USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 691 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 79 LYS NZ :NH3+ 173:sc= 1.91 (180deg=0.567) USER MOD Set 1.2: A 84 ASN : amide:sc= -1.04 K(o=0.88,f=-15!) USER MOD Set 2.1: A 66 GLN : amide:sc= 0.902 K(o=1.5,f=-19!) USER MOD Set 2.2: A 70 LYS NZ :NH3+ 145:sc= 0.614 (180deg=0) USER MOD Set 3.1: A 4 SER OG : rot -120:sc= 1.96 USER MOD Set 3.2: A 9 SER OG : rot -48:sc= 2 USER MOD Set 3.3: A 11 THR OG1 : rot -107:sc= 0.953 USER MOD Set 3.4: A 12 THR OG1 : rot -176:sc= 0.113! USER MOD Single : A 1 GLY N :NH3+ -127:sc= 2.6 (180deg=-1.9) USER MOD Single : A 2 SER OG : rot 180:sc= 0.304 USER MOD Single : A 3 MET CE :methyl -149:sc= 0 (180deg=-0.866) USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot 110:sc= 1.03 USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 180:sc=-0.00387 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.192 K(o=-0.19,f=-6.9!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.0397 X(o=-0.04,f=0) USER MOD Single : A 46 SER OG : rot 71:sc= 0.2 USER MOD Single : A 51 SER OG : rot -155:sc= 1.42 USER MOD Single : A 58 THR OG1 : rot -54:sc= 0.786 USER MOD Single : A 59 LYS NZ :NH3+ -178:sc= 2.23! (180deg=2.07!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ -163:sc= 0.76 (180deg=0.423) USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot -94:sc= 1.01 USER MOD Single : A 89 HIS : no HE2:sc= 0.752 K(o=0.75,f=-7.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.120 -32.403 -2.132 1.00 3.22 N ATOM 2 CA GLY A 1 6.592 -32.843 -0.778 1.00 3.55 C ATOM 3 C GLY A 1 6.816 -31.624 0.127 1.00 3.49 C ATOM 4 O GLY A 1 6.906 -30.510 -0.347 1.00 3.30 O ATOM 0 H1 GLY A 1 5.245 -32.909 -2.376 1.00 3.22 H new ATOM 0 H2 GLY A 1 5.936 -31.379 -2.120 1.00 3.22 H new ATOM 0 H3 GLY A 1 6.851 -32.615 -2.840 1.00 3.22 H new ATOM 0 HA2 GLY A 1 5.857 -33.509 -0.327 1.00 3.55 H new ATOM 0 HA3 GLY A 1 7.519 -33.409 -0.874 1.00 3.55 H new ATOM 10 N SER A 2 6.898 -31.826 1.430 1.00 3.77 N ATOM 11 CA SER A 2 7.107 -30.671 2.372 1.00 3.88 C ATOM 12 C SER A 2 5.974 -29.644 2.211 1.00 3.41 C ATOM 13 O SER A 2 4.858 -30.006 1.885 1.00 3.20 O ATOM 14 CB SER A 2 8.455 -30.064 1.968 1.00 4.17 C ATOM 15 OG SER A 2 8.709 -28.913 2.765 1.00 4.30 O ATOM 0 H SER A 2 6.829 -32.739 1.879 1.00 3.77 H new ATOM 0 HA SER A 2 7.103 -30.983 3.417 1.00 3.88 H new ATOM 0 HB2 SER A 2 9.251 -30.796 2.102 1.00 4.17 H new ATOM 0 HB3 SER A 2 8.444 -29.794 0.912 1.00 4.17 H new ATOM 0 HG SER A 2 9.571 -28.523 2.511 1.00 4.30 H new ATOM 21 N MET A 3 6.243 -28.373 2.418 1.00 3.35 N ATOM 22 CA MET A 3 5.155 -27.349 2.234 1.00 3.01 C ATOM 23 C MET A 3 4.564 -27.524 0.830 1.00 2.61 C ATOM 24 O MET A 3 3.376 -27.380 0.614 1.00 2.56 O ATOM 25 CB MET A 3 5.816 -25.970 2.400 1.00 3.08 C ATOM 26 CG MET A 3 6.812 -25.705 1.267 1.00 3.05 C ATOM 27 SD MET A 3 7.662 -24.127 1.565 1.00 3.27 S ATOM 28 CE MET A 3 8.009 -23.736 -0.171 1.00 3.51 C ATOM 0 H MET A 3 7.151 -28.004 2.701 1.00 3.35 H new ATOM 0 HA MET A 3 4.346 -27.457 2.957 1.00 3.01 H new ATOM 0 HB2 MET A 3 5.051 -25.193 2.407 1.00 3.08 H new ATOM 0 HB3 MET A 3 6.329 -25.921 3.360 1.00 3.08 H new ATOM 0 HG2 MET A 3 7.538 -26.516 1.209 1.00 3.05 H new ATOM 0 HG3 MET A 3 6.291 -25.675 0.310 1.00 3.05 H new ATOM 0 HE1 MET A 3 8.935 -23.166 -0.237 1.00 3.51 H new ATOM 0 HE2 MET A 3 8.111 -24.661 -0.739 1.00 3.51 H new ATOM 0 HE3 MET A 3 7.190 -23.146 -0.582 1.00 3.51 H new ATOM 38 N SER A 4 5.393 -27.898 -0.114 1.00 2.60 N ATOM 39 CA SER A 4 4.907 -28.158 -1.496 1.00 2.53 C ATOM 40 C SER A 4 4.340 -29.580 -1.544 1.00 2.55 C ATOM 41 O SER A 4 4.754 -30.383 -2.355 1.00 2.74 O ATOM 42 CB SER A 4 6.162 -28.046 -2.360 1.00 2.85 C ATOM 43 OG SER A 4 5.789 -27.898 -3.728 1.00 3.09 O ATOM 0 H SER A 4 6.395 -28.034 0.020 1.00 2.60 H new ATOM 0 HA SER A 4 4.126 -27.475 -1.829 1.00 2.53 H new ATOM 0 HB2 SER A 4 6.760 -27.192 -2.041 1.00 2.85 H new ATOM 0 HB3 SER A 4 6.782 -28.934 -2.236 1.00 2.85 H new ATOM 0 HG SER A 4 6.156 -28.642 -4.249 1.00 3.09 H new ATOM 49 N ILE A 5 3.417 -29.896 -0.645 1.00 2.52 N ATOM 50 CA ILE A 5 2.810 -31.273 -0.571 1.00 2.62 C ATOM 51 C ILE A 5 2.874 -31.963 -1.925 1.00 2.72 C ATOM 52 O ILE A 5 3.629 -32.901 -2.125 1.00 2.85 O ATOM 53 CB ILE A 5 1.348 -31.081 -0.111 1.00 2.87 C ATOM 54 CG1 ILE A 5 0.762 -29.734 -0.608 1.00 3.00 C ATOM 55 CG2 ILE A 5 1.293 -31.142 1.413 1.00 3.16 C ATOM 56 CD1 ILE A 5 0.716 -28.701 0.526 1.00 3.21 C ATOM 0 H ILE A 5 3.056 -29.242 0.050 1.00 2.52 H new ATOM 0 HA ILE A 5 3.355 -31.909 0.127 1.00 2.62 H new ATOM 0 HB ILE A 5 0.744 -31.880 -0.542 1.00 2.87 H new ATOM 0 HG12 ILE A 5 1.368 -29.351 -1.429 1.00 3.00 H new ATOM 0 HG13 ILE A 5 -0.242 -29.893 -1.000 1.00 3.00 H new ATOM 0 HG21 ILE A 5 0.264 -31.007 1.746 1.00 3.16 H new ATOM 0 HG22 ILE A 5 1.660 -32.111 1.752 1.00 3.16 H new ATOM 0 HG23 ILE A 5 1.916 -30.352 1.831 1.00 3.16 H new ATOM 0 HD11 ILE A 5 0.301 -27.766 0.150 1.00 3.21 H new ATOM 0 HD12 ILE A 5 0.090 -29.077 1.335 1.00 3.21 H new ATOM 0 HD13 ILE A 5 1.725 -28.526 0.900 1.00 3.21 H new ATOM 68 N MET A 6 2.125 -31.485 -2.856 1.00 2.92 N ATOM 69 CA MET A 6 2.161 -32.077 -4.213 1.00 3.31 C ATOM 70 C MET A 6 2.993 -31.177 -5.134 1.00 3.50 C ATOM 71 O MET A 6 2.500 -30.193 -5.657 1.00 3.73 O ATOM 72 CB MET A 6 0.696 -32.132 -4.667 1.00 3.69 C ATOM 73 CG MET A 6 0.154 -33.554 -4.526 1.00 3.82 C ATOM 74 SD MET A 6 -0.737 -33.997 -6.035 1.00 4.58 S ATOM 75 CE MET A 6 -1.990 -35.066 -5.271 1.00 5.08 C ATOM 0 H MET A 6 1.481 -30.702 -2.741 1.00 2.92 H new ATOM 0 HA MET A 6 2.615 -33.068 -4.234 1.00 3.31 H new ATOM 0 HB2 MET A 6 0.096 -31.445 -4.070 1.00 3.69 H new ATOM 0 HB3 MET A 6 0.616 -31.806 -5.704 1.00 3.69 H new ATOM 0 HG2 MET A 6 0.972 -34.253 -4.353 1.00 3.82 H new ATOM 0 HG3 MET A 6 -0.510 -33.620 -3.664 1.00 3.82 H new ATOM 0 HE1 MET A 6 -2.657 -35.453 -6.041 1.00 5.08 H new ATOM 0 HE2 MET A 6 -1.499 -35.897 -4.765 1.00 5.08 H new ATOM 0 HE3 MET A 6 -2.567 -34.490 -4.547 1.00 5.08 H new ATOM 85 N ASP A 7 4.244 -31.510 -5.354 1.00 3.60 N ATOM 86 CA ASP A 7 5.088 -30.677 -6.269 1.00 3.97 C ATOM 87 C ASP A 7 4.416 -30.637 -7.651 1.00 4.49 C ATOM 88 O ASP A 7 4.566 -29.694 -8.402 1.00 4.81 O ATOM 89 CB ASP A 7 6.462 -31.362 -6.302 1.00 4.23 C ATOM 90 CG ASP A 7 7.083 -31.300 -4.902 1.00 3.92 C ATOM 91 OD1 ASP A 7 7.181 -30.207 -4.367 1.00 3.82 O ATOM 92 OD2 ASP A 7 7.427 -32.347 -4.375 1.00 3.91 O ATOM 0 H ASP A 7 4.714 -32.317 -4.943 1.00 3.60 H new ATOM 0 HA ASP A 7 5.200 -29.644 -5.941 1.00 3.97 H new ATOM 0 HB2 ASP A 7 6.358 -32.399 -6.623 1.00 4.23 H new ATOM 0 HB3 ASP A 7 7.112 -30.868 -7.025 1.00 4.23 H new ATOM 97 N HIS A 8 3.614 -31.638 -7.953 1.00 4.65 N ATOM 98 CA HIS A 8 2.860 -31.645 -9.243 1.00 5.25 C ATOM 99 C HIS A 8 1.541 -30.865 -9.057 1.00 5.27 C ATOM 100 O HIS A 8 0.520 -31.214 -9.621 1.00 5.65 O ATOM 101 CB HIS A 8 2.556 -33.124 -9.529 1.00 5.51 C ATOM 102 CG HIS A 8 3.547 -33.684 -10.511 1.00 5.60 C ATOM 103 ND1 HIS A 8 3.206 -33.944 -11.826 1.00 5.50 N ATOM 104 CD2 HIS A 8 4.857 -34.065 -10.378 1.00 6.06 C ATOM 105 CE1 HIS A 8 4.291 -34.464 -12.430 1.00 5.79 C ATOM 106 NE2 HIS A 8 5.326 -34.558 -11.590 1.00 6.10 N ATOM 0 H HIS A 8 3.453 -32.449 -7.356 1.00 4.65 H new ATOM 0 HA HIS A 8 3.419 -31.183 -10.057 1.00 5.25 H new ATOM 0 HB2 HIS A 8 2.592 -33.695 -8.601 1.00 5.51 H new ATOM 0 HB3 HIS A 8 1.546 -33.224 -9.926 1.00 5.51 H new ATOM 0 HD2 HIS A 8 5.437 -33.993 -9.470 1.00 6.06 H new ATOM 0 HE1 HIS A 8 4.321 -34.768 -13.466 1.00 5.79 H new ATOM 0 HE2 HIS A 8 6.259 -34.915 -11.794 1.00 6.10 H new ATOM 114 N SER A 9 1.547 -29.821 -8.254 1.00 4.95 N ATOM 115 CA SER A 9 0.300 -29.036 -8.019 1.00 5.08 C ATOM 116 C SER A 9 0.628 -27.547 -7.828 1.00 4.97 C ATOM 117 O SER A 9 1.737 -27.195 -7.473 1.00 4.69 O ATOM 118 CB SER A 9 -0.305 -29.629 -6.737 1.00 4.72 C ATOM 119 OG SER A 9 0.369 -29.090 -5.599 1.00 4.18 O ATOM 0 H SER A 9 2.368 -29.483 -7.752 1.00 4.95 H new ATOM 0 HA SER A 9 -0.389 -29.096 -8.861 1.00 5.08 H new ATOM 0 HB2 SER A 9 -1.369 -29.400 -6.685 1.00 4.72 H new ATOM 0 HB3 SER A 9 -0.213 -30.715 -6.747 1.00 4.72 H new ATOM 0 HG SER A 9 1.338 -29.148 -5.735 1.00 4.18 H new ATOM 125 N PRO A 10 -0.356 -26.711 -8.069 1.00 5.24 N ATOM 126 CA PRO A 10 -0.160 -25.247 -7.917 1.00 5.17 C ATOM 127 C PRO A 10 -0.275 -24.821 -6.440 1.00 4.77 C ATOM 128 O PRO A 10 -0.422 -23.654 -6.143 1.00 4.95 O ATOM 129 CB PRO A 10 -1.309 -24.656 -8.727 1.00 5.68 C ATOM 130 CG PRO A 10 -2.383 -25.703 -8.711 1.00 5.90 C ATOM 131 CD PRO A 10 -1.720 -27.043 -8.500 1.00 5.66 C ATOM 0 HA PRO A 10 0.824 -24.917 -8.250 1.00 5.17 H new ATOM 0 HB2 PRO A 10 -1.662 -23.723 -8.287 1.00 5.68 H new ATOM 0 HB3 PRO A 10 -0.996 -24.429 -9.746 1.00 5.68 H new ATOM 0 HG2 PRO A 10 -3.100 -25.502 -7.915 1.00 5.90 H new ATOM 0 HG3 PRO A 10 -2.938 -25.695 -9.649 1.00 5.90 H new ATOM 0 HD2 PRO A 10 -2.243 -27.631 -7.746 1.00 5.66 H new ATOM 0 HD3 PRO A 10 -1.715 -27.633 -9.417 1.00 5.66 H new ATOM 139 N THR A 11 -0.200 -25.748 -5.514 1.00 4.28 N ATOM 140 CA THR A 11 -0.305 -25.391 -4.066 1.00 3.96 C ATOM 141 C THR A 11 0.852 -24.474 -3.672 1.00 3.58 C ATOM 142 O THR A 11 0.654 -23.329 -3.307 1.00 3.52 O ATOM 143 CB THR A 11 -0.211 -26.728 -3.315 1.00 3.78 C ATOM 144 OG1 THR A 11 0.865 -27.502 -3.838 1.00 3.62 O ATOM 145 CG2 THR A 11 -1.524 -27.502 -3.463 1.00 4.21 C ATOM 0 H THR A 11 -0.070 -26.742 -5.702 1.00 4.28 H new ATOM 0 HA THR A 11 -1.229 -24.862 -3.835 1.00 3.96 H new ATOM 0 HB THR A 11 -0.030 -26.530 -2.259 1.00 3.78 H new ATOM 0 HG1 THR A 11 0.507 -28.245 -4.367 1.00 3.62 H new ATOM 0 HG21 THR A 11 -1.450 -28.449 -2.928 1.00 4.21 H new ATOM 0 HG22 THR A 11 -2.342 -26.913 -3.048 1.00 4.21 H new ATOM 0 HG23 THR A 11 -1.715 -27.695 -4.518 1.00 4.21 H new ATOM 153 N THR A 12 2.059 -24.964 -3.756 1.00 3.36 N ATOM 154 CA THR A 12 3.249 -24.129 -3.404 1.00 3.06 C ATOM 155 C THR A 12 3.348 -22.925 -4.342 1.00 3.17 C ATOM 156 O THR A 12 3.773 -21.852 -3.950 1.00 3.01 O ATOM 157 CB THR A 12 4.462 -25.053 -3.573 1.00 3.04 C ATOM 158 OG1 THR A 12 4.015 -26.372 -3.887 1.00 3.16 O ATOM 159 CG2 THR A 12 5.257 -25.076 -2.269 1.00 2.86 C ATOM 0 H THR A 12 2.276 -25.915 -4.056 1.00 3.36 H new ATOM 0 HA THR A 12 3.186 -23.734 -2.390 1.00 3.06 H new ATOM 0 HB THR A 12 5.096 -24.687 -4.381 1.00 3.04 H new ATOM 0 HG1 THR A 12 4.785 -26.977 -3.927 1.00 3.16 H new ATOM 0 HG21 THR A 12 6.121 -25.731 -2.381 1.00 2.86 H new ATOM 0 HG22 THR A 12 5.595 -24.067 -2.031 1.00 2.86 H new ATOM 0 HG23 THR A 12 4.623 -25.446 -1.463 1.00 2.86 H new ATOM 167 N GLY A 13 2.941 -23.091 -5.572 1.00 3.49 N ATOM 168 CA GLY A 13 2.987 -21.955 -6.542 1.00 3.68 C ATOM 169 C GLY A 13 1.957 -20.908 -6.124 1.00 3.65 C ATOM 170 O GLY A 13 2.279 -19.747 -5.948 1.00 3.49 O ATOM 0 H GLY A 13 2.577 -23.966 -5.949 1.00 3.49 H new ATOM 0 HA2 GLY A 13 3.984 -21.516 -6.562 1.00 3.68 H new ATOM 0 HA3 GLY A 13 2.775 -22.311 -7.550 1.00 3.68 H new ATOM 174 N VAL A 14 0.725 -21.316 -5.941 1.00 3.84 N ATOM 175 CA VAL A 14 -0.329 -20.349 -5.504 1.00 3.91 C ATOM 176 C VAL A 14 0.038 -19.786 -4.123 1.00 3.53 C ATOM 177 O VAL A 14 -0.164 -18.619 -3.850 1.00 3.49 O ATOM 178 CB VAL A 14 -1.630 -21.164 -5.458 1.00 4.23 C ATOM 179 CG1 VAL A 14 -2.695 -20.426 -4.644 1.00 4.33 C ATOM 180 CG2 VAL A 14 -2.153 -21.371 -6.884 1.00 4.66 C ATOM 0 H VAL A 14 0.404 -22.275 -6.075 1.00 3.84 H new ATOM 0 HA VAL A 14 -0.431 -19.496 -6.175 1.00 3.91 H new ATOM 0 HB VAL A 14 -1.422 -22.126 -4.989 1.00 4.23 H new ATOM 0 HG11 VAL A 14 -3.610 -21.017 -4.622 1.00 4.33 H new ATOM 0 HG12 VAL A 14 -2.335 -20.275 -3.626 1.00 4.33 H new ATOM 0 HG13 VAL A 14 -2.899 -19.459 -5.104 1.00 4.33 H new ATOM 0 HG21 VAL A 14 -3.076 -21.949 -6.853 1.00 4.66 H new ATOM 0 HG22 VAL A 14 -2.347 -20.402 -7.345 1.00 4.66 H new ATOM 0 HG23 VAL A 14 -1.408 -21.909 -7.470 1.00 4.66 H new ATOM 190 N VAL A 15 0.608 -20.594 -3.258 1.00 3.28 N ATOM 191 CA VAL A 15 1.011 -20.072 -1.912 1.00 2.98 C ATOM 192 C VAL A 15 2.161 -19.074 -2.084 1.00 2.72 C ATOM 193 O VAL A 15 2.173 -18.016 -1.484 1.00 2.58 O ATOM 194 CB VAL A 15 1.454 -21.298 -1.093 1.00 2.88 C ATOM 195 CG1 VAL A 15 2.204 -20.842 0.164 1.00 2.61 C ATOM 196 CG2 VAL A 15 0.223 -22.110 -0.670 1.00 3.21 C ATOM 0 H VAL A 15 0.809 -21.580 -3.423 1.00 3.28 H new ATOM 0 HA VAL A 15 0.198 -19.551 -1.407 1.00 2.98 H new ATOM 0 HB VAL A 15 2.110 -21.914 -1.708 1.00 2.88 H new ATOM 0 HG11 VAL A 15 2.515 -21.714 0.739 1.00 2.61 H new ATOM 0 HG12 VAL A 15 3.083 -20.266 -0.126 1.00 2.61 H new ATOM 0 HG13 VAL A 15 1.548 -20.220 0.774 1.00 2.61 H new ATOM 0 HG21 VAL A 15 0.541 -22.977 -0.091 1.00 3.21 H new ATOM 0 HG22 VAL A 15 -0.432 -21.487 -0.061 1.00 3.21 H new ATOM 0 HG23 VAL A 15 -0.315 -22.444 -1.557 1.00 3.21 H new ATOM 206 N THR A 16 3.113 -19.400 -2.915 1.00 2.72 N ATOM 207 CA THR A 16 4.262 -18.468 -3.152 1.00 2.59 C ATOM 208 C THR A 16 3.749 -17.135 -3.690 1.00 2.68 C ATOM 209 O THR A 16 4.061 -16.084 -3.163 1.00 2.49 O ATOM 210 CB THR A 16 5.159 -19.157 -4.186 1.00 2.83 C ATOM 211 OG1 THR A 16 5.672 -20.358 -3.632 1.00 2.76 O ATOM 212 CG2 THR A 16 6.323 -18.235 -4.556 1.00 2.91 C ATOM 0 H THR A 16 3.148 -20.272 -3.443 1.00 2.72 H new ATOM 0 HA THR A 16 4.809 -18.258 -2.233 1.00 2.59 H new ATOM 0 HB THR A 16 4.576 -19.380 -5.080 1.00 2.83 H new ATOM 0 HG1 THR A 16 5.264 -21.127 -4.083 1.00 2.76 H new ATOM 0 HG21 THR A 16 6.958 -18.728 -5.291 1.00 2.91 H new ATOM 0 HG22 THR A 16 5.933 -17.308 -4.977 1.00 2.91 H new ATOM 0 HG23 THR A 16 6.907 -18.011 -3.664 1.00 2.91 H new ATOM 220 N VAL A 17 2.954 -17.171 -4.726 1.00 3.01 N ATOM 221 CA VAL A 17 2.414 -15.897 -5.282 1.00 3.15 C ATOM 222 C VAL A 17 1.506 -15.222 -4.249 1.00 3.02 C ATOM 223 O VAL A 17 1.534 -14.022 -4.101 1.00 2.94 O ATOM 224 CB VAL A 17 1.647 -16.258 -6.561 1.00 3.60 C ATOM 225 CG1 VAL A 17 2.588 -16.942 -7.557 1.00 3.80 C ATOM 226 CG2 VAL A 17 0.477 -17.193 -6.247 1.00 3.75 C ATOM 0 H VAL A 17 2.657 -18.020 -5.208 1.00 3.01 H new ATOM 0 HA VAL A 17 3.210 -15.190 -5.515 1.00 3.15 H new ATOM 0 HB VAL A 17 1.256 -15.338 -6.995 1.00 3.60 H new ATOM 0 HG11 VAL A 17 2.037 -17.196 -8.463 1.00 3.80 H new ATOM 0 HG12 VAL A 17 3.406 -16.267 -7.807 1.00 3.80 H new ATOM 0 HG13 VAL A 17 2.991 -17.851 -7.111 1.00 3.80 H new ATOM 0 HG21 VAL A 17 -0.052 -17.436 -7.168 1.00 3.75 H new ATOM 0 HG22 VAL A 17 0.855 -18.109 -5.794 1.00 3.75 H new ATOM 0 HG23 VAL A 17 -0.206 -16.701 -5.555 1.00 3.75 H new ATOM 236 N ILE A 18 0.725 -15.973 -3.505 1.00 3.05 N ATOM 237 CA ILE A 18 -0.139 -15.328 -2.464 1.00 3.05 C ATOM 238 C ILE A 18 0.748 -14.699 -1.393 1.00 2.67 C ATOM 239 O ILE A 18 0.469 -13.625 -0.906 1.00 2.63 O ATOM 240 CB ILE A 18 -1.020 -16.453 -1.893 1.00 3.27 C ATOM 241 CG1 ILE A 18 -2.207 -16.701 -2.830 1.00 3.72 C ATOM 242 CG2 ILE A 18 -1.561 -16.061 -0.513 1.00 3.30 C ATOM 243 CD1 ILE A 18 -2.975 -17.941 -2.362 1.00 3.95 C ATOM 0 H ILE A 18 0.649 -16.988 -3.572 1.00 3.05 H new ATOM 0 HA ILE A 18 -0.762 -14.530 -2.867 1.00 3.05 H new ATOM 0 HB ILE A 18 -0.414 -17.354 -1.803 1.00 3.27 H new ATOM 0 HG12 ILE A 18 -2.866 -15.833 -2.837 1.00 3.72 H new ATOM 0 HG13 ILE A 18 -1.855 -16.842 -3.852 1.00 3.72 H new ATOM 0 HG21 ILE A 18 -2.182 -16.867 -0.123 1.00 3.30 H new ATOM 0 HG22 ILE A 18 -0.728 -15.883 0.167 1.00 3.30 H new ATOM 0 HG23 ILE A 18 -2.158 -15.153 -0.601 1.00 3.30 H new ATOM 0 HD11 ILE A 18 -3.820 -18.119 -3.028 1.00 3.95 H new ATOM 0 HD12 ILE A 18 -2.313 -18.807 -2.377 1.00 3.95 H new ATOM 0 HD13 ILE A 18 -3.340 -17.781 -1.347 1.00 3.95 H new ATOM 255 N VAL A 19 1.828 -15.340 -1.043 1.00 2.45 N ATOM 256 CA VAL A 19 2.741 -14.745 -0.022 1.00 2.16 C ATOM 257 C VAL A 19 3.400 -13.486 -0.594 1.00 2.04 C ATOM 258 O VAL A 19 3.408 -12.449 0.045 1.00 1.95 O ATOM 259 CB VAL A 19 3.779 -15.829 0.293 1.00 2.07 C ATOM 260 CG1 VAL A 19 4.940 -15.219 1.087 1.00 1.95 C ATOM 261 CG2 VAL A 19 3.126 -16.930 1.132 1.00 2.25 C ATOM 0 H VAL A 19 2.118 -16.244 -1.415 1.00 2.45 H new ATOM 0 HA VAL A 19 2.214 -14.444 0.883 1.00 2.16 H new ATOM 0 HB VAL A 19 4.155 -16.247 -0.641 1.00 2.07 H new ATOM 0 HG11 VAL A 19 5.675 -15.993 1.309 1.00 1.95 H new ATOM 0 HG12 VAL A 19 5.409 -14.431 0.498 1.00 1.95 H new ATOM 0 HG13 VAL A 19 4.562 -14.799 2.019 1.00 1.95 H new ATOM 0 HG21 VAL A 19 3.863 -17.701 1.357 1.00 2.25 H new ATOM 0 HG22 VAL A 19 2.751 -16.504 2.063 1.00 2.25 H new ATOM 0 HG23 VAL A 19 2.299 -17.370 0.575 1.00 2.25 H new ATOM 271 N ILE A 20 3.936 -13.544 -1.793 1.00 2.14 N ATOM 272 CA ILE A 20 4.562 -12.318 -2.365 1.00 2.15 C ATOM 273 C ILE A 20 3.483 -11.267 -2.659 1.00 2.24 C ATOM 274 O ILE A 20 3.702 -10.085 -2.471 1.00 2.13 O ATOM 275 CB ILE A 20 5.323 -12.750 -3.632 1.00 2.42 C ATOM 276 CG1 ILE A 20 4.386 -13.401 -4.649 1.00 2.72 C ATOM 277 CG2 ILE A 20 6.424 -13.747 -3.263 1.00 2.42 C ATOM 278 CD1 ILE A 20 4.807 -12.986 -6.062 1.00 3.13 C ATOM 0 H ILE A 20 3.965 -14.373 -2.387 1.00 2.14 H new ATOM 0 HA ILE A 20 5.259 -11.855 -1.666 1.00 2.15 H new ATOM 0 HB ILE A 20 5.758 -11.856 -4.079 1.00 2.42 H new ATOM 0 HG12 ILE A 20 4.421 -14.486 -4.551 1.00 2.72 H new ATOM 0 HG13 ILE A 20 3.357 -13.097 -4.459 1.00 2.72 H new ATOM 0 HG21 ILE A 20 6.959 -14.049 -4.164 1.00 2.42 H new ATOM 0 HG22 ILE A 20 7.120 -13.279 -2.567 1.00 2.42 H new ATOM 0 HG23 ILE A 20 5.978 -14.625 -2.795 1.00 2.42 H new ATOM 0 HD11 ILE A 20 4.141 -13.448 -6.791 1.00 3.13 H new ATOM 0 HD12 ILE A 20 4.750 -11.901 -6.155 1.00 3.13 H new ATOM 0 HD13 ILE A 20 5.830 -13.312 -6.247 1.00 3.13 H new ATOM 290 N LEU A 21 2.304 -11.676 -3.066 1.00 2.48 N ATOM 291 CA LEU A 21 1.222 -10.670 -3.309 1.00 2.67 C ATOM 292 C LEU A 21 0.760 -10.120 -1.950 1.00 2.52 C ATOM 293 O LEU A 21 0.593 -8.924 -1.789 1.00 2.50 O ATOM 294 CB LEU A 21 0.108 -11.414 -4.083 1.00 3.06 C ATOM 295 CG LEU A 21 -1.176 -11.550 -3.254 1.00 3.21 C ATOM 296 CD1 LEU A 21 -1.923 -10.215 -3.224 1.00 3.38 C ATOM 297 CD2 LEU A 21 -2.077 -12.605 -3.898 1.00 3.56 C ATOM 0 H LEU A 21 2.047 -12.648 -3.238 1.00 2.48 H new ATOM 0 HA LEU A 21 1.544 -9.812 -3.899 1.00 2.67 H new ATOM 0 HB2 LEU A 21 -0.112 -10.878 -5.006 1.00 3.06 H new ATOM 0 HB3 LEU A 21 0.463 -12.405 -4.366 1.00 3.06 H new ATOM 0 HG LEU A 21 -0.916 -11.843 -2.237 1.00 3.21 H new ATOM 0 HD11 LEU A 21 -2.833 -10.321 -2.634 1.00 3.38 H new ATOM 0 HD12 LEU A 21 -1.286 -9.452 -2.776 1.00 3.38 H new ATOM 0 HD13 LEU A 21 -2.182 -9.920 -4.241 1.00 3.38 H new ATOM 0 HD21 LEU A 21 -2.992 -12.707 -3.314 1.00 3.56 H new ATOM 0 HD22 LEU A 21 -2.327 -12.299 -4.914 1.00 3.56 H new ATOM 0 HD23 LEU A 21 -1.555 -13.562 -3.925 1.00 3.56 H new ATOM 309 N ILE A 22 0.597 -10.972 -0.954 1.00 2.47 N ATOM 310 CA ILE A 22 0.196 -10.462 0.396 1.00 2.46 C ATOM 311 C ILE A 22 1.281 -9.502 0.893 1.00 2.15 C ATOM 312 O ILE A 22 0.997 -8.431 1.394 1.00 2.19 O ATOM 313 CB ILE A 22 0.084 -11.702 1.303 1.00 2.53 C ATOM 314 CG1 ILE A 22 -1.288 -12.358 1.104 1.00 2.92 C ATOM 315 CG2 ILE A 22 0.229 -11.296 2.774 1.00 2.56 C ATOM 316 CD1 ILE A 22 -1.339 -13.689 1.864 1.00 3.06 C ATOM 0 H ILE A 22 0.723 -11.982 -1.021 1.00 2.47 H new ATOM 0 HA ILE A 22 -0.749 -9.919 0.383 1.00 2.46 H new ATOM 0 HB ILE A 22 0.877 -12.402 1.040 1.00 2.53 H new ATOM 0 HG12 ILE A 22 -2.075 -11.694 1.461 1.00 2.92 H new ATOM 0 HG13 ILE A 22 -1.471 -12.527 0.043 1.00 2.92 H new ATOM 0 HG21 ILE A 22 0.148 -12.181 3.405 1.00 2.56 H new ATOM 0 HG22 ILE