USER MOD reduce.3.24.130724 H: found=0, std=0, add=863, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 860 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 57 HIS : no HD1:sc= -5.29! C(o=-5!,f=-4!) USER MOD Set 1.2: A 74 SER OG : rot -160:sc= 0.496 USER MOD Set 1.3: A 78 THR OG1 : rot -100:sc= -0.162 USER MOD Single : A 1 GLY N :NH3+ -122:sc= 0.114 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 7:sc= 1.13 USER MOD Single : A 5 SER OG : rot 180:sc=-0.00965 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 150:sc= -0.87 USER MOD Single : A 12 SER OG : rot 69:sc= 0.546 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= -1.2 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -2.65! C(o=-2.7!,f=-9.6!) USER MOD Single : A 49 LYS NZ :NH3+ -140:sc= 0.0983 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.272 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 81:sc= 0.949 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.0341 X(o=-0.034,f=-0.19) USER MOD Single : A 70 GLN : amide:sc= -4.43! C(o=-4.4!,f=-3.6!) USER MOD Single : A 75 SER OG : rot 43:sc= 1.11 USER MOD Single : A 76 ASN : amide:sc= -0.0182 X(o=-0.018,f=0) USER MOD Single : A 81 ASN : amide:sc= -1.85! C(o=-1.8!,f=-5.8!) USER MOD Single : A 82 SER OG : rot 42:sc= 0.369 USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -1.34 X(o=-1.3,f=-1.1) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot 150:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= -0.113 USER MOD Single : A 110 ASN : amide:sc= -0.682 K(o=-0.68,f=-0.07) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -31.942 -17.385 -15.246 1.00 0.00 N ATOM 2 CA GLY A 1 -32.307 -17.719 -13.880 1.00 0.00 C ATOM 3 C GLY A 1 -32.093 -16.524 -12.948 1.00 0.00 C ATOM 4 O GLY A 1 -31.783 -15.424 -13.404 1.00 0.00 O ATOM 0 H1 GLY A 1 -32.761 -17.532 -15.870 1.00 0.00 H new ATOM 0 H2 GLY A 1 -31.646 -16.389 -15.293 1.00 0.00 H new ATOM 0 H3 GLY A 1 -31.158 -17.994 -15.555 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -33.351 -18.030 -13.844 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -31.710 -18.564 -13.537 1.00 0.00 H new ATOM 8 N SER A 2 -32.269 -16.780 -11.660 1.00 0.00 N ATOM 9 CA SER A 2 -32.099 -15.739 -10.661 1.00 0.00 C ATOM 10 C SER A 2 -30.780 -15.942 -9.912 1.00 0.00 C ATOM 11 O SER A 2 -30.662 -16.849 -9.090 1.00 0.00 O ATOM 12 CB SER A 2 -33.271 -15.724 -9.677 1.00 0.00 C ATOM 13 OG SER A 2 -34.297 -14.822 -10.082 1.00 0.00 O ATOM 0 H SER A 2 -32.527 -17.693 -11.285 1.00 0.00 H new ATOM 0 HA SER A 2 -32.075 -14.776 -11.171 1.00 0.00 H new ATOM 0 HB2 SER A 2 -33.685 -16.729 -9.591 1.00 0.00 H new ATOM 0 HB3 SER A 2 -32.910 -15.442 -8.688 1.00 0.00 H new ATOM 0 HG SER A 2 -35.027 -14.843 -9.429 1.00 0.00 H new ATOM 19 N SER A 3 -29.822 -15.082 -10.224 1.00 0.00 N ATOM 20 CA SER A 3 -28.516 -15.155 -9.592 1.00 0.00 C ATOM 21 C SER A 3 -27.768 -13.834 -9.781 1.00 0.00 C ATOM 22 O SER A 3 -28.082 -13.062 -10.686 1.00 0.00 O ATOM 23 CB SER A 3 -27.694 -16.316 -10.156 1.00 0.00 C ATOM 24 OG SER A 3 -28.141 -17.576 -9.663 1.00 0.00 O ATOM 0 H SER A 3 -29.924 -14.331 -10.906 1.00 0.00 H new ATOM 0 HA SER A 3 -28.662 -15.333 -8.527 1.00 0.00 H new ATOM 0 HB2 SER A 3 -27.757 -16.310 -11.244 1.00 0.00 H new ATOM 0 HB3 SER A 3 -26.645 -16.177 -9.896 1.00 0.00 H new ATOM 0 HG SER A 3 -28.966 -17.452 -9.149 1.00 0.00 H new ATOM 30 N GLY A 4 -26.791 -13.614 -8.913 1.00 0.00 N ATOM 31 CA GLY A 4 -25.996 -12.399 -8.973 1.00 0.00 C ATOM 32 C GLY A 4 -25.499 -12.139 -10.397 1.00 0.00 C ATOM 33 O GLY A 4 -25.565 -13.021 -11.252 1.00 0.00 O ATOM 0 H GLY A 4 -26.532 -14.257 -8.164 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -26.592 -11.553 -8.632 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -25.145 -12.483 -8.297 1.00 0.00 H new ATOM 37 N SER A 5 -25.013 -10.925 -10.607 1.00 0.00 N ATOM 38 CA SER A 5 -24.506 -10.538 -11.913 1.00 0.00 C ATOM 39 C SER A 5 -22.976 -10.529 -11.898 1.00 0.00 C ATOM 40 O SER A 5 -22.340 -11.222 -12.692 1.00 0.00 O ATOM 41 CB SER A 5 -25.040 -9.165 -12.326 1.00 0.00 C ATOM 42 OG SER A 5 -24.874 -8.195 -11.296 1.00 0.00 O ATOM 0 H SER A 5 -24.959 -10.196 -9.895 1.00 0.00 H new ATOM 0 HA SER A 5 -24.852 -11.268 -12.645 1.00 0.00 H new ATOM 0 HB2 SER A 5 -24.523 -8.831 -13.225 1.00 0.00 H new ATOM 0 HB3 SER A 5 -26.097 -9.248 -12.578 1.00 0.00 H new ATOM 0 HG SER A 5 -25.226 -7.332 -11.600 1.00 0.00 H new ATOM 48 N SER A 6 -22.429 -9.739 -10.986 1.00 0.00 N ATOM 49 CA SER A 6 -20.986 -9.631 -10.858 1.00 0.00 C ATOM 50 C SER A 6 -20.614 -9.273 -9.418 1.00 0.00 C ATOM 51 O SER A 6 -20.863 -8.155 -8.969 1.00 0.00 O ATOM 52 CB SER A 6 -20.422 -8.590 -11.827 1.00 0.00 C ATOM 53 OG SER A 6 -19.150 -8.972 -12.341 1.00 0.00 O ATOM 0 H SER A 6 -22.959 -9.167 -10.328 1.00 0.00 H new ATOM 0 HA SER A 6 -20.548 -10.596 -11.111 1.00 0.00 H new ATOM 0 HB2 SER A 6 -21.119 -8.449 -12.653 1.00 0.00 H new ATOM 0 HB3 SER A 6 -20.334 -7.631 -11.317 1.00 0.00 H new ATOM 0 HG SER A 6 -18.825 -8.282 -12.957 1.00 0.00 H new ATOM 59 N GLY A 7 -20.023 -10.242 -8.734 1.00 0.00 N ATOM 60 CA GLY A 7 -19.614 -10.042 -7.354 1.00 0.00 C ATOM 61 C GLY A 7 -18.259 -9.336 -7.280 1.00 0.00 C ATOM 62 O GLY A 7 -17.880 -8.613 -8.201 1.00 0.00 O ATOM 0 H GLY A 7 -19.818 -11.168 -9.110 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -20.365 -9.451 -6.831 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -19.555 -11.004 -6.846 1.00 0.00 H new ATOM 66 N MET A 8 -17.565 -9.571 -6.177 1.00 0.00 N ATOM 67 CA MET A 8 -16.259 -8.967 -5.971 1.00 0.00 C ATOM 68 C MET A 8 -15.419 -9.796 -4.998 1.00 0.00 C ATOM 69 O MET A 8 -15.889 -10.163 -3.922 1.00 0.00 O ATOM 70 CB MET A 8 -16.433 -7.551 -5.417 1.00 0.00 C ATOM 71 CG MET A 8 -15.623 -6.541 -6.231 1.00 0.00 C ATOM 72 SD MET A 8 -16.420 -4.944 -6.189 1.00 0.00 S ATOM 73 CE MET A 8 -16.121 -4.404 -7.864 1.00 0.00 C ATOM 0 H MET A 8 -17.882 -10.171 -5.416 1.00 0.00 H new ATOM 0 HA MET A 8 -15.741 -8.931 -6.929 1.00 0.00 H new ATOM 0 HB2 MET A 8 -17.488 -7.276 -5.436 1.00 0.00 H new ATOM 0 HB3 MET A 8 -16.115 -7.523 -4.375 1.00 0.00 H new ATOM 0 HG2 MET A 8 -14.613 -6.463 -5.828 1.00 0.00 H new ATOM 0 HG3 MET A 8 -15.530 -6.883 -7.262 1.00 0.00 H new ATOM 0 HE1 MET A 8 -16.556 -3.415 -8.011 1.00 0.00 H new ATOM 0 HE2 MET A 8 -15.047 -4.358 -8.045 1.00 0.00 H new ATOM 0 HE3 MET A 8 -16.577 -5.108 -8.560 1.00 0.00 H new ATOM 83 N VAL A 9 -14.189 -10.068 -5.411 1.00 0.00 N ATOM 84 CA VAL A 9 -13.279 -10.847 -4.590 1.00 0.00 C ATOM 85 C VAL A 9 -12.066 -9.988 -4.225 1.00 0.00 C ATOM 86 O VAL A 9 -11.865 -8.917 -4.795 1.00 0.00 O ATOM 87 CB VAL A 9 -12.899 -12.141 -5.313 1.00 0.00 C ATOM 88 CG1 VAL A 9 -14.133 -13.007 -5.571 1.00 0.00 C ATOM 89 CG2 VAL A 9 -12.155 -11.843 -6.616 1.00 0.00 C ATOM 0 H VAL A 9 -13.802 -9.762 -6.304 1.00 0.00 H new ATOM 0 HA VAL A 9 -13.762 -11.141 -3.658 1.00 0.00 H new ATOM 0 HB VAL A 9 -12.226 -12.702 -4.665 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -13.835 -13.920 -6.086 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -14.603 -13.262 -4.621 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -14.841 -12.456 -6.190 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -11.897 -12.780 -7.110 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -12.793 -11.251 -7.272 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -11.244 -11.286 -6.396 1.00 0.00 H new ATOM 99 N THR A 10 -11.289 -10.491 -3.276 1.00 0.00 N ATOM 100 CA THR A 10 -10.102 -9.783 -2.829 1.00 0.00 C ATOM 101 C THR A 10 -10.482 -8.421 -2.244 1.00 0.00 C ATOM 102 O THR A 10 -11.110 -7.606 -2.918 1.00 0.00 O ATOM 103 CB THR A 10 -9.134 -9.689 -4.010 1.00 0.00 C ATOM 104 OG1 THR A 10 -9.051 -11.025 -4.498 1.00 0.00 O ATOM 105 CG2 THR A 10 -7.705 -9.364 -3.571 1.00 0.00 C ATOM 0 H THR A 10 -11.459 -11.380 -2.805 1.00 0.00 H new ATOM 0 HA THR A 10 -9.602 -10.320 -2.023 1.00 0.00 H new ATOM 0 HB THR A 10 -9.483 -8.926 -4.705 1.00 0.00 H new ATOM 0 HG1 THR A 10 -8.878 -11.011 -5.463 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.059 -9.309 -4.447 1.00 0.00 H new ATOM 0 HG22 THR A 10 -7.693 -8.406 -3.050 1.00 0.00 H new ATOM 0 HG23 THR A 10 -7.343 -10.145 -2.902 1.00 0.00 H new ATOM 113 N PRO A 11 -10.073 -8.210 -0.965 1.00 0.00 N ATOM 114 CA PRO A 11 -10.363 -6.961 -0.282 1.00 0.00 C ATOM 115 C PRO A 11 -9.462 -5.835 -0.792 1.00 0.00 C ATOM 116 O PRO A 11 -8.318 -6.076 -1.175 1.00 0.00 O ATOM 117 CB PRO A 11 -10.160 -7.263 1.194 1.00 0.00 C ATOM 118 CG PRO A 11 -9.319 -8.527 1.249 1.00 0.00 C ATOM 119 CD PRO A 11 -9.326 -9.153 -0.136 1.00 0.00 C ATOM 0 HA PRO A 11 -11.377 -6.607 -0.466 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -9.657 -6.437 1.696 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -11.116 -7.407 1.698 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -8.300 -8.294 1.557 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -9.723 -9.223 1.984 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -8.313 -9.294 -0.512 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -9.802 -10.134 -0.125 1.00 0.00 H new ATOM 127 N SER A 12 -10.010 -4.629 -0.779 1.00 0.00 N ATOM 128 CA SER A 12 -9.269 -3.465 -1.235 1.00 0.00 C ATOM 129 C SER A 12 -8.105 -3.181 -0.285 1.00 0.00 C ATOM 130 O SER A 12 -8.192 -3.460 0.910 1.00 0.00 O ATOM 131 CB SER A 12 -10.180 -2.240 -1.342 1.00 0.00 C ATOM 132 OG SER A 12 -9.490 -1.034 -1.026 1.00 0.00 O ATOM 0 H SER A 12 -10.959 -4.432 -0.460 1.00 0.00 H new ATOM 0 HA SER A 12 -8.874 -3.678 -2.228 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.582 -2.174 -2.353 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.029 -2.359 -0.669 1.00 0.00 H new ATOM 0 HG SER A 12 -8.835 -0.839 -1.728 1.00 0.00 H new ATOM 138 N LEU A 13 -7.042 -2.628 -0.851 1.00 0.00 N ATOM 139 CA LEU A 13 -5.862 -2.302 -0.069 1.00 0.00 C ATOM 140 C LEU A 13 -5.972 -0.862 0.438 1.00 0.00 C ATOM 141 O LEU A 13 -5.992 0.078 -0.355 1.00 0.00 O ATOM 142 CB LEU A 13 -4.592 -2.574 -0.877 1.00 0.00 C ATOM 143 CG LEU A 13 -3.269 -2.363 -0.138 1.00 0.00 C ATOM 144 CD1 LEU A 13 -3.132 -3.339 1.032 1.00 0.00 C ATOM 145 CD2 LEU A 13 -2.083 -2.453 -1.101 1.00 0.00 C ATOM 0 H LEU A 13 -6.974 -2.398 -1.842 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.798 -2.945 0.809 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.626 -3.603 -1.234 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.600 -1.931 -1.757 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.269 -1.357 0.281 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.183 -3.167 1.540 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.952 -3.184 1.733 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.163 -4.362 0.658 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.155 -2.299 -0.550 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.069 -3.437 -1.569 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.180 -1.687 -1.870 1.00 0.00 H new ATOM 157 N ARG A 14 -6.042 -0.736 1.755 1.00 0.00 N ATOM 158 CA ARG A 14 -6.150 0.573 2.376 1.00 0.00 C ATOM 159 C ARG A 14 -4.893 0.878 3.194 1.00 0.00 C ATOM 160 O ARG A 14 -4.712 0.340 4.285 1.00 0.00 O ATOM 161 CB ARG A 14 -7.375 0.650 3.289 1.00 0.00 C ATOM 162 CG ARG A 14 -7.217 1.765 4.326 1.00 0.00 C ATOM 163 CD ARG A 14 -8.577 2.192 4.883 1.00 0.00 C ATOM 164 NE ARG A 14 -9.386 0.997 5.214 1.00 0.00 N ATOM 165 CZ ARG A 14 -10.517 1.031 5.931 1.00 0.00 C ATOM 166 NH1 ARG A 14 -10.980 2.199 6.397 1.00 0.00 N ATOM 167 NH2 ARG A 14 -11.185 -0.102 6.183 1.00 0.00 N ATOM 0 H ARG A 14 -6.026 -1.519 2.409 1.00 0.00 H new ATOM 0 HA ARG A 14 -6.257 1.310 1.580 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -8.268 0.829 2.691 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -7.516 -0.305 3.795 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -6.578 1.422 5.140 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -6.721 2.622 3.871 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -8.438 2.806 5.773 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -9.102 2.806 4.151 1.00 0.00 H new ATOM 0 HE ARG A 14 -9.062 0.091 4.875 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -10.471 3.062 6.206 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -11.841 2.225 6.943 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -10.833 -0.991 5.829 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -12.046 -0.076 6.729 1.00 0.00 H new ATOM 181 N LEU A 15 -4.056 1.740 2.634 1.00 0.00 N ATOM 182 CA LEU A 15 -2.821 2.123 3.298 1.00 0.00 C ATOM 183 C LEU A 15 -3.077 3.353 4.170 1.00 0.00 C ATOM 184 O LEU A 15 -3.273 4.453 3.656 1.00 0.00 O ATOM 185 CB LEU A 15 -1.701 2.316 2.274 1.00 0.00 C ATOM 186 CG LEU A 15 -1.223 1.052 1.557 