USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 669 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 58 HIS : no HD1:sc= -0.915 X(o=-5.2,f=-4.8) USER MOD Set 1.2: A 67 HIS : no HD1:sc= -4.27! C(o=-5.2!,f=-5.6!) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 143:sc= 1.33 (180deg=0.652) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 55 SER OG : rot 100:sc= 1.03 USER MOD Single : A 64 SER OG : rot 101:sc= 1.27 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 163:sc= 0.658 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= 0.014 K(o=0.014,f=-4.2!) USER MOD Single : A 86 HIS : no HD1:sc= -0.952 K(o=-0.95,f=-3.3!) USER MOD Single : A 90 HIS : no HE2:sc=-0.00769 K(o=-0.0077,f=-2!) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 107 GLN : amide:sc= 0.0814 K(o=0.081,f=-4.3!) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0.0923 USER MOD Single : A 113 GLN : amide:sc= -0.128 K(o=-0.13,f=-5.6!) USER MOD Single : A 117 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 31 -1.526 12.411 8.891 1.00 1.35 N ATOM 2 CA PRO A 31 -0.654 12.022 7.789 1.00 1.24 C ATOM 3 C PRO A 31 -1.299 10.901 6.968 1.00 1.10 C ATOM 4 O PRO A 31 -1.933 9.995 7.525 1.00 1.05 O ATOM 5 CB PRO A 31 0.662 11.563 8.431 1.00 1.37 C ATOM 6 CG PRO A 31 0.655 12.270 9.785 1.00 1.65 C ATOM 7 CD PRO A 31 -0.827 12.252 10.157 1.00 1.49 C ATOM 0 HA PRO A 31 -0.479 12.848 7.099 1.00 1.24 H new ATOM 0 HB2 PRO A 31 0.699 10.479 8.543 1.00 1.37 H new ATOM 0 HB3 PRO A 31 1.525 11.851 7.831 1.00 1.37 H new ATOM 0 HG2 PRO A 31 1.265 11.745 10.520 1.00 1.65 H new ATOM 0 HG3 PRO A 31 1.044 13.286 9.715 1.00 1.65 H new ATOM 0 HD2 PRO A 31 -1.101 11.318 10.646 1.00 1.49 H new ATOM 0 HD3 PRO A 31 -1.072 13.058 10.849 1.00 1.49 H new ATOM 15 N VAL A 32 -1.137 10.932 5.648 1.00 1.10 N ATOM 16 CA VAL A 32 -1.870 10.007 4.759 1.00 1.11 C ATOM 17 C VAL A 32 -1.364 8.558 4.834 1.00 0.91 C ATOM 18 O VAL A 32 -2.056 7.631 4.415 1.00 0.88 O ATOM 19 CB VAL A 32 -1.952 10.520 3.311 1.00 1.37 C ATOM 20 CG1 VAL A 32 -2.559 11.927 3.261 1.00 2.73 C ATOM 21 CG2 VAL A 32 -0.595 10.524 2.619 1.00 1.83 C ATOM 0 H VAL A 32 -0.513 11.578 5.164 1.00 1.10 H new ATOM 0 HA VAL A 32 -2.890 9.985 5.143 1.00 1.11 H new ATOM 0 HB VAL A 32 -2.600 9.827 2.774 1.00 1.37 H new ATOM 0 HG11 VAL A 32 -2.606 12.267 2.226 1.00 2.73 H new ATOM 0 HG12 VAL A 32 -3.564 11.905 3.681 1.00 2.73 H new ATOM 0 HG13 VAL A 32 -1.939 12.612 3.840 1.00 2.73 H new ATOM 0 HG21 VAL A 32 -0.707 10.894 1.600 1.00 1.83 H new ATOM 0 HG22 VAL A 32 0.091 11.170 3.167 1.00 1.83 H new ATOM 0 HG23 VAL A 32 -0.196 9.510 2.594 1.00 1.83 H new ATOM 31 N GLU A 33 -0.198 8.341 5.449 1.00 0.85 N ATOM 32 CA GLU A 33 0.329 7.006 5.764 1.00 0.79 C ATOM 33 C GLU A 33 -0.484 6.347 6.873 1.00 0.77 C ATOM 34 O GLU A 33 -1.072 5.291 6.666 1.00 0.95 O ATOM 35 CB GLU A 33 1.845 7.024 6.049 1.00 0.88 C ATOM 36 CG GLU A 33 2.481 8.149 6.860 1.00 1.20 C ATOM 37 CD GLU A 33 2.835 7.763 8.302 1.00 2.11 C ATOM 38 OE1 GLU A 33 3.987 7.329 8.548 1.00 2.55 O ATOM 39 OE2 GLU A 33 1.966 7.820 9.200 1.00 3.76 O ATOM 0 H GLU A 33 0.417 9.098 5.747 1.00 0.85 H new ATOM 0 HA GLU A 33 0.213 6.385 4.876 1.00 0.79 H new ATOM 0 HB2 GLU A 33 2.085 6.090 6.557 1.00 0.88 H new ATOM 0 HB3 GLU A 33 2.351 7.001 5.084 1.00 0.88 H new ATOM 0 HG2 GLU A 33 3.387 8.481 6.352 1.00 1.20 H new ATOM 0 HG3 GLU A 33 1.798 8.998 6.880 1.00 1.20 H new ATOM 46 N ALA A 34 -0.610 7.030 8.005 1.00 0.73 N ATOM 47 CA ALA A 34 -1.578 6.704 9.057 1.00 0.77 C ATOM 48 C ALA A 34 -3.010 6.517 8.509 1.00 0.76 C ATOM 49 O ALA A 34 -3.683 5.535 8.851 1.00 0.78 O ATOM 50 CB ALA A 34 -1.485 7.787 10.137 1.00 0.95 C ATOM 0 H ALA A 34 -0.033 7.842 8.226 1.00 0.73 H new ATOM 0 HA ALA A 34 -1.331 5.737 9.496 1.00 0.77 H new ATOM 0 HB1 ALA A 34 -2.196 7.569 10.934 1.00 0.95 H new ATOM 0 HB2 ALA A 34 -0.475 7.806 10.547 1.00 0.95 H new ATOM 0 HB3 ALA A 34 -1.717 8.758 9.700 1.00 0.95 H new ATOM 56 N ALA A 35 -3.448 7.403 7.605 1.00 0.81 N ATOM 57 CA ALA A 35 -4.767 7.299 6.978 1.00 0.89 C ATOM 58 C ALA A 35 -4.959 5.991 6.185 1.00 0.90 C ATOM 59 O ALA A 35 -5.997 5.334 6.350 1.00 1.03 O ATOM 60 CB ALA A 35 -5.027 8.535 6.114 1.00 0.99 C ATOM 0 H ALA A 35 -2.901 8.205 7.291 1.00 0.81 H new ATOM 0 HA ALA A 35 -5.510 7.262 7.775 1.00 0.89 H new ATOM 0 HB1 ALA A 35 -6.010 8.454 5.649 1.00 0.99 H new ATOM 0 HB2 ALA A 35 -4.993 9.428 6.738 1.00 0.99 H new ATOM 0 HB3 ALA A 35 -4.264 8.604 5.339 1.00 0.99 H new ATOM 66 N ILE A 36 -3.978 5.559 5.372 1.00 0.84 N ATOM 67 CA ILE A 36 -4.095 4.242 4.726 1.00 0.90 C ATOM 68 C ILE A 36 -3.891 3.074 5.684 1.00 0.82 C ATOM 69 O ILE A 36 -4.630 2.113 5.560 1.00 0.85 O ATOM 70 CB ILE A 36 -3.346 4.030 3.409 1.00 1.15 C ATOM 71 CG1 ILE A 36 -1.869 3.785 3.633 1.00 1.89 C ATOM 72 CG2 ILE A 36 -3.720 5.057 2.341 1.00 3.34 C ATOM 73 CD1 ILE A 36 -0.974 3.894 2.394 1.00 1.90 C ATOM 0 H ILE A 36 -3.128 6.079 5.153 1.00 0.84 H new ATOM 0 HA ILE A 36 -5.141 4.257 4.419 1.00 0.90 H new ATOM 0 HB ILE A 36 -3.693 3.098 2.964 1.00 1.15 H new ATOM 0 HG12 ILE A 36 -1.512 4.496 4.378 1.00 1.89 H new ATOM 0 HG13 ILE A 36 -1.747 2.789 4.058 1.00 1.89 H new ATOM 0 HG21 ILE A 36 -3.157 4.856 1.430 1.00 3.34 H new ATOM 0 HG22 ILE A 36 -4.787 4.991 2.130 1.00 3.34 H new ATOM 0 HG23 ILE A 36 -3.483 6.058 2.700 1.00 3.34 H new ATOM 0 HD11 ILE A 36 0.061 3.699 2.675 1.00 1.90 H new ATOM 0 HD12 ILE A 36 -1.292 3.164 1.650 1.00 1.90 H new ATOM 0 HD13 ILE A 36 -1.054 4.897 1.975 1.00 1.90 H new ATOM 85 N ARG A 37 -2.967 3.129 6.652 1.00 0.75 N ATOM 86 CA ARG A 37 -2.850 2.089 7.711 1.00 0.73 C ATOM 87 C ARG A 37 -4.229 1.766 8.298 1.00 0.74 C ATOM 88 O ARG A 37 -4.658 0.614 8.253 1.00 0.74 O ATOM 89 CB ARG A 37 -1.887 2.464 8.856 1.00 0.74 C ATOM 90 CG ARG A 37 -0.405 2.523 8.459 1.00 1.57 C ATOM 91 CD ARG A 37 0.497 2.475 9.703 1.00 2.22 C ATOM 92 NE ARG A 37 1.861 2.979 9.429 1.00 3.41 N ATOM 93 CZ ARG A 37 2.238 4.246 9.489 1.00 4.60 C ATOM 94 NH1 ARG A 37 1.463 5.186 9.950 1.00 5.08 N ATOM 95 NH2 ARG A 37 3.409 4.616 9.070 1.00 5.84 N ATOM 0 H ARG A 37 -2.282 3.881 6.733 1.00 0.75 H new ATOM 0 HA ARG A 37 -2.427 1.215 7.216 1.00 0.73 H new ATOM 0 HB2 ARG A 37 -2.180 3.435 9.255 1.00 0.74 H new ATOM 0 HB3 ARG A 37 -2.004 1.740 9.662 1.00 0.74 H new ATOM 0 HG2 ARG A 37 -0.167 1.688 7.800 1.00 1.57 H new ATOM 0 HG3 ARG A 37 -0.210 3.437 7.898 1.00 1.57 H new ATOM 0 HD2 ARG A 37 0.046 3.068 10.499 1.00 2.22 H new ATOM 0 HD3 ARG A 37 0.557 1.449 10.066 1.00 2.22 H new ATOM 0 HE ARG A 37 2.570 2.292 9.172 1.00 3.41 H new ATOM 0 HH11 ARG A 37 0.526 4.957 10.282 1.00 5.08 H new ATOM 0 HH12 ARG A 37 1.793 6.151 9.979 1.00 5.08 H new ATOM 0 HH21 ARG A 37 4.055 3.926 8.687 1.00 5.84 H new ATOM 0 HH22 ARG A 37 3.683 5.597 9.124 1.00 5.84 H new ATOM 109 N THR A 38 -4.976 2.794 8.714 1.00 0.82 N ATOM 110 CA THR A 38 -6.352 2.602 9.212 1.00 0.93 C ATOM 111 C THR A 38 -7.326 2.114 8.131 1.00 0.96 C ATOM 112 O THR A 38 -8.052 1.148 8.382 1.00 1.03 O ATOM 113 CB THR A 38 -6.831 3.863 9.945 1.00 1.01 C ATOM 114 OG1 THR A 38 -6.337 3.813 11.269 1.00 1.40 O ATOM 115 CG2 THR A 38 -8.349 4.010 10.039 1.00 1.50 C ATOM 0 H THR A 38 -4.658 3.763 8.718 1.00 0.82 H new ATOM 0 HA THR A 38 -6.334 1.788 9.937 1.00 0.93 H new ATOM 0 HB THR A 38 -6.461 4.709 9.366 1.00 1.01 H new ATOM 0 HG1 THR A 38 -6.629 4.611 11.758 1.00 1.40 H new ATOM 0 HG21 THR A 38 -8.593 4.929 10.572 1.00 1.50 H new ATOM 0 HG22 THR A 38 -8.774 4.049 9.036 1.00 1.50 H new ATOM 0 HG23 THR A 38 -8.765 3.157 10.576 1.00 1.50 H new ATOM 123 N LYS A 39 -7.321 2.678 6.911 1.00 0.96 N ATOM 124 CA LYS A 39 -8.197 2.189 5.825 1.00 1.03 C ATOM 125 C LYS A 39 -7.954 0.712 5.483 1.00 0.90 C ATOM 126 O LYS A 39 -8.904 -0.037 5.274 1.00 0.96 O ATOM 127 CB LYS A 39 -8.012 3.072 4.578 1.00 1.14 C ATOM 128 CG LYS A 39 -9.070 2.810 3.493 1.00 2.12 C ATOM 129 CD LYS A 39 -10.404 3.494 3.823 1.00 2.47 C ATOM 130 CE LYS A 39 -11.562 3.015 2.941 1.00 3.47 C ATOM 131 NZ LYS A 39 -11.993 1.642 3.291 1.00 4.33 N ATOM 0 H LYS A 39 -6.727 3.465 6.651 1.00 0.96 H new ATOM 0 HA LYS A 39 -9.226 2.257 6.178 1.00 1.03 H new ATOM 0 HB2 LYS A 39 -8.054 4.121 4.873 1.00 1.14 H new ATOM 0 HB3 LYS A 39 -7.020 2.898 4.160 1.00 1.14 H new ATOM 0 HG2 LYS A 39 -8.703 3.172 2.532 1.00 2.12 H new ATOM 0 HG3 LYS A 39 -9.227 1.736 3.390 1.00 2.12 H new ATOM 0 HD2 LYS A 39 -10.651 3.309 4.868 1.00 2.47 H new ATOM 0 HD3 LYS A 39 -10.290 4.572 3.709 1.00 2.47 H new ATOM 0 HE2 LYS A 39 -12.405 3.698 3.047 1.00 3.47 H new ATOM 0 HE3 LYS A 39 -11.257 3.044 1.895 1.00 3.47 H new ATOM 0 HZ1 LYS A 39 -13.026 1.569 3.200 1.00 4.33 H new ATOM 0 HZ2 LYS A 39 -11.540 0.961 2.648 1.00 4.33 H new ATOM 0 HZ3 LYS A 39 -11.716 1.430 4.271 1.00 4.33 H new ATOM 145 N LEU A 40 -6.693 0.290 5.449 1.00 0.78 N ATOM 146 CA LEU A 40 -6.242 -1.064 5.128 1.00 0.72 C ATOM 147 C LEU A 40 -6.580 -2.051 6.256 1.00 0.75 C ATOM 148 O LEU A 40 -6.991 -3.175 5.966 1.00 0.80 O ATOM 149 CB LEU A 40 -4.729 -1.019 4.819 1.00 0.78 C ATOM 150 CG LEU A 40 -4.335 -0.633 3.369 1.00 0.88 C ATOM 151 CD1 LEU A 40 -4.520 -1.861 2.475 1.00 1.23 C ATOM 152 CD2 LEU A 40 -5.093 0.522 2.721 1.00 1.15 C ATOM 0 H LEU A 40 -5.915 0.916 5.656 1.00 0.78 H new ATOM 0 HA LEU A 40 -6.769 -1.429 4.247 1.00 0.72 H new ATOM 0 HB2 LEU A 40 -4.261 -0.309 5.501 1.00 0.78 H new ATOM 0 HB3 LEU A 40 -4.305 -1.999 5.039 1.00 0.78 H new