 HB2 SER A 45 -6.653 -7.981 11.373 1.00 2.11 H new ATOM 0 HB3 SER A 45 -8.006 -6.897 11.118 1.00 2.11 H new ATOM 0 HG SER A 45 -8.574 -9.102 10.800 1.00 2.04 H new ATOM 234 N PRO A 46 -4.204 -6.674 8.587 1.00 1.12 N ATOM 235 CA PRO A 46 -2.946 -7.167 8.000 1.00 0.81 C ATOM 236 C PRO A 46 -2.045 -7.976 8.943 1.00 0.77 C ATOM 237 O PRO A 46 -2.154 -7.879 10.165 1.00 1.03 O ATOM 238 CB PRO A 46 -2.181 -5.902 7.598 1.00 0.68 C ATOM 239 CG PRO A 46 -3.253 -4.854 7.353 1.00 0.79 C ATOM 240 CD PRO A 46 -4.283 -5.228 8.410 1.00 1.11 C ATOM 0 HA PRO A 46 -3.197 -7.851 7.189 1.00 0.81 H new ATOM 0 HB2 PRO A 46 -1.496 -5.589 8.385 1.00 0.68 H new ATOM 0 HB3 PRO A 46 -1.582 -6.071 6.703 1.00 0.68 H new ATOM 0 HG2 PRO A 46 -2.875 -3.840 7.488 1.00 0.79 H new ATOM 0 HG3 PRO A 46 -3.660 -4.911 6.344 1.00 0.79 H new ATOM 0 HD2 PRO A 46 -4.078 -4.713 9.348 1.00 1.11 H new ATOM 0 HD3 PRO A 46 -5.284 -4.932 8.096 1.00 1.11 H new ATOM 248 N GLU A 47 -1.042 -8.665 8.394 1.00 0.61 N ATOM 249 CA GLU A 47 0.148 -9.054 9.138 1.00 0.60 C ATOM 250 C GLU A 47 1.152 -7.908 9.267 1.00 0.61 C ATOM 251 O GLU A 47 1.588 -7.626 10.387 1.00 0.73 O ATOM 252 CB GLU A 47 0.755 -10.309 8.515 1.00 0.59 C ATOM 253 CG GLU A 47 1.201 -11.306 9.569 1.00 0.76 C ATOM 254 CD GLU A 47 0.003 -12.017 10.207 1.00 1.21 C ATOM 255 OE1 GLU A 47 -0.404 -11.638 11.330 1.00 2.03 O ATOM 256 OE2 GLU A 47 -0.578 -12.942 9.593 1.00 2.22 O ATOM 0 H GLU A 47 -1.036 -8.967 7.420 1.00 0.61 H new ATOM 0 HA GLU A 47 -0.143 -9.293 10.161 1.00 0.60 H new ATOM 0 HB2 GLU A 47 0.023 -10.779 7.858 1.00 0.59 H new ATOM 0 HB3 GLU A 47 1.607 -10.031 7.895 1.00 0.59 H new ATOM 0 HG2 GLU A 47 1.865 -12.043 9.117 1.00 0.76 H new ATOM 0 HG3 GLU A 47 1.774 -10.791 10.340 1.00 0.76 H new ATOM 263 N VAL A 48 1.438 -7.161 8.193 1.00 0.54 N ATOM 264 CA VAL A 48 2.180 -5.900 8.292 1.00 0.73 C ATOM 265 C VAL A 48 1.601 -4.854 7.366 1.00 0.94 C ATOM 266 O VAL A 48 0.919 -5.167 6.383 1.00 1.36 O ATOM 267 CB VAL A 48 3.650 -6.040 7.877 1.00 1.15 C ATOM 268 CG1 VAL A 48 4.493 -6.986 8.685 1.00 0.90 C ATOM 269 CG2 VAL A 48 3.805 -6.437 6.425 1.00 2.29 C ATOM 0 H VAL A 48 1.165 -7.410 7.242 1.00 0.54 H new ATOM 0 HA VAL A 48 2.103 -5.614 9.341 1.00 0.73 H new ATOM 0 HB VAL A 48 4.021 -5.033 8.067 1.00 1.15 H new ATOM 0 HG11 VAL A 48 5.509 -6.995 8.291 1.00 0.90 H new ATOM 0 HG12 VAL A 48 4.509 -6.661 9.725 1.00 0.90 H new ATOM 0 HG13 VAL A 48 4.072 -7.990 8.625 1.00 0.90 H new ATOM 0 HG21 VAL A 48 4.864 -6.523 6.182 1.00 2.29 H new ATOM 0 HG22 VAL A 48 3.315 -7.396 6.256 1.00 2.29 H new ATOM 0 HG23 VAL A 48 3.347 -5.679 5.790 1.00 2.29 H new ATOM 279 N LEU A 49 2.030 -3.620 7.597 1.00 0.90 N ATOM 280 CA LEU A 49 2.358 -2.764 6.471 1.00 0.76 C ATOM 281 C LEU A 49 3.473 -1.778 6.826 1.00 0.87 C ATOM 282 O LEU A 49 3.330 -0.960 7.730 1.00 1.37 O ATOM 283 CB LEU A 49 1.090 -2.110 5.888 1.00 1.33 C ATOM 284 CG LEU A 49 -0.080 -1.842 6.857 1.00 1.06 C ATOM 285 CD1 LEU A 49 0.224 -0.791 7.920 1.00 1.56 C ATOM 286 CD2 LEU A 49 -1.299 -1.424 6.042 1.00 1.59 C ATOM 0 H LEU A 49 2.155 -3.203 8.519 1.00 0.90 H new ATOM 0 HA LEU A 49 2.767 -3.376 5.667 1.00 0.76 H new ATOM 0 HB2 LEU A 49 1.378 -1.160 5.437 1.00 1.33 H new ATOM 0 HB3 LEU A 49 0.722 -2.747 5.084 1.00 1.33 H new ATOM 0 HG LEU A 49 -0.265 -2.767 7.403 1.00 1.06 H new ATOM 0 HD11 LEU A 49 -0.647 -0.660 8.562 1.00 1.56 H new ATOM 0 HD12 LEU A 49 1.072 -1.117 8.522 1.00 1.56 H new ATOM 0 HD13 LEU A 49 0.465 0.156 7.437 1.00 1.56 H new ATOM 0 HD21 LEU A 49 -2.136 -1.231 6.713 1.00 1.59 H new ATOM 0 HD22 LEU A 49 -1.068 -0.519 5.480 1.00 1.59 H new ATOM 0 HD23 LEU A 49 -1.566 -2.223 5.350 1.00 1.59 H new ATOM 298 N GLU A 50 4.597 -1.862 6.122 1.00 0.64 N ATOM 299 CA GLU A 50 5.761 -0.999 6.339 1.00 0.72 C ATOM 300 C GLU A 50 6.014 -0.156 5.098 1.00 0.66 C ATOM 301 O GLU A 50 6.129 -0.652 3.983 1.00 0.76 O ATOM 302 CB GLU A 50 6.999 -1.796 6.724 1.00 0.98 C ATOM 303 CG GLU A 50 6.746 -2.706 7.939 1.00 1.20 C ATOM 304 CD GLU A 50 7.962 -2.848 8.861 1.00 1.79 C ATOM 305 OE1 GLU A 50 9.100 -3.082 8.383 1.00 1.77 O ATOM 306 OE2 GLU A 50 7.786 -2.709 10.097 1.00 3.41 O ATOM 0 H GLU A 50 4.731 -2.541 5.372 1.00 0.64 H new ATOM 0 HA GLU A 50 5.542 -0.339 7.179 1.00 0.72 H new ATOM 0 HB2 GLU A 50 7.317 -2.403 5.877 1.00 0.98 H new ATOM 0 HB3 GLU A 50 7.816 -1.110 6.949 1.00 0.98 H new ATOM 0 HG2 GLU A 50 5.909 -2.308 8.513 1.00 1.20 H new ATOM 0 HG3 GLU A 50 6.450 -3.694 7.587 1.00 1.20 H new ATOM 313 N LEU A 51 5.935 1.146 5.295 1.00 0.63 N ATOM 314 CA LEU A 51 5.665 2.109 4.236 1.00 0.60 C ATOM 315 C LEU A 51 6.322 3.479 4.491 1.00 0.73 C ATOM 316 O LEU A 51 6.644 3.823 5.635 1.00 0.90 O ATOM 317 CB LEU A 51 4.138 2.107 4.005 1.00 0.61 C ATOM 318 CG LEU A 51 3.284 2.933 4.967 1.00 0.78 C ATOM 319 CD1 LEU A 51 1.780 2.722 4.766 1.00 1.20 C ATOM 320 CD2 LEU A 51 3.527 2.680 6.452 1.00 0.88 C ATOM 0 H LEU A 51 6.059 1.576 6.212 1.00 0.63 H new ATOM 0 HA LEU A 51 6.141 1.823 3.298 1.00 0.60 H new ATOM 0 HB2 LEU A 51 3.949 2.465 2.993 1.00 0.61 H new ATOM 0 HB3 LEU A 51 3.791 1.074 4.047 1.00 0.61 H new ATOM 0 HG LEU A 51 3.600 3.944 4.712 1.00 0.78 H new ATOM 0 HD11 LEU A 51 1.228 3.335 5.478 1.00 1.20 H new ATOM 0 HD12 LEU A 51 1.505 3.008 3.751 1.00 1.20 H new ATOM 0 HD13 LEU A 51 1.535 1.672 4.926 1.00 1.20 H new ATOM 0 HD21 LEU A 51 2.869 3.318 7.042 1.00 0.88 H new ATOM 0 HD22 LEU A 51 3.321 1.635 6.682 1.00 0.88 H new ATOM 0 HD23 LEU A 51 4.565 2.906 6.695 1.00 0.88 H new ATOM 332 N ARG A 52 6.511 4.268 3.432 1.00 0.73 N ATOM 333 CA ARG A 52 7.235 5.542 3.428 1.00 0.83 C ATOM 334 C ARG A 52 6.697 6.400 2.286 1.00 0.75 C ATOM 335 O ARG A 52 6.427 5.891 1.199 1.00 0.76 O ATOM 336 CB ARG A 52 8.743 5.260 3.272 1.00 1.03 C ATOM 337 CG ARG A 52 9.587 6.529 3.456 1.00 1.45 C ATOM 338 CD ARG A 52 11.090 6.236 3.402 1.00 2.06 C ATOM 339 NE ARG A 52 11.851 7.489 3.562 1.00 2.78 N ATOM 340 CZ ARG A 52 13.105 7.729 3.230 1.00 3.93 C ATOM 341 NH1 ARG A 52 13.910 6.831 2.756 1.00 5.05 N ATOM 342 NH2 ARG A 52 13.603 8.917 3.366 1.00 4.60 N ATOM 0 H ARG A 52 6.147 4.026 2.511 1.00 0.73 H new ATOM 0 HA ARG A 52 7.090 6.083 4.363 1.00 0.83 H new ATOM 0 HB2 ARG A 52 9.049 4.512 4.003 1.00 1.03 H new ATOM 0 HB3 ARG A 52 8.933 4.838 2.285 1.00 1.03 H new ATOM 0 HG2 ARG A 52 9.331 7.250 2.679 1.00 1.45 H new ATOM 0 HG3 ARG A 52 9.342 6.991 4.413 1.00 1.45 H new ATOM 0 HD2 ARG A 52 11.361 5.533 4.189 1.00 2.06 H new ATOM 0 HD3 ARG A 52 11.344 5.765 2.452 1.00 2.06 H new ATOM 0 HE ARG A 52 11.344 8.268 3.982 1.00 2.78 H new ATOM 0 HH11 ARG A 52 13.584 5.874 2.621 1.00 5.05 H new ATOM 0 HH12 ARG A 52 14.870 7.081 2.518 1.00 5.05 H new ATOM 0 HH21 ARG A 52 13.025 9.674 3.732 1.00 4.60 H new ATOM 0 HH22 ARG A 52 14.573 9.096 3.107 1.00 4.60 H new ATOM 356 N ASN A 53 6.541 7.703 2.488 1.00 0.76 N ATOM 357 CA ASN A 53 6.188 8.593 1.387 1.00 0.70 C ATOM 358 C ASN A 53 7.427 8.943 0.547 1.00 0.78 C ATOM 359 O ASN A 53 8.528 9.145 1.067 1.00 1.06 O ATOM 360 CB ASN A 53 5.259 9.723 1.879 1.00 0.79 C ATOM 361 CG ASN A 53 5.867 11.105 2.080 1.00 1.02 C ATOM 362 OD1 ASN A 53 6.804 11.512 1.413 1.00 1.67 O ATOM 363 ND2 ASN A 53 5.286 11.924 2.924 1.00 0.91 N ATOM 0 H ASN A 53 6.651 8.163 3.392 1.00 0.76 H new ATOM 0 HA ASN A 53 5.560 8.100 0.645 1.00 0.70 H new ATOM 0 HB2 ASN A 53 4.440 9.818 1.166 1.00 0.79 H new ATOM 0 HB3 ASN A 53 4.822 9.408 2.827 1.00 0.79 H new ATOM 0 HD21 ASN A 53 5.619 12.884 3.014 1.00 0.91 H new ATOM 0 HD22 ASN A 53 4.501 11.601 3.490 1.00 0.91 H new ATOM 370 N GLU A 54 7.248 8.995 -0.770 1.00 0.82 N ATOM 371 CA GLU A 54 8.299 9.406 -1.706 1.00 0.99 C ATOM 372 C GLU A 54 8.240 10.920 -1.977 1.00 0.88 C ATOM 373 O GLU A 54 9.255 11.559 -2.237 1.00 