USER MOD reduce.3.24.130724 H: found=0, std=0, add=906, rem=0, adj=51 USER MOD reduce.3.24.130724 removed 904 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 96 MET CE :methyl -124:sc= -1.8 (180deg=-2.14) USER MOD Set 1.2: A 98 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 75 THR OG1 : rot -114:sc= 0.953 USER MOD Set 2.2: A 77 SER OG : rot 104:sc= 1.54 USER MOD Set 3.1: A 50 THR OG1 : rot 120:sc= -0.227 USER MOD Set 3.2: A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 31 THR OG1 : rot -86:sc= 0.596 USER MOD Set 4.2: A 32 HIS : no HD1:sc= 0.934 K(o=1.5,f=-2.8!) USER MOD Single : A 1 GLY N :NH3+ -116:sc= 0.0851 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl -176:sc= -7.36! (180deg=-7.77!) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.981 X(o=-0.98,f=-0.61) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= -0.886 X(o=-0.89,f=-1) USER MOD Single : A 48 GLN : amide:sc= -0.386 X(o=-0.39,f=-0.35) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= -0.128 USER MOD Single : A 56 TYR OH : rot -154:sc= -0.453 USER MOD Single : A 57 THR OG1 : rot 106:sc= 0.00275 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.58 USER MOD Single : A 63 SER OG : rot 180:sc=-0.00487 USER MOD Single : A 65 SER OG : rot -160:sc= -0.0572 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 13:sc= 0.85 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot -16:sc= -1.04 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -111:sc=-0.00995 (180deg=-1.13) USER MOD Single : A 88 ASN :FLIP amide:sc= -0.594 F(o=-2.1,f=-0.59) USER MOD Single : A 89 THR OG1 : rot -90:sc= -1.7 USER MOD Single : A 90 MET CE :methyl 154:sc= -0.651 (180deg=-1.82!) USER MOD Single : A 91 TYR OH : rot 99:sc= -0.672 USER MOD Single : A 94 SER OG : rot 120:sc= 0.945 USER MOD Single : A 100 ASN :FLIP amide:sc= 0.548 F(o=0,f=0.55) USER MOD Single : A 103 SER OG : rot 180:sc=0.000136 USER MOD Single : A 104 SER OG : rot 180:sc= -0.505! USER MOD Single : A 105 THR OG1 : rot -120:sc= -0.154 USER MOD Single : A 107 SER OG : rot 5:sc= -1.48 USER MOD Single : A 108 MET CE :methyl -125:sc= 0 (180deg=-0.0143) USER MOD Single : A 109 THR OG1 : rot 179:sc= 0.0113 USER MOD Single : A 111 HIS : no HD1:sc= -0.224 X(o=-0.22,f=-0.59) USER MOD Single : A 113 THR OG1 : rot 180:sc= -0.866 USER MOD Single : A 114 THR OG1 : rot -175:sc= 1.17 USER MOD Single : A 115 TYR OH : rot 144:sc= 1.14 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot -57:sc= 0.808 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.631 -28.355 22.265 1.00 0.00 N ATOM 2 CA GLY A 1 -9.661 -26.934 21.972 1.00 0.00 C ATOM 3 C GLY A 1 -8.504 -26.187 22.605 1.00 0.00 C ATOM 4 O GLY A 1 -7.697 -26.774 23.325 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.498 -28.889 21.382 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.845 -28.559 22.915 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.529 -28.637 22.708 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.636 -26.788 20.892 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.601 -26.512 22.329 1.00 0.00 H new ATOM 8 N SER A 2 -8.422 -24.888 22.335 1.00 0.00 N ATOM 9 CA SER A 2 -7.352 -24.060 22.879 1.00 0.00 C ATOM 10 C SER A 2 -7.668 -22.578 22.703 1.00 0.00 C ATOM 11 O SER A 2 -8.648 -22.214 22.052 1.00 0.00 O ATOM 12 CB SER A 2 -6.023 -24.394 22.198 1.00 0.00 C ATOM 13 OG SER A 2 -4.925 -24.048 23.025 1.00 0.00 O ATOM 0 H SER A 2 -9.084 -24.386 21.743 1.00 0.00 H new ATOM 0 HA SER A 2 -7.269 -24.272 23.945 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.987 -25.459 21.967 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.952 -23.859 21.251 1.00 0.00 H new ATOM 0 HG SER A 2 -4.088 -24.273 22.568 1.00 0.00 H new ATOM 19 N SER A 3 -6.831 -21.727 23.287 1.00 0.00 N ATOM 20 CA SER A 3 -7.023 -20.284 23.199 1.00 0.00 C ATOM 21 C SER A 3 -6.353 -19.723 21.948 1.00 0.00 C ATOM 22 O SER A 3 -5.573 -20.408 21.287 1.00 0.00 O ATOM 23 CB SER A 3 -6.460 -19.596 24.445 1.00 0.00 C ATOM 24 OG SER A 3 -5.045 -19.535 24.398 1.00 0.00 O ATOM 0 H SER A 3 -6.013 -22.012 23.826 1.00 0.00 H new ATOM 0 HA SER A 3 -8.093 -20.087 23.137 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.868 -18.588 24.524 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.774 -20.138 25.337 1.00 0.00 H new ATOM 0 HG SER A 3 -4.710 -19.090 25.204 1.00 0.00 H new ATOM 30 N GLY A 4 -6.664 -18.470 21.630 1.00 0.00 N ATOM 31 CA GLY A 4 -6.084 -17.837 20.459 1.00 0.00 C ATOM 32 C GLY A 4 -4.912 -16.941 20.806 1.00 0.00 C ATOM 33 O GLY A 4 -4.230 -17.158 21.808 1.00 0.00 O ATOM 0 H GLY A 4 -7.306 -17.882 22.161 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.755 -18.606 19.759 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.849 -17.250 19.951 1.00 0.00 H new ATOM 37 N SER A 5 -4.674 -15.931 19.975 1.00 0.00 N ATOM 38 CA SER A 5 -3.572 -15.002 20.195 1.00 0.00 C ATOM 39 C SER A 5 -3.617 -13.857 19.187 1.00 0.00 C ATOM 40 O SER A 5 -3.634 -14.082 17.977 1.00 0.00 O ATOM 41 CB SER A 5 -2.233 -15.734 20.094 1.00 0.00 C ATOM 42 OG SER A 5 -1.181 -14.949 20.629 1.00 0.00 O ATOM 0 H SER A 5 -5.230 -15.735 19.143 1.00 0.00 H new ATOM 0 HA SER A 5 -3.675 -14.585 21.197 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.292 -16.682 20.629 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.021 -15.969 19.051 1.00 0.00 H new ATOM 0 HG SER A 5 -0.336 -15.440 20.554 1.00 0.00 H new ATOM 48 N SER A 6 -3.636 -12.630 19.696 1.00 0.00 N ATOM 49 CA SER A 6 -3.682 -11.449 18.842 1.00 0.00 C ATOM 50 C SER A 6 -2.357 -10.694 18.885 1.00 0.00 C ATOM 51 O SER A 6 -1.483 -10.999 19.696 1.00 0.00 O ATOM 52 CB SER A 6 -4.822 -10.525 19.274 1.00 0.00 C ATOM 53 OG SER A 6 -6.075 -11.019 18.831 1.00 0.00 O ATOM 0 H SER A 6 -3.620 -12.427 20.696 1.00 0.00 H new ATOM 0 HA SER A 6 -3.859 -11.779 17.818 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.827 -10.432 20.360 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.658 -9.526 18.870 1.00 0.00 H new ATOM 0 HG SER A 6 -6.787 -10.412 19.121 1.00 0.00 H new ATOM 59 N GLY A 7 -2.215 -9.707 18.006 1.00 0.00 N ATOM 60 CA GLY A 7 -0.995 -8.924 17.959 1.00 0.00 C ATOM 61 C GLY A 7 -1.218 -7.479 18.357 1.00 0.00 C ATOM 62 O GLY A 7 -1.903 -7.196 19.341 1.00 0.00 O ATOM 0 H GLY A 7 -2.924 -9.436 17.325 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.255 -9.370 18.623 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.582 -8.960 16.951 1.00 0.00 H new ATOM 66 N PHE A 8 -0.637 -6.560 17.593 1.00 0.00 N ATOM 67 CA PHE A 8 -0.774 -5.135 17.872 1.00 0.00 C ATOM 68 C PHE A 8 -0.194 -4.299 16.734 1.00 0.00 C ATOM 69 O PHE A 8 0.853 -4.615 16.170 1.00 0.00 O ATOM 70 CB PHE A 8 -0.074 -4.782 19.187 1.00 0.00 C ATOM 71 CG PHE A 8 -0.580 -3.514 19.814 1.00 0.00 C ATOM 72 CD1 PHE A 8 -1.757 -3.509 20.545 1.00 0.00 C ATOM 73 CD2 PHE A 8 0.121 -2.328 19.671 1.00 0.00 C ATOM 74 CE1 PHE A 8 -2.225 -2.345 21.123 1.00 0.00 C ATOM 75 CE2 PHE A 8 -0.342 -1.160 20.248 1.00 0.00 C ATOM 76 CZ PHE A 8 -1.518 -1.168 20.974 1.00 0.00 C ATOM 0 H PHE A 8 -0.067 -6.777 16.776 1.00 0.00 H new ATOM 0 HA PHE A 8 -1.836 -4.908 17.961 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -0.205 -5.604 19.891 1.00 0.00 H new ATOM 0 HB3 PHE A 8 0.996 -4.686 19.005 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -2.315 -4.426 20.664 1.00 0.00 H new ATOM 0 HD2 PHE A 8 1.039 -2.315 19.103 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -3.143 -2.355 21.691 1.00 0.00 H new ATOM 0 HE2 PHE A 8 0.215 -0.242 20.131 1.00 0.00 H new ATOM 0 HZ PHE A 8 -1.883 -0.256 21.424 1.00 0.00 H new ATOM 86 N PRO A 9 -0.892 -3.207 16.389 1.00 0.00 N ATOM 87 CA PRO A 9 -0.467 -2.303 15.316 1.00 0.00 C ATOM 88 C PRO A 9 0.780 -1.509 15.687 1.00 0.00 C ATOM 89 O PRO A 9 0.805 -0.809 16.701 1.00 0.00 O ATOM 90 CB PRO A 9 -1.666 -1.367 15.145 1.00 0.00 C ATOM 91 CG PRO A 9 -2.354 -1.387 16.466 1.00 0.00 C ATOM 92 CD PRO A 9 -2.150 -2.771 17.019 1.00 0.00 C ATOM 0 HA PRO A 9 -0.199 -2.845 14.409 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -1.347 -0.359 14.880 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -2.327 -1.711 14.349 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -1.937 -0.634 17.135 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -3.415 -1.163 16.357 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -2.073 -2.762 18.106 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.978 -3.432 16.763 1.00 0.00 H new ATOM 100 N THR A 10 1.815 -1.620 14.861 1.00 0.00 N ATOM 101 CA THR A 10 3.066 -0.912 15.103 1.00 0.00 C ATOM 102 C THR A 10 3.432 -0.022 13.921 1.00 0.00 C ATOM 103 O THR