ATOM 0 HG LEU A 40 -3.306 -0.285 3.457 1.00 0.88 H new ATOM 0 HD11 LEU A 40 -4.248 -1.609 1.450 1.00 1.23 H new ATOM 0 HD12 LEU A 40 -3.882 -2.670 2.832 1.00 1.23 H new ATOM 0 HD13 LEU A 40 -5.562 -2.180 2.506 1.00 1.23 H new ATOM 0 HD21 LEU A 40 -4.716 0.683 1.711 1.00 1.15 H new ATOM 0 HD22 LEU A 40 -6.155 0.281 2.678 1.00 1.15 H new ATOM 0 HD23 LEU A 40 -4.950 1.428 3.311 1.00 1.15 H new ATOM 164 N GLU A 41 -6.484 -1.623 7.519 1.00 0.80 N ATOM 165 CA GLU A 41 -6.980 -2.369 8.687 1.00 0.89 C ATOM 166 C GLU A 41 -8.512 -2.514 8.696 1.00 0.98 C ATOM 167 O GLU A 41 -9.021 -3.552 9.110 1.00 1.08 O ATOM 168 CB GLU A 41 -6.469 -1.711 9.980 1.00 0.89 C ATOM 169 CG GLU A 41 -4.971 -1.978 10.206 1.00 1.23 C ATOM 170 CD GLU A 41 -4.392 -1.077 11.303 1.00 1.79 C ATOM 171 OE1 GLU A 41 -4.933 -1.043 12.429 1.00 2.24 O ATOM 172 OE2 GLU A 41 -3.364 -0.393 11.069 1.00 3.02 O ATOM 0 H GLU A 41 -6.052 -0.733 7.766 1.00 0.80 H new ATOM 0 HA GLU A 41 -6.586 -3.383 8.623 1.00 0.89 H new ATOM 0 HB2 GLU A 41 -6.643 -0.636 9.934 1.00 0.89 H new ATOM 0 HB3 GLU A 41 -7.038 -2.090 10.829 1.00 0.89 H new ATOM 0 HG2 GLU A 41 -4.825 -3.023 10.479 1.00 1.23 H new ATOM 0 HG3 GLU A 41 -4.428 -1.813 9.276 1.00 1.23 H new ATOM 179 N GLU A 42 -9.266 -1.543 8.169 1.00 1.04 N ATOM 180 CA GLU A 42 -10.700 -1.697 7.907 1.00 1.16 C ATOM 181 C GLU A 42 -10.982 -2.611 6.691 1.00 1.16 C ATOM 182 O GLU A 42 -11.993 -3.322 6.678 1.00 1.33 O ATOM 183 CB GLU A 42 -11.310 -0.283 7.792 1.00 1.26 C ATOM 184 CG GLU A 42 -12.491 -0.156 6.829 1.00 2.14 C ATOM 185 CD GLU A 42 -13.101 1.247 6.883 1.00 2.49 C ATOM 186 OE1 GLU A 42 -12.681 2.132 6.099 1.00 3.38 O ATOM 187 OE2 GLU A 42 -13.987 1.496 7.739 1.00 2.81 O ATOM 0 H GLU A 42 -8.898 -0.627 7.912 1.00 1.04 H new ATOM 0 HA GLU A 42 -11.186 -2.218 8.732 1.00 1.16 H new ATOM 0 HB2 GLU A 42 -11.634 0.036 8.782 1.00 1.26 H new ATOM 0 HB3 GLU A 42 -10.528 0.407 7.475 1.00 1.26 H new ATOM 0 HG2 GLU A 42 -12.160 -0.373 5.813 1.00 2.14 H new ATOM 0 HG3 GLU A 42 -13.251 -0.896 7.082 1.00 2.14 H new ATOM 194 N ALA A 43 -10.113 -2.612 5.674 1.00 1.02 N ATOM 195 CA ALA A 43 -10.375 -3.262 4.390 1.00 1.07 C ATOM 196 C ALA A 43 -9.982 -4.750 4.324 1.00 1.04 C ATOM 197 O ALA A 43 -10.846 -5.588 4.061 1.00 1.08 O ATOM 198 CB ALA A 43 -9.677 -2.459 3.285 1.00 1.06 C ATOM 0 H ALA A 43 -9.201 -2.157 5.722 1.00 1.02 H new ATOM 0 HA ALA A 43 -11.456 -3.264 4.251 1.00 1.07 H new ATOM 0 HB1 ALA A 43 -9.862 -2.931 2.320 1.00 1.06 H new ATOM 0 HB2 ALA A 43 -10.068 -1.441 3.273 1.00 1.06 H new ATOM 0 HB3 ALA A 43 -8.604 -2.433 3.476 1.00 1.06 H new ATOM 204 N LEU A 44 -8.713 -5.110 4.565 1.00 0.99 N ATOM 205 CA LEU A 44 -8.125 -6.365 4.045 1.00 1.23 C ATOM 206 C LEU A 44 -7.422 -7.247 5.081 1.00 1.34 C ATOM 207 O LEU A 44 -6.689 -8.175 4.736 1.00 1.71 O ATOM 208 CB LEU A 44 -7.327 -6.099 2.782 1.00 1.33 C ATOM 209 CG LEU A 44 -6.067 -5.234 2.874 1.00 1.28 C ATOM 210 CD1 LEU A 44 -4.843 -5.941 3.462 1.00 1.03 C ATOM 211 CD2 LEU A 44 -5.786 -4.907 1.419 1.00 1.64 C ATOM 0 H LEU A 44 -8.066 -4.549 5.120 1.00 0.99 H new ATOM 0 HA LEU A 44 -8.964 -7.003 3.766 1.00 1.23 H new ATOM 0 HB2 LEU A 44 -7.035 -7.064 2.367 1.00 1.33 H new ATOM 0 HB3 LEU A 44 -7.997 -5.631 2.061 1.00 1.33 H new ATOM 0 HG LEU A 44 -6.236 -4.386 3.538 1.00 1.28 H new ATOM 0 HD11 LEU A 44 -4.001 -5.250 3.487 1.00 1.03 H new ATOM 0 HD12 LEU A 44 -5.068 -6.276 4.475 1.00 1.03 H new ATOM 0 HD13 LEU A 44 -4.588 -6.802 2.844 1.00 1.03 H new ATOM 0 HD21 LEU A 44 -4.895 -4.283 1.352 1.00 1.64 H new ATOM 0 HD22 LEU A 44 -5.625 -5.831 0.863 1.00 1.64 H new ATOM 0 HD23 LEU A 44 -6.636 -4.372 0.996 1.00 1.64 H new ATOM 223 N SER A 45 -7.646 -6.919 6.352 1.00 1.29 N ATOM 224 CA SER A 45 -7.112 -7.596 7.536 1.00 1.48 C ATOM 225 C SER A 45 -5.595 -7.855 7.462 1.00 1.15 C ATOM 226 O SER A 45 -5.160 -9.003 7.324 1.00 1.29 O ATOM 227 CB SER A 45 -7.925 -8.849 7.847 1.00 2.06 C ATOM 228 OG SER A 45 -7.577 -9.356 9.120 1.00 2.28 O ATOM 0 H SER A 45 -8.240 -6.127 6.599 1.00 1.29 H new ATOM 0 HA SER A 45 -7.225 -6.915 8.379 1.00 1.48 H new ATOM 0 HB2 SER A 45 -8.990 -8.616 7.819 1.00 2.06 H new ATOM 0 HB3 SER A 45 -7.744 -9.607 7.084 1.00 2.06 H new ATOM 0 HG SER A 45 -8.107 -10.159 9.308 1.00 2.28 H new ATOM 234 N PRO A 46 -4.757 -6.798 7.487 1.00 0.91 N ATOM 235 CA PRO A 46 -3.313 -6.918 7.324 1.00 0.77 C ATOM 236 C PRO A 46 -2.634 -7.842 8.343 1.00 0.83 C ATOM 237 O PRO A 46 -3.073 -7.972 9.483 1.00 1.06 O ATOM 238 CB PRO A 46 -2.767 -5.497 7.459 1.00 0.96 C ATOM 239 CG PRO A 46 -3.932 -4.585 7.109 1.00 1.06 C ATOM 240 CD PRO A 46 -5.134 -5.395 7.591 1.00 1.04 C ATOM 0 HA PRO A 46 -3.100 -7.376 6.358 1.00 0.77 H new ATOM 0 HB2 PRO A 46 -2.409 -5.308 8.471 1.00 0.96 H new ATOM 0 HB3 PRO A 46 -1.924 -5.334 6.787 1.00 0.96 H new ATOM 0 HG2 PRO A 46 -3.861 -3.622 7.615 1.00 1.06 H new ATOM 0 HG3 PRO A 46 -3.982 -4.380 6.040 1.00 1.06 H new ATOM 0 HD2 PRO A 46 -5.388 -5.137 8.619 1.00 1.04 H new ATOM 0 HD3 PRO A 46 -6.013 -5.184 6.982 1.00 1.04 H new ATOM 248 N GLU A 47 -1.487 -8.391 7.960 1.00 0.75 N ATOM 249 CA GLU A 47 -0.436 -8.831 8.873 1.00 0.76 C ATOM 250 C GLU A 47 0.453 -7.640 9.263 1.00 0.87 C ATOM 251 O GLU A 47 0.685 -7.352 10.441 1.00 1.14 O ATOM 252 CB GLU A 47 0.405 -9.887 8.151 1.00 0.83 C ATOM 253 CG GLU A 47 1.271 -10.667 9.135 1.00 0.93 C ATOM 254 CD GLU A 47 0.613 -11.941 9.689 1.00 1.30 C ATOM 255 OE1 GLU A 47 -0.599 -12.177 9.483 1.00 2.06 O ATOM 256 OE2 GLU A 47 1.337 -12.731 10.345 1.00 2.15 O ATOM 0 H GLU A 47 -1.255 -8.547 6.979 1.00 0.75 H new ATOM 0 HA GLU A 47 -0.875 -9.247 9.780 1.00 0.76 H new ATOM 0 HB2 GLU A 47 -0.250 -10.574 7.615 1.00 0.83 H new ATOM 0 HB3 GLU A 47 1.039 -9.405 7.407 1.00 0.83 H new ATOM 0 HG2 GLU A 47 2.204 -10.940 8.642 1.00 0.93 H new ATOM 0 HG3 GLU A 47 1.530 -10.014 9.969 1.00 0.93 H new ATOM 263 N VAL A 48 0.968 -6.946 8.242 1.00 0.77 N ATOM 264 CA VAL A 48 2.205 -6.153 8.335 1.00 0.66 C ATOM 265 C VAL A 48 2.227 -5.110 7.214 1.00 0.76 C ATOM 266 O VAL A 48 1.704 -5.359 6.132 1.00 1.24 O ATOM 267 CB VAL A 48 3.409 -7.139 8.288 1.00 1.16 C ATOM 268 CG1 VAL A 48 4.589 -6.777 7.395 1.00 1.02 C ATOM 269 CG2 VAL A 48 3.989 -7.393 9.680 1.00 3.11 C ATOM 0 H VAL A 48 0.536 -6.917 7.318 1.00 0.77 H new ATOM 0 HA VAL A 48 2.264 -5.597 9.270 1.00 0.66 H new ATOM 0 HB VAL A 48 2.935 -8.016 7.847 1.00 1.16 H new ATOM 0 HG11 VAL A 48 5.350 -7.555 7.464 1.00 1.02 H new ATOM 0 HG12 VAL A 48 4.251 -6.691 6.362 1.00 1.02 H new ATOM 0 HG13 VAL A 48 5.012 -5.826 7.719 1.00 1.02 H new ATOM 0 HG21 VAL A 48 4.827 -8.086 9.604 1.00 3.11 H new ATOM 0 HG22 VAL A 48 4.334 -6.452 10.108 1.00 3.11 H new ATOM 0 HG23 VAL A 48 3.220 -7.823 10.322 1.00 3.11 H new ATOM 279 N LEU A 49 2.825 -3.931 7.443 1.00 0.69 N ATOM 280 CA LEU A 49 3.005 -2.918 6.394 1.00 0.73 C ATOM 281 C LEU A 49 4.177 -1.960 6.647 1.00 0.74 C ATOM 282 O LEU A 49 4.488 -1.617 7.792 1.00 0.96 O ATOM 283 CB LEU A 49 1.676 -2.179 6.092 1.00 1.16 C ATOM 284 CG LEU A 49 0.751 -1.785 7.264 1.00 0.99 C ATOM 285 CD1 LEU A 49 1.395 -0.822 8.262 1.00 1.74 C ATOM 286 CD2 LEU A 49 -0.497 -1.115 6.688 1.00 1.37 C ATOM 0 H LEU A 49 3.194 -3.655 8.353 1.00 0.69 H new ATOM 0 HA LEU A 49 3.290 -3.460 5.492 1.00 0.73 H new ATOM 0 HB2 LEU A 49 1.924 -1.267 5.548 1.00 1.16 H new ATOM 0 HB3 LEU A 49 1.098 -2.807 5.414 1.00 1.16 H new ATOM 0 HG LEU A 49 0.521 -2.701 7.808 1.00 0.99 H new ATOM 0 HD11 LEU A 49 0.684 -0.592 9.056 1.00 1.74 H new ATOM 0 HD12 LEU A 49 2.283 -1.285 8.693 1.00 1.74 H new ATOM 0 HD13 LEU A 49 1.677 0.098 7.750 1.00 1.74 H new ATOM 0 HD21 LEU A 49 -1.164 -0.829 7.501 1.00 1.37 H new ATOM 0 HD22 LEU A 49 -0.207 -0.227 6.127 1.00 1.37 H new ATOM 0 HD23 LEU A 49 -1.011 -1.811 6.025 1.00 1.37 H new ATOM 298 N GLU A 50 4.826 -1.531 5.570 1.00 0.77 N ATOM 299 CA GLU A 50 5.988 -0.635 5.571 1.00 0.80 C ATOM 300 C GLU A 50 5.931 0.275 4.354 1.00 0.79 C ATOM 301 O GLU A 50 5.677 -0.184 3.246 1.00 0.90 O ATOM 302 CB GLU A 50 7.281 -1.416 5.462 1.00 0.96 C ATOM 303 CG GLU A 50 7.569 -2.358 6.625 1.00 1.05 C ATOM 304 CD GLU A 50 9.031 -2.807 6.616 1.00 1.65 C ATOM 305 OE1 GLU A 50 9.618 -2.953 7.713 1.00 1.85 O ATOM 306 OE2 GLU A 50 9.639 -2.974 5.530 1.00 2.87 O ATOM 0 H GLU A 50 4.548 -1.808 4.628 1.00 0.77 H new ATOM 0 HA GLU A 50 5.962 -0.071 6.503 1.00 0.80 H new ATOM 0 HB2 GLU A 50 7.259 -1.998 4.541 1.00 0.96 H new ATOM 0 HB3 GLU A 50 8.107 -0.710 5.374 1.00 0.96 H new ATOM 0 HG2 GLU A 50 7.344 -1.858 7.567 1.00 1.05 H new ATOM 0 HG3 GLU A 50 6.917 -3.229 6.563 1.00 1.05 H new ATOM 313 N LEU A 51 6.147 1.572 4.528 1.00 0.80 N ATOM 314 CA LEU A 51 5.947 2.522 3.431 1.00 0.81 C ATOM 315 C LEU A 51 6.862 3.756 3.485 1.00 0.99 C ATOM 316 O LEU A 51 7.422 4.097 4.530 1.00 1.14 O ATOM 317 CB LEU A 51 4.434 2.807 3.309 1.00 0.92 C ATOM 318 CG LEU A 51 3.891 3.884 4.235 1.00 1.20 C ATOM 319 CD1 LEU A 51 2.402 4.131 4.002 1.00 1.60 C ATOM 320 CD2 LEU A 51 4.096 3.600 5.718 1.00 1.25 C ATOM 0 H LEU A 51 6.457 1.991 5.405 1.00 0.80 H new ATOM 0 HA LEU A 51 6.276 2.072 2.494 1.00 0.81 H new ATOM 0 HB2 LEU A 51 4.219 3.095 2.280 1.00 0.92 H new ATOM 0 HB3 LEU A 51 3.892 1.881 3.501 1.00 0.92 H new ATOM 0 HG LEU A 51 4.474 4.769 3.979 1.00 1.20 H new ATOM 0 HD11 LEU A 51 2.051 4.907 4.682 1.00 1.60 H new ATOM 0 HD12 LEU A 51 2.243 4.452 2.973 1.00 1.60 H new ATOM 0 HD13 LEU A 51 1.848 3.210 4.185 1.00 1.60 H new ATOM 0 