A 22 1.201 -10.828 2.928 1.00 2.56 H new ATOM 0 HG23 ILE A 22 -0.559 -10.590 3.036 1.00 2.56 H new ATOM 0 HD11 ILE A 22 -2.315 -14.153 1.721 1.00 3.06 H new ATOM 0 HD12 ILE A 22 -0.562 -14.354 1.486 1.00 3.06 H new ATOM 0 HD13 ILE A 22 -1.176 -13.508 2.926 1.00 3.06 H new ATOM 328 N ALA A 23 2.524 -9.872 0.725 1.00 1.92 N ATOM 329 CA ALA A 23 3.642 -8.978 1.151 1.00 1.72 C ATOM 330 C ALA A 23 3.612 -7.684 0.329 1.00 1.67 C ATOM 331 O ALA A 23 3.705 -6.602 0.871 1.00 1.61 O ATOM 332 CB ALA A 23 4.922 -9.773 0.879 1.00 1.67 C ATOM 0 H ALA A 23 2.814 -10.757 0.310 1.00 1.92 H new ATOM 0 HA ALA A 23 3.571 -8.690 2.200 1.00 1.72 H new ATOM 0 HB1 ALA A 23 5.788 -9.178 1.168 1.00 1.67 H new ATOM 0 HB2 ALA A 23 4.907 -10.697 1.458 1.00 1.67 H new ATOM 0 HB3 ALA A 23 4.984 -10.011 -0.183 1.00 1.67 H new ATOM 338 N ILE A 24 3.459 -7.781 -0.973 1.00 1.81 N ATOM 339 CA ILE A 24 3.396 -6.541 -1.814 1.00 1.90 C ATOM 340 C ILE A 24 2.215 -5.680 -1.347 1.00 1.95 C ATOM 341 O ILE A 24 2.348 -4.489 -1.137 1.00 1.87 O ATOM 342 CB ILE A 24 3.197 -7.035 -3.255 1.00 2.21 C ATOM 343 CG1 ILE A 24 4.542 -7.508 -3.827 1.00 2.32 C ATOM 344 CG2 ILE A 24 2.644 -5.906 -4.138 1.00 2.47 C ATOM 345 CD1 ILE A 24 5.555 -6.355 -3.826 1.00 2.51 C ATOM 0 H ILE A 24 3.376 -8.659 -1.486 1.00 1.81 H new ATOM 0 HA ILE A 24 4.293 -5.926 -1.738 1.00 1.90 H new ATOM 0 HB ILE A 24 2.485 -7.861 -3.245 1.00 2.21 H new ATOM 0 HG12 ILE A 24 4.925 -8.339 -3.234 1.00 2.32 H new ATOM 0 HG13 ILE A 24 4.403 -7.879 -4.843 1.00 2.32 H new ATOM 0 HG21 ILE A 24 2.509 -6.273 -5.155 1.00 2.47 H new ATOM 0 HG22 ILE A 24 1.685 -5.571 -3.743 1.00 2.47 H new ATOM 0 HG23 ILE A 24 3.345 -5.072 -4.143 1.00 2.47 H new ATOM 0 HD11 ILE A 24 6.504 -6.704 -4.234 1.00 2.51 H new ATOM 0 HD12 ILE A 24 5.176 -5.537 -4.438 1.00 2.51 H new ATOM 0 HD13 ILE A 24 5.706 -6.004 -2.805 1.00 2.51 H new ATOM 357 N ALA A 25 1.064 -6.283 -1.165 1.00 2.16 N ATOM 358 CA ALA A 25 -0.118 -5.507 -0.687 1.00 2.37 C ATOM 359 C ALA A 25 0.171 -4.936 0.700 1.00 2.22 C ATOM 360 O ALA A 25 -0.095 -3.781 0.974 1.00 2.27 O ATOM 361 CB ALA A 25 -1.270 -6.513 -0.644 1.00 2.69 C ATOM 0 H ALA A 25 0.895 -7.276 -1.327 1.00 2.16 H new ATOM 0 HA ALA A 25 -0.358 -4.663 -1.334 1.00 2.37 H new ATOM 0 HB1 ALA A 25 -2.176 -6.014 -0.301 1.00 2.69 H new ATOM 0 HB2 ALA A 25 -1.436 -6.919 -1.642 1.00 2.69 H new ATOM 0 HB3 ALA A 25 -1.020 -7.323 0.041 1.00 2.69 H new ATOM 367 N ALA A 26 0.743 -5.729 1.568 1.00 2.12 N ATOM 368 CA ALA A 26 1.081 -5.222 2.930 1.00 2.14 C ATOM 369 C ALA A 26 2.094 -4.077 2.807 1.00 1.89 C ATOM 370 O ALA A 26 1.965 -3.059 3.454 1.00 1.99 O ATOM 371 CB ALA A 26 1.682 -6.417 3.674 1.00 2.15 C ATOM 0 H ALA A 26 0.990 -6.703 1.393 1.00 2.12 H new ATOM 0 HA ALA A 26 0.214 -4.830 3.462 1.00 2.14 H new ATOM 0 HB1 ALA A 26 1.954 -6.116 4.686 1.00 2.15 H new ATOM 0 HB2 ALA A 26 0.949 -7.223 3.720 1.00 2.15 H new ATOM 0 HB3 ALA A 26 2.571 -6.764 3.147 1.00 2.15 H new ATOM 377 N LEU A 27 3.080 -4.226 1.953 1.00 1.66 N ATOM 378 CA LEU A 27 4.078 -3.134 1.756 1.00 1.52 C ATOM 379 C LEU A 27 3.356 -1.905 1.190 1.00 1.54 C ATOM 380 O LEU A 27 3.528 -0.798 1.666 1.00 1.53 O ATOM 381 CB LEU A 27 5.095 -3.692 0.749 1.00 1.47 C ATOM 382 CG LEU A 27 6.001 -2.564 0.249 1.00 1.51 C ATOM 383 CD1 LEU A 27 7.461 -3.018 0.287 1.00 1.82 C ATOM 384 CD2 LEU A 27 5.623 -2.198 -1.188 1.00 1.75 C ATOM 0 H LEU A 27 3.234 -5.059 1.385 1.00 1.66 H new ATOM 0 HA LEU A 27 4.572 -2.830 2.679 1.00 1.52 H new ATOM 0 HB2 LEU A 27 5.695 -4.472 1.218 1.00 1.47 H new ATOM 0 HB3 LEU A 27 4.574 -4.152 -0.091 1.00 1.47 H new ATOM 0 HG LEU A 27 5.874 -1.694 0.893 1.00 1.51 H new ATOM 0 HD11 LEU A 27 8.102 -2.212 -0.070 1.00 1.82 H new ATOM 0 HD12 LEU A 27 7.736 -3.274 1.310 1.00 1.82 H new ATOM 0 HD13 LEU A 27 7.587 -3.892 -0.352 1.00 1.82 H new ATOM 0 HD21 LEU A 27 6.270 -1.395 -1.541 1.00 1.75 H new ATOM 0 HD22 LEU A 27 5.745 -3.071 -1.830 1.00 1.75 H new ATOM 0 HD23 LEU A 27 4.585 -1.868 -1.218 1.00 1.75 H new ATOM 396 N GLY A 28 2.522 -2.105 0.193 1.00 1.66 N ATOM 397 CA GLY A 28 1.757 -0.964 -0.394 1.00 1.80 C ATOM 398 C GLY A 28 0.915 -0.320 0.708 1.00 1.93 C ATOM 399 O GLY A 28 0.885 0.888 0.852 1.00 1.92 O ATOM 0 H GLY A 28 2.341 -3.012 -0.237 1.00 1.66 H new ATOM 0 HA2 GLY A 28 2.441 -0.232 -0.824 1.00 1.80 H new ATOM 0 HA3 GLY A 28 1.116 -1.315 -1.203 1.00 1.80 H new ATOM 403 N ALA A 29 0.251 -1.123 1.507 1.00 2.12 N ATOM 404 CA ALA A 29 -0.567 -0.563 2.624 1.00 2.38 C ATOM 405 C ALA A 29 0.351 0.141 3.625 1.00 2.28 C ATOM 406 O ALA A 29 0.076 1.240 4.067 1.00 2.40 O ATOM 407 CB ALA A 29 -1.260 -1.771 3.262 1.00 2.65 C ATOM 0 H ALA A 29 0.242 -2.140 1.432 1.00 2.12 H new ATOM 0 HA ALA A 29 -1.296 0.174 2.286 1.00 2.38 H new ATOM 0 HB1 ALA A 29 -1.881 -1.437 4.093 1.00 2.65 H new ATOM 0 HB2 ALA A 29 -1.885 -2.267 2.519 1.00 2.65 H new ATOM 0 HB3 ALA A 29 -0.508 -2.470 3.629 1.00 2.65 H new ATOM 413 N LEU A 30 1.455 -0.475 3.952 1.00 2.11 N ATOM 414 CA LEU A 30 2.428 0.160 4.894 1.00 2.14 C ATOM 415 C LEU A 30 2.883 1.503 4.312 1.00 1.97 C ATOM 416 O LEU A 30 2.980 2.492 5.011 1.00 2.12 O ATOM 417 CB LEU A 30 3.603 -0.823 4.987 1.00 2.05 C ATOM 418 CG LEU A 30 3.337 -1.849 6.093 1.00 2.38 C ATOM 419 CD1 LEU A 30 4.172 -3.106 5.834 1.00 2.33 C ATOM 420 CD2 LEU A 30 3.727 -1.249 7.446 1.00 2.73 C ATOM 0 H LEU A 30 1.728 -1.395 3.607 1.00 2.11 H new ATOM 0 HA LEU A 30 2.001 0.356 5.878 1.00 2.14 H new ATOM 0 HB2 LEU A 30 3.740 -1.331 4.033 1.00 2.05 H new ATOM 0 HB3 LEU A 30 4.526 -0.282 5.195 1.00 2.05 H new ATOM 0 HG LEU A 30 2.279 -2.111 6.101 1.00 2.38 H new ATOM 0 HD11 LEU A 30 3.983 -3.837 6.621 1.00 2.33 H new ATOM 0 HD12 LEU A 30 3.898 -3.533 4.869 1.00 2.33 H new ATOM 0 HD13 LEU A 30 5.230 -2.845 5.828 1.00 2.33 H new ATOM 0 HD21 LEU A 30 3.539 -1.977 8.235 1.00 2.73 H new ATOM 0 HD22 LEU A 30 4.786 -0.989 7.437 1.00 2.73 H new ATOM 0 HD23 LEU A 30 3.135 -0.353 7.631 1.00 2.73 H new ATOM 432 N ILE A 31 3.135 1.546 3.024 1.00 1.71 N ATOM 433 CA ILE A 31 3.558 2.830 2.379 1.00 1.58 C ATOM 434 C ILE A 31 2.378 3.812 2.377 1.00 1.73 C ATOM 435 O ILE A 31 2.505 4.946 2.804 1.00 1.79 O ATOM 436 CB ILE A 31 3.967 2.447 0.950 1.00 1.41 C ATOM 437 CG1 ILE A 31 5.282 1.656 0.988 1.00 1.38 C ATOM 438 CG2 ILE A 31 4.153 3.708 0.096 1.00 1.44 C ATOM 439 CD1 ILE A 31 6.427 2.559 1.457 1.00 1.55 C ATOM 0 H ILE A 31 3.066 0.748 2.393 1.00 1.71 H new ATOM 0 HA ILE A 31 4.379 3.319 2.904 1.00 1.58 H new ATOM 0 HB ILE A 31 3.182 1.833 0.509 1.00 1.41 H new ATOM 0 HG12 ILE A 31 5.183 0.803 1.659 1.00 1.38 H new ATOM 0 HG13 ILE A 31 5.505 1.258 -0.002 1.00 1.38 H new ATOM 0 HG21 ILE A 31 4.443 3.423 -0.915 1.00 1.44 H new ATOM 0 HG22 ILE A 31 3.217 4.265 0.062 1.00 1.44 H new ATOM 0 HG23 ILE A 31 4.931 4.333 0.534 1.00 1.44 H new ATOM 0 HD11 ILE A 31 7.355 1.988 1.480 1.00 1.55 H new ATOM 0 HD12 ILE A 31 6.534 3.398 0.769 1.00 1.55 H new ATOM 0 HD13 ILE A 31 6.208 2.935 2.456 1.00 1.55 H new ATOM 451 N LEU A 32 1.227 3.374 1.921 1.00 1.87 N ATOM 452 CA LEU A 32 0.029 4.268 1.914 1.00 2.11 C ATOM 453 C LEU A 32 -0.243 4.779 3.335 1.00 2.32 C ATOM 454 O LEU A 32 -0.516 5.946 3.541 1.00 2.41 O ATOM 455 CB LEU A 32 -1.126 3.393 1.418 1.00 2.35 C ATOM 456 CG LEU A 32 -2.248 4.291 0.893 1.00 2.66 C ATOM 457 CD1 LEU A 32 -2.308 4.198 -0.633 1.00 2.78 C ATOM 458 CD2 LEU A 32 -3.586 3.836 1.482 1.00 3.10 C ATOM 0 H LEU A 32 1.068 2.436 1.554 1.00 1.87 H new ATOM 0 HA LEU A 32 0.165 5.143 1.279 1.00 2.11 H new ATOM 0 HB2 LEU A 32 -0.779 2.725 0.629 1.00 2.35 H new ATOM 0 HB3 LEU A 32 -1.496 2.765 2.228 1.00 2.35 H new ATOM 0 HG LEU A 32 -2.052 5.322 1.187 1.00 2.66 H new ATOM 0 HD11 LEU A 32 -3.108 4.838 -1.005 1.00 2.78 H new ATOM 0 HD12 LEU A 32 -1.357 4.523 -1.055 1.00 2.78 H new ATOM 0 HD13 LEU A 32 -2.502 3.167 -0.927 1.00 2.78 H new ATOM 0 HD21 LEU A 32 -4.385 4.476 1.108 1.00 3.10 H new ATOM 0 HD22 LEU A 32 -3.780 2.804 1.189 1.00 3.10 H new ATOM 0 HD23 LEU A 32 -3.547 3.903 2.569 1.00 3.10 H new ATOM 470 N GLY A 33 -0.149 3.914 4.315 1.00 2.44 N ATOM 471 CA GLY A 33 -0.377 4.341 5.728 1.00 2.72 C ATOM 472 C GLY A 33 0.779 5.238 6.184 1.00 2.64 C ATOM 473 O GLY A 33 0.574 6.211 6.882 1.00 2.84 O ATOM 0 H GLY A 33 0.077 2.927 4.195 1.00 2.44 H new ATOM 0 HA2 GLY A 33 -1.322 4.878 5.809 1.00 2.72 H new ATOM 0 HA3 GLY A 33 -0.451 3.467 6.376 1.00 2.72 H new ATOM 477 N CYS A 34 1.991 4.919 5.795 1.00 2.40 N ATOM 478 CA CYS A 34 3.164 5.756 6.204 1.00 2.40 C ATOM 479 C CYS A 34 3.014 7.185 5.667 1.00 2.31 C ATOM 480 O CYS A 34 3.193 8.144 6.392 1.00 2.47 O ATOM 481 CB CYS A 34 4.386 5.075 5.582 1.00 2.22 C ATOM 482 SG CYS A 34 5.898 5.869 6.184 1.00 2.43 S ATOM 0 H CYS A 34 2.219 4.114 5.211 1.00 2.40 H new ATOM 0 HA CYS A 34 3.251 5.832 7.288 1.00 2.40 H new ATOM 0 HB2 CYS A 34 4.393 4.015 5.838 1.00 2.22 H new ATOM 0 HB3 CYS A 34 4.337 5.140 4.495 1.00 2.22 H new ATOM 0 HG CYS A 34 6.934 5.287 5.656 1.00 2.43 H new ATOM 488 N TRP A 35 2.687 7.334 4.404 1.00 2.07 N ATOM 489 CA TRP A 35 2.523 8.711 3.830 1.00 1.99 C ATOM 490 C TRP A 35 1.877 8.658 2.431 1.00 1.85 C ATOM 491 O TRP A 35 2.321 9.323 1.514 1.00 1.72 O ATOM 492 CB TRP A 35 3.946 9.279 3.751 1.00 1.93 C ATOM 493 CG TRP A 35 3.978 10.660 4.340 1.00 2.02 C ATOM 494 CD1 TRP A 35 4.985 11.160 5.095 1.00 2.10 C ATOM 495 CD2 TRP A 35 2.986 11.725 4.228 1.00 2.06 C ATOM 496 NE1 TRP A 35 4.675 12.462 5.450 1.00 2.19 N ATOM 497 CE2 TRP A 35 3.453 12.854 4.942 1.00 2.16 C ATOM 498 CE3 TRP A 35 1.739 11.822 3.585 1.00 2.04 C ATOM 499 CZ2 TRP A 35 2.711 14.033 5.015 1.00 2.23 C ATOM 500 CZ3 TRP A 35 0.990 13.008 3.655 1.00 2.12 C ATOM 501 CH2 TRP A 35 1.475 14.111 4.370 1.00 2.21 C ATOM 0 H TRP A 35 