1.00 0.00 C ATOM 187 CD1 LEU A 15 -0.353 1.404 0.348 1.00 0.00 C ATOM 188 CD2 LEU A 15 -0.504 0.111 2.525 1.00 0.00 C ATOM 0 H LEU A 15 -4.209 2.184 1.728 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.481 1.327 3.961 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.041 3.029 1.523 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.848 2.768 2.779 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.098 0.521 1.182 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.026 0.488 -0.144 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.931 2.006 -0.353 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.518 1.969 0.679 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.175 -0.779 1.990 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.361 0.619 2.951 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.185 -0.178 3.325 1.00 0.00 H new ATOM 200 N VAL A 16 -3.066 3.126 5.476 1.00 0.00 N ATOM 201 CA VAL A 16 -3.294 4.203 6.424 1.00 0.00 C ATOM 202 C VAL A 16 -1.949 4.698 6.961 1.00 0.00 C ATOM 203 O VAL A 16 -1.158 3.913 7.481 1.00 0.00 O ATOM 204 CB VAL A 16 -4.242 3.734 7.530 1.00 0.00 C ATOM 205 CG1 VAL A 16 -4.455 4.834 8.572 1.00 0.00 C ATOM 206 CG2 VAL A 16 -5.576 3.266 6.945 1.00 0.00 C ATOM 0 H VAL A 16 -2.903 2.212 5.899 1.00 0.00 H new ATOM 0 HA VAL A 16 -3.779 5.047 5.933 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.779 2.884 8.031 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -5.133 4.475 9.347 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -3.498 5.100 9.021 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -4.886 5.712 8.091 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.232 2.938 7.751 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -6.046 4.089 6.407 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.402 2.437 6.259 1.00 0.00 H new ATOM 216 N PHE A 17 -1.731 5.996 6.815 1.00 0.00 N ATOM 217 CA PHE A 17 -0.496 6.605 7.278 1.00 0.00 C ATOM 218 C PHE A 17 -0.560 6.904 8.777 1.00 0.00 C ATOM 219 O PHE A 17 -0.971 7.992 9.179 1.00 0.00 O ATOM 220 CB PHE A 17 -0.331 7.920 6.514 1.00 0.00 C ATOM 221 CG PHE A 17 0.257 7.755 5.111 1.00 0.00 C ATOM 222 CD1 PHE A 17 1.557 7.389 4.957 1.00 0.00 C ATOM 223 CD2 PHE A 17 -0.522 7.975 4.017 1.00 0.00 C ATOM 224 CE1 PHE A 17 2.103 7.236 3.655 1.00 0.00 C ATOM 225 CE2 PHE A 17 0.024 7.822 2.715 1.00 0.00 C ATOM 226 CZ PHE A 17 1.324 7.455 2.562 1.00 0.00 C ATOM 0 H PHE A 17 -2.389 6.644 6.382 1.00 0.00 H new ATOM 0 HA PHE A 17 0.340 5.927 7.106 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.303 8.407 6.434 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.312 8.585 7.090 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.175 7.214 5.825 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -1.555 8.266 4.139 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.136 6.946 3.533 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.593 7.997 1.846 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.738 7.337 1.572 1.00 0.00 H new ATOM 236 N VAL A 18 -0.149 5.920 9.563 1.00 0.00 N ATOM 237 CA VAL A 18 -0.155 6.065 11.009 1.00 0.00 C ATOM 238 C VAL A 18 0.999 6.976 11.431 1.00 0.00 C ATOM 239 O VAL A 18 0.906 7.675 12.439 1.00 0.00 O ATOM 240 CB VAL A 18 -0.102 4.687 11.672 1.00 0.00 C ATOM 241 CG1 VAL A 18 -1.449 3.972 11.559 1.00 0.00 C ATOM 242 CG2 VAL A 18 1.023 3.836 11.080 1.00 0.00 C ATOM 0 H VAL A 18 0.190 5.019 9.226 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.079 6.537 11.342 1.00 0.00 H new ATOM 0 HB VAL A 18 0.111 4.833 12.731 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.384 2.995 12.038 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.219 4.567 12.051 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.706 3.844 10.507 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.038 2.862 11.569 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.855 3.703 10.011 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.979 4.336 11.237 1.00 0.00 H new ATOM 252 N LYS A 19 2.060 6.940 10.638 1.00 0.00 N ATOM 253 CA LYS A 19 3.231 7.754 10.917 1.00 0.00 C ATOM 254 C LYS A 19 3.763 8.340 9.607 1.00 0.00 C ATOM 255 O LYS A 19 3.238 8.048 8.534 1.00 0.00 O ATOM 256 CB LYS A 19 4.271 6.948 11.697 1.00 0.00 C ATOM 257 CG LYS A 19 3.683 6.417 13.006 1.00 0.00 C ATOM 258 CD LYS A 19 4.739 6.396 14.113 1.00 0.00 C ATOM 259 CE LYS A 19 4.346 5.425 15.228 1.00 0.00 C ATOM 260 NZ LYS A 19 3.797 6.162 16.388 1.00 0.00 N ATOM 0 H LYS A 19 2.133 6.360 9.802 1.00 0.00 H new ATOM 0 HA LYS A 19 2.966 8.594 11.559 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.623 6.115 11.088 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.137 7.575 11.911 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.843 7.041 13.311 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.293 5.411 12.852 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.703 6.105 13.695 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.860 7.398 14.524 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.606 4.716 14.857 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.216 4.845 15.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 3.535 5.488 17.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.515 6.821 16.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.955 6.696 16.093 1.00 0.00 H new ATOM 274 N GLY A 20 4.799 9.155 9.738 1.00 0.00 N ATOM 275 CA GLY A 20 5.409 9.784 8.579 1.00 0.00 C ATOM 276 C GLY A 20 4.885 11.209 8.389 1.00 0.00 C ATOM 277 O GLY A 20 4.197 11.742 9.259 1.00 0.00 O ATOM 0 H GLY A 20 5.232 9.395 10.630 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.492 9.804 8.700 1.00 0.00 H new ATOM 0 HA3 GLY A 20 5.199 9.193 7.687 1.00 0.00 H new ATOM 281 N PRO A 21 5.239 11.800 7.217 1.00 0.00 N ATOM 282 CA PRO A 21 4.812 13.153 6.902 1.00 0.00 C ATOM 283 C PRO A 21 3.333 13.184 6.511 1.00 0.00 C ATOM 284 O PRO A 21 2.692 14.232 6.575 1.00 0.00 O ATOM 285 CB PRO A 21 5.732 13.605 5.780 1.00 0.00 C ATOM 286 CG PRO A 21 6.329 12.336 5.194 1.00 0.00 C ATOM 287 CD PRO A 21 6.052 11.199 6.164 1.00 0.00 C ATOM 0 HA PRO A 21 4.886 13.827 7.756 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.180 14.163 5.023 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.512 14.266 6.157 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.890 12.122 4.220 1.00 0.00 H new ATOM 0 HG3 PRO A 21 7.402 12.454 5.041 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.524 10.381 5.674 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.978 10.786 6.565 1.00 0.00 H new ATOM 295 N ARG A 22 2.834 12.023 6.115 1.00 0.00 N ATOM 296 CA ARG A 22 1.442 11.904 5.714 1.00 0.00 C ATOM 297 C ARG A 22 0.601 11.358 6.870 1.00 0.00 C ATOM 298 O ARG A 22 -0.593 11.110 6.710 1.00 0.00 O ATOM 299 CB ARG A 22 1.295 10.979 4.504 1.00 0.00 C ATOM 300 CG ARG A 22 1.253 11.782 3.202 1.00 0.00 C ATOM 301 CD ARG A 22 1.937 11.019 2.065 1.00 0.00 C ATOM 302 NE ARG A 22 1.119 11.105 0.835 1.00 0.00 N ATOM 303 CZ ARG A 22 1.017 12.204 0.075 1.00 0.00 C ATOM 304 NH1 ARG A 22 1.682 13.317 0.415 1.00 0.00 N ATOM 305 NH2 ARG A 22 0.252 12.191 -1.024 1.00 0.00 N ATOM 0 H ARG A 22 3.368 11.156 6.063 1.00 0.00 H new ATOM 0 HA ARG A 22 1.089 12.899 5.442 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.128 10.276 4.475 1.00 0.00 H new ATOM 0 HB3 ARG A 22 0.384 10.389 4.601 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.218 11.992 2.933 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.745 12.743 3.347 1.00 0.00 H new ATOM 0 HD2 ARG A 22 2.928 11.434 1.882 1.00 0.00 H new ATOM 0 HD3 ARG A 22 2.075 9.975 2.348 1.00 0.00 H new ATOM 0 HE ARG A 22 0.600 10.275 0.547 1.00 0.00 H new ATOM 0 HH11 ARG A 22 2.265 13.327 1.252 1.00 0.00 H new ATOM 0 HH12 ARG A 22 1.605 14.154 -0.163 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -0.254 11.344 -1.283 1.00 0.00 H new ATOM 0 HH22 ARG A 22 0.175 13.028 -1.602 1.00 0.00 H new ATOM 319 N GLU A 23 1.258 11.186 8.008 1.00 0.00 N ATOM 320 CA GLU A 23 0.586 10.674 9.190 1.00 0.00 C ATOM 321 C GLU A 23 -0.814 11.281 9.309 1.00 0.00 C ATOM 322 O GLU A 23 -0.957 12.485 9.517 1.00 0.00 O ATOM 323 CB GLU A 23 1.410 10.945 10.450 1.00 0.00 C ATOM 324 CG GLU A 23 0.685 10.439 11.698 1.00 0.00 C ATOM 325 CD GLU A 23 -0.032 11.584 12.417 1.00 0.00 C ATOM 326 OE1 GLU A 23 0.573 12.675 12.492 1.00 0.00 O ATOM 327 OE2 GLU A 23 -1.170 11.342 12.876 1.00 0.00 O ATOM 0 H GLU A 23 2.249 11.392 8.136 1.00 0.00 H new ATOM 0 HA GLU A 23 0.485 9.594 9.087 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.381 10.457 10.366 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.598 12.015 10.543 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.037 9.672 11.418 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.401 9.971 12.374 1.00 0.00 H new ATOM 334 N GLY A 24 -1.811 10.419 9.172 1.00 0.00 N ATOM 335 CA GLY A 24 -3.194 10.855 9.261 1.00 0.00 C ATOM 336 C GLY A 24 -3.900 10.721 7.911 1.00 0.00 C ATOM 337 O GLY A 24 -5.087 11.022 7.794 1.00 0.00 O ATOM 0 H GLY A 24 -1.688 9.421 9.000 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.718 10.262 10.010 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.231 11.892 9.593 1.00 0.00 H new ATOM 341 N ASP A 25 -3.140 10.269 6.924 1.00 0.00 N ATOM 342 CA ASP A 25 -3.678 10.091 5.586 1.00 0.00 C ATOM 343 C ASP A 25 -3.936 8.604 5.338 1.00 0.00 C ATOM 344 O ASP A 25 -3.355 7.750 6.006 1.00 0.00 O ATOM 345 CB ASP A 25 -2.691 10.583 4.526 1.00 0.00 C ATOM 346 CG ASP A 25 -2.680 12.097 4.305 1.00 0.00 C ATOM 347 OD1 ASP A 25 -3.639 12.584 3.669 1.00 0.00 O ATOM 348 OD2 ASP A 25 -1.712 12.732 4.777 1.00 0.00 O ATOM 0 H ASP A 25 -2.156 10.021 7.024 1.00 0.00 H new ATOM 0 HA ASP A 25 -4.601 10.667 5.514 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.688 10.265 4.810 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.924 10.095 3.580 1.00 0.00 H new ATOM 353 N ALA A 26 -4.808 8.339 4.376 1.00 0.00 N ATOM 354 CA ALA A 26 -5.150 6.970 4.032 1.00 0.00 C ATOM 355 C ALA A 26 -5.632 6.919 2.581 1.00 0.00 C ATOM 356 O ALA A 26 -6.255 7.862 2.096 1.00 0.00 O ATOM 357 CB ALA A 26 -6.199 6.443 5.014 1.00 0.00 C ATOM 0 H ALA A 26 -5.288 9.050 3.824 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.276 6.324 4.112 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.456 5.416 4.756 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.797 6.473 6.027 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.093 7.065 4.960 1.00 0.00 H new ATOM 363 N LEU A 27 -5.326 5.807 1.928 1.00 0.00 N ATOM 364 CA LEU A 27 -5.721 5.620 0.542 1.00 0.00 C ATOM 365 C LEU A 27 -6.387 4.252 0.386 1.00 0.00 C ATOM 366 O LEU A 27 -6.397 3.452 1.320 1.00 0.00 O ATOM 367 CB LEU A 27 -4.525 5.831 -0.388 1.00 0.00 C ATOM 368 CG LEU A 27 -3.750 7.137 -0.199 1.00 0.00 C ATOM 369 CD1 LEU A 27 -2.241 6.892 -0.254 1.00 0.00 C ATOM 370 CD2 LEU A 27 -4.197 8.192 -1.214 1.00 0.00 C ATOM 0 H LEU A 27 -4.809 5.027 2.333 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.458 6.369 0.251 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.834 4.999 -0.253 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.879 5.788 -1.418 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.977 7.528 0.793 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.714 7.836 -0.117 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.956 6.199 0.538 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.977 6.466 -1.222 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.631 9.110 -1.058 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.019 7.823 -2.224 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.260 8.395 -1.084 1.00 0.00 H new ATOM 382 N ASP A 28 -6.929 4.025 -0.802 1.00 0.00 N ATOM 383 CA ASP A 28 -7.596 2.767 -1.092 1.00 0.00 C ATOM 384 C ASP A 28 -7.414 2.429 -2.573 1.00 0.00 C ATOM 385 O ASP A 28 -7.384 3.322 -3.419 1.00 0.00 O ATOM 386 CB ASP A 28 -9.096 2.862 -0.810 1.00 0.00 C ATOM 387 CG ASP A 28 -9.858 3.856 -1.689 1.00 0.00 C ATOM 388 OD1 ASP A 28 -9.841 5.055 -1.336 1.00 0.00 O ATOM 389 OD2 ASP A 28 -10.441 3.395 -2.694 1.00 0.00 O ATOM 0 H ASP A 28 -6.920 4.691 -1.575 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.158 1.998 -0.456 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -9.538 1.874 -0.938 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -9.237 3.141 0.234 1.00 0.00 H new ATOM 394 N TYR A 29 -7.296 1.137 -2.842 1.00 0.00 N ATOM 395 CA TYR A 29 -7.118 0.669 -4.206 1.00 0.00 C ATOM 396 C TYR A 29 -7.800 -0.684 -4.415 1.00 0.00 C ATOM 397 O TYR A 29 -8.035 -1.420 -3.458 1.00 0.00 O ATOM 398 CB TYR A 29 -5.610 0.501 -4.400 1.00 0.00 C ATOM 399 CG TYR A 29 -4.806 1.782 -4.168 1.00 0.00 