HD21 LEU A 51 3.680 4.418 6.306 1.00 1.25 H new ATOM 0 HD22 LEU A 51 3.593 2.670 5.983 1.00 1.25 H new ATOM 0 HD23 LEU A 51 5.162 3.509 5.927 1.00 1.25 H new ATOM 332 N ARG A 52 6.984 4.427 2.336 1.00 1.04 N ATOM 333 CA ARG A 52 7.782 5.633 2.074 1.00 1.28 C ATOM 334 C ARG A 52 6.953 6.639 1.276 1.00 0.96 C ATOM 335 O ARG A 52 6.231 6.242 0.364 1.00 0.79 O ATOM 336 CB ARG A 52 9.018 5.258 1.229 1.00 1.75 C ATOM 337 CG ARG A 52 9.973 4.213 1.826 1.00 2.65 C ATOM 338 CD ARG A 52 10.545 4.569 3.202 1.00 2.51 C ATOM 339 NE ARG A 52 11.264 5.850 3.200 1.00 2.77 N ATOM 340 CZ ARG A 52 12.084 6.290 4.130 1.00 3.66 C ATOM 341 NH1 ARG A 52 12.360 5.634 5.219 1.00 4.79 N ATOM 342 NH2 ARG A 52 12.660 7.439 3.971 1.00 4.18 N ATOM 0 H ARG A 52 6.490 4.119 1.499 1.00 1.04 H new ATOM 0 HA ARG A 52 8.086 6.066 3.027 1.00 1.28 H new ATOM 0 HB2 ARG A 52 8.671 4.889 0.264 1.00 1.75 H new ATOM 0 HB3 ARG A 52 9.587 6.168 1.037 1.00 1.75 H new ATOM 0 HG2 ARG A 52 9.445 3.263 1.904 1.00 2.65 H new ATOM 0 HG3 ARG A 52 10.801 4.062 1.133 1.00 2.65 H new ATOM 0 HD2 ARG A 52 9.734 4.613 3.928 1.00 2.51 H new ATOM 0 HD3 ARG A 52 11.221 3.778 3.526 1.00 2.51 H new ATOM 0 HE ARG A 52 11.112 6.460 2.397 1.00 2.77 H new ATOM 0 HH11 ARG A 52 11.931 4.724 5.389 1.00 4.79 H new ATOM 0 HH12 ARG A 52 13.005 6.029 5.903 1.00 4.79 H new ATOM 0 HH21 ARG A 52 12.476 7.990 3.133 1.00 4.18 H new ATOM 0 HH22 ARG A 52 13.298 7.793 4.684 1.00 4.18 H new ATOM 356 N ASN A 53 7.100 7.934 1.535 1.00 1.11 N ATOM 357 CA ASN A 53 6.740 8.973 0.589 1.00 1.02 C ATOM 358 C ASN A 53 7.978 9.634 -0.043 1.00 1.08 C ATOM 359 O ASN A 53 9.018 9.814 0.596 1.00 1.28 O ATOM 360 CB ASN A 53 5.696 9.905 1.207 1.00 1.02 C ATOM 361 CG ASN A 53 6.080 10.745 2.408 1.00 1.20 C ATOM 362 OD1 ASN A 53 7.240 11.015 2.685 1.00 2.09 O ATOM 363 ND2 ASN A 53 5.100 11.223 3.139 1.00 1.05 N ATOM 0 H ASN A 53 7.475 8.290 2.414 1.00 1.11 H new ATOM 0 HA ASN A 53 6.243 8.540 -0.279 1.00 1.02 H new ATOM 0 HB2 ASN A 53 5.358 10.585 0.425 1.00 1.02 H new ATOM 0 HB3 ASN A 53 4.839 9.295 1.492 1.00 1.02 H new ATOM 0 HD21 ASN A 53 5.306 11.821 3.940 1.00 1.05 H new ATOM 0 HD22 ASN A 53 4.133 10.997 2.906 1.00 1.05 H new ATOM 370 N GLU A 54 7.860 9.963 -1.328 1.00 1.11 N ATOM 371 CA GLU A 54 8.900 10.584 -2.176 1.00 1.33 C ATOM 372 C GLU A 54 8.535 12.029 -2.589 1.00 1.20 C ATOM 373 O GLU A 54 9.337 12.767 -3.161 1.00 1.44 O ATOM 374 CB GLU A 54 9.184 9.661 -3.373 1.00 1.54 C ATOM 375 CG GLU A 54 7.962 9.439 -4.274 1.00 2.24 C ATOM 376 CD GLU A 54 8.262 8.455 -5.400 1.00 2.90 C ATOM 377 OE1 GLU A 54 8.129 7.225 -5.205 1.00 3.34 O ATOM 378 OE2 GLU A 54 8.605 8.925 -6.510 1.00 3.82 O ATOM 0 H GLU A 54 6.994 9.799 -1.842 1.00 1.11 H new ATOM 0 HA GLU A 54 9.820 10.689 -1.601 1.00 1.33 H new ATOM 0 HB2 GLU A 54 9.992 10.087 -3.968 1.00 1.54 H new ATOM 0 HB3 GLU A 54 9.534 8.697 -3.004 1.00 1.54 H new ATOM 0 HG2 GLU A 54 7.132 9.065 -3.675 1.00 2.24 H new ATOM 0 HG3 GLU A 54 7.645 10.392 -4.698 1.00 2.24 H new ATOM 385 N SER A 55 7.324 12.454 -2.228 1.00 0.88 N ATOM 386 CA SER A 55 6.728 13.795 -2.294 1.00 0.85 C ATOM 387 C SER A 55 7.486 14.942 -1.614 1.00 1.03 C ATOM 388 O SER A 55 7.088 16.098 -1.734 1.00 1.47 O ATOM 389 CB SER A 55 5.337 13.655 -1.718 1.00 0.67 C ATOM 390 OG SER A 55 5.381 13.203 -0.381 1.00 1.68 O ATOM 0 H SER A 55 6.656 11.790 -1.836 1.00 0.88 H new ATOM 0 HA SER A 55 6.752 14.105 -3.339 1.00 0.85 H new ATOM 0 HB2 SER A 55 4.823 14.615 -1.763 1.00 0.67 H new ATOM 0 HB3 SER A 55 4.759 12.956 -2.322 1.00 0.67 H new ATOM 0 HG SER A 55 5.271 13.965 0.226 1.00 1.68 H new ATOM 396 N GLY A 56 8.570 14.643 -0.907 1.00 1.00 N ATOM 397 CA GLY A 56 9.591 15.615 -0.489 1.00 1.19 C ATOM 398 C GLY A 56 10.407 16.194 -1.659 1.00 1.54 C ATOM 399 O GLY A 56 11.067 17.227 -1.510 1.00 1.71 O ATOM 0 H GLY A 56 8.775 13.693 -0.597 1.00 1.00 H new ATOM 0 HA2 GLY A 56 9.106 16.433 0.044 1.00 1.19 H new ATOM 0 HA3 GLY A 56 10.271 15.135 0.215 1.00 1.19 H new ATOM 403 N GLY A 57 10.333 15.573 -2.836 1.00 1.74 N ATOM 404 CA GLY A 57 10.693 16.160 -4.125 1.00 2.31 C ATOM 405 C GLY A 57 9.524 16.947 -4.740 1.00 2.51 C ATOM 406 O GLY A 57 8.765 17.613 -4.031 1.00 4.05 O ATOM 0 H GLY A 57 10.008 14.610 -2.920 1.00 1.74 H new ATOM 0 HA2 GLY A 57 11.549 16.822 -3.997 1.00 2.31 H new ATOM 0 HA3 GLY A 57 11.001 15.371 -4.811 1.00 2.31 H new ATOM 410 N HIS A 58 9.360 16.823 -6.065 1.00 2.05 N ATOM 411 CA HIS A 58 8.226 17.314 -6.867 1.00 2.05 C ATOM 412 C HIS A 58 7.999 18.841 -6.849 1.00 2.28 C ATOM 413 O HIS A 58 8.605 19.579 -6.067 1.00 2.25 O ATOM 414 CB HIS A 58 6.974 16.472 -6.521 1.00 1.69 C ATOM 415 CG HIS A 58 7.181 15.031 -6.897 1.00 1.72 C ATOM 416 ND1 HIS A 58 7.136 14.527 -8.162 1.00 2.07 N ATOM 417 CD2 HIS A 58 7.632 14.026 -6.078 1.00 1.54 C ATOM 418 CE1 HIS A 58 7.549 13.256 -8.117 1.00 2.07 C ATOM 419 NE2 HIS A 58 7.877 12.896 -6.861 1.00 1.75 N ATOM 0 H HIS A 58 10.056 16.349 -6.641 1.00 2.05 H new ATOM 0 HA HIS A 58 8.477 17.163 -7.917 1.00 2.05 H new ATOM 0 HB2 HIS A 58 6.762 16.548 -5.454 1.00 1.69 H new ATOM 0 HB3 HIS A 58 6.106 16.869 -7.047 1.00 1.69 H new ATOM 0 HD2 HIS A 58 7.773 14.097 -5.010 1.00 1.54 H new ATOM 0 HE1 HIS A 58 7.611 12.603 -8.975 1.00 2.07 H new ATOM 0 HE2 HIS A 58 8.229 11.991 -6.549 1.00 1.75 H new ATOM 427 N ALA A 59 7.123 19.346 -7.725 1.00 3.18 N ATOM 428 CA ALA A 59 6.798 20.777 -7.813 1.00 3.53 C ATOM 429 C ALA A 59 5.798 21.250 -6.729 1.00 2.83 C ATOM 430 O ALA A 59 5.110 22.261 -6.888 1.00 3.00 O ATOM 431 CB ALA A 59 6.323 21.087 -9.235 1.00 4.47 C ATOM 0 H ALA A 59 6.616 18.771 -8.398 1.00 3.18 H new ATOM 0 HA ALA A 59 7.702 21.350 -7.605 1.00 3.53 H new ATOM 0 HB1 ALA A 59 6.078 22.146 -9.314 1.00 4.47 H new ATOM 0 HB2 ALA A 59 7.114 20.843 -9.944 1.00 4.47 H new ATOM 0 HB3 ALA A 59 5.438 20.492 -9.461 1.00 4.47 H new ATOM 437 N VAL A 60 5.691 20.499 -5.630 1.00 2.19 N ATOM 438 CA VAL A 60 4.784 20.723 -4.489 1.00 1.58 C ATOM 439 C VAL A 60 5.511 21.438 -3.337 1.00 1.32 C ATOM 440 O VAL A 60 6.739 21.289 -3.213 1.00 1.73 O ATOM 441 CB VAL A 60 4.175 19.386 -4.016 1.00 1.43 C ATOM 442 CG1 VAL A 60 3.358 18.736 -5.134 1.00 2.13 C ATOM 443 CG2 VAL A 60 5.218 18.384 -3.510 1.00 1.32 C ATOM 0 H VAL A 60 6.267 19.667 -5.500 1.00 2.19 H new ATOM 0 HA VAL A 60 3.972 21.371 -4.819 1.00 1.58 H new ATOM 0 HB VAL A 60 3.531 19.639 -3.174 1.00 1.43 H new ATOM 0 HG11 VAL A 60 2.938 17.795 -4.778 1.00 2.13 H new ATOM 0 HG12 VAL A 60 2.550 19.405 -5.430 1.00 2.13 H new ATOM 0 HG13 VAL A 60 4.003 18.544 -5.992 1.00 2.13 H new ATOM 0 HG21 VAL A 60 4.719 17.468 -3.194 1.00 1.32 H new ATOM 0 HG22 VAL A 60 5.922 18.156 -4.310 1.00 1.32 H new ATOM 0 HG23 VAL A 60 5.756 18.814 -2.665 1.00 1.32 H new ATOM 453 N PRO A 61 4.800 22.191 -2.475 1.00 1.44 N ATOM 454 CA PRO A 61 5.396 22.815 -1.294 1.00 1.94 C ATOM 455 C PRO A 61 5.927 21.772 -0.291 1.00 2.26 C ATOM 456 O PRO A 61 5.500 20.609 -0.330 1.00 2.05 O ATOM 457 CB PRO A 61 4.290 23.693 -0.695 1.00 2.51 C ATOM 458 CG PRO A 61 2.998 23.016 -1.148 1.00 2.52 C ATOM 459 CD PRO A 61 3.368 22.473 -2.527 1.00 1.85 C ATOM 0 HA PRO A 61 6.272 23.408 -1.555 1.00 1.94 H new ATOM 0 HB2 PRO A 61 4.359 23.736 0.392 1.00 2.51 H new ATOM 0 HB3 PRO A 61 4.353 24.718 -1.059 1.00 2.51 H new ATOM 0 HG2 PRO A 61 2.698 22.220 -0.467 1.00 2.52 H new ATOM 0 HG3 PRO A 61 2.168 23.721 -1.200 1.00 2.52 H new ATOM 0 HD2 PRO A 61 2.800 21.571 -2.757 1.00 1.85 H new ATOM 0 HD3 PRO A 61 3.141 23.200 -3.307 1.00 1.85 H new ATOM 467 N PRO A 62 6.839 22.156 0.623 1.00 2.92 N ATOM 468 CA PRO A 62 7.364 21.267 1.661 1.00 3.46 C ATOM 469 C PRO A 62 6.264 20.682 2.560 1.00 3.55 C ATOM 470 O PRO A 62 5.195 21.270 2.732 1.00 3.53 O ATOM 471 CB PRO A 62 8.367 22.103 2.462 1.00 4.17 C ATOM 472 CG PRO A 62 7.892 23.535 2.229 1.00 3.78 C ATOM 473 CD PRO A 62 7.388 23.494 0.791 1.00 3.24 C ATOM 0 HA PRO A 62 7.838 20.395 1.210 1.00 3.46 H new ATOM 0 HB2 PRO A 62 8.355 21.842 3.520 1.00 4.17 H new ATOM 0 HB3 PRO A 62 9.388 21.955 2.109 1.00 4.17 H new ATOM 0 HG2 PRO A 62 7.103 23.818 2.926 1.00 3.78 H new ATOM 0 HG3 PRO A 62 8.701 24.255 2.354 1.00 3.78 H new ATOM 0 HD2 PRO A 62 6.629 24.257 0.617 1.00 3.24 H new ATOM 0 HD3 PRO A 62 8.196 23.681 0.084 1.00 3.24 H new ATOM 481 N GLY A 63 6.531 19.510 3.139 1.00 3.77 N ATOM 482 CA GLY A 63 5.580 18.765 3.970 1.00 3.95 C ATOM 483 C GLY A 63 4.446 18.070 3.204 1.00 3.37 C ATOM 484 O GLY A 63 3.527 17.550 3.836 1.00 3.42 O ATOM 0 H GLY A 63 7.432 19.042 3.042 1.00 3.77 H new ATOM 0 HA2 GLY A 63 6.129 18.012 4.536 1.00 3.95 H new ATOM 0 HA3 GLY A 63 5.140 19.451 4.694 1.00 3.95 H new ATOM 488 N SER A 64 4.479 18.043 1.867 1.00 2.89 N ATOM 489 CA SER A 64 3.474 17.382 1.038 1.00 2.36 C ATOM 490 C SER A 64 3.675 15.865 0.989 1.00 1.96 C ATOM 491 O SER A 64 4.750 15.322 1.264 1.00 2.24 O ATOM 492 CB SER A 64 3.447 17.985 -0.369 1.00 2.14 C ATOM 493 OG SER A 64 3.132 19.364 -0.303 1.00 3.03 O ATOM 0 H SER A 64 5.219 18.489 1.325 1.00 2.89 H new ATOM 0 HA SER A 64 2.504 17.557 1.502 1.00 2.36 H new ATOM 0 HB2 SER A 64 4.415 17.848 -0.850 1.00 2.14 H new ATOM 0 HB3 SER A 64 2.711 17.465 -0.982 1.00 2.14 H new ATOM 0 HG SER A 64 3.954 19.892 -0.387 1.00 3.03 H new ATOM 499 N GLU A 65 2.604 15.171 0.637 1.00 1.50 N ATOM 500 CA GLU A 65 2.391 13.728 0.814 1.00 1.23 C ATOM 501 C GLU A 65 1.805 13.060 -0.455 1.00 1.16 C ATOM 502 O GLU A 65 1.132 12.033 -0.374 1.00 1.50 O ATOM 503 CB GLU A 65 1.513 13.442 2.055 1.00 1.22 C ATOM 504 CG GLU A 65 1.589 14.429 3.230 1.00 1.41 C ATOM 505 CD GLU A 65 0.636 14.009 4.357 1.00 1.56 C ATOM 506 OE1 GLU A 65 -0.373 14.712 4.610 1.00 2.55 O ATOM 507 OE2 GLU A 65 0.941 13.016 5.062 1.00 1.95 O ATOM 0 H GLU A 65 1.805 15.622 0.191 1.00 1.50 H new ATOM 0 HA GLU A 65 3.371 13.280 0.982 1.00 1.23 H new ATOM 0 HB2 GLU A 65 0.475 13.392 1.726 1.00 1.22 H new ATOM 0 HB3 GLU A 65 1.776 12.453 2.431 1.00 1.22 H new ATOM 0 HG2 GLU A 65 2.610 14.473 3.609 1.00 1.41 H new ATOM 0 HG3 GLU A 65 1.333 15.431 2.886 1.00 1.41 H new ATOM 514 N THR A 66 2.004 13.642 -1.648 1.00 0.94 N ATOM 515 CA THR A 66 1.291 13.278 -2.888 1.00 1.08 C ATOM 516 C THR A 66 1.679 11.912 -3.447 1.00 0.94 C ATOM 517 O THR A 66 0.946 11.336 -4.252 1.00 1.17 O ATOM 518 CB THR A 66 1.574 14.308 -3.999 1.00 1.16 C ATOM 519 OG1 THR A 66 2.964 14.452 -4.195 1.00 1.35 O ATOM 520 CG2 THR A 66 1.056 15.706 -3.676 1.00 1.44 C ATOM 0 H THR A 66 2.679 14.395 -1.783 1.00 0.94 H new ATOM 0 HA THR A 66 0.238 13.255 -2.606 1.00 1.08 H new ATOM 0 HB THR A 66 1.062 13.920 -4.879 1.00 1.16 H new ATOM 0 HG1 THR A 66 3.128 15.108 -4.904 1.00 1.35 H new ATOM 0 HG21 THR A 66 1.289 16.380 -4.500 1.00 1.44 H new ATOM 0 HG22 THR A 66 -0.024 15.670 -3.531 1.00 1.44 H new ATOM 0 HG23 THR A 66 1.532 16.069 -2.765 1.00 1.44 H new ATOM 528 N HIS A 67 2.858 11.428 -3.067 1.00 0.63 N ATOM 529 CA HIS A 67 3.675 10.545 -3.893 1.00 0.53 C ATOM 530 C HIS A 67 4.310 9.453 -3.046 1.00 0.44 C ATOM 531 O HIS A 67 5.032 9.756 -2.091 1.00 0.55 O ATOM 532 CB HIS A 67 4.768 11.403 -4.536 1.00 0.70 C ATOM 533 CG HIS A 67 4.849 11.244 -6.021 1.00 0.99 C ATOM 534 ND1 HIS A 67 5.821 10.660 -6.801 1.00 1.25 N ATOM 535 CD2 HIS A 67 3.901 11.746 -6.856 1.00 1.16 C ATOM 536 CE1 HIS A 67 5.471 10.836 -8.088 1.00 1.51 C ATOM 537 NE2 HIS A 67 4.306 11.504 -8.182 1.00 1.45 N ATOM 0 H HIS A 67 3.279 11.642 -2.163 1.00 0.63 H new ATOM 0 HA HIS A 67 3.059 10.062 -4.651 1.00 0.53 H new ATOM 0 HB2 HIS A 67 4.584 12.451 -4.299 1.00 0.70 H new ATOM 0 HB3 HIS A 67 5.731 11.142 -4.097 1.00 0.70 H new ATOM 0 HD2 HIS A 67 2.992 12.245 -6.554 1.00 1.16 H new ATOM 0 HE1 HIS A 67 6.047 10.488 -8.932 1.00 1.51 H new ATOM 0 HE2 HIS A 67 3.819 11.777 -9.035 1.00 1.45 H new ATOM 545 N PHE A 68 4.048 8.193 -3.390 1.00 0.50 N ATOM 546 CA PHE A 68 4.066 7.142 -2.368 1.00 0.54 C ATOM 547 C PHE A 68 4.555 5.768 -2.874 1.00 0.62 C ATOM 548 O PHE A 68 4.323 5.367 -4.021 1.00 0.70 O ATOM 549 CB PHE A 68 2.669 7.138 -1.689 1.00 0.62 C ATOM 550 CG PHE A 68 2.660 7.592 -0.237 1.00 1.29 C ATOM 551 CD1 PHE A 68 2.286 8.917 0.058 1.00 2.90 C ATOM 552 CD2 PHE A 68 3.008 6.722 0.819 1.00 2.05 C ATOM 553 CE1 PHE A 68 2.219 9.360 1.387 1.00 3.68 C ATOM 554 CE2 PHE A 68 2.939 7.174 2.155 1.00 2.59 C ATOM 555 CZ PHE A 68 2.527 8.485 2.438 1.00 3.04 C ATOM 0 H PHE A 68 3.827 7.879 -4.335 1.00 0.50 H new ATOM 0 HA PHE A 68 4.825 7.366 -1.618 1.00 0.54 H new ATOM 0 HB2 PHE A 68 2.002 7.784 -2.260 1.00 0.62 H new ATOM 0 HB3 PHE A 68 2.259 6.130 -1.741 1.00 0.62 H new ATOM 0 HD1 PHE A 68 2.049 9.598 -0.746 1.00 2.90 H new ATOM 0 HD2 PHE A 68 3.326 5.712 0.605 1.00 2.05 H new ATOM 0 HE1 PHE A 68 1.929 10.378 1.601 1.00 3.68 H new ATOM 0 HE2 PHE A 68 3.205 6.508 2.962 1.00 2.59 H new ATOM 0 HZ PHE A 68 2.447 8.819 3.462 1.00 3.04 H new ATOM 565 N ARG A 69 5.256 5.050 -1.996 1.00 0.72 N ATOM 566 CA ARG A 69 5.725 3.666 -2.154 1.00 0.75 C ATOM 567 C ARG A 69 5.237 2.884 -0.934 1.00 0.71 C ATOM 568 O ARG A 69 5.557 3.273 0.186 1.00 0.82 O ATOM 569 CB ARG A 69 7.267 3.631 -2.267 1.00 0.78 C ATOM 570 CG ARG A 69 7.789 3.019 -3.576 1.00 1.30 C ATOM 571 CD ARG A 69 7.539 3.903 -4.802 1.00 2.10 C ATOM 572 NE ARG A 69 8.211 3.354 -5.997 1.00 3.04 N ATOM 573 CZ ARG A 69 8.979 3.972 -6.877 1.00 4.20 C ATOM 574 NH1 ARG A 69 9.248 5.242 -6.852 1.00 5.17 N ATOM 575 NH2 ARG A 69 9.514 3.311 -7.856 1.00 5.13 N ATOM 0 H ARG A 69 5.531 5.442 -1.095 1.00 0.72 H new ATOM 0 HA ARG A 69 5.331 3.219 -3.067 1.00 0.75 H new ATOM 0 HB2 ARG A 69 7.650 4.648 -2.176 1.00 0.78 H new ATOM 0 HB3 ARG A 69 7.669 3.063 -1.428 1.00 0.78 H new ATOM 0 HG2 ARG A 69 8.859 2.836 -3.481 1.00 1.30 H new ATOM 0 HG3 ARG A 69 7.312 2.051 -3.732 1.00 1.30 H new ATOM 0 HD2 ARG A 69 6.468 3.980 -4.986 1.00 2.10 H new ATOM 0 HD3 ARG A 69 7.903 4.912 -4.607 1.00 2.10 H new ATOM 0 HE ARG A 69 8.062 2.359 -6.167 1.00 3.04 H new ATOM 0 HH11 ARG A 69 8.857 5.832 -6.118 1.00 5.17 H new ATOM 0 HH12 ARG A 69 9.851 5.650 -7.567 1.00 5.17 H new ATOM 0 HH21 ARG A 69 9.343 2.310 -7.949 1.00 5.13 H new ATOM 0 HH22 ARG A 69 10.106 3.792 -8.533 1.00 5.13 H new ATOM 589 N VAL A 70 4.428 1.843 -1.118 1.00 0.69 N ATOM 590 CA VAL A 70 3.823 1.096 0.011 1.00 0.72 C ATOM 591 C VAL A 70 4.094 -0.396 -0.111 1.00 0.76 C ATOM 592 O VAL A 70 3.986 -0.964 -1.189 1.00 0.81 O ATOM 593 CB VAL A 70 2.304 1.351 0.152 1.00 0.93 C ATOM 594 CG1 VAL A 70 1.768 0.896 1.524 1.00 1.03 C ATOM 595 CG2 VAL A 70 1.941 2.834 -0.006 1.00 1.09 C ATOM 0 H VAL A 70 4.168 1.487 -2.038 1.00 0.69 H new ATOM 0 HA VAL A 70 4.300 1.472 0.916 1.00 0.72 H new ATOM 0 HB VAL A 70 1.846 0.769 -0.648 1.00 0.93 H new ATOM 0 HG11 VAL A 70 0.698 1.094 1.580 1.00 1.03 H new ATOM 0 HG12 VAL A 70 1.947 -0.172 1.649 1.00 1.03 H new ATOM 0 HG13 VAL A 70 2.280 1.444 2.315 1.00 1.03 H new ATOM 0 HG21 VAL A 70 0.863 2.958 0.102 1.00 1.09 H new ATOM 0 HG22 VAL A 70 2.452 3.417 0.760 1.00 1.09 H new ATOM 0 HG23 VAL A 70 2.250 3.181 -0.992 1.00 1.09 H new ATOM 605 N ALA A 71 4.411 -1.045 1.006 1.00 0.77 N ATOM 606 CA ALA A 71 4.487 -2.503 1.099 1.00 0.78 C ATOM 607 C ALA A 71 3.403 -2.998 2.066 1.00 0.76 C ATOM 608 O ALA A 71 3.304 -2.487 3.196 1.00 0.77 O ATOM 609 CB ALA A 71 5.897 -2.960 1.502 1.00 0.83 C ATOM 0 H ALA A 71 4.625 -0.570 1.883 1.00 0.77 H new ATOM 0 HA ALA A 71 4.299 -2.947 0.122 1.00 0.78 H new ATOM 0 HB1 ALA A 71 5.923 -4.048 1.563 1.00 0.83 H new ATOM 0 HB2 ALA A 71 6.616 -2.621 0.756 1.00 0.83 H new ATOM 0 HB3 ALA A 71 6.153 -2.536 2.473 1.00 0.83 H new ATOM 615 N VAL A 72 2.591 -3.961 1.640 1.00 0.76 N ATOM 616 CA VAL A 72 1.464 -4.487 2.423 1.00 0.73 C ATOM 617 C VAL A 72 1.466 -6.016 2.421 1.00 0.73 C ATOM 618 O VAL A 72 1.368 -6.661 1.382 1.00 0.97 O ATOM 619 CB VAL A 72 0.095 -3.921 1.971 1.00 0.80 C ATOM 620 CG1 VAL A 72 -0.084 -2.465 2.415 1.00 1.77 C ATOM 621 CG2 VAL A 72 -0.161 -3.959 0.455 1.00 1.61 C ATOM 0 H VAL A 72 2.694 -4.408 0.729 1.00 0.76 H new ATOM 0 HA VAL A 72 1.608 -4.144 3.448 1.00 0.73 H new ATOM 0 HB VAL A 72 -0.620 -4.588 2.452 1.00 0.80 H new ATOM 0 HG11 VAL A 72 -1.055 -2.100 2.081 1.00 1.77 H new ATOM 0 HG12 VAL A 72 -0.028 -2.407 3.502 1.00 1.77 H new ATOM 0 HG13 VAL A 72 0.704 -1.852 1.978 1.00 1.77 H new ATOM 0 HG21 VAL A 72 -1.145 -3.541 0.242 1.00 1.61 H new ATOM 0 HG22 VAL A 72 0.601 -3.372 -0.058 1.00 1.61 H new ATOM 0 HG23 VAL A 72 -0.121 -4.991 0.105 1.00 1.61 H new ATOM 631 N VAL A 73 1.573 -6.597 3.622 1.00 0.59 N ATOM 632 CA VAL A 73 1.563 -8.041 3.871 1.00 0.61 C ATOM 633 C VAL A 73 0.224 -8.425 4.498 1.00 0.71 C ATOM 634 O VAL A 73 -0.127 -7.910 5.565 1.00 0.76 O ATOM 635 CB VAL A 73 2.729 -8.458 4.787 1.00 0.87 C ATOM 636 CG1 VAL A 73 2.758 -9.969 5.020 1.00 0.87 C ATOM 637 CG2 VAL A 73 4.116 -8.085 4.239 1.00 1.61 C ATOM 0 H VAL A 73 1.673 -6.052 4.479 1.00 0.59 H new ATOM 0 HA VAL A 73 1.691 -8.566 2.924 1.00 0.61 H new ATOM 0 HB VAL A 73 2.539 -7.910 5.710 1.00 0.87 H new ATOM 0 HG11 VAL A 73 3.595 -10.221 5.671 1.00 0.87 H new ATOM 0 HG12 VAL A 73 1.826 -10.283 5.490 1.00 0.87 H new ATOM 0 HG13 VAL A 73 2.874 -10.482 4.065 1.00 0.87 H new ATOM 0 HG21 VAL A 73 4.884 -8.412 4.940 1.00 1.61 H new ATOM 0 HG22 VAL A 73 4.271 -8.574 3.277 1.00 1.61 H new ATOM 0 HG23 VAL A 73 4.178 -7.004 4.110 1.00 1.61 H new ATOM 647 N SER A 74 -0.507 -9.340 3.856 1.00 0.79 N ATOM 648 CA SER A 74 -1.778 -9.896 4.355 1.00 0.80 C ATOM 649 C SER A 74 -2.033 -11.295 3.792 1.00 0.86 C ATOM 650 O SER A 74 -1.736 -11.565 2.627 1.00 0.94 O ATOM 651 CB SER A 74 -2.966 -8.991 3.986 1.00 0.82 C ATOM 652 OG SER A 74 -4.176 -9.599 4.414 1.00 0.82 O ATOM 0 H SER A 74 -0.230 -9.727 2.954 1.00 0.79 H new ATOM 0 HA SER A 74 -1.690 -9.954 5.440 1.00 0.80 H new ATOM 0 HB2 SER A 74 -2.852 -8.014 4.455 1.00 0.82 H new ATOM 0 HB3 SER A 74 -2.991 -8.826 2.909 1.00 0.82 H new ATOM 0 HG SER A 74 -4.890 -8.928 4.434 1.00 0.82 H new ATOM 658 N SER A 75 -2.641 -12.175 4.588 1.00 0.87 N ATOM 659 CA SER A 75 -3.093 -13.499 4.140 1.00 0.97 C ATOM 660 C SER A 75 -4.085 -13.435 2.975 1.00 1.06 C ATOM 661 O SER A 75 -4.089 -14.321 2.122 1.00 1.36 O ATOM 662 CB SER A 75 -3.727 -14.259 5.306 1.00 1.10 C ATOM 663 OG SER A 75 -2.744 -14.554 6.277 1.00 1.66 O ATOM 0 H SER A 75 -2.837 -11.990 5.572 1.00 0.87 H new ATOM 0 HA SER A 75 -2.207 -14.023 3.780 1.00 0.97 H new ATOM 0 HB2 SER A 75 -4.523 -13.662 5.751 1.00 1.10 H new ATOM 0 HB3 SER A 75 -4.183 -15.181 4.946 1.00 1.10 H new ATOM 0 HG SER A 75 -3.156 -15.039 7.022 1.00 1.66 H new ATOM 669 N ARG A 76 -4.859 -12.350 2.860 1.00 0.94 N ATOM 670 CA ARG A 76 -5.814 -12.130 1.756 1.00 1.01 C ATOM 671 C ARG A 76 -5.168 -11.994 0.372 1.00 1.03 C ATOM 672 O ARG A 76 -5.850 -12.124 -0.644 1.00 1.16 O ATOM 673 CB ARG A 76 -6.662 -10.889 2.052 1.00 1.03 C ATOM 674 CG ARG A 76 -7.714 -11.155 3.145 1.00 1.45 C ATOM 675 CD ARG A 76 -8.908 -10.202 