2.527 6.568 3.749 1.00 2.07 H new ATOM 0 HA TRP A 35 1.867 9.329 4.442 1.00 1.99 H new ATOM 0 HB2 TRP A 35 4.637 8.629 4.288 1.00 1.93 H new ATOM 0 HB3 TRP A 35 4.278 9.309 2.713 1.00 1.93 H new ATOM 0 HD1 TRP A 35 5.883 10.630 5.375 1.00 2.10 H new ATOM 0 HE1 TRP A 35 5.277 13.059 6.018 1.00 2.19 H new ATOM 0 HE3 TRP A 35 1.354 10.977 3.033 1.00 2.04 H new ATOM 0 HZ2 TRP A 35 3.090 14.880 5.567 1.00 2.23 H new ATOM 0 HZ3 TRP A 35 0.035 13.070 3.155 1.00 2.12 H new ATOM 0 HH2 TRP A 35 0.894 15.020 4.422 1.00 2.21 H new ATOM 512 N CYS A 36 0.826 7.879 2.275 1.00 1.95 N ATOM 513 CA CYS A 36 0.115 7.763 0.954 1.00 1.92 C ATOM 514 C CYS A 36 1.065 7.296 -0.168 1.00 1.73 C ATOM 515 O CYS A 36 1.086 6.129 -0.511 1.00 1.76 O ATOM 516 CB CYS A 36 -0.455 9.159 0.673 1.00 1.95 C ATOM 517 SG CYS A 36 -2.261 9.069 0.621 1.00 2.61 S ATOM 0 H CYS A 36 0.425 7.310 3.020 1.00 1.95 H new ATOM 0 HA CYS A 36 -0.673 7.011 0.990 1.00 1.92 H new ATOM 0 HB2 CYS A 36 -0.136 9.857 1.447 1.00 1.95 H new ATOM 0 HB3 CYS A 36 -0.071 9.537 -0.274 1.00 1.95 H new ATOM 0 HG CYS A 36 -2.748 10.251 0.385 1.00 2.61 H new ATOM 523 N TYR A 37 1.838 8.183 -0.754 1.00 1.59 N ATOM 524 CA TYR A 37 2.758 7.758 -1.857 1.00 1.49 C ATOM 525 C TYR A 37 3.991 8.682 -1.956 1.00 1.38 C ATOM 526 O TYR A 37 5.114 8.256 -1.733 1.00 1.39 O ATOM 527 CB TYR A 37 1.894 7.849 -3.120 1.00 1.56 C ATOM 528 CG TYR A 37 2.506 7.018 -4.223 1.00 1.98 C ATOM 529 CD1 TYR A 37 2.530 5.621 -4.118 1.00 2.63 C ATOM 530 CD2 TYR A 37 3.051 7.642 -5.349 1.00 2.26 C ATOM 531 CE1 TYR A 37 3.100 4.853 -5.140 1.00 3.28 C ATOM 532 CE2 TYR A 37 3.620 6.872 -6.369 1.00 2.95 C ATOM 533 CZ TYR A 37 3.643 5.478 -6.264 1.00 3.37 C ATOM 534 OH TYR A 37 4.201 4.720 -7.270 1.00 4.16 O ATOM 0 H TYR A 37 1.871 9.175 -0.518 1.00 1.59 H new ATOM 0 HA TYR A 37 3.161 6.758 -1.696 1.00 1.49 H new ATOM 0 HB2 TYR A 37 0.884 7.498 -2.906 1.00 1.56 H new ATOM 0 HB3 TYR A 37 1.810 8.888 -3.439 1.00 1.56 H new ATOM 0 HD1 TYR A 37 2.109 5.137 -3.249 1.00 2.63 H new ATOM 0 HD2 TYR A 37 3.033 8.719 -5.431 1.00 2.26 H new ATOM 0 HE1 TYR A 37 3.120 3.776 -5.059 1.00 3.28 H new ATOM 0 HE2 TYR A 37 4.042 7.355 -7.238 1.00 2.95 H new ATOM 0 HH TYR A 37 4.532 5.310 -7.979 1.00 4.16 H new ATOM 544 N LEU A 38 3.802 9.936 -2.288 1.00 1.39 N ATOM 545 CA LEU A 38 4.976 10.863 -2.398 1.00 1.39 C ATOM 546 C LEU A 38 5.000 11.877 -1.241 1.00 1.45 C ATOM 547 O LEU A 38 5.681 12.880 -1.317 1.00 1.52 O ATOM 548 CB LEU A 38 4.820 11.565 -3.761 1.00 1.40 C ATOM 549 CG LEU A 38 3.555 12.429 -3.785 1.00 1.41 C ATOM 550 CD1 LEU A 38 3.929 13.873 -4.120 1.00 1.56 C ATOM 551 CD2 LEU A 38 2.595 11.901 -4.854 1.00 1.46 C ATOM 0 H LEU A 38 2.894 10.357 -2.486 1.00 1.39 H new ATOM 0 HA LEU A 38 5.921 10.323 -2.334 1.00 1.39 H new ATOM 0 HB2 LEU A 38 5.694 12.186 -3.958 1.00 1.40 H new ATOM 0 HB3 LEU A 38 4.773 10.820 -4.556 1.00 1.40 H new ATOM 0 HG LEU A 38 3.075 12.390 -2.807 1.00 1.41 H new ATOM 0 HD11 LEU A 38 3.029 14.487 -4.137 1.00 1.56 H new ATOM 0 HD12 LEU A 38 4.615 14.256 -3.365 1.00 1.56 H new ATOM 0 HD13 LEU A 38 4.410 13.907 -5.098 1.00 1.56 H new ATOM 0 HD21 LEU A 38 1.695 12.516 -4.871 1.00 1.46 H new ATOM 0 HD22 LEU A 38 3.080 11.940 -5.830 1.00 1.46 H new ATOM 0 HD23 LEU A 38 2.326 10.870 -4.624 1.00 1.46 H new ATOM 563 N ARG A 39 4.271 11.605 -0.173 1.00 1.51 N ATOM 564 CA ARG A 39 4.220 12.522 1.023 1.00 1.68 C ATOM 565 C ARG A 39 4.428 13.996 0.643 1.00 1.69 C ATOM 566 O ARG A 39 5.239 14.694 1.225 1.00 1.83 O ATOM 567 CB ARG A 39 5.314 12.020 1.973 1.00 1.81 C ATOM 568 CG ARG A 39 6.710 12.197 1.365 1.00 1.84 C ATOM 569 CD ARG A 39 7.700 11.303 2.116 1.00 1.90 C ATOM 570 NE ARG A 39 8.300 10.426 1.066 1.00 1.92 N ATOM 571 CZ ARG A 39 7.610 9.457 0.555 1.00 1.81 C ATOM 572 NH1 ARG A 39 7.367 8.399 1.247 1.00 2.62 N ATOM 573 NH2 ARG A 39 7.190 9.544 -0.662 1.00 1.33 N ATOM 0 H ARG A 39 3.697 10.767 -0.080 1.00 1.51 H new ATOM 0 HA ARG A 39 3.236 12.495 1.492 1.00 1.68 H new ATOM 0 HB2 ARG A 39 5.255 12.563 2.916 1.00 1.81 H new ATOM 0 HB3 ARG A 39 5.146 10.967 2.200 1.00 1.81 H new ATOM 0 HG2 ARG A 39 6.695 11.936 0.307 1.00 1.84 H new ATOM 0 HG3 ARG A 39 7.020 13.240 1.432 1.00 1.84 H new ATOM 0 HD2 ARG A 39 8.464 11.896 2.619 1.00 1.90 H new ATOM 0 HD3 ARG A 39 7.197 10.714 2.883 1.00 1.90 H new ATOM 0 HE ARG A 39 9.256 10.591 0.751 1.00 1.92 H new ATOM 0 HH11 ARG A 39 7.718 8.322 2.201 1.00 2.62 H new ATOM 0 HH12 ARG A 39 6.823 7.638 0.841 1.00 2.62 H new ATOM 0 HH21 ARG A 39 7.402 10.373 -1.217 1.00 1.33 H new ATOM 0 HH22 ARG A 39 6.646 8.783 -1.069 1.00 1.33 H new ATOM 587 N LEU A 40 3.681 14.463 -0.322 1.00 1.61 N ATOM 588 CA LEU A 40 3.780 15.888 -0.778 1.00 1.69 C ATOM 589 C LEU A 40 5.241 16.347 -0.878 1.00 1.81 C ATOM 590 O LEU A 40 5.604 17.409 -0.403 1.00 1.99 O ATOM 591 CB LEU A 40 3.014 16.689 0.276 1.00 1.80 C ATOM 592 CG LEU A 40 1.533 16.740 -0.105 1.00 1.69 C ATOM 593 CD1 LEU A 40 0.693 16.981 1.147 1.00 1.87 C ATOM 594 CD2 LEU A 40 1.300 17.881 -1.097 1.00 1.75 C ATOM 0 H LEU A 40 2.990 13.907 -0.826 1.00 1.61 H new ATOM 0 HA LEU A 40 3.366 16.025 -1.777 1.00 1.69 H new ATOM 0 HB2 LEU A 40 3.133 16.229 1.257 1.00 1.80 H new ATOM 0 HB3 LEU A 40 3.418 17.699 0.347 1.00 1.80 H new ATOM 0 HG LEU A 40 1.244 15.794 -0.562 1.00 1.69 H new ATOM 0 HD11 LEU A 40 -0.362 17.017 0.876 1.00 1.87 H new ATOM 0 HD12 LEU A 40 0.857 16.171 1.857 1.00 1.87 H new ATOM 0 HD13 LEU A 40 0.983 17.927 1.603 1.00 1.87 H new ATOM 0 HD21 LEU A 40 0.245 17.917 -1.368 1.00 1.75 H new ATOM 0 HD22 LEU A 40 1.590 18.827 -0.639 1.00 1.75 H new ATOM 0 HD23 LEU A 40 1.899 17.713 -1.992 1.00 1.75 H new ATOM 606 N GLN A 41 6.081 15.565 -1.511 1.00 1.77 N ATOM 607 CA GLN A 41 7.525 15.954 -1.658 1.00 1.91 C ATOM 608 C GLN A 41 7.696 17.109 -2.673 1.00 2.06 C ATOM 609 O GLN A 41 8.597 17.098 -3.493 1.00 2.17 O ATOM 610 CB GLN A 41 8.215 14.683 -2.167 1.00 1.84 C ATOM 611 CG GLN A 41 8.766 13.887 -0.980 1.00 2.07 C ATOM 612 CD GLN A 41 9.491 12.641 -1.492 1.00 2.15 C ATOM 613 OE1 GLN A 41 9.041 11.532 -1.292 1.00 2.22 O ATOM 614 NE2 GLN A 41 10.603 12.776 -2.153 1.00 2.41 N ATOM 0 H GLN A 41 5.831 14.671 -1.934 1.00 1.77 H new ATOM 0 HA GLN A 41 7.947 16.314 -0.720 1.00 1.91 H new ATOM 0 HB2 GLN A 41 7.508 14.074 -2.730 1.00 1.84 H new ATOM 0 HB3 GLN A 41 9.024 14.945 -2.849 1.00 1.84 H new ATOM 0 HG2 GLN A 41 9.450 14.506 -0.400 1.00 2.07 H new ATOM 0 HG3 GLN A 41 7.953 13.599 -0.313 1.00 2.07 H new ATOM 0 HE21 GLN A 41 10.985 13.706 -2.324 1.00 2.41 H new ATOM 0 HE22 GLN A 41 11.093 11.952 -2.501 1.00 2.41 H new ATOM 623 N ARG A 42 6.844 18.104 -2.622 1.00 2.12 N ATOM 624 CA ARG A 42 6.958 19.251 -3.577 1.00 2.32 C ATOM 625 C ARG A 42 6.624 20.569 -2.868 1.00 2.51 C ATOM 626 O ARG A 42 7.472 21.430 -2.701 1.00 2.74 O ATOM 627 CB ARG A 42 5.937 18.929 -4.674 1.00 2.25 C ATOM 628 CG ARG A 42 5.663 20.175 -5.522 1.00 2.50 C ATOM 629 CD ARG A 42 6.915 20.532 -6.330 1.00 2.74 C ATOM 630 NE ARG A 42 7.308 21.891 -5.846 1.00 2.99 N ATOM 631 CZ ARG A 42 8.555 22.183 -5.658 1.00 3.21 C ATOM 632 NH1 ARG A 42 9.316 22.436 -6.675 1.00 3.50 N ATOM 633 NH2 ARG A 42 9.037 22.225 -4.457 1.00 3.18 N ATOM 0 H ARG A 42 6.072 18.171 -1.958 1.00 2.12 H new ATOM 0 HA ARG A 42 7.963 19.373 -3.980 1.00 2.32 H new ATOM 0 HB2 ARG A 42 6.313 18.125 -5.307 1.00 2.25 H new ATOM 0 HB3 ARG A 42 5.009 18.574 -4.225 1.00 2.25 H new ATOM 0 HG2 ARG A 42 4.824 19.993 -6.194 1.00 2.50 H new ATOM 0 HG3 ARG A 42 5.382 21.010 -4.880 1.00 2.50 H new ATOM 0 HD2 ARG A 42 7.712 19.807 -6.165 1.00 2.74 H new ATOM 0 HD3 ARG A 42 6.707 20.538 -7.400 1.00 2.74 H new ATOM 0 HE ARG A 42 6.590 22.592 -5.663 1.00 2.99 H new ATOM 0 HH11 ARG A 42 8.932 22.405 -7.619 1.00 3.50 H new ATOM 0 HH12 ARG A 42 10.299 22.667 -6.531 1.00 3.50 H new ATOM 0 HH21 ARG A 42 8.434 22.028 -3.658 1.00 3.18 H new ATOM 0 HH22 ARG A 42 10.020 22.455 -4.310 1.00 3.18 H new ATOM 647 N ILE A 43 5.398 20.726 -2.456 1.00 2.46 N ATOM 648 CA ILE A 43 4.973 21.972 -1.749 1.00 2.69 C ATOM 649 C ILE A 43 4.901 21.715 -0.239 1.00 2.69 C ATOM 650 O ILE A 43 5.265 22.553 0.563 1.00 2.93 O ATOM 651 CB ILE A 43 3.579 22.310 -2.299 1.00 2.66 C ATOM 652 CG1 ILE A 43 2.642 21.093 -2.255 1.00 2.38 C ATOM 653 CG2 ILE A 43 3.706 22.780 -3.742 1.00 2.78 C ATOM 654 CD1 ILE A 43 1.209 21.544 -2.559 1.00 2.41 C ATOM 0 H ILE A 43 4.659 20.034 -2.580 1.00 2.46 H new ATOM 0 HA ILE A 43 5.675 22.790 -1.910 1.00 2.69 H new ATOM 0 HB ILE A 43 3.154 23.095 -1.673 1.00 2.66 H new ATOM 0 HG12 ILE A 43 2.962 20.347 -2.982 1.00 2.38 H new ATOM 0 HG13 ILE A 43 2.686 20.621 -1.273 1.00 2.38 H new ATOM 0 HG21 ILE A 43 2.718 23.020 -4.135 1.00 2.78 H new ATOM 0 HG22 ILE A 43 4.338 23.667 -3.781 1.00 2.78 H new ATOM 0 HG23 ILE A 43 4.153 21.989 -4.344 1.00 2.78 H new ATOM 0 HD11 ILE A 43 0.542 20.682 -2.528 1.00 2.41 H new ATOM 0 HD12 ILE A 43 0.892 22.275 -1.815 1.00 2.41 H new ATOM 0 HD13 ILE A 43 1.172 21.996 -3.550 1.00 2.41 H new ATOM 666 N SER A 44 4.428 20.545 0.123 1.00 2.47 N ATOM 667 CA SER A 44 4.293 20.138 1.567 1.00 2.54 C ATOM 668 C SER A 44 3.095 20.834 2.227 1.00 2.66 C ATOM 669 O SER A 44 3.105 22.026 2.467 1.00 2.87 O ATOM 670 CB SER A 44 5.600 20.539 2.248 1.00 2.76 C ATOM 671 OG SER A 44 5.833 19.665 3.346 1.00 2.76 O ATOM 0 H SER A 44 4.120 19.833 -0.539 1.00 2.47 H new ATOM 0 HA SER A 44 4.114 19.067 1.657 1.00 2.54 H new ATOM 0 HB2 SER A 44 6.427 20.484 1.540 1.00 2.76 H new ATOM 0 HB3 SER A 44 5.544 21.571 2.593 1.00 2.76 H new ATOM 0 HG SER A 44 6.671 19.913 3.789 1.00 2.76 H new ATOM 677 N GLN A 45 2.066 20.084 2.531 1.00 2.57 N ATOM 678 CA GLN A 45 0.858 20.674 3.187 1.00 2.70 C ATOM 679 C GLN A 45 0.603 19.992 4.541 