C ATOM 400 CD1 TYR A 29 -4.393 2.116 -2.894 1.00 0.00 C ATOM 401 CD2 TYR A 29 -4.494 2.604 -5.232 1.00 0.00 C ATOM 402 CE1 TYR A 29 -3.637 3.322 -2.675 1.00 0.00 C ATOM 403 CE2 TYR A 29 -3.738 3.810 -5.013 1.00 0.00 C ATOM 404 CZ TYR A 29 -3.347 4.109 -3.745 1.00 0.00 C ATOM 405 OH TYR A 29 -2.632 5.248 -3.538 1.00 0.00 O ATOM 0 H TYR A 29 -7.320 0.399 -2.138 1.00 0.00 H new ATOM 0 HA TYR A 29 -7.555 1.373 -4.914 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -5.250 -0.270 -3.719 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -5.422 0.145 -5.413 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -4.637 1.473 -2.061 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -4.817 2.343 -6.229 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -3.308 3.595 -1.683 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -3.487 4.462 -5.837 1.00 0.00 H new ATOM 0 HH TYR A 29 -2.498 5.710 -4.392 1.00 0.00 H new ATOM 415 N LYS A 30 -8.100 -0.972 -5.674 1.00 0.00 N ATOM 416 CA LYS A 30 -8.751 -2.223 -6.021 1.00 0.00 C ATOM 417 C LYS A 30 -7.714 -3.348 -6.025 1.00 0.00 C ATOM 418 O LYS A 30 -6.513 -3.090 -6.081 1.00 0.00 O ATOM 419 CB LYS A 30 -9.512 -2.083 -7.341 1.00 0.00 C ATOM 420 CG LYS A 30 -10.940 -1.588 -7.101 1.00 0.00 C ATOM 421 CD LYS A 30 -11.764 -1.647 -8.388 1.00 0.00 C ATOM 422 CE LYS A 30 -13.146 -1.024 -8.183 1.00 0.00 C ATOM 423 NZ LYS A 30 -13.983 -1.211 -9.389 1.00 0.00 N ATOM 0 H LYS A 30 -7.904 -0.360 -6.466 1.00 0.00 H new ATOM 0 HA LYS A 30 -9.501 -2.483 -5.274 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -8.987 -1.387 -7.995 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.538 -3.045 -7.854 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -11.415 -2.197 -6.332 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -10.916 -0.564 -6.727 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -11.239 -1.121 -9.185 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -11.872 -2.683 -8.708 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -13.633 -1.480 -7.321 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -13.044 0.039 -7.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -14.918 -0.782 -9.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -13.525 -0.755 -10.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -14.096 -2.227 -9.579 1.00 0.00 H new ATOM 437 N PRO A 31 -8.230 -4.605 -5.963 1.00 0.00 N ATOM 438 CA PRO A 31 -7.362 -5.771 -5.959 1.00 0.00 C ATOM 439 C PRO A 31 -6.793 -6.035 -7.355 1.00 0.00 C ATOM 440 O PRO A 31 -7.533 -6.054 -8.337 1.00 0.00 O ATOM 441 CB PRO A 31 -8.232 -6.907 -5.447 1.00 0.00 C ATOM 442 CG PRO A 31 -9.669 -6.445 -5.624 1.00 0.00 C ATOM 443 CD PRO A 31 -9.647 -4.949 -5.895 1.00 0.00 C ATOM 0 HA PRO A 31 -6.486 -5.642 -5.324 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -8.045 -7.824 -6.006 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -8.017 -7.122 -4.400 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -10.142 -6.976 -6.450 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -10.253 -6.663 -4.730 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -10.158 -4.708 -6.827 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -10.151 -4.396 -5.103 1.00 0.00 H new ATOM 451 N GLY A 32 -5.484 -6.234 -7.397 1.00 0.00 N ATOM 452 CA GLY A 32 -4.807 -6.497 -8.656 1.00 0.00 C ATOM 453 C GLY A 32 -4.201 -5.215 -9.231 1.00 0.00 C ATOM 454 O GLY A 32 -3.840 -5.168 -10.406 1.00 0.00 O ATOM 0 H GLY A 32 -4.874 -6.218 -6.580 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.022 -7.238 -8.503 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -5.512 -6.922 -9.370 1.00 0.00 H new ATOM 458 N SER A 33 -4.109 -4.207 -8.376 1.00 0.00 N ATOM 459 CA SER A 33 -3.553 -2.928 -8.785 1.00 0.00 C ATOM 460 C SER A 33 -2.260 -2.651 -8.016 1.00 0.00 C ATOM 461 O SER A 33 -2.296 -2.314 -6.833 1.00 0.00 O ATOM 462 CB SER A 33 -4.556 -1.795 -8.562 1.00 0.00 C ATOM 463 OG SER A 33 -5.319 -1.519 -9.733 1.00 0.00 O ATOM 0 H SER A 33 -4.410 -4.250 -7.402 1.00 0.00 H new ATOM 0 HA SER A 33 -3.332 -2.976 -9.851 1.00 0.00 H new ATOM 0 HB2 SER A 33 -5.228 -2.061 -7.746 1.00 0.00 H new ATOM 0 HB3 SER A 33 -4.024 -0.895 -8.256 1.00 0.00 H new ATOM 0 HG SER A 33 -5.949 -0.791 -9.549 1.00 0.00 H new ATOM 469 N THR A 34 -1.147 -2.801 -8.719 1.00 0.00 N ATOM 470 CA THR A 34 0.156 -2.571 -8.118 1.00 0.00 C ATOM 471 C THR A 34 0.272 -1.124 -7.636 1.00 0.00 C ATOM 472 O THR A 34 -0.002 -0.191 -8.389 1.00 0.00 O ATOM 473 CB THR A 34 1.224 -2.959 -9.141 1.00 0.00 C ATOM 474 OG1 THR A 34 1.150 -4.381 -9.200 1.00 0.00 O ATOM 475 CG2 THR A 34 2.643 -2.680 -8.641 1.00 0.00 C ATOM 0 H THR A 34 -1.121 -3.079 -9.700 1.00 0.00 H new ATOM 0 HA THR A 34 0.297 -3.188 -7.231 1.00 0.00 H new ATOM 0 HB THR A 34 1.052 -2.413 -10.069 1.00 0.00 H new ATOM 0 HG1 THR A 34 1.809 -4.717 -9.843 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.362 -2.974 -9.405 1.00 0.00 H new ATOM 0 HG22 THR A 34 2.752 -1.616 -8.430 1.00 0.00 H new ATOM 0 HG23 THR A 34 2.827 -3.251 -7.731 1.00 0.00 H new ATOM 483 N ILE A 35 0.679 -0.982 -6.383 1.00 0.00 N ATOM 484 CA ILE A 35 0.836 0.336 -5.792 1.00 0.00 C ATOM 485 C ILE A 35 2.313 0.577 -5.476 1.00 0.00 C ATOM 486 O ILE A 35 2.838 0.043 -4.500 1.00 0.00 O ATOM 487 CB ILE A 35 -0.086 0.492 -4.580 1.00 0.00 C ATOM 488 CG1 ILE A 35 -1.542 0.213 -4.959 1.00 0.00 C ATOM 489 CG2 ILE A 35 0.085 1.869 -3.936 1.00 0.00 C ATOM 490 CD1 ILE A 35 -2.117 -0.929 -4.119 1.00 0.00 C ATOM 0 H ILE A 35 0.905 -1.758 -5.761 1.00 0.00 H new ATOM 0 HA ILE A 35 0.531 1.109 -6.498 1.00 0.00 H new ATOM 0 HB ILE A 35 0.200 -0.250 -3.835 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.139 1.113 -4.813 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.604 -0.042 -6.017 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.581 1.954 -3.077 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.117 1.992 -3.608 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.159 2.644 -4.663 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.153 -1.107 -4.408 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.533 -1.834 -4.286 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.076 -0.661 -3.063 1.00 0.00 H new ATOM 502 N ARG A 36 2.943 1.381 -6.320 1.00 0.00 N ATOM 503 CA ARG A 36 4.349 1.699 -6.143 1.00 0.00 C ATOM 504 C ARG A 36 4.515 2.824 -5.119 1.00 0.00 C ATOM 505 O ARG A 36 4.166 3.971 -5.391 1.00 0.00 O ATOM 506 CB ARG A 36 4.988 2.125 -7.466 1.00 0.00 C ATOM 507 CG ARG A 36 4.787 1.056 -8.542 1.00 0.00 C ATOM 508 CD ARG A 36 4.257 1.674 -9.837 1.00 0.00 C ATOM 509 NE ARG A 36 2.777 1.634 -9.849 1.00 0.00 N ATOM 510 CZ ARG A 36 2.028 1.869 -10.934 1.00 0.00 C ATOM 511 NH1 ARG A 36 2.615 2.163 -12.102 1.00 0.00 N ATOM 512 NH2 ARG A 36 0.692 1.811 -10.852 1.00 0.00 N ATOM 0 H ARG A 36 2.505 1.822 -7.129 1.00 0.00 H new ATOM 0 HA ARG A 36 4.849 0.800 -5.784 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.551 3.067 -7.798 1.00 0.00 H new ATOM 0 HB3 ARG A 36 6.053 2.302 -7.319 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.732 0.549 -8.737 1.00 0.00 H new ATOM 0 HG3 ARG A 36 4.088 0.300 -8.183 1.00 0.00 H new ATOM 0 HD2 ARG A 36 4.602 2.704 -9.926 1.00 0.00 H new ATOM 0 HD3 ARG A 36 4.651 1.131 -10.696 1.00 0.00 H new ATOM 0 HE ARG A 36 2.298 1.414 -8.976 1.00 0.00 H new ATOM 0 HH11 ARG A 36 3.632 2.208 -12.165 1.00 0.00 H new ATOM 0 HH12 ARG A 36 2.045 2.342 -12.929 1.00 0.00 H new ATOM 0 HH21 ARG A 36 0.245 1.588 -9.963 1.00 0.00 H new ATOM 0 HH22 ARG A 36 0.122 1.990 -11.679 1.00 0.00 H new ATOM 526 N VAL A 37 5.046 2.455 -3.963 1.00 0.00 N ATOM 527 CA VAL A 37 5.262 3.418 -2.897 1.00 0.00 C ATOM 528 C VAL A 37 6.709 3.912 -2.947 1.00 0.00 C ATOM 529 O VAL A 37 7.643 3.127 -2.791 1.00 0.00 O ATOM 530 CB VAL A 37 4.887 2.800 -1.548 1.00 0.00 C ATOM 531 CG1 VAL A 37 5.317 3.705 -0.392 1.00 0.00 C ATOM 532 CG2 VAL A 37 3.389 2.498 -1.481 1.00 0.00 C ATOM 0 H VAL A 37 5.333 1.502 -3.741 1.00 0.00 H new ATOM 0 HA VAL A 37 4.617 4.287 -3.031 1.00 0.00 H new ATOM 0 HB VAL A 37 5.423 1.856 -1.451 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.039 3.243 0.555 1.00 0.00 H new ATOM 0 HG12 VAL A 37 6.397 3.847 -0.423 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.822 4.672 -0.483 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.149 2.060 -0.512 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.825 3.422 -1.611 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.123 1.797 -2.272 1.00 0.00 H new ATOM 542 N GLY A 38 6.850 5.212 -3.164 1.00 0.00 N ATOM 543 CA GLY A 38 8.168 5.820 -3.237 1.00 0.00 C ATOM 544 C GLY A 38 8.177 7.190 -2.556 1.00 0.00 C ATOM 545 O GLY A 38 7.426 7.422 -1.610 1.00 0.00 O ATOM 0 H GLY A 38 6.073 5.861 -3.292 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.900 5.168 -2.761 1.00 0.00 H new ATOM 0 HA3 GLY A 38 8.466 5.926 -4.280 1.00 0.00 H new ATOM 549 N ARG A 39 9.037 8.061 -3.064 1.00 0.00 N ATOM 550 CA ARG A 39 9.155 9.402 -2.516 1.00 0.00 C ATOM 551 C ARG A 39 8.513 10.419 -3.462 1.00 0.00 C ATOM 552 O ARG A 39 8.138 11.513 -3.041 1.00 0.00 O ATOM 553 CB ARG A 39 10.620 9.779 -2.292 1.00 0.00 C ATOM 554 CG ARG A 39 10.762 11.271 -1.986 1.00 0.00 C ATOM 555 CD ARG A 39 12.165 11.593 -1.466 1.00 0.00 C ATOM 556 NE ARG A 39 12.756 12.697 -2.255 1.00 0.00 N ATOM 557 CZ ARG A 39 13.954 13.243 -2.003 1.00 0.00 C ATOM 558 NH1 ARG A 39 14.695 12.791 -0.982 1.00 0.00 N ATOM 559 NH2 ARG A 39 14.410 14.241 -2.771 1.00 0.00 N ATOM 0 H ARG A 39 9.658 7.864 -3.849 1.00 0.00 H new ATOM 0 HA ARG A 39 8.638 9.415 -1.556 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.027 9.195 -1.467 1.00 0.00 H new ATOM 0 HB3 ARG A 39 11.203 9.529 -3.178 1.00 0.00 H new ATOM 0 HG2 ARG A 39 10.562 11.851 -2.887 1.00 0.00 H new ATOM 0 HG3 ARG A 39 10.019 11.566 -1.245 1.00 0.00 H new ATOM 0 HD2 ARG A 39 12.116 11.873 -0.414 1.00 0.00 H new ATOM 0 HD3 ARG A 39 12.798 10.708 -1.532 1.00 0.00 H new ATOM 0 HE ARG A 39 12.218 13.065 -3.039 1.00 0.00 H new ATOM 0 HH11 ARG A 39 14.347 12.031 -0.397 1.00 0.00 H new ATOM 0 HH12 ARG A 39 15.607 13.206 -0.790 1.00 0.00 H new ATOM 0 HH21 ARG A 39 13.846 14.586 -3.548 1.00 0.00 H new ATOM 0 HH22 ARG A 39 15.322 14.656 -2.579 1.00 0.00 H new ATOM 573 N ILE A 40 8.406 10.023 -4.722 1.00 0.00 N ATOM 574 CA ILE A 40 7.816 10.887 -5.730 1.00 0.00 C ATOM 575 C ILE A 40 6.532 10.245 -6.258 1.00 0.00 C ATOM 576 O ILE A 40 6.495 9.042 -6.513 1.00 0.00 O ATOM 577 CB ILE A 40 8.837 11.209 -6.824 1.00 0.00 C ATOM 578 CG1 ILE A 40 9.508 9.934 -7.339 1.00 0.00 C ATOM 579 CG2 ILE A 40 9.859 12.237 -6.334 1.00 0.00 C ATOM 580 CD1 ILE A 40 10.051 10.135 -8.756 1.00 0.00 C ATOM 0 H ILE A 40 8.718 9.115 -5.068 1.00 0.00 H new ATOM 0 HA ILE A 40 7.537 11.846 -5.293 1.00 0.00 H new ATOM 0 HB ILE A 40 8.308 11.657 -7.665 1.00 0.00 H new ATOM 0 HG12 ILE A 40 10.321 9.651 -6.671 1.00 0.00 H new ATOM 0 HG13 ILE A 40 8.791 9.113 -7.333 1.00 0.00 H new ATOM 0 HG21 ILE A 40 10.573 12.448 -7.130 1.00 0.00 H new ATOM 0 HG22 ILE A 40 9.345 13.156 -6.054 1.00 0.00 H new ATOM 0 HG23 ILE A 40 10.388 11.840 -5.468 1.00 0.00 H new ATOM 0 HD11 ILE A 40 10.523 9.214 -9.099 1.00 0.00 H new ATOM 0 HD12 ILE A 40 9.231 10.394 -9.426 1.00 0.00 H new ATOM 0 HD13 ILE A 40 10.786 10.940 -8.753 1.00 0.00 H new ATOM 592 N VAL A 41 5.510 11.075 -6.405 1.00 0.00 N ATOM 593 CA VAL A 41 4.227 10.603 -6.897 1.00 0.00 C ATOM 594 C VAL A 41 4.305 10.417 -8.414 1.00 0.00 C ATOM 595 O VAL A 41 3.567 9.613 -8.982 1.00 0.00 O ATOM 596 CB VAL A 41 3.116 11.565 -6.469 1.00 0.00 C ATOM 597 CG1 VAL A 41 2.745 11.355 -5.000 1.00 0.00 C ATOM 598 CG2 VAL A 41 3.519 13.018 -6.731 1.00 0.00 C ATOM 0 H VAL A 41 5.544 12.072 -6.192 1.00 0.00 H new ATOM 0 HA VAL A 41 3.984 9.633 -6.462 1.00 0.00 H new ATOM 0 HB VAL A 41 2.234 11.348 -7.071 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.954 12.051 -4.722 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.397 10.332 -4.855 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.620 11.532 -4.375 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.713 13.681 -6.418 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.421 13.253 -6.167 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.710 13.156 -7.795 1.00 0.00 H new ATOM 608 N ARG A 42 5.205 11.172 -9.025 1.00 0.00 N ATOM 609 CA ARG A 42 5.389 11.100 -10.465 1.00 0.00 C ATOM 610 C ARG A 42 5.092 9.686 -10.968 1.00 0.00 C ATOM 611 O ARG A 42 3.953 9.372 -11.310 1.00 0.00 O ATOM 612 CB ARG A 42 6.817 11.483 -10.857 1.00 0.00 C ATOM 613 CG ARG A 42 6.932 12.989 -11.106 1.00 0.00 C ATOM 614 CD ARG A 42 7.518 13.703 -9.886 1.00 0.00 C ATOM 615 NE ARG A 42 7.178 15.142 -9.930 1.00 0.00 N ATOM 616 CZ ARG A 42 7.487 