3.000 1.00 1.50 C ATOM 676 NE ARG A 76 -9.761 -10.170 4.199 1.00 2.28 N ATOM 677 CZ ARG A 76 -10.546 -11.111 4.689 1.00 2.59 C ATOM 678 NH1 ARG A 76 -10.730 -12.279 4.153 1.00 3.06 N ATOM 679 NH2 ARG A 76 -11.204 -10.883 5.783 1.00 3.65 N ATOM 0 H ARG A 76 -4.843 -11.587 3.537 1.00 0.94 H new ATOM 0 HA ARG A 76 -6.430 -13.028 1.710 1.00 1.01 H new ATOM 0 HB2 ARG A 76 -6.012 -10.072 2.366 1.00 1.03 H new ATOM 0 HB3 ARG A 76 -7.162 -10.566 1.139 1.00 1.03 H new ATOM 0 HG2 ARG A 76 -8.058 -12.187 3.081 1.00 1.45 H new ATOM 0 HG3 ARG A 76 -7.262 -11.030 4.129 1.00 1.45 H new ATOM 0 HD2 ARG A 76 -8.541 -9.196 2.794 1.00 1.50 H new ATOM 0 HD3 ARG A 76 -9.507 -10.505 2.141 1.00 1.50 H new ATOM 0 HE ARG A 76 -9.743 -9.297 4.726 1.00 2.28 H new ATOM 0 HH11 ARG A 76 -10.249 -12.525 3.288 1.00 3.06 H new ATOM 0 HH12 ARG A 76 -11.356 -12.951 4.597 1.00 3.06 H new ATOM 0 HH21 ARG A 76 -11.112 -9.984 6.256 1.00 3.65 H new ATOM 0 HH22 ARG A 76 -11.814 -11.603 6.171 1.00 3.65 H new ATOM 693 N PHE A 77 -3.864 -11.745 0.328 1.00 0.99 N ATOM 694 CA PHE A 77 -3.054 -11.715 -0.878 1.00 0.94 C ATOM 695 C PHE A 77 -2.479 -13.088 -1.256 1.00 0.95 C ATOM 696 O PHE A 77 -1.801 -13.175 -2.276 1.00 0.99 O ATOM 697 CB PHE A 77 -1.941 -10.679 -0.688 1.00 0.88 C ATOM 698 CG PHE A 77 -2.375 -9.240 -0.471 1.00 0.92 C ATOM 699 CD1 PHE A 77 -3.400 -8.660 -1.246 1.00 2.39 C ATOM 700 CD2 PHE A 77 -1.697 -8.451 0.478 1.00 2.12 C ATOM 701 CE1 PHE A 77 -3.737 -7.306 -1.073 1.00 2.54 C ATOM 702 CE2 PHE A 77 -2.036 -7.100 0.653 1.00 2.09 C ATOM 703 CZ PHE A 77 -3.046 -6.523 -0.131 1.00 1.20 C ATOM 0 H PHE A 77 -3.322 -11.551 1.170 1.00 0.99 H new ATOM 0 HA PHE A 77 -3.695 -11.433 -1.713 1.00 0.94 H new ATOM 0 HB2 PHE A 77 -1.335 -10.984 0.166 1.00 0.88 H new ATOM 0 HB3 PHE A 77 -1.294 -10.710 -1.565 1.00 0.88 H new ATOM 0 HD1 PHE A 77 -3.928 -9.257 -1.975 1.00 2.39 H new ATOM 0 HD2 PHE A 77 -0.911 -8.888 1.075 1.00 2.12 H new ATOM 0 HE1 PHE A 77 -4.527 -6.867 -1.664 1.00 2.54 H new ATOM 0 HE2 PHE A 77 -1.519 -6.505 1.391 1.00 2.09 H new ATOM 0 HZ PHE A 77 -3.293 -5.478 -0.011 1.00 1.20 H new ATOM 713 N GLU A 78 -2.717 -14.147 -0.470 1.00 1.04 N ATOM 714 CA GLU A 78 -2.345 -15.518 -0.814 1.00 1.09 C ATOM 715 C GLU A 78 -3.372 -16.266 -1.684 1.00 1.12 C ATOM 716 O GLU A 78 -4.574 -15.997 -1.618 1.00 1.33 O ATOM 717 CB GLU A 78 -1.948 -16.292 0.464 1.00 1.41 C ATOM 718 CG GLU A 78 -3.048 -17.223 1.010 1.00 1.37 C ATOM 719 CD GLU A 78 -2.763 -17.716 2.431 1.00 1.73 C ATOM 720 OE1 GLU A 78 -3.419 -17.225 3.382 1.00 2.83 O ATOM 721 OE2 GLU A 78 -1.917 -18.626 2.617 1.00 1.94 O ATOM 0 H GLU A 78 -3.181 -14.069 0.435 1.00 1.04 H new ATOM 0 HA GLU A 78 -1.474 -15.455 -1.466 1.00 1.09 H new ATOM 0 HB2 GLU A 78 -1.058 -16.885 0.254 1.00 1.41 H new ATOM 0 HB3 GLU A 78 -1.677 -15.575 1.239 1.00 1.41 H new ATOM 0 HG2 GLU A 78 -4.002 -16.695 0.999 1.00 1.37 H new ATOM 0 HG3 GLU A 78 -3.151 -18.082 0.347 1.00 1.37 H new ATOM 728 N GLY A 79 -2.917 -17.251 -2.461 1.00 1.16 N ATOM 729 CA GLY A 79 -3.748 -17.979 -3.435 1.00 1.41 C ATOM 730 C GLY A 79 -3.741 -17.347 -4.831 1.00 1.28 C ATOM 731 O GLY A 79 -4.721 -17.440 -5.570 1.00 1.94 O ATOM 0 H GLY A 79 -1.950 -17.573 -2.435 1.00 1.16 H new ATOM 0 HA2 GLY A 79 -3.394 -19.007 -3.508 1.00 1.41 H new ATOM 0 HA3 GLY A 79 -4.773 -18.021 -3.068 1.00 1.41 H new ATOM 735 N LEU A 80 -2.666 -16.621 -5.146 1.00 1.07 N ATOM 736 CA LEU A 80 -2.561 -15.597 -6.188 1.00 1.25 C ATOM 737 C LEU A 80 -1.149 -15.596 -6.803 1.00 1.20 C ATOM 738 O LEU A 80 -0.152 -15.771 -6.093 1.00 1.27 O ATOM 739 CB LEU A 80 -2.826 -14.240 -5.506 1.00 1.80 C ATOM 740 CG LEU A 80 -4.308 -13.974 -5.195 1.00 0.90 C ATOM 741 CD1 LEU A 80 -4.537 -13.337 -3.834 1.00 1.61 C ATOM 742 CD2 LEU A 80 -4.892 -13.011 -6.206 1.00 1.56 C ATOM 0 H LEU A 80 -1.785 -16.741 -4.645 1.00 1.07 H new ATOM 0 HA LEU A 80 -3.275 -15.790 -6.988 1.00 1.25 H new ATOM 0 HB2 LEU A 80 -2.257 -14.195 -4.577 1.00 1.80 H new ATOM 0 HB3 LEU A 80 -2.452 -13.443 -6.149 1.00 1.80 H new ATOM 0 HG LEU A 80 -4.783 -14.955 -5.223 1.00 0.90 H new ATOM 0 HD11 LEU A 80 -5.605 -13.178 -3.682 1.00 1.61 H new ATOM 0 HD12 LEU A 80 -4.153 -13.996 -3.055 1.00 1.61 H new ATOM 0 HD13 LEU A 80 -4.017 -12.380 -3.788 1.00 1.61 H new ATOM 0 HD21 LEU A 80 -5.942 -12.832 -5.974 1.00 1.56 H new ATOM 0 HD22 LEU A 80 -4.346 -12.068 -6.168 1.00 1.56 H new ATOM 0 HD23 LEU A 80 -4.809 -13.438 -7.205 1.00 1.56 H new ATOM 754 N SER A 81 -1.047 -15.286 -8.096 1.00 1.21 N ATOM 755 CA SER A 81 0.210 -14.838 -8.717 1.00 1.30 C ATOM 756 C SER A 81 0.622 -13.441 -8.200 1.00 1.33 C ATOM 757 O SER A 81 -0.261 -12.640 -7.881 1.00 1.29 O ATOM 758 CB SER A 81 0.024 -14.831 -10.236 1.00 1.36 C ATOM 759 OG SER A 81 1.016 -14.077 -10.896 1.00 1.89 O ATOM 0 H SER A 81 -1.831 -15.337 -8.746 1.00 1.21 H new ATOM 0 HA SER A 81 1.014 -15.523 -8.449 1.00 1.30 H new ATOM 0 HB2 SER A 81 0.044 -15.856 -10.606 1.00 1.36 H new ATOM 0 HB3 SER A 81 -0.958 -14.424 -10.477 1.00 1.36 H new ATOM 0 HG SER A 81 0.857 -14.103 -11.863 1.00 1.89 H new ATOM 765 N PRO A 82 1.922 -13.079 -8.142 1.00 1.47 N ATOM 766 CA PRO A 82 2.386 -11.757 -7.703 1.00 1.55 C ATOM 767 C PRO A 82 1.722 -10.584 -8.442 1.00 1.48 C ATOM 768 O PRO A 82 1.134 -9.696 -7.814 1.00 1.43 O ATOM 769 CB PRO A 82 3.907 -11.782 -7.885 1.00 1.72 C ATOM 770 CG PRO A 82 4.253 -13.258 -7.717 1.00 1.81 C ATOM 771 CD PRO A 82 3.061 -13.952 -8.368 1.00 1.62 C ATOM 0 HA PRO A 82 2.103 -11.580 -6.665 1.00 1.55 H new ATOM 0 HB2 PRO A 82 4.202 -11.408 -8.866 1.00 1.72 H new ATOM 0 HB3 PRO A 82 4.412 -11.163 -7.143 1.00 1.72 H new ATOM 0 HG2 PRO A 82 5.191 -13.514 -8.210 1.00 1.81 H new ATOM 0 HG3 PRO A 82 4.359 -13.533 -6.668 1.00 1.81 H new ATOM 0 HD2 PRO A 82 3.231 -14.104 -9.434 1.00 1.62 H new ATOM 0 HD3 PRO A 82 2.893 -14.935 -7.928 1.00 1.62 H new ATOM 779 N LEU A 83 1.693 -10.630 -9.781 1.00 1.50 N ATOM 780 CA LEU A 83 1.040 -9.595 -10.595 1.00 1.50 C ATOM 781 C LEU A 83 -0.490 -9.576 -10.428 1.00 1.40 C ATOM 782 O LEU A 83 -1.126 -8.547 -10.652 1.00 1.30 O ATOM 783 CB LEU A 83 1.516 -9.691 -12.060 1.00 1.69 C ATOM 784 CG LEU A 83 1.112 -10.939 -12.874 1.00 2.67 C ATOM 785 CD1 LEU A 83 -0.301 -10.858 -13.458 1.00 3.35 C ATOM 786 CD2 LEU A 83 2.067 -11.105 -14.057 1.00 3.57 C ATOM 0 H LEU A 83 2.118 -11.379 -10.327 1.00 1.50 H new ATOM 0 HA LEU A 83 1.352 -8.619 -10.224 1.00 1.50 H new ATOM 0 HB2 LEU A 83 1.146 -8.813 -12.589 1.00 1.69 H new ATOM 0 HB3 LEU A 83 2.604 -9.629 -12.062 1.00 1.69 H new ATOM 0 HG LEU A 83 1.153 -11.776 -12.176 1.00 2.67 H new ATOM 0 HD11 LEU A 83 -0.516 -11.769 -14.017 1.00 3.35 H new ATOM 0 HD12 LEU A 83 -1.023 -10.749 -12.649 1.00 3.35 H new ATOM 0 HD13 LEU A 83 -0.371 -9.998 -14.124 1.00 3.35 H new ATOM 0 HD21 LEU A 83 1.783 -11.986 -14.633 1.00 3.57 H new ATOM 0 HD22 LEU A 83 2.014 -10.222 -14.694 1.00 3.57 H new ATOM 0 HD23 LEU A 83 3.086 -11.225 -13.688 1.00 3.57 H new ATOM 798 N GLN A 84 -1.074 -10.689 -9.978 1.00 1.49 N ATOM 799 CA GLN A 84 -2.510 -10.879 -9.762 1.00 1.42 C ATOM 800 C GLN A 84 -2.969 -10.367 -8.381 1.00 1.39 C ATOM 801 O GLN A 84 -4.034 -9.762 -8.282 1.00 1.44 O ATOM 802 CB GLN A 84 -2.782 -12.371 -9.965 1.00 1.40 C ATOM 803 CG GLN A 84 -4.248 -12.804 -10.000 1.00 1.35 C ATOM 804 CD GLN A 84 -4.354 -14.318 -9.810 1.00 1.57 C ATOM 805 OE1 GLN A 84 -3.425 -15.070 -10.074 1.00 2.35 O ATOM 806 NE2 GLN A 84 -5.445 -14.814 -9.281 1.00 1.29 N ATOM 0 H GLN A 84 -0.533 -11.521 -9.743 1.00 1.49 H new ATOM 0 HA GLN A 84 -3.091 -10.288 -10.470 1.00 1.42 H new ATOM 0 HB2 GLN A 84 -2.314 -12.678 -10.901 1.00 1.40 H new ATOM 0 HB3 GLN A 84 -2.284 -12.919 -9.165 1.00 1.40 H new ATOM 0 HG2 GLN A 84 -4.805 -12.291 -9.216 1.00 1.35 H new ATOM 0 HG3 GLN A 84 -4.697 -12.517 -10.951 1.00 1.35 H new ATOM 0 HE21 GLN A 84 -6.227 -14.200 -9.056 1.00 1.29 H new ATOM 0 HE22 GLN A 84 -5.512 -15.815 -9.094 1.00 1.29 H new ATOM 815 N ARG A 85 -2.161 -10.519 -7.317 1.00 1.38 N ATOM 816 CA ARG A 85 -2.391 -9.837 -6.019 1.00 1.38 C ATOM 817 C ARG A 85 -2.142 -8.329 -6.123 1.00 1.39 C ATOM 818 O ARG A 85 -2.906 -7.529 -5.582 1.00 1.43 O ATOM 819 CB ARG A 85 -1.594 -10.504 -4.877 1.00 1.43 C ATOM 820 CG ARG A 85 -0.075 -10.534 -5.095 1.00 1.76 C ATOM 821 CD ARG A 85 0.676 -11.221 -3.943 1.00 2.82 C ATOM 822 NE ARG A 85 2.134 -11.042 -4.084 1.00 4.15 N ATOM 823 CZ ARG A 85 3.099 -11.941 -4.074 1.00 5.59 C ATOM 824 NH1 ARG A 85 2.900 -13.214 -3.909 1.00 6.15 N ATOM 825 NH2 ARG A 85 4.318 -11.543 -4.260 1.00 6.91 N ATOM 0 H ARG A 85 -1.332 -11.114 -7.326 1.00 1.38 H new ATOM 0 HA ARG A 85 -3.444 -9.954 -5.763 1.00 1.38 H new ATOM 0 HB2 ARG A 85 -1.805 -9.976 -3.947 1.00 1.43 H new ATOM 0 HB3 ARG A 85 -1.951 -11.526 -4.751 1.00 1.43 H new ATOM 0 HG2 ARG A 85 0.144 -11.054 -6.027 1.00 1.76 H new ATOM 0 HG3 ARG A 85 0.292 -9.514 -5.205 1.00 1.76 H new ATOM 0 HD2 ARG A 85 0.345 -10.808 -2.990 1.00 2.82 H new ATOM 0 HD3 ARG A 85 0.436 -12.284 -3.930 1.00 2.82 H new ATOM 0 HE ARG A 85 2.442 -10.078 -4.208 1.00 4.15 H new ATOM 0 HH11 ARG A 85 1.953 -13.569 -3.777 1.00 6.15 H new ATOM 0 HH12 ARG A 85 3.691 -13.858 -3.911 1.00 6.15 H new ATOM 0 HH21 ARG A 85 4.514 -10.553 -4.410 1.00 6.91 H new ATOM 0 HH22 ARG A 85 5.081 -12.219 -4.257 1.00 6.91 H new ATOM 839 N HIS A 86 -1.142 -7.932 -6.910 1.00 1.31 N ATOM 840 CA HIS A 86 -0.963 -6.540 -7.330 1.00 1.18 C ATOM 841 C HIS A 86 -2.204 -6.021 -8.089 1.00 1.21 