USER MOD reduce.3.24.130724 H: found=0, std=0, add=980, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 980 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 58 HIS : no HE2:sc= 1 K(o=2.3,f=-2.3) USER MOD Set 1.2: A 113 SER OG : rot 18:sc= 1.31 USER MOD Set 1.3: A 115 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 40 TYR OH : rot 26:sc= -0.358 USER MOD Set 2.2: A 43 HIS : no HE2:sc= 1.03 K(o=0.68,f=-11!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl -164:sc= -0.0592 (180deg=-0.463) USER MOD Single : A 5 MET CE :methyl 162:sc= -0.275 (180deg=-0.992) USER MOD Single : A 6 SER OG : rot -5:sc= 1.18 USER MOD Single : A 9 THR OG1 : rot -173:sc= 1.17 USER MOD Single : A 15 THR OG1 : rot -78:sc= 1.32 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 HIS : no HD1:sc= -0.0141 X(o=-0.014,f=0) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HE2:sc= 0.144 K(o=0.14,f=-1) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.125 USER MOD Single : A 48 GLN : amide:sc= 0.0724 X(o=0.072,f=-0.02) USER MOD Single : A 55 HIS : no HD1:sc= -0.0763 X(o=-0.076,f=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= -0.0291 X(o=-0.029,f=-0.4) USER MOD Single : A 67 ASN : amide:sc= -0.115 X(o=-0.12,f=-0.45) USER MOD Single : A 71 THR OG1 : rot -38:sc= -2.14! USER MOD Single : A 73 ASN : amide:sc= -0.95 K(o=-0.95,f=-4!) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl 160:sc= -0.122 (180deg=-0.627) USER MOD Single : A 92 TYR OH : rot 30:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 165:sc= -0.0536 (180deg=-0.311) USER MOD Single : A 105 ASN :FLIP amide:sc= 0 F(o=-0.99,f=0) USER MOD Single : A 116 GLN : amide:sc= -0.52 K(o=-0.52,f=-3.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.827 -14.789 10.854 1.00 9.84 N ATOM 2 CA GLY A 1 -16.025 -13.519 10.116 1.00 9.33 C ATOM 3 C GLY A 1 -17.381 -13.454 9.443 1.00 8.55 C ATOM 4 O GLY A 1 -17.494 -13.680 8.238 1.00 8.34 O ATOM 0 H1 GLY A 1 -14.887 -14.789 11.298 1.00 9.84 H new ATOM 0 H2 GLY A 1 -16.557 -14.881 11.589 1.00 9.84 H new ATOM 0 H3 GLY A 1 -15.898 -15.589 10.193 1.00 9.84 H new ATOM 0 HA2 GLY A 1 -15.923 -12.681 10.805 1.00 9.33 H new ATOM 0 HA3 GLY A 1 -15.243 -13.412 9.365 1.00 9.33 H new ATOM 10 N ALA A 2 -18.413 -13.137 10.217 1.00 8.39 N ATOM 11 CA ALA A 2 -19.777 -13.075 9.703 1.00 7.95 C ATOM 12 C ALA A 2 -19.964 -11.868 8.791 1.00 7.24 C ATOM 13 O ALA A 2 -20.800 -11.879 7.893 1.00 7.25 O ATOM 14 CB ALA A 2 -20.770 -13.028 10.855 1.00 8.62 C ATOM 0 H ALA A 2 -18.330 -12.918 11.210 1.00 8.39 H new ATOM 0 HA ALA A 2 -19.961 -13.974 9.114 1.00 7.95 H new ATOM 0 HB1 ALA A 2 -21.785 -12.982 10.459 1.00 8.62 H new ATOM 0 HB2 ALA A 2 -20.660 -13.923 11.467 1.00 8.62 H new ATOM 0 HB3 ALA A 2 -20.578 -12.145 11.465 1.00 8.62 H new ATOM 20 N MET A 3 -19.158 -10.837 9.014 1.00 6.97 N ATOM 21 CA MET A 3 -19.224 -9.618 8.215 1.00 6.66 C ATOM 22 C MET A 3 -18.620 -9.856 6.829 1.00 5.89 C ATOM 23 O MET A 3 -18.717 -9.016 5.933 1.00 5.94 O ATOM 24 CB MET A 3 -18.475 -8.483 8.934 1.00 7.35 C ATOM 25 CG MET A 3 -18.598 -7.127 8.253 1.00 8.09 C ATOM 26 SD MET A 3 -17.624 -5.839 9.060 1.00 8.78 S ATOM 27 CE MET A 3 -18.397 -5.784 10.676 1.00 9.31 C ATOM 0 H MET A 3 -18.447 -10.821 9.745 1.00 6.97 H new ATOM 0 HA MET A 3 -20.269 -9.333 8.092 1.00 6.66 H new ATOM 0 HB2 MET A 3 -18.853 -8.401 9.953 1.00 7.35 H new ATOM 0 HB3 MET A 3 -17.420 -8.747 9.006 1.00 7.35 H new ATOM 0 HG2 MET A 3 -18.279 -7.218 7.215 1.00 8.09 H new ATOM 0 HG3 MET A 3 -19.646 -6.827 8.240 1.00 8.09 H new ATOM 0 HE1 MET A 3 -18.109 -4.865 11.186 1.00 9.31 H new ATOM 0 HE2 MET A 3 -19.481 -5.812 10.562 1.00 9.31 H new ATOM 0 HE3 MET A 3 -18.072 -6.642 11.264 1.00 9.31 H new ATOM 37 N GLY A 4 -18.009 -11.020 6.657 1.00 5.55 N ATOM 38 CA GLY A 4 -17.358 -11.340 5.405 1.00 5.17 C ATOM 39 C GLY A 4 -18.316 -11.901 4.372 1.00 4.35 C ATOM 40 O GLY A 4 -17.915 -12.193 3.248 1.00 4.64 O ATOM 0 H GLY A 4 -17.953 -11.751 7.366 1.00 5.55 H new ATOM 0 HA2 GLY A 4 -16.886 -10.442 5.006 1.00 5.17 H new ATOM 0 HA3 GLY A 4 -16.564 -12.064 5.588 1.00 5.17 H new ATOM 44 N MET A 5 -19.587 -12.040 4.743 1.00 3.80 N ATOM 45 CA MET A 5 -20.581 -12.594 3.827 1.00 3.46 C ATOM 46 C MET A 5 -20.941 -11.593 2.733 1.00 2.69 C ATOM 47 O MET A 5 -21.556 -11.953 1.732 1.00 3.15 O ATOM 48 CB MET A 5 -21.838 -13.068 4.580 1.00 4.10 C ATOM 49 CG MET A 5 -22.570 -11.991 5.377 1.00 4.56 C ATOM 50 SD MET A 5 -23.499 -10.829 4.351 1.00 5.55 S ATOM 51 CE MET A 5 -24.632 -11.928 3.501 1.00 6.19 C ATOM 0 H MET A 5 -19.950 -11.780 5.660 1.00 3.80 H new ATOM 0 HA MET A 5 -20.135 -13.466 3.349 1.00 3.46 H new ATOM 0 HB2 MET A 5 -22.533 -13.497 3.858 1.00 4.10 H new ATOM 0 HB3 MET A 5 -21.552 -13.869 5.262 1.00 4.10 H new ATOM 0 HG2 MET A 5 -23.254 -12.472 6.076 1.00 4.56 H new ATOM 0 HG3 MET A 5 -21.844 -11.436 5.972 1.00 4.56 H new ATOM 0 HE1 MET A 5 -25.460 -11.350 3.091 1.00 6.19 H new ATOM 0 HE2 MET A 5 -24.108 -12.436 2.692 1.00 6.19 H new ATOM 0 HE3 MET A 5 -25.018 -12.667 4.203 1.00 6.19 H new ATOM 61 N SER A 6 -20.549 -10.341 2.928 1.00 2.04 N ATOM 62 CA SER A 6 -20.745 -9.306 1.923 1.00 1.62 C ATOM 63 C SER A 6 -19.420 -9.010 1.221 1.00 1.22 C ATOM 64 O SER A 6 -18.637 -8.193 1.696 1.00 1.33 O ATOM 65 CB SER A 6 -21.281 -8.036 2.583 1.00 2.15 C ATOM 66 OG SER A 6 -22.410 -8.318 3.393 1.00 2.78 O ATOM 0 H SER A 6 -20.090 -10.017 3.779 1.00 2.04 H new ATOM 0 HA SER A 6 -21.469 -9.655 1.186 1.00 1.62 H new ATOM 0 HB2 SER A 6 -20.499 -7.580 3.190 1.00 2.15 H new ATOM 0 HB3 SER A 6 -21.552 -7.311 1.816 1.00 2.15 H new ATOM 0 HG SER A 6 -22.659 -9.260 3.291 1.00 2.78 H new ATOM 72 N PRO A 7 -19.138 -9.680 0.089 1.00 1.00 N ATOM 73 CA PRO A 7 -17.860 -9.558 -0.601 1.00 0.92 C ATOM 74 C PRO A 7 -17.839 -8.451 -1.656 1.00 0.83 C ATOM 75 O PRO A 7 -16.869 -8.320 -2.400 1.00 0.81 O ATOM 76 CB PRO A 7 -17.722 -10.924 -1.264 1.00 1.15 C ATOM 77 CG PRO A 7 -19.123 -11.332 -1.590 1.00 1.35 C ATOM 78 CD PRO A 7 -20.032 -10.626 -0.606 1.00 1.22 C ATOM 0 HA PRO A 7 -17.052 -9.290 0.080 1.00 0.92 H new ATOM 0 HB2 PRO A 7 -17.107 -10.868 -2.162 1.00 1.15 H new ATOM 0 HB3 PRO A 7 -17.246 -11.642 -0.596 1.00 1.15 H new ATOM 0 HG2 PRO A 7 -19.376 -11.057 -2.614 1.00 1.35 H new ATOM 0 HG3 PRO A 7 -19.237 -12.413 -1.513 1.00 1.35 H new ATOM 0 HD2 PRO A 7 -20.845 -10.107 -1.114 1.00 1.22 H new ATOM 0 HD3 PRO A 7 -20.489 -11.329 0.091 1.00 1.22 H new ATOM 86 N ASP A 8 -18.897 -7.654 -1.713 1.00 0.81 N ATOM 87 CA ASP A 8 -19.002 -6.599 -2.721 1.00 0.80 C ATOM 88 C ASP A 8 -17.992 -5.492 -2.454 1.00 0.67 C ATOM 89 O ASP A 8 -17.321 -5.018 -3.372 1.00 0.67 O ATOM 90 CB ASP A 8 -20.418 -6.013 -2.770 1.00 0.91 C ATOM 91 CG ASP A 8 -21.446 -7.006 -3.271 1.00 1.50 C ATOM 92 OD1 ASP A 8 -21.604 -7.139 -4.501 1.00 2.18 O ATOM 93 OD2 ASP A 8 -22.108 -7.656 -2.437 1.00 2.05 O ATOM 0 H ASP A 8 -19.693 -7.714 -1.078 1.00 0.81 H new ATOM 0 HA ASP A 8 -18.783 -7.050 -3.689 1.00 0.80 H new ATOM 0 HB2 ASP A 8 -20.701 -5.675 -1.773 1.00 0.91 H new ATOM 0 HB3 ASP A 8 -20.421 -5.136 -3.417 1.00 0.91 H new ATOM 98 N THR A 9 -17.872 -5.099 -1.192 1.00 0.62 N ATOM 99 CA THR A 9 -16.933 -4.064 -0.791 1.00 0.58 C ATOM 100 C THR A 9 -15.496 -4.480 -1.107 1.00 0.49 C ATOM 101 O THR A 9 -14.736 -3.730 -1.727 1.00 0.46 O ATOM 102 CB THR A 9 -17.059 -3.778 0.716 1.00 0.64 C ATOM 103 OG1 THR A 9 -18.422 -3.471 1.039 1.00 0.74 O ATOM 104 CG2 THR A 9 -16.159 -2.627 1.130 1.00 0.72 C ATOM 0 H THR A 9 -18.420 -5.487 -0.424 1.00 0.62 H new ATOM 0 HA THR A 9 -17.173 -3.161 -1.353 1.00 0.58 H new ATOM 0 HB THR A 9 -16.746 -4.669 1.261 1.00 0.64 H new ATOM 0 HG1 THR A 9 -18.480 -3.188 1.975 1.00 0.74 H new ATOM 0 HG21 THR A 9 -16.268 -2.446 2.199 1.00 0.72 H new ATOM 0 HG22 THR A 9 -15.122 -2.878 0.908 1.00 0.72 H new ATOM 0 HG23 THR A 9 -16.440 -1.729 0.580 1.00 0.72 H new ATOM 112 N ALA A 10 -15.146 -5.692 -0.696 1.00 0.51 N ATOM 113 CA ALA A 10 -13.803 -6.216 -0.900 1.00 0.50 C ATOM 114 C ALA A 10 -13.496 -6.376 -2.382 1.00 0.48 C ATOM 115 O ALA A 10 -12.379 -6.118 -2.824 1.00 0.45 O ATOM 116 CB ALA A 10 -13.637 -7.541 -0.179 1.00 0.60 C ATOM 0 H ALA A 10 -15.778 -6.333 -0.217 1.00 0.51 H new ATOM 0 HA ALA A 10 -13.095 -5.499 -0.484 1.00 0.50 H new ATOM 0 HB1 ALA A 10 -12.628 -7.920 -0.341 1.00 0.60 H new ATOM 0 HB2 ALA A 10 -13.803 -7.398 0.889 1.00 0.60 H new ATOM 0 HB3 ALA A 10 -14.360 -8.259 -0.566 1.00 0.60 H new ATOM 122 N ARG A 11 -14.502 -6.792 -3.144 1.00 0.54 N ATOM 123 CA ARG A 11 -14.346 -6.998 -4.579 1.00 0.59 C ATOM 124 C ARG A 11 -14.015 -5.684 -5.278 1.00 0.52 C ATOM 125 O ARG A 11 -13.146 -5.633 -6.149 1.00 0.52 O ATOM 126 CB ARG A 11 -15.625 -7.590 -5.173 1.00 0.74 C ATOM 127 CG ARG A 11 -15.552 -7.843 -6.673 1.00 1.02 C ATOM 128 CD ARG A 11 -16.917 -8.202 -7.235 1.00 1.21 C ATOM 129 NE ARG A 11 -17.874 -7.112 -7.051 1.00 1.97 N ATOM 130 CZ ARG A 11 -19.058 -7.241 -6.453 1.00 2.53 C ATOM 131 NH1 ARG A 11 -19.482 -8.428 -6.036 1.00 2.44 N ATOM 132 NH2 ARG A 11 -19.831 -6.180 -6.276 1.00 3.56 N ATOM 0 H ARG A 11 -15.437 -6.994 -2.790 1.00 0.54 H new ATOM 0 HA ARG A 11 -13.523 -7.696 -4.735 1.00 0.59 H new ATOM 0 HB2 ARG A 11 -15.847 -8.529 -4.667 1.00 0.74 H new ATOM 0 HB3 ARG A 11 -16.455 -6.914 -4.969 1.00 0.74 H new ATOM 0 HG2 ARG A 11 -15.170 -6.955 -7.176 1.00 1.02 H new ATOM 0 HG3 ARG A 11 -14.848 -8.651 -6.875 1.00 1.02 H new ATOM 0 HD2 ARG A 11 -16.826 -8.433 -8.296 1.00 1.21 H new ATOM 0 HD3 ARG A 11 -17.289 -9.101 -6.744 1.00 1.21 H new ATOM 0 HE ARG A 11 -17.618 -6.190 -7.404 1.00 1.97 H new ATOM 0 HH11 ARG A 11 -18.900 -9.254 -6.172 1.00 2.44 H new ATOM 0 HH12 ARG A 11 -20.390 -8.514 -5.580 1.00 2.44 H new ATOM 0 HH21 ARG A 11 -19.520 -5.263 -6.598 1.00 3.56 H new ATOM 0 HH22 ARG A 11 -20.737 -6.280 -5.818 1.00 3.56 H new ATOM 146 N ARG A 12 -14.710 -4.621 -4.887 1.00 0.51 N ATOM 147 CA ARG A 12 -14.501 -3.316 -5.491 1.00 0.51 C ATOM 148 C ARG A 12 -13.113 -2.780 -5.158 1.00 0.42 C ATOM 149 O ARG A 12 -12.460 -2.173 -6.001 1.00 0.41 O ATOM 150 CB ARG A 12 -15.571 -2.321 -5.038 1.00 0.57 C ATOM 151 CG ARG A 12 -15.414 -0.946 -5.672 1.00 1.31 C ATOM 152 CD ARG A 12 -16.467 0.036 -5.185 1.00 1.38 C ATOM 153 NE ARG A 12 -16.198 1.393 -5.658 1.00 2.05 N ATOM 154 CZ ARG A 12 -17.070 2.395 -5.612 1.00 2.50 C ATOM 155 NH1 ARG A 12 -18.301 2.198 -5.159 1.00 2.39 N ATOM 156 NH2 ARG A 12 -16.707 3.594 -6.042 1.00 3.49 N ATOM 0 H ARG A 12 -15.421 -4.640 -4.156 1.00 0.51 H new ATOM 0 HA ARG A 12 -14.579 -3.437 -6.571 1.00 0.51 H new ATOM 0 HB2 ARG A 12 -16.556 -2.718 -5.285 1.00 0.57 H new ATOM 0 HB3 ARG A 12 -15.530 -2.221 -3.953 1.00 0.57 H new ATOM 0 HG2 ARG A 12 -14.422 -0.555 -5.445 1.00 1.31 H new ATOM 0 HG3 ARG A 12 -15.480 -1.038 -6.756 1.00 1.31 H new ATOM 0 HD2 ARG A 12 -17.450 -0.282 -5.532 1.00 1.38 H new ATOM 0 HD3 ARG A 12 -16.496 0.029 -4.095 1.00 1.38 H new ATOM 0 HE ARG A 12 -15.276 1.584 -6.051 1.00 2.05 H new ATOM 0 HH11 ARG A 12 -18.586 1.271 -4.842 1.00 2.39 H new ATOM 0 HH12 ARG A 12 -18.963 2.973 -5.128 1.00 2.39 H new ATOM 0 HH21 ARG A 12 -15.765 3.742 -6.405 1.00 3.49 H new ATOM 0 HH22 ARG A 12 -17.369 4.369 -6.011 1.00 3.49 H new ATOM 170 N PHE A 13 -12.656 -3.010 -3.934 1.00 0.40 N ATOM 171 CA PHE A 13 -11.331 -2.557 -3.536 1.00 0.37 C ATOM 172 C PHE A 13 -10.272 -3.289 -4.353 1.00 0.33 C ATOM 173 O PHE A 13 -9.335 -2.676 -4.865 1.00 0.33 O ATOM 174 CB PHE A 13 -11.098 -2.780 -2.034 1.00 0.41 C ATOM 175 CG PHE A 13 -9.863 -2.099 -1.506 1.00 0.41 C ATOM 176 CD1 PHE A 13 -9.899 -0.766 -1.122 1.00 0.43 C ATOM 177 CD2 PHE A 13 -8.667 -2.788 -1.395 1.00 0.46 C ATOM 178 CE1 PHE A 13 -8.766 -0.137 -0.641 1.00 0.48 C ATOM 179 CE2 PHE A 13 -7.531 -2.166 -0.914 1.00 0.51 C ATOM 180 CZ PHE A 13 -7.580 -0.838 -0.537 1.00 0.50 C ATOM 0 H PHE A 13 -13.177 -3.502 -3.208 1.00 0.40 H new ATOM 0 HA PHE A 13 -11.258 -1.487 -3.729 1.00 0.37 H new ATOM 0 HB2 PHE A 13 -11.966 -2.418 -1.483 1.00 0.41 H new ATOM 0 HB3 PHE A 13 -11.022 -3.850 -1.842 1.00 0.41 H new ATOM 0 HD1 PHE A 13 -10.824 -0.213 -1.200 1.00 0.43 H new ATOM 0 HD2 PHE A 13 -8.622 -3.826 -1.689 1.00 0.46 H new ATOM 0 HE1 PHE A 13 -8.808 0.901 -0.347 1.00 0.48 H new ATOM 0 HE2 PHE A 13 -6.606 -2.717 -0.833 1.00 0.51 H new ATOM 0 HZ PHE A 13 -6.693 -0.349 -0.162 1.00 0.50 H new ATOM 190 N ASP A 14 -10.458 -4.596 -4.488 1.00 0.35 N ATOM 191 CA ASP A 14 -9.560 -5.455 -5.258 1.00 0.37 C ATOM 192 C ASP A 14 -9.415 -4.988 -6.705 1.00 0.34 C ATOM 193 O ASP A 14 -8.321 -5.018 -7.267 1.00 0.37 O ATOM 194 CB ASP A 14 -10.087 -6.897 -5.222 1.00 0.47 C ATOM 195 CG ASP A 14 -9.433 -7.812 -6.242 1.00 0.58 C ATOM 196 OD1 ASP A 14 -8.360 -8.374 -5.946 1.00 0.87 O ATOM 197 OD2 ASP A 14 -10.013 -8.004 -7.333 1.00 0.65 O ATOM 0 H ASP A 14 -11.240 -5.095 -4.065 1.00 0.35 H new ATOM 0 HA ASP A 14 -8.571 -5.403 -4.803 1.00 0.37 H new ATOM 0 HB2 ASP A 14 -9.929 -7.307 -4.225 1.00 0.47 H new ATOM 0 HB3 ASP A 14 -11.163 -6.885 -5.395 1.00 0.47 H new ATOM 202 N THR A 15 -10.511 -4.546 -7.303 1.00 0.33 N ATOM 203 CA THR A 15 -10.518 -4.223 -8.722 1.00 0.34 C ATOM 204 C THR A 15 -10.352 -2.727 -9.003 1.00 0.33 C ATOM 205 O THR A 15 -9.633 -2.340 -9.926 1.00 0.37 O ATOM 206 CB THR A 15 -11.815 -4.727 -9.375 1.00 0.39 C ATOM 207 OG1 THR A 15 -12.932 -4.447 -8.520 1.00 1.51 O ATOM 208 CG2 THR A 15 -11.741 -6.221 -9.645 1.00 1.34 C ATOM 0 H THR A 15 -11.404 -4.403 -6.830 1.00 0.33 H new ATOM 0 HA THR A 15 -9.655 -4.728 -9.155 1.00 0.34 H new ATOM 0 HB THR A 15 -11.943 -4.209 -10.325 1.00 0.39 H new ATOM 0 HG1 THR A 15 -12.965 -5.109 -7.798 1.00 1.51 H new ATOM 0 HG21 THR A 15 -12.670 -6.554 -10.107 1.00 1.34 H new ATOM 0 HG22 THR A 15 -10.907 -6.429 -10.316 1.00 1.34 H new ATOM 0 HG23 THR A 15 -11.592 -6.754 -8.706 1.00 1.34 H new ATOM 216 N GLU A 16 -11.000 -1.887 -8.214 1.00 0.33 N ATOM 217 CA GLU A 16 -11.040 -0.461 -8.507 1.00 0.39 C ATOM 218 C GLU A 16 -9.949 0.320 -7.775 1.00 0.37 C ATOM 219 O GLU A 16 -9.274 1.152 -8.378 1.00 0.46 O ATOM 220 