A 10 3.768 -0.512 12.843 1.00 0.00 O ATOM 104 CB THR A 10 4.224 -1.893 15.370 1.00 0.00 C ATOM 105 OG1 THR A 10 3.925 -2.704 16.512 1.00 0.00 O ATOM 106 CG2 THR A 10 5.526 -1.142 15.601 1.00 0.00 C ATOM 0 H THR A 10 1.812 -2.194 14.018 1.00 0.00 H new ATOM 0 HA THR A 10 2.913 -0.293 15.987 1.00 0.00 H new ATOM 0 HB THR A 10 4.342 -2.530 14.494 1.00 0.00 H new ATOM 0 HG1 THR A 10 4.665 -3.326 16.674 1.00 0.00 H new ATOM 0 HG21 THR A 10 6.329 -1.855 15.787 1.00 0.00 H new ATOM 0 HG22 THR A 10 5.765 -0.549 14.719 1.00 0.00 H new ATOM 0 HG23 THR A 10 5.418 -0.483 16.463 1.00 0.00 H new ATOM 114 N SER A 11 3.365 1.289 14.130 1.00 0.00 N ATOM 115 CA SER A 11 3.687 2.249 13.080 1.00 0.00 C ATOM 116 C SER A 11 5.134 2.716 13.196 1.00 0.00 C ATOM 117 O SER A 11 5.656 2.892 14.297 1.00 0.00 O ATOM 118 CB SER A 11 2.743 3.451 13.152 1.00 0.00 C ATOM 119 OG SER A 11 3.038 4.392 12.135 1.00 0.00 O ATOM 0 H SER A 11 3.091 1.711 15.017 1.00 0.00 H new ATOM 0 HA SER A 11 3.560 1.754 12.117 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.711 3.114 13.052 1.00 0.00 H new ATOM 0 HB3 SER A 11 2.829 3.927 14.129 1.00 0.00 H new ATOM 0 HG SER A 11 2.420 5.150 12.201 1.00 0.00 H new ATOM 125 N VAL A 12 5.779 2.914 12.050 1.00 0.00 N ATOM 126 CA VAL A 12 7.166 3.362 12.021 1.00 0.00 C ATOM 127 C VAL A 12 7.252 4.877 11.872 1.00 0.00 C ATOM 128 O VAL A 12 6.526 5.490 11.089 1.00 0.00 O ATOM 129 CB VAL A 12 7.946 2.699 10.870 1.00 0.00 C ATOM 130 CG1 VAL A 12 8.292 1.259 11.219 1.00 0.00 C ATOM 131 CG2 VAL A 12 7.147 2.766 9.578 1.00 0.00 C ATOM 0 H VAL A 12 5.363 2.771 11.130 1.00 0.00 H new ATOM 0 HA VAL A 12 7.613 3.068 12.970 1.00 0.00 H new ATOM 0 HB VAL A 12 8.878 3.246 10.723 1.00 0.00 H new ATOM 0 HG11 VAL A 12 8.843 0.807 10.394 1.00 0.00 H new ATOM 0 HG12 VAL A 12 8.907 1.240 12.119 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.375 0.697 11.394 1.00 0.00 H new ATOM 0 HG21 VAL A 12 7.713 2.293 8.775 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.199 2.245 9.709 1.00 0.00 H new ATOM 0 HG23 VAL A 12 6.956 3.808 9.322 1.00 0.00 H new ATOM 141 N PRO A 13 8.159 5.497 12.641 1.00 0.00 N ATOM 142 CA PRO A 13 8.362 6.948 12.612 1.00 0.00 C ATOM 143 C PRO A 13 9.000 7.418 11.309 1.00 0.00 C ATOM 144 O PRO A 13 10.223 7.516 11.206 1.00 0.00 O ATOM 145 CB PRO A 13 9.307 7.198 13.790 1.00 0.00 C ATOM 146 CG PRO A 13 10.032 5.910 13.974 1.00 0.00 C ATOM 147 CD PRO A 13 9.058 4.828 13.597 1.00 0.00 C ATOM 0 HA PRO A 13 7.420 7.492 12.680 1.00 0.00 H new ATOM 0 HB2 PRO A 13 9.998 8.014 13.577 1.00 0.00 H new ATOM 0 HB3 PRO A 13 8.755 7.474 14.689 1.00 0.00 H new ATOM 0 HG2 PRO A 13 10.922 5.870 13.346 1.00 0.00 H new ATOM 0 HG3 PRO A 13 10.365 5.793 15.005 1.00 0.00 H new ATOM 0 HD2 PRO A 13 9.562 3.974 13.145 1.00 0.00 H new ATOM 0 HD3 PRO A 13 8.515 4.455 14.466 1.00 0.00 H new ATOM 155 N ASP A 14 8.165 7.708 10.317 1.00 0.00 N ATOM 156 CA ASP A 14 8.648 8.169 9.021 1.00 0.00 C ATOM 157 C ASP A 14 9.108 9.622 9.098 1.00 0.00 C ATOM 158 O ASP A 14 8.859 10.311 10.088 1.00 0.00 O ATOM 159 CB ASP A 14 7.553 8.024 7.964 1.00 0.00 C ATOM 160 CG ASP A 14 7.156 6.578 7.736 1.00 0.00 C ATOM 161 OD1 ASP A 14 8.014 5.691 7.926 1.00 0.00 O ATOM 162 OD2 ASP A 14 5.988 6.334 7.367 1.00 0.00 O ATOM 0 H ASP A 14 7.150 7.632 10.386 1.00 0.00 H new ATOM 0 HA ASP A 14 9.500 7.551 8.738 1.00 0.00 H new ATOM 0 HB2 ASP A 14 6.677 8.594 8.272 1.00 0.00 H new ATOM 0 HB3 ASP A 14 7.899 8.455 7.025 1.00 0.00 H new ATOM 167 N LEU A 15 9.782 10.080 8.049 1.00 0.00 N ATOM 168 CA LEU A 15 10.278 11.451 7.998 1.00 0.00 C ATOM 169 C LEU A 15 9.132 12.450 8.120 1.00 0.00 C ATOM 170 O LEU A 15 7.972 12.109 7.891 1.00 0.00 O ATOM 171 CB LEU A 15 11.041 11.689 6.693 1.00 0.00 C ATOM 172 CG LEU A 15 12.511 11.270 6.689 1.00 0.00 C ATOM 173 CD1 LEU A 15 12.634 9.754 6.660 1.00 0.00 C ATOM 174 CD2 LEU A 15 13.239 11.889 5.504 1.00 0.00 C ATOM 0 H LEU A 15 9.998 9.522 7.223 1.00 0.00 H new ATOM 0 HA LEU A 15 10.954 11.598 8.840 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.529 11.153 5.893 1.00 0.00 H new ATOM 0 HB3 LEU A 15 10.986 12.751 6.452 1.00 0.00 H new ATOM 0 HG LEU A 15 12.975 11.634 7.606 1.00 0.00 H new ATOM 0 HD11 LEU A 15 13.688 9.474 6.658 1.00 0.00 H new ATOM 0 HD12 LEU A 15 12.149 9.333 7.540 1.00 0.00 H new ATOM 0 HD13 LEU A 15 12.154 9.367 5.761 1.00 0.00 H new ATOM 0 HD21 LEU A 15 14.284 11.580 5.517 1.00 0.00 H new ATOM 0 HD22 LEU A 15 12.774 11.555 4.576 1.00 0.00 H new ATOM 0 HD23 LEU A 15 13.181 12.976 5.569 1.00 0.00 H new ATOM 186 N SER A 16 9.467 13.685 8.480 1.00 0.00 N ATOM 187 CA SER A 16 8.465 14.734 8.634 1.00 0.00 C ATOM 188 C SER A 16 8.558 15.745 7.496 1.00 0.00 C ATOM 189 O SER A 16 9.543 16.475 7.376 1.00 0.00 O ATOM 190 CB SER A 16 8.643 15.444 9.978 1.00 0.00 C ATOM 191 OG SER A 16 7.962 14.755 11.012 1.00 0.00 O ATOM 0 H SER A 16 10.424 13.984 8.670 1.00 0.00 H new ATOM 0 HA SER A 16 7.480 14.269 8.604 1.00 0.00 H new ATOM 0 HB2 SER A 16 9.704 15.512 10.219 1.00 0.00 H new ATOM 0 HB3 SER A 16 8.266 16.464 9.907 1.00 0.00 H new ATOM 0 HG SER A 16 8.092 15.227 11.861 1.00 0.00 H new ATOM 197 N THR A 17 7.525 15.783 6.660 1.00 0.00 N ATOM 198 CA THR A 17 7.488 16.702 5.530 1.00 0.00 C ATOM 199 C THR A 17 6.179 17.482 5.498 1.00 0.00 C ATOM 200 O THR A 17 5.136 17.010 5.952 1.00 0.00 O ATOM 201 CB THR A 17 7.663 15.957 4.194 1.00 0.00 C ATOM 202 OG1 THR A 17 6.743 14.862 4.120 1.00 0.00 O ATOM 203 CG2 THR A 17 9.086 15.442 4.043 1.00 0.00 C ATOM 0 H THR A 17 6.702 15.187 6.745 1.00 0.00 H new ATOM 0 HA THR A 17 8.318 17.397 5.660 1.00 0.00 H new ATOM 0 HB THR A 17 7.460 16.657 3.384 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.859 14.394 3.267 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.185 14.919 3.092 1.00 0.00 H new ATOM 0 HG22 THR A 17 9.781 16.281 4.070 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.313 14.756 4.859 1.00 0.00 H new ATOM 211 N PRO A 18 6.230 18.704 4.947 1.00 0.00 N ATOM 212 CA PRO A 18 5.055 19.574 4.841 1.00 0.00 C ATOM 213 C PRO A 18 4.038 19.054 3.830 1.00 0.00 C ATOM 214 O PRO A 18 3.035 19.710 3.552 1.00 0.00 O ATOM 215 CB PRO A 18 5.642 20.907 4.371 1.00 0.00 C ATOM 216 CG PRO A 18 6.904 20.539 3.669 1.00 0.00 C ATOM 217 CD PRO A 18 7.439 19.330 4.385 1.00 0.00 C ATOM 0 HA PRO A 18 4.511 19.641 5.783 1.00 0.00 H new ATOM 0 HB2 PRO A 18 4.956 21.429 3.704 1.00 0.00 H new ATOM 0 HB3 PRO A 18 5.836 21.572 5.212 1.00 0.00 H new ATOM 0 HG2 PRO A 18 6.716 20.319 2.618 1.00 0.00 H new ATOM 0 HG3 PRO A 18 7.621 21.359 3.699 1.00 0.00 H new ATOM 0 HD2 PRO A 18 7.960 18.657 3.704 1.00 0.00 H new ATOM 0 HD3 PRO A 18 8.148 19.606 5.165 1.00 0.00 H new ATOM 225 N MET A 19 4.304 17.872 3.285 1.00 0.00 N ATOM 226 CA MET A 19 3.410 17.263 2.306 1.00 0.00 C ATOM 227 C MET A 19 2.344 16.417 2.996 1.00 0.00 C ATOM 228 O MET A 19 2.542 15.943 4.115 1.00 0.00 O ATOM 229 CB MET A 19 4.205 16.402 1.324 1.00 0.00 C ATOM 230 CG MET A 19 4.971 17.210 0.288 1.00 0.00 C ATOM 231 SD MET A 19 3.898 17.904 -0.984 1.00 0.00 S ATOM 232 CE MET A 19 3.361 16.415 -1.822 1.00 0.00 C ATOM 0 H MET A 19 5.131 17.316 3.504 1.00 0.00 H new ATOM 0 HA MET A 19 2.914 18.063 1.756 1.00 0.00 H new ATOM 0 HB2 MET A 19 4.908 15.784 1.882 1.00 0.00 H new ATOM 0 HB3 MET A 19 3.522 15.725 0.812 1.00 0.00 H new ATOM 0 HG2 MET A 19 5.507 18.018 0.787 1.00 0.00 H new ATOM 0 HG3 MET A 19 5.720 16.573 -0.182 1.00 0.00 H new ATOM 0 HE1 MET A 19 2.746 16.683 -2.681 1.00 0.00 H new ATOM 0 HE2 MET A 19 4.232 15.854 -2.160 1.00 0.00 H new ATOM 0 HE3 MET A 19 2.778 15.801 -1.135 1.00 0.00 H new ATOM 242 N LEU A 20 1.215 16.232 2.321 1.00 0.00 N ATOM 243 CA LEU A 20 0.117 15.443 2.869 1.00 0.00 C ATOM 244 C LEU A 20 -0.158 14.218 2.003 1.00 0.00 C ATOM 245 O LEU A 20 -0.735 14.310 0.919 1.00 0.00 O ATOM 246 CB LEU A 20 -1.146 16.298 2.979 1.00 0.00 C ATOM 247 CG LEU A 20 -2.140 15.889 4.067 1.00 0.00 C ATOM 248 CD1 LEU A 20 -2.592 14.451 3.864 1.00 0.00 C ATOM 249 CD2 LEU A 20 -1.524 16.067 5.447 1.00 0.00 C ATOM 0 H LEU A 20 1.036 16.617 1.394 1.00 0.00 H new ATOM 0 HA LEU A 20 0.407 15.104 3.864 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.847 17.331 3.157 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.660 16.276 2.018 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.014 16.536 3.995 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.299 14.178 4.647 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.074 14.355 2.891 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.728 13.788 3.908 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.246 15.771 6.208 