C ATOM 842 O HIS A 86 -2.762 -4.997 -7.702 1.00 1.19 O ATOM 843 CB HIS A 86 0.323 -6.461 -8.160 1.00 1.15 C ATOM 844 CG HIS A 86 1.579 -6.250 -7.351 1.00 1.16 C ATOM 845 ND1 HIS A 86 2.598 -5.369 -7.635 1.00 1.15 N ATOM 846 CD2 HIS A 86 1.957 -6.947 -6.238 1.00 1.30 C ATOM 847 CE1 HIS A 86 3.548 -5.515 -6.698 1.00 1.19 C ATOM 848 NE2 HIS A 86 3.195 -6.462 -5.808 1.00 1.27 N ATOM 0 H HIS A 86 -0.432 -8.566 -7.275 1.00 1.31 H new ATOM 0 HA HIS A 86 -0.862 -5.887 -6.463 1.00 1.18 H new ATOM 0 HB2 HIS A 86 0.427 -7.382 -8.734 1.00 1.15 H new ATOM 0 HB3 HIS A 86 0.227 -5.646 -8.878 1.00 1.15 H new ATOM 0 HD2 HIS A 86 1.393 -7.740 -5.769 1.00 1.30 H new ATOM 0 HE1 HIS A 86 4.468 -4.951 -6.663 1.00 1.19 H new ATOM 0 HE2 HIS A 86 3.723 -6.763 -4.989 1.00 1.27 H new ATOM 856 N ARG A 87 -2.731 -6.769 -9.072 1.00 1.30 N ATOM 857 CA ARG A 87 -3.986 -6.430 -9.774 1.00 1.41 C ATOM 858 C ARG A 87 -5.181 -6.321 -8.819 1.00 1.48 C ATOM 859 O ARG A 87 -5.971 -5.392 -8.965 1.00 1.50 O ATOM 860 CB ARG A 87 -4.252 -7.439 -10.910 1.00 1.55 C ATOM 861 CG ARG A 87 -5.544 -7.188 -11.709 1.00 2.23 C ATOM 862 CD ARG A 87 -5.558 -5.817 -12.392 1.00 2.30 C ATOM 863 NE ARG A 87 -6.809 -5.600 -13.135 1.00 2.90 N ATOM 864 CZ ARG A 87 -6.946 -5.190 -14.383 1.00 3.22 C ATOM 865 NH1 ARG A 87 -5.948 -4.983 -15.189 1.00 3.45 N ATOM 866 NH2 ARG A 87 -8.120 -4.953 -14.881 1.00 4.22 N ATOM 0 H ARG A 87 -2.299 -7.630 -9.406 1.00 1.30 H new ATOM 0 HA ARG A 87 -3.862 -5.441 -10.214 1.00 1.41 H new ATOM 0 HB2 ARG A 87 -3.407 -7.421 -11.598 1.00 1.55 H new ATOM 0 HB3 ARG A 87 -4.294 -8.441 -10.484 1.00 1.55 H new ATOM 0 HG2 ARG A 87 -5.657 -7.967 -12.463 1.00 2.23 H new ATOM 0 HG3 ARG A 87 -6.401 -7.265 -11.040 1.00 2.23 H new ATOM 0 HD2 ARG A 87 -5.438 -5.034 -11.643 1.00 2.30 H new ATOM 0 HD3 ARG A 87 -4.710 -5.739 -13.073 1.00 2.30 H new ATOM 0 HE ARG A 87 -7.673 -5.788 -12.626 1.00 2.90 H new ATOM 0 HH11 ARG A 87 -4.992 -5.138 -14.868 1.00 3.45 H new ATOM 0 HH12 ARG A 87 -6.120 -4.666 -16.143 1.00 3.45 H new ATOM 0 HH21 ARG A 87 -8.953 -5.083 -14.307 1.00 4.22 H new ATOM 0 HH22 ARG A 87 -8.210 -4.637 -15.847 1.00 4.22 H new ATOM 880 N LEU A 88 -5.275 -7.196 -7.813 1.00 1.55 N ATOM 881 CA LEU A 88 -6.276 -7.118 -6.741 1.00 1.70 C ATOM 882 C LEU A 88 -6.201 -5.759 -6.033 1.00 1.56 C ATOM 883 O LEU A 88 -7.204 -5.054 -5.969 1.00 1.59 O ATOM 884 CB LEU A 88 -6.077 -8.299 -5.769 1.00 1.90 C ATOM 885 CG LEU A 88 -7.306 -8.675 -4.916 1.00 2.44 C ATOM 886 CD1 LEU A 88 -7.108 -10.077 -4.337 1.00 2.98 C ATOM 887 CD2 LEU A 88 -7.520 -7.727 -3.733 1.00 3.47 C ATOM 0 H LEU A 88 -4.646 -7.994 -7.718 1.00 1.55 H new ATOM 0 HA LEU A 88 -7.278 -7.196 -7.163 1.00 1.70 H new ATOM 0 HB2 LEU A 88 -5.776 -9.174 -6.345 1.00 1.90 H new ATOM 0 HB3 LEU A 88 -5.252 -8.059 -5.099 1.00 1.90 H new ATOM 0 HG LEU A 88 -8.172 -8.616 -5.575 1.00 2.44 H new ATOM 0 HD11 LEU A 88 -7.974 -10.347 -3.733 1.00 2.98 H new ATOM 0 HD12 LEU A 88 -6.995 -10.794 -5.150 1.00 2.98 H new ATOM 0 HD13 LEU A 88 -6.213 -10.091 -3.714 1.00 2.98 H new ATOM 0 HD21 LEU A 88 -8.399 -8.041 -3.169 1.00 3.47 H new ATOM 0 HD22 LEU A 88 -6.645 -7.752 -3.084 1.00 3.47 H new ATOM 0 HD23 LEU A 88 -7.669 -6.712 -4.102 1.00 3.47 H new ATOM 899 N VAL A 89 -5.010 -5.338 -5.592 1.00 1.43 N ATOM 900 CA VAL A 89 -4.833 -3.979 -5.021 1.00 1.37 C ATOM 901 C VAL A 89 -5.230 -2.868 -6.004 1.00 1.21 C ATOM 902 O VAL A 89 -5.887 -1.904 -5.624 1.00 1.22 O ATOM 903 CB VAL A 89 -3.392 -3.746 -4.513 1.00 1.42 C ATOM 904 CG1 VAL A 89 -3.160 -2.329 -3.964 1.00 1.52 C ATOM 905 CG2 VAL A 89 -3.059 -4.701 -3.367 1.00 1.70 C ATOM 0 H VAL A 89 -4.160 -5.902 -5.614 1.00 1.43 H new ATOM 0 HA VAL A 89 -5.512 -3.929 -4.169 1.00 1.37 H new ATOM 0 HB VAL A 89 -2.760 -3.910 -5.386 1.00 1.42 H new ATOM 0 HG11 VAL A 89 -2.128 -2.235 -3.625 1.00 1.52 H new ATOM 0 HG12 VAL A 89 -3.352 -1.598 -4.750 1.00 1.52 H new ATOM 0 HG13 VAL A 89 -3.835 -2.148 -3.128 1.00 1.52 H new ATOM 0 HG21 VAL A 89 -2.040 -4.519 -3.026 1.00 1.70 H new ATOM 0 HG22 VAL A 89 -3.753 -4.536 -2.543 1.00 1.70 H new ATOM 0 HG23 VAL A 89 -3.147 -5.731 -3.714 1.00 1.70 H new ATOM 915 N HIS A 90 -4.867 -3.006 -7.274 1.00 1.17 N ATOM 916 CA HIS A 90 -4.981 -1.948 -8.282 1.00 1.21 C ATOM 917 C HIS A 90 -6.402 -1.783 -8.849 1.00 1.36 C ATOM 918 O HIS A 90 -6.729 -0.724 -9.393 1.00 1.57 O ATOM 919 CB HIS A 90 -4.008 -2.222 -9.446 1.00 1.24 C ATOM 920 CG HIS A 90 -2.521 -2.269 -9.166 1.00 1.20 C ATOM 921 ND1 HIS A 90 -1.567 -2.632 -10.091 1.00 1.39 N ATOM 922 CD2 HIS A 90 -1.848 -1.955 -8.012 1.00 1.11 C ATOM 923 CE1 HIS A 90 -0.359 -2.534 -9.522 1.00 1.29 C ATOM 924 NE2 HIS A 90 -0.472 -2.102 -8.257 1.00 1.15 N ATOM 0 H HIS A 90 -4.477 -3.873 -7.644 1.00 1.17 H new ATOM 0 HA HIS A 90 -4.729 -1.019 -7.771 1.00 1.21 H new ATOM 0 HB2 HIS A 90 -4.289 -3.176 -9.892 1.00 1.24 H new ATOM 0 HB3 HIS A 90 -4.176 -1.455 -10.202 1.00 1.24 H new ATOM 0 HD1 HIS A 90 -1.750 -2.927 -11.050 1.00 1.39 H new ATOM 0 HD2 HIS A 90 -2.297 -1.649 -7.079 1.00 1.11 H new ATOM 0 HE1 HIS A 90 0.574 -2.769 -10.012 1.00 1.29 H new ATOM 932 N ALA A 91 -7.233 -2.825 -8.816 1.00 1.40 N ATOM 933 CA ALA A 91 -8.670 -2.740 -9.079 1.00 1.58 C ATOM 934 C ALA A 91 -9.495 -2.491 -7.805 1.00 1.65 C ATOM 935 O ALA A 91 -10.249 -1.517 -7.721 1.00 1.78 O ATOM 936 CB ALA A 91 -9.095 -3.992 -9.856 1.00 1.76 C ATOM 0 H ALA A 91 -6.920 -3.772 -8.601 1.00 1.40 H new ATOM 0 HA ALA A 91 -8.877 -1.865 -9.695 1.00 1.58 H new ATOM 0 HB1 ALA A 91 -10.164 -3.947 -10.062 1.00 1.76 H new ATOM 0 HB2 ALA A 91 -8.546 -4.040 -10.797 1.00 1.76 H new ATOM 0 HB3 ALA A 91 -8.877 -4.880 -9.263 1.00 1.76 H new ATOM 942 N ALA A 92 -9.332 -3.346 -6.791 1.00 1.64 N ATOM 943 CA ALA A 92 -10.196 -3.356 -5.616 1.00 1.75 C ATOM 944 C ALA A 92 -9.769 -2.361 -4.530 1.00 1.85 C ATOM 945 O ALA A 92 -10.652 -1.844 -3.842 1.00 2.07 O ATOM 946 CB ALA A 92 -10.308 -4.785 -5.071 1.00 1.71 C ATOM 0 H ALA A 92 -8.595 -4.050 -6.766 1.00 1.64 H new ATOM 0 HA ALA A 92 -11.181 -3.015 -5.934 1.00 1.75 H new ATOM 0 HB1 ALA A 92 -10.954 -4.790 -4.193 1.00 1.71 H new ATOM 0 HB2 ALA A 92 -10.732 -5.434 -5.837 1.00 1.71 H new ATOM 0 HB3 ALA A 92 -9.318 -5.148 -4.795 1.00 1.71 H new ATOM 952 N LEU A 93 -8.476 -2.013 -4.388 1.00 1.68 N ATOM 953 CA LEU A 93 -8.060 -1.032 -3.364 1.00 1.62 C ATOM 954 C LEU A 93 -7.704 0.340 -3.954 1.00 1.38 C ATOM 955 O LEU A 93 -7.188 1.193 -3.235 1.00 1.23 O ATOM 956 CB LEU A 93 -6.960 -1.587 -2.429 1.00 1.67 C ATOM 957 CG LEU A 93 -7.351 -2.614 -1.352 1.00 2.07 C ATOM 958 CD1 LEU A 93 -8.708 -2.391 -0.691 1.00 1.47 C ATOM 959 CD2 LEU A 93 -7.275 -4.012 -1.928 1.00 3.01 C ATOM 0 H LEU A 93 -7.715 -2.386 -4.955 1.00 1.68 H new ATOM 0 HA LEU A 93 -8.936 -0.861 -2.738 1.00 1.62 H new ATOM 0 HB2 LEU A 93 -6.193 -2.042 -3.056 1.00 1.67 H new ATOM 0 HB3 LEU A 93 -6.497 -0.739 -1.924 1.00 1.67 H new ATOM 0 HG LEU A 93 -6.626 -2.478 -0.550 1.00 2.07 H new ATOM 0 HD11 LEU A 93 -8.884 -3.170 0.051 1.00 1.47 H new ATOM 0 HD12 LEU A 93 -8.719 -1.416 -0.203 1.00 1.47 H new ATOM 0 HD13 LEU A 93 -9.492 -2.427 -1.448 1.00 1.47 H new ATOM 0 HD21 LEU A 93 -7.553 -4.737 -1.162 1.00 3.01 H new ATOM 0 HD22 LEU A 93 -7.960 -4.096 -2.772 1.00 3.01 H new ATOM 0 HD23 LEU A 93 -6.258 -4.212 -2.265 1.00 3.01 H new ATOM 971 N ALA A 94 -8.008 0.604 -5.228 1.00 1.42 N ATOM 972 CA ALA A 94 -7.597 1.848 -5.872 1.00 1.28 C ATOM 973 C ALA A 94 -8.117 3.122 -5.190 1.00 1.17 C ATOM 974 O ALA A 94 -7.362 4.084 -5.048 1.00 1.00 O ATOM 975 CB ALA A 94 -8.031 1.795 -7.338 1.00 1.65 C ATOM 0 H ALA A 94 -8.536 -0.028 -5.830 1.00 1.42 H new ATOM 0 HA ALA A 94 -6.513 1.917 -5.784 1.00 1.28 H new ATOM 0 HB1 ALA A 94 -7.733 2.716 -7.839 1.00 1.65 H new ATOM 0 HB2 ALA A 94 -7.555 0.945 -7.828 1.00 1.65 H new ATOM 0 HB3 ALA A 94 -9.114 1.686 -7.393 1.00 1.65 H new ATOM 981 N GLU A 95 -9.362 3.130 -4.717 1.00 1.40 N ATOM 982 CA GLU A 95 -9.951 4.289 -4.035 1.00 1.49 C ATOM 983 C GLU A 95 -9.586 4.343 -2.547 1.00 1.45 C ATOM 984 O GLU A 95 -9.819 5.345 -1.874 1.00 1.71 O ATOM 985 CB GLU A 95 -11.478 4.230 -4.169 1.00 1.91 C ATOM 986 CG GLU A 95 -12.024 4.265 -5.604 1.00 2.63 C ATOM 987 CD GLU A 95 -13.533 3.973 -5.671 1.00 3.53 C ATOM 988 OE1 GLU A 95 -14.057 3.846 -6.805 1.00 4.26 O ATOM 989 OE2 GLU A 95 -14.211 3.838 -4.622 1.00 4.32 O ATOM 0 H GLU A 95 -9.995 2.334 -4.794 1.00 1.40 H new ATOM 0 HA GLU A 95 -9.549 5.185 -4.508 1.00 1.49 H new ATOM 0 HB2 GLU A 95 -11.831 3.318 -3.688 1.00 1.91 H new ATOM 0 HB3 GLU A 95 -11.905 5.067 -3.617 1.00 1.91 H new ATOM 0 HG2 GLU A 95 -11.828 5.245 -6.039 1.00 2.63 H new ATOM 0 HG3 GLU A 95 -11.489 3.534 -6.210 1.00 2.63 H new ATOM 996 N GLU A 96 -9.128 3.228 -1.983 1.00 1.34 N ATOM 997 CA GLU A 96 -8.812 3.037 -0.596 1.00 1.38 C ATOM 998 C GLU A 96 -7.340 3.383 -0.313 1.00 1.18 C ATOM 999 O GLU A 96 -7.027 4.022 0.689 1.00 1.39 O ATOM 1000 CB GLU A 96 -9.209 1.579 -0.351 1.00 1.50 C ATOM 1001 CG GLU A 96 -10.702 1.350 -0.680 1.00 1.57 C ATOM 1002 CD GLU A 96 -11.400 0.166 -0.003 1.00 1.69 C ATOM 1003 OE1 GLU A 96 -12.270 -0.440 -0.679 1.00 2.53 O ATOM 1004 OE2 GLU A 96 -11.211 -0.066 1.215 1.00 2.28 O ATOM 0 H GLU A 96 -8.961 2.385 -2.533 1.00 1.34 H new ATOM 0 HA GLU A 96 -9.341 3.695 0.093 1.00 1.38 H new ATOM 0 HB2 GLU A 96 -8.593 0.922 -0.965 1.00 1.50 H new ATOM 0 HB3 GLU A 96 -9.017 1.316 0.689 1.00 1.50 H new ATOM 0 HG2 GLU A 96 -11.247 2.257 -0.418 1.00 1.57 