CB GLU A 16 -12.419 0.106 -8.149 1.00 0.48 C ATOM 221 CG GLU A 16 -12.581 1.579 -8.485 1.00 0.60 C ATOM 222 CD GLU A 16 -13.963 2.103 -8.156 1.00 1.15 C ATOM 223 OE1 GLU A 16 -14.857 2.020 -9.021 1.00 1.27 O ATOM 224 OE2 GLU A 16 -14.164 2.591 -7.026 1.00 1.81 O ATOM 0 H GLU A 16 -11.503 -2.163 -7.371 1.00 0.33 H new ATOM 0 HA GLU A 16 -10.855 -0.346 -9.575 1.00 0.39 H new ATOM 0 HB2 GLU A 16 -13.184 -0.464 -8.676 1.00 0.48 H new ATOM 0 HB3 GLU A 16 -12.594 -0.036 -7.083 1.00 0.48 H new ATOM 0 HG2 GLU A 16 -11.837 2.157 -7.936 1.00 0.60 H new ATOM 0 HG3 GLU A 16 -12.382 1.730 -9.546 1.00 0.60 H new ATOM 231 N PHE A 17 -9.751 0.040 -6.495 1.00 0.31 N ATOM 232 CA PHE A 17 -8.881 0.881 -5.672 1.00 0.32 C ATOM 233 C PHE A 17 -7.449 0.354 -5.605 1.00 0.30 C ATOM 234 O PHE A 17 -6.500 1.109 -5.816 1.00 0.33 O ATOM 235 CB PHE A 17 -9.451 1.035 -4.258 1.00 0.37 C ATOM 236 CG PHE A 17 -10.707 1.866 -4.192 1.00 0.42 C ATOM 237 CD1 PHE A 17 -10.643 3.251 -4.116 1.00 0.64 C ATOM 238 CD2 PHE A 17 -11.955 1.260 -4.212 1.00 0.43 C ATOM 239 CE1 PHE A 17 -11.795 4.011 -4.062 1.00 0.72 C ATOM 240 CE2 PHE A 17 -13.110 2.018 -4.156 1.00 0.48 C ATOM 241 CZ PHE A 17 -13.020 3.407 -4.060 1.00 0.57 C ATOM 0 H PHE A 17 -10.172 -0.750 -6.006 1.00 0.31 H new ATOM 0 HA PHE A 17 -8.846 1.858 -6.154 1.00 0.32 H new ATOM 0 HB2 PHE A 17 -9.660 0.045 -3.852 1.00 0.37 H new ATOM 0 HB3 PHE A 17 -8.693 1.488 -3.619 1.00 0.37 H new ATOM 0 HD1 PHE A 17 -9.680 3.740 -4.099 1.00 0.64 H new ATOM 0 HD2 PHE A 17 -12.025 0.184 -4.272 1.00 0.43 H new ATOM 0 HE1 PHE A 17 -11.727 5.088 -4.021 1.00 0.72 H new ATOM 0 HE2 PHE A 17 -14.077 1.537 -4.186 1.00 0.48 H new ATOM 0 HZ PHE A 17 -13.917 4.003 -3.984 1.00 0.57 H new ATOM 251 N ALA A 18 -7.293 -0.933 -5.320 1.00 0.29 N ATOM 252 CA ALA A 18 -5.967 -1.519 -5.130 1.00 0.30 C ATOM 253 C ALA A 18 -5.038 -1.302 -6.338 1.00 0.29 C ATOM 254 O ALA A 18 -3.900 -0.870 -6.154 1.00 0.30 O ATOM 255 CB ALA A 18 -6.075 -2.996 -4.777 1.00 0.32 C ATOM 0 H ALA A 18 -8.065 -1.592 -5.215 1.00 0.29 H new ATOM 0 HA ALA A 18 -5.508 -0.994 -4.293 1.00 0.30 H new ATOM 0 HB1 ALA A 18 -5.077 -3.411 -4.640 1.00 0.32 H new ATOM 0 HB2 ALA A 18 -6.645 -3.109 -3.854 1.00 0.32 H new ATOM 0 HB3 ALA A 18 -6.581 -3.527 -5.583 1.00 0.32 H new ATOM 261 N PRO A 19 -5.485 -1.579 -7.589 1.00 0.30 N ATOM 262 CA PRO A 19 -4.654 -1.348 -8.782 1.00 0.32 C ATOM 263 C PRO A 19 -4.279 0.125 -8.960 1.00 0.31 C ATOM 264 O PRO A 19 -3.263 0.447 -9.579 1.00 0.32 O ATOM 265 CB PRO A 19 -5.540 -1.820 -9.941 1.00 0.37 C ATOM 266 CG PRO A 19 -6.511 -2.747 -9.311 1.00 0.35 C ATOM 267 CD PRO A 19 -6.789 -2.165 -7.957 1.00 0.31 C ATOM 0 HA PRO A 19 -3.703 -1.876 -8.716 1.00 0.32 H new ATOM 0 HB2 PRO A 19 -6.045 -0.982 -10.421 1.00 0.37 H new ATOM 0 HB3 PRO A 19 -4.953 -2.322 -10.710 1.00 0.37 H new ATOM 0 HG2 PRO A 19 -7.424 -2.822 -9.902 1.00 0.35 H new ATOM 0 HG3 PRO A 19 -6.099 -3.753 -9.230 1.00 0.35 H new ATOM 0 HD2 PRO A 19 -7.577 -1.413 -7.992 1.00 0.31 H new ATOM 0 HD3 PRO A 19 -7.107 -2.927 -7.245 1.00 0.31 H new ATOM 275 N ARG A 20 -5.098 1.017 -8.408 1.00 0.32 N ATOM 276 CA ARG A 20 -4.819 2.449 -8.466 1.00 0.35 C ATOM 277 C ARG A 20 -3.668 2.788 -7.533 1.00 0.30 C ATOM 278 O ARG A 20 -2.794 3.587 -7.869 1.00 0.31 O ATOM 279 CB ARG A 20 -6.050 3.276 -8.081 1.00 0.43 C ATOM 280 CG ARG A 20 -7.169 3.276 -9.114 1.00 1.07 C ATOM 281 CD ARG A 20 -6.787 4.037 -10.376 1.00 1.40 C ATOM 282 NE ARG A 20 -5.870 3.282 -11.230 1.00 1.95 N ATOM 283 CZ ARG A 20 -5.031 3.842 -12.101 1.00 2.73 C ATOM 284 NH1 ARG A 20 -4.966 5.165 -12.212 1.00 3.15 N ATOM 285 NH2 ARG A 20 -4.258 3.074 -12.861 1.00 3.58 N ATOM 0 H ARG A 20 -5.958 0.774 -7.917 1.00 0.32 H new ATOM 0 HA ARG A 20 -4.550 2.696 -9.493 1.00 0.35 H new ATOM 0 HB2 ARG A 20 -6.445 2.896 -7.139 1.00 0.43 H new ATOM 0 HB3 ARG A 20 -5.738 4.305 -7.904 1.00 0.43 H new ATOM 0 HG2 ARG A 20 -7.421 2.248 -9.374 1.00 1.07 H new ATOM 0 HG3 ARG A 20 -8.063 3.723 -8.679 1.00 1.07 H new ATOM 0 HD2 ARG A 20 -7.689 4.276 -10.939 1.00 1.40 H new ATOM 0 HD3 ARG A 20 -6.324 4.984 -10.099 1.00 1.40 H new ATOM 0 HE ARG A 20 -5.873 2.265 -11.154 1.00 1.95 H new ATOM 0 HH11 ARG A 20 -5.560 5.755 -11.629 1.00 3.15 H new ATOM 0 HH12 ARG A 20 -4.323 5.590 -12.880 1.00 3.15 H new ATOM 0 HH21 ARG A 20 -4.308 2.059 -12.777 1.00 3.58 H new ATOM 0 HH22 ARG A 20 -3.615 3.500 -13.529 1.00 3.58 H new ATOM 299 N ILE A 21 -3.670 2.158 -6.363 1.00 0.28 N ATOM 300 CA ILE A 21 -2.631 2.377 -5.368 1.00 0.28 C ATOM 301 C ILE A 21 -1.294 1.869 -5.890 1.00 0.24 C ATOM 302 O ILE A 21 -0.272 2.541 -5.773 1.00 0.25 O ATOM 303 CB ILE A 21 -2.961 1.668 -4.034 1.00 0.31 C ATOM 304 CG1 ILE A 21 -4.351 2.082 -3.537 1.00 0.35 C ATOM 305 CG2 ILE A 21 -1.905 1.993 -2.983 1.00 0.33 C ATOM 306 CD1 ILE A 21 -4.821 1.321 -2.311 1.00 0.38 C ATOM 0 H ILE A 21 -4.385 1.488 -6.081 1.00 0.28 H new ATOM 0 HA ILE A 21 -2.575 3.449 -5.181 1.00 0.28 H new ATOM 0 HB ILE A 21 -2.960 0.592 -4.206 1.00 0.31 H new ATOM 0 HG12 ILE A 21 -4.341 3.148 -3.309 1.00 0.35 H new ATOM 0 HG13 ILE A 21 -5.072 1.935 -4.341 1.00 0.35 H new ATOM 0 HG21 ILE A 21 -2.152 1.486 -2.050 1.00 0.33 H new ATOM 0 HG22 ILE A 21 -0.929 1.656 -3.332 1.00 0.33 H new ATOM 0 HG23 ILE A 21 -1.878 3.070 -2.815 1.00 0.33 H new ATOM 0 HD11 ILE A 21 -5.812 1.672 -2.022 1.00 0.38 H new ATOM 0 HD12 ILE A 21 -4.866 0.256 -2.539 1.00 0.38 H new ATOM 0 HD13 ILE A 21 -4.124 1.488 -1.490 1.00 0.38 H new ATOM 318 N ALA A 22 -1.317 0.682 -6.486 1.00 0.23 N ATOM 319 CA ALA A 22 -0.115 0.080 -7.045 1.00 0.23 C ATOM 320 C ALA A 22 0.455 0.937 -8.168 1.00 0.24 C ATOM 321 O ALA A 22 1.671 1.033 -8.332 1.00 0.28 O ATOM 322 CB ALA A 22 -0.416 -1.323 -7.551 1.00 0.25 C ATOM 0 H ALA A 22 -2.159 0.117 -6.594 1.00 0.23 H new ATOM 0 HA ALA A 22 0.633 0.018 -6.255 1.00 0.23 H new ATOM 0 HB1 ALA A 22 0.491 -1.762 -7.967 1.00 0.25 H new ATOM 0 HB2 ALA A 22 -0.772 -1.939 -6.725 1.00 0.25 H new ATOM 0 HB3 ALA A 22 -1.183 -1.274 -8.324 1.00 0.25 H new ATOM 328 N ARG A 23 -0.434 1.554 -8.936 1.00 0.27 N ATOM 329 CA ARG A 23 -0.034 2.442 -10.019 1.00 0.34 C ATOM 330 C ARG A 23 0.668 3.680 -9.473 1.00 0.30 C ATOM 331 O ARG A 23 1.747 4.048 -9.937 1.00 0.31 O ATOM 332 CB ARG A 23 -1.263 2.859 -10.833 1.00 0.47 C ATOM 333 CG ARG A 23 -0.970 3.870 -11.934 1.00 1.16 C ATOM 334 CD ARG A 23 -0.038 3.302 -12.993 1.00 1.33 C ATOM 335 NE ARG A 23 -0.618 2.153 -13.688 1.00 1.85 N ATOM 336 CZ ARG A 23 -0.057 1.567 -14.745 1.00 2.38 C ATOM 337 NH1 ARG A 23 1.102 2.012 -15.217 1.00 2.41 N ATOM 338 NH2 ARG A 23 -0.654 0.537 -15.329 1.00 3.36 N ATOM 0 H ARG A 23 -1.443 1.454 -8.827 1.00 0.27 H new ATOM 0 HA ARG A 23 0.662 1.906 -10.664 1.00 0.34 H new ATOM 0 HB2 ARG A 23 -1.707 1.970 -11.281 1.00 0.47 H new ATOM 0 HB3 ARG A 23 -2.007 3.281 -10.157 1.00 0.47 H new ATOM 0 HG2 ARG A 23 -1.905 4.179 -12.401 1.00 1.16 H new ATOM 0 HG3 ARG A 23 -0.522 4.763 -11.497 1.00 1.16 H new ATOM 0 HD2 ARG A 23 0.200 4.080 -13.719 1.00 1.33 H new ATOM 0 HD3 ARG A 23 0.901 3.004 -12.525 1.00 1.33 H new ATOM 0 HE ARG A 23 -1.502 1.779 -13.344 1.00 1.85 H new ATOM 0 HH11 ARG A 23 1.564 2.804 -14.770 1.00 2.41 H new ATOM 0 HH12 ARG A 23 1.530 1.562 -16.026 1.00 2.41 H new ATOM 0 HH21 ARG A 23 -1.544 0.192 -14.969 1.00 3.36 H new ATOM 0 HH22 ARG A 23 -0.223 0.090 -16.138 1.00 3.36 H new ATOM 352 N ALA A 24 0.053 4.307 -8.479 1.00 0.29 N ATOM 353 CA ALA A 24 0.572 5.540 -7.904 1.00 0.31 C ATOM 354 C ALA A 24 1.939 5.324 -7.270 1.00 0.29 C ATOM 355 O ALA A 24 2.848 6.136 -7.442 1.00 0.31 O ATOM 356 CB ALA A 24 -0.405 6.088 -6.878 1.00 0.35 C ATOM 0 H ALA A 24 -0.813 3.978 -8.052 1.00 0.29 H new ATOM 0 HA ALA A 24 0.689 6.265 -8.709 1.00 0.31 H new ATOM 0 HB1 ALA A 24 -0.008 7.010 -6.454 1.00 0.35 H new ATOM 0 HB2 ALA A 24 -1.361 6.292 -7.359 1.00 0.35 H new ATOM 0 HB3 ALA A 24 -0.548 5.355 -6.084 1.00 0.35 H new ATOM 362 N ILE A 25 2.076 4.225 -6.539 1.00 0.27 N ATOM 363 CA ILE A 25 3.326 3.895 -5.868 1.00 0.30 C ATOM 364 C ILE A 25 4.431 3.589 -6.876 1.00 0.30 C ATOM 365 O ILE A 25 5.536 4.122 -6.778 1.00 0.33 O ATOM 366 CB ILE A 25 3.153 2.693 -4.913 1.00 0.33 C ATOM 367 CG1 ILE A 25 2.118 3.014 -3.830 1.00 0.36 C ATOM 368 CG2 ILE A 25 4.487 2.322 -4.281 1.00 0.39 C ATOM 369 CD1 ILE A 25 1.851 1.862 -2.885 1.00 1.05 C ATOM 0 H ILE A 25 1.331 3.543 -6.395 1.00 0.27 H new ATOM 0 HA ILE A 25 3.612 4.769 -5.283 1.00 0.30 H new ATOM 0 HB ILE A 25 2.795 1.841 -5.490 1.00 0.33 H new ATOM 0 HG12 ILE A 25 2.462 3.873 -3.254 1.00 0.36 H new ATOM 0 HG13 ILE A 25 1.183 3.305 -4.308 1.00 0.36 H new ATOM 0 HG21 ILE A 25 4.349 1.474 -3.611 1.00 0.39 H new ATOM 0 HG22 ILE A 25 5.198 2.055 -5.063 1.00 0.39 H new ATOM 0 HG23 ILE A 25 4.871 3.172 -3.716 1.00 0.39 H new ATOM 0 HD11 ILE A 25 1.108 2.162 -2.146 1.00 1.05 H new ATOM 0 HD12 ILE A 25 1.476 1.008 -3.449 1.00 1.05 H new ATOM 0 HD13 ILE A 25 2.776 1.585 -2.379 1.00 1.05 H new ATOM 381 N ALA A 26 4.122 2.743 -7.854 1.00 0.31 N ATOM 382 CA ALA A 26 5.094 2.353 -8.871 1.00 0.36 C ATOM 383 C ALA A 26 5.591 3.568 -9.643 1.00 0.38 C ATOM 384 O ALA A 26 6.761 3.651 -10.019 1.00 0.40 O ATOM 385 CB ALA A 26 4.486 1.334 -9.824 1.00 0.42 C ATOM 0 H ALA A 26 3.204 2.313 -7.964 1.00 0.31 H new ATOM 0 HA ALA A 26 5.946 1.897 -8.368 1.00 0.36 H new ATOM 0 HB1 ALA A 26 5.224 1.054 -10.576 1.00 0.42 H new ATOM 0 HB2 ALA A 26 4.183 0.449 -9.265 1.00 0.42 H new ATOM 0 HB3 ALA A 26 3.615 1.769 -10.314 1.00 0.42 H new ATOM 391 N ASP A 27 4.688 4.510 -9.861 1.00 0.40 N ATOM 392 CA ASP A 27 5.005 5.757 -10.545 1.00 0.47 C ATOM 393 C ASP A 27 5.876 6.651 -9.667 1.00 0.45 C ATOM 394 O ASP A 27 6.822 7.282 -10.144 1.00 0.48 O ATOM 395 CB ASP A 27 3.708 6.485 -10.914 1.00 0.56 C ATOM 396 CG ASP A 27 3.946 7.868 -11.486 1.00 0.72 C ATOM 397 OD1 ASP A 27 4.170 7.977 -12.712 1.00 0.86 O ATOM 398 OD2 ASP A 27 3.923 8.850 -10.712 1.00 0.80 O ATOM 0 H ASP A 27 3.714 4.433 -9.569 1.00 0.40 H new ATOM 0 HA ASP A 27 5.562 5.525 -11.453 1.00 0.47 H new ATOM 0 HB2 ASP A 27 3.157 5.888 -11.640 1.00 0.56 H new ATOM 0 HB3 ASP A 27 3.080 6.568 -10.027 1.00 0.56 H new ATOM 403 N LEU A 28 5.564 6.674 -8.377 1.00 0.42 N ATOM 404 CA LEU A 28 6.267 7.517 -7.418 1.00 0.46 C ATOM 405 C LEU A 28 7.695 7.023 -7.206 1.00 0.44 C ATOM 406 O LEU A 28 8.615 7.814 -6.997 1.00 0.49 O ATOM 407 CB LEU A 28 5.513 7.530 -6.082 1.00 0.49 C ATOM 408 CG LEU A 28 6.154 8.355 -4.961 1.00 0.90 C ATOM 409 CD1 LEU A 28 6.195 9.831 -5.331 1.00 1.69 C ATOM 410 CD2 LEU A 28 5.397 8.151 -3.656 1.00 1.44 C ATOM 0 H LEU A 28 4.819 6.111 -7.967 1.00 0.42 H new ATOM 0 HA LEU A 28 6.310 8.530 -7.817 1.00 0.46 H new ATOM 0 HB2 LEU A 28 4.507 7.911 -6.258 1.00 0.49 H new ATOM 0 HB3 LEU A 28 5.408 6.502 -5.736 1.00 0.49 H new ATOM 0 HG LEU A 28 7.180 8.012 -4.825 1.00 0.90 H new ATOM 0 HD11 LEU A 28 6.654 10.397 -4.520 1.00 1.69 H new ATOM 0 HD12 LEU A 28 6.780 9.962 -6.241 1.00 1.69 H new ATOM 0 HD13 LEU A 28 5.180 10.193 -5.497 1.00 1.69 H new ATOM 0 HD21 LEU A 28 5.863 8.743 -2.868 1.00 1.44 H new ATOM 0 HD22 LEU A 28 4.362 8.467 -3.783 1.00 1.44 H new ATOM 0 HD23 LEU A 28 5.423 7.097 -3.381 1.00 1.44 H new ATOM 422 N LEU A 29 7.874 5.711 -7.262 1.00 0.40 N ATOM 423 CA LEU A 29 9.189 5.113 -7.074 1.00 0.41 C ATOM 424 C LEU A 29 9.893 4.931 -8.414 1.00 0.44 C ATOM 425 O LEU A 29 10.992 4.386 -8.479 1.00 0.48 O ATOM 426 CB LEU A 29 9.056 3.761 -6.365 1.00 0.38 C ATOM 427 CG LEU A 29 8.305 3.792 -5.033 1.00 0.39 C ATOM 428 CD1 LEU A 29 8.198 2.391 -4.453 1.00 0.41 C ATOM 429 CD2 LEU A 29 8.986 4.726 -4.045 1.00 0.49 C ATOM 0 H LEU A 29 7.126 5.040 -7.436 1.00 0.40 H new ATOM 0 HA LEU A 29 9.787 5.783 -6.456 1.00 0.41 H new ATOM 0 HB2 LEU A 29 8.547 3.067 -7.034 1.00 0.38 H new ATOM 0 HB3 LEU A 29 10.055 3.361 -6.191 1.00 0.38 H new ATOM 0 HG LEU A 29 7.300 4.171 -5.219 1.00 0.39 H new ATOM 0 HD11 LEU A 29 7.661 2.430 -3.505 1.00 0.41 H new ATOM 0 HD12 LEU A 29 7.659 1.749 -5.150 1.00 0.41 H new ATOM 0 HD13 LEU A 29 9.197 1.988 -4.288 1.00 0.41 H new ATOM 0 HD21 LEU A 29 8.432 4.730 -3.106 1.00 0.49 H new ATOM 0 HD22 LEU A 29 10.005 4.384 -3.864 1.00 0.49 H new ATOM 0 HD23 LEU A 29 9.010 5.735 -4.456 1.00 0.49 H new ATOM 441 N ASN A 30 9.228 5.385 -9.479 1.00 0.45 N ATOM 442 CA ASN A 30 9.757 5.314 -10.843 1.00 0.51 C ATOM 443 C ASN A 30 10.164 3.891 -11.213 1.00 0.49 C ATOM 444 O ASN A 30 11.134 3.679 -11.939 1.00 0.55 O ATOM 445 CB ASN A 30 10.940 6.277 -11.023 1.00 0.60 C ATOM 446 CG ASN A 30 10.537 7.732 -10.858 1.00 0.79 C ATOM 447 OD1 ASN A 30 10.536 8.267 -9.752 1.00 1.36 O ATOM 448 ND2 ASN A 30 10.206 8.389 -11.958 1.00 1.44 N ATOM 0 H ASN A 30 8.304 5.814 -9.419 1.00 0.45 H new ATOM 0 HA ASN A 30 8.958 5.618 -11.519 1.00 0.51 H new ATOM 0 HB2 ASN A 30 11.716 6.034 -10.297 1.00 0.60 H new ATOM 0 HB3 ASN A 30 11.374 6.134 -12.013 1.00 0.60 H new ATOM 0 HD21 ASN A 30 9.939 9.372 -11.904 1.00 1.44 H new ATOM 0 HD22 ASN A 30 10.218 7.912 -12.860 1.00 1.44 H new ATOM 455 N HIS A 31 9.403 2.926 -10.699 1.00 0.46 N ATOM 456 CA HIS A 31 9.620 1.502 -10.976 1.00 0.50 C ATOM 457 C HIS A 31 10.999 1.017 -10.532 1.00 0.55 C ATOM 458 O HIS A 31 11.554 0.094 -11.125 1.00 0.67 O ATOM 459 CB HIS A 31 9.418 1.191 -12.465 1.00 0.60 C ATOM 460 CG HIS A 31 8.005 1.352 -12.925 1.00 0.67 C ATOM 461 ND1 HIS A 31 7.062 0.356 -12.821 1.00 1.25 N ATOM 462 CD2 HIS A 31 7.373 2.405 -13.492 1.00 1.11 C ATOM 463 CE1 HIS A 31 5.913 0.787 -13.302 1.00 1.16 C ATOM 464 NE2 HIS A 31 6.074 2.029 -13.716 1.00 0.94 N ATOM 0 H HIS A 31 8.616 3.108 -10.077 1.00 0.46 H new ATOM 0 HA HIS A 31 8.876 0.964 -10.389 1.00 0.50 H new ATOM 0 HB2 HIS A 31 10.060 1.846 -13.054 1.00 0.60 H new ATOM 0 HB3 HIS A 31 9.740 0.168 -12.661 1.00 0.60 H new ATOM 0 HD2 HIS A 31 7.811 3.364 -13.725 1.00 1.11 H new ATOM 0 HE1 HIS A 31 4.995 0.219 -13.349 1.00 1.16 H new ATOM 0 HE2 HIS A 31 5.350 2.614 -14.134 1.00 0.94 H new ATOM 473 N ARG A 32 11.553 1.632 -9.496 1.00 0.53 N ATOM 474 CA ARG A 32 12.794 1.141 -8.906 1.00 0.61 C ATOM 475 C ARG A 32 12.485 -0.021 -7.971 1.00 0.56 C ATOM 476 O ARG A 32 13.304 -0.919 -7.771 1.00 0.66 O ATOM 477 CB ARG A 32 13.514 2.261 -8.149 1.00 0.71 C ATOM 478 CG ARG A 32 13.998 3.390 -9.044 1.00 0.81 C ATOM 479 CD ARG A 32 14.569 4.537 -8.231 1.00 1.64 C ATOM 480 NE ARG A 32 15.013 5.644 -9.076 1.00 2.26 N ATOM 481 CZ ARG A 32 14.529 6.885 -9.001 1.00 3.24 C ATOM 482 NH1 ARG A 32 13.569 7.182 -8.129 1.00 3.73 N ATOM 483 NH2 ARG A 32 15.008 7.831 -9.800 1.00 4.08 N ATOM 0 H ARG A 32 11.168 2.464 -9.049 1.00 0.53 H new ATOM 0 HA ARG A 32 13.454 0.796 -9.702 1.00 0.61 H new ATOM 0 HB2 ARG A 32 12.840 2.670 -7.396 1.00 0.71 H new ATOM 0 HB3 ARG A 32 14.367 1.839 -7.618 1.00 0.71 H new ATOM 0 HG2 ARG A 32 14.759 3.013 -9.728 1.00 0.81 H new ATOM 0 HG3 ARG A 32 13.171 3.752 -9.655 1.00 0.81 H new ATOM 0 HD2 ARG A 32 13.814 4.896 -7.532 1.00 1.64 H new ATOM 0 HD3 ARG A 32 15.408 4.176 -7.636 1.00 1.64 H new ATOM 0 HE ARG A 32 15.739 5.456 -9.767 1.00 2.26 H new ATOM 0 HH11 ARG A 32 13.198 6.459 -7.512 1.00 3.73 H new ATOM 0 HH12 ARG A 32 13.204 8.133 -8.077 1.00 3.73 H new ATOM 0 HH21 ARG A 32 15.745 7.608 -10.470 1.00 4.08 H new ATOM 0 HH22 ARG A 32 14.639 8.780 -9.744 1.00 4.08 H new ATOM 497 N ALA A 33 11.290 0.011 -7.407 1.00 0.48 N ATOM 498 CA ALA A 33 10.790 -1.071 -6.579 1.00 0.45 C ATOM 499 C ALA A 33 9.569 -1.685 -7.244 1.00 0.43 C ATOM 500 O ALA A 33 8.935 -1.051 -8.091 1.00 0.49 O ATOM 501 CB ALA A 33 10.452 -0.561 -5.187 1.00 0.49 C ATOM 0 H ALA A 33 10.639 0.789 -7.511 1.00 0.48 H new ATOM 0 HA ALA A 33 11.560 -1.836 -6.474 1.00 0.45 H new ATOM 0 HB1 ALA A 33 10.078 -1.385 -4.579 1.00 0.49 H new ATOM 0 HB2 ALA A 33 11.347 -0.145 -4.725 1.00 0.49 H new ATOM 0 HB3 ALA A 33 9.688 0.213 -5.259 1.00 0.49 H new ATOM 507 N HIS A 34 9.237 -2.906 -6.869 1.00 0.39 N ATOM 508 CA HIS A 34 8.139 -3.622 -7.498 1.00 0.41 C ATOM 509 C HIS A 34 6.932 -3.648 -6.575 1.00 0.36 C ATOM 510 O HIS A 34 7.060 -3.905 -5.383 1.00 0.34 O ATOM 511 CB HIS A 34 8.575 -5.053 -7.849 1.00 0.48 C ATOM 512 CG HIS A 34 7.525 -5.848 -8.568 1.00 0.59 C ATOM 513 ND1 HIS A 34 7.301 -5.742 -9.921 1.00 0.79 N ATOM 514 CD2 HIS A 34 6.636 -6.763 -8.114 1.00 0.63 C ATOM 515 CE1 HIS A 34 6.322 -6.553 -10.270 1.00 0.89 C ATOM 516 NE2 HIS A 34 5.901 -7.186 -9.192 1.00 0.80 N ATOM 0 H HIS A 34 9.712 -3.425 -6.131 1.00 0.39 H new ATOM 0 HA HIS A 34 7.862 -3.106 -8.417 1.00 0.41 H new ATOM 0 HB2 HIS A 34 9.471 -5.008 -8.468 1.00 0.48 H new ATOM 0 HB3 HIS A 34 8.848 -5.575 -6.932 1.00 0.48 H new ATOM 0 HD2 HIS A 34 6.526 -7.097 -7.093 1.00 0.63 H new ATOM 0 HE1 HIS A 34 5.931 -6.678 -11.269 1.00 0.89 H new ATOM 0 HE2 HIS A 34 5.151 -7.877 -9.165 1.00 0.80 H new ATOM 525 N THR A 35 5.762 -3.384 -7.125 1.00 0.38 N ATOM 526 CA THR A 35 4.542 -3.405 -6.344 1.00 0.36 C ATOM 527 C THR A 35 3.663 -4.573 -6.770 1.00 0.39 C ATOM 528 O THR A 35 3.665 -4.971 -7.936 1.00 0.45 O ATOM 529 CB THR A 35 3.768 -2.081 -6.478 1.00 0.41 C ATOM 530 OG1 THR A 35 3.544 -1.766 -7.862 1.00 0.49 O ATOM 531 CG2 THR A 35 4.539 -0.951 -5.816 1.00 0.41 C ATOM 0 H THR A 35 5.632 -3.153 -8.110 1.00 0.38 H new ATOM 0 HA THR A 35 4.817 -3.529 -5.297 1.00 0.36 H new ATOM 0 HB THR A 35 2.805 -2.197 -5.981 1.00 0.41 H new ATOM 0 HG1 THR A 35 3.049 -0.923 -7.930 1.00 0.49 H new ATOM 0 HG21 THR A 35 3.980 -0.021 -5.918 1.00 0.41 H new ATOM 0 HG22 THR A 35 4.678 -1.176 -4.759 1.00 0.41 H new ATOM 0 HG23 THR A 35 5.512 -0.845 -6.296 1.00 0.41 H new ATOM 539 N ASP A 36 2.931 -5.139 -5.825 1.00 0.38 N ATOM 540 CA ASP A 36 2.124 -6.315 -6.102 1.00 0.44 C ATOM 541 C ASP A 36 0.852 -6.297 -5.268 1.00 0.39 C ATOM 542 O ASP A 36 0.904 -6.261 -4.038 1.00 0.47 O ATOM 543 CB ASP A 36 2.935 -7.584 -5.815 1.00 0.56 C ATOM 544 CG ASP A 36 2.194 -8.849 -6.184 1.00 0.92 C ATOM 545 OD1 ASP A 36 2.166 -9.197 -7.381 1.00 1.07 O ATOM 546 OD2 ASP A 36 1.620 -9.493 -5.279 1.00 1.56 O ATOM 0 H ASP A 36 2.879 -4.805 -4.863 1.00 0.38 H new ATOM 0 HA ASP A 36 1.842 -6.308 -7.155 1.00 0.44 H new ATOM 0 HB2 ASP A 36 3.873 -7.543 -6.369 1.00 0.56 H new ATOM 0 HB3 ASP A 36 3.191 -7.614 -4.756 1.00 0.56 H new ATOM 551 N VAL A 37 -0.287 -6.293 -5.942 1.00 0.37 N ATOM 552 CA VAL A 37 -1.572 -6.262 -5.265 1.00 0.37 C ATOM 553 C VAL A 37 -2.034 -7.664 -4.892 1.00 0.36 C ATOM 554 O VAL A 37 -2.373 -8.474 -5.758 1.00 0.48 O ATOM 555 CB VAL A 37 -2.654 -5.583 -6.131 1.00 0.44 C ATOM 556 CG1 VAL A 37 -4.023 -5.690 -5.473 1.00 0.50 C ATOM 557 CG2 VAL A 37 -2.301 -4.125 -6.387 1.00 0.54 C ATOM 0 H VAL A 37 -0.347 -6.311 -6.960 1.00 0.37 H new ATOM 0 HA VAL A 37 -1.432 -5.678 -4.355 1.00 0.37 H new ATOM 0 HB VAL A 37 -2.693 -6.103 -7.088 1.00 0.44 H new ATOM 0 HG11 VAL A 37 -4.768 -5.204 -6.103 1.00 0.50 H new ATOM 0 HG12 VAL A 37 -4.285 -6.741 -5.346 1.00 0.50 H new ATOM 0 HG13 VAL A 37 -3.997 -5.202 -4.499 1.00 0.50 H new ATOM 0 HG21 VAL A 37 -3.077 -3.665 -6.999 1.00 0.54 H new ATOM 0 HG22 VAL A 37 -2.228 -3.596 -5.437 1.00 0.54 H new ATOM 0 HG23 VAL A 37 -1.346 -4.068 -6.909 1.00 0.54 H new ATOM 567 N VAL A 38 -2.004 -7.953 -3.602 1.00 0.34 N ATOM 568 CA VAL A 38 -2.603 -9.165 -3.073 1.00 0.36 C ATOM 569 C VAL A 38 -4.119 -9.020 -3.102 1.00 0.42 C ATOM 570 O VAL A 38 -4.697 -8.307 -2.281 1.00 0.46 O ATOM 571 CB VAL A 38 -2.139 -9.444 -1.628 1.00 0.39 C ATOM 572 CG1 VAL A 38 -2.764 -10.721 -1.092 1.00 0.45 C ATOM 573 CG2 VAL A 38 -0.623 -9.518 -1.557 1.00 0.46 C ATOM 0 H VAL A 38 -1.567 -7.359 -2.897 1.00 0.34 H new ATOM 0 HA VAL A 38 -2.287 -10.004 -3.693 1.00 0.36 H new ATOM 0 HB VAL A 38 -2.473 -8.617 -1.001 1.00 0.39 H new ATOM 0 HG11 VAL A 38 -2.420 -10.894 -0.072 1.00 0.45 H new ATOM 0 HG12 VAL A 38 -3.850 -10.625 -1.098 1.00 0.45 H new ATOM 0 HG13 VAL A 38 -2.471 -11.561 -1.721 1.00 0.45 H new ATOM 0 HG21 VAL A 38 -0.316 -9.715 -0.530 1.00 0.46 H new ATOM 0 HG22 VAL A 38 -0.267 -10.321 -2.203 1.00 0.46 H new ATOM 0 HG23 VAL A 38 -0.197 -8.571 -1.887 1.00 0.46 H new ATOM 583 N GLY A 39 -4.745 -9.676 -4.065 1.00 0.58 N ATOM 584 CA GLY A 39 -6.162 -9.493 -4.293 1.00 0.74 C ATOM 585 C GLY A 39 -7.030 -10.263 -3.322 1.00 0.69 C ATOM 586 O GLY A 39 -6.529 -11.032 -2.498 1.00 0.84 O ATOM 0 H GLY A 39 -4.293 -10.337 -4.697 1.00 0.58 H new ATOM 0 HA2 GLY A 39 -6.400 -8.432 -4.220 1.00 0.74 H new ATOM 0 HA3 GLY A 39 -6.402 -9.804 -5.310 1.00 0.74 H new ATOM 590 N TYR A 40 -8.336 -10.059 -3.429 1.00 0.73 N ATOM 591 CA TYR A 40 -9.294 -10.728 -2.560 1.00 0.82 C ATOM 592 C TYR A 40 -9.660 -12.090 -3.134 1.00 1.19 C ATOM 593 O TYR A 40 -10.280 -12.183 -4.194 1.00 1.44 O ATOM 594 CB TYR A 40 -10.556 -9.865 -2.402 1.00 0.91 C ATOM 595 CG TYR A 40 -11.585 -10.427 -1.436 1.00 1.21 C ATOM 596 CD1 TYR A 40 -11.350 -10.451 -0.064 1.00 1.29 C ATOM 597 CD2 TYR A 40 -12.789 -10.944 -1.899 1.00 1.66 C ATOM 598 CE1 TYR A 40 -12.283 -10.978 0.812 1.00 1.73 C ATOM 599 CE2 TYR A 40 -13.726 -11.467 -1.029 1.00 2.08 C ATOM 600 CZ TYR A 40 -13.478 -11.432 0.343 1.00 2.09 C ATOM 601 OH TYR A 40 -14.399 -12.014 1.189 1.00 2.57 O ATOM 0 H TYR A 40 -8.758 -9.432 -4.114 1.00 0.73 H new ATOM 0 HA TYR A 40 -8.840 -10.870 -1.579 1.00 0.82 H new ATOM 0 HB2 TYR A 40 -10.262 -8.872 -2.063 1.00 0.91 H new ATOM 0 HB3 TYR A 40 -11.022 -9.743 -3.380 1.00 0.91 H new ATOM 0 HD1 TYR A 40 -10.424 -10.052 0.323 1.00 1.29 H new ATOM 0 HD2 TYR A 40 -12.996 -10.937 -2.959 1.00 1.66 H new ATOM 0 HE1 TYR A 40 -12.063 -11.029 1.868 1.00 1.73 H new ATOM 0 HE2 TYR A 40 -14.641 -11.898 -1.407 1.00 2.08 H new ATOM 0 HH TYR A 40 -14.265 -11.677 2.100 1.00 2.57 H new ATOM 611 N GLY A 41 -9.265 -13.142 -2.438 1.00 1.45 N ATOM 612 CA GLY A 41 -9.574 -14.484 -2.882 1.00 1.91 C ATOM 613 C GLY A 41 -10.136 -15.323 -1.760 1.00 2.10 C ATOM 614 O GLY A 41 -9.390 -15.949 -1.010 1.00 2.74 O ATOM 0 H GLY A 41 -8.733 -13.091 -1.569 1.00 1.45 H new ATOM 0 HA2 GLY A 41 -10.293 -14.441 -3.700 1.00 1.91 H new ATOM 0 HA3 GLY A 41 -8.673 -14.955 -3.274 1.00 1.91 H new ATOM 618 N GLY A 42 -11.452 -15.323 -1.633 1.00 2.18 N ATOM 619 CA GLY A 42 -12.088 -16.031 -0.545 1.00 2.55 C ATOM 620 C GLY A 42 -12.224 -15.155 0.680 1.00 2.43 C ATOM 621 O GLY A 42 -11.433 -14.230 0.878 1.00 2.95 O ATOM 0 H GLY A 42 -12.093 -14.844 -2.266 1.00 2.18 H new ATOM 0 HA2 GLY A 42 -13.073 -16.374 -0.859 1.00 2.55 H new ATOM 0 HA3 GLY A 42 -11.505 -16.918 -0.297 1.00 2.55 H new ATOM 625 N HIS A 43 -13.215 -15.441 1.509 1.00 2.38 N ATOM 626 CA HIS A 43 -13.459 -14.641 2.703 1.00 2.64 C ATOM 627 C HIS A 43 -12.303 -14.790 3.684 1.00 2.45 C ATOM 628 O HIS A 43 -11.654 -15.836 3.735 1.00 2.82 O ATOM 629 CB HIS A 43 -14.773 -15.047 3.379 1.00 3.41 C ATOM 630 CG HIS A 43 -15.973 -14.965 2.480 1.00 4.12 C ATOM 631 ND1 HIS A 43 -16.152 -13.963 1.549 1.00 4.78 N ATOM 632 CD2 HIS A 43 -17.051 -15.779 2.362 1.00 4.72 C ATOM 633 CE1 HIS A 43 -17.284 -14.162 0.902 1.00 5.56 C ATOM 634 NE2 HIS A 43 -17.850 -15.257 1.374 1.00 5.56 N ATOM 0 H HIS A 43 -13.863 -16.218 1.380 1.00 2.38 H new ATOM 0 HA HIS A 43 -13.538 -13.597 2.398 1.00 2.64 H new ATOM 0 HB2 HIS A 43 -14.679 -16.068 3.750 1.00 3.41 H new ATOM 0 HB3 HIS A 43 -14.937 -14.407 4.246 1.00 3.41 H new ATOM 0 HD1 HIS A 43 -15.509 -13.188 1.386 1.00 4.78 H new ATOM 0 HD2 HIS A 43 -17.245 -16.672 2.938 1.00 4.72 H new ATOM 0 HE1 HIS A 43 -17.681 -13.534 0.118 1.00 5.56 H new ATOM 643 N GLY A 44 -12.032 -13.733 4.436 1.00 2.45 N ATOM 644 CA GLY A 44 -10.955 -13.767 5.404 1.00 2.61 C ATOM 645 C GLY A 44 -9.606 -13.490 4.773 1.00 2.52 C ATOM 646 O GLY A 44 -8.567 -13.837 5.335 1.00 3.24 O ATOM 0 H GLY A 44 -12.541 -12.850 4.393 1.00 2.45 H new ATOM 0 HA2 GLY A 44 -11.147 -13.030 6.184 1.00 2.61 H new ATOM 0 HA3 GLY A 44 -10.934 -14.744 5.887 1.00 2.61 H new ATOM 650 N HIS A 45 -9.620 -12.865 3.603 1.00 2.13 N ATOM 651 CA HIS A 45 -8.390 -12.549 2.885 1.00 2.41 C ATOM 652 C HIS A 45 -8.334 -11.062 2.558 1.00 1.96 C ATOM 653 O HIS A 45 -8.776 -10.644 1.490 1.00 1.99 O ATOM 654 CB HIS A 45 -8.288 -13.372 1.594 1.00 3.13 C ATOM 655 CG HIS A 45 -8.096 -14.839 1.823 1.00 3.69 C ATOM 656 ND1 HIS A 45 -9.135 -15.702 2.104 1.00 4.34 N ATOM 657 CD2 HIS A 45 -6.975 -15.596 1.810 1.00 4.18 C ATOM 658 CE1 HIS A 45 -8.660 -16.923 2.254 1.00 4.97 C ATOM 659 NE2 HIS A 45 -7.355 -16.885 2.080 1.00 4.90 N ATOM 0 H HIS A 45 -10.472 -12.566 3.129 1.00 2.13 H new ATOM 0 HA HIS A 45 -7.547 -12.803 3.527 1.00 2.41 H new ATOM 0 HB2 HIS A 45 -9.194 -13.222 1.006 1.00 3.13 H new ATOM 0 HB3 HIS A 45 -7.456 -12.995 0.999 1.00 3.13 H new ATOM 0 HD1 HIS A 45 -10.117 -15.437 2.183 1.00 4.34 H new ATOM 0 HD2 HIS A 45 -5.969 -15.250 1.622 1.00 4.18 H new ATOM 0 HE1 HIS A 45 -9.242 -17.804 2.481 1.00 4.97 H new ATOM 668 N PRO A 46 -7.791 -10.246 3.475 1.00 1.70 N ATOM 669 CA PRO A 46 -7.735 -8.791 3.300 1.00 1.42 C ATOM 670 C PRO A 46 -6.855 -8.382 2.120 1.00 1.09 C ATOM 671 O PRO A 46 -5.721 -8.854 1.981 1.00 1.09 O ATOM 672 CB PRO A 46 -7.137 -8.287 4.619 1.00 1.54 C ATOM 673 CG PRO A 46 -6.409 -9.459 5.186 1.00 1.86 C ATOM 674 CD PRO A 46 -7.175 -10.673 4.745 1.00 1.87 C ATOM 0 HA PRO A 46 -8.717 -8.372 3.081 1.00 1.42 H new ATOM 0 HB2 PRO A 46 -6.463 -7.447 4.451 1.00 1.54 H new ATOM 0 HB3 PRO A 46 -7.916 -7.940 5.298 1.00 1.54 H new ATOM 0 HG2 PRO A 46 -5.381 -9.493 4.824 1.00 1.86 H new ATOM 0 HG3 PRO A 46 -6.362 -9.401 6.273 1.00 1.86 H new ATOM 0 HD2 PRO A 46 -6.520 -11.533 4.605 1.00 1.87 H new ATOM 0 HD3 PRO A 46 -7.927 -10.962 5.479 1.00 1.87 H new ATOM 682 N THR A 47 -7.389 -7.520 1.268 1.00 0.89 N ATOM 683 CA THR A 47 -6.656 -7.021 0.118 1.00 0.62 C ATOM 684 C THR A 47 -5.581 -6.038 0.573 1.00 0.51 C ATOM 685 O THR A 47 -5.823 -5.206 1.450 1.00 0.59 O ATOM 686 CB THR A 47 -7.617 -6.339 -0.876 1.00 0.62 C ATOM 687 OG1 THR A 47 -8.734 -7.203 -1.120 1.00 0.76 O ATOM 688 CG2 THR A 47 -6.924 -6.022 -2.199 1.00 0.55 C ATOM 0 H THR A 47 -8.336 -7.150 1.354 1.00 0.89 H new ATOM 0 HA THR A 47 -6.177 -7.861 -0.385 1.00 0.62 H new ATOM 0 HB THR A 47 -7.951 -5.399 -0.436 1.00 0.62 H new ATOM 0 HG1 THR A 47 -9.349 -6.773 -1.750 1.00 0.76 H new ATOM 0 HG21 THR A 47 -7.632 -5.542 -2.875 1.00 0.55 H new ATOM 0 HG22 THR A 47 -6.084 -5.352 -2.018 1.00 0.55 H new ATOM 0 HG23 THR A 47 -6.561 -6.946 -2.650 1.00 0.55 H new ATOM 696 N GLN A 48 -4.398 -6.136 -0.013 1.00 0.40 N ATOM 697 CA GLN A 48 -3.265 -5.345 0.437 1.00 0.36 C ATOM 698 C GLN A 48 -2.262 -5.162 -0.689 1.00 0.33 C ATOM 699 O GLN A 48 -2.151 -6.010 -1.572 1.00 0.40 O ATOM 700 CB GLN A 48 -2.600 -6.029 1.637 1.00 0.36 C ATOM 701 CG GLN A 48 -2.154 -7.459 1.361 1.00 0.39 C ATOM 702 CD GLN A 48 -1.751 -8.207 2.619 1.00 0.49 C ATOM 703 OE1 GLN A 48 -0.592 -8.171 3.033 1.00 1.06 O ATOM 704 NE2 GLN A 48 -2.701 -8.905 3.229 1.00 1.04 N ATOM 0 H GLN A 48 -4.198 -6.754 -0.799 1.00 0.40 H new ATOM 0 HA GLN A 48 -3.621 -4.360 0.740 1.00 0.36 H new ATOM 0 HB2 GLN A 48 -1.735 -5.442 1.944 1.00 0.36 H new ATOM 0 HB3 GLN A 48 -3.298 -6.031 2.474 1.00 0.36 H new ATOM 0 HG2 GLN A 48 -2.963 -7.998 0.868 1.00 0.39 H new ATOM 0 HG3 GLN A 48 -1.313 -7.444 0.668 1.00 0.39 H new ATOM 0 HE21 GLN A 48 -3.650 -8.910 2.855 1.00 1.04 H new ATOM 0 HE22 GLN A 48 -2.482 -9.436 4.072 1.00 1.04 H new ATOM 713 N VAL A 49 -1.542 -4.053 -0.669 1.00 0.29 N ATOM 714 CA VAL A 49 -0.524 -3.808 -1.671 1.00 0.29 C ATOM 715 C VAL A 49 0.860 -3.835 -1.031 1.00 0.28 C ATOM 716 O VAL A 49 1.154 -3.084 -0.098 1.00 0.30 O ATOM 717 CB VAL A 49 -0.757 -2.476 -2.428 1.00 0.32 C ATOM 718 CG1 VAL A 49 -0.723 -1.285 -1.485 1.00 0.32 C ATOM 719 CG2 VAL A 49 0.268 -2.306 -3.541 1.00 0.36 C ATOM 0 H VAL A 49 -1.644 -3.314 0.026 1.00 0.29 H new ATOM 0 HA VAL A 49 -0.589 -4.607 -2.410 1.00 0.29 H new ATOM 0 HB VAL A 49 -1.751 -2.518 -2.872 1.00 0.32 H new ATOM 0 HG11 VAL A 49 -0.890 -0.368 -2.051 1.00 0.32 H new ATOM 0 HG12 VAL A 49 -1.504 -1.394 -0.732 1.00 0.32 H new ATOM 0 HG13 VAL A 49 0.249 -1.237 -0.995 1.00 0.32 H new ATOM 0 HG21 VAL A 49 0.088 -1.365 -4.061 1.00 0.36 H new ATOM 0 HG22 VAL A 49 1.271 -2.299 -3.114 1.00 0.36 