1.00 O ATOM 374 CB GLU A 54 8.178 8.556 -2.975 1.00 1.24 C ATOM 375 CG GLU A 54 9.450 8.662 -3.817 1.00 1.60 C ATOM 376 CD GLU A 54 9.359 7.843 -5.106 1.00 2.40 C ATOM 377 OE1 GLU A 54 10.376 7.208 -5.478 1.00 2.89 O ATOM 378 OE2 GLU A 54 8.270 7.795 -5.725 1.00 3.44 O ATOM 0 H GLU A 54 6.367 8.753 -1.223 1.00 0.82 H new ATOM 0 HA GLU A 54 9.284 9.231 -1.274 1.00 0.99 H new ATOM 0 HB2 GLU A 54 7.999 7.515 -2.706 1.00 1.24 H new ATOM 0 HB3 GLU A 54 7.320 8.886 -3.560 1.00 1.24 H new ATOM 0 HG2 GLU A 54 9.634 9.707 -4.065 1.00 1.60 H new ATOM 0 HG3 GLU A 54 10.302 8.319 -3.230 1.00 1.60 H new ATOM 385 N SER A 55 7.052 11.499 -1.809 1.00 0.77 N ATOM 386 CA SER A 55 6.633 12.899 -1.970 1.00 0.83 C ATOM 387 C SER A 55 7.395 13.956 -1.146 1.00 1.16 C ATOM 388 O SER A 55 7.170 15.154 -1.316 1.00 1.55 O ATOM 389 CB SER A 55 5.143 12.893 -1.668 1.00 0.91 C ATOM 390 OG SER A 55 4.454 14.021 -2.150 1.00 1.62 O ATOM 0 H SER A 55 6.257 10.928 -1.520 1.00 0.77 H new ATOM 0 HA SER A 55 6.874 13.224 -2.982 1.00 0.83 H new ATOM 0 HB2 SER A 55 4.699 11.997 -2.102 1.00 0.91 H new ATOM 0 HB3 SER A 55 5.002 12.828 -0.589 1.00 0.91 H new ATOM 0 HG SER A 55 4.327 14.663 -1.421 1.00 1.62 H new ATOM 396 N GLY A 56 8.310 13.549 -0.263 1.00 1.22 N ATOM 397 CA GLY A 56 9.370 14.439 0.223 1.00 1.42 C ATOM 398 C GLY A 56 10.403 14.818 -0.856 1.00 1.41 C ATOM 399 O GLY A 56 11.050 15.861 -0.742 1.00 1.60 O ATOM 0 H GLY A 56 8.339 12.609 0.131 1.00 1.22 H new ATOM 0 HA2 GLY A 56 8.917 15.349 0.615 1.00 1.42 H new ATOM 0 HA3 GLY A 56 9.885 13.956 1.053 1.00 1.42 H new ATOM 403 N GLY A 57 10.487 14.050 -1.946 1.00 1.30 N ATOM 404 CA GLY A 57 11.150 14.378 -3.215 1.00 1.42 C ATOM 405 C GLY A 57 10.204 15.071 -4.200 1.00 1.65 C ATOM 406 O GLY A 57 9.202 15.641 -3.776 1.00 3.34 O ATOM 0 H GLY A 57 10.066 13.121 -1.969 1.00 1.30 H new ATOM 0 HA2 GLY A 57 12.005 15.025 -3.019 1.00 1.42 H new ATOM 0 HA3 GLY A 57 11.537 13.465 -3.667 1.00 1.42 H new ATOM 410 N HIS A 58 10.484 14.960 -5.501 1.00 1.56 N ATOM 411 CA HIS A 58 9.611 15.375 -6.618 1.00 1.79 C ATOM 412 C HIS A 58 9.267 16.872 -6.740 1.00 2.03 C ATOM 413 O HIS A 58 9.478 17.680 -5.832 1.00 1.97 O ATOM 414 CB HIS A 58 8.343 14.499 -6.635 1.00 1.76 C ATOM 415 CG HIS A 58 8.686 13.048 -6.765 1.00 1.84 C ATOM 416 ND1 HIS A 58 9.224 12.456 -7.880 1.00 2.34 N ATOM 417 CD2 HIS A 58 8.667 12.116 -5.768 1.00 1.62 C ATOM 418 CE1 HIS A 58 9.530 11.190 -7.567 1.00 2.44 C ATOM 419 NE2 HIS A 58 9.226 10.940 -6.280 1.00 2.03 N ATOM 0 H HIS A 58 11.364 14.561 -5.826 1.00 1.56 H new ATOM 0 HA HIS A 58 10.219 15.212 -7.508 1.00 1.79 H new ATOM 0 HB2 HIS A 58 7.775 14.660 -5.719 1.00 1.76 H new ATOM 0 HB3 HIS A 58 7.702 14.799 -7.464 1.00 1.76 H new ATOM 0 HD1 HIS A 58 9.366 12.901 -8.787 1.00 2.34 H new ATOM 0 HD2 HIS A 58 8.289 12.260 -4.766 1.00 1.62 H new ATOM 0 HE1 HIS A 58 9.959 10.472 -8.250 1.00 2.44 H new ATOM 427 N ALA A 59 8.691 17.251 -7.888 1.00 2.98 N ATOM 428 CA ALA A 59 8.221 18.607 -8.179 1.00 3.47 C ATOM 429 C ALA A 59 6.825 18.893 -7.578 1.00 3.31 C ATOM 430 O ALA A 59 5.891 19.323 -8.265 1.00 3.91 O ATOM 431 CB ALA A 59 8.330 18.862 -9.688 1.00 4.18 C ATOM 0 H ALA A 59 8.536 16.603 -8.660 1.00 2.98 H new ATOM 0 HA ALA A 59 8.864 19.331 -7.680 1.00 3.47 H new ATOM 0 HB1 ALA A 59 7.982 19.870 -9.913 1.00 4.18 H new ATOM 0 HB2 ALA A 59 9.369 18.759 -10.000 1.00 4.18 H new ATOM 0 HB3 ALA A 59 7.717 18.138 -10.225 1.00 4.18 H new ATOM 437 N VAL A 60 6.661 18.599 -6.286 1.00 2.59 N ATOM 438 CA VAL A 60 5.384 18.619 -5.543 1.00 2.37 C ATOM 439 C VAL A 60 5.384 19.690 -4.437 1.00 2.34 C ATOM 440 O VAL A 60 6.466 20.095 -3.987 1.00 2.48 O ATOM 441 CB VAL A 60 5.056 17.230 -4.950 1.00 2.11 C ATOM 442 CG1 VAL A 60 4.935 16.163 -6.045 1.00 2.29 C ATOM 443 CG2 VAL A 60 6.105 16.774 -3.935 1.00 1.93 C ATOM 0 H VAL A 60 7.447 18.327 -5.696 1.00 2.59 H new ATOM 0 HA VAL A 60 4.604 18.878 -6.259 1.00 2.37 H new ATOM 0 HB VAL A 60 4.098 17.341 -4.442 1.00 2.11 H new ATOM 0 HG11 VAL A 60 4.704 15.200 -5.590 1.00 2.29 H new ATOM 0 HG12 VAL A 60 4.138 16.439 -6.735 1.00 2.29 H new ATOM 0 HG13 VAL A 60 5.877 16.091 -6.589 1.00 2.29 H new ATOM 0 HG21 VAL A 60 5.832 15.793 -3.545 1.00 1.93 H new ATOM 0 HG22 VAL A 60 7.079 16.713 -4.421 1.00 1.93 H new ATOM 0 HG23 VAL A 60 6.153 17.490 -3.114 1.00 1.93 H new ATOM 453 N PRO A 61 4.211 20.147 -3.958 1.00 2.32 N ATOM 454 CA PRO A 61 4.127 21.105 -2.856 1.00 2.34 C ATOM 455 C PRO A 61 4.712 20.557 -1.539 1.00 2.33 C ATOM 456 O PRO A 61 4.572 19.361 -1.257 1.00 2.21 O ATOM 457 CB PRO A 61 2.641 21.445 -2.704 1.00 2.44 C ATOM 458 CG PRO A 61 2.046 21.093 -4.062 1.00 2.45 C ATOM 459 CD PRO A 61 2.880 19.893 -4.493 1.00 2.42 C ATOM 0 HA PRO A 61 4.724 21.989 -3.080 1.00 2.34 H new ATOM 0 HB2 PRO A 61 2.179 20.868 -1.903 1.00 2.44 H new ATOM 0 HB3 PRO A 61 2.494 22.498 -2.464 1.00 2.44 H new ATOM 0 HG2 PRO A 61 0.987 20.845 -3.988 1.00 2.45 H new ATOM 0 HG3 PRO A 61 2.131 21.919 -4.768 1.00 2.45 H new ATOM 0 HD2 PRO A 61 2.467 18.964 -4.100 1.00 2.42 H new ATOM 0 HD3 PRO A 61 2.903 19.798 -5.579 1.00 2.42 H new ATOM 467 N PRO A 62 5.343 21.402 -0.702 1.00 2.62 N ATOM 468 CA PRO A 62 5.971 20.967 0.543 1.00 2.93 C ATOM 469 C PRO A 62 4.939 20.434 1.537 1.00 2.78 C ATOM 470 O PRO A 62 3.909 21.065 1.784 1.00 2.66 O ATOM 471 CB PRO A 62 6.698 22.193 1.098 1.00 3.42 C ATOM 472 CG PRO A 62 5.933 23.365 0.494 1.00 3.06 C ATOM 473 CD PRO A 62 5.503 22.836 -0.872 1.00 2.83 C ATOM 0 HA PRO A 62 6.662 20.143 0.367 1.00 2.93 H new ATOM 0 HB2 PRO A 62 6.672 22.216 2.187 1.00 3.42 H new ATOM 0 HB3 PRO A 62 7.747 22.204 0.804 1.00 3.42 H new ATOM 0 HG2 PRO A 62 5.075 23.644 1.106 1.00 3.06 H new ATOM 0 HG3 PRO A 62 6.561 24.251 0.403 1.00 3.06 H new ATOM 0 HD2 PRO A 62 4.571 23.299 -1.196 1.00 2.83 H new ATOM 0 HD3 PRO A 62 6.251 23.060 -1.632 1.00 2.83 H new ATOM 481 N GLY A 63 5.218 19.269 2.120 1.00 2.95 N ATOM 482 CA GLY A 63 4.298 18.576 3.026 1.00 2.96 C ATOM 483 C GLY A 63 3.177 17.799 2.322 1.00 2.34 C ATOM 484 O GLY A 63 2.384 17.145 3.002 1.00 2.41 O ATOM 0 H GLY A 63 6.098 18.773 1.976 1.00 2.95 H new ATOM 0 HA2 GLY A 63 4.870 17.884 3.645 1.00 2.96 H new ATOM 0 HA3 GLY A 63 3.849 19.308 3.698 1.00 2.96 H new ATOM 488 N SER A 64 3.105 17.820 0.984 1.00 1.89 N ATOM 489 CA SER A 64 2.220 16.941 0.229 1.00 1.55 C ATOM 490 C SER A 64 2.752 15.508 0.247 1.00 1.43 C ATOM 491 O SER A 64 3.952 15.243 0.373 1.00 1.63 O ATOM 492 CB SER A 64 1.999 17.446 -1.204 1.00 1.57 C ATOM 493 OG SER A 64 0.987 16.667 -1.823 1.00 2.66 O ATOM 0 H SER A 64 3.660 18.447 0.402 1.00 1.89 H new ATOM 0 HA SER A 64 1.244 16.948 0.715 1.00 1.55 H new ATOM 0 HB2 SER A 64 1.709 18.497 -1.191 1.00 1.57 H new ATOM 0 HB3 SER A 64 2.926 17.378 -1.773 1.00 1.57 H new ATOM 0 HG SER A 64 0.841 16.987 -2.738 1.00 2.66 H new ATOM 499 N GLU A 65 1.819 14.577 0.123 1.00 1.30 N ATOM 500 CA GLU A 65 1.991 13.127 0.183 1.00 1.28 C ATOM 501 C GLU A 65 1.331 12.447 -1.032 1.00 1.26 C ATOM 502 O GLU A 65 0.732 11.382 -0.919 1.00 1.63 O ATOM 503 CB GLU A 65 1.487 12.590 1.531 1.00 1.39 C ATOM 504 CG GLU A 65 2.063 13.367 2.722 1.00 1.20 C ATOM 505 CD GLU A 65 1.804 12.654 4.044 1.00 1.61 C ATOM 506 OE1 GLU A 65 2.774 12.117 4.640 1.00 2.96 O ATOM 507 OE2 GLU A 65 0.653 12.707 4.540 1.00 1.94 O ATOM 0 H GLU A 65 0.844 14.832 -0.035 1.00 1.30 H new ATOM 0 HA GLU A 65 3.052 12.883 0.125 1.00 1.28 H new ATOM 0 HB2 GLU A 65 0.399 12.645 1.557 1.00 1.39 H new ATOM 0 HB3 GLU A 65 1.755 11.538 1.623 1.00 1.39 H new ATOM 0 HG2 GLU A 65 3.136 13.499 2.585 1.00 1.20 H new ATOM 0 HG3 GLU A 65 1.621 14.363 2.754 1.00 1.20 H new ATOM 514 N THR A 66 1.433 13.070 -2.214 1.00 1.14 N ATOM 515 CA THR A 66 0.816 12.611 -3.466 