1.00 2.81 C ATOM 680 O GLN A 45 1.303 19.073 4.925 1.00 2.88 O ATOM 681 CB GLN A 45 -0.308 20.400 2.231 1.00 2.51 C ATOM 682 CG GLN A 45 -0.063 21.105 0.891 1.00 2.48 C ATOM 683 CD GLN A 45 -1.401 21.515 0.267 1.00 2.57 C ATOM 684 OE1 GLN A 45 -1.718 22.683 0.195 1.00 2.70 O ATOM 685 NE2 GLN A 45 -2.208 20.600 -0.188 1.00 2.79 N ATOM 0 H GLN A 45 2.010 19.081 2.352 1.00 2.57 H new ATOM 0 HA GLN A 45 0.983 21.740 3.377 1.00 2.70 H new ATOM 0 HB2 GLN A 45 -0.415 19.327 2.073 1.00 2.51 H new ATOM 0 HB3 GLN A 45 -1.241 20.752 2.671 1.00 2.51 H new ATOM 0 HG2 GLN A 45 0.563 21.985 1.042 1.00 2.48 H new ATOM 0 HG3 GLN A 45 0.476 20.442 0.214 1.00 2.48 H new ATOM 0 HE21 GLN A 45 -1.947 19.616 -0.130 1.00 2.79 H new ATOM 0 HE22 GLN A 45 -3.101 20.868 -0.602 1.00 2.79 H new ATOM 694 N SER A 46 -0.389 20.442 5.264 1.00 2.89 N ATOM 695 CA SER A 46 -0.701 19.835 6.593 1.00 3.06 C ATOM 696 C SER A 46 -1.405 18.482 6.420 1.00 2.90 C ATOM 697 O SER A 46 -0.992 17.486 6.980 1.00 3.05 O ATOM 698 CB SER A 46 -1.626 20.840 7.296 1.00 3.36 C ATOM 699 OG SER A 46 -2.061 21.840 6.370 1.00 3.67 O ATOM 0 H SER A 46 -1.001 21.210 4.989 1.00 2.89 H new ATOM 0 HA SER A 46 0.203 19.645 7.171 1.00 3.06 H new ATOM 0 HB2 SER A 46 -2.488 20.321 7.714 1.00 3.36 H new ATOM 0 HB3 SER A 46 -1.101 21.308 8.129 1.00 3.36 H new ATOM 0 HG SER A 46 -2.691 21.444 5.733 1.00 3.67 H new ATOM 705 N GLU A 47 -2.467 18.441 5.655 1.00 2.68 N ATOM 706 CA GLU A 47 -3.203 17.161 5.450 1.00 2.56 C ATOM 707 C GLU A 47 -3.163 16.733 3.972 1.00 2.22 C ATOM 708 O GLU A 47 -2.522 17.366 3.152 1.00 2.10 O ATOM 709 CB GLU A 47 -4.642 17.461 5.889 1.00 2.77 C ATOM 710 CG GLU A 47 -5.156 16.325 6.787 1.00 3.01 C ATOM 711 CD GLU A 47 -6.150 15.460 6.013 1.00 2.86 C ATOM 712 OE1 GLU A 47 -5.704 14.608 5.263 1.00 2.79 O ATOM 713 OE2 GLU A 47 -7.340 15.664 6.185 1.00 2.92 O ATOM 0 H GLU A 47 -2.856 19.245 5.162 1.00 2.68 H new ATOM 0 HA GLU A 47 -2.761 16.341 6.017 1.00 2.56 H new ATOM 0 HB2 GLU A 47 -4.678 18.408 6.427 1.00 2.77 H new ATOM 0 HB3 GLU A 47 -5.285 17.566 5.015 1.00 2.77 H new ATOM 0 HG2 GLU A 47 -4.321 15.715 7.131 1.00 3.01 H new ATOM 0 HG3 GLU A 47 -5.635 16.739 7.674 1.00 3.01 H new ATOM 720 N ASP A 48 -3.853 15.661 3.637 1.00 2.16 N ATOM 721 CA ASP A 48 -3.891 15.162 2.222 1.00 1.92 C ATOM 722 C ASP A 48 -2.484 14.780 1.718 1.00 1.79 C ATOM 723 O ASP A 48 -1.483 14.988 2.381 1.00 1.84 O ATOM 724 CB ASP A 48 -4.494 16.328 1.406 1.00 1.81 C ATOM 725 CG ASP A 48 -4.592 15.969 -0.082 1.00 1.67 C ATOM 726 OD1 ASP A 48 -4.964 14.842 -0.392 1.00 1.83 O ATOM 727 OD2 ASP A 48 -4.292 16.825 -0.893 1.00 1.65 O ATOM 0 H ASP A 48 -4.398 15.105 4.296 1.00 2.16 H new ATOM 0 HA ASP A 48 -4.484 14.253 2.127 1.00 1.92 H new ATOM 0 HB2 ASP A 48 -5.485 16.571 1.791 1.00 1.81 H new ATOM 0 HB3 ASP A 48 -3.877 17.219 1.528 1.00 1.81 H new ATOM 732 N GLU A 49 -2.415 14.215 0.542 1.00 1.67 N ATOM 733 CA GLU A 49 -1.106 13.812 -0.043 1.00 1.58 C ATOM 734 C GLU A 49 -1.171 13.926 -1.571 1.00 1.43 C ATOM 735 O GLU A 49 -0.432 14.678 -2.177 1.00 1.42 O ATOM 736 CB GLU A 49 -0.893 12.356 0.396 1.00 1.68 C ATOM 737 CG GLU A 49 0.607 12.093 0.595 1.00 1.69 C ATOM 738 CD GLU A 49 1.302 11.948 -0.760 1.00 1.53 C ATOM 739 OE1 GLU A 49 1.334 10.846 -1.281 1.00 1.52 O ATOM 740 OE2 GLU A 49 1.807 12.941 -1.245 1.00 1.50 O ATOM 0 H GLU A 49 -3.224 14.013 -0.046 1.00 1.67 H new ATOM 0 HA GLU A 49 -0.284 14.446 0.291 1.00 1.58 H new ATOM 0 HB2 GLU A 49 -1.433 12.162 1.323 1.00 1.68 H new ATOM 0 HB3 GLU A 49 -1.295 11.676 -0.355 1.00 1.68 H new ATOM 0 HG2 GLU A 49 1.056 12.912 1.156 1.00 1.69 H new ATOM 0 HG3 GLU A 49 0.750 11.187 1.184 1.00 1.69 H new ATOM 747 N GLU A 50 -2.063 13.198 -2.193 1.00 1.44 N ATOM 748 CA GLU A 50 -2.191 13.268 -3.677 1.00 1.43 C ATOM 749 C GLU A 50 -3.512 13.946 -4.064 1.00 1.48 C ATOM 750 O GLU A 50 -4.590 13.423 -3.819 1.00 1.52 O ATOM 751 CB GLU A 50 -2.161 11.810 -4.149 1.00 1.53 C ATOM 752 CG GLU A 50 -2.153 11.761 -5.684 1.00 1.75 C ATOM 753 CD GLU A 50 -0.820 12.285 -6.222 1.00 2.24 C ATOM 754 OE1 GLU A 50 -0.623 13.489 -6.193 1.00 2.93 O ATOM 755 OE2 GLU A 50 -0.025 11.473 -6.666 1.00 2.29 O ATOM 0 H GLU A 50 -2.710 12.556 -1.734 1.00 1.44 H new ATOM 0 HA GLU A 50 -1.395 13.854 -4.136 1.00 1.43 H new ATOM 0 HB2 GLU A 50 -1.277 11.309 -3.755 1.00 1.53 H new ATOM 0 HB3 GLU A 50 -3.029 11.275 -3.763 1.00 1.53 H new ATOM 0 HG2 GLU A 50 -2.314 10.738 -6.023 1.00 1.75 H new ATOM 0 HG3 GLU A 50 -2.974 12.360 -6.079 1.00 1.75 H new ATOM 762 N SER A 51 -3.436 15.112 -4.652 1.00 1.51 N ATOM 763 CA SER A 51 -4.676 15.843 -5.052 1.00 1.60 C ATOM 764 C SER A 51 -4.369 16.874 -6.145 1.00 1.75 C ATOM 765 O SER A 51 -4.744 16.711 -7.287 1.00 1.99 O ATOM 766 CB SER A 51 -5.155 16.532 -3.774 1.00 1.66 C ATOM 767 OG SER A 51 -4.142 17.413 -3.293 1.00 1.73 O ATOM 0 H SER A 51 -2.564 15.592 -4.873 1.00 1.51 H new ATOM 0 HA SER A 51 -5.432 15.175 -5.464 1.00 1.60 H new ATOM 0 HB2 SER A 51 -6.071 17.089 -3.971 1.00 1.66 H new ATOM 0 HB3 SER A 51 -5.392 15.787 -3.015 1.00 1.66 H new ATOM 0 HG SER A 51 -4.256 17.547 -2.329 1.00 1.73 H new ATOM 773 N ILE A 52 -3.692 17.931 -5.789 1.00 1.79 N ATOM 774 CA ILE A 52 -3.345 19.005 -6.782 1.00 2.12 C ATOM 775 C ILE A 52 -2.707 18.401 -8.042 1.00 2.22 C ATOM 776 O ILE A 52 -3.179 18.601 -9.144 1.00 2.55 O ATOM 777 CB ILE A 52 -2.333 19.911 -6.067 1.00 2.21 C ATOM 778 CG1 ILE A 52 -2.940 20.466 -4.778 1.00 2.31 C ATOM 779 CG2 ILE A 52 -1.958 21.078 -6.981 1.00 2.63 C ATOM 780 CD1 ILE A 52 -1.834 20.643 -3.730 1.00 2.48 C ATOM 0 H ILE A 52 -3.357 18.104 -4.841 1.00 1.79 H new ATOM 0 HA ILE A 52 -4.233 19.549 -7.104 1.00 2.12 H new ATOM 0 HB ILE A 52 -1.446 19.325 -5.826 1.00 2.21 H new ATOM 0 HG12 ILE A 52 -3.427 21.421 -4.974 1.00 2.31 H new ATOM 0 HG13 ILE A 52 -3.707 19.788 -4.403 1.00 2.31 H new ATOM 0 HG21 ILE A 52 -1.239 21.721 -6.473 1.00 2.63 H new ATOM 0 HG22 ILE A 52 -1.515 20.693 -7.899 1.00 2.63 H new ATOM 0 HG23 ILE A 52 -2.852 21.653 -7.223 1.00 2.63 H new ATOM 0 HD11 ILE A 52 -2.264 21.039 -2.810 1.00 2.48 H new ATOM 0 HD12 ILE A 52 -1.367 19.679 -3.527 1.00 2.48 H new ATOM 0 HD13 ILE A 52 -1.083 21.337 -4.107 1.00 2.48 H new ATOM 792 N VAL A 53 -1.633 17.674 -7.883 1.00 2.01 N ATOM 793 CA VAL A 53 -0.955 17.058 -9.073 1.00 2.22 C ATOM 794 C VAL A 53 -1.594 15.705 -9.436 1.00 2.22 C ATOM 795 O VAL A 53 -1.652 15.335 -10.594 1.00 2.50 O ATOM 796 CB VAL A 53 0.522 16.894 -8.668 1.00 2.24 C ATOM 797 CG1 VAL A 53 0.665 15.833 -7.572 1.00 2.06 C ATOM 798 CG2 VAL A 53 1.346 16.464 -9.887 1.00 2.59 C ATOM 0 H VAL A 53 -1.193 17.477 -6.984 1.00 2.01 H new ATOM 0 HA VAL A 53 -1.055 17.681 -9.962 1.00 2.22 H new ATOM 0 HB VAL A 53 0.884 17.850 -8.290 1.00 2.24 H new ATOM 0 HG11 VAL A 53 1.715 15.731 -7.299 1.00 2.06 H new ATOM 0 HG12 VAL A 53 0.090 16.135 -6.696 1.00 2.06 H new ATOM 0 HG13 VAL A 53 0.291 14.877 -7.940 1.00 2.06 H new ATOM 0 HG21 VAL A 53 2.391 16.349 -9.598 1.00 2.59 H new ATOM 0 HG22 VAL A 53 0.967 15.515 -10.266 1.00 2.59 H new ATOM 0 HG23 VAL A 53 1.267 17.223 -10.666 1.00 2.59 H new ATOM 808 N GLY A 54 -2.069 14.967 -8.463 1.00 1.98 N ATOM 809 CA GLY A 54 -2.698 13.644 -8.759 1.00 2.06 C ATOM 810 C GLY A 54 -4.209 13.723 -8.532 1.00 1.96 C ATOM 811 O GLY A 54 -4.744 13.075 -7.652 1.00 1.92 O ATOM 0 H GLY A 54 -2.048 15.224 -7.476 1.00 1.98 H new ATOM 0 HA2 GLY A 54 -2.491 13.356 -9.790 1.00 2.06 H new ATOM 0 HA3 GLY A 54 -2.265 12.875 -8.120 1.00 2.06 H new ATOM 815 N ASP A 55 -4.902 14.507 -9.316 1.00 2.01 N ATOM 816 CA ASP A 55 -6.382 14.614 -9.141 1.00 1.99 C ATOM 817 C ASP A 55 -7.102 13.593 -10.045 1.00 2.20 C ATOM 818 O ASP A 55 -6.548 12.575 -10.415 1.00 2.39 O ATOM 819 CB ASP A 55 -6.737 16.054 -9.541 1.00 2.15 C ATOM 820 CG ASP A 55 -7.969 16.526 -8.757 1.00 2.12 C ATOM 821 OD1 ASP A 55 -8.998 15.867 -8.842 1.00 2.21 O ATOM 822 OD2 ASP A 55 -7.866 17.536 -8.089 1.00 2.35 O ATOM 0 H ASP A 55 -4.510 15.076 -10.067 1.00 2.01 H new ATOM 0 HA ASP A 55 -6.692 14.398 -8.119 1.00 1.99 H new ATOM 0 HB2 ASP A 55 -5.893 16.715 -9.341 1.00 2.15 H new ATOM 0 HB3 ASP A 55 -6.935 16.105 -10.612 1.00 2.15 H new ATOM 827 N GLY A 56 -8.337 13.854 -10.380 1.00 2.24 N ATOM 828 CA GLY A 56 -9.120 12.913 -11.234 1.00 2.50 C ATOM 829 C GLY A 56 -10.528 12.813 -10.655 1.00 2.49 C ATOM 830 O GLY A 56 -11.511 12.816 -11.371 1.00 2.69 O ATOM 0 H GLY A 56 -8.844 14.692 -10.094 1.00 2.24 H new ATOM 0 HA2 GLY A 56 -9.155 13.271 -12.263 1.00 2.50 H new ATOM 0 HA3 GLY A 56 -8.646 11.932 -11.254 1.00 2.50 H new ATOM 834 N GLU A 57 -10.619 12.752 -9.353 1.00 2.32 N ATOM 835 CA GLU A 57 -11.948 12.679 -8.682 1.00 2.35 C ATOM 836 C GLU A 57 -11.946 13.575 -7.432 1.00 2.10 C ATOM 837 O GLU A 57 -12.513 13.222 -6.416 1.00 2.09 O ATOM 838 CB GLU A 57 -12.116 11.205 -8.300 1.00 2.53 C ATOM 839 CG GLU A 57 -12.941 10.489 -9.372 1.00 2.88 C ATOM 840 CD GLU A 57 -13.099 9.014 -9.003 1.00 3.10 C ATOM 841 OE1 GLU A 57 -12.252 8.232 -9.398 1.00 3.16 O ATOM 842 OE2 GLU A 57 -14.067 8.692 -8.334 1.00 3.57 O ATOM 0 H GLU A 57 -9.819 12.750 -8.720 1.00 2.32 H new ATOM 0 HA GLU A 57 -12.763 13.023 -9.319 1.00 2.35 H new ATOM 0 HB2 GLU A 57 -11.140 10.731 -8.201 1.00 2.53 H new ATOM 0 HB3 GLU A 57 -12.610 11.124 -7.332 1.00 2.53 H new ATOM 0 HG2 GLU A 57 -13.921 10.958 -9.463 1.00 2.88 H new ATOM 0 HG3 GLU A 57 -12.452 10.581 -10.342 1.00 2.88 H new ATOM 849 N THR A 58 -11.291 14.723 -7.506 1.00 1.96 N ATOM 850 CA THR A 58 -11.205 15.669 -6.331 1.00 1.80 C ATOM 851 C THR A 58 -11.091 14.900 -5.009 1.00 1.69 C ATOM 852 O THR A 58 -11.873 15.092 -4.093 1.00 1.74 O ATOM 853 CB THR A 58 -12.478 16.542 -6.365 1.00 1.94 C ATOM 854 OG1 THR A 58 -12.488 17.393 -5.223 1.00 1.94 O ATOM 855 CG2 THR A 58 -13.742 15.677 -6.351 1.00 2.07 C ATOM 0 H THR A 58 -10.806 15.048 -8.343 1.00 1.96 H new ATOM 0 HA THR A 58 -10.312 16.291 -6.400 1.00 1.80 H new ATOM 0 HB THR A 58 -12.469 17.129 -7.283 1.00 1.94 H new ATOM 0 HG1 THR A 58 -12.385 16.853 -4.412 1.00 1.94 H new ATOM 0 HG21 THR A 58 -14.623 16.319 -6.376 1.00 2.07 H new ATOM 0 HG22 THR A 58 -13.745 15.023 -7.223 1.00 2.07 H new ATOM 0 HG23 THR A 58 -13.759 15.072 -5.444 1.00 2.07 H new ATOM 863 N LYS A 59 -10.117 14.030 -4.906 1.00 1.62 N ATOM 864 CA LYS A 59 -9.937 13.237 -3.654 1.00 1.63 C ATOM 865 C LYS A 59 -9.614 14.160 -2.472 1.00 1.51 C ATOM 866 O LYS A 59 -8.461 14.432 -2.166 1.00 1.49 O ATOM 867 CB LYS A 59 -8.774 12.296 -3.955 1.00 1.71 C ATOM 868 CG LYS A 59 -8.483 11.418 -2.736 1.00 1.81 C ATOM 869 CD LYS A 59 -6.968 11.248 -2.582 1.00 1.85 C ATOM 870 CE LYS A 59 -6.458 12.115 -1.423 1.00 1.80 C ATOM 871 NZ LYS A 59 -6.217 13.462 -2.019 1.00 1.61 N ATOM 0 H LYS A 59 -9.436 13.835 -5.640 1.00 1.62 H new ATOM 0 HA LYS A 59 -10.838 12.691 -3.373 1.00 1.63 H new ATOM 0 HB2 LYS A 59 -9.014 11.671 -4.815 1.00 1.71 H new ATOM 0 HB3 LYS A 59 -7.887 12.873 -4.218 1.00 1.71 H new ATOM 0 HG2 LYS A 59 -8.902 11.872 -1.838 1.00 1.81 H new ATOM 0 HG3 LYS A 59 -8.959 10.445 -2.853 1.00 1.81 H new ATOM 0 HD2 LYS A 59 -6.728 10.201 -2.397 1.00 1.85 H new ATOM 0 HD3 LYS A 59 -6.466 11.531 -3.507 1.00 1.85 H new ATOM 0 HE2 LYS A 59 -7.191 12.166 -0.617 1.00 1.80 H new ATOM 0 HE3 LYS A 59 -5.543 11.704 -0.996 1.00 1.80 H new ATOM 0 HZ1 LYS A 59 -5.834 14.100 -1.292 1.00 1.61 H new ATOM 0 HZ2 LYS A 59 -5.536 13.379 -2.800 1.00 1.61 H new ATOM 0 HZ3 LYS A 59 -7.113 13.847 -2.380 1.00 1.61 H new ATOM 885 N GLU A 60 -10.634 14.633 -1.815 1.00 1.52 N ATOM 886 CA GLU A 60 -10.444 15.542 -0.645 1.00 1.56 C ATOM 887 C GLU A 60 -10.576 14.752 0.669 1.00 1.79 C ATOM 888 O GLU A 60 -11.669 14.388 1.069 1.00 1.81 O ATOM 889 CB GLU A 60 -11.562 16.580 -0.773 1.00 1.52 C ATOM 890 CG GLU A 60 -11.020 17.969 -0.413 1.00 1.61 C ATOM 891 CD GLU A 60 -10.783 18.056 1.094 1.00 1.83 C ATOM 892 OE1 GLU A 60 -9.752 17.584 1.539 1.00 2.06 O ATOM 893 OE2 GLU A 60 -11.642 18.587 1.777 1.00 1.89 O ATOM 0 H GLU A 60 -11.607 14.427 -2.040 1.00 1.52 H new ATOM 0 HA GLU A 60 -9.458 16.006 -0.631 1.00 1.56 H new ATOM 0 HB2 GLU A 60 -11.953 16.584 -1.790 1.00 1.52 H new ATOM 0 HB3 GLU A 60 -12.390 16.320 -0.114 1.00 1.52 H new ATOM 0 HG2 GLU A 60 -10.089 18.157 -0.948 1.00 1.61 H new ATOM 0 HG3 GLU A 60 -11.727 18.738 -0.724 1.00 1.61 H new ATOM 900 N PRO A 61 -9.449 14.512 1.302 1.00 2.03 N ATOM 901 CA PRO A 61 -9.436 13.758 2.585 1.00 2.33 C ATOM 902 C PRO A 61 -10.021 14.605 3.726 1.00 2.29 C ATOM 903 O PRO A 61 -10.674 14.088 4.613 1.00 2.37 O ATOM 904 CB PRO A 61 -7.953 13.464 2.812 1.00 2.65 C ATOM 905 CG PRO A 61 -7.225 14.527 2.054 1.00 2.52 C ATOM 906 CD PRO A 61 -8.097 14.917 0.889 1.00 2.11 C ATOM 0 HA PRO A 61 -10.043 12.853 2.555 1.00 2.33 H new ATOM 0 HB2 PRO A 61 -7.703 13.494 3.872 1.00 2.65 H new ATOM 0 HB3 PRO A 61 -7.688 12.470 2.450 1.00 2.65 H new ATOM 0 HG2 PRO A 61 -7.027 15.388 2.692 1.00 2.52 H new ATOM 0 HG3 PRO A 61 -6.260 14.159 1.706 1.00 2.52 H new ATOM 0 HD2 PRO A 61 -8.044 15.988 0.692 1.00 2.11 H new ATOM 0 HD3 PRO A 61 -7.791 14.409 -0.026 1.00 2.11 H new ATOM 914 N PHE A 62 -9.805 15.899 3.704 1.00 2.22 N ATOM 915 CA PHE A 62 -10.357 16.770 4.784 1.00 2.27 C ATOM 916 C PHE A 62 -11.888 16.705 4.801 1.00 2.06 C ATOM 917 O PHE A 62 -12.493 16.688 5.849 1.00 2.04 O ATOM 918 CB PHE A 62 -9.874 18.189 4.463 1.00 2.30 C ATOM 919 CG PHE A 62 -10.052 19.070 5.679 1.00 2.51 C ATOM 920 CD1 PHE A 62 -9.352 18.790 6.857 1.00 2.90 C ATOM 921 CD2 PHE A 62 -10.923 20.163 5.626 1.00 2.51 C ATOM 922 CE1 PHE A 62 -9.524 19.603 7.986 1.00 3.18 C ATOM 923 CE2 PHE A 62 -11.095 20.979 6.752 1.00 2.83 C ATOM 924 CZ PHE A 62 -10.396 20.698 7.932 1.00 3.12 C ATOM 0 H PHE A 62 -9.271 16.387 2.985 1.00 2.22 H new ATOM 0 HA PHE A 62 -10.021 16.449 5.770 1.00 2.27 H new ATOM 0 HB2 PHE A 62 -8.826 18.169 4.166 1.00 2.30 H new ATOM 0 HB3 PHE A 62 -10.436 18.594 3.622 1.00 2.30 H new ATOM 0 HD1 PHE A 62 -8.678 17.947 6.897 1.00 2.90 H new ATOM 0 HD2 PHE A 62 -11.464 20.378 4.716 1.00 2.51 H new ATOM 0 HE1 PHE A 62 -8.985 19.385 8.896 1.00 3.18 H new ATOM 0 HE2 PHE A 62 -11.766 21.824 6.710 1.00 2.83 H new ATOM 0 HZ PHE A 62 -10.529 21.326 8.801 1.00 3.12 H new ATOM 934 N LEU A 63 -12.511 16.660 3.652 1.00 1.97 N ATOM 935 CA LEU A 63 -14.012 16.584 3.602 1.00 1.84 C ATOM 936 C LEU A 63 -14.516 15.431 4.479 1.00 1.87 C ATOM 937 O LEU A 63 -15.528 15.541 5.151 1.00 1.77 O ATOM 938 CB LEU A 63 -14.365 16.336 2.128 1.00 1.93 C ATOM 939 CG LEU A 63 -14.869 17.633 1.489 1.00 1.98 C ATOM 940 CD1 LEU A 63 -14.917 17.469 -0.032 1.00 2.20 C ATOM 941 CD2 LEU A 63 -16.280 17.940 2.003 1.00 2.06 C ATOM 0 H LEU A 63 -12.050 16.672 2.742 1.00 1.97 H new ATOM 0 HA LEU A 63 -14.477 17.496 3.977 1.00 1.84 H new ATOM 0 HB2 LEU A 63 -13.489 15.972 1.591 1.00 1.93 H new ATOM 0 HB3 LEU A 63 -15.129 15.562 2.053 1.00 1.93 H new ATOM 0 HG LEU A 63 -14.195 18.449 1.750 1.00 1.98 H new ATOM 0 HD11 LEU A 63 -15.276 18.393 -0.486 1.00 2.20 H new ATOM 0 HD12 LEU A 63 -13.918 17.245 -0.406 1.00 2.20 H new ATOM 0 HD13 LEU A 63 -15.592 16.652 -0.289 1.00 2.20 H new ATOM 0 HD21 LEU A 63 -16.640 18.863 1.549 1.00 2.06 H new ATOM 0 HD22 LEU A 63 -16.949 17.121 1.740 1.00 2.06 H new ATOM 0 HD23 LEU A 63 -16.256 18.054 3.087 1.00 2.06 H new ATOM 953 N LEU A 64 -13.799 14.341 4.488 1.00 2.07 N ATOM 954 CA LEU A 64 -14.196 13.173 5.330 1.00 2.22 C ATOM 955 C LEU A 64 -14.198 13.585 6.808 1.00 2.11 C ATOM 956 O LEU A 64 -15.188 13.434 7.498 1.00 2.07 O ATOM 957 CB LEU A 64 -13.128 12.109 5.058 1.00 2.53 C ATOM 958 CG LEU A 64 -13.792 10.813 4.591 1.00 2.77 C ATOM 959 CD1 LEU A 64 -13.222 10.414 3.227 1.00 2.95 C ATOM 960 CD2 LEU A 64 -13.499 9.708 5.603 1.00 3.48 C ATOM 0 H LEU A 64 -12.947 14.207 3.944 1.00 2.07 H new ATOM 0 HA LEU A 64 -15.195 12.803 5.099 1.00 2.22 H new ATOM 0 HB2 LEU A 64 -12.432 12.466 4.299 1.00 2.53 H new ATOM 0 HB3 LEU A 64 -12.547 11.925 5.962 1.00 2.53 H new ATOM 0 HG LEU A 64 -14.869 10.961 4.508 1.00 2.77 H new ATOM 0 HD11 LEU A 64 -13.694 9.490 2.892 1.00 2.95 H new ATOM 0 HD12 LEU A 64 -13.420 11.206 2.504 1.00 2.95 H new ATOM 0 HD13 LEU A 64 -12.146 10.262 3.313 1.00 2.95 H new ATOM 0 HD21 LEU A 64 -13.970 8.781 5.276 1.00 3.48 H new ATOM 0 HD22 LEU A 64 -12.422 9.561 5.679 1.00 3.48 H new ATOM 0 HD23 LEU A 64 -13.896 9.992 6.577 1.00 3.48 H new ATOM 972 N VAL A 65 -13.104 14.136 7.288 1.00 2.10 N ATOM 973 CA VAL A 65 -13.055 14.593 8.719 1.00 2.02 C ATOM 974 C VAL A 65 -13.999 15.783 8.903 1.00 1.76 C ATOM 975 O VAL A 65 -14.587 15.963 9.947 1.00 1.69 O ATOM 976 CB VAL A 65 -11.614 15.023 8.995 1.00 2.15 C ATOM 977 CG1 VAL A 65 -11.441 15.268 10.495 1.00 2.21 C ATOM 978 CG2 VAL A 65 -10.635 13.929 8.555 1.00 2.44 C ATOM 0 H VAL A 65 -12.248 14.288 6.755 1.00 2.10 H new ATOM 0 HA VAL A 65 -13.362 13.801 9.402 1.00 2.02 H new ATOM 0 HB VAL A 65 -11.406 15.935 8.435 1.00 2.15 H new ATOM 0 HG11 VAL A 65 -10.415 15.575 10.698 1.00 2.21 H new ATOM 0 HG12 VAL A 65 -12.125 16.053 10.817 1.00 2.21 H new ATOM 0 HG13 VAL A 65 -11.660 14.350 11.041 1.00 2.21 H new ATOM 0 HG21 VAL A 65 -9.614 14.251 8.759 1.00 2.44 H new ATOM 0 HG22 VAL A 65 -10.843 13.012 9.106 1.00 2.44 H new ATOM 0 HG23 VAL A 65 -10.751 13.745 7.487 1.00 2.44 H new ATOM 988 N GLN A 66 -14.160 16.578 7.880 1.00 1.67 N ATOM 989 CA GLN A 66 -15.092 17.740 7.959 1.00 1.51 C ATOM 990 C GLN A 66 -16.484 17.204 8.276 1.00 1.45 C ATOM 991 O GLN A 66 -17.129 17.623 9.213 1.00 1.41 O ATOM 992 CB GLN A 66 -15.060 18.374 6.563 1.00 1.55 C ATOM 993 CG GLN A 66 -14.510 19.799 6.646 1.00 1.72 C ATOM 994 CD GLN A 66 -14.989 20.594 5.433 1.00 1.98 C ATOM 995 OE1 GLN A 66 -16.017 21.241 5.480 1.00 2.21 O ATOM 996 NE2 GLN A 66 -14.296 20.564 4.337 1.00 2.35 N ATOM 0 H GLN A 66 -13.682 16.471 6.985 1.00 1.67 H new ATOM 0 HA GLN A 66 -14.821 18.467 8.725 1.00 1.51 H new ATOM 0 HB2 GLN A 66 -14.440 17.775 5.897 1.00 1.55 H new ATOM 0 HB3 GLN A 66 -16.064 18.387 6.138 1.00 1.55 H new ATOM 0 HG2 GLN A 66 -14.846 20.278 7.566 1.00 1.72 H new ATOM 0 HG3 GLN A 66 -13.421 19.780 6.676 1.00 1.72 H new ATOM 0 HE21 GLN A 66 -13.433 20.022 4.294 1.00 2.35 H new ATOM 0 HE22 GLN A 66 -14.614 21.082 3.518 1.00 2.35 H new ATOM 1005 N TYR A 67 -16.918 16.246 7.508 1.00 1.54 N ATOM 1006 CA TYR A 67 -18.250 15.615 7.746 1.00 1.61 C ATOM 1007 C TYR A 67 -18.208 14.796 9.039 1.00 1.70 C ATOM 1008 O TYR A 67 -19.111 14.850 9.851 1.00 1.72 O ATOM 1009 CB TYR A 67 -18.472 14.704 6.536 1.00 1.80 C ATOM 1010 CG TYR A 67 -19.825 14.992 5.932 1.00 1.84 C ATOM 1011 CD1 TYR A 67 -19.970 16.023 4.994 1.00 2.34 C ATOM 1012 CD2 TYR A 67 -20.937 14.230 6.310 1.00 1.87 C ATOM 1013 CE1 TYR A 67 -21.227 16.290 4.439 1.00 2.68 C ATOM 1014 CE2 TYR A 67 -22.192 14.500 5.754 1.00 2.26 C ATOM 1015 CZ TYR A 67 -22.334 15.528 4.819 1.00 2.59 C ATOM 1016 OH TYR A 67 -23.568 15.792 4.272 1.00 3.13 O ATOM 0 H TYR A 67 -16.402 15.867 6.714 1.00 1.54 H new ATOM 0 HA TYR A 67 -19.051 16.346 7.855 1.00 1.61 H new ATOM 0 HB2 TYR A 67 -17.689 14.867 5.796 1.00 1.80 H new ATOM 0 HB3 TYR A 67 -18.412 13.659 6.838 1.00 1.80 H new ATOM 0 HD1 TYR A 67 -19.113 16.611 4.700 1.00 2.34 H new ATOM 0 HD2 TYR A 67 -20.826 13.434 7.031 1.00 1.87 H new ATOM 0 HE1 TYR A 67 -21.341 17.085 3.717 1.00 2.68 H new ATOM 0 HE2 TYR A 67 -23.050 13.914 6.047 1.00 2.26 H new ATOM 0 HH TYR A 67 -24.230 15.171 4.642 1.00 3.13 H new ATOM 1026 N SER A 68 -17.152 14.051 9.228 1.00 1.82 N ATOM 1027 