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.633 15.445 5.531 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.252 17.112 5.592 1.00 0.00 H new ATOM 261 N PRO A 21 0.262 13.041 2.491 1.00 0.00 N ATOM 262 CA PRO A 21 0.070 11.774 1.779 1.00 0.00 C ATOM 263 C PRO A 21 -1.394 11.347 1.741 1.00 0.00 C ATOM 264 O PRO A 21 -2.251 11.923 2.412 1.00 0.00 O ATOM 265 CB PRO A 21 0.896 10.779 2.596 1.00 0.00 C ATOM 266 CG PRO A 21 0.951 11.365 3.965 1.00 0.00 C ATOM 267 CD PRO A 21 0.957 12.857 3.776 1.00 0.00 C ATOM 0 HA PRO A 21 0.373 11.843 0.734 1.00 0.00 H new ATOM 0 HB2 PRO A 21 0.431 9.793 2.606 1.00 0.00 H new ATOM 0 HB3 PRO A 21 1.895 10.656 2.178 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.093 11.050 4.559 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.844 11.035 4.495 1.00 0.00 H new ATOM 0 HD2 PRO A 21 0.440 13.367 4.589 1.00 0.00 H new ATOM 0 HD3 PRO A 21 1.972 13.254 3.745 1.00 0.00 H new ATOM 275 N PRO A 22 -1.689 10.314 0.939 1.00 0.00 N ATOM 276 CA PRO A 22 -3.049 9.786 0.795 1.00 0.00 C ATOM 277 C PRO A 22 -3.530 9.073 2.054 1.00 0.00 C ATOM 278 O PRO A 22 -2.792 8.952 3.032 1.00 0.00 O ATOM 279 CB PRO A 22 -2.925 8.796 -0.366 1.00 0.00 C ATOM 280 CG PRO A 22 -1.494 8.381 -0.358 1.00 0.00 C ATOM 281 CD PRO A 22 -0.717 9.580 0.110 1.00 0.00 C ATOM 0 HA PRO A 22 -3.777 10.578 0.621 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.586 7.940 -0.229 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -3.197 9.261 -1.314 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -1.338 7.531 0.307 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -1.172 8.071 -1.352 1.00 0.00 H new ATOM 0 HD2 PRO A 22 0.163 9.290 0.684 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -0.366 10.183 -0.727 1.00 0.00 H new ATOM 289 N VAL A 23 -4.772 8.602 2.024 1.00 0.00 N ATOM 290 CA VAL A 23 -5.352 7.898 3.162 1.00 0.00 C ATOM 291 C VAL A 23 -6.300 6.797 2.703 1.00 0.00 C ATOM 292 O VAL A 23 -6.481 6.578 1.506 1.00 0.00 O ATOM 293 CB VAL A 23 -6.114 8.864 4.089 1.00 0.00 C ATOM 294 CG1 VAL A 23 -5.189 9.959 4.596 1.00 0.00 C ATOM 295 CG2 VAL A 23 -7.313 9.459 3.368 1.00 0.00 C ATOM 0 H VAL A 23 -5.397 8.695 1.223 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.524 7.452 3.714 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.478 8.303 4.949 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.745 10.632 5.249 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.366 9.511 5.153 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.792 10.521 3.750 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.840 10.139 4.038 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.974 10.006 2.488 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.986 8.659 3.060 1.00 0.00 H new ATOM 305 N GLY A 24 -6.905 6.105 3.664 1.00 0.00 N ATOM 306 CA GLY A 24 -7.828 5.034 3.339 1.00 0.00 C ATOM 307 C GLY A 24 -7.282 4.100 2.278 1.00 0.00 C ATOM 308 O GLY A 24 -8.004 3.693 1.367 1.00 0.00 O ATOM 0 H GLY A 24 -6.772 6.268 4.662 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -8.050 4.464 4.241 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -8.769 5.462 2.993 1.00 0.00 H new ATOM 312 N VAL A 25 -6.002 3.760 2.392 1.00 0.00 N ATOM 313 CA VAL A 25 -5.359 2.868 1.435 1.00 0.00 C ATOM 314 C VAL A 25 -6.014 1.492 1.440 1.00 0.00 C ATOM 315 O VAL A 25 -6.002 0.792 2.453 1.00 0.00 O ATOM 316 CB VAL A 25 -3.857 2.711 1.735 1.00 0.00 C ATOM 317 CG1 VAL A 25 -3.168 1.936 0.623 1.00 0.00 C ATOM 318 CG2 VAL A 25 -3.207 4.073 1.928 1.00 0.00 C ATOM 0 H VAL A 25 -5.390 4.089 3.138 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.479 3.321 0.451 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.747 2.146 2.661 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.107 1.835 0.853 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.616 0.946 0.538 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.286 2.470 -0.320 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.146 3.943 2.139 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.327 4.665 1.021 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.683 4.588 2.763 1.00 0.00 H new ATOM 328 N GLN A 26 -6.584 1.109 0.302 1.00 0.00 N ATOM 329 CA GLN A 26 -7.244 -0.185 0.176 1.00 0.00 C ATOM 330 C GLN A 26 -6.564 -1.042 -0.886 1.00 0.00 C ATOM 331 O GLN A 26 -6.403 -0.618 -2.030 1.00 0.00 O ATOM 332 CB GLN A 26 -8.721 0.005 -0.174 1.00 0.00 C ATOM 333 CG GLN A 26 -9.455 -1.300 -0.441 1.00 0.00 C ATOM 334 CD GLN A 26 -10.931 -1.218 -0.104 1.00 0.00 C ATOM 335 OE1 GLN A 26 -11.365 -1.680 0.952 1.00 0.00 O ATOM 336 NE2 GLN A 26 -11.712 -0.628 -1.001 1.00 0.00 N ATOM 0 H GLN A 26 -6.602 1.676 -0.546 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.168 -0.699 1.134 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.215 0.530 0.644 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.798 0.643 -1.055 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.340 -1.569 -1.491 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -8.996 -2.097 0.144 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -11.310 -0.259 -1.863 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -12.714 -0.544 -0.828 1.00 0.00 H new ATOM 345 N ALA A 27 -6.166 -2.250 -0.499 1.00 0.00 N ATOM 346 CA ALA A 27 -5.504 -3.167 -1.419 1.00 0.00 C ATOM 347 C ALA A 27 -6.461 -4.256 -1.891 1.00 0.00 C ATOM 348 O ALA A 27 -6.686 -5.245 -1.193 1.00 0.00 O ATOM 349 CB ALA A 27 -4.282 -3.787 -0.758 1.00 0.00 C ATOM 0 H ALA A 27 -6.291 -2.616 0.445 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.183 -2.598 -2.291 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -3.798 -4.469 -1.456 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.583 -3.000 -0.475 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.589 -4.336 0.132 1.00 0.00 H new ATOM 355 N VAL A 28 -7.024 -4.068 -3.081 1.00 0.00 N ATOM 356 CA VAL A 28 -7.957 -5.035 -3.647 1.00 0.00 C ATOM 357 C VAL A 28 -7.221 -6.110 -4.439 1.00 0.00 C ATOM 358 O VAL A 28 -6.294 -5.815 -5.191 1.00 0.00 O ATOM 359 CB VAL A 28 -8.986 -4.350 -4.566 1.00 0.00 C ATOM 360 CG1 VAL A 28 -10.001 -5.360 -5.077 1.00 0.00 C ATOM 361 CG2 VAL A 28 -9.678 -3.210 -3.833 1.00 0.00 C ATOM 0 H VAL A 28 -6.850 -3.255 -3.671 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.480 -5.498 -2.810 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.460 -3.933 -5.425 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -10.720 -4.858 -5.724 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -9.487 -6.139 -5.641 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -10.525 -5.809 -4.233 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -10.402 -2.737 -4.497 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -10.192 -3.601 -2.955 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.936 -2.474 -3.522 1.00 0.00 H new ATOM 371 N ALA A 29 -7.642 -7.358 -4.263 1.00 0.00 N ATOM 372 CA ALA A 29 -7.025 -8.478 -4.964 1.00 0.00 C ATOM 373 C ALA A 29 -7.876 -8.920 -6.149 1.00 0.00 C ATOM 374 O ALA A 29 -8.955 -9.488 -5.975 1.00 0.00 O ATOM 375 CB ALA A 29 -6.804 -9.641 -4.008 1.00 0.00 C ATOM 0 H ALA A 29 -8.407 -7.619 -3.641 1.00 0.00 H new ATOM 0 HA ALA A 29 -6.059 -8.147 -5.347 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.343 -10.470 -4.544 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.149 -9.325 -3.196 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -7.762 -9.962 -3.598 1.00 0.00 H new ATOM 381 N LEU A 30 -7.385 -8.656 -7.355 1.00 0.00 N ATOM 382 CA LEU A 30 -8.101 -9.026 -8.571 1.00 0.00 C ATOM 383 C LEU A 30 -7.914 -10.507 -8.883 1.00 0.00 C ATOM 384 O LEU A 30 -8.885 -11.249 -9.036 1.00 0.00 O ATOM 385 CB LEU A 30 -7.616 -8.179 -9.749 1.00 0.00 C ATOM 386 CG LEU A 30 -7.546 -6.671 -9.508 1.00 0.00 C ATOM 387 CD1 LEU A 30 -6.665 -6.004 -10.553 1.00 0.00 C ATOM 388 CD2 LEU A 30 -8.941 -6.064 -9.518 1.00 0.00 C ATOM 0 H LEU A 30 -6.494 -8.187 -7.517 1.00 0.00 H new ATOM 0 HA LEU A 30 -9.163 -8.839 -8.410 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -6.624 -8.527 -10.037 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.276 -8.361 -10.597 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.104 -6.499 -8.527 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.627 -4.931 -10.366 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.658 -6.418 -10.498 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -7.078 -6.185 -11.546 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -8.872 -4.990 -9.345 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -9.410 -6.246 -10.485 