H new ATOM 0 HG23 VAL A 49 0.180 -3.133 -4.246 1.00 0.36 H new ATOM 729 N ARG A 50 1.684 -4.749 -1.502 1.00 0.31 N ATOM 730 CA ARG A 50 3.028 -4.902 -0.977 1.00 0.30 C ATOM 731 C ARG A 50 4.060 -4.291 -1.913 1.00 0.27 C ATOM 732 O ARG A 50 3.934 -4.372 -3.137 1.00 0.30 O ATOM 733 CB ARG A 50 3.339 -6.381 -0.734 1.00 0.34 C ATOM 734 CG ARG A 50 3.118 -7.257 -1.953 1.00 0.39 C ATOM 735 CD ARG A 50 3.383 -8.720 -1.650 1.00 0.52 C ATOM 736 NE ARG A 50 3.004 -9.584 -2.768 1.00 1.34 N ATOM 737 CZ ARG A 50 3.309 -10.874 -2.848 1.00 1.60 C ATOM 738 NH1 ARG A 50 4.028 -11.458 -1.896 1.00 1.15 N ATOM 739 NH2 ARG A 50 2.897 -11.575 -3.893 1.00 2.62 N ATOM 0 H ARG A 50 1.446 -5.400 -2.250 1.00 0.31 H new ATOM 0 HA ARG A 50 3.080 -4.369 -0.027 1.00 0.30 H new ATOM 0 HB2 ARG A 50 4.376 -6.477 -0.411 1.00 0.34 H new ATOM 0 HB3 ARG A 50 2.716 -6.745 0.083 1.00 0.34 H new ATOM 0 HG2 ARG A 50 2.093 -7.138 -2.305 1.00 0.39 H new ATOM 0 HG3 ARG A 50 3.772 -6.928 -2.760 1.00 0.39 H new ATOM 0 HD2 ARG A 50 4.441 -8.859 -1.426 1.00 0.52 H new ATOM 0 HD3 ARG A 50 2.827 -9.013 -0.759 1.00 0.52 H new ATOM 0 HE ARG A 50 2.472 -9.170 -3.534 1.00 1.34 H new ATOM 0 HH11 ARG A 50 4.351 -10.915 -1.095 1.00 1.15 H new ATOM 0 HH12 ARG A 50 4.257 -12.449 -1.966 1.00 1.15 H new ATOM 0 HH21 ARG A 50 2.351 -11.124 -4.627 1.00 2.62 H new ATOM 0 HH22 ARG A 50 3.126 -12.566 -3.964 1.00 2.62 H new ATOM 753 N ILE A 51 5.060 -3.659 -1.325 1.00 0.24 N ATOM 754 CA ILE A 51 6.174 -3.114 -2.074 1.00 0.23 C ATOM 755 C ILE A 51 7.417 -3.939 -1.783 1.00 0.24 C ATOM 756 O ILE A 51 7.915 -3.947 -0.657 1.00 0.27 O ATOM 757 CB ILE A 51 6.454 -1.642 -1.705 1.00 0.28 C ATOM 758 CG1 ILE A 51 5.158 -0.825 -1.721 1.00 0.34 C ATOM 759 CG2 ILE A 51 7.467 -1.045 -2.673 1.00 0.31 C ATOM 760 CD1 ILE A 51 5.334 0.600 -1.240 1.00 0.42 C ATOM 0 H ILE A 51 5.121 -3.510 -0.318 1.00 0.24 H new ATOM 0 HA ILE A 51 5.917 -3.153 -3.132 1.00 0.23 H new ATOM 0 HB ILE A 51 6.867 -1.609 -0.697 1.00 0.28 H new ATOM 0 HG12 ILE A 51 4.760 -0.811 -2.736 1.00 0.34 H new ATOM 0 HG13 ILE A 51 4.417 -1.322 -1.095 1.00 0.34 H new ATOM 0 HG21 ILE A 51 7.658 -0.006 -2.405 1.00 0.31 H new ATOM 0 HG22 ILE A 51 8.397 -1.610 -2.621 1.00 0.31 H new ATOM 0 HG23 ILE A 51 7.071 -1.091 -3.688 1.00 0.31 H new ATOM 0 HD11 ILE A 51 4.376 1.118 -1.279 1.00 0.42 H new ATOM 0 HD12 ILE A 51 5.703 0.595 -0.214 1.00 0.42 H new ATOM 0 HD13 ILE A 51 6.051 1.114 -1.880 1.00 0.42 H new ATOM 772 N VAL A 52 7.895 -4.649 -2.786 1.00 0.24 N ATOM 773 CA VAL A 52 9.063 -5.497 -2.635 1.00 0.30 C ATOM 774 C VAL A 52 10.205 -4.965 -3.489 1.00 0.34 C ATOM 775 O VAL A 52 9.995 -4.518 -4.618 1.00 0.33 O ATOM 776 CB VAL A 52 8.754 -6.961 -3.033 1.00 0.36 C ATOM 777 CG1 VAL A 52 9.950 -7.871 -2.779 1.00 0.46 C ATOM 778 CG2 VAL A 52 7.526 -7.472 -2.292 1.00 0.38 C ATOM 0 H VAL A 52 7.489 -4.656 -3.722 1.00 0.24 H new ATOM 0 HA VAL A 52 9.352 -5.484 -1.584 1.00 0.30 H new ATOM 0 HB VAL A 52 8.545 -6.976 -4.103 1.00 0.36 H new ATOM 0 HG11 VAL A 52 9.699 -8.891 -3.069 1.00 0.46 H new ATOM 0 HG12 VAL A 52 10.801 -7.526 -3.366 1.00 0.46 H new ATOM 0 HG13 VAL A 52 10.206 -7.848 -1.720 1.00 0.46 H new ATOM 0 HG21 VAL A 52 7.326 -8.502 -2.586 1.00 0.38 H new ATOM 0 HG22 VAL A 52 7.705 -7.430 -1.218 1.00 0.38 H new ATOM 0 HG23 VAL A 52 6.666 -6.850 -2.541 1.00 0.38 H new ATOM 788 N ALA A 53 11.406 -4.993 -2.941 1.00 0.42 N ATOM 789 CA ALA A 53 12.582 -4.534 -3.660 1.00 0.53 C ATOM 790 C ALA A 53 13.406 -5.721 -4.147 1.00 0.73 C ATOM 791 O ALA A 53 14.142 -6.336 -3.371 1.00 0.93 O ATOM 792 CB ALA A 53 13.423 -3.626 -2.773 1.00 0.70 C ATOM 0 H ALA A 53 11.594 -5.330 -1.997 1.00 0.42 H new ATOM 0 HA ALA A 53 12.257 -3.963 -4.530 1.00 0.53 H new ATOM 0 HB1 ALA A 53 14.301 -3.290 -3.325 1.00 0.70 H new ATOM 0 HB2 ALA A 53 12.831 -2.762 -2.472 1.00 0.70 H new ATOM 0 HB3 ALA A 53 13.740 -4.175 -1.887 1.00 0.70 H new ATOM 798 N PRO A 54 13.294 -6.066 -5.442 1.00 0.85 N ATOM 799 CA PRO A 54 14.029 -7.187 -6.029 1.00 1.12 C ATOM 800 C PRO A 54 15.468 -6.812 -6.370 1.00 1.33 C ATOM 801 O PRO A 54 15.953 -7.074 -7.471 1.00 1.67 O ATOM 802 CB PRO A 54 13.232 -7.494 -7.299 1.00 1.38 C ATOM 803 CG PRO A 54 12.658 -6.181 -7.709 1.00 1.38 C ATOM 804 CD PRO A 54 12.437 -5.392 -6.440 1.00 0.90 C ATOM 0 HA PRO A 54 14.112 -8.034 -5.348 1.00 1.12 H new ATOM 0 HB2 PRO A 54 13.872 -7.908 -8.078 1.00 1.38 H new ATOM 0 HB3 PRO A 54 12.448 -8.227 -7.108 1.00 1.38 H new ATOM 0 HG2 PRO A 54 13.336 -5.654 -8.380 1.00 1.38 H new ATOM 0 HG3 PRO A 54 11.721 -6.319 -8.248 1.00 1.38 H new ATOM 0 HD2 PRO A 54 12.719 -4.347 -6.566 1.00 0.90 H new ATOM 0 HD3 PRO A 54 11.389 -5.405 -6.140 1.00 0.90 H new ATOM 812 N HIS A 55 16.146 -6.190 -5.420 1.00 1.70 N ATOM 813 CA HIS A 55 17.527 -5.793 -5.609 1.00 2.07 C ATOM 814 C HIS A 55 18.279 -5.910 -4.288 1.00 2.00 C ATOM 815 O HIS A 55 18.566 -4.909 -3.630 1.00 2.68 O ATOM 816 CB HIS A 55 17.610 -4.361 -6.153 1.00 3.16 C ATOM 817 CG HIS A 55 18.962 -3.995 -6.690 1.00 3.95 C ATOM 818 ND1 HIS A 55 19.332 -4.199 -8.001 1.00 4.65 N ATOM 819 CD2 HIS A 55 20.031 -3.425 -6.086 1.00 4.64 C ATOM 820 CE1 HIS A 55 20.568 -3.773 -8.179 1.00 5.54 C ATOM 821 NE2 HIS A 55 21.014 -3.300 -7.034 1.00 5.53 N ATOM 0 H HIS A 55 15.759 -5.949 -4.508 1.00 1.70 H new ATOM 0 HA HIS A 55 17.989 -6.457 -6.340 1.00 2.07 H new ATOM 0 HB2 HIS A 55 16.870 -4.239 -6.944 1.00 3.16 H new ATOM 0 HB3 HIS A 55 17.344 -3.664 -5.358 1.00 3.16 H new ATOM 0 HD2 HIS A 55 20.097 -3.125 -5.051 1.00 4.64 H new ATOM 0 HE1 HIS A 55 21.120 -3.807 -9.107 1.00 5.54 H new ATOM 0 HE2 HIS A 55 21.941 -2.904 -6.877 1.00 5.53 H new ATOM 830 N ALA A 56 18.589 -7.142 -3.905 1.00 2.11 N ATOM 831 CA ALA A 56 19.265 -7.408 -2.642 1.00 2.93 C ATOM 832 C ALA A 56 20.758 -7.115 -2.742 1.00 3.03 C ATOM 833 O ALA A 56 21.492 -7.214 -1.756 1.00 3.40 O ATOM 834 CB ALA A 56 19.032 -8.845 -2.208 1.00 3.83 C ATOM 0 H ALA A 56 18.382 -7.976 -4.454 1.00 2.11 H new ATOM 0 HA ALA A 56 18.843 -6.743 -1.889 1.00 2.93 H new ATOM 0 HB1 ALA A 56 19.544 -9.027 -1.263 1.00 3.83 H new ATOM 0 HB2 ALA A 56 17.963 -9.018 -2.081 1.00 3.83 H new ATOM 0 HB3 ALA A 56 19.422 -9.522 -2.968 1.00 3.83 H new ATOM 840 N GLU A 57 21.210 -6.754 -3.934 1.00 3.26 N ATOM 841 CA GLU A 57 22.598 -6.369 -4.139 1.00 3.76 C ATOM 842 C GLU A 57 22.782 -4.903 -3.749 1.00 3.61 C ATOM 843 O GLU A 57 23.134 -4.060 -4.572 1.00 3.99 O ATOM 844 CB GLU A 57 23.005 -6.594 -5.599 1.00 4.58 C ATOM 845 CG GLU A 57 24.503 -6.495 -5.845 1.00 5.31 C ATOM 846 CD GLU A 57 25.284 -7.518 -5.051 1.00 5.69 C ATOM 847 OE1 GLU A 57 25.379 -8.679 -5.500 1.00 5.97 O ATOM 848 OE2 GLU A 57 25.798 -7.168 -3.967 1.00 6.04 O ATOM 0 H GLU A 57 20.634 -6.720 -4.775 1.00 3.26 H new ATOM 0 HA GLU A 57 23.239 -6.987 -3.511 1.00 3.76 H new ATOM 0 HB2 GLU A 57 22.659 -7.579 -5.914 1.00 4.58 H new ATOM 0 HB3 GLU A 57 22.495 -5.862 -6.225 1.00 4.58 H new ATOM 0 HG2 GLU A 57 24.704 -6.632 -6.907 1.00 5.31 H new ATOM 0 HG3 GLU A 57 24.847 -5.495 -5.582 1.00 5.31 H new ATOM 855 N HIS A 58 22.510 -4.607 -2.489 1.00 3.56 N ATOM 856 CA HIS A 58 22.619 -3.251 -1.968 1.00 3.76 C ATOM 857 C HIS A 58 22.956 -3.320 -0.482 1.00 3.57 C ATOM 858 O HIS A 58 22.291 -2.715 0.357 1.00 4.09 O ATOM 859 CB HIS A 58 21.301 -2.491 -2.203 1.00 4.54 C ATOM 860 CG HIS A 58 21.394 -0.999 -2.034 1.00 5.13 C ATOM 861 ND1 HIS A 58 21.623 -0.138 -3.085 1.00 5.69 N ATOM 862 CD2 HIS A 58 21.254 -0.215 -0.939 1.00 5.69 C ATOM 863 CE1 HIS A 58 21.621 1.105 -2.643 1.00 6.45 C ATOM 864 NE2 HIS A 58 21.398 1.088 -1.344 1.00 6.46 N ATOM 0 H HIS A 58 22.208 -5.295 -1.799 1.00 3.56 H new ATOM 0 HA HIS A 58 23.412 -2.712 -2.486 1.00 3.76 H new ATOM 0 HB2 HIS A 58 20.948 -2.707 -3.212 1.00 4.54 H new ATOM 0 HB3 HIS A 58 20.549 -2.874 -1.513 1.00 4.54 H new ATOM 0 HD1 HIS A 58 21.771 -0.418 -4.055 1.00 5.69 H new ATOM 0 HD2 HIS A 58 21.064 -0.553 0.069 1.00 5.69 H new ATOM 0 HE1 HIS A 58 21.776 1.988 -3.245 1.00 6.45 H new ATOM 873 N VAL A 59 23.986 -4.091 -0.167 1.00 3.30 N ATOM 874 CA VAL A 59 24.375 -4.308 1.216 1.00 3.48 C ATOM 875 C VAL A 59 25.696 -3.613 1.523 1.00 2.89 C ATOM 876 O VAL A 59 26.775 -4.193 1.369 1.00 3.24 O ATOM 877 CB VAL A 59 24.502 -5.810 1.547 1.00 4.38 C ATOM 878 CG1 VAL A 59 24.786 -6.013 3.031 1.00 5.11 C ATOM 879 CG2 VAL A 59 23.243 -6.559 1.139 1.00 5.10 C ATOM 0 H VAL A 59 24.567 -4.576 -0.851 1.00 3.30 H new ATOM 0 HA VAL A 59 23.586 -3.882 1.836 1.00 3.48 H new ATOM 0 HB VAL A 59 25.340 -6.213 0.979 1.00 4.38 H new ATOM 0 HG11 VAL A 59 24.872 -7.079 3.243 1.00 5.11 H new ATOM 0 HG12 VAL A 59 25.719 -5.515 3.294 1.00 5.11 H new ATOM 0 HG13 VAL A 59 23.971 -5.591 3.619 1.00 5.11 H new ATOM 0 HG21 VAL A 59 23.354 -7.616 1.381 1.00 5.10 H new ATOM 0 HG22 VAL A 59 22.387 -6.151 1.677 1.00 5.10 H new ATOM 0 HG23 VAL A 59 23.085 -6.447 0.066 1.00 5.10 H new ATOM 889 N ARG A 60 25.603 -2.356 1.917 1.00 2.60 N ATOM 890 CA ARG A 60 26.755 -1.613 2.407 1.00 2.50 C ATOM 891 C ARG A 60 26.495 -1.188 3.850 1.00 2.31 C ATOM 892 O ARG A 60 27.366 -0.648 4.530 1.00 2.94 O ATOM 893 CB ARG A 60 27.036 -0.400 1.501 1.00 3.03 C ATOM 894 CG ARG A 60 28.216 0.462 1.929 1.00 3.53 C ATOM 895 CD ARG A 60 29.467 -0.362 2.210 1.00 4.11 C ATOM 896 NE ARG A 60 29.933 -1.100 1.039 1.00 4.48 N ATOM 897 CZ ARG A 60 30.817 -2.097 1.094 1.00 5.30 C ATOM 898 NH1 ARG A 60 31.319 -2.484 2.260 1.00 5.79 N ATOM 899 NH2 ARG A 60 31.198 -2.707 -0.018 1.00 5.97 N ATOM 0 H ARG A 60 24.734 -1.822 1.908 1.00 2.60 H new ATOM 0 HA ARG A 60 27.642 -2.246 2.384 1.00 2.50 H new ATOM 0 HB2 ARG A 60 27.215 -0.757 0.487 1.00 3.03 H new ATOM 0 HB3 ARG A 60 26.143 0.224 1.467 1.00 3.03 H new ATOM 0 HG2 ARG A 60 28.432 1.191 1.148 1.00 3.53 H new ATOM 0 HG3 ARG A 60 27.946 1.024 2.823 1.00 3.53 H new ATOM 0 HD2 ARG A 60 30.261 0.299 2.557 1.00 4.11 H new ATOM 0 HD3 ARG A 60 29.260 -1.064 3.018 1.00 4.11 H new ATOM 0 HE ARG A 60 29.561 -0.838 0.126 1.00 4.48 H new ATOM 0 HH11 ARG A 60 31.029 -2.018 3.120 1.00 5.79 H new ATOM 0 HH12 ARG A 60 31.995 -3.247 2.296 1.00 5.79 H new ATOM 0 HH21 ARG A 60 30.815 -2.414 -0.917 1.00 5.97 H new ATOM 0 HH22 ARG A 60 31.874 -3.469 0.025 1.00 5.97 H new ATOM 913 N GLY A 61 25.287 -1.460 4.312 1.00 1.94 N ATOM 914 CA GLY A 61 24.923 -1.151 5.678 1.00 1.93 C ATOM 915 C GLY A 61 23.939 -2.154 6.236 1.00 1.61 C ATOM 916 O GLY A 61 24.232 -2.849 7.211 1.00 1.76 O ATOM 0 H GLY A 61 24.546 -1.893 3.761 1.00 1.94 H new ATOM 0 HA2 GLY A 61 25.819 -1.136 6.299 1.00 1.93 H new ATOM 0 HA3 GLY A 61 24.489 -0.152 5.722 1.00 1.93 H new ATOM 920 N TYR A 62 22.767 -2.230 5.623 1.00 1.30 N ATOM 921 CA TYR A 62 21.737 -3.156 6.070 1.00 1.07 C ATOM 922 C TYR A 62 21.643 -4.344 5.117 1.00 0.90 C ATOM 923 O TYR A 62 21.791 -4.188 3.907 1.00 0.91 O ATOM 924 CB TYR A 62 20.375 -2.454 6.158 1.00 1.04 C ATOM 925 CG TYR A 62 20.410 -1.118 6.874 1.00 1.31 C ATOM 926 CD1 TYR A 62 20.748 -1.047 8.220 1.00 1.54 C ATOM 927 CD2 TYR A 62 20.118 0.069 6.208 1.00 1.51 C ATOM 928 CE1 TYR A 62 20.791 0.164 8.883 1.00 1.83 C ATOM 929 CE2 TYR A 62 20.161 1.285 6.867 1.00 1.79 C ATOM 930 CZ TYR A 62 20.447 1.343 8.172 1.00 1.91 C ATOM 931 OH TYR A 62 20.548 2.532 8.864 1.00 2.22 O ATOM 0 H TYR A 62 22.506 -1.663 4.816 1.00 1.30 H new ATOM 0 HA TYR A 62 22.011 -3.514 7.063 1.00 1.07 H new ATOM 0 HB2 TYR A 62 19.991 -2.303 5.149 1.00 1.04 H new ATOM 0 HB3 TYR A 62 19.673 -3.111 6.672 1.00 1.04 H new ATOM 0 HD1 TYR A 62 20.981 -1.955 8.757 1.00 1.54 H new ATOM 0 HD2 TYR A 62 19.854 0.040 5.161 1.00 1.51 H new ATOM 0 HE1 TYR A 62 21.081 0.213 9.922 1.00 1.83 H new ATOM 0 HE2 TYR A 62 19.962 2.196 6.322 1.00 1.79 H new ATOM 0 HH TYR A 62 20.289 3.274 8.279 1.00 2.22 H new ATOM 941 N ALA A 63 21.392 -5.522 5.663 1.00 0.92 N ATOM 942 CA ALA A 63 21.250 -6.723 4.855 1.00 0.91 C ATOM 943 C ALA A 63 19.807 -7.211 4.873 1.00 0.78 C ATOM 944 O ALA A 63 19.537 -8.405 5.000 1.00 0.94 O ATOM 945 CB ALA A 63 22.192 -7.808 5.351 1.00 1.16 C ATOM 0 H ALA A 63 21.282 -5.673 6.666 1.00 0.92 H new ATOM 0 HA ALA A 63 21.515 -6.483 3.825 1.00 0.91 H new ATOM 0 HB1 ALA A 63 22.074 -8.701 4.737 1.00 1.16 H new ATOM 0 HB2 ALA A 63 23.221 -7.455 5.285 1.00 1.16 H new ATOM 0 HB3 ALA A 63 21.957 -8.048 6.388 1.00 1.16 H new ATOM 951 N HIS A 64 18.878 -6.275 4.758 1.00 0.60 N ATOM 952 CA HIS A 64 17.456 -6.597 4.764 1.00 0.51 C ATOM 953 C HIS A 64 16.780 -6.016 3.530 1.00 0.47 C ATOM 954 O HIS A 64 16.767 -4.798 3.342 1.00 0.48 O ATOM 955 CB HIS A 64 16.766 -6.044 6.018 1.00 0.54 C ATOM 956 CG HIS A 64 17.205 -6.670 7.306 1.00 0.73 C ATOM 957 ND1 HIS A 64 16.562 -7.747 7.874 1.00 0.99 N ATOM 958 CD2 HIS A 64 18.211 -6.348 8.152 1.00 1.01 C ATOM 959 CE1 HIS A 64 17.150 -8.058 9.014 1.00 1.13 C ATOM 960 NE2 HIS A 64 18.154 -7.224 9.206 1.00 1.10 N ATOM 0 H HIS A 64 19.083 -5.281 4.659 1.00 0.60 H new ATOM 0 HA HIS A 64 17.364 -7.683 4.761 1.00 0.51 H new ATOM 0 HB2 HIS A 64 16.948 -4.971 6.072 1.00 0.54 H new ATOM 0 HB3 HIS A 64 15.690 -6.180 5.913 1.00 0.54 H new ATOM 0 HD2 HIS A 64 18.926 -5.549 8.021 1.00 1.01 H new ATOM 0 HE1 HIS A 64 16.859 -8.859 9.677 1.00 1.13 H new ATOM 0 HE2 HIS A 64 18.785 -7.230 10.007 1.00 1.10 H new ATOM 969 N PRO A 65 16.232 -6.877 2.660 1.00 0.58 N ATOM 970 CA PRO A 65 15.453 -6.435 1.503 1.00 0.64 C ATOM 971 C PRO A 65 14.165 -5.748 1.938 1.00 0.53 C ATOM 972 O PRO A 65 13.516 -6.179 2.893 1.00 0.54 O ATOM 973 CB PRO A 65 15.134 -7.734 0.747 1.00 0.84 C ATOM 974 CG PRO A 65 16.063 -8.758 1.309 1.00 1.08 C ATOM 975 CD PRO A 65 16.331 -8.342 2.725 1.00 0.77 C ATOM 0 HA PRO A 65 15.995 -5.710 0.895 1.00 0.64 H new ATOM 0 HB2 PRO A 65 14.094 -8.027 0.890 1.00 0.84 H new ATOM 0 HB3 PRO A 65 15.286 -7.612 -0.325 1.00 0.84 H new ATOM 0 HG2 PRO A 65 15.616 -9.752 1.272 1.00 1.08 H new ATOM 0 HG3 PRO A 65 16.988 -8.803 0.734 1.00 1.08 H new ATOM 0 HD2 PRO A 65 15.602 -8.766 3.416 1.00 0.77 H new ATOM 0 HD3 PRO A 65 17.316 -8.666 3.062 1.00 0.77 H new ATOM 983 N LEU A 66 13.803 -4.678 