CA SER A 68 -17.003 13.218 10.465 1.00 1.99 C ATOM 1028 C SER A 68 -17.034 14.104 11.713 1.00 1.84 C ATOM 1029 O SER A 68 -17.589 13.733 12.721 1.00 1.95 O ATOM 1030 CB SER A 68 -15.643 12.531 10.334 1.00 2.17 C ATOM 1031 OG SER A 68 -15.716 11.240 10.923 1.00 2.80 O ATOM 0 H SER A 68 -16.374 13.981 8.572 1.00 1.82 H new ATOM 0 HA SER A 68 -17.814 12.496 10.566 1.00 1.99 H new ATOM 0 HB2 SER A 68 -15.362 12.450 9.284 1.00 2.17 H new ATOM 0 HB3 SER A 68 -14.873 13.125 10.825 1.00 2.17 H new ATOM 0 HG SER A 68 -14.848 10.793 10.841 1.00 2.80 H new ATOM 1037 N ALA A 69 -16.444 15.275 11.657 1.00 1.66 N ATOM 1038 CA ALA A 69 -16.459 16.179 12.848 1.00 1.58 C ATOM 1039 C ALA A 69 -17.747 17.010 12.864 1.00 1.49 C ATOM 1040 O ALA A 69 -18.383 17.163 13.890 1.00 1.51 O ATOM 1041 CB ALA A 69 -15.233 17.081 12.684 1.00 1.56 C ATOM 0 H ALA A 69 -15.955 15.641 10.840 1.00 1.66 H new ATOM 0 HA ALA A 69 -16.428 15.626 13.787 1.00 1.58 H new ATOM 0 HB1 ALA A 69 -15.176 17.774 13.523 1.00 1.56 H new ATOM 0 HB2 ALA A 69 -14.332 16.469 12.658 1.00 1.56 H new ATOM 0 HB3 ALA A 69 -15.317 17.643 11.754 1.00 1.56 H new ATOM 1047 N LYS A 70 -18.137 17.534 11.733 1.00 1.52 N ATOM 1048 CA LYS A 70 -19.391 18.358 11.666 1.00 1.59 C ATOM 1049 C LYS A 70 -20.610 17.509 12.004 1.00 1.68 C ATOM 1050 O LYS A 70 -21.454 17.910 12.772 1.00 1.74 O ATOM 1051 CB LYS A 70 -19.489 18.854 10.222 1.00 1.80 C ATOM 1052 CG LYS A 70 -18.532 20.023 10.036 1.00 1.86 C ATOM 1053 CD LYS A 70 -18.884 20.795 8.759 1.00 2.23 C ATOM 1054 CE LYS A 70 -18.046 20.265 7.592 1.00 2.44 C ATOM 1055 NZ LYS A 70 -18.163 21.301 6.519 1.00 2.61 N ATOM 0 H LYS A 70 -17.643 17.430 10.847 1.00 1.52 H new ATOM 0 HA LYS A 70 -19.360 19.181 12.380 1.00 1.59 H new ATOM 0 HB2 LYS A 70 -19.241 18.050 9.530 1.00 1.80 H new ATOM 0 HB3 LYS A 70 -20.510 19.163 9.998 1.00 1.80 H new ATOM 0 HG2 LYS A 70 -18.586 20.688 10.898 1.00 1.86 H new ATOM 0 HG3 LYS A 70 -17.507 19.658 9.978 1.00 1.86 H new ATOM 0 HD2 LYS A 70 -19.946 20.686 8.537 1.00 2.23 H new ATOM 0 HD3 LYS A 70 -18.696 21.859 8.902 1.00 2.23 H new ATOM 0 HE2 LYS A 70 -17.007 20.121 7.888 1.00 2.44 H new ATOM 0 HE3 LYS A 70 -18.417 19.299 7.248 1.00 2.44 H new ATOM 0 HZ1 LYS A 70 -17.265 21.365 5.998 1.00 2.61 H new ATOM 0 HZ2 LYS A 70 -18.926 21.037 5.863 1.00 2.61 H new ATOM 0 HZ3 LYS A 70 -18.380 22.223 6.949 1.00 2.61 H new ATOM 1069 N GLY A 71 -20.696 16.349 11.423 1.00 1.81 N ATOM 1070 CA GLY A 71 -21.862 15.432 11.683 1.00 2.05 C ATOM 1071 C GLY A 71 -22.216 15.446 13.175 1.00 2.01 C ATOM 1072 O GLY A 71 -23.279 15.906 13.547 1.00 2.10 O ATOM 0 H GLY A 71 -20.004 15.983 10.769 1.00 1.81 H new ATOM 0 HA2 GLY A 71 -22.723 15.748 11.093 1.00 2.05 H new ATOM 0 HA3 GLY A 71 -21.615 14.418 11.369 1.00 2.05 H new ATOM 1076 N PRO A 72 -21.301 14.966 13.985 1.00 1.96 N ATOM 1077 CA PRO A 72 -21.520 14.951 15.452 1.00 2.03 C ATOM 1078 C PRO A 72 -21.520 16.386 16.000 1.00 1.86 C ATOM 1079 O PRO A 72 -22.337 16.725 16.825 1.00 2.00 O ATOM 1080 CB PRO A 72 -20.341 14.141 15.988 1.00 2.10 C ATOM 1081 CG PRO A 72 -19.284 14.280 14.945 1.00 1.95 C ATOM 1082 CD PRO A 72 -20.000 14.394 13.624 1.00 1.95 C ATOM 0 HA PRO A 72 -22.477 14.520 15.745 1.00 2.03 H new ATOM 0 HB2 PRO A 72 -20.001 14.524 16.950 1.00 2.10 H new ATOM 0 HB3 PRO A 72 -20.614 13.097 16.139 1.00 2.10 H new ATOM 0 HG2 PRO A 72 -18.669 15.161 15.130 1.00 1.95 H new ATOM 0 HG3 PRO A 72 -18.617 13.418 14.952 1.00 1.95 H new ATOM 0 HD2 PRO A 72 -19.459 15.036 12.929 1.00 1.95 H new ATOM 0 HD3 PRO A 72 -20.109 13.422 13.142 1.00 1.95 H new ATOM 1090 N CYS A 73 -20.634 17.239 15.540 1.00 1.67 N ATOM 1091 CA CYS A 73 -20.638 18.650 16.049 1.00 1.67 C ATOM 1092 C CYS A 73 -22.002 19.300 15.779 1.00 1.82 C ATOM 1093 O CYS A 73 -22.540 20.013 16.607 1.00 1.96 O ATOM 1094 CB CYS A 73 -19.528 19.376 15.283 1.00 1.59 C ATOM 1095 SG CYS A 73 -19.274 21.016 16.006 1.00 2.06 S ATOM 0 H CYS A 73 -19.919 17.025 14.845 1.00 1.67 H new ATOM 0 HA CYS A 73 -20.467 18.696 17.125 1.00 1.67 H new ATOM 0 HB2 CYS A 73 -18.604 18.800 15.327 1.00 1.59 H new ATOM 0 HB3 CYS A 73 -19.797 19.468 14.231 1.00 1.59 H new ATOM 0 HG CYS A 73 -18.331 21.634 15.359 1.00 2.06 H new ATOM 1101 N VAL A 74 -22.575 19.031 14.636 1.00 1.86 N ATOM 1102 CA VAL A 74 -23.918 19.601 14.307 1.00 2.10 C ATOM 1103 C VAL A 74 -24.985 18.852 15.098 1.00 2.23 C ATOM 1104 O VAL A 74 -25.827 19.448 15.748 1.00 2.39 O ATOM 1105 CB VAL A 74 -24.091 19.397 12.795 1.00 2.19 C ATOM 1106 CG1 VAL A 74 -25.562 19.560 12.406 1.00 2.48 C ATOM 1107 CG2 VAL A 74 -23.259 20.438 12.044 1.00 2.24 C ATOM 0 H VAL A 74 -22.170 18.438 13.911 1.00 1.86 H new ATOM 0 HA VAL A 74 -24.008 20.656 14.565 1.00 2.10 H new ATOM 0 HB VAL A 74 -23.758 18.393 12.533 1.00 2.19 H new ATOM 0 HG11 VAL A 74 -25.673 19.413 11.332 1.00 2.48 H new ATOM 0 HG12 VAL A 74 -26.163 18.822 12.937 1.00 2.48 H new ATOM 0 HG13 VAL A 74 -25.900 20.562 12.672 1.00 2.48 H new ATOM 0 HG21 VAL A 74 -23.380 20.295 10.970 1.00 2.24 H new ATOM 0 HG22 VAL A 74 -23.595 21.438 12.317 1.00 2.24 H new ATOM 0 HG23 VAL A 74 -22.208 20.324 12.309 1.00 2.24 H new ATOM 1117 N GLU A 75 -24.936 17.549 15.073 1.00 2.24 N ATOM 1118 CA GLU A 75 -25.926 16.753 15.854 1.00 2.47 C ATOM 1119 C GLU A 75 -25.890 17.202 17.318 1.00 2.51 C ATOM 1120 O GLU A 75 -26.908 17.409 17.939 1.00 2.73 O ATOM 1121 CB GLU A 75 -25.472 15.296 15.719 1.00 2.56 C ATOM 1122 CG GLU A 75 -26.648 14.428 15.256 1.00 2.89 C ATOM 1123 CD GLU A 75 -27.531 14.068 16.450 1.00 3.18 C ATOM 1124 OE1 GLU A 75 -27.026 13.445 17.372 1.00 3.32 O ATOM 1125 OE2 GLU A 75 -28.699 14.422 16.426 1.00 3.37 O ATOM 0 H GLU A 75 -24.255 17.001 14.547 1.00 2.24 H new ATOM 0 HA GLU A 75 -26.948 16.882 15.497 1.00 2.47 H new ATOM 0 HB2 GLU A 75 -24.652 15.225 15.004 1.00 2.56 H new ATOM 0 HB3 GLU A 75 -25.094 14.933 16.675 1.00 2.56 H new ATOM 0 HG2 GLU A 75 -27.233 14.963 14.508 1.00 2.89 H new ATOM 0 HG3 GLU A 75 -26.276 13.520 14.781 1.00 2.89 H new ATOM 1132 N ARG A 76 -24.712 17.382 17.855 1.00 2.37 N ATOM 1133 CA ARG A 76 -24.581 17.839 19.274 1.00 2.50 C ATOM 1134 C ARG A 76 -25.155 19.249 19.429 1.00 2.59 C ATOM 1135 O ARG A 76 -25.946 19.506 20.317 1.00 2.83 O ATOM 1136 CB ARG A 76 -23.078 17.825 19.578 1.00 2.38 C ATOM 1137 CG ARG A 76 -22.727 16.566 20.379 1.00 2.58 C ATOM 1138 CD ARG A 76 -22.641 15.366 19.432 1.00 2.55 C ATOM 1139 NE ARG A 76 -23.622 14.377 19.967 1.00 2.89 N ATOM 1140 CZ ARG A 76 -24.641 14.010 19.256 1.00 2.98 C ATOM 1141 NH1 ARG A 76 -24.466 13.402 18.132 1.00 2.98 N ATOM 1142 NH2 ARG A 76 -25.835 14.224 19.686 1.00 3.11 N ATOM 0 H ARG A 76 -23.828 17.231 17.370 1.00 2.37 H new ATOM 0 HA ARG A 76 -25.130 17.196 19.962 1.00 2.50 H new ATOM 0 HB2 ARG A 76 -22.509 17.848 18.649 1.00 2.38 H new ATOM 0 HB3 ARG A 76 -22.803 18.716 20.142 1.00 2.38 H new ATOM 0 HG2 ARG A 76 -21.777 16.704 20.896 1.00 2.58 H new ATOM 0 HG3 ARG A 76 -23.483 16.386 21.144 1.00 2.58 H new ATOM 0 HD2 ARG A 76 -22.888 15.652 18.410 1.00 2.55 H new ATOM 0 HD3 ARG A 76 -21.633 14.951 19.412 1.00 2.55 H new ATOM 0 HE ARG A 76 -23.489 13.987 20.900 1.00 2.89 H new ATOM 0 HH11 ARG A 76 -23.522 13.208 17.799 1.00 2.98 H new ATOM 0 HH12 ARG A 76 -25.272 13.115 17.576 1.00 2.98 H new ATOM 0 HH21 ARG A 76 -25.978 14.682 20.586 1.00 3.11 H new ATOM 0 HH22 ARG A 76 -26.638 13.935 19.127 1.00 3.11 H new ATOM 1156 N LYS A 77 -24.784 20.165 18.567 1.00 2.47 N ATOM 1157 CA LYS A 77 -25.347 21.551 18.680 1.00 2.68 C ATOM 1158 C LYS A 77 -26.873 21.501 18.480 1.00 2.86 C ATOM 1159 O LYS A 77 -27.617 22.251 19.088 1.00 3.13 O ATOM 1160 CB LYS A 77 -24.620 22.391 17.607 1.00 2.60 C ATOM 1161 CG LYS A 77 -25.378 22.395 16.270 1.00 2.66 C ATOM 1162 CD LYS A 77 -25.791 23.830 15.924 1.00 2.98 C ATOM 1163 CE LYS A 77 -27.288 23.880 15.601 1.00 3.14 C ATOM 1164 NZ LYS A 77 -27.838 24.953 16.484 1.00 3.31 N ATOM 0 H LYS A 77 -24.126 20.019 17.801 1.00 2.47 H new ATOM 0 HA LYS A 77 -25.189 22.000 19.660 1.00 2.68 H new ATOM 0 HB2 LYS A 77 -24.507 23.415 17.963 1.00 2.60 H new ATOM 0 HB3 LYS A 77 -23.616 21.994 17.454 1.00 2.60 H new ATOM 0 HG2 LYS A 77 -24.748 21.986 15.481 1.00 2.66 H new ATOM 0 HG3 LYS A 77 -26.259 21.757 16.337 1.00 2.66 H new ATOM 0 HD2 LYS A 77 -25.568 24.493 16.760 1.00 2.98 H new ATOM 0 HD3 LYS A 77 -25.214 24.188 15.071 1.00 2.98 H new ATOM 0 HE2 LYS A 77 -27.457 24.109 14.549 1.00 3.14 H new ATOM 0 HE3 LYS A 77 -27.767 22.921 15.800 1.00 3.14 H new ATOM 0 HZ1 LYS A 77 -28.872 24.860 16.541 1.00 3.31 H new ATOM 0 HZ2 LYS A 77 -27.429 24.863 17.436 1.00 3.31 H new ATOM 0 HZ3 LYS A 77 -27.596 25.885 16.090 1.00 3.31 H new ATOM 1178 N ALA A 78 -27.337 20.592 17.661 1.00 2.77 N ATOM 1179 CA ALA A 78 -28.808 20.443 17.439 1.00 2.99 C ATOM 1180 C ALA A 78 -29.444 19.822 18.685 1.00 3.18 C ATOM 1181 O ALA A 78 -30.483 20.258 19.148 1.00 3.43 O ATOM 1182 CB ALA A 78 -28.934 19.510 16.231 1.00 2.91 C ATOM 0 H ALA A 78 -26.756 19.942 17.132 1.00 2.77 H new ATOM 0 HA ALA A 78 -29.312 21.392 17.259 1.00 2.99 H new ATOM 0 HB1 ALA A 78 -29.988 19.350 16.003 1.00 2.91 H new ATOM 0 HB2 ALA A 78 -28.441 19.961 15.370 1.00 2.91 H new ATOM 0 HB3 ALA A 78 -28.463 18.554 16.459 1.00 2.91 H new ATOM 1188 N LYS A 79 -28.812 18.822 19.241 1.00 3.13 N ATOM 1189 CA LYS A 79 -29.349 18.174 20.482 1.00 3.39 C ATOM 1190 C LYS A 79 -29.241 19.153 21.659 1.00 3.53 C ATOM 1191 O LYS A 79 -30.074 19.171 22.540 1.00 3.78 O ATOM 1192 CB LYS A 79 -28.459 16.947 20.736 1.00 3.34 C ATOM 1193 CG LYS A 79 -28.662 15.891 19.639 1.00 3.32 C ATOM 1194 CD LYS A 79 -30.149 15.593 19.479 1.00 3.67 C ATOM 1195 CE LYS A 79 -30.659 16.207 18.173 1.00 3.85 C ATOM 1196 NZ LYS A 79 -30.933 