16.017 -8.963 1.00 0.00 C ATOM 617 NH1 ARG A 42 8.145 15.604 -7.871 1.00 0.00 N ATOM 618 NH2 ARG A 42 7.138 17.305 -9.088 1.00 0.00 N ATOM 0 H ARG A 42 5.815 11.837 -8.550 1.00 0.00 H new ATOM 0 HA ARG A 42 4.696 11.806 -10.924 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.507 11.188 -10.066 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.110 10.939 -11.755 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.563 13.170 -11.976 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.949 13.400 -11.335 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.128 13.257 -8.971 1.00 0.00 H new ATOM 0 HD3 ARG A 42 8.601 13.577 -9.866 1.00 0.00 H new ATOM 0 HE ARG A 42 6.677 15.490 -10.747 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.411 14.624 -7.776 1.00 0.00 H new ATOM 0 HH12 ARG A 42 8.380 16.270 -7.135 1.00 0.00 H new ATOM 0 HH21 ARG A 42 6.637 17.619 -9.919 1.00 0.00 H new ATOM 0 HH22 ARG A 42 7.373 17.971 -8.352 1.00 0.00 H new ATOM 632 N GLY A 43 6.136 8.870 -10.996 1.00 0.00 N ATOM 633 CA GLY A 43 6.001 7.497 -11.451 1.00 0.00 C ATOM 634 C GLY A 43 5.802 6.545 -10.270 1.00 0.00 C ATOM 635 O GLY A 43 6.636 5.676 -10.021 1.00 0.00 O ATOM 0 H GLY A 43 7.079 9.134 -10.711 1.00 0.00 H new ATOM 0 HA2 GLY A 43 5.155 7.418 -12.133 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.890 7.207 -12.011 1.00 0.00 H new ATOM 639 N ASN A 44 4.691 6.741 -9.574 1.00 0.00 N ATOM 640 CA ASN A 44 4.372 5.910 -8.425 1.00 0.00 C ATOM 641 C ASN A 44 2.929 6.179 -7.993 1.00 0.00 C ATOM 642 O ASN A 44 2.365 7.223 -8.316 1.00 0.00 O ATOM 643 CB ASN A 44 5.288 6.230 -7.243 1.00 0.00 C ATOM 644 CG ASN A 44 6.683 5.638 -7.453 1.00 0.00 C ATOM 645 OD1 ASN A 44 6.848 4.476 -7.786 1.00 0.00 O ATOM 646 ND2 ASN A 44 7.674 6.500 -7.241 1.00 0.00 N ATOM 0 H ASN A 44 4.001 7.463 -9.784 1.00 0.00 H new ATOM 0 HA ASN A 44 4.508 4.868 -8.713 1.00 0.00 H new ATOM 0 HB2 ASN A 44 5.363 7.310 -7.119 1.00 0.00 H new ATOM 0 HB3 ASN A 44 4.855 5.833 -6.325 1.00 0.00 H new ATOM 0 HD21 ASN A 44 8.643 6.202 -7.356 1.00 0.00 H new ATOM 0 HD22 ASN A 44 7.465 7.459 -6.964 1.00 0.00 H new ATOM 653 N GLU A 45 2.374 5.219 -7.268 1.00 0.00 N ATOM 654 CA GLU A 45 1.008 5.339 -6.788 1.00 0.00 C ATOM 655 C GLU A 45 0.959 6.226 -5.542 1.00 0.00 C ATOM 656 O GLU A 45 0.097 7.096 -5.428 1.00 0.00 O ATOM 657 CB GLU A 45 0.403 3.962 -6.504 1.00 0.00 C ATOM 658 CG GLU A 45 -0.416 3.467 -7.698 1.00 0.00 C ATOM 659 CD GLU A 45 -1.835 4.040 -7.665 1.00 0.00 C ATOM 660 OE1 GLU A 45 -1.943 5.284 -7.604 1.00 0.00 O ATOM 661 OE2 GLU A 45 -2.778 3.221 -7.701 1.00 0.00 O ATOM 0 H GLU A 45 2.846 4.355 -7.001 1.00 0.00 H new ATOM 0 HA GLU A 45 0.410 5.809 -7.569 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.198 3.250 -6.283 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.232 4.015 -5.620 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.076 3.757 -8.626 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -0.459 2.378 -7.687 1.00 0.00 H new ATOM 668 N ILE A 46 1.895 5.974 -4.639 1.00 0.00 N ATOM 669 CA ILE A 46 1.970 6.739 -3.406 1.00 0.00 C ATOM 670 C ILE A 46 3.411 7.204 -3.185 1.00 0.00 C ATOM 671 O ILE A 46 4.353 6.448 -3.419 1.00 0.00 O ATOM 672 CB ILE A 46 1.399 5.932 -2.239 1.00 0.00 C ATOM 673 CG1 ILE A 46 -0.020 5.449 -2.548 1.00 0.00 C ATOM 674 CG2 ILE A 46 1.462 6.731 -0.936 1.00 0.00 C ATOM 675 CD1 ILE A 46 -0.413 4.283 -1.639 1.00 0.00 C ATOM 0 H ILE A 46 2.608 5.251 -4.737 1.00 0.00 H new ATOM 0 HA ILE A 46 1.353 7.635 -3.476 1.00 0.00 H new ATOM 0 HB ILE A 46 2.018 5.045 -2.102 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.724 6.271 -2.416 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.083 5.139 -3.591 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.050 6.134 -0.123 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.499 6.982 -0.713 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.882 7.648 -1.043 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.426 3.959 -1.880 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.279 3.454 -1.791 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.372 4.604 -0.598 1.00 0.00 H new ATOM 687 N ALA A 47 3.537 8.444 -2.738 1.00 0.00 N ATOM 688 CA ALA A 47 4.848 9.019 -2.483 1.00 0.00 C ATOM 689 C ALA A 47 4.858 9.660 -1.094 1.00 0.00 C ATOM 690 O ALA A 47 3.890 10.309 -0.699 1.00 0.00 O ATOM 691 CB ALA A 47 5.191 10.018 -3.589 1.00 0.00 C ATOM 0 H ALA A 47 2.753 9.068 -2.545 1.00 0.00 H new ATOM 0 HA ALA A 47 5.615 8.245 -2.494 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.174 10.449 -3.398 1.00 0.00 H new ATOM 0 HB2 ALA A 47 5.200 9.506 -4.551 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.444 10.812 -3.607 1.00 0.00 H new ATOM 697 N ILE A 48 5.962 9.456 -0.391 1.00 0.00 N ATOM 698 CA ILE A 48 6.111 10.006 0.945 1.00 0.00 C ATOM 699 C ILE A 48 7.254 11.023 0.950 1.00 0.00 C ATOM 700 O ILE A 48 8.273 10.819 0.291 1.00 0.00 O ATOM 701 CB ILE A 48 6.282 8.884 1.971 1.00 0.00 C ATOM 702 CG1 ILE A 48 4.999 8.061 2.103 1.00 0.00 C ATOM 703 CG2 ILE A 48 6.748 9.439 3.318 1.00 0.00 C ATOM 704 CD1 ILE A 48 5.316 6.584 2.343 1.00 0.00 C ATOM 0 H ILE A 48 6.762 8.917 -0.722 1.00 0.00 H new ATOM 0 HA ILE A 48 5.208 10.540 1.239 1.00 0.00 H new ATOM 0 HB ILE A 48 7.061 8.211 1.614 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.399 8.446 2.927 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.401 8.166 1.198 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.862 8.621 4.029 1.00 0.00 H new ATOM 0 HG22 ILE A 48 7.705 9.945 3.191 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.010 10.147 3.695 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.386 6.022 2.433 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.895 6.195 1.505 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.893 6.480 3.262 1.00 0.00 H new ATOM 716 N LYS A 49 7.047 12.096 1.699 1.00 0.00 N ATOM 717 CA LYS A 49 8.047 13.144 1.797 1.00 0.00 C ATOM 718 C LYS A 49 8.758 13.040 3.148 1.00 0.00 C ATOM 719 O LYS A 49 8.644 13.934 3.984 1.00 0.00 O ATOM 720 CB LYS A 49 7.416 14.514 1.539 1.00 0.00 C ATOM 721 CG LYS A 49 7.265 14.774 0.039 1.00 0.00 C ATOM 722 CD LYS A 49 8.601 15.182 -0.584 1.00 0.00 C ATOM 723 CE LYS A 49 9.147 14.073 -1.486 1.00 0.00 C ATOM 724 NZ LYS A 49 9.007 14.448 -2.911 1.00 0.00 N ATOM 0 H LYS A 49 6.201 12.262 2.244 1.00 0.00 H new ATOM 0 HA LYS A 49 8.806 13.018 1.025 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.440 14.565 2.021 1.00 0.00 H new ATOM 0 HB3 LYS A 49 8.033 15.293 1.986 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.889 13.877 -0.453 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.528 15.560 -0.125 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.472 16.096 -1.163 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.321 15.403 0.204 1.00 0.00 H new ATOM 0 HE2 LYS A 49 10.196 13.890 -1.253 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.611 13.143 -1.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.717 13.615 -3.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.288 15.193 -3.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.918 14.800 -3.269 1.00 0.00 H new ATOM 738 N ASP A 50 9.477 11.940 3.319 1.00 0.00 N ATOM 739 CA ASP A 50 10.206 11.707 4.554 1.00 0.00 C ATOM 740 C ASP A 50 11.708 11.703 4.261 1.00 0.00 C ATOM 741 O ASP A 50 12.523 11.712 5.182 1.00 0.00 O ATOM 742 CB ASP A 50 9.839 10.352 5.163 1.00 0.00 C ATOM 743 CG ASP A 50 10.855 9.797 6.164 1.00 0.00 C ATOM 744 OD1 ASP A 50 10.804 10.243 7.330 1.00 0.00 O ATOM 745 OD2 ASP A 50 11.658 8.938 5.740 1.00 0.00 O ATOM 0 H ASP A 50 9.570 11.200 2.623 1.00 0.00 H new ATOM 0 HA ASP A 50 9.945 12.500 5.255 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.874 10.444 5.661 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.714 9.630 4.356 1.00 0.00 H new ATOM 750 N ALA A 51 12.028 11.689 2.975 1.00 0.00 N ATOM 751 CA ALA A 51 13.417 11.683 2.550 1.00 0.00 C ATOM 752 C ALA A 51 13.955 10.252 2.599 1.00 0.00 C ATOM 753 O ALA A 51 14.504 9.757 1.615 1.00 0.00 O ATOM 754 CB ALA A 51 14.224 12.640 3.430 1.00 0.00 C ATOM 0 H ALA A 51 11.349 11.682 2.214 1.00 0.00 H new ATOM 0 HA ALA A 51 13.505 12.033 1.521 1.00 0.00 H new ATOM 0 HB1 ALA A 51 15.266 12.636 3.111 1.00 0.00 H new ATOM 0 HB2 ALA A 51 13.820 13.648 3.337 1.00 0.00 H new ATOM 0 HB3 ALA A 51 14.161 12.319 4.470 1.00 0.00 H new ATOM 760 N GLY A 52 13.780 9.627 3.753 1.00 0.00 N ATOM 761 CA GLY A 52 14.241 8.262 3.943 1.00 0.00 C ATOM 762 C GLY A 52 13.733 7.351 2.824 1.00 0.00 C ATOM 763 O GLY A 52 14.290 6.279 2.590 1.00 0.00 O ATOM 0 H GLY A 52 13.325 10.040 4.567 1.00 0.00 H new ATOM 0 HA2 GLY A 52 15.331 8.242 3.966 1.00 0.00 H new ATOM 0 HA3 GLY A 52 13.895 7.888 4.907 1.00 0.00 H new ATOM 767 N ILE A 53 12.681 7.810 2.163 1.00 0.00 N ATOM 768 CA ILE A 53 12.091 7.050 1.074 1.00 0.00 C ATOM 769 C ILE A 53 12.668 7.540 -0.256 1.00 0.00 C ATOM 770 O ILE A 53 12.905 8.734 -0.431 1.00 0.00 O ATOM 771 CB ILE A 53 10.564 7.112 1.142 1.00 0.00 C ATOM 772 CG1 ILE A 53 10.049 6.513 2.453 1.00 0.00 C ATOM 773 CG2 ILE A 53 9.933 6.443 -0.080 1.00 0.00 C ATOM 774 CD1 ILE A 53 8.859 7.311 2.990 1.00 0.00 C ATOM 0 H ILE A 53 12.222 8.699 2.360 1.00 0.00 H new ATOM 0 HA ILE A 53 12.348 5.995 1.164 1.00 0.00 H new ATOM 0 HB ILE A 53 10.264 8.160 1.126 1.00 0.00 H new ATOM 0 HG12 ILE A 53 9.753 5.476 2.292 1.00 0.00 H new ATOM 0 HG13 ILE A 53 10.850 6.505 3.193 1.00 0.00 H new ATOM 0 HG21 ILE A 53 8.847 6.501 -0.006 1.00 0.00 H new ATOM 0 HG22 ILE A 53 10.263 6.953 -0.985 1.00 0.00 H new ATOM 0 HG23 ILE A 53 10.238 5.397 -0.121 1.00 0.00 H new ATOM 0 HD11 ILE A 53 8.512 6.864 3.922 1.00 0.00 H new ATOM 0 HD12 ILE A 53 9.165 8.341 3.173 1.00 0.00 H new ATOM 0 HD13 ILE A 53 8.051 7.297 2.258 1.00 0.00 H new ATOM 786 N SER A 54 12.876 6.594 -1.159 1.00 0.00 N ATOM 787 CA SER A 54 13.420 6.915 -2.468 1.00 0.00 C ATOM 788 C SER A 54 12.327 6.798 -3.532 1.00 0.00 C ATOM 789 O SER A 54 11.356 6.066 -3.351 1.00 0.00 O ATOM 790 CB SER A 54 14.598 6.001 -2.814 1.00 0.00 C ATOM 791 OG SER A 54 15.852 6.643 -2.601 1.00 0.00 O ATOM 0 H SER A 54 12.678 5.605 -1.011 1.00 0.00 H new ATOM 0 HA SER A 54 13.786 7.941 -2.444 1.00 0.00 H new ATOM 0 HB2 SER A 54 14.546 5.097 -2.207 1.00 0.00 H new ATOM 0 HB3 SER A 54 14.522 5.690 -3.856 1.00 0.00 H new ATOM 0 HG SER A 54 16.578 6.027 -2.831 1.00 0.00 H new ATOM 797 N THR A 55 12.523 7.531 -4.618 1.00 0.00 N ATOM 798 CA THR A 55 11.566 7.519 -5.711 1.00 0.00 C ATOM 799 C THR A 55 11.034 6.102 -5.938 1.00 0.00 C ATOM 800 O THR A 55 9.826 5.900 -6.054 1.00 0.00 O ATOM 801 CB THR A 55 12.248 8.116 -6.944 1.00 0.00 C ATOM 802 OG1 THR A 55 13.393 7.291 -7.141 1.00 0.00 O ATOM 803 CG2 THR A 55 12.832 9.504 -6.674 1.00 0.00 C ATOM 0 H THR A 55 13.330 8.137 -4.764 1.00 0.00 H new ATOM 0 HA THR A 55 10.692 8.128 -5.478 1.00 0.00 H new ATOM 0 HB THR A 55 11.531 8.176 -7.763 1.00 0.00 H new ATOM 0 HG1 THR A 55 13.893 7.606 -7.923 1.00 0.00 H new ATOM 0 HG21 THR A 55 13.304 9.883 -7.580 1.00 0.00 H new ATOM 0 HG22 THR A 55 12.034 10.182 -6.370 1.00 0.00 H new ATOM 0 HG23 THR A 55 13.574 9.438 -5.879 1.00 0.00 H new ATOM 811 N LYS A 56 11.961 5.158 -5.996 1.00 0.00 N ATOM 812 CA LYS A 56 11.600 3.766 -6.207 1.00 0.00 C ATOM 813 C LYS A 56 12.043 2.940 -4.998 1.00 0.00 C ATOM 814 O LYS A 56 12.967 2.135 -5.096 1.00 0.00 O ATOM 815 CB LYS A 56 12.166 3.262 -7.536 1.00 0.00 C ATOM 816 CG LYS A 56 11.400 3.858 -8.719 1.00 0.00 C ATOM 817 CD LYS A 56 12.239 4.916 -9.439 1.00 0.00 C ATOM 818 CE LYS A 56 11.351 5.858 -10.255 1.00 0.00 C ATOM 819 NZ LYS A 56 10.848 5.175 -11.468 1.00 0.00 N ATOM 0 H LYS A 56 12.962 5.329 -5.901 1.00 0.00 H new ATOM 0 HA LYS A 56 10.518 3.661 -6.287 1.00 0.00 H new ATOM 0 HB2 LYS A 56 13.221 3.527 -7.610 1.00 0.00 H new ATOM 0 HB3 LYS A 56 12.108 2.174 -7.571 1.00 0.00 H new ATOM 0 HG2 LYS A 56 11.129 3.066 -9.418 1.00 0.00 H new ATOM 0 HG3 LYS A 56 10.470 4.304 -8.367 1.00 0.00 H new ATOM 0 HD2 LYS A 56 12.811 5.490 -8.710 1.00 0.00 H new ATOM 0 HD3 LYS A 56 12.959 4.429 -10.096 1.00 0.00 H new ATOM 0 HE2 LYS A 56 10.512 6.195 -9.646 1.00 0.00 H new ATOM 0 HE3 LYS A 56 11.916 6.746 -10.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 10.247 5.828 -12.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 11.652 4.875 -12.