1.00 1.31 C ATOM 516 C THR A 66 1.533 11.368 -4.018 1.00 0.99 C ATOM 517 O THR A 66 0.961 10.583 -4.776 1.00 1.25 O ATOM 518 CB THR A 66 0.779 13.778 -4.477 1.00 1.64 C ATOM 519 OG1 THR A 66 0.506 13.306 -5.754 1.00 3.32 O ATOM 520 CG2 THR A 66 2.090 14.558 -4.602 1.00 1.47 C ATOM 0 H THR A 66 1.963 13.934 -2.329 1.00 1.14 H new ATOM 0 HA THR A 66 -0.211 12.302 -3.274 1.00 1.31 H new ATOM 0 HB THR A 66 0.007 14.440 -4.085 1.00 1.64 H new ATOM 0 HG1 THR A 66 0.485 14.057 -6.383 1.00 3.32 H new ATOM 0 HG21 THR A 66 1.970 15.357 -5.333 1.00 1.47 H new ATOM 0 HG22 THR A 66 2.351 14.988 -3.635 1.00 1.47 H new ATOM 0 HG23 THR A 66 2.884 13.885 -4.927 1.00 1.47 H new ATOM 528 N HIS A 67 2.779 11.173 -3.580 1.00 0.61 N ATOM 529 CA HIS A 67 3.707 10.122 -3.977 1.00 0.56 C ATOM 530 C HIS A 67 4.049 9.198 -2.797 1.00 0.48 C ATOM 531 O HIS A 67 4.593 9.648 -1.779 1.00 0.45 O ATOM 532 CB HIS A 67 4.970 10.812 -4.517 1.00 0.60 C ATOM 533 CG HIS A 67 5.238 10.521 -5.958 1.00 0.82 C ATOM 534 ND1 HIS A 67 6.350 9.948 -6.535 1.00 1.07 N ATOM 535 CD2 HIS A 67 4.364 10.825 -6.954 1.00 0.98 C ATOM 536 CE1 HIS A 67 6.160 9.934 -7.863 1.00 1.30 C ATOM 537 NE2 HIS A 67 4.963 10.462 -8.174 1.00 1.26 N ATOM 0 H HIS A 67 3.193 11.795 -2.886 1.00 0.61 H new ATOM 0 HA HIS A 67 3.255 9.490 -4.742 1.00 0.56 H new ATOM 0 HB2 HIS A 67 4.871 11.889 -4.384 1.00 0.60 H new ATOM 0 HB3 HIS A 67 5.829 10.496 -3.925 1.00 0.60 H new ATOM 0 HD1 HIS A 67 7.171 9.597 -6.041 1.00 1.07 H new ATOM 0 HD2 HIS A 67 3.386 11.266 -6.831 1.00 0.98 H new ATOM 0 HE1 HIS A 67 6.869 9.552 -8.582 1.00 1.30 H new ATOM 545 N PHE A 68 3.813 7.894 -2.943 1.00 0.54 N ATOM 546 CA PHE A 68 3.880 6.944 -1.823 1.00 0.55 C ATOM 547 C PHE A 68 4.654 5.650 -2.157 1.00 0.60 C ATOM 548 O PHE A 68 4.844 5.307 -3.328 1.00 0.81 O ATOM 549 CB PHE A 68 2.432 6.691 -1.360 1.00 0.70 C ATOM 550 CG PHE A 68 2.237 6.232 0.073 1.00 0.89 C ATOM 551 CD1 PHE A 68 2.842 6.919 1.146 1.00 1.74 C ATOM 552 CD2 PHE A 68 1.369 5.160 0.337 1.00 2.12 C ATOM 553 CE1 PHE A 68 2.637 6.497 2.472 1.00 1.94 C ATOM 554 CE2 PHE A 68 1.134 4.760 1.661 1.00 2.40 C ATOM 555 CZ PHE A 68 1.771 5.425 2.719 1.00 1.67 C ATOM 0 H PHE A 68 3.571 7.464 -3.836 1.00 0.54 H new ATOM 0 HA PHE A 68 4.463 7.372 -1.007 1.00 0.55 H new ATOM 0 HB2 PHE A 68 1.866 7.612 -1.501 1.00 0.70 H new ATOM 0 HB3 PHE A 68 1.992 5.942 -2.018 1.00 0.70 H new ATOM 0 HD1 PHE A 68 3.468 7.776 0.948 1.00 1.74 H new ATOM 0 HD2 PHE A 68 0.883 4.644 -0.478 1.00 2.12 H new ATOM 0 HE1 PHE A 68 3.141 6.993 3.288 1.00 1.94 H new ATOM 0 HE2 PHE A 68 0.462 3.940 1.866 1.00 2.40 H new ATOM 0 HZ PHE A 68 1.591 5.107 3.735 1.00 1.67 H new ATOM 565 N ARG A 69 5.115 4.926 -1.130 1.00 0.63 N ATOM 566 CA ARG A 69 5.807 3.631 -1.238 1.00 0.68 C ATOM 567 C ARG A 69 5.343 2.717 -0.098 1.00 0.64 C ATOM 568 O ARG A 69 5.318 3.149 1.052 1.00 0.65 O ATOM 569 CB ARG A 69 7.334 3.872 -1.191 1.00 0.89 C ATOM 570 CG ARG A 69 8.125 3.188 -2.316 1.00 1.25 C ATOM 571 CD ARG A 69 7.972 1.664 -2.413 1.00 2.21 C ATOM 572 NE ARG A 69 8.255 0.977 -1.144 1.00 3.91 N ATOM 573 CZ ARG A 69 8.452 -0.314 -0.968 1.00 5.18 C ATOM 574 NH1 ARG A 69 8.459 -1.171 -1.945 1.00 5.23 N ATOM 575 NH2 ARG A 69 8.655 -0.760 0.232 1.00 6.88 N ATOM 0 H ARG A 69 5.014 5.236 -0.163 1.00 0.63 H new ATOM 0 HA ARG A 69 5.568 3.142 -2.182 1.00 0.68 H new ATOM 0 HB2 ARG A 69 7.521 4.945 -1.234 1.00 0.89 H new ATOM 0 HB3 ARG A 69 7.715 3.521 -0.232 1.00 0.89 H new ATOM 0 HG2 ARG A 69 7.819 3.626 -3.266 1.00 1.25 H new ATOM 0 HG3 ARG A 69 9.182 3.420 -2.183 1.00 1.25 H new ATOM 0 HD2 ARG A 69 6.957 1.426 -2.730 1.00 2.21 H new ATOM 0 HD3 ARG A 69 8.644 1.285 -3.183 1.00 2.21 H new ATOM 0 HE ARG A 69 8.304 1.563 -0.310 1.00 3.91 H new ATOM 0 HH11 ARG A 69 8.307 -0.854 -2.903 1.00 5.23 H new ATOM 0 HH12 ARG A 69 8.616 -2.161 -1.754 1.00 5.23 H new ATOM 0 HH21 ARG A 69 8.660 -0.115 1.022 1.00 6.88 H new ATOM 0 HH22 ARG A 69 8.809 -1.756 0.386 1.00 6.88 H new ATOM 589 N VAL A 70 4.937 1.480 -0.392 1.00 0.70 N ATOM 590 CA VAL A 70 4.317 0.569 0.591 1.00 0.59 C ATOM 591 C VAL A 70 4.769 -0.876 0.423 1.00 0.56 C ATOM 592 O VAL A 70 4.694 -1.448 -0.667 1.00 0.57 O ATOM 593 CB VAL A 70 2.771 0.564 0.525 1.00 0.59 C ATOM 594 CG1 VAL A 70 2.161 0.214 1.889 1.00 0.66 C ATOM 595 CG2 VAL A 70 2.152 1.891 0.072 1.00 0.68 C ATOM 0 H VAL A 70 5.027 1.073 -1.323 1.00 0.70 H new ATOM 0 HA VAL A 70 4.649 0.962 1.552 1.00 0.59 H new ATOM 0 HB VAL A 70 2.538 -0.192 -0.225 1.00 0.59 H new ATOM 0 HG11 VAL A 70 1.074 0.218 1.813 1.00 0.66 H new ATOM 0 HG12 VAL A 70 2.500 -0.775 2.196 1.00 0.66 H new ATOM 0 HG13 VAL A 70 2.476 0.951 2.628 1.00 0.66 H new ATOM 0 HG21 VAL A 70 1.066 1.799 0.054 1.00 0.68 H new ATOM 0 HG22 VAL A 70 2.438 2.681 0.766 1.00 0.68 H new ATOM 0 HG23 VAL A 70 2.512 2.138 -0.927 1.00 0.68 H new ATOM 605 N ALA A 71 5.089 -1.501 1.549 1.00 0.57 N ATOM 606 CA ALA A 71 5.173 -2.955 1.668 1.00 0.59 C ATOM 607 C ALA A 71 3.969 -3.451 2.479 1.00 0.53 C ATOM 608 O ALA A 71 3.733 -2.947 3.578 1.00 0.51 O ATOM 609 CB ALA A 71 6.515 -3.335 2.305 1.00 0.72 C ATOM 0 H ALA A 71 5.300 -1.009 2.417 1.00 0.57 H new ATOM 0 HA ALA A 71 5.136 -3.435 0.690 1.00 0.59 H new ATOM 0 HB1 ALA A 71 6.581 -4.419 2.395 1.00 0.72 H new ATOM 0 HB2 ALA A 71 7.330 -2.973 1.679 1.00 0.72 H new ATOM 0 HB3 ALA A 71 6.589 -2.883 3.294 1.00 0.72 H new ATOM 615 N VAL A 72 3.186 -4.405 1.964 1.00 0.57 N ATOM 616 CA VAL A 72 1.954 -4.872 2.636 1.00 0.55 C ATOM 617 C VAL A 72 1.881 -6.390 2.629 1.00 0.54 C ATOM 618 O VAL A 72 2.122 -7.026 1.604 1.00 0.62 O ATOM 619 CB VAL A 72 0.655 -4.244 2.075 1.00 0.60 C ATOM 620 CG1 VAL A 72 0.710 -2.719 2.059 1.00 1.50 C ATOM 621 CG2 VAL A 72 0.275 -4.656 0.651 1.00 1.43 C ATOM 0 H VAL A 72 3.379 -4.875 1.080 1.00 0.57 H new ATOM 0 HA VAL A 72 2.022 -4.524 3.667 1.00 0.55 H new ATOM 0 HB VAL A 72 -0.094 -4.631 2.766 1.00 0.60 H new ATOM 0 HG11 VAL A 72 -0.224 -2.325 1.657 1.00 1.50 H new ATOM 0 HG12 VAL A 72 0.852 -2.349 3.074 1.00 1.50 H new ATOM 0 HG13 VAL A 72 1.541 -2.391 1.434 1.00 1.50 H new ATOM 0 HG21 VAL A 72 -0.650 -4.157 0.362 1.00 1.43 H new ATOM 0 HG22 VAL A 72 1.072 -4.370 -0.036 1.00 1.43 H new ATOM 0 HG23 VAL A 72 0.132 -5.736 0.611 1.00 1.43 H new ATOM 631 N VAL A 73 1.551 -6.993 3.770 1.00 0.50 N ATOM 632 CA VAL A 73 1.595 -8.455 3.908 1.00 0.49 C ATOM 633 C VAL A 73 0.411 -8.982 4.701 1.00 0.50 C ATOM 634 O VAL A 73 0.127 -8.499 5.804 1.00 0.53 O ATOM 635 CB VAL A 73 2.979 -8.914 4.418 1.00 0.60 C ATOM 636 CG1 VAL A 73 3.001 -9.677 5.738 1.00 1.09 C ATOM 637 CG2 VAL A 73 3.723 -9.711 3.367 1.00 1.50 C ATOM 0 H VAL A 73 1.251 -6.499 4.610 1.00 0.50 H new ATOM 0 HA VAL A 73 1.482 -8.911 2.924 1.00 0.49 H new ATOM 0 HB VAL A 73 3.484 -7.970 4.623 1.00 0.60 H new ATOM 0 HG11 VAL A 73 4.028 -9.943 5.987 1.00 1.09 H new ATOM 0 HG12 VAL A 73 2.587 -9.050 6.528 1.00 1.09 H new ATOM 0 HG13 VAL A 73 2.404 -10.584 5.644 1.00 1.09 H new ATOM 0 HG21 VAL A 73 4.692 -10.017 3.761 1.00 1.50 H new ATOM 0 HG22 VAL A 73 3.143 -10.595 3.103 1.00 1.50 H new ATOM 0 HG23 VAL A 73 3.870 -9.095 2.480 1.00 1.50 H new ATOM 647 N SER A 74 -0.275 -9.947 4.084 1.00 0.50 N ATOM 648 CA SER A 74 -1.472 -10.632 4.582 1.00 0.55 C ATOM 649 C SER A 74 -1.675 -11.951 3.830 1.00 0.60 C ATOM 650 O SER A 74 -1.430 -12.022 2.624 1.00 0.66 O ATOM 651 CB SER A 74 -2.703 -9.749 4.345 1.00 0.62 C ATOM 652 OG SER A 74 -3.885 -10.424 4.720 1.00 0.71 O ATOM 0 H SER A 74 0.007 -10.293 3.167 1.00 0.50 H new ATOM 0 HA SER A 74 -1.343 -10.829 5.646 1.00 0.55 H new ATOM 0 HB2 SER A 74 -2.609 -8.826 4.917 1.00 0.62 H new ATOM 0 HB3 SER A 74 -2.757 -9.468 3.293 1.00 0.62 H new ATOM 0 HG SER A 74 -4.340 -9.919 5.426 1.00 0.71 H new