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.542 -6.520 -8.731 1.00 0.00 H new ATOM 400 N THR A 31 -6.658 -10.934 -8.975 1.00 0.00 N ATOM 401 CA THR A 31 -6.343 -12.326 -9.268 1.00 0.00 C ATOM 402 C THR A 31 -5.030 -12.742 -8.613 1.00 0.00 C ATOM 403 O THR A 31 -4.349 -11.926 -7.992 1.00 0.00 O ATOM 404 CB THR A 31 -6.247 -12.573 -10.786 1.00 0.00 C ATOM 405 OG1 THR A 31 -6.411 -13.968 -11.066 1.00 0.00 O ATOM 406 CG2 THR A 31 -4.909 -12.095 -11.329 1.00 0.00 C ATOM 0 H THR A 31 -5.842 -10.335 -8.851 1.00 0.00 H new ATOM 0 HA THR A 31 -7.156 -12.927 -8.860 1.00 0.00 H new ATOM 0 HB THR A 31 -7.041 -12.009 -11.275 1.00 0.00 H new ATOM 0 HG1 THR A 31 -5.544 -14.420 -10.996 1.00 0.00 H new ATOM 0 HG21 THR A 31 -4.865 -12.280 -12.402 1.00 0.00 H new ATOM 0 HG22 THR A 31 -4.800 -11.027 -11.140 1.00 0.00 H new ATOM 0 HG23 THR A 31 -4.102 -12.635 -10.834 1.00 0.00 H new ATOM 414 N HIS A 32 -4.681 -14.017 -8.757 1.00 0.00 N ATOM 415 CA HIS A 32 -3.448 -14.541 -8.181 1.00 0.00 C ATOM 416 C HIS A 32 -2.269 -13.623 -8.491 1.00 0.00 C ATOM 417 O HIS A 32 -1.435 -13.354 -7.627 1.00 0.00 O ATOM 418 CB HIS A 32 -3.168 -15.947 -8.712 1.00 0.00 C ATOM 419 CG HIS A 32 -3.273 -16.055 -10.202 1.00 0.00 C ATOM 420 ND1 HIS A 32 -4.479 -16.106 -10.870 1.00 0.00 N ATOM 421 CD2 HIS A 32 -2.314 -16.121 -11.155 1.00 0.00 C ATOM 422 CE1 HIS A 32 -4.256 -16.201 -12.169 1.00 0.00 C ATOM 423 NE2 HIS A 32 -2.951 -16.211 -12.369 1.00 0.00 N ATOM 0 H HIS A 32 -5.234 -14.705 -9.267 1.00 0.00 H new ATOM 0 HA HIS A 32 -3.574 -14.588 -7.099 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -2.168 -16.251 -8.403 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -3.869 -16.646 -8.255 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -1.247 -16.106 -10.991 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -5.013 -16.260 -12.937 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -2.491 -16.275 -13.277 1.00 0.00 H new ATOM 432 N ASP A 33 -2.207 -13.147 -9.730 1.00 0.00 N ATOM 433 CA ASP A 33 -1.131 -12.259 -10.155 1.00 0.00 C ATOM 434 C ASP A 33 -1.675 -10.881 -10.519 1.00 0.00 C ATOM 435 O ASP A 33 -1.303 -10.307 -11.542 1.00 0.00 O ATOM 436 CB ASP A 33 -0.388 -12.860 -11.349 1.00 0.00 C ATOM 437 CG ASP A 33 -1.139 -12.673 -12.653 1.00 0.00 C ATOM 438 OD1 ASP A 33 -2.385 -12.592 -12.612 1.00 0.00 O ATOM 439 OD2 ASP A 33 -0.482 -12.609 -13.713 1.00 0.00 O ATOM 0 H ASP A 33 -2.889 -13.361 -10.457 1.00 0.00 H new ATOM 0 HA ASP A 33 -0.436 -12.146 -9.323 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.596 -12.398 -11.431 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.227 -13.924 -11.175 1.00 0.00 H new ATOM 444 N ALA A 34 -2.558 -10.358 -9.675 1.00 0.00 N ATOM 445 CA ALA A 34 -3.153 -9.047 -9.908 1.00 0.00 C ATOM 446 C ALA A 34 -3.697 -8.454 -8.613 1.00 0.00 C ATOM 447 O ALA A 34 -4.297 -9.157 -7.800 1.00 0.00 O ATOM 448 CB ALA A 34 -4.257 -9.146 -10.950 1.00 0.00 C ATOM 0 H ALA A 34 -2.877 -10.821 -8.824 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.374 -8.383 -10.282 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.692 -8.160 -11.114 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.841 -9.519 -11.886 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -5.030 -9.830 -10.598 1.00 0.00 H new ATOM 454 N VAL A 35 -3.482 -7.155 -8.426 1.00 0.00 N ATOM 455 CA VAL A 35 -3.951 -6.467 -7.229 1.00 0.00 C ATOM 456 C VAL A 35 -4.195 -4.988 -7.506 1.00 0.00 C ATOM 457 O VAL A 35 -3.261 -4.237 -7.790 1.00 0.00 O ATOM 458 CB VAL A 35 -2.943 -6.602 -6.072 1.00 0.00 C ATOM 459 CG1 VAL A 35 -3.149 -5.493 -5.052 1.00 0.00 C ATOM 460 CG2 VAL A 35 -3.065 -7.970 -5.418 1.00 0.00 C ATOM 0 H VAL A 35 -2.986 -6.558 -9.088 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.890 -6.940 -6.940 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.935 -6.507 -6.477 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.428 -5.605 -4.242 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.007 -4.525 -5.533 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.160 -5.553 -4.649 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.346 -8.049 -4.603 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -4.074 -8.097 -5.026 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.863 -8.746 -6.157 1.00 0.00 H new ATOM 470 N ARG A 36 -5.455 -4.575 -7.421 1.00 0.00 N ATOM 471 CA ARG A 36 -5.822 -3.185 -7.664 1.00 0.00 C ATOM 472 C ARG A 36 -5.848 -2.395 -6.359 1.00 0.00 C ATOM 473 O ARG A 36 -6.835 -2.421 -5.624 1.00 0.00 O ATOM 474 CB ARG A 36 -7.189 -3.108 -8.346 1.00 0.00 C ATOM 475 CG ARG A 36 -7.813 -1.723 -8.304 1.00 0.00 C ATOM 476 CD ARG A 36 -7.076 -0.752 -9.213 1.00 0.00 C ATOM 477 NE ARG A 36 -7.975 0.242 -9.796 1.00 0.00 N ATOM 478 CZ ARG A 36 -8.677 0.037 -10.904 1.00 0.00 C ATOM 479 NH1 ARG A 36 -8.586 -1.118 -11.547 1.00 0.00 N ATOM 480 NH2 ARG A 36 -9.473 0.991 -11.372 1.00 0.00 N ATOM 0 H ARG A 36 -6.239 -5.183 -7.186 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.071 -2.746 -8.321 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -7.085 -3.419 -9.385 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -7.865 -3.817 -7.867 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -8.858 -1.784 -8.607 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.799 -1.347 -7.281 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.295 -0.246 -8.646 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.582 -1.306 -10.011 1.00 0.00 H new ATOM 0 HE ARG A 36 -8.068 1.142 -9.326 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -7.975 -1.853 -11.191 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -9.127 -1.272 -12.398 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -9.545 1.882 -10.880 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -10.012 0.833 -12.223 1.00 0.00 H new ATOM 494 N VAL A 37 -4.755 -1.692 -6.076 1.00 0.00 N ATOM 495 CA VAL A 37 -4.652 -0.894 -4.861 1.00 0.00 C ATOM 496 C VAL A 37 -5.285 0.480 -5.051 1.00 0.00 C ATOM 497 O VAL A 37 -4.759 1.322 -5.778 1.00 0.00 O ATOM 498 CB VAL A 37 -3.185 -0.715 -4.429 1.00 0.00 C ATOM 499 CG1 VAL A 37 -3.100 0.101 -3.149 1.00 0.00 C ATOM 500 CG2 VAL A 37 -2.513 -2.069 -4.253 1.00 0.00 C ATOM 0 H VAL A 37 -3.928 -1.660 -6.673 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.189 -1.434 -4.081 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.658 -0.172 -5.213 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.055 0.217 -2.860 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.542 1.084 -3.314 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.642 -0.411 -2.354 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.477 -1.924 -3.948 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.040 -2.640 -3.489 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.540 -2.614 -5.197 1.00 0.00 H new ATOM 510 N SER A 38 -6.418 0.699 -4.391 1.00 0.00 N ATOM 511 CA SER A 38 -7.126 1.971 -4.490 1.00 0.00 C ATOM 512 C SER A 38 -7.059 2.734 -3.171 1.00 0.00 C ATOM 513 O SER A 38 -7.188 2.149 -2.095 1.00 0.00 O ATOM 514 CB SER A 38 -8.586 1.737 -4.883 1.00 0.00 C ATOM 515 OG SER A 38 -9.325 1.198 -3.800 1.00 0.00 O ATOM 0 H SER A 38 -6.865 0.013 -3.783 1.00 0.00 H new ATOM 0 HA SER A 38 -6.641 2.569 -5.261 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.035 2.677 -5.202 1.00 0.00 H new ATOM 0 HB3 SER A 38 -8.633 1.057 -5.734 1.00 0.00 H new ATOM 0 HG SER A 38 -10.255 1.059 -4.076 1.00 0.00 H new ATOM 521 N TRP A 39 -6.854 4.043 -3.262 1.00 0.00 N ATOM 522 CA TRP A 39 -6.769 4.887 -2.076 1.00 0.00 C ATOM 523 C TRP A 39 -7.550 6.182 -2.272 1.00 0.00 C ATOM 524 O TRP A 39 -8.044 6.460 -3.364 1.00 0.00 O ATOM 525 CB TRP A 39 -5.307 5.202 -1.753 1.00 0.00 C ATOM 526 CG TRP A 39 -4.589 5.898 -2.869 1.00 0.00 C ATOM 527 CD1 TRP A 39 -4.415 7.244 -3.019 1.00 0.00 C ATOM 528 CD2 TRP A 39 -3.950 5.281 -3.992 1.00 0.00 C ATOM 529 NE1 TRP A 39 -3.707 7.502 -4.168 1.00 0.00 N ATOM 530 CE2 TRP A 39 -3.409 6.315 -4.782 1.00 0.00 C ATOM 531 CE3 TRP A 39 -3.781 3.958 -4.407 1.00 0.00 C ATOM 532 CZ2 TRP A 39 -2.712 6.063 -5.961 1.00 0.00 C ATOM 533 CZ3 TRP A 39 -3.090 3.709 -5.577 1.00 0.00 C ATOM 534 CH2 TRP A 39 -2.562 4.757 -6.343 1.00 0.00 C ATOM 0 H TRP A 39 -6.744 4.543 -4.144 1.00 0.00 H new ATOM 0 HA TRP A 39 -7.209 4.343 -1.241 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -5.266 5.825 -0.860 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -4.786 4.274 -1.518 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -4.780 7.996 -2.335 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -3.446 8.427 -4.508 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -4.184 