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 10.291 4.341 -11.191 1.00 0.00 H new ATOM 833 N HIS A 57 11.363 3.168 -3.884 1.00 0.00 N ATOM 834 CA HIS A 57 11.674 2.455 -2.657 1.00 0.00 C ATOM 835 C HIS A 57 11.224 0.998 -2.782 1.00 0.00 C ATOM 836 O HIS A 57 12.050 0.087 -2.778 1.00 0.00 O ATOM 837 CB HIS A 57 11.062 3.163 -1.447 1.00 0.00 C ATOM 838 CG HIS A 57 11.422 2.536 -0.121 1.00 0.00 C ATOM 839 ND1 HIS A 57 11.850 3.276 0.967 1.00 0.00 N ATOM 840 CD2 HIS A 57 11.413 1.232 0.280 1.00 0.00 C ATOM 841 CE1 HIS A 57 12.085 2.445 1.972 1.00 0.00 C ATOM 842 NE2 HIS A 57 11.814 1.178 1.543 1.00 0.00 N ATOM 0 H HIS A 57 10.597 3.837 -3.806 1.00 0.00 H new ATOM 0 HA HIS A 57 12.752 2.453 -2.496 1.00 0.00 H new ATOM 0 HB2 HIS A 57 11.387 4.203 -1.445 1.00 0.00 H new ATOM 0 HB3 HIS A 57 9.977 3.168 -1.552 1.00 0.00 H new ATOM 0 HD2 HIS A 57 11.128 0.387 -0.328 1.00 0.00 H new ATOM 0 HE1 HIS A 57 12.430 2.722 2.957 1.00 0.00 H new ATOM 0 HE2 HIS A 57 11.905 0.329 2.102 1.00 0.00 H new ATOM 850 N LEU A 58 9.915 0.824 -2.889 1.00 0.00 N ATOM 851 CA LEU A 58 9.345 -0.507 -3.015 1.00 0.00 C ATOM 852 C LEU A 58 8.043 -0.426 -3.814 1.00 0.00 C ATOM 853 O LEU A 58 7.557 0.666 -4.107 1.00 0.00 O ATOM 854 CB LEU A 58 9.183 -1.153 -1.638 1.00 0.00 C ATOM 855 CG LEU A 58 8.493 -0.297 -0.573 1.00 0.00 C ATOM 856 CD1 LEU A 58 7.173 0.272 -1.098 1.00 0.00 C ATOM 857 CD2 LEU A 58 8.302 -1.085 0.724 1.00 0.00 C ATOM 0 H LEU A 58 9.233 1.582 -2.891 1.00 0.00 H new ATOM 0 HA LEU A 58 10.019 -1.159 -3.570 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.617 -2.077 -1.756 1.00 0.00 H new ATOM 0 HB3 LEU A 58 10.171 -1.430 -1.270 1.00 0.00 H new ATOM 0 HG LEU A 58 9.140 0.550 -0.343 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.703 0.876 -0.322 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.367 0.892 -1.973 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.508 -0.546 -1.373 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.810 -0.454 1.464 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.687 -1.963 0.529 1.00 0.00 H new ATOM 0 HD23 LEU A 58 9.274 -1.400 1.105 1.00 0.00 H new ATOM 869 N ARG A 59 7.514 -1.595 -4.143 1.00 0.00 N ATOM 870 CA ARG A 59 6.278 -1.670 -4.903 1.00 0.00 C ATOM 871 C ARG A 59 5.327 -2.687 -4.269 1.00 0.00 C ATOM 872 O ARG A 59 5.758 -3.744 -3.810 1.00 0.00 O ATOM 873 CB ARG A 59 6.546 -2.069 -6.355 1.00 0.00 C ATOM 874 CG ARG A 59 6.790 -3.575 -6.474 1.00 0.00 C ATOM 875 CD ARG A 59 7.486 -3.916 -7.793 1.00 0.00 C ATOM 876 NE ARG A 59 8.208 -5.201 -7.667 1.00 0.00 N ATOM 877 CZ ARG A 59 8.976 -5.729 -8.630 1.00 0.00 C ATOM 878 NH1 ARG A 59 9.126 -5.085 -9.796 1.00 0.00 N ATOM 879 NH2 ARG A 59 9.594 -6.900 -8.428 1.00 0.00 N ATOM 0 H ARG A 59 7.919 -2.498 -3.897 1.00 0.00 H new ATOM 0 HA ARG A 59 5.820 -0.681 -4.890 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.697 -1.784 -6.977 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.413 -1.526 -6.731 1.00 0.00 H new ATOM 0 HG2 ARG A 59 7.401 -3.915 -5.638 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.841 -4.107 -6.412 1.00 0.00 H new ATOM 0 HD2 ARG A 59 6.751 -3.980 -8.596 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.183 -3.122 -8.061 1.00 0.00 H new ATOM 0 HE ARG A 59 8.115 -5.718 -6.792 1.00 0.00 H new ATOM 0 HH11 ARG A 59 8.656 -4.193 -9.950 1.00 0.00 H new ATOM 0 HH12 ARG A 59 9.711 -5.487 -10.529 1.00 0.00 H new ATOM 0 HH21 ARG A 59 9.480 -7.390 -7.541 1.00 0.00 H new ATOM 0 HH22 ARG A 59 10.178 -7.301 -9.161 1.00 0.00 H new ATOM 893 N ILE A 60 4.050 -2.333 -4.264 1.00 0.00 N ATOM 894 CA ILE A 60 3.034 -3.202 -3.694 1.00 0.00 C ATOM 895 C ILE A 60 2.194 -3.805 -4.821 1.00 0.00 C ATOM 896 O ILE A 60 1.919 -3.140 -5.819 1.00 0.00 O ATOM 897 CB ILE A 60 2.210 -2.449 -2.648 1.00 0.00 C ATOM 898 CG1 ILE A 60 2.916 -2.449 -1.290 1.00 0.00 C ATOM 899 CG2 ILE A 60 0.791 -3.013 -2.557 1.00 0.00 C ATOM 900 CD1 ILE A 60 2.243 -1.474 -0.322 1.00 0.00 C ATOM 0 H ILE A 60 3.696 -1.456 -4.646 1.00 0.00 H new ATOM 0 HA ILE A 60 3.498 -4.033 -3.162 1.00 0.00 H new ATOM 0 HB ILE A 60 2.123 -1.410 -2.965 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.901 -3.454 -0.868 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.963 -2.174 -1.420 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.227 -2.460 -1.806 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.298 -2.917 -3.525 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.835 -4.065 -2.275 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.764 -1.494 0.635 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.281 -0.466 -0.735 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.203 -1.767 -0.175 1.00 0.00 H new ATOM 912 N GLU A 61 1.809 -5.057 -4.625 1.00 0.00 N ATOM 913 CA GLU A 61 1.005 -5.757 -5.612 1.00 0.00 C ATOM 914 C GLU A 61 0.171 -6.850 -4.941 1.00 0.00 C ATOM 915 O GLU A 61 0.371 -7.153 -3.765 1.00 0.00 O ATOM 916 CB GLU A 61 1.884 -6.340 -6.721 1.00 0.00 C ATOM 917 CG GLU A 61 2.870 -7.364 -6.156 1.00 0.00 C ATOM 918 CD GLU A 61 2.360 -8.791 -6.368 1.00 0.00 C ATOM 919 OE1 GLU A 61 1.124 -8.966 -6.311 1.00 0.00 O ATOM 920 OE2 GLU A 61 3.218 -9.675 -6.581 1.00 0.00 O ATOM 0 H GLU A 61 2.039 -5.605 -3.796 1.00 0.00 H new ATOM 0 HA GLU A 61 0.324 -5.040 -6.072 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.257 -6.812 -7.477 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.431 -5.538 -7.216 1.00 0.00 H new ATOM 0 HG2 GLU A 61 3.840 -7.245 -6.639 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.019 -7.182 -5.092 1.00 0.00 H new ATOM 927 N SER A 62 -0.745 -7.411 -5.716 1.00 0.00 N ATOM 928 CA SER A 62 -1.609 -8.464 -5.211 1.00 0.00 C ATOM 929 C SER A 62 -1.566 -9.672 -6.149 1.00 0.00 C ATOM 930 O SER A 62 -1.249 -9.534 -7.330 1.00 0.00 O ATOM 931 CB SER A 62 -3.047 -7.967 -5.051 1.00 0.00 C ATOM 932 OG SER A 62 -3.998 -9.008 -5.255 1.00 0.00 O ATOM 0 H SER A 62 -0.908 -7.156 -6.690 1.00 0.00 H new ATOM 0 HA SER A 62 -1.245 -8.763 -4.228 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.177 -7.548 -4.053 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.233 -7.162 -5.761 1.00 0.00 H new ATOM 0 HG SER A 62 -4.079 -9.542 -4.437 1.00 0.00 H new ATOM 938 N ASP A 63 -1.890 -10.828 -5.589 1.00 0.00 N ATOM 939 CA ASP A 63 -1.893 -12.059 -6.361 1.00 0.00 C ATOM 940 C ASP A 63 -2.712 -13.118 -5.621 1.00 0.00 C ATOM 941 O ASP A 63 -2.898 -13.029 -4.408 1.00 0.00 O ATOM 942 CB ASP A 63 -0.473 -12.599 -6.541 1.00 0.00 C ATOM 943 CG ASP A 63 0.288 -12.030 -7.740 1.00 0.00 C ATOM 944 OD1 ASP A 63 -0.062 -12.422 -8.874 1.00 0.00 O ATOM 945 OD2 ASP A 63 1.204 -11.215 -7.495 1.00 0.00 O ATOM 0 H ASP A 63 -2.152 -10.938 -4.610 1.00 0.00 H new ATOM 0 HA ASP A 63 -2.323 -11.843 -7.339 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.097 -12.390 -5.636 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.523 -13.683 -6.643 1.00 0.00 H new ATOM 950 N SER A 64 -3.179 -14.098 -6.382 1.00 0.00 N ATOM 951 CA SER A 64 -3.973 -15.173 -5.813 1.00 0.00 C ATOM 952 C SER A 64 -4.976 -14.607 -4.805 1.00 0.00 C ATOM 953 O SER A 64 -5.055 -15.078 -3.672 1.00 0.00 O ATOM 954 CB SER A 64 -3.082 -16.221 -5.143 1.00 0.00 C ATOM 955 OG SER A 64 -3.510 -17.549 -5.433 1.00 0.00 O ATOM 0 H SER A 64 -3.022 -14.169 -7.387 1.00 0.00 H new ATOM 0 HA SER A 64 -4.517 -15.661 -6.622 1.00 0.00 H new ATOM 0 HB2 SER A 64 -2.053 -16.090 -5.478 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.088 -16.066 -4.064 1.00 0.00 H new ATOM 0 HG SER A 64 -2.915 -18.189 -4.989 1.00 0.00 H new ATOM 961 N GLY A 65 -5.716 -13.604 -5.255 1.00 0.00 N ATOM 962 CA GLY A 65 -6.710 -12.969 -4.406 1.00 0.00 C ATOM 963 C GLY A 65 -6.112 -12.591 -3.050 1.00 0.00 C ATOM 964 O GLY A 65 -6.740 -12.798 -2.012 1.00 0.00 O ATOM 0 H GLY A 65 -5.647 -13.216 -6.196 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -7.097 -12.077 -4.898 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.553 -13.644 -4.260 1.00 0.00 H new ATOM 968 N ASN A 66 -4.906 -12.045 -3.101 1.00 0.00 N ATOM 969 CA ASN A 66 -4.217 -11.637 -1.889 1.00 0.00 C ATOM 970 C ASN A 66 -3.295 -10.457 -2.205 1.00 0.00 C ATOM 971 O ASN A 66 -3.049 -10.151 -3.370 1.00 0.00 O ATOM 972 CB ASN A 66 -3.356 -12.774 -1.336 1.00 0.00 C ATOM 973 CG ASN A 66 -4.205 -13.765 -0.536 1.00 0.00 C ATOM 974 OD1 ASN A 66 -4.935 -13.404 0.373 1.00 0.00 O ATOM 975 ND2 ASN A 66 -4.069 -15.030 -0.923 1.00 0.00 N ATOM 0 H ASN A 66 -4.388 -11.876 -3.963 1.00 0.00 H new ATOM 0 HA ASN A 66 -4.969 -11.361 -1.150 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -2.862 -13.293 -2.157 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -2.572 -12.365 -0.699 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -4.593 -15.767 -0.451 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -3.440 -15.263 -1.692 1.00 0.00 H new ATOM 982 N TRP A 67 -2.810 -9.827 -1.145 1.00 0.00 N ATOM 983 CA TRP A 67 -1.921 -8.687 -1.294 1.00 0.00 C ATOM 984 C TRP A 67 -0.531 -9.106 -0.811 1.00 0.00 C ATOM 985 O TRP A 67 -0.406 -9.863 0.150 1.00 0.00 O ATOM 986 CB TRP A 67 -2.468 -7.464 -0.555 1.00 0.00 C ATOM 987 CG TRP A 67 -3.711 -6.851 -1.201 1.00 0.00 C ATOM 988 CD1 TRP A 67 -4.997 -7.116 -0.932 1.00 0.00 C ATOM 989 CD2 TRP A 67 -3.735 -5.851 -2.242 1.00 0.00 C ATOM 990 NE1 TRP A 67 -5.844 -6.364 -1.720 1.00 0.00 N ATOM 991 CE2 TRP A 67 -5.052 -5.570 -2.542 1.00 0.00 C ATOM 992 CE3 TRP A 67 -2.678 -5.206 -2.908 1.00 0.00 C ATOM 993 CZ2 TRP A 67 -5.435 -4.638 -3.514 1.00 0.00 C ATOM 994 CZ3 TRP A 67 -3.077 -4.278 -3.877 1.00 0.00 C ATOM 995 CH2 TRP A 67 -4.399 -3.983 -4.191 1.00 0.00 C ATOM 0 H TRP A 67 -3.016 -10.084 -0.180 1.00 0.00 H new ATOM 0 HA TRP A 67 -1.851 -8.387 -2.339 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -2.707 -7.748 0.470 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -1.687 -6.705 -0.502 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -5.329 -7.829 -0.191 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -6.864 -6.386 -1.703 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -1.640 -5.410 -2.689 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -6.474 -4.435 -3.730 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -2.303 -3.754 -4.419 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -4.626 -3.252 -4.953 1.00 0.00 H new ATOM 1006 N VAL A 68 0.479 -8.595 -1.501 1.00 0.00 N ATOM 1007 CA VAL A 68 1.855 -8.906 -1.154 1.00 0.00 C ATOM 1008 C VAL A 68 2.723 -7.664 -1.364 1.00 0.00 C ATOM 1009 O VAL A 68 2.483 -6.883 -2.283 1.00 0.00 O ATOM 1010 CB VAL A 68 2.337 -10.115 -1.959 1.00 0.00 C ATOM 1011 CG1 VAL A 68 1.191 -11.098 -2.211 1.00 0.00 C ATOM 1012 CG2 VAL A 68 2.982 -9.676 -3.275 1.00 0.00 C ATOM 0 H VAL A 68 0.371 -7.968 -2.298 1.00 0.00 H new ATOM 0 HA VAL A 68 1.931 -9.181 -0.102 1.00 0.00 H new ATOM 0 HB VAL A 68 3.096 -10.629 -1.369 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.560 -11.948 -2.785 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.796 -11.448 -1.257 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.400 -10.599 -2.770 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.316 -10.554 -3.827 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.254 -9.127 -3.872 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.837 -9.033 -3.065 1.00 0.00 H new ATOM 1022 N ILE A 69 3.713 -7.520 -0.496 1.00 0.00 N ATOM 1023 CA ILE A 69 4.618 -6.386 -0.575 1.00 0.00 C ATOM 1024 C ILE A 69 6.054 -6.893 -0.719 1.00 0.00 C ATOM 1025 O ILE A 69 6.396 -7.955 -0.200 1.00 0.00 O ATOM 1026 CB ILE A 69 4.413 -5.453 0.621 1.00 0.00 C ATOM 1027 CG1 ILE A 69 5.098 -4.104 0.388 1.00 0.00 C ATOM 1028 CG2 ILE A 69 4.878 -6.115 1.919 1.00 0.00 C ATOM 1029 CD1 ILE A 69 6.379 -3.989 1.217 1.00 0.00 C ATOM 0 H ILE A 69 3.909 -8.170 0.266 1.00 0.00 H new ATOM 0 HA ILE A 69 4.401 -5.787 -1.459 1.00 0.00 H new ATOM 0 HB ILE A 69 3.345 -5.259 0.723 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.334 -3.990 -0.670 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.416 -3.296 0.652 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.721 -5.431 2.753 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.307 -7.028 2.087 1.00 0.00 H new ATOM 0 HG23 ILE A 69 5.938 -6.359 1.844 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.846 -3.021 1.033 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.136 -4.079 2.276 1.00 0.00 H new ATOM 0 HD13 ILE A 69 7.068 -4.784 0.934 1.00 0.00 H new ATOM 1041 N GLN A 70 6.856 -6.112 -1.427 1.00 0.00 N ATOM 1042 CA GLN A 70 8.247 -6.469 -1.646 1.00 0.00 C ATOM 1043 C GLN A 70 9.128 -5.219 -1.609 1.00 0.00 C ATOM 1044 O GLN A 70 8.802 -4.206 -2.227 1.00 0.00 O ATOM 1045 CB GLN A 70 8.418 -7.221 -2.967 1.00 0.00 C ATOM 1046 CG GLN A 70 9.897 -7.487 -3.259 1.00 0.00 C ATOM 1047 CD GLN A 70 10.099 -8.893 -3.828 1.00 0.00 C ATOM 1048 OE1 GLN A 70 10.284 -9.089 -5.018 1.00 0.00 O ATOM 1049 NE2 GLN A 70 10.053 -9.858 -2.913 1.00 0.00 N ATOM 0 H GLN A 70 6.569 -5.233 -1.857 1.00 0.00 H new ATOM 0 HA GLN A 70 8.562 -7.135 -0.843 1.00 0.00 H new ATOM 0 HB2 GLN A 70 7.876 -8.166 -2.924 1.00 0.00 H new ATOM 0 