H new ATOM 0 HG3 GLU A 96 -10.793 1.223 -1.759 1.00 1.57 H new ATOM 1011 N LEU A 97 -6.445 3.025 -1.239 1.00 0.92 N ATOM 1012 CA LEU A 97 -5.008 3.302 -1.200 1.00 0.92 C ATOM 1013 C LEU A 97 -4.623 4.519 -2.062 1.00 0.90 C ATOM 1014 O LEU A 97 -3.868 5.371 -1.606 1.00 1.06 O ATOM 1015 CB LEU A 97 -4.302 1.999 -1.609 1.00 1.31 C ATOM 1016 CG LEU A 97 -2.935 1.747 -0.947 1.00 1.64 C ATOM 1017 CD1 LEU A 97 -2.539 0.282 -1.147 1.00 1.95 C ATOM 1018 CD2 LEU A 97 -1.827 2.611 -1.538 1.00 2.76 C ATOM 0 H LEU A 97 -6.717 2.509 -2.076 1.00 0.92 H new ATOM 0 HA LEU A 97 -4.688 3.592 -0.199 1.00 0.92 H new ATOM 0 HB2 LEU A 97 -4.959 1.162 -1.374 1.00 1.31 H new ATOM 0 HB3 LEU A 97 -4.166 2.004 -2.691 1.00 1.31 H new ATOM 0 HG LEU A 97 -3.044 1.999 0.108 1.00 1.64 H new ATOM 0 HD11 LEU A 97 -1.571 0.100 -0.680 1.00 1.95 H new ATOM 0 HD12 LEU A 97 -3.290 -0.363 -0.691 1.00 1.95 H new ATOM 0 HD13 LEU A 97 -2.474 0.065 -2.213 1.00 1.95 H new ATOM 0 HD21 LEU A 97 -0.886 2.391 -1.034 1.00 2.76 H new ATOM 0 HD22 LEU A 97 -1.727 2.397 -2.602 1.00 2.76 H new ATOM 0 HD23 LEU A 97 -2.075 3.664 -1.402 1.00 2.76 H new ATOM 1030 N GLY A 98 -5.219 4.684 -3.254 1.00 1.03 N ATOM 1031 CA GLY A 98 -5.112 5.912 -4.057 1.00 1.32 C ATOM 1032 C GLY A 98 -6.159 6.956 -3.664 1.00 1.43 C ATOM 1033 O GLY A 98 -6.456 7.888 -4.413 1.00 1.87 O ATOM 0 H GLY A 98 -5.793 3.963 -3.691 1.00 1.03 H new ATOM 0 HA2 GLY A 98 -4.115 6.337 -3.936 1.00 1.32 H new ATOM 0 HA3 GLY A 98 -5.227 5.665 -5.112 1.00 1.32 H new ATOM 1037 N GLY A 99 -6.748 6.773 -2.485 1.00 1.54 N ATOM 1038 CA GLY A 99 -7.716 7.691 -1.890 1.00 2.15 C ATOM 1039 C GLY A 99 -7.005 8.979 -1.484 1.00 2.41 C ATOM 1040 O GLY A 99 -7.080 9.977 -2.208 1.00 2.57 O ATOM 0 H GLY A 99 -6.560 5.959 -1.900 1.00 1.54 H new ATOM 0 HA2 GLY A 99 -8.512 7.910 -2.602 1.00 2.15 H new ATOM 0 HA3 GLY A 99 -8.184 7.231 -1.020 1.00 2.15 H new ATOM 1044 N PRO A 100 -6.210 8.947 -0.401 1.00 2.53 N ATOM 1045 CA PRO A 100 -5.459 10.094 0.097 1.00 2.81 C ATOM 1046 C PRO A 100 -4.065 10.242 -0.554 1.00 2.67 C ATOM 1047 O PRO A 100 -3.223 10.975 -0.041 1.00 3.06 O ATOM 1048 CB PRO A 100 -5.415 9.833 1.601 1.00 3.10 C ATOM 1049 CG PRO A 100 -5.167 8.330 1.666 1.00 2.85 C ATOM 1050 CD PRO A 100 -6.068 7.831 0.534 1.00 2.53 C ATOM 0 HA PRO A 100 -5.921 11.050 -0.150 1.00 2.81 H new ATOM 0 HB2 PRO A 100 -4.620 10.397 2.088 1.00 3.10 H new ATOM 0 HB3 PRO A 100 -6.349 10.112 2.089 1.00 3.10 H new ATOM 0 HG2 PRO A 100 -4.120 8.078 1.500 1.00 2.85 H new ATOM 0 HG3 PRO A 100 -5.447 7.908 2.631 1.00 2.85 H new ATOM 0 HD2 PRO A 100 -5.628 6.964 0.041 1.00 2.53 H new ATOM 0 HD3 PRO A 100 -7.039 7.520 0.919 1.00 2.53 H new ATOM 1058 N VAL A 101 -3.791 9.541 -1.665 1.00 2.20 N ATOM 1059 CA VAL A 101 -2.508 9.575 -2.396 1.00 1.95 C ATOM 1060 C VAL A 101 -2.734 9.786 -3.903 1.00 1.99 C ATOM 1061 O VAL A 101 -3.664 9.218 -4.481 1.00 2.15 O ATOM 1062 CB VAL A 101 -1.645 8.329 -2.071 1.00 1.72 C ATOM 1063 CG1 VAL A 101 -0.386 8.308 -2.904 1.00 1.38 C ATOM 1064 CG2 VAL A 101 -1.265 8.263 -0.589 1.00 2.64 C ATOM 0 H VAL A 101 -4.473 8.916 -2.094 1.00 2.20 H new ATOM 0 HA VAL A 101 -1.935 10.436 -2.053 1.00 1.95 H new ATOM 0 HB VAL A 101 -2.257 7.459 -2.311 1.00 1.72 H new ATOM 0 HG11 VAL A 101 0.200 7.423 -2.655 1.00 1.38 H new ATOM 0 HG12 VAL A 101 -0.650 8.283 -3.961 1.00 1.38 H new ATOM 0 HG13 VAL A 101 0.202 9.202 -2.698 1.00 1.38 H new ATOM 0 HG21 VAL A 101 -0.661 7.374 -0.408 1.00 2.64 H new ATOM 0 HG22 VAL A 101 -0.693 9.151 -0.320 1.00 2.64 H new ATOM 0 HG23 VAL A 101 -2.170 8.217 0.017 1.00 2.64 H new ATOM 1074 N HIS A 102 -1.889 10.602 -4.549 1.00 1.93 N ATOM 1075 CA HIS A 102 -2.023 11.018 -5.957 1.00 2.03 C ATOM 1076 C HIS A 102 -1.189 10.181 -6.939 1.00 1.80 C ATOM 1077 O HIS A 102 -1.642 9.940 -8.062 1.00 2.01 O ATOM 1078 CB HIS A 102 -1.663 12.504 -6.094 1.00 2.22 C ATOM 1079 CG HIS A 102 -2.614 13.406 -5.359 1.00 3.52 C ATOM 1080 ND1 HIS A 102 -3.722 14.021 -5.888 1.00 4.49 N ATOM 1081 CD2 HIS A 102 -2.546 13.756 -4.042 1.00 4.21 C ATOM 1082 CE1 HIS A 102 -4.317 14.728 -4.917 1.00 5.78 C ATOM 1083 NE2 HIS A 102 -3.629 14.599 -3.768 1.00 5.67 N ATOM 0 H HIS A 102 -1.069 11.004 -4.095 1.00 1.93 H new ATOM 0 HA HIS A 102 -3.065 10.849 -6.229 1.00 2.03 H new ATOM 0 HB2 HIS A 102 -0.653 12.664 -5.717 1.00 2.22 H new ATOM 0 HB3 HIS A 102 -1.656 12.775 -7.150 1.00 2.22 H new ATOM 0 HD2 HIS A 102 -1.792 13.439 -3.337 1.00 4.21 H new ATOM 0 HE1 HIS A 102 -5.216 15.314 -5.039 1.00 5.78 H new ATOM 0 HE2 HIS A 102 -3.853 15.031 -2.872 1.00 5.67 H new ATOM 1091 N ALA A 103 -0.002 9.720 -6.535 1.00 1.42 N ATOM 1092 CA ALA A 103 0.814 8.793 -7.316 1.00 1.25 C ATOM 1093 C ALA A 103 1.479 7.724 -6.445 1.00 0.87 C ATOM 1094 O ALA A 103 1.832 7.978 -5.290 1.00 0.78 O ATOM 1095 CB ALA A 103 1.874 9.540 -8.105 1.00 1.44 C ATOM 0 H ALA A 103 0.422 9.984 -5.646 1.00 1.42 H new ATOM 0 HA ALA A 103 0.137 8.288 -8.004 1.00 1.25 H new ATOM 0 HB1 ALA A 103 2.469 8.829 -8.678 1.00 1.44 H new ATOM 0 HB2 ALA A 103 1.393 10.243 -8.785 1.00 1.44 H new ATOM 0 HB3 ALA A 103 2.522 10.085 -7.419 1.00 1.44 H new ATOM 1101 N LEU A 104 1.667 6.537 -7.017 1.00 0.84 N ATOM 1102 CA LEU A 104 1.908 5.305 -6.264 1.00 0.83 C ATOM 1103 C LEU A 104 2.786 4.269 -6.964 1.00 0.88 C ATOM 1104 O LEU A 104 2.732 4.090 -8.183 1.00 1.22 O ATOM 1105 CB LEU A 104 0.544 4.678 -5.898 1.00 1.49 C ATOM 1106 CG LEU A 104 0.152 5.056 -4.466 1.00 1.33 C ATOM 1107 CD1 LEU A 104 -1.357 5.031 -4.258 1.00 1.36 C ATOM 1108 CD2 LEU A 104 0.809 4.129 -3.442 1.00 3.58 C ATOM 0 H LEU A 104 1.656 6.400 -8.028 1.00 0.84 H new ATOM 0 HA LEU A 104 2.476 5.596 -5.380 1.00 0.83 H new ATOM 0 HB2 LEU A 104 -0.221 5.022 -6.594 1.00 1.49 H new ATOM 0 HB3 LEU A 104 0.597 3.593 -5.993 1.00 1.49 H new ATOM 0 HG LEU A 104 0.510 6.075 -4.315 1.00 1.33 H new ATOM 0 HD11 LEU A 104 -1.587 5.306 -3.229 1.00 1.36 H new ATOM 0 HD12 LEU A 104 -1.830 5.741 -4.937 1.00 1.36 H new ATOM 0 HD13 LEU A 104 -1.735 4.029 -4.459 1.00 1.36 H new ATOM 0 HD21 LEU A 104 0.509 4.426 -2.437 1.00 3.58 H new ATOM 0 HD22 LEU A 104 0.494 3.102 -3.626 1.00 3.58 H new ATOM 0 HD23 LEU A 104 1.893 4.197 -3.532 1.00 3.58 H new ATOM 1120 N ALA A 105 3.512 3.501 -6.154 1.00 0.76 N ATOM 1121 CA ALA A 105 3.814 2.096 -6.441 1.00 0.79 C ATOM 1122 C ALA A 105 3.612 1.234 -5.181 1.00 0.75 C ATOM 1123 O ALA A 105 3.876 1.692 -4.065 1.00 0.78 O ATOM 1124 CB ALA A 105 5.217 1.956 -7.031 1.00 0.84 C ATOM 0 H ALA A 105 3.910 3.835 -5.276 1.00 0.76 H new ATOM 0 HA ALA A 105 3.118 1.727 -7.194 1.00 0.79 H new ATOM 0 HB1 ALA A 105 5.422 0.905 -7.237 1.00 0.84 H new ATOM 0 HB2 ALA A 105 5.281 2.527 -7.958 1.00 0.84 H new ATOM 0 HB3 ALA A 105 5.950 2.336 -6.320 1.00 0.84 H new ATOM 1130 N ILE A 106 3.105 0.007 -5.337 1.00 0.71 N ATOM 1131 CA ILE A 106 2.836 -0.904 -4.223 1.00 0.67 C ATOM 1132 C ILE A 106 3.591 -2.228 -4.353 1.00 0.57 C ATOM 1133 O ILE A 106 3.978 -2.636 -5.447 1.00 0.54 O ATOM 1134 CB ILE A 106 1.319 -1.100 -4.002 1.00 0.77 C ATOM 1135 CG1 ILE A 106 0.572 -1.844 -5.131 1.00 0.78 C ATOM 1136 CG2 ILE A 106 0.641 0.256 -3.741 1.00 0.99 C ATOM 1137 CD1 ILE A 106 0.549 -3.371 -4.991 1.00 0.98 C ATOM 0 H ILE A 106 2.868 -0.384 -6.249 1.00 0.71 H new ATOM 0 HA ILE A 106 3.226 -0.430 -3.322 1.00 0.67 H new ATOM 0 HB ILE A 106 1.248 -1.751 -3.131 1.00 0.77 H new ATOM 0 HG12 ILE A 106 -0.455 -1.481 -5.168 1.00 0.78 H new ATOM 0 HG13 ILE A 106 1.035 -1.588 -6.084 1.00 0.78 H new ATOM 0 HG21 ILE A 106 -0.427 0.105 -3.587 1.00 0.99 H new ATOM 0 HG22 ILE A 106 1.075 0.715 -2.852 1.00 0.99 H new ATOM 0 HG23 ILE A 106 0.795 0.911 -4.599 1.00 0.99 H new ATOM 0 HD11 ILE A 106 0.003 -3.805 -5.829 1.00 0.98 H new ATOM 0 HD12 ILE A 106 1.570 -3.751 -4.987 1.00 0.98 H new ATOM 0 HD13 ILE A 106 0.057 -3.643 -4.057 1.00 0.98 H new ATOM 1149 N GLN A 107 3.768 -2.915 -3.225 1.00 0.62 N ATOM 1150 CA GLN A 107 3.954 -4.361 -3.175 1.00 0.75 C ATOM 1151 C GLN A 107 2.850 -5.002 -2.331 1.00 0.97 C ATOM 1152 O GLN A 107 2.713 -4.670 -1.151 1.00 1.07 O ATOM 1153 CB GLN A 107 5.328 -4.746 -2.618 1.00 0.84 C ATOM 1154 CG GLN A 107 6.489 -4.492 -3.589 1.00 0.92 C ATOM 1155 CD GLN A 107 7.791 -5.122 -3.093 1.00 2.12 C ATOM 1156 OE1 GLN A 107 7.837 -5.787 -2.069 1.00 3.44 O ATOM 1157 NE2 GLN A 107 8.895 -4.964 -3.785 1.00 2.71 N ATOM 0 H GLN A 107 3.786 -2.473 -2.306 1.00 0.62 H new ATOM 0 HA GLN A 107 3.898 -4.734 -4.198 1.00 0.75 H new ATOM 0 HB2 GLN A 107 5.506 -4.186 -1.700 1.00 0.84 H new ATOM 0 HB3 GLN A 107 5.317 -5.802 -2.350 1.00 0.84 H new ATOM 0 HG2 GLN A 107 6.239 -4.898 -4.569 1.00 0.92 H new ATOM 0 HG3 GLN A 107 6.629 -3.418 -3.715 1.00 0.92 H new ATOM 0 HE21 GLN A 107 8.884 -4.414 -4.644 1.00 2.71 H new ATOM 0 HE22 GLN A 107 9.764 -5.392 -3.464 1.00 2.71 H new ATOM 1166 N ALA A 108 2.107 -5.944 -2.908 1.00 1.06 N ATOM 1167 CA ALA A 108 1.231 -6.856 -2.169 1.00 0.95 C ATOM 1168 C ALA A 108 1.990 -8.157 -1.882 1.00 0.84 C ATOM 1169 O ALA A 108 2.660 -8.675 -2.775 1.00 0.95 O ATOM 1170 CB ALA A 108 -0.057 -7.090 -2.964 1.00 0.96 C ATOM 0 H ALA A 108 2.095 -6.099 -3.916 1.00 1.06 H new ATOM 0 HA ALA A 108 0.942 -6.423 -1.211 1.00 0.95 H new ATOM 0 HB1 ALA A 108 -0.707 -7.769 -2.412 1.00 0.96 H new ATOM 0 HB2 ALA A 108 -0.569 -6.140 -3.115 1.00 0.96 H new ATOM 0 HB3 ALA A 108 0.187 -7.528 -3.932 1.00 0.96 H new ATOM 1176 N ARG A 109 1.929 -8.665 -0.646 1.00 0.89 N ATOM 1177 CA ARG A 