3.144 -3.823 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -2.304 6.869 -6.553 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -2.954 2.690 -5.907 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -2.026 4.530 -7.253 1.00 0.00 H new ATOM 545 N ALA A 40 -7.657 6.971 -1.208 1.00 0.00 N ATOM 546 CA ALA A 40 -8.376 8.237 -1.265 1.00 0.00 C ATOM 547 C ALA A 40 -7.437 9.413 -1.014 1.00 0.00 C ATOM 548 O ALA A 40 -6.299 9.230 -0.582 1.00 0.00 O ATOM 549 CB ALA A 40 -9.514 8.244 -0.256 1.00 0.00 C ATOM 0 H ALA A 40 -7.255 6.755 -0.296 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.793 8.345 -2.266 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -10.042 9.196 -0.310 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -10.205 7.432 -0.482 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.111 8.109 0.748 1.00 0.00 H new ATOM 555 N ASP A 41 -7.922 10.619 -1.287 1.00 0.00 N ATOM 556 CA ASP A 41 -7.126 11.825 -1.090 1.00 0.00 C ATOM 557 C ASP A 41 -7.926 12.889 -0.345 1.00 0.00 C ATOM 558 O ASP A 41 -8.986 13.315 -0.801 1.00 0.00 O ATOM 559 CB ASP A 41 -6.653 12.375 -2.436 1.00 0.00 C ATOM 560 CG ASP A 41 -5.328 13.105 -2.331 1.00 0.00 C ATOM 561 OD1 ASP A 41 -4.459 12.646 -1.561 1.00 0.00 O ATOM 562 OD2 ASP A 41 -5.161 14.135 -3.018 1.00 0.00 O ATOM 0 H ASP A 41 -8.862 10.788 -1.645 1.00 0.00 H new ATOM 0 HA ASP A 41 -6.256 11.562 -0.488 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -6.557 11.554 -3.147 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -7.408 13.054 -2.833 1.00 0.00 H new ATOM 567 N ASN A 42 -7.412 13.312 0.805 1.00 0.00 N ATOM 568 CA ASN A 42 -8.080 14.325 1.615 1.00 0.00 C ATOM 569 C ASN A 42 -7.219 15.579 1.736 1.00 0.00 C ATOM 570 O ASN A 42 -7.167 16.209 2.792 1.00 0.00 O ATOM 571 CB ASN A 42 -8.391 13.771 3.007 1.00 0.00 C ATOM 572 CG ASN A 42 -9.750 13.100 3.071 1.00 0.00 C ATOM 573 OD1 ASN A 42 -10.732 13.610 2.533 1.00 0.00 O ATOM 574 ND2 ASN A 42 -9.811 11.950 3.733 1.00 0.00 N ATOM 0 H ASN A 42 -6.535 12.969 1.197 1.00 0.00 H new ATOM 0 HA ASN A 42 -9.014 14.593 1.120 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -7.621 13.054 3.290 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -8.354 14.582 3.735 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -10.698 11.453 3.811 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -8.971 11.564 4.164 1.00 0.00 H new ATOM 581 N SER A 43 -6.548 15.936 0.646 1.00 0.00 N ATOM 582 CA SER A 43 -5.687 17.113 0.630 1.00 0.00 C ATOM 583 C SER A 43 -6.195 18.143 -0.375 1.00 0.00 C ATOM 584 O SER A 43 -5.420 18.928 -0.922 1.00 0.00 O ATOM 585 CB SER A 43 -4.250 16.716 0.288 1.00 0.00 C ATOM 586 OG SER A 43 -4.178 16.114 -0.993 1.00 0.00 O ATOM 0 H SER A 43 -6.584 15.427 -0.237 1.00 0.00 H new ATOM 0 HA SER A 43 -5.706 17.560 1.624 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.610 17.598 0.315 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.872 16.024 1.040 1.00 0.00 H new ATOM 0 HG SER A 43 -3.249 15.871 -1.188 1.00 0.00 H new ATOM 592 N VAL A 44 -7.503 18.135 -0.612 1.00 0.00 N ATOM 593 CA VAL A 44 -8.116 19.068 -1.550 1.00 0.00 C ATOM 594 C VAL A 44 -9.470 19.549 -1.040 1.00 0.00 C ATOM 595 O VAL A 44 -10.462 18.820 -1.057 1.00 0.00 O ATOM 596 CB VAL A 44 -8.300 18.429 -2.939 1.00 0.00 C ATOM 597 CG1 VAL A 44 -9.011 17.090 -2.821 1.00 0.00 C ATOM 598 CG2 VAL A 44 -9.063 19.368 -3.860 1.00 0.00 C ATOM 0 H VAL A 44 -8.159 17.493 -0.167 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.440 19.919 -1.637 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.315 18.253 -3.372 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -9.132 16.654 -3.813 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -8.420 16.418 -2.198 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -9.991 17.237 -2.367 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -9.184 18.900 -4.837 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -10.044 19.578 -3.434 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -8.509 20.300 -3.970 1.00 0.00 H new ATOM 608 N PRO A 45 -9.515 20.806 -0.576 1.00 0.00 N ATOM 609 CA PRO A 45 -10.742 21.414 -0.053 1.00 0.00 C ATOM 610 C PRO A 45 -11.770 21.678 -1.148 1.00 0.00 C ATOM 611 O PRO A 45 -11.682 21.123 -2.244 1.00 0.00 O ATOM 612 CB PRO A 45 -10.255 22.733 0.552 1.00 0.00 C ATOM 613 CG PRO A 45 -9.007 23.054 -0.194 1.00 0.00 C ATOM 614 CD PRO A 45 -8.371 21.732 -0.525 1.00 0.00 C ATOM 0 HA PRO A 45 -11.247 20.763 0.661 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -10.999 23.521 0.436 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -10.063 22.631 1.620 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -9.228 23.618 -1.100 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -8.339 23.668 0.409 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -7.841 21.768 -1.477 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -7.646 21.434 0.233 1.00 0.00 H new ATOM 622 N LYS A 46 -12.745 22.528 -0.846 1.00 0.00 N ATOM 623 CA LYS A 46 -13.790 22.868 -1.804 1.00 0.00 C ATOM 624 C LYS A 46 -13.258 22.806 -3.233 1.00 0.00 C ATOM 625 O LYS A 46 -12.726 23.787 -3.750 1.00 0.00 O ATOM 626 CB LYS A 46 -14.342 24.265 -1.514 1.00 0.00 C ATOM 627 CG LYS A 46 -15.609 24.591 -2.286 1.00 0.00 C ATOM 628 CD LYS A 46 -16.384 25.723 -1.633 1.00 0.00 C ATOM 629 CE LYS A 46 -17.252 26.459 -2.643 1.00 0.00 C ATOM 630 NZ LYS A 46 -18.538 25.750 -2.889 1.00 0.00 N ATOM 0 H LYS A 46 -12.833 22.995 0.057 1.00 0.00 H new ATOM 0 HA LYS A 46 -14.594 22.139 -1.702 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -14.545 24.352 -0.447 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -13.579 25.005 -1.755 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -15.352 24.867 -3.309 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -16.239 23.704 -2.344 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -17.011 25.324 -0.835 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -15.688 26.423 -1.171 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -17.456 27.467 -2.281 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -16.709 26.562 -3.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -19.101 26.283 -3.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -18.344 24.798 -3.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -19.068 25.674 -1.998 1.00 0.00 H new ATOM 644 N ASN A 47 -13.408 21.647 -3.865 1.00 0.00 N ATOM 645 CA ASN A 47 -12.944 21.458 -5.235 1.00 0.00 C ATOM 646 C ASN A 47 -11.762 22.373 -5.540 1.00 0.00 C ATOM 647 O ASN A 47 -11.722 23.024 -6.583 1.00 0.00 O ATOM 648 CB ASN A 47 -14.080 21.728 -6.223 1.00 0.00 C ATOM 649 CG ASN A 47 -13.641 21.575 -7.666 1.00 0.00 C ATOM 650 OD1 ASN A 47 -13.673 22.531 -8.441 1.00 0.00 O ATOM 651 ND2 ASN A 47 -13.227 20.368 -8.033 1.00 0.00 N ATOM 0 H ASN A 47 -13.847 20.825 -3.451 1.00 0.00 H new ATOM 0 HA ASN A 47 -12.617 20.424 -5.342 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -14.903 21.042 -6.022 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -14.461 22.737 -6.067 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -12.919 20.204 -8.991 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -13.217 19.605 -7.357 1.00 0.00 H new ATOM 658 N GLN A 48 -10.802 22.417 -4.622 1.00 0.00 N ATOM 659 CA GLN A 48 -9.619 23.252 -4.793 1.00 0.00 C ATOM 660 C GLN A 48 -8.460 22.444 -5.366 1.00 0.00 C ATOM 661 O GLN A 48 -7.533 22.070 -4.646 1.00 0.00 O ATOM 662 CB GLN A 48 -9.211 23.874 -3.456 1.00 0.00 C ATOM 663 CG GLN A 48 -8.477 25.198 -3.600 1.00 0.00 C ATOM 664 CD GLN A 48 -9.225 26.188 -4.470 1.00 0.00 C ATOM 665 OE1 GLN A 48 -10.210 26.789 -4.041 1.00 0.00 O ATOM 666 NE2 GLN A 48 -8.761 26.364 -5.702 1.00 0.00 N ATOM 0 H GLN A 48 -10.820 21.884 -3.752 1.00 0.00 H new ATOM 0 HA GLN A 48 -9.865 24.048 -5.496 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -10.103 24.027 -2.848 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -8.575 23.172 -2.917 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -8.322 25.633 -2.612 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -7.491 25.018 -4.027 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -7.941 25.845 -6.017 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -9.224 27.018 -6.333 1.00 0.00 H new ATOM 675 N LYS A 49 -8.518 22.176 -6.666 1.00 0.00 N ATOM 676 CA LYS A 49 -7.473 21.413 -7.338 1.00 0.00 C ATOM 677 C LYS A 49 -6.106 22.057 -7.126 1.00 0.00 C ATOM 678 O LYS A 49 -6.009 23.190 -6.654 1.00 0.00 O ATOM 679 CB LYS A 49 -7.772 21.308 -8.835 1.00 0.00 C ATOM 680 CG LYS A 49 -8.604 20.092 -9.205 1.00 0.00 C ATOM 681 CD LYS A 49 -8.374 19.677 -10.649 1.00 0.00 C ATOM 682 CE LYS A 49 -8.564 18.180 -10.836 1.00 0.00 C ATOM 683 NZ LYS A 49 -7.295 17.429 -10.624 1.00 0.00 N ATOM 0 H LYS A 49 -9.279 22.476 -7.276 1.00 0.00 H new ATOM 0 HA LYS A 49 -7.454 20.412 -6.906 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -8.296 22.208 -9.156 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -6.831 21.274 -9.384 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -8.353 19.263 -8.543 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.660 20.313 -9.053 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -9.064 20.216 -11.298 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -7.366 19.958 -10.953 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -9.320 17.820 -10.138 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -8.938 17.984 -11.