1.249 1.00 0.50 N ATOM 984 CA LEU A 66 12.608 -3.922 1.593 1.00 0.44 C ATOM 985 C LEU A 66 11.360 -4.728 1.243 1.00 0.35 C ATOM 986 O LEU A 66 11.156 -5.104 0.087 1.00 0.37 O ATOM 987 CB LEU A 66 12.620 -2.571 0.862 1.00 0.52 C ATOM 988 CG LEU A 66 11.611 -1.522 1.354 1.00 0.71 C ATOM 989 CD1 LEU A 66 12.054 -0.134 0.927 1.00 1.20 C ATOM 990 CD2 LEU A 66 10.216 -1.801 0.815 1.00 1.05 C ATOM 0 H LEU A 66 14.319 -4.313 0.448 1.00 0.50 H new ATOM 0 HA LEU A 66 12.595 -3.730 2.666 1.00 0.44 H new ATOM 0 HB2 LEU A 66 13.621 -2.147 0.943 1.00 0.52 H new ATOM 0 HB3 LEU A 66 12.435 -2.753 -0.197 1.00 0.52 H new ATOM 0 HG LEU A 66 11.575 -1.577 2.442 1.00 0.71 H new ATOM 0 HD11 LEU A 66 11.333 0.603 1.280 1.00 1.20 H new ATOM 0 HD12 LEU A 66 13.033 0.083 1.354 1.00 1.20 H new ATOM 0 HD13 LEU A 66 12.115 -0.090 -0.160 1.00 1.20 H new ATOM 0 HD21 LEU A 66 9.526 -1.041 1.181 1.00 1.05 H new ATOM 0 HD22 LEU A 66 10.236 -1.778 -0.275 1.00 1.05 H new ATOM 0 HD23 LEU A 66 9.886 -2.784 1.152 1.00 1.05 H new ATOM 1002 N ASN A 67 10.543 -5.002 2.252 1.00 0.32 N ATOM 1003 CA ASN A 67 9.301 -5.741 2.061 1.00 0.31 C ATOM 1004 C ASN A 67 8.205 -5.146 2.936 1.00 0.30 C ATOM 1005 O ASN A 67 8.122 -5.434 4.137 1.00 0.40 O ATOM 1006 CB ASN A 67 9.489 -7.226 2.394 1.00 0.42 C ATOM 1007 CG ASN A 67 8.265 -8.061 2.046 1.00 0.51 C ATOM 1008 OD1 ASN A 67 8.160 -8.601 0.944 1.00 0.63 O ATOM 1009 ND2 ASN A 67 7.330 -8.172 2.977 1.00 0.54 N ATOM 0 H ASN A 67 10.720 -4.722 3.217 1.00 0.32 H new ATOM 0 HA ASN A 67 9.011 -5.660 1.013 1.00 0.31 H new ATOM 0 HB2 ASN A 67 10.353 -7.610 1.852 1.00 0.42 H new ATOM 0 HB3 ASN A 67 9.707 -7.332 3.457 1.00 0.42 H new ATOM 0 HD21 ASN A 67 6.489 -8.719 2.792 1.00 0.54 H new ATOM 0 HD22 ASN A 67 7.451 -7.711 3.879 1.00 0.54 H new ATOM 1016 N LEU A 68 7.374 -4.313 2.327 1.00 0.26 N ATOM 1017 CA LEU A 68 6.316 -3.617 3.043 1.00 0.24 C ATOM 1018 C LEU A 68 4.944 -4.134 2.632 1.00 0.23 C ATOM 1019 O LEU A 68 4.660 -4.283 1.448 1.00 0.25 O ATOM 1020 CB LEU A 68 6.401 -2.112 2.763 1.00 0.26 C ATOM 1021 CG LEU A 68 5.223 -1.278 3.275 1.00 0.27 C ATOM 1022 CD1 LEU A 68 5.212 -1.232 4.792 1.00 0.31 C ATOM 1023 CD2 LEU A 68 5.277 0.128 2.701 1.00 0.32 C ATOM 0 H LEU A 68 7.413 -4.102 1.330 1.00 0.26 H new ATOM 0 HA LEU A 68 6.450 -3.802 4.109 1.00 0.24 H new ATOM 0 HB2 LEU A 68 7.317 -1.728 3.211 1.00 0.26 H new ATOM 0 HB3 LEU A 68 6.487 -1.965 1.686 1.00 0.26 H new ATOM 0 HG LEU A 68 4.300 -1.753 2.942 1.00 0.27 H new ATOM 0 HD11 LEU A 68 4.366 -0.634 5.132 1.00 0.31 H new ATOM 0 HD12 LEU A 68 5.122 -2.244 5.186 1.00 0.31 H new ATOM 0 HD13 LEU A 68 6.140 -0.785 5.149 1.00 0.31 H new ATOM 0 HD21 LEU A 68 4.432 0.707 3.075 1.00 0.32 H new ATOM 0 HD22 LEU A 68 6.208 0.608 3.002 1.00 0.32 H new ATOM 0 HD23 LEU A 68 5.229 0.079 1.613 1.00 0.32 H new ATOM 1035 N ALA A 69 4.108 -4.417 3.615 1.00 0.24 N ATOM 1036 CA ALA A 69 2.726 -4.793 3.352 1.00 0.25 C ATOM 1037 C ALA A 69 1.771 -3.746 3.907 1.00 0.24 C ATOM 1038 O ALA A 69 1.681 -3.554 5.119 1.00 0.28 O ATOM 1039 CB ALA A 69 2.417 -6.158 3.947 1.00 0.30 C ATOM 0 H ALA A 69 4.360 -4.394 4.603 1.00 0.24 H new ATOM 0 HA ALA A 69 2.589 -4.849 2.272 1.00 0.25 H new ATOM 0 HB1 ALA A 69 1.379 -6.419 3.739 1.00 0.30 H new ATOM 0 HB2 ALA A 69 3.075 -6.905 3.504 1.00 0.30 H new ATOM 0 HB3 ALA A 69 2.575 -6.129 5.025 1.00 0.30 H new ATOM 1045 N LEU A 70 1.074 -3.060 3.013 1.00 0.22 N ATOM 1046 CA LEU A 70 0.122 -2.029 3.407 1.00 0.22 C ATOM 1047 C LEU A 70 -1.280 -2.609 3.520 1.00 0.23 C ATOM 1048 O LEU A 70 -1.841 -3.087 2.533 1.00 0.28 O ATOM 1049 CB LEU A 70 0.122 -0.884 2.387 1.00 0.23 C ATOM 1050 CG LEU A 70 1.410 -0.059 2.315 1.00 0.23 C ATOM 1051 CD1 LEU A 70 1.353 0.908 1.147 1.00 0.27 C ATOM 1052 CD2 LEU A 70 1.633 0.703 3.611 1.00 0.25 C ATOM 0 H LEU A 70 1.150 -3.199 2.005 1.00 0.22 H new ATOM 0 HA LEU A 70 0.425 -1.643 4.380 1.00 0.22 H new ATOM 0 HB2 LEU A 70 -0.076 -1.301 1.400 1.00 0.23 H new ATOM 0 HB3 LEU A 70 -0.705 -0.213 2.621 1.00 0.23 H new ATOM 0 HG LEU A 70 2.245 -0.743 2.167 1.00 0.23 H new ATOM 0 HD11 LEU A 70 2.275 1.487 1.109 1.00 0.27 H new ATOM 0 HD12 LEU A 70 1.236 0.350 0.218 1.00 0.27 H new ATOM 0 HD13 LEU A 70 0.506 1.582 1.274 1.00 0.27 H new ATOM 0 HD21 LEU A 70 2.553 1.283 3.539 1.00 0.25 H new ATOM 0 HD22 LEU A 70 0.793 1.376 3.787 1.00 0.25 H new ATOM 0 HD23 LEU A 70 1.712 -0.002 4.439 1.00 0.25 H new ATOM 1064 N THR A 71 -1.841 -2.566 4.721 1.00 0.21 N ATOM 1065 CA THR A 71 -3.192 -3.058 4.949 1.00 0.23 C ATOM 1066 C THR A 71 -4.060 -1.941 5.523 1.00 0.22 C ATOM 1067 O THR A 71 -3.559 -1.067 6.235 1.00 0.21 O ATOM 1068 CB THR A 71 -3.191 -4.272 5.907 1.00 0.29 C ATOM 1069 OG1 THR A 71 -2.509 -3.945 7.125 1.00 0.75 O ATOM 1070 CG2 THR A 71 -2.515 -5.477 5.270 1.00 0.52 C ATOM 0 H THR A 71 -1.381 -2.195 5.552 1.00 0.21 H new ATOM 0 HA THR A 71 -3.602 -3.382 3.993 1.00 0.23 H new ATOM 0 HB THR A 71 -4.230 -4.522 6.120 1.00 0.29 H new ATOM 0 HG1 THR A 71 -1.736 -3.377 6.925 1.00 0.75 H new ATOM 0 HG21 THR A 71 -2.530 -6.314 5.968 1.00 0.52 H new ATOM 0 HG22 THR A 71 -3.047 -5.754 4.360 1.00 0.52 H new ATOM 0 HG23 THR A 71 -1.483 -5.228 5.025 1.00 0.52 H new ATOM 1078 N TRP A 72 -5.353 -1.971 5.229 1.00 0.25 N ATOM 1079 CA TRP A 72 -6.248 -0.892 5.635 1.00 0.27 C ATOM 1080 C TRP A 72 -7.427 -1.415 6.440 1.00 0.28 C ATOM 1081 O TRP A 72 -7.744 -2.608 6.415 1.00 0.32 O ATOM 1082 CB TRP A 72 -6.749 -0.120 4.408 1.00 0.31 C ATOM 1083 CG TRP A 72 -5.720 0.799 3.817 1.00 0.29 C ATOM 1084 CD1 TRP A 72 -5.476 2.091 4.180 1.00 0.32 C ATOM 1085 CD2 TRP A 72 -4.802 0.502 2.758 1.00 0.28 C ATOM 1086 NE1 TRP A 72 -4.460 2.613 3.421 1.00 0.32 N ATOM 1087 CE2 TRP A 72 -4.030 1.659 2.539 1.00 0.29 C ATOM 1088 CE3 TRP A 72 -4.553 -0.630 1.975 1.00 0.29 C ATOM 1089 CZ2 TRP A 72 -3.031 1.718 1.573 1.00 0.30 C ATOM 1090 CZ3 TRP A 72 -3.561 -0.569 1.015 1.00 0.31 C ATOM 1091 CH2 TRP A 72 -2.811 0.599 0.823 1.00 0.31 C ATOM 0 H TRP A 72 -5.805 -2.726 4.714 1.00 0.25 H new ATOM 0 HA TRP A 72 -5.679 -0.217 6.274 1.00 0.27 H new ATOM 0 HB2 TRP A 72 -7.069 -0.832 3.647 1.00 0.31 H new ATOM 0 HB3 TRP A 72 -7.626 0.463 4.689 1.00 0.31 H new ATOM 0 HD1 TRP A 72 -6.007 2.626 4.954 1.00 0.32 H new ATOM 0 HE1 TRP A 72 -4.086 3.558 3.501 1.00 0.32 H new ATOM 0 HE3 TRP A 72 -5.125 -1.535 2.118 1.00 0.29 H new ATOM 0 HZ2 TRP A 72 -2.451 2.616 1.422 1.00 0.30 H new ATOM 0 HZ3 TRP A 72 -3.360 -1.436 0.403 1.00 0.31 H new ATOM 0 HH2 TRP A 72 -2.042 0.614 0.065 1.00 0.31 H new ATOM 1102 N ASN A 73 -8.047 -0.511 7.184 1.00 0.31 N ATOM 1103 CA ASN A 73 -9.237 -0.821 7.961 1.00 0.35 C ATOM 1104 C ASN A 73 -10.438 -0.997 7.036 1.00 0.31 C ATOM 1105 O ASN A 73 -10.738 -0.122 6.223 1.00 0.30 O ATOM 1106 CB ASN A 73 -9.508 0.304 8.963 1.00 0.45 C ATOM 1107 CG ASN A 73 -8.448 0.396 10.045 1.00 0.76 C ATOM 1108 OD1 ASN A 73 -7.892 -0.617 10.477 1.00 1.02 O ATOM 1109 ND2 ASN A 73 -8.149 1.612 10.482 1.00 0.94 N ATOM 0 H ASN A 73 -7.739 0.458 7.266 1.00 0.31 H new ATOM 0 HA ASN A 73 -9.074 -1.752 8.504 1.00 0.35 H new ATOM 0 HB2 ASN A 73 -9.561 1.254 8.431 1.00 0.45 H new ATOM 0 HB3 ASN A 73 -10.481 0.144 9.427 1.00 0.45 H new ATOM 0 HD21 ASN A 73 -7.436 1.735 11.201 1.00 0.94 H new ATOM 0 HD22 ASN A 73 -8.632 2.425 10.099 1.00 0.94 H new ATOM 1116 N THR A 74 -11.120 -2.133 7.168 1.00 0.36 N ATOM 1117 CA THR A 74 -12.229 -2.485 6.285 1.00 0.38 C ATOM 1118 C THR A 74 -13.372 -1.466 6.355 1.00 0.37 C ATOM 1119 O THR A 74 -14.128 -1.318 5.397 1.00 0.38 O ATOM 1120 CB THR A 74 -12.765 -3.910 6.573 1.00 0.50 C ATOM 1121 OG1 THR A 74 -13.732 -4.286 5.584 1.00 0.74 O ATOM 1122 CG2 THR A 74 -13.392 -3.999 7.956 1.00 0.71 C ATOM 0 H THR A 74 -10.921 -2.831 7.885 1.00 0.36 H new ATOM 0 HA THR A 74 -11.826 -2.468 5.272 1.00 0.38 H new ATOM 0 HB THR A 74 -11.918 -4.595 6.535 1.00 0.50 H new ATOM 0 HG1 THR A 74 -14.062 -5.189 5.776 1.00 0.74 H new ATOM 0 HG21 THR A 74 -13.758 -5.012 8.125 1.00 0.71 H new ATOM 0 HG22 THR A 74 -12.645 -3.752 8.711 1.00 0.71 H new ATOM 0 HG23 THR A 74 -14.223 -3.297 8.025 1.00 0.71 H new ATOM 1130 N ASP A 75 -13.504 -0.780 7.487 1.00 0.39 N ATOM 1131 CA ASP A 75 -14.501 0.281 7.625 1.00 0.45 C ATOM 1132 C ASP A 75 -14.188 1.420 6.666 1.00 0.40 C ATOM 1133 O ASP A 75 -15.071 1.935 5.980 1.00 0.44 O ATOM 1134 CB ASP A 75 -14.543 0.820 9.059 1.00 0.55 C ATOM 1135 CG ASP A 75 -15.258 -0.104 10.023 1.00 1.11 C ATOM 1136 OD1 ASP A 75 -14.604 -1.009 10.581 1.00 1.37 O ATOM 1137 OD2 ASP A 75 -16.480 0.057 10.218 1.00 1.98 O ATOM 0 H ASP A 75 -12.936 -0.938 8.320 1.00 0.39 H new ATOM 0 HA ASP A 75 -15.476 -0.144 7.386 1.00 0.45 H new ATOM 0 HB2 ASP A 75 -13.524 0.982 9.409 1.00 0.55 H new ATOM 0 HB3 ASP A 75 -15.039 1.791 9.061 1.00 0.55 H new ATOM 1142 N GLU A 76 -12.923 1.814 6.640 1.00 0.39 N ATOM 1143 CA GLU A 76 -12.444 2.829 5.714 1.00 0.44 C ATOM 1144 C GLU A 76 -12.683 2.405 4.269 1.00 0.38 C ATOM 1145 O GLU A 76 -13.078 3.220 3.434 1.00 0.41 O ATOM 1146 CB GLU A 76 -10.957 3.099 5.947 1.00 0.53 C ATOM 1147 CG GLU A 76 -10.672 4.082 7.076 1.00 0.85 C ATOM 1148 CD GLU A 76 -11.475 3.805 8.332 1.00 0.97 C ATOM 1149 OE1 GLU A 76 -11.320 2.707 8.909 1.00 1.57 O ATOM 1150 OE2 GLU A 76 -12.249 4.683 8.759 1.00 1.25 O ATOM 0 H GLU A 76 -12.202 1.441 7.258 1.00 0.39 H new ATOM 0 HA GLU A 76 -13.003 3.747 5.897 1.00 0.44 H new ATOM 0 HB2 GLU A 76 -10.458 2.155 6.167 1.00 0.53 H new ATOM 0 HB3 GLU A 76 -10.520 3.484 5.026 1.00 0.53 H new ATOM 0 HG2 GLU A 76 -9.610 4.048 7.318 1.00 0.85 H new ATOM 0 HG3 GLU A 76 -10.888 5.093 6.731 1.00 0.85 H new ATOM 1157 N ILE A 77 -12.444 1.129 3.981 1.00 0.34 N ATOM 1158 CA ILE A 77 -12.711 0.572 2.656 1.00 0.34 C ATOM 1159 C ILE A 77 -14.186 0.738 2.284 1.00 0.34 C ATOM 1160 O ILE A 77 -14.514 1.134 1.165 1.00 0.37 O ATOM 1161 CB ILE A 77 -12.336 -0.928 2.588 1.00 0.34 C ATOM 1162 CG1 ILE A 77 -10.867 -1.144 2.988 1.00 0.37 C ATOM 1163 CG2 ILE A 77 -12.592 -1.481 1.191 1.00 0.39 C ATOM 1164 CD1 ILE A 77 -10.427 -2.596 2.929 1.00 0.40 C ATOM 0 H ILE A 77 -12.065 0.458 4.649 1.00 0.34 H new ATOM 0 HA ILE A 77 -12.093 1.122 1.946 1.00 0.34 H new ATOM 0 HB ILE A 77 -12.966 -1.467 3.296 1.00 0.34 H new ATOM 0 HG12 ILE A 77 -10.230 -0.553 2.330 1.00 0.37 H new ATOM 0 HG13 ILE A 77 -10.716 -0.768 4.000 1.00 0.37 H new ATOM 0 HG21 ILE A 77 -12.322 -2.537 1.163 1.00 0.39 H new ATOM 0 HG22 ILE A 77 -13.648 -1.369 0.943 1.00 0.39 H new ATOM 0 HG23 ILE A 77 -11.989 -0.933 0.467 1.00 0.39 H new ATOM 0 HD11 ILE A 77 -9.380 -2.671 3.224 1.00 0.40 H new ATOM 0 HD12 ILE A 77 -11.039 -3.190 3.608 1.00 0.40 H new ATOM 0 HD13 ILE A 77 -10.545 -2.971 1.912 1.00 0.40 H new ATOM 1176 N GLU A 78 -15.062 0.455 3.240 1.00 0.34 N ATOM 1177 CA GLU A 78 -16.502 0.591 3.041 1.00 0.37 C ATOM 1178 C GLU A 78 -16.853 2.039 2.711 1.00 0.38 C ATOM 1179 O GLU A 78 -17.689 2.316 1.850 1.00 0.40 O ATOM 1180 CB GLU A 78 -17.240 0.149 4.310 1.00 0.43 C ATOM 1181 CG GLU A 78 -18.744 0.011 4.144 1.00 0.64 C ATOM 1182 CD GLU A 78 -19.129 -1.138 3.237 1.00 1.33 C ATOM 1183 OE1 GLU A 78 -18.703 -2.283 3.510 1.00 1.65 O ATOM 1184 OE2 GLU A 78 -19.877 -0.912 2.267 1.00 2.15 O ATOM 0 H GLU A 78 -14.798 0.127 4.169 1.00 0.34 H new ATOM 0 HA GLU A 78 -16.808 -0.041 2.208 1.00 0.37 H new ATOM 0 HB2 GLU A 78 -16.833 -0.808 4.638 1.00 0.43 H new ATOM 0 HB3 GLU A 78 -17.039 0.869 5.103 1.00 0.43 H new ATOM 0 HG2 GLU A 78 -19.201 -0.135 5.123 1.00 0.64 H new ATOM 0 HG3 GLU A 78 -19.147 0.939 3.739 1.00 0.64 H new ATOM 1191 N ARG A 79 -16.185 2.961 3.392 1.00 0.40 N ATOM 1192 CA ARG A 79 -16.415 4.386 3.202 1.00 0.45 C ATOM 1193 C ARG A 79 -15.998 4.829 1.804 1.00 0.42 C ATOM 1194 O ARG A 79 -16.535 5.797 1.271 1.00 0.45 O ATOM 1195 CB ARG A 79 -15.653 5.193 4.254 1.00 0.56 C ATOM 1196 CG ARG A 79 -16.019 6.671 4.283 1.00 1.06 C ATOM 1197 CD ARG A 79 -17.451 6.886 4.752 1.00 1.60 C ATOM 1198 NE ARG A 79 -17.672 6.345 6.094 1.00 2.14 N ATOM 1199 CZ ARG A 79 -18.745 6.601 6.841 1.00 3.09 C ATOM 1200 NH1 ARG A 79 -19.698 7.418 6.397 1.00 3.61 N ATOM 1201 NH2 ARG A 79 -18.855 6.046 8.041 1.00 3.96 N ATOM 0 H ARG A 79 -15.472 2.743 4.088 1.00 0.40 H new ATOM 0 HA ARG A 79 -17.483 4.570 3.315 1.00 0.45 H new ATOM 0 HB2 ARG A 79 -15.844 4.762 5.237 1.00 0.56 H new ATOM 0 HB3 ARG A 79 -14.584 5.097 4.067 1.00 0.56 H new ATOM 0 HG2 ARG A 79 -15.335 7.203 4.945 1.00 1.06 H new ATOM 0 HG3 ARG A 79 -15.894 7.097 3.287 1.00 1.06 H new ATOM 0 HD2 ARG A 79 -17.678 7.952 4.748 1.00 1.60 H new ATOM 0 HD3 ARG A 79 -18.138 6.411 4.051 1.00 1.60 H new ATOM 0 HE ARG A 79 -16.957 5.731 6.483 1.00 2.14 H new ATOM 0 HH11 ARG A 79 -19.610 7.853 5.479 1.00 3.61 H new ATOM 0 HH12 ARG A 79 -20.516 7.609 6.975 1.00 3.61 H new ATOM 0 HH21 ARG A 79 -18.121 5.428 8.386 1.00 3.96 H new ATOM 0 HH22 ARG A 79 -19.674 6.238 8.618 1.00 3.96 H new ATOM 1215 N LEU A 80 -15.032 4.125 1.216 1.00 0.40 N ATOM 1216 CA LEU A 80 -14.533 4.463 -0.118 1.00 0.44 C ATOM 1217 C LEU A 80 -15.627 4.308 -1.170 1.00 0.47 C ATOM 1218 O LEU A 80 -15.531 4.858 -2.264 1.00 0.52 O ATOM 1219 CB LEU A 80 -13.333 3.588 -0.494 1.00 0.48 C ATOM 1220 CG LEU A 80 -12.109 3.707 0.418 1.00 0.49 C ATOM 1221 CD1 LEU A 80 -10.964 2.870 -0.128 1.00 0.55 C ATOM 1222 CD2 LEU A 80 -11.675 5.162 0.572 1.00 0.55 C ATOM 0 H LEU A 80 -14.579 3.317 1.642 1.00 0.40 H new ATOM 0 HA LEU A 80 -14.216 5.506 -0.091 1.00 0.44 H new ATOM 0 HB2 LEU A 80 -13.655 2.547 -0.503 1.00 0.48 H new ATOM 0 HB3 LEU A 80 -13.030 3.837 -1.511 1.00 0.48 H new ATOM 0 HG LEU A 80 -12.384 3.332 1.404 1.00 0.49 H new ATOM 0 HD11 LEU A 80 -10.100 2.963 0.529 1.00 0.55 H new ATOM 0 HD12 LEU A 80 -11.270 1.825 -0.180 1.00 0.55 H new ATOM 0 HD13 LEU A 80 -10.700 3.221 -1.126 1.00 0.55 H new ATOM 0 HD21 LEU A 80 -10.804 5.215 1.225 1.00 0.55 H new ATOM 0 HD22 LEU A 80 -11.421 5.571 -0.406 1.00 0.55 H new ATOM 0 HD23 LEU A 80 -12.490 5.741 1.007 1.00 0.55 H new ATOM 1234 N MET A 81 -16.674 3.570 -0.825 1.00 0.49 N ATOM 1235 CA MET A 81 -17.790 