15.038 17.288 1.00 4.00 N ATOM 0 H LYS A 79 -27.942 18.422 18.890 1.00 3.13 H new ATOM 0 HA LYS A 79 -30.396 17.892 20.373 1.00 3.39 H new ATOM 0 HB2 LYS A 79 -27.413 17.251 20.766 1.00 3.34 H new ATOM 0 HB3 LYS A 79 -28.694 16.517 21.710 1.00 3.34 H new ATOM 0 HG2 LYS A 79 -28.250 16.249 18.696 1.00 3.32 H new ATOM 0 HG3 LYS A 79 -28.124 14.978 19.896 1.00 3.32 H new ATOM 0 HD2 LYS A 79 -30.316 14.516 19.476 1.00 3.67 H new ATOM 0 HD3 LYS A 79 -30.704 15.999 20.325 1.00 3.67 H new ATOM 0 HE2 LYS A 79 -31.560 16.798 18.338 1.00 3.85 H new ATOM 0 HE3 LYS A 79 -29.917 16.873 17.732 1.00 3.85 H new ATOM 0 HZ1 LYS A 79 -31.397 15.364 16.416 1.00 4.00 H new ATOM 0 HZ2 LYS A 79 -30.037 14.567 17.048 1.00 4.00 H new ATOM 0 HZ3 LYS A 79 -31.556 14.367 17.782 1.00 4.00 H new ATOM 1210 N LEU A 80 -28.213 19.966 21.670 1.00 3.42 N ATOM 1211 CA LEU A 80 -28.033 20.955 22.773 1.00 3.62 C ATOM 1212 C LEU A 80 -29.020 22.122 22.613 1.00 3.80 C ATOM 1213 O LEU A 80 -29.481 22.696 23.581 1.00 4.08 O ATOM 1214 CB LEU A 80 -26.586 21.435 22.632 1.00 3.47 C ATOM 1215 CG LEU A 80 -26.282 22.483 23.702 1.00 3.71 C ATOM 1216 CD1 LEU A 80 -25.188 21.955 24.631 1.00 3.76 C ATOM 1217 CD2 LEU A 80 -25.803 23.770 23.029 1.00 3.77 C ATOM 0 H LEU A 80 -27.486 19.985 20.955 1.00 3.42 H new ATOM 0 HA LEU A 80 -28.224 20.524 23.756 1.00 3.62 H new ATOM 0 HB2 LEU A 80 -25.902 20.592 22.731 1.00 3.47 H new ATOM 0 HB3 LEU A 80 -26.429 21.858 21.640 1.00 3.47 H new ATOM 0 HG LEU A 80 -27.183 22.689 24.280 1.00 3.71 H new ATOM 0 HD11 LEU A 80 -24.969 22.700 25.395 1.00 3.76 H new ATOM 0 HD12 LEU A 80 -25.528 21.036 25.108 1.00 3.76 H new ATOM 0 HD13 LEU A 80 -24.286 21.752 24.053 1.00 3.76 H new ATOM 0 HD21 LEU A 80 -25.585 24.519 23.790 1.00 3.77 H new ATOM 0 HD22 LEU A 80 -24.901 23.565 22.453 1.00 3.77 H new ATOM 0 HD23 LEU A 80 -26.581 24.144 22.364 1.00 3.77 H new ATOM 1229 N MET A 81 -29.344 22.471 21.395 1.00 3.68 N ATOM 1230 CA MET A 81 -30.305 23.596 21.155 1.00 3.91 C ATOM 1231 C MET A 81 -31.755 23.088 21.231 1.00 4.06 C ATOM 1232 O MET A 81 -32.603 23.714 21.833 1.00 4.32 O ATOM 1233 CB MET A 81 -29.979 24.095 19.746 1.00 3.81 C ATOM 1234 CG MET A 81 -30.635 25.458 19.512 1.00 4.14 C ATOM 1235 SD MET A 81 -30.545 25.863 17.751 1.00 4.30 S ATOM 1236 CE MET A 81 -31.278 27.511 17.860 1.00 4.86 C ATOM 0 H MET A 81 -28.984 22.025 20.551 1.00 3.68 H new ATOM 0 HA MET A 81 -30.212 24.386 21.900 1.00 3.91 H new ATOM 0 HB2 MET A 81 -28.899 24.175 19.620 1.00 3.81 H new ATOM 0 HB3 MET A 81 -30.335 23.378 19.006 1.00 3.81 H new ATOM 0 HG2 MET A 81 -31.674 25.437 19.840 1.00 4.14 H new ATOM 0 HG3 MET A 81 -30.130 26.224 20.100 1.00 4.14 H new ATOM 0 HE1 MET A 81 -31.321 27.956 16.866 1.00 4.86 H new ATOM 0 HE2 MET A 81 -32.286 27.435 18.268 1.00 4.86 H new ATOM 0 HE3 MET A 81 -30.669 28.138 18.512 1.00 4.86 H new ATOM 1246 N THR A 82 -32.038 21.960 20.625 1.00 3.95 N ATOM 1247 CA THR A 82 -33.433 21.401 20.669 1.00 4.15 C ATOM 1248 C THR A 82 -33.614 20.552 21.935 1.00 4.24 C ATOM 1249 O THR A 82 -32.652 20.260 22.618 1.00 4.13 O ATOM 1250 CB THR A 82 -33.570 20.515 19.417 1.00 4.07 C ATOM 1251 OG1 THR A 82 -32.698 19.396 19.520 1.00 3.87 O ATOM 1252 CG2 THR A 82 -33.217 21.318 18.165 1.00 4.02 C ATOM 0 H THR A 82 -31.366 21.400 20.101 1.00 3.95 H new ATOM 0 HA THR A 82 -34.185 22.190 20.687 1.00 4.15 H new ATOM 0 HB THR A 82 -34.601 20.168 19.344 1.00 4.07 H new ATOM 0 HG1 THR A 82 -31.849 19.601 19.076 1.00 3.87 H new ATOM 0 HG21 THR A 82 -33.317 20.683 17.285 1.00 4.02 H new ATOM 0 HG22 THR A 82 -33.892 22.169 18.076 1.00 4.02 H new ATOM 0 HG23 THR A 82 -32.190 21.675 18.240 1.00 4.02 H new ATOM 1260 N PRO A 83 -34.840 20.160 22.210 1.00 4.49 N ATOM 1261 CA PRO A 83 -35.104 19.315 23.402 1.00 4.65 C ATOM 1262 C PRO A 83 -34.671 17.864 23.165 1.00 4.59 C ATOM 1263 O PRO A 83 -34.832 17.027 24.031 1.00 4.75 O ATOM 1264 CB PRO A 83 -36.606 19.372 23.570 1.00 4.98 C ATOM 1265 CG PRO A 83 -37.141 19.686 22.206 1.00 5.00 C ATOM 1266 CD PRO A 83 -36.074 20.460 21.468 1.00 4.70 C ATOM 0 HA PRO A 83 -34.554 19.666 24.275 1.00 4.65 H new ATOM 0 HB2 PRO A 83 -36.998 18.424 23.938 1.00 4.98 H new ATOM 0 HB3 PRO A 83 -36.893 20.137 24.292 1.00 4.98 H new ATOM 0 HG2 PRO A 83 -37.389 18.769 21.671 1.00 5.00 H new ATOM 0 HG3 PRO A 83 -38.058 20.271 22.279 1.00 5.00 H new ATOM 0 HD2 PRO A 83 -36.000 20.145 20.427 1.00 4.70 H new ATOM 0 HD3 PRO A 83 -36.287 21.529 21.463 1.00 4.70 H new ATOM 1274 N ASN A 84 -34.106 17.558 22.020 1.00 4.41 N ATOM 1275 CA ASN A 84 -33.650 16.158 21.750 1.00 4.42 C ATOM 1276 C ASN A 84 -32.377 15.849 22.566 1.00 4.26 C ATOM 1277 O ASN A 84 -31.469 15.194 22.089 1.00 4.11 O ATOM 1278 CB ASN A 84 -33.361 16.142 20.240 1.00 4.31 C ATOM 1279 CG ASN A 84 -33.565 14.736 19.661 1.00 4.37 C ATOM 1280 OD1 ASN A 84 -32.682 14.190 19.025 1.00 4.24 O ATOM 1281 ND2 ASN A 84 -34.703 14.128 19.836 1.00 4.65 N ATOM 0 H ASN A 84 -33.941 18.219 21.261 1.00 4.41 H new ATOM 0 HA ASN A 84 -34.386 15.405 22.034 1.00 4.42 H new ATOM 0 HB2 ASN A 84 -34.018 16.848 19.732 1.00 4.31 H new ATOM 0 HB3 ASN A 84 -32.338 16.470 20.058 1.00 4.31 H new ATOM 0 HD21 ASN A 84 -34.851 13.199 19.441 1.00 4.65 H new ATOM 0 HD22 ASN A 84 -35.446 14.580 20.368 1.00 4.65 H new ATOM 1288 N GLY A 85 -32.308 16.318 23.795 1.00 4.34 N ATOM 1289 CA GLY A 85 -31.102 16.064 24.642 1.00 4.29 C ATOM 1290 C GLY A 85 -31.042 14.593 25.060 1.00 4.54 C ATOM 1291 O GLY A 85 -30.095 13.904 24.738 1.00 4.46 O ATOM 0 H GLY A 85 -33.040 16.867 24.245 1.00 4.34 H new ATOM 0 HA2 GLY A 85 -30.200 16.329 24.090 1.00 4.29 H new ATOM 0 HA3 GLY A 85 -31.132 16.699 25.527 1.00 4.29 H new ATOM 1295 N PRO A 86 -32.053 14.155 25.775 1.00 4.89 N ATOM 1296 CA PRO A 86 -32.092 12.746 26.244 1.00 5.22 C ATOM 1297 C PRO A 86 -32.350 11.775 25.087 1.00 5.29 C ATOM 1298 O PRO A 86 -31.824 10.675 25.077 1.00 5.49 O ATOM 1299 CB PRO A 86 -33.233 12.730 27.255 1.00 5.57 C ATOM 1300 CG PRO A 86 -34.114 13.875 26.866 1.00 5.44 C ATOM 1301 CD PRO A 86 -33.236 14.912 26.210 1.00 5.04 C ATOM 0 HA PRO A 86 -31.146 12.423 26.677 1.00 5.22 H new ATOM 0 HB2 PRO A 86 -33.776 11.786 27.222 1.00 5.57 H new ATOM 0 HB3 PRO A 86 -32.860 12.847 28.272 1.00 5.57 H new ATOM 0 HG2 PRO A 86 -34.895 13.544 26.182 1.00 5.44 H new ATOM 0 HG3 PRO A 86 -34.613 14.291 27.741 1.00 5.44 H new ATOM 0 HD2 PRO A 86 -33.739 15.385 25.367 1.00 5.04 H new ATOM 0 HD3 PRO A 86 -32.967 15.706 26.907 1.00 5.04 H new ATOM 1309 N GLU A 87 -33.129 12.167 24.112 1.00 5.20 N ATOM 1310 CA GLU A 87 -33.394 11.255 22.949 1.00 5.34 C ATOM 1311 C GLU A 87 -32.064 10.747 22.385 1.00 5.16 C ATOM 1312 O GLU A 87 -31.919 9.591 22.040 1.00 5.42 O ATOM 1313 CB GLU A 87 -34.125 12.104 21.905 1.00 5.21 C ATOM 1314 CG GLU A 87 -35.588 12.305 22.325 1.00 5.50 C ATOM 1315 CD GLU A 87 -35.791 13.742 22.799 1.00 5.31 C ATOM 1316 OE1 GLU A 87 -35.221 14.093 23.819 1.00 5.21 O ATOM 1317 OE2 GLU A 87 -36.501 14.471 22.125 1.00 5.34 O ATOM 0 H GLU A 87 -33.593 13.074 24.067 1.00 5.20 H new ATOM 0 HA GLU A 87 -33.987 10.387 23.237 1.00 5.34 H new ATOM 0 HB2 GLU A 87 -33.632 13.070 21.800 1.00 5.21 H new ATOM 0 HB3 GLU A 87 -34.081 11.616 20.931 1.00 5.21 H new ATOM 0 HG2 GLU A 87 -36.251 12.091 21.486 1.00 5.50 H new ATOM 0 HG3 GLU A 87 -35.847 11.608 23.122 1.00 5.50 H new ATOM 1324 N VAL A 88 -31.092 11.615 22.316 1.00 4.77 N ATOM 1325 CA VAL A 88 -29.749 11.218 21.803 1.00 4.60 C ATOM 1326 C VAL A 88 -28.756 11.039 22.970 1.00 4.64 C ATOM 1327 O VAL A 88 -27.746 10.378 22.831 1.00 4.66 O ATOM 1328 CB VAL A 88 -29.332 12.368 20.880 1.00 4.15 C ATOM 1329 CG1 VAL A 88 -28.837 13.562 21.705 1.00 3.91 C ATOM 1330 CG2 VAL A 88 -28.214 11.892 19.956 1.00 4.01 C ATOM 0 H VAL A 88 -31.172 12.593 22.596 1.00 4.77 H new ATOM 0 HA VAL A 88 -29.765 10.264 21.276 1.00 4.60 H new ATOM 0 HB VAL A 88 -30.194 12.680 20.291 1.00 4.15 H new ATOM 0 HG11 VAL A 88 -28.544 14.371 21.035 1.00 3.91 H new ATOM 0 HG12 VAL A 88 -29.635 13.906 22.362 1.00 3.91 H new ATOM 0 HG13 VAL A 88 -27.979 13.259 22.305 1.00 3.91 H new ATOM 0 HG21 VAL A 88 -27.914 12.707 19.298 1.00 4.01 H new ATOM 0 HG22 VAL A 88 -27.359 11.575 20.553 1.00 4.01 H new ATOM 0 HG23 VAL A 88 -28.569 11.054 19.357 1.00 4.01 H new ATOM 1340 N HIS A 89 -29.044 11.626 24.116 1.00 4.74 N ATOM 1341 CA HIS A 89 -28.139 11.504 25.306 1.00 4.87 C ATOM 1342 C HIS A 89 -26.739 12.069 25.003 1.00 4.51 C ATOM 1343 O HIS A 89 -25.733 11.407 25.184 1.00 4.67 O ATOM 1344 CB HIS A 89 -28.093 10.002 25.619 1.00 5.35 C ATOM 1345 CG HIS A 89 -28.934 9.717 26.832 1.00 5.77 C ATOM 1346 ND1 HIS A 89 -30.318 9.764 26.800 1.00 5.89 N ATOM 1347 CD2 HIS A 89 -28.601 9.372 28.118 1.00 6.13 C ATOM 1348 CE1 HIS A 89 -30.763 9.454 28.032 1.00 6.30 C ATOM 1349 NE2 HIS A 89 -29.758 9.208 28.874 1.00 6.46 N ATOM 0 H HIS A 89 -29.879 12.190 24.275 1.00 4.74 H new ATOM 0 HA HIS A 89 -28.503 12.079 26.158 1.00 4.87 H new ATOM 0 HB2 HIS A 89 -28.460 9.431 24.766 1.00 5.35 H new ATOM 0 HB3 HIS A 89 -27.064 9.688 25.794 1.00 5.35 H new ATOM 0 HD1 HIS A 89 -30.895 9.992 25.990 1.00 5.89 H new ATOM 0 HD2 HIS A 89 -27.594 9.247 28.487 1.00 6.13 H new ATOM 0 HE1 HIS A 89 -31.807 9.410 28.306 1.00 6.30 H new ATOM 1357 N GLY A 90 -26.676 13.303 24.564 1.00 4.11 N ATOM 1358 CA GLY A 90 -25.355 13.935 24.268 1.00 3.82 C ATOM 1359 C GLY A 90 -25.171 14.091 22.760 1.00 3.46 C ATOM 1360 O GLY A 90 -25.902 14.872 22.163 1.00 3.39 O ATOM 1361 OXT GLY A 90 -24.294 13.436 22.227 1.00 3.40 O ATOM 0 H GLY A 90 -27.486 13.900 24.398 1.00 4.11 H new ATOM 0 HA2 GLY A 90 -25.293 14.910 24.752 1.00 3.82 H new ATOM 0 HA3 GLY A 90 -24.551 13.324 24.679 1.00 3.82 H new TER 1365 GLY A 90