HB3 GLN A 70 7.982 -6.640 -3.780 1.00 0.00 H new ATOM 0 HG2 GLN A 70 10.270 -6.747 -3.967 1.00 0.00 H new ATOM 0 HG3 GLN A 70 10.478 -7.374 -2.344 1.00 0.00 H new ATOM 0 HE21 GLN A 70 9.894 -9.624 -1.933 1.00 0.00 H new ATOM 0 HE22 GLN A 70 10.176 -10.831 -3.192 1.00 0.00 H new ATOM 1058 N ASP A 71 10.228 -5.330 -0.878 1.00 0.00 N ATOM 1059 CA ASP A 71 11.158 -4.221 -0.752 1.00 0.00 C ATOM 1060 C ASP A 71 12.147 -4.256 -1.919 1.00 0.00 C ATOM 1061 O ASP A 71 12.964 -5.171 -2.018 1.00 0.00 O ATOM 1062 CB ASP A 71 11.958 -4.318 0.549 1.00 0.00 C ATOM 1063 CG ASP A 71 13.293 -3.572 0.544 1.00 0.00 C ATOM 1064 OD1 ASP A 71 13.282 -2.390 0.136 1.00 0.00 O ATOM 1065 OD2 ASP A 71 14.296 -4.199 0.948 1.00 0.00 O ATOM 0 H ASP A 71 10.496 -6.171 -0.367 1.00 0.00 H new ATOM 0 HA ASP A 71 10.582 -3.296 -0.753 1.00 0.00 H new ATOM 0 HB2 ASP A 71 11.346 -3.931 1.364 1.00 0.00 H new ATOM 0 HB3 ASP A 71 12.147 -5.370 0.764 1.00 0.00 H new ATOM 1070 N LEU A 72 12.042 -3.249 -2.773 1.00 0.00 N ATOM 1071 CA LEU A 72 12.917 -3.153 -3.929 1.00 0.00 C ATOM 1072 C LEU A 72 14.317 -2.740 -3.470 1.00 0.00 C ATOM 1073 O LEU A 72 14.843 -1.718 -3.910 1.00 0.00 O ATOM 1074 CB LEU A 72 12.315 -2.219 -4.981 1.00 0.00 C ATOM 1075 CG LEU A 72 11.022 -2.700 -5.643 1.00 0.00 C ATOM 1076 CD1 LEU A 72 10.246 -3.636 -4.714 1.00 0.00 C ATOM 1077 CD2 LEU A 72 10.170 -1.517 -6.106 1.00 0.00 C ATOM 0 H LEU A 72 11.364 -2.492 -2.688 1.00 0.00 H new ATOM 0 HA LEU A 72 13.013 -4.124 -4.415 1.00 0.00 H new ATOM 0 HB2 LEU A 72 12.123 -1.253 -4.514 1.00 0.00 H new ATOM 0 HB3 LEU A 72 13.059 -2.054 -5.760 1.00 0.00 H new ATOM 0 HG LEU A 72 11.286 -3.274 -6.531 1.00 0.00 H new ATOM 0 HD11 LEU A 72 9.331 -3.963 -5.208 1.00 0.00 H new ATOM 0 HD12 LEU A 72 10.861 -4.504 -4.476 1.00 0.00 H new ATOM 0 HD13 LEU A 72 9.992 -3.108 -3.795 1.00 0.00 H new ATOM 0 HD21 LEU A 72 9.257 -1.887 -6.573 1.00 0.00 H new ATOM 0 HD22 LEU A 72 9.913 -0.896 -5.248 1.00 0.00 H new ATOM 0 HD23 LEU A 72 10.732 -0.924 -6.828 1.00 0.00 H new ATOM 1089 N GLY A 73 14.882 -3.556 -2.592 1.00 0.00 N ATOM 1090 CA GLY A 73 16.211 -3.289 -2.069 1.00 0.00 C ATOM 1091 C GLY A 73 16.454 -1.785 -1.931 1.00 0.00 C ATOM 1092 O GLY A 73 17.494 -1.279 -2.350 1.00 0.00 O ATOM 0 H GLY A 73 14.443 -4.403 -2.230 1.00 0.00 H new ATOM 0 HA2 GLY A 73 16.327 -3.770 -1.098 1.00 0.00 H new ATOM 0 HA3 GLY A 73 16.960 -3.723 -2.731 1.00 0.00 H new ATOM 1096 N SER A 74 15.477 -1.112 -1.341 1.00 0.00 N ATOM 1097 CA SER A 74 15.571 0.325 -1.143 1.00 0.00 C ATOM 1098 C SER A 74 16.999 0.705 -0.746 1.00 0.00 C ATOM 1099 O SER A 74 17.836 0.971 -1.607 1.00 0.00 O ATOM 1100 CB SER A 74 14.580 0.800 -0.078 1.00 0.00 C ATOM 1101 OG SER A 74 14.787 0.149 1.172 1.00 0.00 O ATOM 0 H SER A 74 14.616 -1.535 -0.994 1.00 0.00 H new ATOM 0 HA SER A 74 15.318 0.818 -2.082 1.00 0.00 H new ATOM 0 HB2 SER A 74 14.678 1.878 0.054 1.00 0.00 H new ATOM 0 HB3 SER A 74 13.562 0.612 -0.420 1.00 0.00 H new ATOM 0 HG SER A 74 13.978 0.227 1.720 1.00 0.00 H new ATOM 1107 N SER A 75 17.233 0.719 0.558 1.00 0.00 N ATOM 1108 CA SER A 75 18.545 1.063 1.079 1.00 0.00 C ATOM 1109 C SER A 75 18.605 0.770 2.579 1.00 0.00 C ATOM 1110 O SER A 75 19.461 0.013 3.033 1.00 0.00 O ATOM 1111 CB SER A 75 18.876 2.533 0.811 1.00 0.00 C ATOM 1112 OG SER A 75 19.550 2.711 -0.431 1.00 0.00 O ATOM 0 H SER A 75 16.536 0.498 1.269 1.00 0.00 H new ATOM 0 HA SER A 75 19.288 0.452 0.566 1.00 0.00 H new ATOM 0 HB2 SER A 75 17.956 3.117 0.811 1.00 0.00 H new ATOM 0 HB3 SER A 75 19.498 2.918 1.619 1.00 0.00 H new ATOM 0 HG SER A 75 19.122 2.158 -1.118 1.00 0.00 H new ATOM 1118 N ASN A 76 17.685 1.386 3.308 1.00 0.00 N ATOM 1119 CA ASN A 76 17.623 1.200 4.747 1.00 0.00 C ATOM 1120 C ASN A 76 16.997 -0.161 5.055 1.00 0.00 C ATOM 1121 O ASN A 76 17.522 -0.920 5.869 1.00 0.00 O ATOM 1122 CB ASN A 76 16.758 2.278 5.405 1.00 0.00 C ATOM 1123 CG ASN A 76 17.370 3.666 5.210 1.00 0.00 C ATOM 1124 OD1 ASN A 76 18.468 3.958 5.656 1.00 0.00 O ATOM 1125 ND2 ASN A 76 16.601 4.504 4.521 1.00 0.00 N ATOM 0 H ASN A 76 16.977 2.014 2.928 1.00 0.00 H new ATOM 0 HA ASN A 76 18.638 1.263 5.139 1.00 0.00 H new ATOM 0 HB2 ASN A 76 15.755 2.255 4.978 1.00 0.00 H new ATOM 0 HB3 ASN A 76 16.656 2.068 6.470 1.00 0.00 H new ATOM 0 HD21 ASN A 76 16.920 5.455 4.338 1.00 0.00 H new ATOM 0 HD22 ASN A 76 15.692 4.195 4.176 1.00 0.00 H new ATOM 1132 N GLY A 77 15.884 -0.430 4.389 1.00 0.00 N ATOM 1133 CA GLY A 77 15.181 -1.687 4.581 1.00 0.00 C ATOM 1134 C GLY A 77 13.760 -1.447 5.096 1.00 0.00 C ATOM 1135 O GLY A 77 13.517 -0.497 5.838 1.00 0.00 O ATOM 0 H GLY A 77 15.451 0.202 3.715 1.00 0.00 H new ATOM 0 HA2 GLY A 77 15.143 -2.234 3.639 1.00 0.00 H new ATOM 0 HA3 GLY A 77 15.728 -2.309 5.289 1.00 0.00 H new ATOM 1139 N THR A 78 12.859 -2.325 4.681 1.00 0.00 N ATOM 1140 CA THR A 78 11.469 -2.221 5.090 1.00 0.00 C ATOM 1141 C THR A 78 11.211 -3.083 6.327 1.00 0.00 C ATOM 1142 O THR A 78 11.870 -4.103 6.526 1.00 0.00 O ATOM 1143 CB THR A 78 10.594 -2.599 3.893 1.00 0.00 C ATOM 1144 OG1 THR A 78 11.197 -1.921 2.794 1.00 0.00 O ATOM 1145 CG2 THR A 78 9.191 -1.994 3.979 1.00 0.00 C ATOM 0 H THR A 78 13.065 -3.112 4.065 1.00 0.00 H new ATOM 0 HA THR A 78 11.219 -1.202 5.385 1.00 0.00 H new ATOM 0 HB THR A 78 10.518 -3.684 3.828 1.00 0.00 H new ATOM 0 HG1 THR A 78 10.695 -1.102 2.600 1.00 0.00 H new ATOM 0 HG21 THR A 78 8.612 -2.293 3.106 1.00 0.00 H new ATOM 0 HG22 THR A 78 8.696 -2.350 4.882 1.00 0.00 H new ATOM 0 HG23 THR A 78 9.265 -0.907 4.011 1.00 0.00 H new ATOM 1153 N LEU A 79 10.251 -2.643 7.127 1.00 0.00 N ATOM 1154 CA LEU A 79 9.898 -3.362 8.339 1.00 0.00 C ATOM 1155 C LEU A 79 8.401 -3.678 8.322 1.00 0.00 C ATOM 1156 O LEU A 79 7.593 -2.855 7.894 1.00 0.00 O ATOM 1157 CB LEU A 79 10.347 -2.580 9.575 1.00 0.00 C ATOM 1158 CG LEU A 79 11.842 -2.632 9.895 1.00 0.00 C ATOM 1159 CD1 LEU A 79 12.218 -1.571 10.931 1.00 0.00 C ATOM 1160 CD2 LEU A 79 12.259 -4.037 10.336 1.00 0.00 C ATOM 0 H LEU A 79 9.706 -1.797 6.959 1.00 0.00 H new ATOM 0 HA LEU A 79 10.425 -4.315 8.384 1.00 0.00 H new ATOM 0 HB2 LEU A 79 10.060 -1.537 9.445 1.00 0.00 H new ATOM 0 HB3 LEU A 79 9.798 -2.956 10.438 1.00 0.00 H new ATOM 0 HG LEU A 79 12.395 -2.403 8.984 1.00 0.00 H new ATOM 0 HD11 LEU A 79 13.286 -1.630 11.141 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.978 -0.581 10.542 1.00 0.00 H new ATOM 0 HD13 LEU A 79 11.658 -1.745 11.850 1.00 0.00 H new ATOM 0 HD21 LEU A 79 13.326 -4.047 10.558 1.00 0.00 H new ATOM 0 HD22 LEU A 79 11.700 -4.319 11.229 1.00 0.00 H new ATOM 0 HD23 LEU A 79 12.048 -4.747 9.536 1.00 0.00 H new ATOM 1172 N LEU A 80 8.076 -4.873 8.792 1.00 0.00 N ATOM 1173 CA LEU A 80 6.690 -5.308 8.836 1.00 0.00 C ATOM 1174 C LEU A 80 6.337 -5.728 10.265 1.00 0.00 C ATOM 1175 O LEU A 80 6.725 -6.805 10.713 1.00 0.00 O ATOM 1176 CB LEU A 80 6.438 -6.400 7.795 1.00 0.00 C ATOM 1177 CG LEU A 80 4.972 -6.749 7.529 1.00 0.00 C ATOM 1178 CD1 LEU A 80 4.174 -5.502 7.142 1.00 0.00 C ATOM 1179 CD2 LEU A 80 4.853 -7.855 6.479 1.00 0.00 C ATOM 0 H LEU A 80 8.748 -5.554 9.146 1.00 0.00 H new ATOM 0 HA LEU A 80 6.024 -4.487 8.571 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.893 -6.089 6.855 1.00 0.00 H new ATOM 0 HB3 LEU A 80 6.954 -7.305 8.115 1.00 0.00 H new ATOM 0 HG LEU A 80 4.539 -7.135 8.452 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.135 -5.777 6.958 1.00 0.00 H new ATOM 0 HD12 LEU A 80 4.219 -4.775 7.953 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.599 -5.064 6.239 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.801 -8.084 6.309 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.307 -7.521 5.546 1.00 0.00 H new ATOM 0 HD23 LEU A 80 5.366 -8.749 6.833 1.00 0.00 H new ATOM 1191 N ASN A 81 5.604 -4.854 10.940 1.00 0.00 N ATOM 1192 CA ASN A 81 5.194 -5.121 12.308 1.00 0.00 C ATOM 1193 C ASN A 81 6.428 -5.127 13.213 1.00 0.00 C ATOM 1194 O ASN A 81 6.603 -4.231 14.037 1.00 0.00 O ATOM 1195 CB ASN A 81 4.515 -6.487 12.424 1.00 0.00 C ATOM 1196 CG ASN A 81 3.347 -6.603 11.443 1.00 0.00 C ATOM 1197 OD1 ASN A 81 2.346 -5.914 11.545 1.00 0.00 O ATOM 1198 ND2 ASN A 81 3.530 -7.512 10.489 1.00 0.00 N ATOM 0 H ASN A 81 5.284 -3.961 10.565 1.00 0.00 H new ATOM 0 HA ASN A 81 4.491 -4.344 12.607 1.00 0.00 H new ATOM 0 HB2 ASN A 81 5.241 -7.276 12.226 1.00 0.00 H new ATOM 0 HB3 ASN A 81 4.155 -6.633 13.442 1.00 0.00 H new ATOM 0 HD21 ASN A 81 2.808 -7.665 9.785 1.00 0.00 H new ATOM 0 HD22 ASN A 81 4.393 -8.055 10.461 1.00 0.00 H new ATOM 1205 N SER A 82 7.251 -6.149 13.030 1.00 0.00 N ATOM 1206 CA SER A 82 8.463 -6.285 13.820 1.00 0.00 C ATOM 1207 C SER A 82 9.422 -7.266 13.143 1.00 0.00 C ATOM 1208 O SER A 82 9.802 -8.276 13.734 1.00 0.00 O ATOM 1209 CB SER A 82 8.144 -6.750 15.242 1.00 0.00 C ATOM 1210 OG SER A 82 8.052 -5.658 16.153 1.00 0.00 O ATOM 0 H SER A 82 7.102 -6.891 12.346 1.00 0.00 H new ATOM 0 HA SER A 82 8.940 -5.307 13.885 1.00 0.00 H new ATOM 0 HB2 SER A 82 7.204 -7.301 15.241 1.00 0.00 H new ATOM 0 HB3 SER A 82 8.917 -7.440 15.580 1.00 0.00 H new ATOM 0 HG SER A 82 7.558 -4.923 15.733 1.00 0.00 H new ATOM 1216 N ASN A 83 9.786 -6.935 11.913 1.00 0.00 N ATOM 1217 CA ASN A 83 10.693 -7.775 11.149 1.00 0.00 C ATOM 1218 C ASN A 83 11.048 -7.073 9.837 1.00 0.00 C ATOM 1219 O ASN A 83 10.168 -6.563 9.144 1.00 0.00 O ATOM 1220 CB ASN A 83 10.044 -9.117 10.807 1.00 0.00 C ATOM 1221 CG ASN A 83 11.099 -10.218 10.674 1.00 0.00 C ATOM 1222 OD1 ASN A 83 11.638 -10.718 11.648 1.00 0.00 O ATOM 1223 ND2 ASN A 83 11.362 -10.566 9.418 1.00 0.00 N ATOM 0 H ASN A 83 9.469 -6.096 11.426 1.00 0.00 H new ATOM 0 HA ASN A 83 11.583 -7.949 11.754 1.00 0.00 H new ATOM 0 HB2 ASN A 83 9.327 -9.387 11.583 1.00 0.00 H new ATOM 0 HB3 ASN A 83 9.486 -9.028 9.875 1.00 0.00 H new ATOM 0 HD21 ASN A 83 12.051 -11.292 9.224 1.00 0.00 H new ATOM 0 HD22 ASN A 83 10.874 -10.107 8.649 1.00 0.00 H new ATOM 1230 N ALA A 84 12.337 -7.070 9.534 1.00 0.00 N ATOM 1231 CA ALA A 84 12.819 -6.439 8.317 1.00 0.00 C ATOM 1232 C ALA A 84 12.504 -7.340 7.121 1.00 0.00 C ATOM 1233 O ALA A 84 12.950 -8.485 7.068 1.00 0.00 O ATOM 1234 CB ALA A 84 14.316 -6.149 8.450 1.00 0.00 C ATOM 0 H ALA A 84 13.063 -7.495 10.110 1.00 0.00 H new ATOM 0 HA ALA A 84 12.315 -5.486 8.154 1.00 0.00 H new ATOM 0 HB1 ALA A 84 14.677 -5.676 7.537 1.00 0.00 H new ATOM 0 HB2 ALA A 84 14.484 -5.482 9.296 1.00 0.00 H new ATOM 0 HB3 ALA A 84 14.854 -7.083 8.612 1.00 0.00 H new ATOM 1240 N LEU A 85 11.737 -6.789 6.192 1.00 0.00 N ATOM 1241 CA LEU A 85 11.357 -7.529 5.000 1.00 0.00 C ATOM 1242 C LEU A 85 12.606 -7.820 4.166 1.00 0.00 C ATOM 1243 O LEU A 85 13.695 -7.346 4.485 1.00 0.00 O ATOM 1244 CB LEU A 85 10.264 -6.783 4.232 1.00 0.00 C ATOM 1245 CG LEU A 85 8.951 -6.556 4.984 1.00 0.00 C ATOM 1246 CD1 LEU A 85 8.074 -5.532 4.261 1.00 0.00 C ATOM 1247 CD2 LEU A 85 8.217 -7.878 5.215 1.00 0.00 C ATOM 0 H LEU A 85 11.368 -5.839 6.240 1.00 0.00 H new ATOM 0 HA LEU A 85 10.923 -8.492 5.271 1.00 0.00 H new ATOM 0 HB2 LEU A 85 10.658 -5.813 3.929 1.00 0.00 H new ATOM 0 HB3 LEU A 85 10.046 -7.338 3.319 1.00 0.00 H new ATOM 0 HG LEU A 85 9.186 -6.142 5.965 1.00 0.00 H new ATOM 0 HD11 LEU A 85 7.147 -5.390 4.817 1.00 0.00 H new ATOM 0 HD12 LEU A 85 8.605 -4.583 4.192 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.844 -5.893 3.259 1.00 0.00 H new ATOM 0 HD21 LEU A 85 7.287 -7.689 5.751 1.00 0.00 H new ATOM 0 HD22 LEU A 85 7.994 -8.343 4.255 1.00 0.00 H new ATOM 0 HD23 LEU A 85 8.846 -8.545 5.804 1.00 0.00 H new ATOM 1259 N ASP A 86 12.406 -8.598 3.112 1.00 0.00 N ATOM 1260 CA ASP A 86 13.503 -8.958 2.229 1.00 0.00 C ATOM 1261 C ASP A 86 13.134 -8.592 0.790 1.00 0.00 C ATOM 1262 O ASP A 86 11.959 -8.593 0.427 1.00 0.00 O ATOM 1263 CB ASP A 86 13.779 -10.462 2.279 1.00 0.00 C ATOM 1264 CG ASP A 86 15.191 -10.845 2.729 1.00 0.00 C ATOM 1265 OD1 ASP A 86 15.471 -10.664 3.933 1.00 0.00 O ATOM 1266 OD2 ASP A 86 15.957 -11.311 1.858 1.00 0.00 O ATOM 0 H ASP A 86 11.501 -8.989 2.850 1.00 0.00 H new ATOM 0 HA ASP A 86 14.391 -8.418 2.556 1.00 0.00 H new ATOM 0 HB2 ASP A 86 13.060 -10.926 2.954 1.00 0.00 H new ATOM 0 HB3 ASP A 86 13.603 -10.882 1.289 1.00 0.00 H new ATOM 1271 N PRO A 87 14.187 -8.280 -0.012 1.00 0.00 N ATOM 1272 CA PRO A 87 13.986 -7.914 -1.403 1.00 0.00 C ATOM 1273 C PRO A 87 13.659 -9.144 -2.253 1.00 0.00 C ATOM 1274 O PRO A 87 12.576 -9.235 -2.828 1.00 0.00 O ATOM 1275 CB PRO A 87 15.277 -7.230 -1.821 1.00 0.00 C ATOM 1276 CG PRO A 87 16.321 -7.649 -0.798 1.00 0.00 C ATOM 1277 CD PRO A 87 15.593 -8.269 0.384 1.00 0.00 C ATOM 0 HA PRO A 87 13.135 -7.248 -1.543 1.00 0.00 H new ATOM 0 HB2 PRO A 87 15.572 -7.532 -2.826 1.00 0.00 H new ATOM 0 HB3 PRO A 87 15.158 -6.147 -1.836 1.00 0.00 H new ATOM 0 HG2 PRO