ATOM 658 N SER A 75 -2.210 -12.981 4.488 1.00 0.84 N ATOM 659 CA SER A 75 -2.663 -14.214 3.825 1.00 1.09 C ATOM 660 C SER A 75 -3.784 -13.977 2.801 1.00 1.08 C ATOM 661 O SER A 75 -4.028 -14.826 1.942 1.00 1.37 O ATOM 662 CB SER A 75 -3.099 -15.248 4.866 1.00 1.42 C ATOM 663 OG SER A 75 -4.153 -14.759 5.674 1.00 1.81 O ATOM 0 H SER A 75 -2.344 -12.988 5.499 1.00 0.84 H new ATOM 0 HA SER A 75 -1.810 -14.596 3.264 1.00 1.09 H new ATOM 0 HB2 SER A 75 -3.419 -16.160 4.362 1.00 1.42 H new ATOM 0 HB3 SER A 75 -2.249 -15.512 5.496 1.00 1.42 H new ATOM 0 HG SER A 75 -4.409 -15.443 6.327 1.00 1.81 H new ATOM 669 N ARG A 76 -4.443 -12.809 2.816 1.00 0.85 N ATOM 670 CA ARG A 76 -5.424 -12.388 1.796 1.00 0.91 C ATOM 671 C ARG A 76 -4.829 -12.194 0.397 1.00 0.95 C ATOM 672 O ARG A 76 -5.549 -12.264 -0.601 1.00 1.11 O ATOM 673 CB ARG A 76 -6.128 -11.116 2.263 1.00 0.87 C ATOM 674 CG ARG A 76 -6.997 -11.413 3.498 1.00 1.65 C ATOM 675 CD ARG A 76 -7.995 -10.288 3.758 1.00 1.45 C ATOM 676 NE ARG A 76 -8.507 -10.351 5.140 1.00 2.74 N ATOM 677 CZ ARG A 76 -9.658 -9.915 5.614 1.00 3.03 C ATOM 678 NH1 ARG A 76 -10.563 -9.318 4.903 1.00 3.06 N ATOM 679 NH2 ARG A 76 -9.930 -10.057 6.873 1.00 4.38 N ATOM 0 H ARG A 76 -4.309 -12.114 3.551 1.00 0.85 H new ATOM 0 HA ARG A 76 -6.140 -13.204 1.695 1.00 0.91 H new ATOM 0 HB2 ARG A 76 -5.390 -10.351 2.504 1.00 0.87 H new ATOM 0 HB3 ARG A 76 -6.748 -10.719 1.460 1.00 0.87 H new ATOM 0 HG2 ARG A 76 -7.533 -12.351 3.351 1.00 1.65 H new ATOM 0 HG3 ARG A 76 -6.358 -11.544 4.371 1.00 1.65 H new ATOM 0 HD2 ARG A 76 -7.516 -9.324 3.586 1.00 1.45 H new ATOM 0 HD3 ARG A 76 -8.824 -10.362 3.054 1.00 1.45 H new ATOM 0 HE ARG A 76 -7.888 -10.791 5.821 1.00 2.74 H new ATOM 0 HH11 ARG A 76 -10.407 -9.159 3.908 1.00 3.06 H new ATOM 0 HH12 ARG A 76 -11.431 -9.007 5.339 1.00 3.06 H new ATOM 0 HH21 ARG A 76 -9.255 -10.504 7.493 1.00 4.38 H new ATOM 0 HH22 ARG A 76 -10.819 -9.721 7.244 1.00 4.38 H new ATOM 693 N PHE A 77 -3.520 -11.979 0.313 1.00 0.88 N ATOM 694 CA PHE A 77 -2.756 -11.726 -0.909 1.00 1.00 C ATOM 695 C PHE A 77 -2.108 -12.997 -1.501 1.00 1.16 C ATOM 696 O PHE A 77 -1.174 -12.907 -2.300 1.00 1.35 O ATOM 697 CB PHE A 77 -1.728 -10.625 -0.603 1.00 0.95 C ATOM 698 CG PHE A 77 -2.241 -9.359 0.079 1.00 0.86 C ATOM 699 CD1 PHE A 77 -1.375 -8.642 0.929 1.00 1.80 C ATOM 700 CD2 PHE A 77 -3.557 -8.887 -0.114 1.00 1.49 C ATOM 701 CE1 PHE A 77 -1.812 -7.477 1.581 1.00 1.95 C ATOM 702 CE2 PHE A 77 -4.001 -7.733 0.557 1.00 1.65 C ATOM 703 CZ PHE A 77 -3.124 -7.017 1.389 1.00 1.35 C ATOM 0 H PHE A 77 -2.927 -11.976 1.143 1.00 0.88 H new ATOM 0 HA PHE A 77 -3.437 -11.390 -1.691 1.00 1.00 H new ATOM 0 HB2 PHE A 77 -0.950 -11.056 0.027 1.00 0.95 H new ATOM 0 HB3 PHE A 77 -1.255 -10.335 -1.541 1.00 0.95 H new ATOM 0 HD1 PHE A 77 -0.365 -8.992 1.081 1.00 1.80 H new ATOM 0 HD2 PHE A 77 -4.225 -9.414 -0.779 1.00 1.49 H new ATOM 0 HE1 PHE A 77 -1.139 -6.936 2.229 1.00 1.95 H new ATOM 0 HE2 PHE A 77 -5.020 -7.396 0.432 1.00 1.65 H new ATOM 0 HZ PHE A 77 -3.459 -6.115 1.880 1.00 1.35 H new ATOM 713 N GLU A 78 -2.563 -14.187 -1.097 1.00 1.21 N ATOM 714 CA GLU A 78 -2.036 -15.470 -1.566 1.00 1.38 C ATOM 715 C GLU A 78 -2.602 -15.972 -2.911 1.00 1.76 C ATOM 716 O GLU A 78 -3.754 -15.690 -3.259 1.00 2.06 O ATOM 717 CB GLU A 78 -2.217 -16.524 -0.462 1.00 1.39 C ATOM 718 CG GLU A 78 -3.651 -17.077 -0.385 1.00 1.94 C ATOM 719 CD GLU A 78 -3.844 -18.189 0.647 1.00 2.19 C ATOM 720 OE1 GLU A 78 -4.900 -18.870 0.578 1.00 3.37 O ATOM 721 OE2 GLU A 78 -2.945 -18.453 1.478 1.00 1.96 O ATOM 0 H GLU A 78 -3.322 -14.286 -0.423 1.00 1.21 H new ATOM 0 HA GLU A 78 -0.980 -15.301 -1.775 1.00 1.38 H new ATOM 0 HB2 GLU A 78 -1.525 -17.348 -0.637 1.00 1.39 H new ATOM 0 HB3 GLU A 78 -1.951 -16.084 0.499 1.00 1.39 H new ATOM 0 HG2 GLU A 78 -4.331 -16.258 -0.151 1.00 1.94 H new ATOM 0 HG3 GLU A 78 -3.935 -17.456 -1.367 1.00 1.94 H new ATOM 728 N GLY A 79 -1.824 -16.799 -3.617 1.00 1.87 N ATOM 729 CA GLY A 79 -2.217 -17.710 -4.708 1.00 2.18 C ATOM 730 C GLY A 79 -2.437 -17.044 -6.069 1.00 2.11 C ATOM 731 O GLY A 79 -2.065 -17.598 -7.108 1.00 3.05 O ATOM 0 H GLY A 79 -0.823 -16.857 -3.429 1.00 1.87 H new ATOM 0 HA2 GLY A 79 -1.447 -18.474 -4.816 1.00 2.18 H new ATOM 0 HA3 GLY A 79 -3.135 -18.221 -4.419 1.00 2.18 H new ATOM 735 N LEU A 80 -2.933 -15.808 -6.050 1.00 1.44 N ATOM 736 CA LEU A 80 -2.959 -14.886 -7.173 1.00 1.49 C ATOM 737 C LEU A 80 -1.543 -14.393 -7.532 1.00 1.55 C ATOM 738 O LEU A 80 -0.634 -14.354 -6.689 1.00 1.63 O ATOM 739 CB LEU A 80 -3.970 -13.758 -6.871 1.00 1.52 C ATOM 740 CG LEU A 80 -3.969 -13.096 -5.503 1.00 1.50 C ATOM 741 CD1 LEU A 80 -2.592 -12.661 -5.018 1.00 2.26 C ATOM 742 CD2 LEU A 80 -4.923 -11.910 -5.439 1.00 1.67 C ATOM 0 H LEU A 80 -3.347 -15.408 -5.208 1.00 1.44 H new ATOM 0 HA LEU A 80 -3.304 -15.395 -8.073 1.00 1.49 H new ATOM 0 HB2 LEU A 80 -3.816 -12.974 -7.613 1.00 1.52 H new ATOM 0 HB3 LEU A 80 -4.969 -14.162 -7.037 1.00 1.52 H new ATOM 0 HG LEU A 80 -4.315 -13.880 -4.829 1.00 1.50 H new ATOM 0 HD11 LEU A 80 -2.682 -12.198 -4.035 1.00 2.26 H new ATOM 0 HD12 LEU A 80 -1.938 -13.531 -4.951 1.00 2.26 H new ATOM 0 HD13 LEU A 80 -2.169 -11.942 -5.720 1.00 2.26 H new ATOM 0 HD21 LEU A 80 -4.889 -11.469 -4.443 1.00 1.67 H new ATOM 0 HD22 LEU A 80 -4.626 -11.164 -6.177 1.00 1.67 H new ATOM 0 HD23 LEU A 80 -5.937 -12.247 -5.652 1.00 1.67 H new ATOM 754 N SER A 81 -1.349 -14.008 -8.792 1.00 1.59 N ATOM 755 CA SER A 81 -0.112 -13.370 -9.258 1.00 1.68 C ATOM 756 C SER A 81 0.051 -11.988 -8.608 1.00 1.60 C ATOM 757 O SER A 81 -0.962 -11.347 -8.317 1.00 1.45 O ATOM 758 CB SER A 81 -0.085 -13.322 -10.798 1.00 1.83 C ATOM 759 OG SER A 81 0.418 -12.095 -11.294 1.00 2.47 O ATOM 0 H SER A 81 -2.048 -14.129 -9.525 1.00 1.59 H new ATOM 0 HA SER A 81 0.748 -13.964 -8.949 1.00 1.68 H new ATOM 0 HB2 SER A 81 0.529 -14.141 -11.173 1.00 1.83 H new ATOM 0 HB3 SER A 81 -1.093 -13.479 -11.181 1.00 1.83 H new ATOM 0 HG SER A 81 0.417 -12.113 -12.274 1.00 2.47 H new ATOM 765 N PRO A 82 1.280 -11.483 -8.387 1.00 1.77 N ATOM 766 CA PRO A 82 1.487 -10.111 -7.919 1.00 1.79 C ATOM 767 C PRO A 82 0.909 -9.078 -8.897 1.00 1.68 C ATOM 768 O PRO A 82 0.259 -8.126 -8.478 1.00 1.66 O ATOM 769 CB PRO A 82 3.001 -9.946 -7.782 1.00 2.08 C ATOM 770 CG PRO A 82 3.530 -11.371 -7.686 1.00 2.15 C ATOM 771 CD PRO A 82 2.553 -12.167 -8.542 1.00 2.03 C ATOM 0 HA PRO A 82 0.972 -9.941 -6.974 1.00 1.79 H new ATOM 0 HB2 PRO A 82 3.423 -9.422 -8.640 1.00 2.08 H new ATOM 0 HB3 PRO A 82 3.259 -9.366 -6.896 1.00 2.08 H new ATOM 0 HG2 PRO A 82 4.550 -11.448 -8.063 1.00 2.15 H new ATOM 0 HG3 PRO A 82 3.544 -11.726 -6.656 1.00 2.15 H new ATOM 0 HD2 PRO A 82 2.867 -12.187 -9.586 1.00 2.03 H new ATOM 0 HD3 PRO A 82 2.488 -13.203 -8.209 1.00 2.03 H new ATOM 779 N LEU A 83 1.071 -9.323 -10.201 1.00 1.65 N ATOM 780 CA LEU A 83 0.564 -8.501 -11.302 1.00 1.61 C ATOM 781 C LEU A 83 -0.979 -8.508 -11.319 1.00 1.58 C ATOM 782 O LEU A 83 -1.612 -7.452 -11.308 1.00 1.55 O ATOM 783 CB LEU A 83 1.191 -9.053 -12.605 1.00 1.67 C ATOM 784 CG LEU A 83 1.502 -8.013 -13.693 1.00 2.55 C ATOM 785 CD1 LEU A 83 2.161 -8.703 -14.889 1.00 3.31 C ATOM 786 CD2 LEU A 83 0.257 -7.293 -14.195 1.00 2.89 C ATOM 0 H LEU A 83 1.584 -10.140 -10.532 1.00 1.65 H new ATOM 0 HA LEU A 83 0.846 -7.454 -11.187 1.00 1.61 H new ATOM 0 HB2 LEU A 83 2.116 -9.571 -12.350 1.00 1.67 H new ATOM 0 HB3 LEU A 83 0.514 -9.798 -13.024 1.00 1.67 H new ATOM 0 HG LEU A 83 2.165 -7.276 -13.239 1.00 2.55 H new ATOM 0 HD11 LEU A 83 2.381 -7.964 -15.660 1.00 3.31 H new ATOM 0 HD12 LEU A 83 3.087 -9.180 -14.569 1.00 3.31 H new ATOM 0 HD13 LEU A 83 1.485 -9.457 -15.292 1.00 3.31 H new ATOM 0 HD21 LEU A 83 0.538 -6.571 -14.962 1.00 2.89 H new ATOM 0 HD22 LEU A 83 -0.438 -8.019 -14.618 1.00 2.89 H new ATOM 0 HD23 LEU A 83 -0.222 -6.773 -13.365 1.00 2.89 H new ATOM 798 N GLN A 84 -1.577 -9.703 -11.226 1.00 1.60 N ATOM 799 CA GLN A 84 -3.021 -9.935 -11.066 1.00 1.59 C ATOM 800 C GLN A 84 -3.573 -9.189 -9.837 1.00 1.60 C ATOM 801 O GLN A 84 -4.520 -8.415 -9.950 1.00 1.74 O ATOM 802 CB GLN A 84 -3.225 -11.462 -10.964 1.00 1.56 C ATOM 803 CG GLN A 84 -4.631 -11.989 -10.617 1.00 1.46 C ATOM 804 CD GLN A 84 -4.618 -13.496 -10.318 1.00 1.58 C ATOM 805 OE1 GLN A 84 -3.657 -14.214 -10.576 1.00 2.24 O ATOM 806 NE2 GLN A 84 -5.638 -14.039 -9.693 1.00 1.44 N ATOM 0 H GLN A 84 -1.046 -10.573 -11.262 1.00 1.60 H new ATOM 0 HA GLN A 84 -3.575 -9.543 -11.919 1.00 1.59 H new ATOM 0 HB2 GLN A 84 -2.931 -11.901 -11.917 1.00 1.56 H new ATOM 0 HB3 GLN A 84 -2.533 -11.841 -10.212 1.00 1.56 H new ATOM 0 HG2 GLN A 84 -5.018 -11.450 -9.752 1.00 1.46 H new ATOM 0 HG3 GLN A 84 -5.309 -11.789 -11.447 1.00 1.46 H new ATOM 0 HE21 GLN A 84 -6.455 -13.473 -9.462 1.00 1.44 H new ATOM 0 HE22 GLN A 84 -5.613 -15.027 -9.439 1.00 1.44 H new ATOM 815 N ARG A 85 -2.937 -9.365 -8.670 1.00 1.49 N ATOM 816 CA ARG A 85 -3.238 -8.685 -7.400 1.00 1.47 C ATOM 817 C ARG A 85 -3.234 -7.169 -7.546 1.00 1.50 C ATOM 818 O ARG A 85 -4.182 -6.504 -7.141 1.00 1.57 O ATOM 819 CB ARG A 85 -2.200 -9.145 -6.350 1.00 1.67 C ATOM 820 CG ARG A 85 -1.875 -8.162 -5.222 1.00 2.21 C ATOM 821 CD ARG A 85 -3.104 -7.942 -4.324 1.00 3.67 C ATOM 822 NE ARG A 85 -2.878 -6.900 -3.310 1.00 5.07 N ATOM 823 CZ ARG A 85 -3.799 -6.400 -2.503 1.00 6.88 C ATOM 824 NH1 ARG A 85 -5.027 -6.824 -2.514 1.00 7.72 N ATOM 825 NH2 ARG A 85 -3.497 -5.444 -1.673 1.00 8.24 N ATOM 0 H ARG A 85 -2.159 -10.019 -8.581 1.00 1.49 H new ATOM 0 HA ARG A 85 -4.244 -8.955 -7.079 1.00 1.47 H new ATOM 0 HB2 ARG A 85 -2.559 -10.071 -5.901 1.00 1.67 H new ATOM 0 HB3 ARG A 85 -1.273 -9.383 -6.871 1.00 1.67 H new ATOM 0 HG2 ARG A 85 -1.047 -8.545 -4.626 1.00 2.21 H new ATOM 0 HG3 ARG A 85 -1.551 -7.210 -5.644 1.00 2.21 H new ATOM 0 HD2 ARG A 85 -3.958 -7.664 -4.942 1.00 3.67 H new ATOM 0 HD3 ARG A 85 -3.361 -8.878 -3.828 1.00 3.67 H new ATOM 0 HE ARG A 85 -1.931 -6.532 -3.222 1.00 5.07 H new ATOM 0 HH11 ARG A 85 -5.305 -7.564 -3.158 1.00 7.72 H new ATOM 0 HH12 ARG A 85 -5.713 -6.417 -1.878 1.00 7.72 H new ATOM 0 HH21 ARG A 85 -2.546 -5.077 -1.643 1.00 8.24 H new ATOM 0 HH22 ARG A 85 -4.211 -5.062 -1.053 1.00 8.24 H new ATOM 839 N HIS A 86 -2.144 -6.613 -8.051 1.00 1.46 N ATOM 840 CA HIS A 86 -1.936 -5.175 -8.096 1.00 1.39 C ATOM 841 C HIS A 86 -2.898 -4.543 -9.110 1.00 1.51 C ATOM 842 O HIS A 86 -3.550 -3.563 -8.766 1.00 1.59 O ATOM 843 CB HIS A 86 -0.450 -4.937 -8.370 1.00 1.45 C ATOM 844 CG HIS A 86 0.490 -5.060 -7.192 1.00 1.27 C ATOM 845 ND1 HIS A 86 1.861 -5.111 -7.278 1.00 0.87 N ATOM 846 CD2 HIS A 86 0.183 -5.183 -5.862 1.00 2.07 C ATOM 847 CE1 HIS A 86 2.359 -5.268 -6.045 1.00 1.10 C ATOM 848 NE2 HIS A 86 1.371 -5.320 -5.135 1.00 1.80 N ATOM 0 H HIS A 86 -1.373 -7.152 -8.444 1.00 1.46 H new ATOM 0 HA HIS A 86 -2.171 -4.683 -7.152 1.00 1.39 H new ATOM 0 HB2 HIS A 86 -0.129 -5.643 -9.136 1.00 1.45 H new ATOM 0 HB3 HIS A 86 -0.338 -3.938 -8.791 1.00 1.45 H new ATOM 0 HD1 HIS A 86 2.407 -5.041 -8.137 1.00 0.87 H new ATOM 0 HD2 HIS A 86 -0.813 -5.175 -5.444 1.00 2.07 H new ATOM 0 HE1 HIS A 86 3.411 -5.343 -5.813 1.00 1.10 H new ATOM 856 N ARG A 87 -3.149 -5.174 -10.268 1.00 1.58 N ATOM 857 CA ARG A 87 -4.247 -4.779 -11.173 1.00 1.71 C ATOM 858 C ARG A 87 -5.622 -4.819 -10.501 1.00 1.75 C ATOM 859 O ARG A 87 -6.402 -3.893 -10.703 1.00 1.82 O ATOM 860 CB ARG A 87 -4.233 -5.654 -12.433 1.00 1.86 C ATOM 861 CG ARG A 87 -3.151 -5.165 -13.404 1.00 3.02 C ATOM 862 CD ARG A 87 -3.083 -6.081 -14.624 1.00 3.06 C ATOM 863 NE ARG A 87 -2.177 -5.552 -15.659 1.00 4.47 N ATOM 864 CZ ARG A 87 -1.716 -6.238 -16.691 1.00 5.51 C ATOM 865 NH1 ARG A 87 -2.061 -7.473 -16.916 1.00 5.64 N ATOM 866 NH2 ARG A 87 -0.873 -5.701 -17.516 1.00 6.95 N ATOM 0 H ARG A 87 -2.603 -5.967 -10.604 1.00 1.58 H new ATOM 0 HA ARG A 87 -4.072 -3.739 -11.450 1.00 1.71 H new ATOM 0 HB2 ARG A 87 -4.046 -6.693 -12.161 1.00 1.86 H new ATOM 0 HB3 ARG A 87 -5.209 -5.622 -12.918 1.00 1.86 H new ATOM 0 HG2 ARG A 87 -3.369 -4.144 -13.718 1.00 3.02 H new ATOM 0 HG3 ARG A 87 -2.184 -5.144 -12.902 1.00 3.02 H new ATOM 0 HD2 ARG A 87 -2.744 -7.070 -14.317 1.00 3.06 H new ATOM 0 HD3 ARG A 87 -4.082 -6.202 -15.043 1.00 3.06 H new ATOM 0 HE ARG A 87 -1.882 -4.579 -15.572 1.00 4.47 H new ATOM 0 HH11 ARG A 87 -2.709 -7.945 -16.285 1.00 5.64 H new ATOM 0 HH12 ARG A 87 -1.684 -7.969 -17.723 1.00 5.64 H new ATOM 0 HH21 ARG A 87 -0.560 -4.741 -17.372 1.00 6.95 H new ATOM 0 HH22 ARG A 87 -0.523 -6.238 -18.309 1.00 6.95 H new ATOM 880 N LEU A 88 -5.896 -5.812 -9.650 1.00 1.75 N ATOM 881 CA LEU A 88 -7.117 -5.872 -8.835 1.00 1.86 C ATOM 882 C LEU A 88 -7.222 -4.636 -7.916 1.00 1.83 C ATOM 883 O LEU A 88 -8.218 -3.920 -7.966 1.00 1.96 O ATOM 884 CB LEU A 88 -7.143 -7.209 -8.061 1.00 1.91 C ATOM 885 CG LEU A 88 -8.535 -7.821 -7.830 1.00 2.26 C ATOM 886 CD1 LEU A 88 -8.372 -9.186 -7.158 1.00 2.44 C ATOM 887 CD2 LEU A 88 -9.423 -6.964 -6.936 1.00 2.78 C ATOM 0 H LEU A 88 -5.272 -6.605 -9.505 1.00 1.75 H new ATOM 0 HA LEU A 88 -7.999 -5.844 -9.475 1.00 1.86 H new ATOM 0 HB2 LEU A 88 -6.534 -7.933 -8.603 1.00 1.91 H new ATOM 0 HB3 LEU A 88 -6.669 -7.055 -7.092 1.00 1.91 H new ATOM 0 HG LEU A 88 -9.013 -7.897 -8.807 1.00 2.26 H new ATOM 0 HD11 LEU A 88 -9.354 -9.628 -6.990 1.00 2.44 H new ATOM 0 HD12 LEU A 88 -7.785 -9.841 -7.802 1.00 2.44 H new ATOM 0 HD13 LEU A 88 -7.861 -9.063 -6.203 1.00 2.44 H new ATOM 0 HD21 LEU A 88 -10.391 -7.450 -6.811 1.00 2.78 H new ATOM 0 HD22 LEU A 88 -8.950 -6.843 -5.962 1.00 2.78 H new ATOM 0 HD23 LEU A 88 -9.565 -5.985 -7.395 1.00 2.78 H new ATOM 899 N VAL A 89 -6.167 -4.299 -7.161 1.00 1.72 N ATOM 900 CA VAL A 89 -6.119 -3.067 -6.339 1.00 1.76 C ATOM 901 C VAL A 89 -6.319 -1.811 -7.191 1.00 1.78 C ATOM 902 O VAL A 89 -7.049 -0.906 -6.811 1.00 1.88 O ATOM 903 CB VAL A 89 -4.780 -2.929 -5.579 1.00 1.81 C ATOM 904 CG1 VAL A 89 -4.695 -1.650 -4.731 1.00 1.91 C ATOM 905 CG2 VAL A 89 -4.557 -4.090 -4.615 1.00 1.86 C ATOM 0 H VAL A 89 -5.322 -4.867 -7.098 1.00 1.72 H new ATOM 0 HA VAL A 89 -6.934 -3.158 -5.621 1.00 1.76 H new ATOM 0 HB VAL A 89 -4.025 -2.908 -6.365 1.00 1.81 H new ATOM 0 HG11 VAL A 89 -3.731 -1.613 -4.223 1.00 1.91 H new ATOM 0 HG12 VAL A 89 -4.798 -0.778 -5.377 1.00 1.91 H new ATOM 0 HG13 VAL A 89 -5.495 -1.650 -3.991 1.00 1.91 H new ATOM 0 HG21 VAL A 89 -3.606 -3.957 -4.100 1.00 1.86 H new ATOM 0 HG22 VAL A 89 -5.365 -4.116 -3.884 1.00 1.86 H new ATOM 0 HG23 VAL A 89 -4.540 -5.027 -5.172 1.00 1.86 H new ATOM 915 N HIS A 90 -5.683 -1.748 -8.350 1.00 1.71 N ATOM 916 CA HIS A 90 -5.592 -0.551 -9.180 1.00 1.72 C ATOM 917 C HIS A 90 -6.875 -0.288 -9.973 1.00 1.90 C ATOM 918 O HIS A 90 -7.191 0.869 -10.233 1.00 2.03 O ATOM 919 CB HIS A 90 -4.386 -0.666 -10.129 1.00 1.68 C ATOM 920 CG HIS A 90 -3.021 -0.746 -9.479 1.00 1.53 C ATOM 921 ND1 HIS A 90 -1.853 -1.104 -10.119 1.00 1.39 N ATOM 922 CD2 HIS A 90 -2.694 -0.516 -8.165 1.00 1.70 C ATOM 923 CE1 HIS A 90 -0.852 -1.071 -9.228 1.00 1.42 C ATOM 924 NE2 HIS A 90 -1.313 -0.680 -8.028 1.00 1.63 N ATOM 0 H HIS A 90 -5.200 -2.551 -8.754 1.00 1.71 H new ATOM 0 HA HIS A 90 -5.455 0.301 -8.514 1.00 1.72 H new ATOM 0 HB2 HIS A 90 -4.522 -1.553 -10.748 1.00 1.68 H new ATOM 0 HB3 HIS A 90 -4.395 0.194 -10.799 1.00 1.68 H new ATOM 0 HD1 HIS A 90 -1.766 -1.352 -11.104 1.00 1.39 H new ATOM 0 HD2 HIS A 90 -3.383 -0.254 -7.376 1.00 1.70 H new ATOM 0 HE1 HIS A 90 0.176 -1.322 -9.443 1.00 1.42 H new ATOM 