109 2.806 -9.739 -0.137 1.00 0.89 C ATOM 1178 C ARG A 109 2.065 -10.679 0.824 1.00 0.75 C ATOM 1179 O ARG A 109 1.104 -10.271 1.482 1.00 0.69 O ATOM 1180 CB ARG A 109 3.993 -9.093 0.604 1.00 1.40 C ATOM 1181 CG ARG A 109 4.859 -8.096 -0.187 1.00 2.36 C ATOM 1182 CD ARG A 109 5.698 -8.709 -1.319 1.00 1.08 C ATOM 1183 NE ARG A 109 6.862 -9.472 -0.819 1.00 2.09 N ATOM 1184 CZ ARG A 109 7.953 -8.965 -0.265 1.00 3.04 C ATOM 1185 NH1 ARG A 109 8.177 -7.692 -0.150 1.00 3.36 N ATOM 1186 NH2 ARG A 109 8.891 -9.727 0.198 1.00 4.47 N ATOM 0 H ARG A 109 1.256 -8.338 0.047 1.00 0.89 H new ATOM 0 HA ARG A 109 3.147 -10.333 -0.985 1.00 0.89 H new ATOM 0 HB2 ARG A 109 3.603 -8.579 1.482 1.00 1.40 H new ATOM 0 HB3 ARG A 109 4.641 -9.892 0.964 1.00 1.40 H new ATOM 0 HG2 ARG A 109 4.208 -7.332 -0.612 1.00 2.36 H new ATOM 0 HG3 ARG A 109 5.530 -7.592 0.508 1.00 2.36 H new ATOM 0 HD2 ARG A 109 5.068 -9.367 -1.917 1.00 1.08 H new ATOM 0 HD3 ARG A 109 6.046 -7.914 -1.979 1.00 1.08 H new ATOM 0 HE ARG A 109 6.821 -10.487 -0.910 1.00 2.09 H new ATOM 0 HH11 ARG A 109 7.492 -7.020 -0.497 1.00 3.36 H new ATOM 0 HH12 ARG A 109 9.038 -7.363 0.287 1.00 3.36 H new ATOM 0 HH21 ARG A 109 8.799 -10.741 0.141 1.00 4.47 H new ATOM 0 HH22 ARG A 109 9.722 -9.313 0.620 1.00 4.47 H new ATOM 1200 N THR A 110 2.543 -11.913 0.968 1.00 0.80 N ATOM 1201 CA THR A 110 1.978 -12.900 1.910 1.00 0.79 C ATOM 1202 C THR A 110 2.764 -12.972 3.229 1.00 0.83 C ATOM 1203 O THR A 110 3.989 -12.768 3.258 1.00 0.81 O ATOM 1204 CB THR A 110 1.841 -14.298 1.284 1.00 0.81 C ATOM 1205 OG1 THR A 110 3.092 -14.925 1.122 1.00 0.80 O ATOM 1206 CG2 THR A 110 1.150 -14.263 -0.080 1.00 1.00 C ATOM 0 H THR A 110 3.338 -12.267 0.435 1.00 0.80 H new ATOM 0 HA THR A 110 0.975 -12.542 2.143 1.00 0.79 H new ATOM 0 HB THR A 110 1.228 -14.866 1.984 1.00 0.81 H new ATOM 0 HG1 THR A 110 2.965 -15.811 0.723 1.00 0.80 H new ATOM 0 HG21 THR A 110 1.079 -15.275 -0.478 1.00 1.00 H new ATOM 0 HG22 THR A 110 0.149 -13.845 0.030 1.00 1.00 H new ATOM 0 HG23 THR A 110 1.729 -13.644 -0.765 1.00 1.00 H new ATOM 1214 N PRO A 111 2.109 -13.270 4.367 1.00 0.88 N ATOM 1215 CA PRO A 111 2.861 -13.529 5.578 1.00 0.80 C ATOM 1216 C PRO A 111 3.751 -14.757 5.404 1.00 1.03 C ATOM 1217 O PRO A 111 4.895 -14.675 5.810 1.00 1.06 O ATOM 1218 CB PRO A 111 1.856 -13.616 6.721 1.00 0.84 C ATOM 1219 CG PRO A 111 0.550 -13.980 6.021 1.00 0.99 C ATOM 1220 CD PRO A 111 0.683 -13.352 4.628 1.00 0.98 C ATOM 0 HA PRO A 111 3.560 -12.727 5.813 1.00 0.80 H new ATOM 0 HB2 PRO A 111 2.144 -14.372 7.452 1.00 0.84 H new ATOM 0 HB3 PRO A 111 1.774 -12.670 7.256 1.00 0.84 H new ATOM 0 HG2 PRO A 111 0.418 -15.060 5.960 1.00 0.99 H new ATOM 0 HG3 PRO A 111 -0.313 -13.583 6.556 1.00 0.99 H new ATOM 0 HD2 PRO A 111 0.182 -13.960 3.875 1.00 0.98 H new ATOM 0 HD3 PRO A 111 0.222 -12.365 4.598 1.00 0.98 H new ATOM 1228 N ALA A 112 3.359 -15.837 4.724 1.00 1.34 N ATOM 1229 CA ALA A 112 4.244 -17.004 4.626 1.00 1.61 C ATOM 1230 C ALA A 112 5.570 -16.746 3.869 1.00 1.51 C ATOM 1231 O ALA A 112 6.579 -17.367 4.218 1.00 1.65 O ATOM 1232 CB ALA A 112 3.468 -18.181 4.031 1.00 1.97 C ATOM 0 H ALA A 112 2.463 -15.930 4.246 1.00 1.34 H new ATOM 0 HA ALA A 112 4.561 -17.245 5.641 1.00 1.61 H new ATOM 0 HB1 ALA A 112 4.123 -19.049 3.957 1.00 1.97 H new ATOM 0 HB2 ALA A 112 2.620 -18.420 4.673 1.00 1.97 H new ATOM 0 HB3 ALA A 112 3.107 -17.914 3.038 1.00 1.97 H new ATOM 1238 N GLN A 113 5.634 -15.798 2.917 1.00 1.30 N ATOM 1239 CA GLN A 113 6.932 -15.285 2.444 1.00 1.10 C ATOM 1240 C GLN A 113 7.577 -14.402 3.534 1.00 0.89 C ATOM 1241 O GLN A 113 8.692 -14.707 3.958 1.00 1.16 O ATOM 1242 CB GLN A 113 6.851 -14.650 1.034 1.00 1.14 C ATOM 1243 CG GLN A 113 6.281 -13.229 0.961 1.00 1.19 C ATOM 1244 CD GLN A 113 5.986 -12.739 -0.453 1.00 1.46 C ATOM 1245 OE1 GLN A 113 4.878 -12.331 -0.768 1.00 1.96 O ATOM 1246 NE2 GLN A 113 6.953 -12.676 -1.340 1.00 2.49 N ATOM 0 H GLN A 113 4.820 -15.379 2.468 1.00 1.30 H new ATOM 0 HA GLN A 113 7.613 -16.122 2.290 1.00 1.10 H new ATOM 0 HB2 GLN A 113 7.853 -14.639 0.606 1.00 1.14 H new ATOM 0 HB3 GLN A 113 6.241 -15.296 0.402 1.00 1.14 H new ATOM 0 HG2 GLN A 113 5.362 -13.189 1.545 1.00 1.19 H new ATOM 0 HG3 GLN A 113 6.987 -12.543 1.430 1.00 1.19 H new ATOM 0 HE21 GLN A 113 7.887 -13.010 -1.101 1.00 2.49 H new ATOM 0 HE22 GLN A 113 6.770 -12.293 -2.267 1.00 2.49 H new ATOM 1255 N TRP A 114 6.884 -13.369 4.055 1.00 0.75 N ATOM 1256 CA TRP A 114 7.458 -12.406 5.028 1.00 0.72 C ATOM 1257 C TRP A 114 8.007 -13.032 6.328 1.00 0.91 C ATOM 1258 O TRP A 114 9.041 -12.602 6.850 1.00 1.02 O ATOM 1259 CB TRP A 114 6.394 -11.358 5.376 1.00 0.67 C ATOM 1260 CG TRP A 114 6.872 -10.272 6.286 1.00 0.66 C ATOM 1261 CD1 TRP A 114 6.807 -10.283 7.638 1.00 0.85 C ATOM 1262 CD2 TRP A 114 7.503 -9.006 5.926 1.00 0.62 C ATOM 1263 NE1 TRP A 114 7.354 -9.118 8.136 1.00 0.82 N ATOM 1264 CE2 TRP A 114 7.769 -8.281 7.127 1.00 0.69 C ATOM 1265 CE3 TRP A 114 7.859 -8.391 4.707 1.00 0.77 C ATOM 1266 CZ2 TRP A 114 8.322 -6.995 7.118 1.00 0.83 C ATOM 1267 CZ3 TRP A 114 8.412 -7.097 4.685 1.00 1.04 C ATOM 1268 CH2 TRP A 114 8.629 -6.398 5.885 1.00 1.04 C ATOM 0 H TRP A 114 5.911 -13.176 3.816 1.00 0.75 H new ATOM 0 HA TRP A 114 8.323 -11.963 4.534 1.00 0.72 H new ATOM 0 HB2 TRP A 114 6.029 -10.908 4.453 1.00 0.67 H new ATOM 0 HB3 TRP A 114 5.546 -11.860 5.843 1.00 0.67 H new ATOM 0 HD1 TRP A 114 6.391 -11.081 8.235 1.00 0.85 H new ATOM 0 HE1 TRP A 114 7.440 -8.904 9.130 1.00 0.82 H new ATOM 0 HE3 TRP A 114 7.705 -8.920 3.778 1.00 0.77 H new ATOM 0 HZ2 TRP A 114 8.509 -6.471 8.044 1.00 0.83 H new ATOM 0 HZ3 TRP A 114 8.671 -6.639 3.742 1.00 1.04 H new ATOM 0 HH2 TRP A 114 9.034 -5.397 5.858 1.00 1.04 H new ATOM 1279 N ARG A 115 7.325 -14.058 6.840 1.00 1.06 N ATOM 1280 CA ARG A 115 7.632 -14.810 8.072 1.00 1.40 C ATOM 1281 C ARG A 115 8.978 -15.516 7.949 1.00 1.54 C ATOM 1282 O ARG A 115 9.799 -15.477 8.865 1.00 1.68 O ATOM 1283 CB ARG A 115 6.529 -15.859 8.342 1.00 1.66 C ATOM 1284 CG ARG A 115 5.131 -15.289 8.645 1.00 1.83 C ATOM 1285 CD ARG A 115 4.749 -15.223 10.128 1.00 1.93 C ATOM 1286 NE ARG A 115 4.079 -13.960 10.488 1.00 3.56 N ATOM 1287 CZ ARG A 115 4.537 -13.004 11.274 1.00 4.34 C ATOM 1288 NH1 ARG A 115 5.729 -12.989 11.792 1.00 4.51 N ATOM 1289 NH2 ARG A 115 3.754 -12.012 11.556 1.00 5.93 N ATOM 0 H ARG A 115 6.487 -14.414 6.380 1.00 1.06 H new ATOM 0 HA ARG A 115 7.675 -14.103 8.901 1.00 1.40 H new ATOM 0 HB2 ARG A 115 6.455 -16.514 7.474 1.00 1.66 H new ATOM 0 HB3 ARG A 115 6.840 -16.479 9.183 1.00 1.66 H new ATOM 0 HG2 ARG A 115 5.070 -14.284 8.228 1.00 1.83 H new ATOM 0 HG3 ARG A 115 4.390 -15.896 8.124 1.00 1.83 H new ATOM 0 HD2 ARG A 115 4.092 -16.059 10.367 1.00 1.93 H new ATOM 0 HD3 ARG A 115 5.646 -15.339 10.736 1.00 1.93 H new ATOM 0 HE ARG A 115 3.155 -13.808 10.083 1.00 3.56 H new ATOM 0 HH11 ARG A 115 6.379 -13.751 11.599 1.00 4.51 H new ATOM 0 HH12 ARG A 115 6.015 -12.215 12.392 1.00 4.51 H new ATOM 0 HH21 ARG A 115 2.809 -11.983 11.173 1.00 5.93 H new ATOM 0 HH22 ARG A 115 4.082 -11.259 12.161 1.00 5.93 H new ATOM 1303 N GLU A 116 9.187 -16.198 6.827 1.00 1.60 N ATOM 1304 CA GLU A 116 10.328 -17.088 6.610 1.00 2.00 C ATOM 1305 C GLU A 116 11.541 -16.414 5.952 1.00 2.09 C ATOM 1306 O GLU A 116 12.657 -16.548 6.458 1.00 2.40 O ATOM 1307 CB GLU A 116 9.841 -18.308 5.819 1.00 2.31 C ATOM 1308 CG GLU A 116 10.913 -19.401 5.742 1.00 2.24 C ATOM 1309 CD GLU A 116 10.387 -20.714 5.158 1.00 2.84 C ATOM 1310 OE1 GLU A 116 10.975 -21.776 5.474 1.00 3.59 O ATOM 1311 OE2 GLU A 116 9.404 -20.720 4.375 1.00 3.49 O ATOM 0 H GLU A 116 8.557 -16.148 6.026 1.00 1.60 H new ATOM 0 HA GLU A 116 10.705 -17.396 7.585 1.00 2.00 H new ATOM 0 HB2 GLU A 116 8.944 -18.711 6.289 1.00 2.31 H new ATOM 0 HB3 GLU A 116 9.562 -18.000 4.811 1.00 2.31 H new ATOM 0 HG2 GLU A 116 11.744 -19.045 5.132 1.00 2.24 H new ATOM 0 HG3 GLU A 116 11.308 -19.586 6.741 1.00 2.24 H new ATOM 1318 N ASN A 117 11.346 -15.779 4.787 1.00 2.02 N ATOM 1319 CA ASN A 117 12.459 -15.335 3.926 1.00 2.48 C ATOM 1320 C ASN A 117 12.229 -14.004 3.171 1.00 2.30 C ATOM 1321 O ASN A 117 13.125 -13.507 2.492 1.00 2.90 O ATOM 1322 CB ASN A 117 12.775 -16.507 2.977 1.00 3.27 C ATOM 1323 CG ASN A 117 14.190 -16.530 2.427 1.00 4.02 C ATOM 1324 OD1 ASN A 117 14.990 -15.617 2.578 1.00 3.92 O ATOM 1325 ND2 ASN A 117 14.552 -17.597 1.763 1.00 5.30 N ATOM 0 H ASN A 117 10.422 -15.559 4.415 1.00 2.02 H new ATOM 0 HA ASN A 117 13.310 -15.089 4.561 1.00 2.48 H new ATOM 0 HB2 ASN A 117 12.593 -17.442 3.507 1.00 3.27 H new ATOM 0 HB3 ASN A 117 12.077 -16.474 2.140 1.00 3.27 H new ATOM 0 HD21 ASN A 117 15.494 -17.662 1.377 1.00 5.30 H new ATOM 0 HD22 ASN A 117 13.893 -18.364 1.631 1.00 5.30 H new ATOM 1332 N SER A 118 11.014 -13.455 3.210 1.00 2.03 N ATOM 1333 CA SER A 118 10.447 -12.423 2.317 1.00 2.30 C ATOM 1334 C SER A 118 10.398 -12.757 0.816 1.00 2.44 C ATOM 1335 O SER A 118 9.378 -12.464 0.193 1.00 3.30 O ATOM 1336 CB SER A 118 11.079 -11.058 2.581 1.00 2.82 C ATOM 1337 OG SER A 118 10.359 -10.399 3.600 1.00 3.60 O ATOM 0 H SER A 118 10.340 -13.738 3.922 1.00 2.03 H new ATOM 0 HA SER A 118 9.392 -12.393 2.590 1.00 2.30 H new ATOM 0 HB2 SER A 118 12.121 -11.178 2.876 1.00 2.82 H new ATOM 0 HB3 SER A 118 11.073 -10.459 1.670 1.00 2.82 H new ATOM 0 HG SER A 118 10.764 -9.523 3.772 1.00 3.60 H new TER 1343 SER A 118