A 87 17.018 -8.364 -1.235 1.00 0.00 H new ATOM 0 HG3 PRO A 87 16.907 -6.788 -0.476 1.00 0.00 H new ATOM 0 HD2 PRO A 87 15.955 -9.277 0.588 1.00 0.00 H new ATOM 0 HD3 PRO A 87 15.744 -7.686 1.292 1.00 0.00 H new ATOM 1285 N GLU A 88 14.616 -10.059 -2.304 1.00 0.00 N ATOM 1286 CA GLU A 88 14.443 -11.279 -3.073 1.00 0.00 C ATOM 1287 C GLU A 88 13.224 -12.055 -2.572 1.00 0.00 C ATOM 1288 O GLU A 88 12.591 -12.784 -3.334 1.00 0.00 O ATOM 1289 CB GLU A 88 15.704 -12.144 -3.019 1.00 0.00 C ATOM 1290 CG GLU A 88 16.897 -11.414 -3.639 1.00 0.00 C ATOM 1291 CD GLU A 88 17.936 -12.408 -4.162 1.00 0.00 C ATOM 1292 OE1 GLU A 88 18.488 -13.149 -3.320 1.00 0.00 O ATOM 1293 OE2 GLU A 88 18.156 -12.404 -5.393 1.00 0.00 O ATOM 0 H GLU A 88 15.513 -9.980 -1.825 1.00 0.00 H new ATOM 0 HA GLU A 88 14.272 -11.007 -4.115 1.00 0.00 H new ATOM 0 HB2 GLU A 88 15.929 -12.401 -1.984 1.00 0.00 H new ATOM 0 HB3 GLU A 88 15.530 -13.080 -3.550 1.00 0.00 H new ATOM 0 HG2 GLU A 88 16.554 -10.777 -4.455 1.00 0.00 H new ATOM 0 HG3 GLU A 88 17.355 -10.761 -2.896 1.00 0.00 H new ATOM 1300 N THR A 89 12.931 -11.872 -1.292 1.00 0.00 N ATOM 1301 CA THR A 89 11.799 -12.546 -0.680 1.00 0.00 C ATOM 1302 C THR A 89 10.576 -11.626 -0.664 1.00 0.00 C ATOM 1303 O THR A 89 10.713 -10.408 -0.569 1.00 0.00 O ATOM 1304 CB THR A 89 12.225 -13.016 0.712 1.00 0.00 C ATOM 1305 OG1 THR A 89 13.564 -13.467 0.532 1.00 0.00 O ATOM 1306 CG2 THR A 89 11.468 -14.266 1.165 1.00 0.00 C ATOM 0 H THR A 89 13.458 -11.267 -0.663 1.00 0.00 H new ATOM 0 HA THR A 89 11.500 -13.421 -1.257 1.00 0.00 H new ATOM 0 HB THR A 89 12.063 -12.213 1.431 1.00 0.00 H new ATOM 0 HG1 THR A 89 13.919 -13.788 1.387 1.00 0.00 H new ATOM 0 HG21 THR A 89 11.808 -14.557 2.159 1.00 0.00 H new ATOM 0 HG22 THR A 89 10.399 -14.053 1.195 1.00 0.00 H new ATOM 0 HG23 THR A 89 11.656 -15.079 0.464 1.00 0.00 H new ATOM 1314 N SER A 90 9.409 -12.245 -0.757 1.00 0.00 N ATOM 1315 CA SER A 90 8.163 -11.498 -0.754 1.00 0.00 C ATOM 1316 C SER A 90 7.239 -12.024 0.346 1.00 0.00 C ATOM 1317 O SER A 90 7.184 -13.228 0.593 1.00 0.00 O ATOM 1318 CB SER A 90 7.468 -11.580 -2.115 1.00 0.00 C ATOM 1319 OG SER A 90 7.243 -12.928 -2.519 1.00 0.00 O ATOM 0 H SER A 90 9.300 -13.256 -0.835 1.00 0.00 H new ATOM 0 HA SER A 90 8.393 -10.451 -0.556 1.00 0.00 H new ATOM 0 HB2 SER A 90 6.516 -11.052 -2.068 1.00 0.00 H new ATOM 0 HB3 SER A 90 8.077 -11.074 -2.864 1.00 0.00 H new ATOM 0 HG SER A 90 6.796 -12.938 -3.391 1.00 0.00 H new ATOM 1325 N VAL A 91 6.536 -11.096 0.979 1.00 0.00 N ATOM 1326 CA VAL A 91 5.618 -11.451 2.047 1.00 0.00 C ATOM 1327 C VAL A 91 4.203 -11.015 1.663 1.00 0.00 C ATOM 1328 O VAL A 91 4.027 -10.117 0.842 1.00 0.00 O ATOM 1329 CB VAL A 91 6.093 -10.844 3.369 1.00 0.00 C ATOM 1330 CG1 VAL A 91 5.151 -11.221 4.515 1.00 0.00 C ATOM 1331 CG2 VAL A 91 7.531 -11.264 3.680 1.00 0.00 C ATOM 0 H VAL A 91 6.584 -10.098 0.772 1.00 0.00 H new ATOM 0 HA VAL A 91 5.598 -12.531 2.190 1.00 0.00 H new ATOM 0 HB VAL A 91 6.076 -9.759 3.265 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.511 -10.777 5.443 1.00 0.00 H new ATOM 0 HG12 VAL A 91 4.149 -10.849 4.300 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.121 -12.306 4.619 1.00 0.00 H new ATOM 0 HG21 VAL A 91 7.844 -10.819 4.625 1.00 0.00 H new ATOM 0 HG22 VAL A 91 7.585 -12.350 3.755 1.00 0.00 H new ATOM 0 HG23 VAL A 91 8.190 -10.923 2.882 1.00 0.00 H new ATOM 1341 N ASN A 92 3.229 -11.672 2.276 1.00 0.00 N ATOM 1342 CA ASN A 92 1.834 -11.363 2.009 1.00 0.00 C ATOM 1343 C ASN A 92 1.329 -10.363 3.051 1.00 0.00 C ATOM 1344 O ASN A 92 1.418 -10.615 4.252 1.00 0.00 O ATOM 1345 CB ASN A 92 0.965 -12.619 2.099 1.00 0.00 C ATOM 1346 CG ASN A 92 0.938 -13.166 3.527 1.00 0.00 C ATOM 1347 OD1 ASN A 92 0.049 -12.878 4.313 1.00 0.00 O ATOM 1348 ND2 ASN A 92 1.957 -13.969 3.819 1.00 0.00 N ATOM 0 H ASN A 92 3.378 -12.417 2.957 1.00 0.00 H new ATOM 0 HA ASN A 92 1.767 -10.949 1.003 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -0.050 -12.387 1.775 1.00 0.00 H new ATOM 0 HB3 ASN A 92 1.350 -13.381 1.421 1.00 0.00 H new ATOM 0 HD21 ASN A 92 2.028 -14.385 4.747 1.00 0.00 H new ATOM 0 HD22 ASN A 92 2.667 -14.169 3.115 1.00 0.00 H new ATOM 1355 N LEU A 93 0.810 -9.250 2.554 1.00 0.00 N ATOM 1356 CA LEU A 93 0.290 -8.212 3.427 1.00 0.00 C ATOM 1357 C LEU A 93 -0.885 -8.769 4.232 1.00 0.00 C ATOM 1358 O LEU A 93 -1.525 -9.734 3.816 1.00 0.00 O ATOM 1359 CB LEU A 93 -0.056 -6.958 2.621 1.00 0.00 C ATOM 1360 CG LEU A 93 1.132 -6.157 2.084 1.00 0.00 C ATOM 1361 CD1 LEU A 93 0.667 -5.073 1.109 1.00 0.00 C ATOM 1362 CD2 LEU A 93 1.966 -5.579 3.229 1.00 0.00 C ATOM 0 H LEU A 93 0.739 -9.044 1.557 1.00 0.00 H new ATOM 0 HA LEU A 93 1.050 -7.902 4.145 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -0.681 -7.253 1.778 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.658 -6.301 3.249 1.00 0.00 H new ATOM 0 HG LEU A 93 1.777 -6.836 1.526 1.00 0.00 H new ATOM 0 HD11 LEU A 93 1.531 -4.519 0.742 1.00 0.00 H new ATOM 0 HD12 LEU A 93 0.150 -5.537 0.269 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -0.012 -4.390 1.620 1.00 0.00 H new ATOM 0 HD21 LEU A 93 2.804 -5.014 2.820 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.345 -4.919 3.834 1.00 0.00 H new ATOM 0 HD23 LEU A 93 2.344 -6.391 3.850 1.00 0.00 H new ATOM 1374 N GLY A 94 -1.135 -8.137 5.369 1.00 0.00 N ATOM 1375 CA GLY A 94 -2.222 -8.557 6.236 1.00 0.00 C ATOM 1376 C GLY A 94 -2.927 -7.350 6.858 1.00 0.00 C ATOM 1377 O GLY A 94 -2.312 -6.302 7.055 1.00 0.00 O ATOM 0 H GLY A 94 -0.603 -7.336 5.710 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -2.939 -9.147 5.666 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -1.834 -9.202 7.025 1.00 0.00 H new ATOM 1381 N ASP A 95 -4.206 -7.536 7.148 1.00 0.00 N ATOM 1382 CA ASP A 95 -5.000 -6.475 7.743 1.00 0.00 C ATOM 1383 C ASP A 95 -4.468 -6.169 9.145 1.00 0.00 C ATOM 1384 O ASP A 95 -4.603 -6.985 10.055 1.00 0.00 O ATOM 1385 CB ASP A 95 -6.466 -6.892 7.875 1.00 0.00 C ATOM 1386 CG ASP A 95 -7.252 -6.157 8.963 1.00 0.00 C ATOM 1387 OD1 ASP A 95 -6.969 -6.428 10.149 1.00 0.00 O ATOM 1388 OD2 ASP A 95 -8.119 -5.340 8.582 1.00 0.00 O ATOM 0 H ASP A 95 -4.712 -8.406 6.982 1.00 0.00 H new ATOM 0 HA ASP A 95 -4.930 -5.600 7.097 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -6.962 -6.730 6.918 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -6.507 -7.962 8.078 1.00 0.00 H new ATOM 1393 N GLY A 96 -3.874 -4.992 9.274 1.00 0.00 N ATOM 1394 CA GLY A 96 -3.320 -4.569 10.550 1.00 0.00 C ATOM 1395 C GLY A 96 -1.793 -4.666 10.544 1.00 0.00 C ATOM 1396 O GLY A 96 -1.158 -4.580 11.594 1.00 0.00 O ATOM 0 H GLY A 96 -3.764 -4.318 8.517 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -3.622 -3.543 10.759 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.724 -5.190 11.350 1.00 0.00 H new ATOM 1400 N ASP A 97 -1.248 -4.843 9.349 1.00 0.00 N ATOM 1401 CA ASP A 97 0.192 -4.952 9.193 1.00 0.00 C ATOM 1402 C ASP A 97 0.798 -3.550 9.097 1.00 0.00 C ATOM 1403 O ASP A 97 0.433 -2.771 8.218 1.00 0.00 O ATOM 1404 CB ASP A 97 0.552 -5.710 7.914 1.00 0.00 C ATOM 1405 CG ASP A 97 0.224 -7.205 7.935 1.00 0.00 C ATOM 1406 OD1 ASP A 97 -0.555 -7.603 8.828 1.00 0.00 O ATOM 1407 OD2 ASP A 97 0.758 -7.915 7.056 1.00 0.00 O ATOM 0 H ASP A 97 -1.778 -4.914 8.480 1.00 0.00 H new ATOM 0 HA ASP A 97 0.584 -5.492 10.055 1.00 0.00 H new ATOM 0 HB2 ASP A 97 0.027 -5.250 7.077 1.00 0.00 H new ATOM 0 HB3 ASP A 97 1.619 -5.590 7.726 1.00 0.00 H new ATOM 1412 N VAL A 98 1.714 -3.272 10.014 1.00 0.00 N ATOM 1413 CA VAL A 98 2.373 -1.978 10.044 1.00 0.00 C ATOM 1414 C VAL A 98 3.655 -2.044 9.211 1.00 0.00 C ATOM 1415 O VAL A 98 4.515 -2.889 9.455 1.00 0.00 O ATOM 1416 CB VAL A 98 2.623 -1.551 11.492 1.00 0.00 C ATOM 1417 CG1 VAL A 98 3.754 -0.524 11.573 1.00 0.00 C ATOM 1418 CG2 VAL A 98 1.343 -1.009 12.132 1.00 0.00 C ATOM 0 H VAL A 98 2.015 -3.921 10.741 1.00 0.00 H new ATOM 0 HA VAL A 98 1.735 -1.214 9.599 1.00 0.00 H new ATOM 0 HB VAL A 98 2.931 -2.433 12.053 1.00 0.00 H new ATOM 0 HG11 VAL A 98 3.911 -0.237 12.613 1.00 0.00 H new ATOM 0 HG12 VAL A 98 4.670 -0.959 11.174 1.00 0.00 H new ATOM 0 HG13 VAL A 98 3.487 0.358 10.990 1.00 0.00 H new ATOM 0 HG21 VAL A 98 1.548 -0.713 13.161 1.00 0.00 H new ATOM 0 HG22 VAL A 98 0.992 -0.145 11.568 1.00 0.00 H new ATOM 0 HG23 VAL A 98 0.576 -1.783 12.123 1.00 0.00 H new ATOM 1428 N ILE A 99 3.742 -1.142 8.244 1.00 0.00 N ATOM 1429 CA ILE A 99 4.904 -1.088 7.374 1.00 0.00 C ATOM 1430 C ILE A 99 5.752 0.133 7.738 1.00 0.00 C ATOM 1431 O ILE A 99 5.347 1.269 7.500 1.00 0.00 O ATOM 1432 CB ILE A 99 4.476 -1.122 5.905 1.00 0.00 C ATOM 1433 CG1 ILE A 99 3.449 -2.229 5.660 1.00 0.00 C ATOM 1434 CG2 ILE A 99 5.690 -1.252 4.983 1.00 0.00 C ATOM 1435 CD1 ILE A 99 3.002 -2.248 4.197 1.00 0.00 C ATOM 0 H ILE A 99 3.027 -0.443 8.044 1.00 0.00 H new ATOM 0 HA ILE A 99 5.530 -1.968 7.521 1.00 0.00 H new ATOM 0 HB ILE A 99 3.992 -0.175 5.668 1.00 0.00 H new ATOM 0 HG12 ILE A 99 3.880 -3.195 5.925 1.00 0.00 H new ATOM 0 HG13 ILE A 99 2.584 -2.077 6.306 1.00 0.00 H new ATOM 0 HG21 ILE A 99 5.358 -1.274 3.945 1.00 0.00 H new ATOM 0 HG22 ILE A 99 6.354 -0.401 5.134 1.00 0.00 H new ATOM 0 HG23 ILE A 99 6.224 -2.174 5.213 1.00 0.00 H new ATOM 0 HD11 ILE A 99 2.272 -3.044 4.050 1.00 0.00 H new ATOM 0 HD12 ILE A 99 2.550 -1.289 3.942 1.00 0.00 H new ATOM 0 HD13 ILE A 99 3.865 -2.424 3.555 1.00 0.00 H new ATOM 1447 N LYS A 100 6.915 -0.144 8.311 1.00 0.00 N ATOM 1448 CA LYS A 100 7.824 0.917 8.711 1.00 0.00 C ATOM 1449 C LYS A 100 8.918 1.070 7.653 1.00 0.00 C ATOM 1450 O LYS A 100 9.822 0.241 7.565 1.00 0.00 O ATOM 1451 CB LYS A 100 8.362 0.658 10.119 1.00 0.00 C ATOM 1452 CG LYS A 100 7.456 1.292 11.177 1.00 0.00 C ATOM 1453 CD LYS A 100 7.418 0.441 12.448 1.00 0.00 C ATOM 1454 CE LYS A 100 8.228 1.095 13.570 1.00 0.00 C ATOM 1455 NZ LYS A 100 7.997 0.393 14.852 1.00 0.00 N ATOM 0 H LYS A 100 7.248 -1.088 8.508 1.00 0.00 H new ATOM 0 HA LYS A 100 7.298 1.870 8.766 1.00 0.00 H new ATOM 0 HB2 LYS A 100 8.434 -0.416 10.293 1.00 0.00 H new ATOM 0 HB3 LYS A 100 9.370 1.064 10.208 1.00 0.00 H new ATOM 0 HG2 LYS A 100 7.815 2.293 11.416 1.00 0.00 H new ATOM 0 HG3 LYS A 100 6.447 1.402 10.779 1.00 0.00 H new ATOM 0 HD2 LYS A 100 6.385 0.308 12.770 1.00 0.00 H new ATOM 0 HD3 LYS A 100 7.817 -0.551 12.238 1.00 0.00 H new ATOM 0 HE2 LYS A 100 9.289 1.072 13.322 1.00 0.00 H new ATOM 0 HE3 LYS A 100 7.946 2.143 13.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 8.554 0.849 15.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 6.987 0.437 15.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 8.288 -0.601 14.761 1.00 0.00 H new ATOM 1469 N LEU A 101 8.801 2.138 6.877 1.00 0.00 N ATOM 1470 CA LEU A 101 9.769 2.411 5.828 1.00 0.00 C ATOM 1471 C LEU A 101 10.334 3.820 6.016 1.00 0.00 C ATOM 1472 O LEU A 101 9.792 4.612 6.785 1.00 0.00 O ATOM 1473 CB LEU A 101 9.148 2.175 4.450 1.00 0.00 C ATOM 1474 CG LEU A 101 8.109 3.204 3.999 1.00 0.00 C ATOM 1475 CD1 LEU A 101 8.217 3.469 2.496 1.00 0.00 C ATOM 1476 CD2 LEU A 101 6.698 2.772 4.404 1.00 0.00 C ATOM 0 H LEU A 101 8.050 2.824 6.954 1.00 0.00 H new ATOM 0 HA LEU A 101 10.609 1.719 5.895 1.00 0.00 H new ATOM 0 HB2 LEU A 101 9.949 2.149 3.712 1.00 0.00 H new ATOM 0 HB3 LEU A 101 8.680 1.190 4.448 1.00 0.00 H new ATOM 0 HG LEU A 101 8.317 4.145 4.508 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.468 4.204 2.201 1.00 0.00 H new ATOM 0 HD12 LEU A 101 9.211 3.852 2.265 1.00 0.00 H new ATOM 0 HD13 LEU A 101 8.049 2.541 1.950 1.00 0.00 H new ATOM 0 HD21 LEU A 101 5.979 3.521 4.072 1.00 0.00 H new ATOM 0 HD22 LEU A 101 6.464 1.813 3.941 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.645 2.674 5.488 1.00 0.00 H new ATOM 1488 N GLY A 102 11.415 4.091 5.299 1.00 0.00 N ATOM 1489 CA GLY A 102 12.058 5.391 5.377 1.00 0.00 C ATOM 1490 C GLY A 102 12.626 5.639 6.776 1.00 0.00 C ATOM 1491 O GLY A 102 13.228 4.748 7.373 1.00 0.00 O ATOM 0 H GLY A 102 11.862 3.432 4.661 1.00 0.00 H new ATOM 0 HA2 GLY A 102 12.859 5.449 4.640 1.00 0.00 H new ATOM 0 HA3 GLY A 102 11.339 6.172 5.129 1.00 0.00 H new ATOM 1495 N GLU A 103 12.414 6.855 7.259 1.00 0.00 N ATOM 1496 CA GLU A 103 12.897 7.231 8.576 1.00 0.00 C ATOM 1497 C GLU A 103 11.820 6.967 9.631 1.00 0.00 C ATOM 1498 O GLU A 103 11.905 5.995 10.380 1.00 0.00 O ATOM 1499 CB GLU A 103 13.340 8.695 8.600 1.00 0.00 C ATOM 1500 CG GLU A 103 14.409 8.962 7.539 1.00 0.00 C ATOM 1501 CD GLU A 103 15.375 10.057 7.996 1.00 0.00 C ATOM 1502 OE1 GLU A 103 15.019 11.241 7.811 1.00 0.00 O ATOM 1503 OE2 GLU A 103 16.447 9.686 8.520 1.00 0.00 O ATOM 0 H GLU A 103 11.914 7.592 6.761 1.00 0.00 H new ATOM 0 HA GLU A 103 13.767 6.618 8.811 1.00 0.00 H new ATOM 