932 N ALA A 91 -7.606 -1.321 -10.398 1.00 1.99 N ATOM 933 CA ALA A 91 -8.909 -1.159 -11.037 1.00 2.22 C ATOM 934 C ALA A 91 -10.125 -1.209 -10.107 1.00 2.38 C ATOM 935 O ALA A 91 -11.117 -0.528 -10.387 1.00 2.62 O ATOM 936 CB ALA A 91 -9.009 -2.146 -12.202 1.00 2.53 C ATOM 0 H ALA A 91 -7.309 -2.293 -10.308 1.00 1.99 H new ATOM 0 HA ALA A 91 -8.952 -0.134 -11.405 1.00 2.22 H new ATOM 0 HB1 ALA A 91 -9.978 -2.037 -12.689 1.00 2.53 H new ATOM 0 HB2 ALA A 91 -8.216 -1.942 -12.921 1.00 2.53 H new ATOM 0 HB3 ALA A 91 -8.905 -3.164 -11.826 1.00 2.53 H new ATOM 942 N ALA A 92 -10.064 -1.993 -9.026 1.00 2.33 N ATOM 943 CA ALA A 92 -11.154 -2.096 -8.061 1.00 2.50 C ATOM 944 C ALA A 92 -11.043 -1.091 -6.930 1.00 2.47 C ATOM 945 O ALA A 92 -12.056 -0.516 -6.523 1.00 2.72 O ATOM 946 CB ALA A 92 -11.208 -3.509 -7.467 1.00 2.53 C ATOM 0 H ALA A 92 -9.256 -2.573 -8.799 1.00 2.33 H new ATOM 0 HA ALA A 92 -12.069 -1.876 -8.611 1.00 2.50 H new ATOM 0 HB1 ALA A 92 -12.026 -3.571 -6.749 1.00 2.53 H new ATOM 0 HB2 ALA A 92 -11.370 -4.233 -8.265 1.00 2.53 H new ATOM 0 HB3 ALA A 92 -10.266 -3.728 -6.964 1.00 2.53 H new ATOM 952 N LEU A 93 -9.837 -0.918 -6.385 1.00 2.14 N ATOM 953 CA LEU A 93 -9.644 -0.259 -5.090 1.00 1.99 C ATOM 954 C LEU A 93 -8.825 1.018 -5.176 1.00 1.53 C ATOM 955 O LEU A 93 -8.353 1.547 -4.165 1.00 1.37 O ATOM 956 CB LEU A 93 -8.998 -1.222 -4.115 1.00 2.17 C ATOM 957 CG LEU A 93 -9.799 -2.495 -3.797 1.00 2.96 C ATOM 958 CD1 LEU A 93 -9.325 -2.851 -2.413 1.00 2.13 C ATOM 959 CD2 LEU A 93 -11.324 -2.403 -3.715 1.00 3.97 C ATOM 0 H LEU A 93 -8.971 -1.228 -6.825 1.00 2.14 H new ATOM 0 HA LEU A 93 -10.634 0.032 -4.738 1.00 1.99 H new ATOM 0 HB2 LEU A 93 -8.028 -1.517 -4.515 1.00 2.17 H new ATOM 0 HB3 LEU A 93 -8.810 -0.692 -3.181 1.00 2.17 H new ATOM 0 HG LEU A 93 -9.627 -3.193 -4.617 1.00 2.96 H new ATOM 0 HD11 LEU A 93 -9.833 -3.754 -2.076 1.00 2.13 H new ATOM 0 HD12 LEU A 93 -8.249 -3.025 -2.430 1.00 2.13 H new ATOM 0 HD13 LEU A 93 -9.549 -2.032 -1.730 1.00 2.13 H new ATOM 0 HD21 LEU A 93 -11.736 -3.385 -3.483 1.00 3.97 H new ATOM 0 HD22 LEU A 93 -11.604 -1.698 -2.932 1.00 3.97 H new ATOM 0 HD23 LEU A 93 -11.720 -2.060 -4.671 1.00 3.97 H new ATOM 971 N ALA A 94 -8.684 1.532 -6.391 1.00 1.49 N ATOM 972 CA ALA A 94 -7.997 2.806 -6.567 1.00 1.24 C ATOM 973 C ALA A 94 -8.602 3.929 -5.702 1.00 1.13 C ATOM 974 O ALA A 94 -7.851 4.783 -5.243 1.00 1.10 O ATOM 975 CB ALA A 94 -7.908 3.163 -8.049 1.00 1.62 C ATOM 0 H ALA A 94 -9.026 1.100 -7.250 1.00 1.49 H new ATOM 0 HA ALA A 94 -6.976 2.694 -6.201 1.00 1.24 H new ATOM 0 HB1 ALA A 94 -7.393 4.117 -8.163 1.00 1.62 H new ATOM 0 HB2 ALA A 94 -7.356 2.386 -8.578 1.00 1.62 H new ATOM 0 HB3 ALA A 94 -8.912 3.241 -8.465 1.00 1.62 H new ATOM 981 N GLU A 95 -9.891 3.918 -5.361 1.00 1.29 N ATOM 982 CA GLU A 95 -10.462 4.926 -4.457 1.00 1.42 C ATOM 983 C GLU A 95 -10.253 4.615 -2.962 1.00 1.63 C ATOM 984 O GLU A 95 -10.302 5.521 -2.122 1.00 1.87 O ATOM 985 CB GLU A 95 -11.938 5.123 -4.825 1.00 1.72 C ATOM 986 CG GLU A 95 -12.510 6.431 -4.268 1.00 2.26 C ATOM 987 CD GLU A 95 -13.849 6.754 -4.933 1.00 2.80 C ATOM 988 OE1 GLU A 95 -13.867 7.020 -6.160 1.00 3.25 O ATOM 989 OE2 GLU A 95 -14.901 6.665 -4.257 1.00 3.75 O ATOM 0 H GLU A 95 -10.561 3.225 -5.695 1.00 1.29 H new ATOM 0 HA GLU A 95 -9.922 5.862 -4.599 1.00 1.42 H new ATOM 0 HB2 GLU A 95 -12.043 5.117 -5.910 1.00 1.72 H new ATOM 0 HB3 GLU A 95 -12.520 4.284 -4.444 1.00 1.72 H new ATOM 0 HG2 GLU A 95 -12.643 6.347 -3.189 1.00 2.26 H new ATOM 0 HG3 GLU A 95 -11.806 7.245 -4.439 1.00 2.26 H new ATOM 996 N GLU A 96 -9.970 3.362 -2.589 1.00 1.63 N ATOM 997 CA GLU A 96 -9.745 2.947 -1.235 1.00 1.82 C ATOM 998 C GLU A 96 -8.305 3.231 -0.803 1.00 1.67 C ATOM 999 O GLU A 96 -8.082 3.798 0.267 1.00 1.96 O ATOM 1000 CB GLU A 96 -10.006 1.456 -1.222 1.00 1.90 C ATOM 1001 CG GLU A 96 -11.461 1.090 -1.504 1.00 2.05 C ATOM 1002 CD GLU A 96 -12.062 0.233 -0.389 1.00 1.85 C ATOM 1003 OE1 GLU A 96 -11.960 -1.009 -0.430 1.00 2.74 O ATOM 1004 OE2 GLU A 96 -12.598 0.798 0.600 1.00 1.97 O ATOM 0 H GLU A 96 -9.893 2.596 -3.259 1.00 1.63 H new ATOM 0 HA GLU A 96 -10.392 3.487 -0.544 1.00 1.82 H new ATOM 0 HB2 GLU A 96 -9.369 0.977 -1.965 1.00 1.90 H new ATOM 0 HB3 GLU A 96 -9.720 1.054 -0.250 1.00 1.90 H new ATOM 0 HG2 GLU A 96 -12.049 2.001 -1.618 1.00 2.05 H new ATOM 0 HG3 GLU A 96 -11.523 0.551 -2.449 1.00 2.05 H new ATOM 1011 N LEU A 97 -7.342 2.834 -1.645 1.00 1.34 N ATOM 1012 CA LEU A 97 -5.903 3.027 -1.426 1.00 1.30 C ATOM 1013 C LEU A 97 -5.278 4.167 -2.224 1.00 1.28 C ATOM 1014 O LEU A 97 -4.382 4.845 -1.727 1.00 1.36 O ATOM 1015 CB LEU A 97 -5.218 1.712 -1.784 1.00 1.42 C ATOM 1016 CG LEU A 97 -3.812 1.512 -1.185 1.00 1.39 C ATOM 1017 CD1 LEU A 97 -3.861 1.281 0.328 1.00 2.68 C ATOM 1018 CD2 LEU A 97 -3.147 0.290 -1.820 1.00 2.17 C ATOM 0 H LEU A 97 -7.549 2.356 -2.522 1.00 1.34 H new ATOM 0 HA LEU A 97 -5.764 3.310 -0.383 1.00 1.30 H new ATOM 0 HB2 LEU A 97 -5.854 0.890 -1.456 1.00 1.42 H new ATOM 0 HB3 LEU A 97 -5.145 1.644 -2.869 1.00 1.42 H new ATOM 0 HG LEU A 97 -3.247 2.422 -1.389 1.00 1.39 H new ATOM 0 HD11 LEU A 97 -2.849 1.145 0.708 1.00 2.68 H new ATOM 0 HD12 LEU A 97 -4.318 2.144 0.813 1.00 2.68 H new ATOM 0 HD13 LEU A 97 -4.451 0.390 0.541 1.00 2.68 H new ATOM 0 HD21 LEU A 97 -2.153 0.153 -1.393 1.00 2.17 H new ATOM 0 HD22 LEU A 97 -3.751 -0.596 -1.624 1.00 2.17 H new ATOM 0 HD23 LEU A 97 -3.062 0.440 -2.896 1.00 2.17 H new ATOM 1030 N GLY A 98 -5.753 4.408 -3.448 1.00 1.35 N ATOM 1031 CA GLY A 98 -5.270 5.503 -4.284 1.00 1.53 C ATOM 1032 C GLY A 98 -5.994 6.809 -3.960 1.00 1.35 C ATOM 1033 O GLY A 98 -5.968 7.754 -4.743 1.00 1.65 O ATOM 0 H GLY A 98 -6.484 3.847 -3.886 1.00 1.35 H new ATOM 0 HA2 GLY A 98 -4.198 5.632 -4.135 1.00 1.53 H new ATOM 0 HA3 GLY A 98 -5.418 5.254 -5.335 1.00 1.53 H new ATOM 1037 N GLY A 99 -6.708 6.833 -2.834 1.00 1.34 N ATOM 1038 CA GLY A 99 -7.570 7.948 -2.435 1.00 1.75 C ATOM 1039 C GLY A 99 -6.800 9.270 -2.315 1.00 1.85 C ATOM 1040 O GLY A 99 -7.106 10.216 -3.049 1.00 2.08 O ATOM 0 H GLY A 99 -6.704 6.066 -2.162 1.00 1.34 H new ATOM 0 HA2 GLY A 99 -8.372 8.063 -3.165 1.00 1.75 H new ATOM 0 HA3 GLY A 99 -8.040 7.716 -1.479 1.00 1.75 H new ATOM 1044 N PRO A 100 -5.771 9.335 -1.448 1.00 1.82 N ATOM 1045 CA PRO A 100 -5.090 10.586 -1.125 1.00 2.01 C ATOM 1046 C PRO A 100 -3.809 10.859 -1.947 1.00 1.73 C ATOM 1047 O PRO A 100 -3.205 11.925 -1.811 1.00 1.84 O ATOM 1048 CB PRO A 100 -4.836 10.455 0.374 1.00 2.29 C ATOM 1049 CG PRO A 100 -4.476 8.979 0.534 1.00 2.13 C ATOM 1050 CD PRO A 100 -5.431 8.315 -0.457 1.00 1.87 C ATOM 0 HA PRO A 100 -5.691 11.457 -1.386 1.00 2.01 H new ATOM 0 HB2 PRO A 100 -4.027 11.106 0.705 1.00 2.29 H new ATOM 0 HB3 PRO A 100 -5.717 10.721 0.957 1.00 2.29 H new ATOM 0 HG2 PRO A 100 -3.432 8.784 0.289 1.00 2.13 H new ATOM 0 HG3 PRO A 100 -4.635 8.627 1.553 1.00 2.13 H new ATOM 0 HD2 PRO A 100 -4.961 7.454 -0.932 1.00 1.87 H new ATOM 0 HD3 PRO A 100 -6.325 7.952 0.049 1.00 1.87 H new ATOM 1058 N VAL A 101 -3.396 9.914 -2.794 1.00 1.48 N ATOM 1059 CA VAL A 101 -2.228 9.895 -3.667 1.00 1.28 C ATOM 1060 C VAL A 101 -2.629 10.060 -5.130 1.00 1.40 C ATOM 1061 O VAL A 101 -3.741 9.713 -5.544 1.00 1.67 O ATOM 1062 CB VAL A 101 -1.523 8.544 -3.459 1.00 1.19 C ATOM 1063 CG1 VAL A 101 -1.057 8.313 -2.020 1.00 1.73 C ATOM 1064 CG2 VAL A 101 -2.383 7.331 -3.817 1.00 2.60 C ATOM 0 H VAL A 101 -3.932 9.052 -2.893 1.00 1.48 H new ATOM 0 HA VAL A 101 -1.565 10.724 -3.421 1.00 1.28 H new ATOM 0 HB VAL A 101 -0.673 8.622 -4.137 1.00 1.19 H new ATOM 0 HG11 VAL A 101 -0.569 7.341 -1.947 1.00 1.73 H new ATOM 0 HG12 VAL A 101 -0.353 9.095 -1.736 1.00 1.73 H new ATOM 0 HG13 VAL A 