3.346 -1.737 1.00 0.57 C ATOM 1236 C MET A 81 -18.790 4.494 -1.642 1.00 0.53 C ATOM 1237 O MET A 81 -19.881 4.438 -2.208 1.00 0.61 O ATOM 1238 CB MET A 81 -18.480 2.019 -1.412 1.00 0.67 C ATOM 1239 CG MET A 81 -17.529 0.834 -1.378 1.00 0.79 C ATOM 1240 SD MET A 81 -18.363 -0.722 -1.016 1.00 1.85 S ATOM 1241 CE MET A 81 -19.434 -0.879 -2.442 1.00 2.59 C ATOM 0 H MET A 81 -16.775 3.115 0.082 1.00 0.49 H new ATOM 0 HA MET A 81 -17.404 3.302 -2.755 1.00 0.57 H new ATOM 0 HB2 MET A 81 -18.977 2.104 -0.446 1.00 0.67 H new ATOM 0 HB3 MET A 81 -19.256 1.831 -2.154 1.00 0.67 H new ATOM 0 HG2 MET A 81 -17.022 0.754 -2.339 1.00 0.79 H new ATOM 0 HG3 MET A 81 -16.760 1.012 -0.626 1.00 0.79 H new ATOM 0 HE1 MET A 81 -19.741 -1.919 -2.554 1.00 2.59 H new ATOM 0 HE2 MET A 81 -20.316 -0.253 -2.305 1.00 2.59 H new ATOM 0 HE3 MET A 81 -18.898 -0.561 -3.336 1.00 2.59 H new ATOM 1251 N GLU A 82 -18.405 5.528 -0.912 1.00 0.47 N ATOM 1252 CA GLU A 82 -19.238 6.702 -0.731 1.00 0.48 C ATOM 1253 C GLU A 82 -18.571 7.912 -1.378 1.00 0.43 C ATOM 1254 O GLU A 82 -17.361 7.893 -1.605 1.00 0.43 O ATOM 1255 CB GLU A 82 -19.452 6.961 0.765 1.00 0.56 C ATOM 1256 CG GLU A 82 -20.558 7.951 1.070 1.00 1.21 C ATOM 1257 CD GLU A 82 -21.886 7.503 0.510 1.00 1.59 C ATOM 1258 OE1 GLU A 82 -22.603 6.752 1.202 1.00 1.61 O ATOM 1259 OE2 GLU A 82 -22.208 7.878 -0.634 1.00 2.34 O ATOM 0 H GLU A 82 -17.508 5.576 -0.430 1.00 0.47 H new ATOM 0 HA GLU A 82 -20.205 6.532 -1.205 1.00 0.48 H new ATOM 0 HB2 GLU A 82 -19.679 6.016 1.257 1.00 0.56 H new ATOM 0 HB3 GLU A 82 -18.521 7.329 1.196 1.00 0.56 H new ATOM 0 HG2 GLU A 82 -20.644 8.078 2.149 1.00 1.21 H new ATOM 0 HG3 GLU A 82 -20.299 8.924 0.654 1.00 1.21 H new ATOM 1266 N ALA A 83 -19.342 8.951 -1.679 1.00 0.52 N ATOM 1267 CA ALA A 83 -18.779 10.170 -2.260 1.00 0.61 C ATOM 1268 C ALA A 83 -17.667 10.735 -1.375 1.00 0.55 C ATOM 1269 O ALA A 83 -16.574 11.053 -1.851 1.00 0.57 O ATOM 1270 CB ALA A 83 -19.870 11.212 -2.468 1.00 0.79 C ATOM 0 H ALA A 83 -20.351 8.977 -1.533 1.00 0.52 H new ATOM 0 HA ALA A 83 -18.347 9.916 -3.228 1.00 0.61 H new ATOM 0 HB1 ALA A 83 -19.435 12.113 -2.901 1.00 0.79 H new ATOM 0 HB2 ALA A 83 -20.628 10.815 -3.143 1.00 0.79 H new ATOM 0 HB3 ALA A 83 -20.329 11.455 -1.509 1.00 0.79 H new ATOM 1276 N ASP A 84 -17.952 10.819 -0.078 1.00 0.57 N ATOM 1277 CA ASP A 84 -16.998 11.335 0.902 1.00 0.61 C ATOM 1278 C ASP A 84 -15.740 10.481 0.927 1.00 0.49 C ATOM 1279 O ASP A 84 -14.634 10.982 1.147 1.00 0.51 O ATOM 1280 CB ASP A 84 -17.620 11.342 2.304 1.00 0.77 C ATOM 1281 CG ASP A 84 -18.971 12.022 2.346 1.00 1.17 C ATOM 1282 OD1 ASP A 84 -19.019 13.253 2.560 1.00 1.47 O ATOM 1283 OD2 ASP A 84 -19.990 11.327 2.159 1.00 1.76 O ATOM 0 H ASP A 84 -18.846 10.533 0.322 1.00 0.57 H new ATOM 0 HA ASP A 84 -16.740 12.353 0.611 1.00 0.61 H new ATOM 0 HB2 ASP A 84 -17.725 10.315 2.654 1.00 0.77 H new ATOM 0 HB3 ASP A 84 -16.943 11.847 2.994 1.00 0.77 H new ATOM 1288 N GLY A 85 -15.913 9.194 0.665 1.00 0.43 N ATOM 1289 CA GLY A 85 -14.814 8.264 0.761 1.00 0.41 C ATOM 1290 C GLY A 85 -13.867 8.386 -0.407 1.00 0.38 C ATOM 1291 O GLY A 85 -12.651 8.444 -0.219 1.00 0.39 O ATOM 0 H GLY A 85 -16.802 8.778 0.386 1.00 0.43 H new ATOM 0 HA2 GLY A 85 -14.270 8.440 1.689 1.00 0.41 H new ATOM 0 HA3 GLY A 85 -15.203 7.247 0.808 1.00 0.41 H new ATOM 1295 N ALA A 86 -14.418 8.413 -1.617 1.00 0.41 N ATOM 1296 CA ALA A 86 -13.626 8.635 -2.819 1.00 0.46 C ATOM 1297 C ALA A 86 -12.833 9.933 -2.726 1.00 0.45 C ATOM 1298 O ALA A 86 -11.691 10.006 -3.181 1.00 0.45 O ATOM 1299 CB ALA A 86 -14.527 8.652 -4.046 1.00 0.57 C ATOM 0 H ALA A 86 -15.415 8.283 -1.790 1.00 0.41 H new ATOM 0 HA ALA A 86 -12.915 7.814 -2.912 1.00 0.46 H new ATOM 0 HB1 ALA A 86 -13.924 8.819 -4.938 1.00 0.57 H new ATOM 0 HB2 ALA A 86 -15.044 7.696 -4.131 1.00 0.57 H new ATOM 0 HB3 ALA A 86 -15.259 9.453 -3.948 1.00 0.57 H new ATOM 1305 N ALA A 87 -13.438 10.951 -2.123 1.00 0.47 N ATOM 1306 CA ALA A 87 -12.757 12.220 -1.904 1.00 0.53 C ATOM 1307 C ALA A 87 -11.523 12.036 -1.030 1.00 0.48 C ATOM 1308 O ALA A 87 -10.491 12.674 -1.251 1.00 0.51 O ATOM 1309 CB ALA A 87 -13.705 13.228 -1.276 1.00 0.63 C ATOM 0 H ALA A 87 -14.397 10.921 -1.778 1.00 0.47 H new ATOM 0 HA ALA A 87 -12.432 12.600 -2.872 1.00 0.53 H new ATOM 0 HB1 ALA A 87 -13.181 14.171 -1.119 1.00 0.63 H new ATOM 0 HB2 ALA A 87 -14.554 13.391 -1.939 1.00 0.63 H new ATOM 0 HB3 ALA A 87 -14.060 12.846 -0.319 1.00 0.63 H new ATOM 1315 N ARG A 88 -11.617 11.138 -0.054 1.00 0.45 N ATOM 1316 CA ARG A 88 -10.491 10.869 0.829 1.00 0.48 C ATOM 1317 C ARG A 88 -9.407 10.100 0.086 1.00 0.40 C ATOM 1318 O ARG A 88 -8.224 10.271 0.356 1.00 0.42 O ATOM 1319 CB ARG A 88 -10.928 10.079 2.063 1.00 0.56 C ATOM 1320 CG ARG A 88 -11.964 10.793 2.913 1.00 0.96 C ATOM 1321 CD ARG A 88 -12.067 10.176 4.296 1.00 1.41 C ATOM 1322 NE ARG A 88 -12.249 8.726 4.248 1.00 1.91 N ATOM 1323 CZ ARG A 88 -12.662 8.000 5.287 1.00 2.82 C ATOM 1324 NH1 ARG A 88 -12.976 8.590 6.434 1.00 3.26 N ATOM 1325 NH2 ARG A 88 -12.763 6.681 5.175 1.00 3.71 N ATOM 0 H ARG A 88 -12.454 10.589 0.143 1.00 0.45 H new ATOM 0 HA ARG A 88 -10.093 11.829 1.158 1.00 0.48 H new ATOM 0 HB2 ARG A 88 -11.333 9.119 1.743 1.00 0.56 H new ATOM 0 HB3 ARG A 88 -10.052 9.867 2.676 1.00 0.56 H new ATOM 0 HG2 ARG A 88 -11.700 11.847 3.002 1.00 0.96 H new ATOM 0 HG3 ARG A 88 -12.935 10.748 2.420 1.00 0.96 H new ATOM 0 HD2 ARG A 88 -11.165 10.408 4.862 1.00 1.41 H new ATOM 0 HD3 ARG A 88 -12.903 10.627 4.831 1.00 1.41 H new ATOM 0 HE ARG A 88 -12.049 8.244 3.372 1.00 1.91 H new ATOM 0 HH11 ARG A 88 -12.902 9.603 6.523 1.00 3.26 H new ATOM 0 HH12 ARG A 88 -13.292 8.030 7.226 1.00 3.26 H new ATOM 0 HH21 ARG A 88 -12.525 6.224 4.295 1.00 3.71 H new ATOM 0 HH22 ARG A 88 -13.079 6.124 5.969 1.00 3.71 H new ATOM 1339 N PHE A 89 -9.822 9.261 -0.857 1.00 0.35 N ATOM 1340 CA PHE A 89 -8.881 8.487 -1.657 1.00 0.34 C ATOM 1341 C PHE A 89 -8.005 9.415 -2.488 1.00 0.33 C ATOM 1342 O PHE A 89 -6.789 9.238 -2.559 1.00 0.33 O ATOM 1343 CB PHE A 89 -9.625 7.500 -2.568 1.00 0.36 C ATOM 1344 CG PHE A 89 -8.719 6.640 -3.410 1.00 0.41 C ATOM 1345 CD1 PHE A 89 -7.971 5.625 -2.834 1.00 0.51 C ATOM 1346 CD2 PHE A 89 -8.615 6.847 -4.779 1.00 0.45 C ATOM 1347 CE1 PHE A 89 -7.139 4.836 -3.603 1.00 0.58 C ATOM 1348 CE2 PHE A 89 -7.785 6.059 -5.552 1.00 0.54 C ATOM 1349 CZ PHE A 89 -7.045 5.052 -4.963 1.00 0.58 C ATOM 0 H PHE A 89 -10.803 9.100 -1.086 1.00 0.35 H new ATOM 0 HA PHE A 89 -8.245 7.916 -0.980 1.00 0.34 H new ATOM 0 HB2 PHE A 89 -10.252 6.855 -1.952 1.00 0.36 H new ATOM 0 HB3 PHE A 89 -10.291 8.059 -3.225 1.00 0.36 H new ATOM 0 HD1 PHE A 89 -8.040 5.449 -1.771 1.00 0.51 H new ATOM 0 HD2 PHE A 89 -9.190 7.634 -5.245 1.00 0.45 H new ATOM 0 HE1 PHE A 89 -6.561 4.049 -3.140 1.00 0.58 H new ATOM 0 HE2 PHE A 89 -7.714 6.230 -6.616 1.00 0.54 H new ATOM 0 HZ PHE A 89 -6.394 4.435 -5.565 1.00 0.58 H new ATOM 1359 N GLU A 90 -8.624 10.423 -3.096 1.00 0.35 N ATOM 1360 CA GLU A 90 -7.890 11.396 -3.892 1.00 0.39 C ATOM 1361 C GLU A 90 -6.928 12.183 -3.011 1.00 0.38 C ATOM 1362 O GLU A 90 -5.797 12.479 -3.407 1.00 0.41 O ATOM 1363 CB GLU A 90 -8.852 12.358 -4.599 1.00 0.47 C ATOM 1364 CG GLU A 90 -9.758 11.693 -5.626 1.00 0.70 C ATOM 1365 CD GLU A 90 -10.622 12.693 -6.362 1.00 1.37 C ATOM 1366 OE1 GLU A 90 -10.109 13.385 -7.267 1.00 1.67 O ATOM 1367 OE2 GLU A 90 -11.822 12.802 -6.031 1.00 2.10 O ATOM 0 H GLU A 90 -9.630 10.585 -3.052 1.00 0.35 H new ATOM 0 HA GLU A 90 -7.321 10.855 -4.648 1.00 0.39 H new ATOM 0 HB2 GLU A 90 -9.472 12.850 -3.849 1.00 0.47 H new ATOM 0 HB3 GLU A 90 -8.271 13.136 -5.094 1.00 0.47 H new ATOM 0 HG2 GLU A 90 -9.148 11.145 -6.344 1.00 0.70 H new ATOM 0 HG3 GLU A 90 -10.396 10.963 -5.127 1.00 0.70 H new ATOM 1374 N ARG A 91 -7.383 12.501 -1.807 1.00 0.39 N ATOM 1375 CA ARG A 91 -6.580 13.258 -0.861 1.00 0.44 C ATOM 1376 C ARG A 91 -5.431 12.401 -0.332 1.00 0.37 C ATOM 1377 O ARG A 91 -4.360 12.911 -0.003 1.00 0.38 O ATOM 1378 CB ARG A 91 -7.452 13.745 0.299 1.00 0.53 C ATOM 1379 CG ARG A 91 -6.772 14.769 1.190 1.00 0.73 C ATOM 1380 CD ARG A 91 -6.495 16.062 0.441 1.00 1.31 C ATOM 1381 NE ARG A 91 -5.770 17.030 1.260 1.00 2.11 N ATOM 1382 CZ ARG A 91 -5.472 18.264 0.859 1.00 3.10 C ATOM 1383 NH1 ARG A 91 -5.854 18.684 -0.340 1.00 3.51 N ATOM 1384 NH2 ARG A 91 -4.799 19.079 1.658 1.00 4.06 N ATOM 0 H ARG A 91 -8.308 12.244 -1.463 1.00 0.39 H new ATOM 0 HA ARG A 91 -6.161 14.123 -1.375 1.00 0.44 H new ATOM 0 HB2 ARG A 91 -8.367 14.179 -0.104 1.00 0.53 H new ATOM 0 HB3 ARG A 91 -7.746 12.888 0.905 1.00 0.53 H new ATOM 0 HG2 ARG A 91 -7.402 14.976 2.055 1.00 0.73 H new ATOM 0 HG3 ARG A 91 -5.836 14.359 1.569 1.00 0.73 H new ATOM 0 HD2 ARG A 91 -5.917 15.843 -0.457 1.00 1.31 H new ATOM 0 HD3 ARG A 91 -7.438 16.500 0.114 1.00 1.31 H new ATOM 0 HE ARG A 91 -5.475 16.744 2.194 1.00 2.11 H new ATOM 0 HH11 ARG A 91 -6.377 18.061 -0.956 1.00 3.51 H new ATOM 0 HH12 ARG A 91 -5.625 19.630 -0.646 1.00 3.51 H new ATOM 0 HH21 ARG A 91 -4.508 18.761 2.583 1.00 4.06 H new ATOM 0 HH22 ARG A 91 -4.572 20.024 1.348 1.00 4.06 H new ATOM 1398 N TYR A 92 -5.657 11.092 -0.278 1.00 0.33 N ATOM 1399 CA TYR A 92 -4.658 10.158 0.219 1.00 0.32 C ATOM 1400 C TYR A 92 -3.540 9.991 -0.803 1.00 0.30 C ATOM 1401 O TYR A 92 -2.374 9.841 -0.442 1.00 0.32 O ATOM 1402 CB TYR A 92 -5.305 8.802 0.530 1.00 0.34 C ATOM 1403 CG TYR A 92 -4.340 7.757 1.052 1.00 0.38 C ATOM 1404 CD1 TYR A 92 -3.848 7.827 2.350 1.00 0.47 C ATOM 1405 CD2 TYR A 92 -3.923 6.700 0.250 1.00 0.41 C ATOM 1406 CE1 TYR A 92 -2.970 6.876 2.833 1.00 0.56 C ATOM 1407 CE2 TYR A 92 -3.046 5.746 0.727 1.00 0.48 C ATOM 1408 CZ TYR A 92 -2.569 5.834 2.004 1.00 0.55 C ATOM 1409 OH TYR A 92 -1.698 4.889 2.497 1.00 0.64 O ATOM 0 H TYR A 92 -6.529 10.654 -0.575 1.00 0.33 H new ATOM 0 HA TYR A 92 -4.232 10.558 1.139 1.00 0.32 H new ATOM 0 HB2 TYR A 92 -6.095 8.950 1.266 1.00 0.34 H new ATOM 0 HB3 TYR A 92 -5.779 8.422 -0.375 1.00 0.34 H new ATOM 0 HD1 TYR A 92 -4.157 8.639 2.992 1.00 0.47 H new ATOM 0 HD2 TYR A 92 -4.291 6.624 -0.762 1.00 0.41 H new ATOM 0 HE1 TYR A 92 -2.599 6.941 3.845 1.00 0.56 H new ATOM 0 HE2 TYR A 92 -2.737 4.930 0.090 1.00 0.48 H new ATOM 0 HH TYR A 92 -1.832 4.793 3.463 1.00 0.64 H new ATOM 1419 N LEU A 93 -3.902 10.035 -2.082 1.00 0.31 N ATOM 1420 CA LEU A 93 -2.923 9.935 -3.157 1.00 0.34 C ATOM 1421 C LEU A 93 -1.971 11.125 -3.113 1.00 0.35 C ATOM 1422 O LEU A 93 -0.776 10.990 -3.370 1.00 0.38 O ATOM 1423 CB LEU A 93 -3.614 9.870 -4.526 1.00 0.39 C ATOM 1424 CG LEU A 93 -4.590 8.706 -4.724 1.00 0.41 C ATOM 1425 CD1 LEU A 93 -5.230 8.780 -6.099 1.00 0.48 C ATOM 1426 CD2 LEU A 93 -3.891 7.366 -4.540 1.00 0.44 C ATOM 0 H LEU A 93 -4.866 10.139 -2.398 1.00 0.31 H new ATOM 0 HA LEU A 93 -2.356 9.015 -3.014 1.00 0.34 H new ATOM 0 HB2 LEU A 93 -4.154 10.803 -4.684 1.00 0.39 H new ATOM 0 HB3 LEU A 93 -2.846 9.811 -5.297 1.00 0.39 H new ATOM 0 HG LEU A 93 -5.370 8.789 -3.967 1.00 0.41 H new ATOM 0 HD11 LEU A 93 -5.921 7.946 -6.224 1.00 0.48 H new ATOM 0 HD12 LEU A 93 -5.774 9.720 -6.197 1.00 0.48 H new ATOM 0 HD13 LEU A 93 -4.455 8.728 -6.864 1.00 0.48 H new ATOM 0 HD21 LEU A 93 -4.608 6.558 -4.686 1.00 0.44 H new ATOM 0 HD22 LEU A 93 -3.086 7.273 -5.269 1.00 0.44 H new ATOM 0 HD23 LEU A 93 -3.478 7.306 -3.533 1.00 0.44 H new ATOM 1438 N ALA A 94 -2.514 12.289 -2.785 1.00 0.36 N ATOM 1439 CA ALA A 94 -1.716 13.503 -2.654 1.00 0.39 C ATOM 1440 C ALA A 94 -0.828 13.461 -1.409 1.00 0.37 C ATOM 1441 O ALA A 94 0.127 14.230 -1.287 1.00 0.44 O ATOM 1442 CB ALA A 94 -2.623 14.725 -2.618 1.00 0.43 C ATOM 0 H ALA A 94 -3.509 12.420 -2.604 1.00 0.36 H new ATOM 0 HA ALA A 94 -1.062 13.569 -3.523 1.00 0.39 H new ATOM 0 HB1 ALA A 94 -2.017 15.625 -2.520 1.00 0.43 H new ATOM 0 HB2 ALA A 94 -3.202 14.776 -3.540 1.00 0.43 H new ATOM 0 HB3 ALA A 94 -3.301 14.650 -1.768 1.00 0.43 H new ATOM 1448 N ALA A 95 -1.152 12.569 -0.480 1.00 0.33 N ATOM 1449 CA ALA A 95 -0.415 12.472 0.771 1.00 0.35 C ATOM 1450 C ALA A 95 0.531 11.273 0.781 1.00 0.33 C ATOM 1451 O ALA A 95 1.248 11.056 1.758 1.00 0.33 O ATOM 1452 CB ALA A 95 -1.382 12.386 1.942 1.00 0.40 C ATOM 0 H ALA A 95 -1.920 11.904 -0.571 1.00 0.33 H new ATOM 0 HA ALA A 95 0.192 13.372 0.868 1.00 0.35 H new ATOM 0 HB1 ALA A 95 -0.820 12.314 2.873 1.00 0.40 H new ATOM 0 HB2 ALA A 95 -2.007 13.279 1.964 1.00 0.40 H new ATOM 0 HB3 ALA A 95 -2.012 11.504 1.829 1.00 0.40 H new ATOM 1458 N LEU A 96 0.529 10.504 -0.305 1.00 0.35 N ATOM 1459 CA LEU A 96 1.385 9.317 -0.414 1.00 0.36 C ATOM 1460 C LEU A 96 2.858 9.625 -0.109 1.00 0.35 C ATOM 1461 O LEU A 96 3.447 8.966 0.744 1.00 0.34 O ATOM 1462 CB LEU A 96 1.252 8.665 -1.796 1.00 0.44 C ATOM 1463 CG LEU A 96 -0.032 7.870 -2.028 1.00 0.49 C ATOM 1464 CD1 LEU A 96 -0.155 7.489 -3.493 1.00 0.56 C ATOM 1465 CD2 LEU A 96 -0.059 6.622 -1.154 1.00 0.49 C ATOM 0 H LEU A 96 -0.054 10.678 -1.124 1.00 0.35 H new ATOM 0 HA LEU A 96 1.037 8.613 0.342 1.00 0.36 H new ATOM 0 HB2 LEU A 96 1.317 9.445 -2.554 1.00 0.44 H new ATOM 0 HB3 LEU A 96 2.103 8.000 -1.948 1.00 0.44 H new ATOM 0 HG LEU A 96 -0.880 8.498 -1.755 1.00 0.49 H new ATOM 0 HD11 LEU A 96 -1.074 6.923 -3.646 1.00 0.56 H new ATOM 0 HD12 LEU A 96 -0.179 8.392 -4.103 1.00 0.56 H new ATOM 0 HD13 LEU A 96 0.700 6.878 -3.783 1.00 0.56 H new ATOM 0 HD21 LEU A 96 -0.982 6.071 -1.335 1.00 0.49 H new ATOM 0 HD22 LEU A 96 0.795 5.990 -1.396 1.00 0.49 H new ATOM 0 HD23 LEU A 96 -0.010 6.912 -0.104 1.00 0.49 H new ATOM 1477 N PRO A 97 3.483 10.624 -0.778 1.00 0.37 N ATOM 1478 CA PRO A 97 4.887 10.974 -0.522 1.00 0.39 C ATOM 1479 C PRO A 97 5.130 11.391 0.929 1.00 0.35 C ATOM 1480 O PRO A 97 6.218 11.185 1.473 1.00 0.36 O ATOM 1481 CB PRO A 97 5.155 12.155 -1.468 1.00 0.46 C ATOM 1482 CG PRO A 97 3.806 12.673 -1.834 1.00 0.46 C ATOM 1483 CD PRO A 97 2.899 11.480 -1.829 1.00 0.42 C ATOM 0 HA PRO A 97 5.547 10.123 -0.691 1.00 0.39 H new ATOM 0 HB2 PRO A 97 5.753 12.924 -0.979 1.00 0.46 H new ATOM 0 HB3 PRO A 97 5.707 11.835 -2.351 1.00 0.46 H new ATOM 0 HG2 PRO A 97 3.468 13.425 -1.120 1.00 0.46 H new ATOM 0 HG3 PRO A 97 3.822 13.149 -2.815 1.00 0.46 H new ATOM 0 HD2 PRO A 97 1.870 11.756 -1.599 1.00 0.42 H new ATOM 0 HD3 PRO A 97 2.886 10.979 -2.797 1.00 0.42 H new ATOM 1491 N ARG A 98 4.100 11.951 1.557 1.00 0.34 N ATOM 1492 CA ARG A 98 4.213 12.454 2.918 1.00 0.35 C ATOM 1493 C ARG A 98 4.259 11.300 3.910 1.00 0.31 C ATOM 1494 O ARG A 98 5.110 11.257 4.800 1.00 0.33 O ATOM 1495 CB ARG A 98 3.032 13.372 3.247 1.00 0.44 C ATOM 1496 CG ARG A 98 3.181 14.115 4.565 1.00 1.33 C ATOM 1497 CD ARG A 98 1.913 14.866 4.927 1.00 1.71 C ATOM 1498 NE ARG A 98 0.855 13.973 5.402 1.00 2.37 N ATOM 1499 CZ ARG A 98 -0.391 14.366 5.672 1.00 3.24 C ATOM 1500 NH1 ARG A 98 -0.762 15.619 5.441 1.00 3.56 N ATOM 1501 NH2 ARG A 98 -1.270 13.504 6.167 1.00 4.22 N ATOM 0 H ARG A 98 3.176 12.067 1.141 1.00 0.34 H new ATOM 0 HA ARG A 98 5.139 13.024 2.996 1.00 0.35 H new ATOM 0 HB2 ARG A 98 2.913 14.098 2.443 1.00 0.44 H new ATOM 0 HB3 ARG A 98 2.119 12.777 3.277 1.00 0.44 H new ATOM 0 HG2 ARG A 98 3.425 13.407 5.357 1.00 1.33 H new ATOM 0 HG3 ARG A 98 4.013 14.816 4.497 1.00 1.33 H new ATOM 0 HD2 ARG A 98 2.137 15.603 5.699 1.00 1.71 H new ATOM 0 HD3 ARG A 98 1.557 15.416 4.055 1.00 1.71 H new ATOM 0 HE ARG A 98 1.085 12.988 5.535 1.00 2.37 H new ATOM 0 HH11 ARG A 98 -0.093 16.286 5.055 1.00 3.56 H new ATOM 0 HH12 ARG A 98 -1.716 15.915 5.649 1.00 3.56 H new ATOM 0 HH21 ARG A 98 -0.994 12.538 6.342 1.00 4.22 H new ATOM 0 HH22 ARG A 98 -2.222 13.808 6.372 1.00 4.22 H new ATOM 1515 N LYS A 99 3.355 10.350 3.732 1.00 0.31 N ATOM 1516 CA LYS A 99 3.240 9.233 4.651 1.00 0.36 C ATOM 1517 C LYS A 99 4.396 8.270 4.455 1.00 0.32 C ATOM 1518 O LYS A 99 4.892 7.676 5.410 1.00 0.32 O ATOM 1519 CB LYS A 99 1.908 8.513 4.463 1.00 0.47 C ATOM 1520 CG LYS A 99 0.706 9.364 4.835 1.00 0.86 C ATOM 1521 CD LYS A 99 -0.572 8.541 4.885 1.00 1.14 C ATOM 1522 CE LYS A 99 -0.549 7.534 6.028 1.00 1.52 C ATOM 1523 NZ LYS A 99 -0.452 8.201 7.354 1.00 1.44 N ATOM 0 H LYS A 99 2.690 10.332 2.958 1.00 0.31 H new ATOM 0 HA LYS A 99 3.277 9.620 5.669 1.00 0.36 H new ATOM 0 HB2 LYS A 99 1.815 8.201 3.423 1.00 0.47 H new ATOM 0 HB3 LYS A 99 1.904 7.607 5.069 1.00 0.47 H new ATOM 0 HG2 LYS A 99 0.877 9.830 5.805 1.00 0.86 H new ATOM 0 HG3 LYS A 99 0.592 10.170 4.110 1.00 0.86 H new ATOM 0 HD2 LYS A 99 -1.428 9.205 5.002 1.00 1.14 H new ATOM 0 HD3 LYS A 99 -0.704 8.015 3.939 1.00 1.14 H new ATOM 0 HE2 LYS A 99 -1.452 6.925 5.993 1.00 1.52 H new ATOM 0 HE3 LYS A 99 0.296 6.858 5.899 1.00 1.52 H new ATOM 0 HZ1 LYS A 99 -0.692 7.521 8.103 1.00 1.44 H new ATOM 0 HZ2 LYS A 99 0.518 8.547 7.498 1.00 1.44 H new ATOM 0 HZ3 LYS A 99 -1.114 9.002 7.389 1.00 1.44 H new ATOM 1537 N LEU A 100 4.822 8.141 3.207 1.00 0.33 N ATOM 1538 CA LEU A 100 5.934 7.276 2.851 1.00 0.35 C ATOM 1539 C LEU A 100 7.189 7.707 3.602 1.00 0.34 C ATOM 1540 O LEU A 100 7.838 6.897 4.265 1.00 0.35 O ATOM 1541 CB LEU A 100 6.181 7.343 1.340 1.00 0.42 C ATOM 1542 CG LEU A 100 7.038 6.216 0.759 1.00 0.82 C ATOM 1543 CD1 LEU A 100 6.245 4.920 0.686 1.00 0.62 C ATOM 1544 CD2 LEU A 100 7.564 6.600 -0.617 1.00 1.58 C ATOM 0 H LEU A 100 4.407 8.632 2.415 1.00 0.33 H new ATOM 0 HA LEU A 100 5.690 6.250 3.127 1.00 0.35 H new ATOM 0 HB2 LEU A 100 5.217 7.341 0.832 1.00 0.42 H new ATOM 0 HB3 LEU A 100 6.660 8.295 1.110 1.00 0.42 H new ATOM 0 HG LEU A 100 7.889 6.058 1.421 1.00 0.82 H new ATOM 0 HD11 LEU A 100 6.873 4.132 0.270 1.00 0.62 H new ATOM 0 HD12 LEU A 100 5.921 4.635 1.687 1.00 0.62 H new ATOM 0 HD13 LEU A 100 5.372 5.063 0.049 1.00 0.62 H new ATOM 0 HD21 LEU A 100 8.171 5.787 -1.014 1.00 1.58 H new ATOM 0 HD22 LEU A 100 6.726 6.788 -1.288 1.00 1.58 H new ATOM 0 HD23 LEU A 100 8.173 7.501 -0.536 1.00 1.58 H new ATOM 1556 N ALA A 101 7.499 8.999 3.521 1.00 0.33 N ATOM 1557 CA ALA A 101 8.681 9.551 4.173 1.00 0.36 C ATOM 1558 C ALA A 101 8.575 9.446 5.692 1.00 0.33 C ATOM 1559 O ALA A 101 9.581 9.298 6.393 1.00 0.35 O ATOM 1560 CB ALA A 101 8.876 10.998 3.756 1.00 0.41 C ATOM 0 H ALA A 101 6.945 9.684 3.008 1.00 0.33 H new ATOM 0 HA ALA A 101 9.547 8.968 3.858 1.00 0.36 H new ATOM 0 HB1 ALA A 101 9.761 11.402 4.248 1.00 0.41 H new ATOM 0 HB2 ALA A 101 9.005 11.051 2.675 1.00 0.41 H new ATOM 0 HB3 ALA A 101 8.002 11.581 4.046 1.00 0.41 H new ATOM 1566 N ALA A 102 7.349 9.518 6.194 1.00 0.32 N ATOM 1567 CA ALA A 102 7.104 9.415 7.624 1.00 0.33 C ATOM 1568 C ALA A 102 7.460 8.023 8.135 1.00 0.32 C ATOM 1569 O ALA A 102 8.083 7.876 9.187 1.00 0.35 O ATOM 1570 CB ALA A 102 5.654 9.744 7.937 1.00 0.35 C ATOM 0 H ALA A 102 6.509 9.647 5.630 1.00 0.32 H new ATOM 0 HA ALA A 102 7.742 10.137 8.134 1.00 0.33 H new ATOM 0 HB1 ALA A 102 5.486 9.663 9.011 1.00 0.35 H new ATOM 0 HB2 ALA A 102 5.433 10.760 7.611 1.00 0.35 H new ATOM 0 HB3 ALA A 102 5.001 9.045 7.414 1.00 0.35 H new ATOM 1576 N TRP A 103 7.079 7.002 7.372 1.00 0.30 N ATOM 1577 CA TRP A 103 7.357 5.623 7.751 1.00 0.32 C ATOM 1578 C TRP A 103 8.846 5.325 7.654 1.00 0.32 C ATOM 1579 O TRP A 103 9.370 4.507 8.413 1.00 0.34 O ATOM 1580 CB TRP A 103 6.571 4.643 6.875 1.00 0.33 C ATOM 1581 CG TRP A 103 5.090 4.708 7.088 1.00 0.34 C ATOM 1582 CD1 TRP A 103 4.431 4.829 8.280 1.00 0.36 C ATOM 1583 CD2 TRP A 103 4.080 4.636 6.078 1.00 0.35 C ATOM 1584 NE1 TRP A 103 3.076 4.853 8.068 1.00 0.40 N ATOM 1585 CE2 TRP A 103 2.835 4.735 6.724 1.00 0.39 C ATOM 1586 CE3 TRP A 103 4.111 4.504 4.689 1.00 0.37 C ATOM 1587 CZ2 TRP A 103 1.632 4.704 6.028 1.00 0.43 C ATOM 1588 CZ3 TRP A 103 2.915 4.473 3.998 1.00 0.41 C ATOM 1589 CH2 TRP A 103 1.691 4.575 4.669 1.00 0.44 C ATOM 0 H TRP A 103 6.578 7.105 6.490 1.00 0.30 H new ATOM 0 HA TRP A 103 7.040 5.495 8.786 1.00 0.32 H new ATOM 0 HB2 TRP A 103 6.789 4.849 5.827 1.00 0.33 H new ATOM 0 HB3 TRP A 103 6.915 3.629 7.079 1.00 0.33 H new ATOM 0 HD1 TRP A 103 4.908 4.896 9.247 1.00 0.36 H new ATOM 0 HE1 TRP A 103 2.364 4.944 8.793 1.00 0.40 H new ATOM 0 HE3 TRP A 103 5.052 4.428 4.164 1.00 0.37 H new ATOM 0 HZ2 TRP A 103 0.685 4.779 6.543 1.00 0.43 H new ATOM 0 HZ3 TRP A 103 2.925 4.368 2.923 1.00 0.41 H new ATOM 0 HH2 TRP A 103 0.773 4.551 4.100 1.00 0.44 H new ATOM 1600 N GLU A 104 9.523 5.992 6.723 1.00 0.34 N ATOM 1601 CA GLU A 104 10.963 5.829 6.567 1.00 0.38 C ATOM 1602 C GLU A 104 11.681 6.176 7.863 1.00 0.39 C ATOM 1603 O GLU A 104 12.472 5.386 8.384 1.00 0.41 O ATOM 1604 CB GLU A 104 11.499 6.716 5.439 1.00 0.42 C ATOM 1605 CG GLU A 104 10.916 6.407 4.071 1.00 0.45 C ATOM 1606 CD GLU A 104 11.638 7.141 2.963 1.00 0.51 C ATOM 1607 OE1 GLU A 104 12.709 6.668 2.531 1.00 0.52 O ATOM 1608 OE2 GLU A 104 11.146 8.198 2.520 1.00 0.62 O ATOM 0 H GLU A 104 9.098 6.648 6.068 1.00 0.34 H new ATOM 0 HA GLU A 104 11.152 4.786 6.315 1.00 0.38 H new ATOM 0 HB2 GLU A 104 11.292 7.758 5.682 1.00 0.42 H new ATOM 0 HB3 GLU A 104 12.583 6.609 5.392 1.00 0.42 H new ATOM 0 HG2 GLU A 104 10.970 5.334 3.889 1.00 0.45 H new ATOM 0 HG3 GLU A 104 9.861 6.680 4.058 1.00 0.45 H new ATOM 1615 N ASN A 105 11.365 7.350 8.392 1.00 0.41 N ATOM 1616 CA ASN A 105 11.998 7.838 9.611 1.00 0.47 C ATOM 1617 C ASN A 105 11.607 6.996 10.822 1.00 0.46 C ATOM 1618 O ASN A 105 12.391 6.834 11.756 1.00 0.50 O ATOM 1619 CB ASN A 105 11.619 9.303 9.856 1.00 0.53 C ATOM 1620 CG ASN A 105 12.086 10.237 8.750 1.00 1.24 C ATOM 1621 OD1 ASN A 105 13.184 9.892 8.091 1.00 2.01 O flip ATOM 1622 ND2 ASN A 105 11.460 11.266 8.488 1.00 1.70 N flip ATOM 0 H ASN A 105 10.672 7.984 7.995 1.00 0.41 H new ATOM 0 HA ASN A 105 13.077 7.759 9.476 1.00 0.47 H new ATOM 0 HB2 ASN A 105 10.536 9.380 9.954 1.00 0.53 H new ATOM 0 HB3 ASN A 105 12.049 9.629 10.803 1.00 0.53 H new ATOM 0 HD21 ASN A 105 10.619 11.500 9.016 1.00 1.70 H new ATOM 0 HD22 ASN A 105 11.783 11.884 7.743 1.00 1.70 H new ATOM 1629 N ALA A 106 10.398 6.452 10.799 1.00 0.45 N ATOM 1630 CA ALA A 106 9.886 5.702 11.938 1.00 0.48 C ATOM 1631 C ALA A 106 10.405 4.266 11.970 1.00 0.50 C ATOM 1632 O ALA A 106 10.810 3.770 13.021 1.00 0.66 O ATOM 1633 CB ALA A 106 8.366 5.708 11.925 1.00 0.52 C ATOM 0 H ALA A 106 9.756 6.515 10.009 1.00 0.45 H new ATOM 0 HA ALA A 106 10.248 6.196 12.840 1.00 0.48 H new ATOM 0 HB1 ALA A 106 7.993 5.145 12.780 1.00 0.52 H new ATOM 0 HB2 ALA A 106 8.006 6.735 11.982 1.00 0.52 H new ATOM 0 HB3 ALA A 106 8.008 5.248 11.004 1.00 0.52 H new ATOM 1639 N ARG A 107 10.390 3.597 10.827 1.00 0.43 N ATOM 1640 CA ARG A 107 10.709 2.172 10.787 1.00 0.47 C ATOM 1641 C ARG A 107 12.138 1.895 10.331 1.00 0.48 C ATOM 1642 O ARG A 107 12.541 0.737 10.229 1.00 0.56 O ATOM 1643 CB ARG A 107 9.725 1.429 9.879 1.00 0.51 C ATOM 1644 CG ARG A 107 8.285 1.443 10.379 1.00 0.59 C ATOM 1645 CD ARG A 107 8.129 0.703 11.706 1.00 0.72 C ATOM 1646 NE ARG A 107 8.561 -0.693 11.610 1.00 0.81 N ATOM 1647 CZ ARG A 107 7.798 -1.739 11.922 1.00 1.10 C ATOM 1648 NH1 ARG A 107 6.571 -1.561 12.397 1.00 1.35 N ATOM 1649 NH2 ARG A 107 8.276 -2.966 11.776 1.00 1.26 N ATOM 0 H ARG A 107 10.163 4.010 9.922 1.00 0.43 H new ATOM 0 HA ARG A 107 10.619 1.807 11.810 1.00 0.47 H new ATOM 0 HB2 ARG A 107 9.757 1.874 8.885 1.00 0.51 H new ATOM 0 HB3 ARG A 107 10.052 0.394 9.776 1.00 0.51 H new ATOM 0 HG2 ARG A 107 7.954 2.474 10.499 1.00 0.59 H new ATOM 0 HG3 ARG A 107 7.638 0.985 9.631 1.00 0.59 H new ATOM 0 HD2 ARG A 107 8.712 1.211 12.475 1.00 0.72 H new ATOM 0 HD3 ARG A 107 7.086 0.739 12.021 1.00 0.72 H new ATOM 0 HE ARG A 107 9.509 -0.876 11.282 1.00 0.81 H new ATOM 0 HH11 ARG A 107 6.206 -0.617 12.526 1.00 1.35 H new ATOM 0 HH12 ARG A 107 5.994 -2.368 12.633 1.00 1.35 H new ATOM 0 HH21 ARG A 107 9.224 -3.106 11.426 1.00 1.26 H new ATOM 0 HH22 ARG A 107 7.696 -3.771 12.013 1.00 1.26 H new ATOM 1663 N GLY A 108 12.904 2.946 10.067 1.00 0.45 N ATOM 1664 CA GLY A 108 14.278 2.756 9.631 1.00 0.49 C ATOM 1665 C GLY A 108 14.344 2.234 8.212 1.00 0.46 C ATOM 1666 O GLY A 108 15.045 1.261 7.918 1.00 0.50 O ATOM 0 H GLY A 108 12.605 3.918 10.145 1.00 0.45 H new ATOM 0 HA2 GLY A 108 14.816 3.702 9.697 1.00 0.49 H new ATOM 0 HA3 GLY A 108 14.780 2.057 10.300 1.00 0.49 H new ATOM 1670 N VAL A 109 13.619 2.900 7.332 1.00 0.42 N ATOM 1671 CA VAL A 109 13.489 2.470 5.952 1.00 0.41 C ATOM 1672 C VAL A 109 13.958 3.588 5.029 1.00 0.43 C ATOM 1673 O VAL A 109 13.849 4.761 5.378 1.00 0.46 O ATOM 1674 CB VAL A 109 12.020 2.089 5.619 1.00 0.39 C ATOM 1675 CG1 VAL A 109 11.866 1.666 4.166 1.00 0.42 C ATOM 1676 CG2 VAL A 109 11.518 0.985 6.540 1.00 0.43 C ATOM 0 H VAL A 109 13.105 3.753 7.553 1.00 0.42 H new ATOM 0 HA VAL A 109 14.107 1.585 5.804 1.00 0.41 H new ATOM 0 HB VAL A 109 11.414 2.981 5.779 1.00 0.39 H new ATOM 0 HG11 VAL A 109 10.825 1.407 3.971 1.00 0.42 H new ATOM 0 HG12 VAL A 109 12.164 2.487 3.514 1.00 0.42 H new ATOM 0 HG13 VAL A 109 12.498 0.800 3.970 1.00 0.42 H new ATOM 0 HG21 VAL A 109 10.487 0.738 6.284 1.00 0.43 H new ATOM 0 HG22 VAL A 109 12.143 0.100 6.421 1.00 0.43 H new ATOM 0 HG23 VAL A 109 11.564 1.325 7.574 1.00 0.43 H new ATOM 1686 N ASP A 110 14.522 3.233 3.888 1.00 0.44 N ATOM 1687 CA ASP A 110 14.887 4.225 2.889 1.00 0.49 C ATOM 1688 C ASP A 110 14.511 3.716 1.506 1.00 0.54 C ATOM 1689 O ASP A 110 15.179 2.840 0.953 1.00 0.57 O ATOM 1690 CB ASP A 110 16.384 4.541 2.944 1.00 0.53 C ATOM 1691 CG ASP A 110 16.737 5.790 2.157 1.00 0.62 C ATOM 1692 OD1 ASP A 110 16.668 5.761 0.910 1.00 0.79 O ATOM 1693 OD2 ASP A 110 17.086 6.812 2.785 1.00 0.84 O ATOM 0 H ASP A 110 14.737 2.270 3.630 1.00 0.44 H new ATOM 0 HA ASP A 110 14.342 5.145 3.101 1.00 0.49 H new ATOM 0 HB2 ASP A 110 16.688 4.670 3.983 1.00 0.53 H new ATOM 0 HB3 ASP A 110 16.947 3.695 2.550 1.00 0.53 H new ATOM 1698 N PHE A 111 13.432 4.256 0.956 1.00 0.60 N ATOM 1699 CA PHE A 111 12.922 3.808 -0.336 1.00 0.68 C ATOM 1700 C PHE A 111 13.855 4.190 -1.477 1.00 0.77 C ATOM 1701 O PHE A 111 13.837 3.561 -2.536 1.00 0.90 O ATOM 1702 CB PHE A 111 11.516 4.357 -0.579 1.00 0.73 C ATOM 1703 CG PHE A 111 10.470 3.674 0.257 1.00 0.66 C ATOM 1704 CD1 PHE A 111 10.211 4.104 1.548 1.00 0.62 C ATOM 1705 CD2 PHE A 111 9.738 2.616 -0.251 1.00 0.72 C ATOM 1706 CE1 PHE A 111 9.243 3.489 2.316 1.00 0.61 C ATOM 1707 CE2 PHE A 111 8.766 1.998 0.510 1.00 0.71 C ATOM 1708 CZ PHE A 111 8.559 2.390 1.810 1.00 0.62 C ATOM 0 H PHE A 111 12.891 5.007 1.384 1.00 0.60 H new ATOM 0 HA PHE A 111 12.871 2.720 -0.309 1.00 0.68 H new ATOM 0 HB2 PHE A 111 11.506 5.425 -0.363 1.00 0.73 H new ATOM 0 HB3 PHE A 111 11.264 4.242 -1.633 1.00 0.73 H new ATOM 0 HD1 PHE A 111 10.773 4.930 1.958 1.00 0.62 H new ATOM 0 HD2 PHE A 111 9.929 2.269 -1.256 1.00 0.72 H new ATOM 0 HE1 PHE A 111 9.018 3.860 3.305 1.00 0.61 H new ATOM 0 HE2 PHE A 111 8.168 1.206 0.083 1.00 0.71 H new ATOM 0 HZ PHE A 111 7.867 1.846 2.437 1.00 0.62 H new ATOM 1718 N GLY A 112 14.682 5.202 -1.258 1.00 0.76 N ATOM 1719 CA GLY A 112 15.667 5.571 -2.253 1.00 0.84 C ATOM 1720 C GLY A 112 16.839 4.611 -2.248 1.00 0.79 C ATOM 1721 O GLY A 112 17.597 4.526 -3.211 1.00 0.89 O ATOM 0 H GLY A 112 14.689 5.772 -0.412 1.00 0.76 H new ATOM 0 HA2 GLY A 112 15.205 5.579 -3.240 1.00 0.84 H new ATOM 0 HA3 GLY A 112 16.022 6.583 -2.059 1.00 0.84 H new ATOM 1725 N SER A 113 16.982 3.886 -1.150 1.00 0.71 N ATOM 1726 CA SER A 113 18.044 2.909 -1.002 1.00 0.70 C ATOM 1727 C SER A 113 17.529 1.505 -1.326 1.00 0.68 C ATOM 1728 O SER A 113 18.309 0.591 -1.600 1.00 0.72 O ATOM 1729 CB SER A 113 18.589 2.966 0.429 1.00 0.71 C ATOM 1730 OG SER A 113 19.776 2.207 0.572 1.00 1.38 O ATOM 0 H SER A 113 16.366 3.959 -0.340 1.00 0.71 H new ATOM 0 HA SER A 113 18.847 3.142 -1.701 1.00 0.70 H new ATOM 0 HB2 SER A 113 18.786 4.003 0.702 1.00 0.71 H new ATOM 0 HB3 SER A 113 17.834 2.593 1.120 1.00 0.71 H new ATOM 0 HG SER A 113 20.164 2.037 -0.312 1.00 1.38 H new ATOM 1736 N ARG A 114 16.201 1.357 -1.295 1.00 0.68 N ATOM 1737 CA ARG A 114 15.524 0.086 -1.574 1.00 0.75 C ATOM 1738 C ARG A 114 15.921 -0.997 -0.576 1.00 0.68 C ATOM 1739 O ARG A 114 15.837 -2.190 -0.865 1.00 0.72 O ATOM 1740 CB ARG A 114 15.785 -0.383 -3.008 1.00 0.91 C ATOM 1741 CG ARG A 114 15.080 0.468 -4.050 1.00 1.10 C ATOM 1742 CD ARG A 114 15.219 -0.121 -5.444 1.00 1.31 C ATOM 1743 NE ARG A 114 16.600 -0.115 -5.923 1.00 1.48 N ATOM 1744 CZ ARG A 114 16.975 -0.605 -7.104 1.00 1.92 C ATOM 1745 NH1 ARG A 114 16.074 -1.131 -7.928 1.00 2.13 N ATOM 1746 NH2 ARG A 114 18.252 -0.562 -7.464 1.00 2.70 N ATOM 0 H ARG A 114 15.561 2.120 -1.074 1.00 0.68 H new ATOM 0 HA ARG A 114 14.455 0.266 -1.464 1.00 0.75 H new ATOM 0 HB2 ARG A 114 16.858 -0.367 -3.200 1.00 0.91 H new ATOM 0 HB3 ARG A 114 15.458 -1.418 -3.111 1.00 0.91 H new ATOM 0 HG2 ARG A 114 14.024 0.555 -3.795 1.00 1.10 H new ATOM 0 HG3 ARG A 114 15.495 1.476 -4.038 1.00 1.10 H new ATOM 0 HD2 ARG A 114 14.844 -1.145 -5.441 1.00 1.31 H new ATOM 0 HD3 ARG A 114 14.596 0.444 -6.137 1.00 1.31 H new ATOM 0 HE ARG A 114 17.317 0.287 -5.319 1.00 1.48 H new ATOM 0 HH11 ARG A 114 15.091 -1.161 -7.657 1.00 2.13 H new ATOM 0 HH12 ARG A 114 16.366 -1.505 -8.831 1.00 2.13 H new ATOM 0 HH21 ARG A 114 18.945 -0.154 -6.837 1.00 2.70 H new ATOM 0 HH22 ARG A 114 18.540 -0.937 -8.368 1.00 2.70 H new ATOM 1760 N THR A 115 16.336 -0.565 0.604 1.00 0.60 N ATOM 1761 CA THR A 115 16.702 -1.469 1.679 1.00 0.57 C ATOM 1762 C THR A 115 16.117 -0.959 2.989 1.00 0.52 C ATOM 1763 O THR A 115 15.604 0.164 3.045 1.00 0.53 O ATOM 1764 CB THR A 115 18.233 -1.603 1.807 1.00 0.63 C ATOM 1765 OG1 THR A 115 18.845 -0.309 1.739 1.00 0.80 O ATOM 1766 CG2 THR A 115 18.801 -2.497 0.712 1.00 0.78 C ATOM 0 H THR A 115 16.428 0.423 0.842 1.00 0.60 H new ATOM 0 HA THR A 115 16.298 -2.455 1.449 1.00 0.57 H new ATOM 0 HB THR A 115 18.452 -2.061 2.772 1.00 0.63 H new ATOM 0 HG1 THR A 115 19.817 -0.402 1.822 1.00 0.80 H new ATOM 0 HG21 THR A 115 19.882 -2.572 0.828 1.00 0.78 H new ATOM 0 HG22 THR A 115 18.358 -3.490 0.787 1.00 0.78 H new ATOM 0 HG23 THR A 115 18.570 -2.069 -0.263 1.00 0.78 H new ATOM 1774 N GLN A 116 16.184 -1.768 4.035 1.00 0.50 N ATOM 1775 CA GLN A 116 15.599 -1.392 5.309 1.00 0.51 C ATOM 1776 C GLN A 116 16.402 -1.977 6.464 1.00 0.54 C ATOM 1777 O GLN A 116 17.075 -2.995 6.313 1.00 0.55 O ATOM 1778 CB GLN A 116 14.143 -1.874 5.375 1.00 0.50 C ATOM 1779 CG GLN A 116 13.994 -3.390 5.431 1.00 0.45 C ATOM 1780 CD GLN A 116 12.547 -3.842 5.363 1.00 0.55 C ATOM 1781 OE1 GLN A 116 11.714 -3.206 4.720 1.00 1.21 O ATOM 1782 NE2 GLN A 116 12.234 -4.935 6.039 1.00 1.00 N ATOM 0 H GLN A 116 16.635 -2.683 4.026 1.00 0.50 H new ATOM 0 HA GLN A 116 15.620 -0.306 5.396 1.00 0.51 H new ATOM 0 HB2 GLN A 116 13.667 -1.440 6.254 1.00 0.50 H new ATOM 0 HB3 GLN A 116 13.607 -1.498 4.504 1.00 0.50 H new ATOM 0 HG2 GLN A 116 14.548 -3.836 4.605 1.00 0.45 H new ATOM 0 HG3 GLN A 116 14.443 -3.761 6.353 1.00 0.45 H new ATOM 0 HE21 GLN A 116 12.953 -5.436 6.561 1.00 1.00 H new ATOM 0 HE22 GLN A 116 11.273 -5.277 6.039 1.00 1.00 H new ATOM 1791 N ALA A 117 16.351 -1.308 7.608 1.00 0.62 N ATOM 1792 CA ALA A 117 16.995 -1.807 8.815 1.00 0.68 C ATOM 1793 C ALA A 117 16.046 -2.719 9.574 1.00 0.68 C ATOM 1794 O ALA A 117 16.439 -3.402 10.519 1.00 0.84 O ATOM 1795 CB ALA A 117 17.432 -0.651 9.700 1.00 0.83 C ATOM 0 H ALA A 117 15.869 -0.417 7.725 1.00 0.62 H new ATOM 0 HA ALA A 117 17.879 -2.377 8.528 1.00 0.68 H new ATOM 0 HB1 ALA A 117 17.911 -1.041 10.598 1.00 0.83 H new ATOM 0 HB2 ALA A 117 18.137 -0.023 9.156 1.00 0.83 H new ATOM 0 HB3 ALA A 117 16.561 -0.059 9.982 1.00 0.83 H new ATOM 1801 N ASP A 118 14.794 -2.716 9.144 1.00 0.69 N ATOM 1802 CA ASP A 118 13.752 -3.514 9.774 1.00 0.73 C ATOM 1803 C ASP A 118 13.812 -4.949 9.263 1.00 0.67 C ATOM 1804 O ASP A 118 14.270 -5.205 8.146 1.00 0.67 O ATOM 1805 CB ASP A 118 12.377 -2.916 9.466 1.00 0.81 C ATOM 1806 CG ASP A 118 11.323 -3.318 10.477 1.00 0.81 C ATOM 1807 OD1 ASP A 118 10.953 -4.507 10.524 1.00 1.07 O ATOM 1808 OD2 ASP A 118 10.856 -2.441 11.232 1.00 1.04 O ATOM 0 H ASP A 118 14.471 -2.162 8.351 1.00 0.69 H new ATOM 0 HA ASP A 118 13.911 -3.511 10.852 1.00 0.73 H new ATOM 0 HB2 ASP A 118 12.455 -1.829 9.442 1.00 0.81 H new ATOM 0 HB3 ASP A 118 12.061 -3.235 8.473 1.00 0.81 H new ATOM 1813 N ALA A 119 13.352 -5.878 10.087 1.00 0.72 N ATOM 1814 CA ALA A 119 13.335 -7.288 9.726 1.00 0.73 C ATOM 1815 C ALA A 119 12.172 -7.587 8.788 1.00 0.66 C ATOM 1816 O ALA A 119 12.293 -8.400 7.873 1.00 0.73 O ATOM 1817 CB ALA A 119 13.245 -8.148 10.979 1.00 0.91 C ATOM 0 H ALA A 119 12.983 -5.679 11.017 1.00 0.72 H new ATOM 0 HA ALA A 119 14.262 -7.525 9.205 1.00 0.73 H new ATOM 0 HB1 ALA A 119 13.233 -9.201 10.698 1.00 0.91 H new ATOM 0 HB2 ALA A 119 14.107 -7.953 11.617 1.00 0.91 H new ATOM 0 HB3 ALA A 119 12.331 -7.907 11.521 1.00 0.91 H new ATOM 1823 N LEU A 120 11.048 -6.925 9.030 1.00 0.69 N ATOM 1824 CA LEU A 120 9.849 -7.092 8.221 1.00 0.63 C ATOM 1825 C LEU A 120 8.843 -6.016 8.608 1.00 0.57 C ATOM 1826 O LEU A 120 8.499 -5.889 9.785 1.00 0.65 O ATOM 1827 CB LEU A 120 9.244 -8.484 8.440 1.00 0.73 C ATOM 1828 CG LEU A 120 8.032 -8.822 7.574 1.00 0.69 C ATOM 1829 CD1 LEU A 120 8.424 -8.906 6.109 1.00 0.89 C ATOM 1830 CD2 LEU A 120 7.400 -10.125 8.035 1.00 1.00 C ATOM 0 H LEU A 120 10.942 -6.257 9.793 1.00 0.69 H new ATOM 0 HA LEU A 120 10.105 -6.996 7.166 1.00 0.63 H new ATOM 0 HB2 LEU A 120 10.018 -9.229 8.257 1.00 0.73 H new ATOM 0 HB3 LEU A 120 8.956 -8.574 9.487 1.00 0.73 H new ATOM 0 HG LEU A 120 7.298 -8.024 7.683 1.00 0.69 H new ATOM 0 HD11 LEU A 120 7.546 -9.148 5.511 1.00 0.89 H new ATOM 0 HD12 LEU A 120 8.831 -7.948 5.786 1.00 0.89 H new ATOM 0 HD13 LEU A 120 9.177 -9.683 5.978 1.00 0.89 H new ATOM 0 HD21 LEU A 120 6.538 -10.353 7.409 1.00 1.00 H new ATOM 0 HD22 LEU A 120 8.129 -10.931 7.956 1.00 1.00 H new ATOM 0 HD23 LEU A 120 7.079 -10.027 9.072 1.00 1.00 H new ATOM 1842 N VAL A 121 8.351 -5.257 7.640 1.00 0.50 N ATOM 1843 CA VAL A 121 7.479 -4.141 7.958 1.00 0.47 C ATOM 1844 C VAL A 121 6.080 -4.345 7.375 1.00 0.39 C ATOM 1845 O VAL A 121 5.813 -4.075 6.203 1.00 0.33 O ATOM 1846 CB VAL A 121 8.100 -2.787 7.511 1.00 0.49 C ATOM 1847 CG1 VAL A 121 8.494 -2.802 6.042 1.00 0.45 C ATOM 1848 CG2 VAL A 121 7.154 -1.631 7.809 1.00 0.50 C ATOM 0 H VAL A 121 8.537 -5.391 6.646 1.00 0.50 H new ATOM 0 HA VAL A 121 7.375 -4.102 9.042 1.00 0.47 H new ATOM 0 HB VAL A 121 9.012 -2.641 8.089 1.00 0.49 H new ATOM 0 HG11 VAL A 121 8.923 -1.838 5.771 1.00 0.45 H new ATOM 0 HG12 VAL A 121 9.230 -3.588 5.871 1.00 0.45 H new ATOM 0 HG13 VAL A 121 7.612 -2.991 5.431 1.00 0.45 H new ATOM 0 HG21 VAL A 121 7.611 -0.695 7.487 1.00 0.50 H new ATOM 0 HG22 VAL A 121 6.217 -1.780 7.273 1.00 0.50 H new ATOM 0 HG23 VAL A 121 6.957 -1.589 8.880 1.00 0.50 H new ATOM 1858 N LEU A 122 5.195 -4.872 8.206 1.00 0.41 N ATOM 1859 CA LEU A 122 3.806 -5.067 7.831 1.00 0.39 C ATOM 1860 C LEU A 122 2.941 -4.068 8.591 1.00 0.42 C ATOM 1861 O LEU A 122 2.715 -4.221 9.792 1.00 0.73 O ATOM 1862 CB LEU A 122 3.362 -6.501 8.152 1.00 0.50 C ATOM 1863 CG LEU A 122 4.320 -7.613 7.695 1.00 0.51 C ATOM 1864 CD1 LEU A 122 3.761 -8.978 8.057 1.00 0.66 C ATOM 1865 CD2 LEU A 122 4.585 -7.533 6.199 1.00 0.46 C ATOM 0 H LEU A 122 5.419 -5.175 9.154 1.00 0.41 H new ATOM 0 HA LEU A 122 3.695 -4.907 6.759 1.00 0.39 H new ATOM 0 HB2 LEU A 122 3.223 -6.586 9.230 1.00 0.50 H new ATOM 0 HB3 LEU A 122 2.389 -6.672 7.691 1.00 0.50 H new ATOM 0 HG LEU A 122 5.268 -7.471 8.214 1.00 0.51 H new ATOM 0 HD11 LEU A 122 4.452 -9.753 7.726 1.00 0.66 H new ATOM 0 HD12 LEU A 122 3.632 -9.044 9.137 1.00 0.66 H new ATOM 0 HD13 LEU A 122 2.797 -9.118 7.568 1.00 0.66 H new ATOM 0 HD21 LEU A 122 5.266 -8.332 5.907 1.00 0.46 H new ATOM 0 HD22 LEU A 122 3.646 -7.640 5.657 1.00 0.46 H new ATOM 0 HD23 LEU A 122 5.034 -6.569 5.960 1.00 0.46 H new ATOM 1877 N LEU A 123 2.474 -3.041 7.898 1.00 0.24 N ATOM 1878 CA LEU A 123 1.742 -1.961 8.547 1.00 0.24 C ATOM 1879 C LEU A 123 0.237 -2.200 8.474 1.00 0.24 C ATOM 1880 O LEU A 123 -0.353 -2.220 7.389 1.00 0.25 O ATOM 1881 CB LEU A 123 2.085 -0.611 7.909 1.00 0.26 C ATOM 1882 CG LEU A 123 3.572 -0.247 7.877 1.00 0.29 C ATOM 1883 CD1 LEU A 123 3.775 1.093 7.189 1.00 0.35 C ATOM 1884 CD2 LEU A 123 4.160 -0.207 9.280 1.00 0.37 C ATOM 0 H LEU A 123 2.587 -2.931 6.890 1.00 0.24 H new ATOM 0 HA LEU A 123 2.042 -1.942 9.595 1.00 0.24 H new ATOM 0 HB2 LEU A 123 1.707 -0.607 6.886 1.00 0.26 H new ATOM 0 HB3 LEU A 123 1.551 0.171 8.449 1.00 0.26 H new ATOM 0 HG LEU A 123 4.092 -1.020 7.312 1.00 0.29 H new ATOM 0 HD11 LEU A 123 4.837 1.337 7.174 1.00 0.35 H new ATOM 0 HD12 LEU A 123 3.401 1.037 6.167 1.00 0.35 H new ATOM 0 HD13 LEU A 123 3.232 1.867 7.732 1.00 0.35 H new ATOM 0 HD21 LEU A 123 5.217 0.054 9.224 1.00 0.37 H new ATOM 0 HD22 LEU A 123 3.633 0.539 9.874 1.00 0.37 H new ATOM 0 HD23 LEU A 123 4.052 -1.186 9.748 1.00 0.37 H new ATOM 1896 N GLY A 124 -0.370 -2.397 9.632 1.00 0.27 N ATOM 1897 CA GLY A 124 -1.803 -2.580 9.702 1.00 0.28 C ATOM 1898 C GLY A 124 -2.512 -1.373 10.275 1.00 0.30 C ATOM 1899 O GLY A 124 -1.872 -0.463 10.806 1.00 0.34 O ATOM 0 H GLY A 124 0.109 -2.434 10.532 1.00 0.27 H new ATOM 0 HA2 GLY A 124 -2.189 -2.785 8.704 1.00 0.28 H new ATOM 0 HA3 GLY A 124 -2.025 -3.453 10.315 1.00 0.28 H new ATOM 1903 N GLY A 125 -3.835 -1.363 10.161 1.00 0.31 N ATOM 1904 CA GLY A 125 -4.634 -0.309 10.758 1.00 0.36 C ATOM 1905 C GLY A 125 -4.461 1.039 10.089 1.00 0.35 C ATOM 1906 O GLY A 125 -4.589 2.073 10.740 1.00 0.40 O ATOM 0 H GLY A 125 -4.372 -2.072 9.662 1.00 0.31 H new ATOM 0 HA2 GLY A 125 -5.685 -0.594 10.715 1.00 0.36 H new ATOM 0 HA3 GLY A 125 -4.371 -0.218 11.812 1.00 0.36 H new ATOM 1910 N LEU A 126 -4.150 1.040 8.801 1.00 0.31 N ATOM 1911 CA LEU A 126 -4.029 2.292 8.067 1.00 0.31 C ATOM 1912 C LEU A 126 -5.394 2.906 7.783 1.00 0.33 C ATOM 1913 O LEU A 126 -6.385 2.200 7.569 1.00 0.35 O ATOM 1914 CB LEU A 126 -3.265 2.110 6.751 1.00 0.31 C ATOM 1915 CG LEU A 126 -1.740 2.219 6.843 1.00 0.34 C ATOM 1916 CD1 LEU A 126 -1.154 1.048 7.611 1.00 0.38 C ATOM 1917 CD2 LEU A 126 -1.136 2.306 5.451 1.00 0.39 C ATOM 0 H LEU A 126 -3.979 0.200 8.248 1.00 0.31 H new ATOM 0 HA LEU A 126 -3.462 2.970 8.705 1.00 0.31 H new ATOM 0 HB2 LEU A 126 -3.516 1.132 6.340 1.00 0.31 H new ATOM 0 HB3 LEU A 126 -3.621 2.856 6.040 1.00 0.31 H new ATOM 0 HG LEU A 126 -1.494 3.130 7.388 1.00 0.34 H new ATOM 0 HD11 LEU A 126 -0.070 1.151 7.661 1.00 0.38 H new ATOM 0 HD12 LEU A 126 -1.564 1.034 8.621 1.00 0.38 H new ATOM 0 HD13 LEU A 126 -1.407 0.117 7.104 1.00 0.38 H new ATOM 0 HD21 LEU A 126 -0.052 2.383 5.529 1.00 0.39 H new ATOM 0 HD22 LEU A 126 -1.396 1.412 4.885 1.00 0.39 H new ATOM 0 HD23 LEU A 126 -1.526 3.186 4.939 1.00 0.39 H new ATOM 1929 N ASP A 127 -5.420 4.230 7.785 1.00 0.35 N ATOM 1930 CA ASP A 127 -6.623 4.993 7.479 1.00 0.41 C ATOM 1931 C ASP A 127 -6.341 5.883 6.279 1.00 0.39 C ATOM 1932 O ASP A 127 -5.199 5.976 5.827 1.00 0.45 O ATOM 1933 CB ASP A 127 -7.044 5.871 8.670 1.00 0.53 C ATOM 1934 CG ASP A 127 -7.502 5.076 9.876 1.00 0.82 C ATOM 1935 OD1 ASP A 127 -8.658 4.604 9.879 1.00 1.02 O ATOM 1936 OD2 ASP A 127 -6.698 4.891 10.814 1.00 1.11 O ATOM 0 H ASP A 127 -4.607 4.808 7.999 1.00 0.35 H new ATOM 0 HA ASP A 127 -7.434 4.297 7.265 1.00 0.41 H new ATOM 0 HB2 ASP A 127 -6.205 6.503 8.959 1.00 0.53 H new ATOM 0 HB3 ASP A 127 -7.849 6.534 8.355 1.00 0.53 H new ATOM 1941 N PHE A 128 -7.366 6.549 5.780 1.00 0.39 N ATOM 1942 CA PHE A 128 -7.205 7.472 4.666 1.00 0.42 C ATOM 1943 C PHE A 128 -7.262 8.897 5.188 1.00 0.49 C ATOM 1944 O PHE A 128 -7.874 9.781 4.586 1.00 0.61 O ATOM 1945 CB PHE A 128 -8.279 7.231 3.600 1.00 0.48 C ATOM 1946 CG PHE A 128 -8.149 5.889 2.929 1.00 0.45 C ATOM 1947 CD1 PHE A 128 -8.685 4.749 3.510 1.00 0.55 C ATOM 1948 CD2 PHE A 128 -7.504 5.773 1.708 1.00 0.49 C ATOM 1949 CE1 PHE A 128 -8.576 3.519 2.885 1.00 0.61 C ATOM 1950 CE2 PHE A 128 -7.393 4.548 1.080 1.00 0.55 C ATOM 1951 CZ PHE A 128 -7.892 3.401 1.712 1.00 0.58 C ATOM 0 H PHE A 128 -8.322 6.469 6.128 1.00 0.39 H new ATOM 0 HA PHE A 128 -6.237 7.304 4.195 1.00 0.42 H new ATOM 0 HB2 PHE A 128 -9.264 7.307 4.060 1.00 0.48 H new ATOM 0 HB3 PHE A 128 -8.218 8.016 2.846 1.00 0.48 H new ATOM 0 HD1 PHE A 128 -9.193 4.822 4.460 1.00 0.55 H new ATOM 0 HD2 PHE A 128 -7.083 6.651 1.242 1.00 0.49 H new ATOM 0 HE1 PHE A 128 -9.035 2.648 3.329 1.00 0.61 H new ATOM 0 HE2 PHE A 128 -6.925 4.475 0.109 1.00 0.55 H new ATOM 0 HZ PHE A 128 -7.735 2.428 1.271 1.00 0.58 H new ATOM 1961 N GLU A 129 -6.613 9.097 6.323 1.00 0.52 N ATOM 1962 CA GLU A 129 -6.607 10.381 6.991 1.00 0.63 C ATOM 1963 C GLU A 129 -5.418 11.202 6.510 1.00 0.64 C ATOM 1964 O GLU A 129 -4.276 10.953 6.900 1.00 0.80 O ATOM 1965 CB GLU A 129 -6.525 10.169 8.505 1.00 0.83 C ATOM 1966 CG GLU A 129 -6.879 11.396 9.324 1.00 1.58 C ATOM 1967 CD GLU A 129 -8.309 11.841 9.106 1.00 2.21 C ATOM 1968 OE1 GLU A 129 -9.231 11.061 9.418 1.00 3.00 O ATOM 1969 OE2 GLU A 129 -8.519 12.969 8.616 1.00 2.54 O ATOM 0 H GLU A 129 -6.078 8.374 6.804 1.00 0.52 H new ATOM 0 HA GLU A 129 -7.525 10.919 6.757 1.00 0.63 H new ATOM 0 HB2 GLU A 129 -7.194 9.355 8.783 1.00 0.83 H new ATOM 0 HB3 GLU A 129 -5.514 9.853 8.762 1.00 0.83 H new ATOM 0 HG2 GLU A 129 -6.725 11.181 10.381 1.00 1.58 H new ATOM 0 HG3 GLU A 129 -6.204 12.211 9.063 1.00 1.58 H new ATOM 1976 N ALA A 130 -5.687 12.179 5.665 1.00 0.73 N ATOM 1977 CA ALA A 130 -4.636 13.014 5.117 1.00 0.92 C ATOM 1978 C ALA A 130 -4.571 14.338 5.859 1.00 1.47 C ATOM 1979 O ALA A 130 -5.414 15.219 5.591 1.00 1.77 O ATOM 1980 CB ALA A 130 -4.860 13.240 3.633 1.00 0.97 C ATOM 1981 OXT ALA A 130 -3.680 14.491 6.714 1.00 2.26 O ATOM 0 H ALA A 130 -6.626 12.414 5.343 1.00 0.73 H new ATOM 0 HA ALA A 130 -3.682 12.503 5.245 1.00 0.92 H new ATOM 0 HB1 ALA A 130 -4.063 13.869 3.236 1.00 0.97 H new ATOM 0 HB2 ALA A 130 -4.858 12.281 3.115 1.00 0.97 H new ATOM 0 HB3 ALA A 130 -5.820 13.733 3.481 1.00 0.97 H new TER 1987 ALA A 130