0 HB2 GLU A 103 12.480 9.342 8.426 1.00 0.00 H new ATOM 0 HB3 GLU A 103 13.731 8.944 9.586 1.00 0.00 H new ATOM 0 HG2 GLU A 103 14.963 8.045 7.337 1.00 0.00 H new ATOM 0 HG3 GLU A 103 13.933 9.259 6.605 1.00 0.00 H new ATOM 1510 N TYR A 104 10.833 7.850 9.657 1.00 0.00 N ATOM 1511 CA TYR A 104 9.742 7.725 10.608 1.00 0.00 C ATOM 1512 C TYR A 104 8.393 7.651 9.889 1.00 0.00 C ATOM 1513 O TYR A 104 7.494 8.443 10.166 1.00 0.00 O ATOM 1514 CB TYR A 104 9.781 8.992 11.465 1.00 0.00 C ATOM 1515 CG TYR A 104 10.975 9.062 12.418 1.00 0.00 C ATOM 1516 CD1 TYR A 104 12.208 9.469 11.951 1.00 0.00 C ATOM 1517 CD2 TYR A 104 10.819 8.719 13.746 1.00 0.00 C ATOM 1518 CE1 TYR A 104 13.332 9.535 12.848 1.00 0.00 C ATOM 1519 CE2 TYR A 104 11.943 8.785 14.643 1.00 0.00 C ATOM 1520 CZ TYR A 104 13.144 9.190 14.150 1.00 0.00 C ATOM 1521 OH TYR A 104 14.206 9.252 14.998 1.00 0.00 O ATOM 0 H TYR A 104 10.766 8.655 9.034 1.00 0.00 H new ATOM 0 HA TYR A 104 9.852 6.817 11.200 1.00 0.00 H new ATOM 0 HB2 TYR A 104 9.802 9.862 10.808 1.00 0.00 H new ATOM 0 HB3 TYR A 104 8.861 9.053 12.046 1.00 0.00 H new ATOM 0 HD1 TYR A 104 12.330 9.738 10.912 1.00 0.00 H new ATOM 0 HD2 TYR A 104 9.854 8.401 14.112 1.00 0.00 H new ATOM 0 HE1 TYR A 104 14.302 9.851 12.495 1.00 0.00 H new ATOM 0 HE2 TYR A 104 11.835 8.519 15.684 1.00 0.00 H new ATOM 0 HH TYR A 104 13.924 8.978 15.896 1.00 0.00 H new ATOM 1531 N THR A 105 8.296 6.692 8.979 1.00 0.00 N ATOM 1532 CA THR A 105 7.072 6.505 8.218 1.00 0.00 C ATOM 1533 C THR A 105 6.485 5.118 8.487 1.00 0.00 C ATOM 1534 O THR A 105 7.171 4.109 8.335 1.00 0.00 O ATOM 1535 CB THR A 105 7.391 6.755 6.743 1.00 0.00 C ATOM 1536 OG1 THR A 105 7.485 8.173 6.643 1.00 0.00 O ATOM 1537 CG2 THR A 105 6.223 6.393 5.822 1.00 0.00 C ATOM 0 H THR A 105 9.044 6.037 8.752 1.00 0.00 H new ATOM 0 HA THR A 105 6.302 7.214 8.524 1.00 0.00 H new ATOM 0 HB THR A 105 8.270 6.177 6.459 1.00 0.00 H new ATOM 0 HG1 THR A 105 8.118 8.410 5.934 1.00 0.00 H new ATOM 0 HG21 THR A 105 6.502 6.589 4.787 1.00 0.00 H new ATOM 0 HG22 THR A 105 5.981 5.337 5.939 1.00 0.00 H new ATOM 0 HG23 THR A 105 5.353 6.995 6.084 1.00 0.00 H new ATOM 1545 N SER A 106 5.220 5.113 8.881 1.00 0.00 N ATOM 1546 CA SER A 106 4.532 3.867 9.172 1.00 0.00 C ATOM 1547 C SER A 106 3.219 3.798 8.389 1.00 0.00 C ATOM 1548 O SER A 106 2.453 4.761 8.369 1.00 0.00 O ATOM 1549 CB SER A 106 4.264 3.723 10.672 1.00 0.00 C ATOM 1550 OG SER A 106 5.448 3.894 11.445 1.00 0.00 O ATOM 0 H SER A 106 4.654 5.952 9.005 1.00 0.00 H new ATOM 0 HA SER A 106 5.174 3.042 8.864 1.00 0.00 H new ATOM 0 HB2 SER A 106 3.521 4.459 10.980 1.00 0.00 H new ATOM 0 HB3 SER A 106 3.840 2.739 10.872 1.00 0.00 H new ATOM 0 HG SER A 106 5.234 3.796 12.396 1.00 0.00 H new ATOM 1556 N ILE A 107 2.999 2.651 7.764 1.00 0.00 N ATOM 1557 CA ILE A 107 1.792 2.445 6.981 1.00 0.00 C ATOM 1558 C ILE A 107 1.003 1.273 7.569 1.00 0.00 C ATOM 1559 O ILE A 107 1.587 0.272 7.982 1.00 0.00 O ATOM 1560 CB ILE A 107 2.137 2.273 5.501 1.00 0.00 C ATOM 1561 CG1 ILE A 107 3.069 3.388 5.022 1.00 0.00 C ATOM 1562 CG2 ILE A 107 0.868 2.182 4.650 1.00 0.00 C ATOM 1563 CD1 ILE A 107 3.510 3.151 3.576 1.00 0.00 C ATOM 0 H ILE A 107 3.636 1.855 7.784 1.00 0.00 H new ATOM 0 HA ILE A 107 1.148 3.323 7.034 1.00 0.00 H new ATOM 0 HB ILE A 107 2.674 1.332 5.382 1.00 0.00 H new ATOM 0 HG12 ILE A 107 2.561 4.349 5.098 1.00 0.00 H new ATOM 0 HG13 ILE A 107 3.945 3.438 5.669 1.00 0.00 H new ATOM 0 HG21 ILE A 107 1.141 2.060 3.602 1.00 0.00 H new ATOM 0 HG22 ILE A 107 0.274 1.327 4.972 1.00 0.00 H new ATOM 0 HG23 ILE A 107 0.284 3.095 4.769 1.00 0.00 H new ATOM 0 HD11 ILE A 107 4.172 3.958 3.260 1.00 0.00 H new ATOM 0 HD12 ILE A 107 4.039 2.200 3.508 1.00 0.00 H new ATOM 0 HD13 ILE A 107 2.634 3.126 2.928 1.00 0.00 H new ATOM 1575 N LEU A 108 -0.311 1.437 7.587 1.00 0.00 N ATOM 1576 CA LEU A 108 -1.187 0.405 8.117 1.00 0.00 C ATOM 1577 C LEU A 108 -1.961 -0.241 6.967 1.00 0.00 C ATOM 1578 O LEU A 108 -2.623 0.449 6.194 1.00 0.00 O ATOM 1579 CB LEU A 108 -2.083 0.976 9.217 1.00 0.00 C ATOM 1580 CG LEU A 108 -3.420 0.262 9.432 1.00 0.00 C ATOM 1581 CD1 LEU A 108 -3.206 -1.222 9.734 1.00 0.00 C ATOM 1582 CD2 LEU A 108 -4.244 0.956 10.518 1.00 0.00 C ATOM 0 H LEU A 108 -0.791 2.269 7.243 1.00 0.00 H new ATOM 0 HA LEU A 108 -0.603 -0.384 8.591 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -1.529 0.958 10.155 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -2.285 2.022 8.987 1.00 0.00 H new ATOM 0 HG LEU A 108 -3.993 0.323 8.507 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -4.171 -1.706 9.883 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -2.689 -1.693 8.898 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -2.605 -1.326 10.637 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -5.189 0.429 10.651 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -3.689 0.948 11.456 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -4.442 1.986 10.222 1.00 0.00 H new ATOM 1594 N VAL A 109 -1.851 -1.559 6.889 1.00 0.00 N ATOM 1595 CA VAL A 109 -2.533 -2.307 5.846 1.00 0.00 C ATOM 1596 C VAL A 109 -3.922 -2.713 6.340 1.00 0.00 C ATOM 1597 O VAL A 109 -4.047 -3.417 7.342 1.00 0.00 O ATOM 1598 CB VAL A 109 -1.679 -3.501 5.414 1.00 0.00 C ATOM 1599 CG1 VAL A 109 -2.447 -4.403 4.446 1.00 0.00 C ATOM 1600 CG2 VAL A 109 -0.357 -3.036 4.799 1.00 0.00 C ATOM 0 H VAL A 109 -1.300 -2.128 7.531 1.00 0.00 H new ATOM 0 HA VAL A 109 -2.672 -1.687 4.960 1.00 0.00 H new ATOM 0 HB VAL A 109 -1.447 -4.086 6.304 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -1.817 -5.244 4.155 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -3.348 -4.776 4.933 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -2.724 -3.833 3.559 1.00 0.00 H new ATOM 0 HG21 VAL A 109 0.231 -3.904 4.501 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -0.560 -2.417 3.925 1.00 0.00 H new ATOM 0 HG23 VAL A 109 0.201 -2.455 5.533 1.00 0.00 H new ATOM 1610 N ASN A 110 -4.932 -2.253 5.616 1.00 0.00 N ATOM 1611 CA ASN A 110 -6.307 -2.560 5.969 1.00 0.00 C ATOM 1612 C ASN A 110 -7.024 -3.143 4.749 1.00 0.00 C ATOM 1613 O ASN A 110 -6.870 -2.643 3.636 1.00 0.00 O ATOM 1614 CB ASN A 110 -7.059 -1.300 6.401 1.00 0.00 C ATOM 1615 CG ASN A 110 -7.387 -1.342 7.895 1.00 0.00 C ATOM 1616 OD1 ASN A 110 -8.520 -1.168 8.314 1.00 0.00 O ATOM 1617 ND2 ASN A 110 -6.335 -1.583 8.673 1.00 0.00 N ATOM 0 H ASN A 110 -4.825 -1.670 4.786 1.00 0.00 H new ATOM 0 HA ASN A 110 -6.292 -3.272 6.794 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -6.455 -0.419 6.182 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -7.980 -1.206 5.825 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -6.450 -1.631 9.685 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -5.414 -1.719 8.257 1.00 0.00 H new ATOM 1624 N PHE A 111 -7.792 -4.194 5.000 1.00 0.00 N ATOM 1625 CA PHE A 111 -8.533 -4.850 3.936 1.00 0.00 C ATOM 1626 C PHE A 111 -9.995 -4.399 3.927 1.00 0.00 C ATOM 1627 O PHE A 111 -10.774 -4.787 4.796 1.00 0.00 O ATOM 1628 CB PHE A 111 -8.477 -6.354 4.215 1.00 0.00 C ATOM 1629 CG PHE A 111 -7.105 -6.983 3.964 1.00 0.00 C ATOM 1630 CD1 PHE A 111 -6.359 -6.584 2.899 1.00 0.00 C ATOM 1631 CD2 PHE A 111 -6.632 -7.940 4.806 1.00 0.00 C ATOM 1632 CE1 PHE A 111 -5.085 -7.168 2.667 1.00 0.00 C ATOM 1633 CE2 PHE A 111 -5.359 -8.524 4.573 1.00 0.00 C ATOM 1634 CZ PHE A 111 -4.612 -8.126 3.509 1.00 0.00 C ATOM 0 H PHE A 111 -7.917 -4.607 5.924 1.00 0.00 H new ATOM 0 HA PHE A 111 -8.098 -4.598 2.969 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -8.762 -6.532 5.252 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -9.215 -6.857 3.590 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -6.735 -5.824 2.230 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -7.224 -8.256 5.652 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -4.492 -6.851 1.822 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -4.984 -9.285 5.241 1.00 0.00 H new ATOM 0 HZ PHE A 111 -3.644 -8.570 3.332 1.00 0.00 H new ATOM 1644 N VAL A 112 -10.323 -3.585 2.934 1.00 0.00 N ATOM 1645 CA VAL A 112 -11.677 -3.077 2.800 1.00 0.00 C ATOM 1646 C VAL A 112 -12.496 -4.039 1.938 1.00 0.00 C ATOM 1647 O VAL A 112 -12.281 -4.132 0.730 1.00 0.00 O ATOM 1648 CB VAL A 112 -11.649 -1.652 2.243 1.00 0.00 C ATOM 1649 CG1 VAL A 112 -13.018 -0.982 2.380 1.00 0.00 C ATOM 1650 CG2 VAL A 112 -10.561 -0.819 2.924 1.00 0.00 C ATOM 0 H VAL A 112 -9.674 -3.265 2.215 1.00 0.00 H new ATOM 0 HA VAL A 112 -12.161 -3.022 3.775 1.00 0.00 H new ATOM 0 HB VAL A 112 -11.410 -1.712 1.181 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -12.970 0.029 1.977 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -13.762 -1.558 1.829 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -13.299 -0.940 3.432 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -10.562 0.189 2.510 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -10.756 -0.772 3.995 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -9.589 -1.280 2.752 1.00 0.00 H new ATOM 1660 N SER A 113 -13.417 -4.732 2.591 1.00 0.00 N ATOM 1661 CA SER A 113 -14.269 -5.684 1.899 1.00 0.00 C ATOM 1662 C SER A 113 -15.367 -4.944 1.133 1.00 0.00 C ATOM 1663 O SER A 113 -15.821 -3.884 1.561 1.00 0.00 O ATOM 1664 CB SER A 113 -14.887 -6.684 2.879 1.00 0.00 C ATOM 1665 OG SER A 113 -14.665 -8.033 2.476 1.00 0.00 O ATOM 0 H SER A 113 -13.592 -4.653 3.593 1.00 0.00 H new ATOM 0 HA SER A 113 -13.655 -6.241 1.192 1.00 0.00 H new ATOM 0 HB2 SER A 113 -14.464 -6.528 3.871 1.00 0.00 H new ATOM 0 HB3 SER A 113 -15.959 -6.500 2.957 1.00 0.00 H new ATOM 0 HG SER A 113 -15.073 -8.640 3.128 1.00 0.00 H new ATOM 1671 N GLY A 114 -15.762 -5.532 0.014 1.00 0.00 N ATOM 1672 CA GLY A 114 -16.799 -4.941 -0.816 1.00 0.00 C ATOM 1673 C GLY A 114 -18.191 -5.316 -0.304 1.00 0.00 C ATOM 1674 O GLY A 114 -18.335 -6.243 0.491 1.00 0.00 O ATOM 0 H GLY A 114 -15.383 -6.411 -0.338 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -16.690 -3.856 -0.823 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -16.683 -5.280 -1.846 1.00 0.00 H new ATOM 1678 N PRO A 115 -19.207 -4.556 -0.794 1.00 0.00 N ATOM 1679 CA PRO A 115 -20.583 -4.799 -0.394 1.00 0.00 C ATOM 1680 C PRO A 115 -21.140 -6.048 -1.080 1.00 0.00 C ATOM 1681 O PRO A 115 -21.375 -6.046 -2.287 1.00 0.00 O ATOM 1682 CB PRO A 115 -21.331 -3.530 -0.771 1.00 0.00 C ATOM 1683 CG PRO A 115 -20.453 -2.813 -1.783 1.00 0.00 C ATOM 1684 CD PRO A 115 -19.074 -3.450 -1.738 1.00 0.00 C ATOM 0 HA PRO A 115 -20.683 -5.002 0.672 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -22.307 -3.764 -1.197 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -21.507 -2.906 0.105 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -20.879 -2.895 -2.783 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -20.390 -1.750 -1.549 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -18.769 -3.804 -2.723 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -18.319 -2.737 -1.408 1.00 0.00 H new ATOM 1692 N SER A 116 -21.337 -7.085 -0.279 1.00 0.00 N ATOM 1693 CA SER A 116 -21.863 -8.338 -0.793 1.00 0.00 C ATOM 1694 C SER A 116 -22.124 -9.309 0.361 1.00 0.00 C ATOM 1695 O SER A 116 -23.254 -9.752 0.560 1.00 0.00 O ATOM 1696 CB SER A 116 -20.902 -8.964 -1.806 1.00 0.00 C ATOM 1697 OG SER A 116 -21.383 -10.213 -2.296 1.00 0.00 O ATOM 0 H SER A 116 -21.142 -7.083 0.722 1.00 0.00 H new ATOM 0 HA SER A 116 -22.803 -8.130 -1.304 1.00 0.00 H new ATOM 0 HB2 SER A 116 -20.758 -8.278 -2.641 1.00 0.00 H new ATOM 0 HB3 SER A 116 -19.927 -9.108 -1.340 1.00 0.00 H new ATOM 0 HG SER A 116 -20.743 -10.580 -2.941 1.00 0.00 H new ATOM 1703 N SER A 117 -21.060 -9.610 1.091 1.00 0.00 N ATOM 1704 CA SER A 117 -21.160 -10.519 2.220 1.00 0.00 C ATOM 1705 C SER A 117 -20.895 -9.766 3.524 1.00 0.00 C ATOM 1706 O SER A 117 -19.758 -9.395 3.811 1.00 0.00 O ATOM 1707 CB SER A 117 -20.184 -11.688 2.074 1.00 0.00 C ATOM 1708 OG SER A 117 -20.431 -12.713 3.032 1.00 0.00 O ATOM 0 H SER A 117 -20.124 -9.240 0.923 1.00 0.00 H new ATOM 0 HA SER A 117 -22.171 -10.926 2.243 1.00 0.00 H new ATOM 0 HB2 SER A 117 -20.264 -12.104 1.070 1.00 0.00 H new ATOM 0 HB3 SER A 117 -19.163 -11.324 2.188 1.00 0.00 H new ATOM 0 HG SER A 117 -19.788 -13.442 2.904 1.00 0.00 H new ATOM 1714 N GLY A 118 -21.963 -9.562 4.281 1.00 0.00 N ATOM 1715 CA GLY A 118 -21.860 -8.859 5.548 1.00 0.00 C ATOM 1716 C GLY A 118 -21.492 -9.821 6.680 1.00 0.00 C ATOM 1717 O GLY A 118 -20.988 -9.398 7.719 1.00 0.00 O ATOM 0 H GLY A 118 -22.905 -9.872 4.041 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -21.107 -8.075 5.473 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -22.807 -8.370 5.775 1.00 0.00 H new TER 1721 GLY A 118