101 -1.917 8.338 -1.351 1.00 1.73 H new ATOM 0 HG21 VAL A 101 -1.814 6.418 -3.643 1.00 2.60 H new ATOM 0 HG22 VAL A 101 -3.279 7.324 -3.196 1.00 2.60 H new ATOM 0 HG23 VAL A 101 -2.669 7.385 -4.867 1.00 2.60 H new ATOM 1074 N HIS A 102 -1.680 10.512 -5.938 1.00 1.44 N ATOM 1075 CA HIS A 102 -1.727 10.396 -7.394 1.00 1.69 C ATOM 1076 C HIS A 102 -0.863 9.210 -7.878 1.00 1.72 C ATOM 1077 O HIS A 102 -1.224 8.530 -8.847 1.00 2.08 O ATOM 1078 CB HIS A 102 -1.391 11.767 -7.997 1.00 1.83 C ATOM 1079 CG HIS A 102 -0.107 11.799 -8.745 1.00 3.08 C ATOM 1080 ND1 HIS A 102 0.085 11.864 -10.099 1.00 4.13 N ATOM 1081 CD2 HIS A 102 1.097 11.632 -8.149 1.00 4.18 C ATOM 1082 CE1 HIS A 102 1.405 11.743 -10.320 1.00 5.92 C ATOM 1083 NE2 HIS A 102 2.066 11.611 -9.158 1.00 6.05 N ATOM 0 H HIS A 102 -0.840 10.978 -5.597 1.00 1.44 H new ATOM 0 HA HIS A 102 -2.725 10.143 -7.752 1.00 1.69 H new ATOM 0 HB2 HIS A 102 -2.198 12.066 -8.667 1.00 1.83 H new ATOM 0 HB3 HIS A 102 -1.352 12.505 -7.196 1.00 1.83 H new ATOM 0 HD1 HIS A 102 -0.639 11.982 -10.808 1.00 4.13 H new ATOM 0 HD2 HIS A 102 1.277 11.533 -7.089 1.00 4.18 H new ATOM 0 HE1 HIS A 102 1.869 11.751 -11.295 1.00 5.92 H new ATOM 1091 N ALA A 103 0.224 8.907 -7.152 1.00 1.40 N ATOM 1092 CA ALA A 103 1.148 7.814 -7.425 1.00 1.33 C ATOM 1093 C ALA A 103 1.556 7.075 -6.148 1.00 1.10 C ATOM 1094 O ALA A 103 1.783 7.656 -5.085 1.00 0.98 O ATOM 1095 CB ALA A 103 2.398 8.313 -8.138 1.00 1.36 C ATOM 0 H ALA A 103 0.487 9.444 -6.326 1.00 1.40 H new ATOM 0 HA ALA A 103 0.617 7.117 -8.073 1.00 1.33 H new ATOM 0 HB1 ALA A 103 3.068 7.474 -8.328 1.00 1.36 H new ATOM 0 HB2 ALA A 103 2.117 8.775 -9.085 1.00 1.36 H new ATOM 0 HB3 ALA A 103 2.905 9.048 -7.512 1.00 1.36 H new ATOM 1101 N LEU A 104 1.716 5.768 -6.284 1.00 1.13 N ATOM 1102 CA LEU A 104 2.261 4.896 -5.273 1.00 1.01 C ATOM 1103 C LEU A 104 2.876 3.627 -5.862 1.00 1.01 C ATOM 1104 O LEU A 104 2.297 3.014 -6.765 1.00 1.29 O ATOM 1105 CB LEU A 104 1.199 4.578 -4.219 1.00 1.16 C ATOM 1106 CG LEU A 104 0.044 3.610 -4.538 1.00 1.39 C ATOM 1107 CD1 LEU A 104 -0.757 3.446 -3.243 1.00 1.52 C ATOM 1108 CD2 LEU A 104 -0.888 4.090 -5.651 1.00 1.66 C ATOM 0 H LEU A 104 1.458 5.273 -7.138 1.00 1.13 H new ATOM 0 HA LEU A 104 3.080 5.426 -4.787 1.00 1.01 H new ATOM 0 HB2 LEU A 104 1.720 4.181 -3.348 1.00 1.16 H new ATOM 0 HB3 LEU A 104 0.751 5.525 -3.918 1.00 1.16 H new ATOM 0 HG LEU A 104 0.472 2.676 -4.901 1.00 1.39 H new ATOM 0 HD11 LEU A 104 -1.592 2.766 -3.415 1.00 1.52 H new ATOM 0 HD12 LEU A 104 -0.111 3.039 -2.465 1.00 1.52 H new ATOM 0 HD13 LEU A 104 -1.139 4.416 -2.926 1.00 1.52 H new ATOM 0 HD21 LEU A 104 -1.673 3.351 -5.812 1.00 1.66 H new ATOM 0 HD22 LEU A 104 -1.338 5.040 -5.364 1.00 1.66 H new ATOM 0 HD23 LEU A 104 -0.318 4.221 -6.571 1.00 1.66 H new ATOM 1120 N ALA A 105 4.009 3.210 -5.310 1.00 0.89 N ATOM 1121 CA ALA A 105 4.562 1.880 -5.544 1.00 1.04 C ATOM 1122 C ALA A 105 4.197 0.950 -4.378 1.00 0.84 C ATOM 1123 O ALA A 105 4.413 1.298 -3.213 1.00 0.79 O ATOM 1124 CB ALA A 105 6.066 1.993 -5.769 1.00 1.38 C ATOM 0 H ALA A 105 4.573 3.786 -4.685 1.00 0.89 H new ATOM 0 HA ALA A 105 4.132 1.438 -6.443 1.00 1.04 H new ATOM 0 HB1 ALA A 105 6.483 1.001 -5.944 1.00 1.38 H new ATOM 0 HB2 ALA A 105 6.258 2.626 -6.636 1.00 1.38 H new ATOM 0 HB3 ALA A 105 6.534 2.433 -4.888 1.00 1.38 H new ATOM 1130 N ILE A 106 3.633 -0.218 -4.679 1.00 0.77 N ATOM 1131 CA ILE A 106 3.204 -1.214 -3.696 1.00 0.57 C ATOM 1132 C ILE A 106 3.903 -2.557 -3.913 1.00 0.50 C ATOM 1133 O ILE A 106 4.246 -2.920 -5.040 1.00 0.54 O ATOM 1134 CB ILE A 106 1.669 -1.376 -3.726 1.00 0.60 C ATOM 1135 CG1 ILE A 106 1.139 -1.640 -5.154 1.00 0.90 C ATOM 1136 CG2 ILE A 106 1.000 -0.138 -3.107 1.00 0.81 C ATOM 1137 CD1 ILE A 106 -0.319 -2.087 -5.170 1.00 1.42 C ATOM 0 H ILE A 106 3.456 -0.507 -5.641 1.00 0.77 H new ATOM 0 HA ILE A 106 3.494 -0.855 -2.708 1.00 0.57 H new ATOM 0 HB ILE A 106 1.413 -2.253 -3.131 1.00 0.60 H new ATOM 0 HG12 ILE A 106 1.243 -0.732 -5.749 1.00 0.90 H new ATOM 0 HG13 ILE A 106 1.754 -2.404 -5.629 1.00 0.90 H new ATOM 0 HG21 ILE A 106 -0.083 -0.259 -3.132 1.00 0.81 H new ATOM 0 HG22 ILE A 106 1.329 -0.025 -2.074 1.00 0.81 H new ATOM 0 HG23 ILE A 106 1.279 0.749 -3.676 1.00 0.81 H new ATOM 0 HD11 ILE A 106 -0.636 -2.257 -6.199 1.00 1.42 H new ATOM 0 HD12 ILE A 106 -0.423 -3.011 -4.601 1.00 1.42 H new ATOM 0 HD13 ILE A 106 -0.942 -1.313 -4.722 1.00 1.42 H new ATOM 1149 N GLN A 107 4.069 -3.320 -2.832 1.00 0.50 N ATOM 1150 CA GLN A 107 4.384 -4.751 -2.891 1.00 0.51 C ATOM 1151 C GLN A 107 3.466 -5.533 -1.936 1.00 0.54 C ATOM 1152 O GLN A 107 3.605 -5.410 -0.718 1.00 0.69 O ATOM 1153 CB GLN A 107 5.875 -4.985 -2.569 1.00 0.63 C ATOM 1154 CG GLN A 107 6.861 -4.212 -3.465 1.00 0.74 C ATOM 1155 CD GLN A 107 8.305 -4.537 -3.096 1.00 1.92 C ATOM 1156 OE1 GLN A 107 8.915 -3.896 -2.248 1.00 2.83 O ATOM 1157 NE2 GLN A 107 8.904 -5.545 -3.684 1.00 3.05 N ATOM 0 H GLN A 107 3.988 -2.960 -1.881 1.00 0.50 H new ATOM 0 HA GLN A 107 4.204 -5.118 -3.902 1.00 0.51 H new ATOM 0 HB2 GLN A 107 6.055 -4.707 -1.531 1.00 0.63 H new ATOM 0 HB3 GLN A 107 6.087 -6.051 -2.655 1.00 0.63 H new ATOM 0 HG2 GLN A 107 6.683 -4.465 -4.510 1.00 0.74 H new ATOM 0 HG3 GLN A 107 6.688 -3.141 -3.363 1.00 0.74 H new ATOM 0 HE21 GLN A 107 8.411 -6.089 -4.392 1.00 3.05 H new ATOM 0 HE22 GLN A 107 9.863 -5.785 -3.433 1.00 3.05 H new ATOM 1166 N ALA A 108 2.514 -6.309 -2.472 1.00 0.66 N ATOM 1167 CA ALA A 108 1.471 -7.001 -1.701 1.00 0.73 C ATOM 1168 C ALA A 108 1.656 -8.528 -1.660 1.00 0.93 C ATOM 1169 O ALA A 108 1.585 -9.204 -2.687 1.00 1.35 O ATOM 1170 CB ALA A 108 0.103 -6.596 -2.249 1.00 1.03 C ATOM 0 H ALA A 108 2.446 -6.477 -3.476 1.00 0.66 H new ATOM 0 HA ALA A 108 1.551 -6.689 -0.660 1.00 0.73 H new ATOM 0 HB1 ALA A 108 -0.680 -7.103 -1.685 1.00 1.03 H new ATOM 0 HB2 ALA A 108 -0.022 -5.517 -2.154 1.00 1.03 H new ATOM 0 HB3 ALA A 108 0.034 -6.878 -3.300 1.00 1.03 H new ATOM 1176 N ARG A 109 1.921 -9.060 -0.461 1.00 0.75 N ATOM 1177 CA ARG A 109 2.715 -10.288 -0.239 1.00 0.66 C ATOM 1178 C ARG A 109 2.222 -11.137 0.948 1.00 0.49 C ATOM 1179 O ARG A 109 1.253 -10.772 1.616 1.00 0.49 O ATOM 1180 CB ARG A 109 4.166 -9.786 -0.083 1.00 0.92 C ATOM 1181 CG ARG A 109 4.849 -9.717 -1.456 1.00 1.41 C ATOM 1182 CD ARG A 109 6.076 -8.812 -1.421 1.00 1.04 C ATOM 1183 NE ARG A 109 6.812 -8.925 -2.692 1.00 1.42 N ATOM 1184 CZ ARG A 109 8.116 -8.862 -2.879 1.00 1.69 C ATOM 1185 NH1 ARG A 109 8.958 -8.699 -1.903 1.00 2.65 N ATOM 1186 NH2 ARG A 109 8.599 -8.962 -4.082 1.00 2.29 N ATOM 0 H ARG A 109 1.584 -8.643 0.407 1.00 0.75 H new ATOM 0 HA ARG A 109 2.619 -10.985 -1.071 1.00 0.66 H new ATOM 0 HB2 ARG A 109 4.170 -8.801 0.384 1.00 0.92 H new ATOM 0 HB3 ARG A 109 4.722 -10.454 0.575 1.00 0.92 H new ATOM 0 HG2 ARG A 109 5.143 -10.719 -1.769 1.00 1.41 H new ATOM 0 HG3 ARG A 109 4.142 -9.346 -2.198 1.00 1.41 H new ATOM 0 HD2 ARG A 109 5.773 -7.778 -1.256 1.00 1.04 H new ATOM 0 HD3 ARG A 109 6.722 -9.091 -0.589 1.00 1.04 H new ATOM 0 HE ARG A 109 6.245 -9.069 -3.528 1.00 1.42 H new ATOM 0 HH11 ARG A 109 8.618 -8.614 -0.945 1.00 2.65 H new ATOM 0 HH12 ARG A 109 9.959 -8.656 -2.095 1.00 2.65 H new ATOM 0 HH21 ARG A 109 7.970 -9.088 -4.875 1.00 2.29 H new ATOM 0 HH22 ARG A 109 9.607 -8.914 -4.233 1.00 2.29 H new ATOM 1200 N THR A 110 2.873 -12.272 1.230 1.00 0.54 N ATOM 1201 CA THR A 110 2.365 -13.298 2.169 1.00 0.57 C ATOM 1202 C THR A 110 3.150 -13.424 3.498 1.00 0.54 C ATOM 1203 O THR A 110 4.361 -13.151 3.582 1.00 0.55 O ATOM 1204 CB THR A 110 2.167 -14.643 1.448 1.00 0.73 C ATOM 1205 OG1 THR A 110 3.325 -15.027 0.754 1.00 0.90 O ATOM 1206 CG2 THR A 110 1.055 -14.535 0.404 1.00 0.78 C ATOM 