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -7.466 16.412 -10.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -6.581 17.754 -11.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -6.951 17.595 -9.657 1.00 0.00 H new ATOM 697 N THR A 50 -5.052 21.329 -7.479 1.00 0.00 N ATOM 698 CA THR A 50 -3.692 21.829 -7.328 1.00 0.00 C ATOM 699 C THR A 50 -3.081 22.179 -8.680 1.00 0.00 C ATOM 700 O THR A 50 -3.010 21.338 -9.576 1.00 0.00 O ATOM 701 CB THR A 50 -2.790 20.800 -6.621 1.00 0.00 C ATOM 702 OG1 THR A 50 -1.461 21.318 -6.494 1.00 0.00 O ATOM 703 CG2 THR A 50 -2.757 19.489 -7.392 1.00 0.00 C ATOM 0 H THR A 50 -5.114 20.390 -7.872 1.00 0.00 H new ATOM 0 HA THR A 50 -3.753 22.729 -6.716 1.00 0.00 H new ATOM 0 HB THR A 50 -3.202 20.610 -5.630 1.00 0.00 H new ATOM 0 HG1 THR A 50 -1.218 21.367 -5.546 1.00 0.00 H new ATOM 0 HG21 THR A 50 -2.114 18.778 -6.873 1.00 0.00 H new ATOM 0 HG22 THR A 50 -3.766 19.082 -7.461 1.00 0.00 H new ATOM 0 HG23 THR A 50 -2.368 19.666 -8.395 1.00 0.00 H new ATOM 711 N SER A 51 -2.640 23.425 -8.821 1.00 0.00 N ATOM 712 CA SER A 51 -2.038 23.887 -10.066 1.00 0.00 C ATOM 713 C SER A 51 -0.770 23.099 -10.381 1.00 0.00 C ATOM 714 O SER A 51 -0.557 22.673 -11.515 1.00 0.00 O ATOM 715 CB SER A 51 -1.716 25.380 -9.979 1.00 0.00 C ATOM 716 OG SER A 51 -0.613 25.614 -9.120 1.00 0.00 O ATOM 0 H SER A 51 -2.688 24.133 -8.088 1.00 0.00 H new ATOM 0 HA SER A 51 -2.756 23.724 -10.870 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.495 25.766 -10.974 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.588 25.923 -9.613 1.00 0.00 H new ATOM 0 HG SER A 51 -0.426 26.575 -9.082 1.00 0.00 H new ATOM 722 N GLU A 52 0.069 22.911 -9.367 1.00 0.00 N ATOM 723 CA GLU A 52 1.317 22.175 -9.535 1.00 0.00 C ATOM 724 C GLU A 52 1.046 20.701 -9.820 1.00 0.00 C ATOM 725 O GLU A 52 0.281 20.050 -9.108 1.00 0.00 O ATOM 726 CB GLU A 52 2.189 22.312 -8.285 1.00 0.00 C ATOM 727 CG GLU A 52 3.679 22.222 -8.569 1.00 0.00 C ATOM 728 CD GLU A 52 4.280 23.557 -8.961 1.00 0.00 C ATOM 729 OE1 GLU A 52 3.603 24.327 -9.673 1.00 0.00 O ATOM 730 OE2 GLU A 52 5.429 23.832 -8.554 1.00 0.00 O ATOM 0 H GLU A 52 -0.093 23.258 -8.421 1.00 0.00 H new ATOM 0 HA GLU A 52 1.847 22.600 -10.387 1.00 0.00 H new ATOM 0 HB2 GLU A 52 1.976 23.268 -7.807 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.915 21.532 -7.574 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.191 21.843 -7.685 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.850 21.502 -9.369 1.00 0.00 H new ATOM 737 N VAL A 53 1.677 20.181 -10.868 1.00 0.00 N ATOM 738 CA VAL A 53 1.505 18.784 -11.248 1.00 0.00 C ATOM 739 C VAL A 53 2.014 17.850 -10.156 1.00 0.00 C ATOM 740 O VAL A 53 3.172 17.930 -9.747 1.00 0.00 O ATOM 741 CB VAL A 53 2.239 18.465 -12.564 1.00 0.00 C ATOM 742 CG1 VAL A 53 1.975 17.029 -12.989 1.00 0.00 C ATOM 743 CG2 VAL A 53 1.822 19.439 -13.656 1.00 0.00 C ATOM 0 H VAL A 53 2.312 20.706 -11.469 1.00 0.00 H new ATOM 0 HA VAL A 53 0.436 18.625 -11.389 1.00 0.00 H new ATOM 0 HB VAL A 53 3.310 18.578 -12.398 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.502 16.823 -13.921 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.329 16.349 -12.214 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.905 16.884 -13.138 1.00 0.00 H new ATOM 0 HG21 VAL A 53 2.350 19.199 -14.579 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.748 19.361 -13.822 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.069 20.456 -13.350 1.00 0.00 H new ATOM 753 N ARG A 54 1.141 16.964 -9.687 1.00 0.00 N ATOM 754 CA ARG A 54 1.501 16.015 -8.641 1.00 0.00 C ATOM 755 C ARG A 54 1.608 14.601 -9.204 1.00 0.00 C ATOM 756 O ARG A 54 1.249 14.350 -10.355 1.00 0.00 O ATOM 757 CB ARG A 54 0.469 16.050 -7.513 1.00 0.00 C ATOM 758 CG ARG A 54 -0.955 15.803 -7.983 1.00 0.00 C ATOM 759 CD ARG A 54 -1.182 14.340 -8.327 1.00 0.00 C ATOM 760 NE ARG A 54 -2.590 13.965 -8.223 1.00 0.00 N ATOM 761 CZ ARG A 54 -3.479 14.171 -9.188 1.00 0.00 C ATOM 762 NH1 ARG A 54 -3.108 14.744 -10.324 1.00 0.00 N ATOM 763 NH2 ARG A 54 -4.742 13.801 -9.018 1.00 0.00 N ATOM 0 H ARG A 54 0.179 16.884 -10.016 1.00 0.00 H new ATOM 0 HA ARG A 54 2.474 16.304 -8.242 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.732 15.299 -6.768 1.00 0.00 H new ATOM 0 HB3 ARG A 54 0.516 17.020 -7.019 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.654 16.108 -7.204 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.163 16.420 -8.857 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.829 14.147 -9.340 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.590 13.714 -7.659 1.00 0.00 H new ATOM 0 HE ARG A 54 -2.908 13.520 -7.362 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -2.138 15.028 -10.459 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -3.793 14.901 -11.063 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -5.031 13.358 -8.146 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -5.424 13.960 -9.760 1.00 0.00 H new ATOM 777 N LEU A 55 2.105 13.680 -8.385 1.00 0.00 N ATOM 778 CA LEU A 55 2.260 12.290 -8.800 1.00 0.00 C ATOM 779 C LEU A 55 2.143 11.349 -7.606 1.00 0.00 C ATOM 780 O LEU A 55 2.584 11.672 -6.503 1.00 0.00 O ATOM 781 CB LEU A 55 3.610 12.092 -9.491 1.00 0.00 C ATOM 782 CG LEU A 55 4.101 10.648 -9.602 1.00 0.00 C ATOM 783 CD1 LEU A 55 4.573 10.139 -8.248 1.00 0.00 C ATOM 784 CD2 LEU A 55 3.003 9.752 -10.157 1.00 0.00 C ATOM 0 H LEU A 55 2.407 13.871 -7.430 1.00 0.00 H new ATOM 0 HA LEU A 55 1.461 12.055 -9.503 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.547 12.511 -10.495 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.360 12.669 -8.951 1.00 0.00 H new ATOM 0 HG LEU A 55 4.945 10.624 -10.291 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.919 9.110 -8.346 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.391 10.764 -7.889 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.748 10.178 -7.537 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.370 8.728 -10.229 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.139 9.782 -9.493 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.712 10.104 -11.147 1.00 0.00 H new ATOM 796 N TYR A 56 1.549 10.183 -7.834 1.00 0.00 N ATOM 797 CA TYR A 56 1.374 9.194 -6.777 1.00 0.00 C ATOM 798 C TYR A 56 2.147 7.918 -7.092 1.00 0.00 C ATOM 799 O TYR A 56 1.941 7.292 -8.133 1.00 0.00 O ATOM 800 CB TYR A 56 -0.110 8.873 -6.591 1.00 0.00 C ATOM 801 CG TYR A 56 -0.867 9.931 -5.822 1.00 0.00 C ATOM 802 CD1 TYR A 56 -0.878 11.253 -6.249 1.00 0.00 C ATOM 803 CD2 TYR A 56 -1.570 9.610 -4.668 1.00 0.00 C ATOM 804 CE1 TYR A 56 -1.568 12.224 -5.549 1.00 0.00 C ATOM 805 CE2 TYR A 56 -2.264 10.574 -3.962 1.00 0.00 C ATOM 806 CZ TYR A 56 -2.260 11.880 -4.407 1.00 0.00 C ATOM 807 OH TYR A 56 -2.949 12.843 -3.706 1.00 0.00 O ATOM 0 H TYR A 56 1.180 9.899 -8.742 1.00 0.00 H new ATOM 0 HA TYR A 56 1.766 9.615 -5.851 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -0.571 8.748 -7.571 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -0.204 7.920 -6.070 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -0.338 11.526 -7.143 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -1.574 8.589 -4.316 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -1.565 13.247 -5.895 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -2.806 10.307 -3.067 1.00 0.00 H new ATOM 0 HH TYR A 56 -3.024 12.573 -2.767 1.00 0.00 H new ATOM 817 N THR A 57 3.040 7.534 -6.184 1.00 0.00 N ATOM 818 CA THR A 57 3.845 6.333 -6.363 1.00 0.00 C ATOM 819 C THR A 57 3.301 5.177 -5.532 1.00 0.00 C ATOM 820 O THR A 57 2.623 5.388 -4.526 1.00 0.00 O ATOM 821 CB THR A 57 5.316 6.580 -5.978 1.00 0.00 C ATOM 822 OG1 THR A 57 5.809 7.745 -6.650 1.00 0.00 O ATOM 823 CG2 THR A 57 6.178 5.379 -6.336 1.00 0.00 C ATOM 0 H THR A 57 3.223 8.039 -5.317 1.00 0.00 H new ATOM 0 HA THR A 57 3.793 6.073 -7.420 1.00 0.00 H new ATOM 0 HB THR A 57 5.366 6.734 -4.900 1.00 0.00 H new ATOM 0 HG1 THR A 57 5.882 8.485 -6.011 1.00 0.00 H new ATOM 0 HG21 THR A 57 7.212 5.577 -6.055 1.00 0.00 H new ATOM 0 HG22 THR A 57 5.818 4.500 -5.801 1.00 0.00 H new ATOM 0 HG23 THR A 57 6.122 5.198 -7.409 1.00 0.00 H new ATOM 831 N VAL A 58 3.604 3.955 -5.956 1.00 0.00 N ATOM 832 CA VAL A 58 3.147 2.765 -5.249 1.00 0.00 C ATOM 833 C VAL A 58 4.236 1.699 -5.205 1.00 0.00 C ATOM 834 O VAL A 58 4.741 1.269 -6.242 1.00 0.00 O ATOM 835 CB VAL A 58 1.888 2.169 -5.908 1.00 0.00 C ATOM 836 CG1 VAL A 58 1.375 0.984 -5.104 1.00 0.00 C ATOM 837 CG2 VAL A 58 0.810 3.232 -6.054 1.00 0.00 C ATOM 0 H VAL A 58 4.164 3.763 -6.786 1.00 0.00 H new ATOM 0 HA VAL A 58 2.905 3.075 -4.233 1.00 0.00 H new ATOM 0 HB VAL A 58 2.153 1.814 -6.904 1.00 0.00 H new ATOM 0 HG11 VAL A 58 0.486 0.576 -5.584 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.146 0.215 -5.056 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.125 1.310 -4.095 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.072 2.794 -6.521 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.545 3.619 -5.070 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.183 4.046 -6.676 1.00 0.00 H new ATOM 847 N ARG A 59 4.595 1.277 -3.996 1.00 0.00 N ATOM 848 CA ARG A 59 5.625 0.262 -3.816 1.00 0.00 C ATOM 849 C ARG A 59 5.039 -1.005 -3.201 1.00 0.00 C ATOM 850 O ARG A 59 3.987 -0.967 -2.563 1.00 0.00 O ATOM 851 CB ARG A 59 6.750 0.799 -2.929 1.00 0.00 C ATOM 852 CG ARG A 59 6.400 0.824 -1.450 1.00 0.00 C ATOM 853 CD ARG A 59 7.444 1.582 -0.644 1.00 0.00 C ATOM 854 NE ARG A 59 6.902 2.089 0.614 1.00 0.00 N ATOM 855 CZ ARG A 59 6.593 1.313 1.647 1.00 0.00 C ATOM 856 NH1 ARG A 59 6.772 0.001 1.572 1.00 0.00 N ATOM 857 NH2 ARG A 59 6.104 1.849 2.758 1.00 0.00 N ATOM 0 H ARG A 59 4.187 1.623 -3.127 1.00 0.00 H new ATOM 0 HA ARG A 59 6.031 0.014 -4.797 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.639 0.185 -3.073 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.004 1.809 -3.251 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.424 1.290 -1.314 1.00 0.00 H new ATOM 0 HG3 ARG A 59 6.321 -0.197 -1.076 1.00 0.00 H new ATOM 0 HD2 ARG A 59 8.289 0.925 -0.436 1.00 0.00 H new ATOM 0 HD3 ARG A 59 7.825 2.414 -1.236 1.00 0.00 H new ATOM 0 HE ARG A 59 6.753 3.094 0.704 1.00 0.00 H new ATOM 0 HH11 ARG A 59 7.148 -0.415 0.720 1.00 0.00 H new ATOM 0 HH12 ARG A 59 6.534 -0.592 2.367 1.00 0.00 H new ATOM 0 HH21 ARG A 59 5.965 2.858 2.819 1.00 0.00 H new ATOM 0 HH22 ARG A 59 5.867 1.252 3.551 1.00 0.00 H new ATOM 871 N TRP A 60 5.726 -2.124 -3.397 1.00 0.00 N ATOM 872 CA TRP A 60 5.273 -3.403 -2.862 1.00 0.00 C ATOM 873 C TRP A 60 6.373 -4.454 -2.958 1.00 0.00 C ATOM 874 O TRP A 60 7.154 -4.463 -3.910 1.00 0.00 O ATOM 875 CB TRP A 60 4.027 -3.880 -3.612 1.00 0.00 C ATOM 876 CG TRP A 60 4.292 -4.219 -5.048 1.00 0.00 C ATOM 877 CD1 TRP A 60 4.622 -5.444 -5.553 1.00 0.00 C ATOM 878 CD2 TRP A 60 4.251 -3.321 -6.162 1.00 0.00 C ATOM 879 NE1 TRP A 60 4.788 -5.361 -6.915 1.00 0.00 N ATOM 880 CE2 TRP A 60 4.565 -4.070 -7.313 1.00 0.00 C ATOM 881 CE3 TRP A 60 3.977 -1.957 -6.299 1.00 0.00 C ATOM 882 CZ2 TRP A 60 4.614 -3.499 -8.581 1.00 0.00 C ATOM 883 CZ3 TRP A 60 4.026 -1.392 -7.559 1.00 0.00 C ATOM 884 CH2 TRP A 60 4.341 -2.162 -8.687 1.00 0.00 C ATOM 0 H TRP A 60 6.599 -2.172 -3.922 1.00 0.00 H new ATOM 0 HA TRP A 60 5.024 -3.261 -1.810 1.00 0.00 H new ATOM 0 HB2 TRP A 60 3.622 -4.757 -3.108 1.00 0.00 H new ATOM 0 HB3 TRP A 60 3.263 -3.104 -3.564 1.00 0.00 H new ATOM 0 HD1 TRP A 60 4.736 -6.345 -4.969 1.00 0.00 H new ATOM 0 HE1 TRP A 60 5.037 -6.136 -7.530 1.00 0.00 H new ATOM 0 HE3 TRP A 60 3.732 -1.356 -5.436 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 4.859 -4.090 -9.451 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 3.818 -0.339 -7.677 1.00 0.00 H new ATOM 0 HH2 TRP A 60 4.369 -1.691 -9.659 1.00 0.00 H new ATOM 895 N ARG A 61 6.429 -5.339 -1.968 1.00 0.00 N ATOM 896 CA ARG A 61 7.435 -6.393 -1.941 1.00 0.00 C ATOM 897 C ARG A 61 7.032 -7.504 -0.976 1.00 0.00 C ATOM 898 O ARG A 61 6.278 -7.277 -0.029 1.00 0.00 O ATOM 899 CB ARG A 61 8.794 -5.821 -1.538 1.00 0.00 C ATOM 900 CG ARG A 61 8.802 -5.184 -0.157 1.00 0.00 C ATOM 901 CD ARG A 61 9.250 -6.172 0.909 1.00 0.00 C ATOM 902 NE ARG A 61 8.601 -5.923 2.193 1.00 0.00 N ATOM 903 CZ ARG A 61 9.077 -6.359 3.354 1.00 0.00 C ATOM 904 NH1 ARG A 61 10.200 -7.063 3.391 1.00 0.00 N ATOM 905 NH2 ARG A 61 8.429 -6.092 4.481 1.00 0.00 N ATOM 0 H ARG A 61 5.789 -5.347 -1.174 1.00 0.00 H new ATOM 0 HA ARG A 61 7.510 -6.815 -2.943 1.00 0.00 H new ATOM 0 HB2 ARG A 61 9.537 -6.618 -1.565 1.00 0.00 H new ATOM 0 HB3 ARG A 61 9.098 -5.077 -2.274 1.00 0.00 H new ATOM 0 HG2 ARG A 61 9.467 -4.321 -0.157 1.00 0.00 H new ATOM 0 HG3 ARG A 61 7.804 -4.817 0.082 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.026 -7.187 0.580 1.00 0.00 H new ATOM 0 HD3 ARG A 61 10.331 -6.108 1.031 1.00 0.00 H new ATOM 0 HE ARG A 61 7.735 -5.385 2.199 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.700 -7.271 2.527 1.00 0.00 H new ATOM 0 HH12 ARG A 61 10.564 -7.397 4.284 1.00 0.00 H new ATOM 0 HH21 ARG A 61 7.564 -5.551 4.456 1.00 0.00 H new ATOM 0 HH22 ARG A 61 8.796 -6.427 5.372 1.00 0.00 H new ATOM 919 N THR A 62 7.540 -8.708 -1.221 1.00 0.00 N ATOM 920 CA THR A 62 7.232 -9.855 -0.376 1.00 0.00 C ATOM 921 C THR A 62 7.220 -9.464 1.097 1.00 0.00 C ATOM 922 O THR A 62 8.186 -8.896 1.607 1.00 0.00 O ATOM 923 CB THR A 62 8.247 -10.995 -0.584 1.00 0.00 C ATOM 924 OG1 THR A 62 9.575 -10.463 -0.647 1.00 0.00 O ATOM 925 CG2 THR A 62 7.943 -11.763 -1.861 1.00 0.00 C ATOM 0 H THR A 62 8.167 -8.914 -1.999 1.00 0.00 H new ATOM 0 HA THR A 62 6.241 -10.204 -0.665 1.00 0.00 H new ATOM 0 HB THR A 62 8.170 -11.679 0.261 1.00 0.00 H new ATOM 0 HG1 THR A 62 10.214 -11.194 -0.778 1.00 0.00 H new ATOM 0 HG21 THR A 62 8.673 -12.563 -1.987 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.942 -12.191 -1.799 1.00 0.00 H new ATOM 0 HG23 THR A 62 7.996 -11.086 -2.714 1.00 0.00 H new ATOM 933 N SER A 63 6.120 -9.772 1.777 1.00 0.00 N ATOM 934 CA SER A 63 5.981 -9.450 3.193 1.00 0.00 C ATOM 935 C SER A 63 6.597 -10.542 4.062 1.00 0.00 C ATOM 936 O SER A 63 6.263 -11.720 3.928 1.00 0.00 O ATOM 937 CB SER A 63 4.506 -9.266 3.553 1.00 0.00 C ATOM 938 OG SER A 63 4.105 -7.917 3.390 1.00 0.00 O ATOM 0 H SER A 63 5.312 -10.244 1.371 1.00 0.00 H new ATOM 0 HA SER A 63 6.513 -8.517 3.382 1.00 0.00 H new ATOM 0 HB2 SER A 63 3.892 -9.910 2.923 1.00 0.00 H new ATOM 0 HB3 SER A 63 4.339 -9.576 4.585 1.00 0.00 H new ATOM 0 HG SER A 63 3.158 -7.827 3.625 1.00 0.00 H new ATOM 944 N PHE A 64 7.498 -10.143 4.953 1.00 0.00 N ATOM 945 CA PHE A 64 8.162 -11.087 5.844 1.00 0.00 C ATOM 946 C PHE A 64 9.062 -12.037 5.058 1.00 0.00 C ATOM 947 O PHE A 64 9.072 -13.243 5.301 1.00 0.00 O ATOM 948 CB PHE A 64 7.127 -11.887 6.637 1.00 0.00 C ATOM 949 CG PHE A 64 6.111 -11.028 7.335 1.00 0.00 C ATOM 950 CD1 PHE A 64 6.412 -10.420 8.543 1.00 0.00 C ATOM 951 CD2 PHE A 64 4.857 -10.828 6.782 1.00 0.00 C ATOM 952 CE1 PHE A 64 5.479 -9.629 9.187 1.00 0.00 C ATOM 953 CE2 PHE A 64 3.920 -10.038 7.421 1.00 0.00 C ATOM 954 CZ PHE A 64 4.232 -9.437 8.625 1.00 0.00 C ATOM 0 H PHE A 64 7.785 -9.172 5.077 1.00 0.00 H new ATOM 0 HA PHE A 64 8.781 -10.519 6.538 1.00 0.00 H new ATOM 0 HB2 PHE A 64 6.611 -12.569 5.961 1.00 0.00 H new ATOM 0 HB3 PHE A 64 7.642 -12.500 7.377 1.00 0.00 H new ATOM 0 HD1 PHE A 64 7.386 -10.566 8.986 1.00 0.00 H new ATOM 0 HD2 PHE A 64 4.608 -11.295 5.840 1.00 0.00 H new ATOM 0 HE1 PHE A 64 5.725 -9.161 10.129 1.00 0.00 H new ATOM 0 HE2 PHE A 64 2.945 -9.891 6.980 1.00 0.00 H new ATOM 0 HZ PHE A 64 3.502 -8.818 9.126 1.00 0.00 H new ATOM 964 N SER A 65 9.816 -11.482 4.114 1.00 0.00 N ATOM 965 CA SER A 65 10.715 -12.279 3.288 1.00 0.00 C ATOM 966 C SER A 65 12.123 -11.691 3.296 1.00 0.00 C ATOM 967 O SER A 65 12.312 -10.508 3.575 1.00 0.00 O ATOM 968 CB SER A 65 10.191 -12.356 1.853 1.00 0.00 C ATOM 969 OG SER A 65 9.233 -13.391 1.716 1.00 0.00 O ATOM 0 H SER A 65 9.822 -10.484 3.903 1.00 0.00 H new ATOM 0 HA SER A 65 10.757 -13.285 3.706 1.00 0.00 H new ATOM 0 HB2 SER A 65 9.743 -11.402 1.574 1.00 0.00 H new ATOM 0 HB3 SER A 65 11.021 -12.531 1.168 1.00 0.00 H new ATOM 0 HG SER A 65 9.148 -13.635 0.771 1.00 0.00 H new ATOM 975 N ALA A 66 13.109 -12.528 2.988 1.00 0.00 N ATOM 976 CA ALA A 66 14.499 -12.092 2.957 1.00 0.00 C ATOM 977 C ALA A 66 14.904 -11.647 1.556 1.00 0.00 C ATOM 