0 H THR A 110 3.773 -12.512 0.814 1.00 0.54 H new ATOM 0 HA THR A 110 1.389 -12.943 2.500 1.00 0.57 H new ATOM 0 HB THR A 110 1.921 -15.373 2.219 1.00 0.73 H new ATOM 0 HG1 THR A 110 3.169 -15.885 0.308 1.00 0.90 H new ATOM 0 HG21 THR A 110 0.930 -15.496 -0.095 1.00 0.78 H new ATOM 0 HG22 THR A 110 0.122 -14.256 0.894 1.00 0.78 H new ATOM 0 HG23 THR A 110 1.319 -13.776 -0.332 1.00 0.78 H new ATOM 1214 N PRO A 111 2.458 -13.793 4.596 1.00 0.56 N ATOM 1215 CA PRO A 111 2.949 -13.559 5.952 1.00 0.67 C ATOM 1216 C PRO A 111 4.223 -14.328 6.264 1.00 0.89 C ATOM 1217 O PRO A 111 5.216 -13.699 6.611 1.00 1.12 O ATOM 1218 CB PRO A 111 1.780 -13.875 6.891 1.00 0.75 C ATOM 1219 CG PRO A 111 0.903 -14.819 6.073 1.00 0.93 C ATOM 1220 CD PRO A 111 1.089 -14.290 4.657 1.00 0.75 C ATOM 0 HA PRO A 111 3.259 -12.522 6.083 1.00 0.67 H new ATOM 0 HB2 PRO A 111 2.123 -14.345 7.813 1.00 0.75 H new ATOM 0 HB3 PRO A 111 1.240 -12.972 7.175 1.00 0.75 H new ATOM 0 HG2 PRO A 111 1.226 -15.856 6.165 1.00 0.93 H new ATOM 0 HG3 PRO A 111 -0.140 -14.780 6.388 1.00 0.93 H new ATOM 0 HD2 PRO A 111 0.925 -15.077 3.921 1.00 0.75 H new ATOM 0 HD3 PRO A 111 0.375 -13.496 4.439 1.00 0.75 H new ATOM 1228 N ALA A 112 4.296 -15.642 6.053 1.00 1.06 N ATOM 1229 CA ALA A 112 5.541 -16.355 6.330 1.00 1.43 C ATOM 1230 C ALA A 112 6.656 -16.055 5.298 1.00 1.25 C ATOM 1231 O ALA A 112 7.822 -16.358 5.557 1.00 1.36 O ATOM 1232 CB ALA A 112 5.250 -17.848 6.448 1.00 1.88 C ATOM 0 H ALA A 112 3.532 -16.220 5.702 1.00 1.06 H new ATOM 0 HA ALA A 112 5.935 -15.993 7.280 1.00 1.43 H new ATOM 0 HB1 ALA A 112 6.176 -18.384 6.655 1.00 1.88 H new ATOM 0 HB2 ALA A 112 4.543 -18.018 7.260 1.00 1.88 H new ATOM 0 HB3 ALA A 112 4.822 -18.210 5.513 1.00 1.88 H new ATOM 1238 N GLN A 113 6.352 -15.438 4.143 1.00 1.04 N ATOM 1239 CA GLN A 113 7.372 -14.814 3.286 1.00 1.03 C ATOM 1240 C GLN A 113 8.055 -13.686 4.076 1.00 0.97 C ATOM 1241 O GLN A 113 9.286 -13.687 4.231 1.00 1.04 O ATOM 1242 CB GLN A 113 6.754 -14.351 1.938 1.00 1.31 C ATOM 1243 CG GLN A 113 6.839 -12.847 1.604 1.00 1.62 C ATOM 1244 CD GLN A 113 6.443 -12.560 0.165 1.00 1.65 C ATOM 1245 OE1 GLN A 113 5.340 -12.862 -0.266 1.00 1.56 O ATOM 1246 NE2 GLN A 113 7.311 -11.989 -0.636 1.00 3.05 N ATOM 0 H GLN A 113 5.402 -15.359 3.781 1.00 1.04 H new ATOM 0 HA GLN A 113 8.141 -15.537 3.014 1.00 1.03 H new ATOM 0 HB2 GLN A 113 7.242 -14.904 1.135 1.00 1.31 H new ATOM 0 HB3 GLN A 113 5.703 -14.640 1.931 1.00 1.31 H new ATOM 0 HG2 GLN A 113 6.188 -12.289 2.277 1.00 1.62 H new ATOM 0 HG3 GLN A 113 7.856 -12.494 1.778 1.00 1.62 H new ATOM 0 HE21 GLN A 113 8.235 -11.732 -0.287 1.00 3.05 H new ATOM 0 HE22 GLN A 113 7.062 -11.802 -1.607 1.00 3.05 H new ATOM 1255 N TRP A 114 7.231 -12.784 4.638 1.00 0.91 N ATOM 1256 CA TRP A 114 7.724 -11.684 5.483 1.00 0.92 C ATOM 1257 C TRP A 114 8.472 -12.174 6.726 1.00 1.03 C ATOM 1258 O TRP A 114 9.485 -11.592 7.121 1.00 1.12 O ATOM 1259 CB TRP A 114 6.559 -10.808 5.952 1.00 0.86 C ATOM 1260 CG TRP A 114 6.993 -9.588 6.682 1.00 0.88 C ATOM 1261 CD1 TRP A 114 7.199 -9.490 8.011 1.00 0.95 C ATOM 1262 CD2 TRP A 114 7.223 -8.258 6.145 1.00 0.90 C ATOM 1263 NE1 TRP A 114 7.712 -8.249 8.309 1.00 0.92 N ATOM 1264 CE2 TRP A 114 7.703 -7.429 7.204 1.00 0.88 C ATOM 1265 CE3 TRP A 114 6.994 -7.654 4.892 1.00 1.01 C ATOM 1266 CZ2 TRP A 114 7.971 -6.069 7.028 1.00 0.93 C ATOM 1267 CZ3 TRP A 114 7.184 -6.273 4.739 1.00 1.10 C ATOM 1268 CH2 TRP A 114 7.686 -5.483 5.786 1.00 1.04 C ATOM 0 H TRP A 114 6.218 -12.796 4.521 1.00 0.91 H new ATOM 0 HA TRP A 114 8.418 -11.118 4.861 1.00 0.92 H new ATOM 0 HB2 TRP A 114 5.965 -10.513 5.087 1.00 0.86 H new ATOM 0 HB3 TRP A 114 5.909 -11.397 6.599 1.00 0.86 H new ATOM 0 HD1 TRP A 114 6.993 -10.267 8.732 1.00 0.95 H new ATOM 0 HE1 TRP A 114 8.054 -7.973 9.229 1.00 0.92 H new ATOM 0 HE3 TRP A 114 6.673 -8.253 4.052 1.00 1.01 H new ATOM 0 HZ2 TRP A 114 8.389 -5.481 7.832 1.00 0.93 H new ATOM 0 HZ3 TRP A 114 6.939 -5.807 3.796 1.00 1.10 H new ATOM 0 HH2 TRP A 114 7.852 -4.427 5.635 1.00 1.04 H new ATOM 1279 N ARG A 115 7.984 -13.253 7.349 1.00 1.08 N ATOM 1280 CA ARG A 115 8.586 -13.803 8.583 1.00 1.26 C ATOM 1281 C ARG A 115 10.002 -14.320 8.342 1.00 1.38 C ATOM 1282 O ARG A 115 10.820 -14.318 9.263 1.00 1.47 O ATOM 1283 CB ARG A 115 7.709 -14.909 9.200 1.00 1.38 C ATOM 1284 CG ARG A 115 6.348 -14.363 9.670 1.00 1.67 C ATOM 1285 CD ARG A 115 5.398 -15.385 10.295 1.00 1.60 C ATOM 1286 NE ARG A 115 5.982 -16.029 11.483 1.00 2.17 N ATOM 1287 CZ ARG A 115 5.447 -16.239 12.669 1.00 3.17 C ATOM 1288 NH1 ARG A 115 4.265 -15.830 13.030 1.00 3.95 N ATOM 1289 NH2 ARG A 115 6.139 -16.903 13.540 1.00 4.02 N ATOM 0 H ARG A 115 7.168 -13.770 7.021 1.00 1.08 H new ATOM 0 HA ARG A 115 8.645 -12.979 9.295 1.00 1.26 H new ATOM 0 HB2 ARG A 115 7.550 -15.699 8.466 1.00 1.38 H new ATOM 0 HB3 ARG A 115 8.232 -15.359 10.044 1.00 1.38 H new ATOM 0 HG2 ARG A 115 6.528 -13.571 10.397 1.00 1.67 H new ATOM 0 HG3 ARG A 115 5.848 -13.905 8.817 1.00 1.67 H new ATOM 0 HD2 ARG A 115 4.466 -14.892 10.572 1.00 1.60 H new ATOM 0 HD3 ARG A 115 5.148 -16.146 9.556 1.00 1.60 H new ATOM 0 HE ARG A 115 6.940 -16.361 11.372 1.00 2.17 H new ATOM 0 HH11 ARG A 115 3.684 -15.307 12.375 1.00 3.95 H new ATOM 0 HH12 ARG A 115 3.920 -16.032 13.968 1.00 3.95 H new ATOM 0 HH21 ARG A 115 7.069 -17.246 13.298 1.00 4.02 H new ATOM 0 HH22 ARG A 115 5.754 -17.083 14.467 1.00 4.02 H new ATOM 1303 N GLU A 116 10.283 -14.791 7.130 1.00 1.42 N ATOM 1304 CA GLU A 116 11.597 -15.310 6.759 1.00 1.63 C ATOM 1305 C GLU A 116 12.525 -14.308 6.052 1.00 1.63 C ATOM 1306 O GLU A 116 13.535 -13.915 6.634 1.00 2.01 O ATOM 1307 CB GLU A 116 11.380 -16.590 5.941 1.00 1.74 C ATOM 1308 CG GLU A 116 10.728 -17.723 6.755 1.00 2.51 C ATOM 1309 CD GLU A 116 11.699 -18.466 7.679 1.00 3.63 C ATOM 1310 OE1 GLU A 116 12.528 -17.841 8.389 1.00 4.92 O ATOM 1311 OE2 GLU A 116 11.638 -19.719 7.673 1.00 4.04 O ATOM 0 H GLU A 116 9.601 -14.824 6.372 1.00 1.42 H new ATOM 0 HA GLU A 116 12.142 -15.525 7.678 1.00 1.63 H new ATOM 0 HB2 GLU A 116 10.752 -16.362 5.080 1.00 1.74 H new ATOM 0 HB3 GLU A 116 12.339 -16.934 5.554 1.00 1.74 H new ATOM 0 HG2 GLU A 116 9.919 -17.306 7.355 1.00 2.51 H new ATOM 0 HG3 GLU A 116 10.278 -18.439 6.067 1.00 2.51 H new ATOM 1318 N ASN A 117 12.245 -13.924 4.800 1.00 1.37 N ATOM 1319 CA ASN A 117 12.997 -12.857 4.102 1.00 1.66 C ATOM 1320 C ASN A 117 12.155 -12.255 2.971 1.00 1.57 C ATOM 1321 O ASN A 117 11.983 -11.044 2.848 1.00 2.04 O ATOM 1322 CB ASN A 117 14.300 -13.490 3.547 1.00 2.26 C ATOM 1323 CG ASN A 117 15.137 -12.637 2.597 1.00 2.60 C ATOM 1324 OD1 ASN A 117 15.015 -11.425 2.468 1.00 3.11 O ATOM 1325 ND2 ASN A 117 16.022 -13.264 1.863 1.00 3.18 N ATOM 0 H ASN A 117 11.498 -14.336 4.241 1.00 1.37 H new ATOM 0 HA ASN A 117 13.236 -12.046 4.790 1.00 1.66 H new ATOM 0 HB2 ASN A 117 14.928 -13.769 4.393 1.00 2.26 H new ATOM 0 HB3 ASN A 117 14.035 -14.412 3.029 1.00 2.26 H new ATOM 0 HD21 ASN A 117 16.595 -12.743 1.199 1.00 3.18 H new ATOM 0 HD22 ASN A 117 16.139 -14.273 1.956 1.00 3.18 H new ATOM 1332 N SER A 118 11.585 -13.168 2.186 1.00 2.23 N ATOM 1333 CA SER A 118 10.634 -12.962 1.101 1.00 2.95 C ATOM 1334 C SER A 118 10.105 -14.337 0.641 1.00 3.40 C ATOM 1335 O SER A 118 10.301 -15.341 1.340 1.00 4.78 O ATOM 1336 CB SER A 118 11.283 -12.211 -0.061 1.00 4.28 C ATOM 1337 OG SER A 118 10.241 -11.635 -0.819 1.00 5.48 O ATOM 0 H SER A 118 11.798 -14.158 2.306 1.00 2.23 H new ATOM 0 HA SER A 118 9.804 -12.351 1.456 1.00 2.95 H new ATOM 0 HB2 SER A 118 11.961 -11.441 0.309 1.00 4.28 H new ATOM 0 HB3 SER A 118 11.876 -12.889 -0.675 1.00 4.28 H new ATOM 0 HG SER A 118 10.621 -11.142 -1.576 1.00 5.48 H new