978 O ALA A 66 14.211 -11.931 0.579 1.00 0.00 O ATOM 979 CB ALA A 66 15.413 -13.208 3.443 1.00 0.00 C ATOM 0 H ALA A 66 12.970 -13.512 2.757 1.00 0.00 H new ATOM 0 HA ALA A 66 14.601 -11.237 3.625 1.00 0.00 H new ATOM 0 HB1 ALA A 66 16.448 -12.869 3.415 1.00 0.00 H new ATOM 0 HB2 ALA A 66 15.147 -13.477 4.465 1.00 0.00 H new ATOM 0 HB3 ALA A 66 15.299 -14.079 2.798 1.00 0.00 H new ATOM 985 N SER A 67 16.030 -10.946 1.465 1.00 0.00 N ATOM 986 CA SER A 67 16.525 -10.458 0.183 1.00 0.00 C ATOM 987 C SER A 67 15.368 -10.084 -0.739 1.00 0.00 C ATOM 988 O SER A 67 15.315 -10.513 -1.891 1.00 0.00 O ATOM 989 CB SER A 67 17.404 -11.516 -0.485 1.00 0.00 C ATOM 990 OG SER A 67 18.342 -10.919 -1.364 1.00 0.00 O ATOM 0 H SER A 67 16.616 -10.703 2.264 1.00 0.00 H new ATOM 0 HA SER A 67 17.122 -9.565 0.368 1.00 0.00 H new ATOM 0 HB2 SER A 67 17.930 -12.090 0.277 1.00 0.00 H new ATOM 0 HB3 SER A 67 16.778 -12.217 -1.037 1.00 0.00 H new ATOM 0 HG SER A 67 18.893 -11.616 -1.777 1.00 0.00 H new ATOM 996 N ALA A 68 14.444 -9.282 -0.222 1.00 0.00 N ATOM 997 CA ALA A 68 13.289 -8.848 -0.998 1.00 0.00 C ATOM 998 C ALA A 68 13.489 -7.437 -1.539 1.00 0.00 C ATOM 999 O ALA A 68 13.830 -6.517 -0.795 1.00 0.00 O ATOM 1000 CB ALA A 68 12.027 -8.916 -0.150 1.00 0.00 C ATOM 0 H ALA A 68 14.472 -8.919 0.731 1.00 0.00 H new ATOM 0 HA ALA A 68 13.180 -9.522 -1.847 1.00 0.00 H new ATOM 0 HB1 ALA A 68 11.172 -8.589 -0.742 1.00 0.00 H new ATOM 0 HB2 ALA A 68 11.867 -9.942 0.183 1.00 0.00 H new ATOM 0 HB3 ALA A 68 12.137 -8.266 0.718 1.00 0.00 H new ATOM 1006 N LYS A 69 13.277 -7.271 -2.841 1.00 0.00 N ATOM 1007 CA LYS A 69 13.434 -5.971 -3.483 1.00 0.00 C ATOM 1008 C LYS A 69 12.136 -5.173 -3.418 1.00 0.00 C ATOM 1009 O LYS A 69 11.054 -5.707 -3.663 1.00 0.00 O ATOM 1010 CB LYS A 69 13.864 -6.148 -4.941 1.00 0.00 C ATOM 1011 CG LYS A 69 15.267 -6.708 -5.097 1.00 0.00 C ATOM 1012 CD LYS A 69 16.324 -5.657 -4.801 1.00 0.00 C ATOM 1013 CE LYS A 69 17.652 -6.293 -4.422 1.00 0.00 C ATOM 1014 NZ LYS A 69 18.519 -5.353 -3.658 1.00 0.00 N ATOM 0 H LYS A 69 12.996 -8.021 -3.472 1.00 0.00 H new ATOM 0 HA LYS A 69 14.207 -5.419 -2.947 1.00 0.00 H new ATOM 0 HB2 LYS A 69 13.159 -6.812 -5.441 1.00 0.00 H new ATOM 0 HB3 LYS A 69 13.808 -5.184 -5.447 1.00 0.00 H new ATOM 0 HG2 LYS A 69 15.398 -7.556 -4.425 1.00 0.00 H new ATOM 0 HG3 LYS A 69 15.399 -7.082 -6.112 1.00 0.00 H new ATOM 0 HD2 LYS A 69 16.461 -5.021 -5.675 1.00 0.00 H new ATOM 0 HD3 LYS A 69 15.982 -5.015 -3.989 1.00 0.00 H new ATOM 0 HE2 LYS A 69 17.470 -7.186 -3.824 1.00 0.00 H new ATOM 0 HE3 LYS A 69 18.172 -6.614 -5.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 19.415 -5.824 -3.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 18.714 -4.512 -4.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 18.034 -5.066 -2.784 1.00 0.00 H new ATOM 1028 N TYR A 70 12.251 -3.891 -3.089 1.00 0.00 N ATOM 1029 CA TYR A 70 11.087 -3.019 -2.992 1.00 0.00 C ATOM 1030 C TYR A 70 10.749 -2.408 -4.348 1.00 0.00 C ATOM 1031 O TYR A 70 11.449 -1.519 -4.835 1.00 0.00 O ATOM 1032 CB TYR A 70 11.338 -1.910 -1.969 1.00 0.00 C ATOM 1033 CG TYR A 70 10.836 -2.241 -0.581 1.00 0.00 C ATOM 1034 CD1 TYR A 70 9.514 -2.006 -0.225 1.00 0.00 C ATOM 1035 CD2 TYR A 70 11.684 -2.788 0.374 1.00 0.00 C ATOM 1036 CE1 TYR A 70 9.051 -2.307 1.041 1.00 0.00 C ATOM 1037 CE2 TYR A 70 11.230 -3.093 1.642 1.00 0.00 C ATOM 1038 CZ TYR A 70 9.912 -2.850 1.971 1.00 0.00 C ATOM 1039 OH TYR A 70 9.456 -3.151 3.234 1.00 0.00 O ATOM 0 H TYR A 70 13.139 -3.433 -2.885 1.00 0.00 H new ATOM 0 HA TYR A 70 10.240 -3.622 -2.664 1.00 0.00 H new ATOM 0 HB2 TYR A 70 12.408 -1.707 -1.921 1.00 0.00 H new ATOM 0 HB3 TYR A 70 10.855 -0.995 -2.312 1.00 0.00 H new ATOM 0 HD1 TYR A 70 8.837 -1.581 -0.951 1.00 0.00 H new ATOM 0 HD2 TYR A 70 12.716 -2.978 0.120 1.00 0.00 H new ATOM 0 HE1 TYR A 70 8.020 -2.118 1.301 1.00 0.00 H new ATOM 0 HE2 TYR A 70 11.902 -3.519 2.372 1.00 0.00 H new ATOM 0 HH TYR A 70 10.189 -3.527 3.765 1.00 0.00 H new ATOM 1049 N LYS A 71 9.670 -2.890 -4.955 1.00 0.00 N ATOM 1050 CA LYS A 71 9.235 -2.392 -6.255 1.00 0.00 C ATOM 1051 C LYS A 71 8.524 -1.050 -6.113 1.00 0.00 C ATOM 1052 O LYS A 71 8.073 -0.688 -5.026 1.00 0.00 O ATOM 1053 CB LYS A 71 8.306 -3.405 -6.927 1.00 0.00 C ATOM 1054 CG LYS A 71 8.295 -3.308 -8.443 1.00 0.00 C ATOM 1055 CD LYS A 71 7.628 -4.519 -9.074 1.00 0.00 C ATOM 1056 CE LYS A 71 7.419 -4.323 -10.568 1.00 0.00 C ATOM 1057 NZ LYS A 71 7.187 -5.617 -11.269 1.00 0.00 N ATOM 0 H LYS A 71 9.080 -3.626 -4.567 1.00 0.00 H new ATOM 0 HA LYS A 71 10.119 -2.251 -6.877 1.00 0.00 H new ATOM 0 HB2 LYS A 71 8.609 -4.411 -6.638 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.292 -3.258 -6.555 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.770 -2.403 -8.747 1.00 0.00 H new ATOM 0 HG3 LYS A 71 9.318 -3.222 -8.811 1.00 0.00 H new ATOM 0 HD2 LYS A 71 8.242 -5.404 -8.904 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.667 -4.700 -8.591 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.567 -3.663 -10.732 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.292 -3.830 -10.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.049 -5.442 -12.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 8.010 -6.238 -11.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 6.339 -6.076 -10.879 1.00 0.00 H new ATOM 1071 N SER A 72 8.426 -0.318 -7.218 1.00 0.00 N ATOM 1072 CA SER A 72 7.772 0.985 -7.216 1.00 0.00 C ATOM 1073 C SER A 72 7.389 1.403 -8.632 1.00 0.00 C ATOM 1074 O SER A 72 8.125 1.148 -9.585 1.00 0.00 O ATOM 1075 CB SER A 72 8.688 2.039 -6.591 1.00 0.00 C ATOM 1076 OG SER A 72 8.771 1.874 -5.186 1.00 0.00 O ATOM 0 H SER A 72 8.791 -0.605 -8.126 1.00 0.00 H new ATOM 0 HA SER A 72 6.862 0.906 -6.621 1.00 0.00 H new ATOM 0 HB2 SER A 72 9.684 1.965 -7.028 1.00 0.00 H new ATOM 0 HB3 SER A 72 8.311 3.036 -6.822 1.00 0.00 H new ATOM 0 HG SER A 72 8.399 1.002 -4.936 1.00 0.00 H new ATOM 1082 N GLU A 73 6.233 2.047 -8.761 1.00 0.00 N ATOM 1083 CA GLU A 73 5.753 2.500 -10.061 1.00 0.00 C ATOM 1084 C GLU A 73 5.148 3.897 -9.961 1.00 0.00 C ATOM 1085 O GLU A 73 4.572 4.264 -8.937 1.00 0.00 O ATOM 1086 CB GLU A 73 4.715 1.521 -10.615 1.00 0.00 C ATOM 1087 CG GLU A 73 5.314 0.418 -11.471 1.00 0.00 C ATOM 1088 CD GLU A 73 6.378 0.930 -12.421 1.00 0.00 C ATOM 1089 OE1 GLU A 73 6.222 2.059 -12.934 1.00 0.00 O ATOM 1090 OE2 GLU A 73 7.367 0.204 -12.653 1.00 0.00 O ATOM 0 H GLU A 73 5.612 2.266 -7.982 1.00 0.00 H new ATOM 0 HA GLU A 73 6.604 2.540 -10.741 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.173 1.070 -9.784 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.986 2.074 -11.208 1.00 0.00 H new ATOM 0 HG2 GLU A 73 5.747 -0.345 -10.824 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.521 -0.063 -12.044 1.00 0.00 H new ATOM 1097 N ASP A 74 5.284 4.672 -11.031 1.00 0.00 N ATOM 1098 CA ASP A 74 4.751 6.029 -11.065 1.00 0.00 C ATOM 1099 C ASP A 74 3.422 6.072 -11.813 1.00 0.00 C ATOM 1100 O ASP A 74 3.355 5.759 -13.002 1.00 0.00 O ATOM 1101 CB ASP A 74 5.753 6.977 -11.726 1.00 0.00 C ATOM 1102 CG ASP A 74 5.855 6.761 -13.223 1.00 0.00 C ATOM 1103 OD1 ASP A 74 5.034 7.342 -13.963 1.00 0.00 O ATOM 1104 OD2 ASP A 74 6.754 6.010 -13.654 1.00 0.00 O ATOM 0 H ASP A 74 5.759 4.384 -11.887 1.00 0.00 H new ATOM 0 HA ASP A 74 4.580 6.352 -10.038 1.00 0.00 H new ATOM 0 HB2 ASP A 74 5.457 8.008 -11.530 1.00 0.00 H new ATOM 0 HB3 ASP A 74 6.735 6.836 -11.274 1.00 0.00 H new ATOM 1109 N THR A 75 2.364 6.462 -11.109 1.00 0.00 N ATOM 1110 CA THR A 75 1.037 6.545 -11.705 1.00 0.00 C ATOM 1111 C THR A 75 0.341 7.845 -11.319 1.00 0.00 C ATOM 1112 O THR A 75 0.349 8.244 -10.154 1.00 0.00 O ATOM 1113 CB THR A 75 0.155 5.356 -11.277 1.00 0.00 C ATOM 1114 OG1 THR A 75 -1.058 5.348 -12.038 1.00 0.00 O ATOM 1115 CG2 THR A 75 -0.172 5.432 -9.793 1.00 0.00 C ATOM 0 H THR A 75 2.401 6.726 -10.124 1.00 0.00 H new ATOM 0 HA THR A 75 1.173 6.517 -12.786 1.00 0.00 H new ATOM 0 HB THR A 75 0.708 4.435 -11.465 1.00 0.00 H new ATOM 0 HG1 THR A 75 -1.817 5.528 -11.445 1.00 0.00 H new ATOM 0 HG21 THR A 75 -0.795 4.583 -9.514 1.00 0.00 H new ATOM 0 HG22 THR A 75 0.752 5.409 -9.215 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.707 6.359 -9.585 1.00 0.00 H new ATOM 1123 N THR A 76 -0.264 8.502 -12.304 1.00 0.00 N ATOM 1124 CA THR A 76 -0.965 9.757 -12.068 1.00 0.00 C ATOM 1125 C THR A 76 -2.428 9.512 -11.715 1.00 0.00 C ATOM 1126 O THR A 76 -3.295 10.330 -12.022 1.00 0.00 O ATOM 1127 CB THR A 76 -0.893 10.681 -13.298 1.00 0.00 C ATOM 1128 OG1 THR A 76 -1.500 10.042 -14.427 1.00 0.00 O ATOM 1129 CG2 THR A 76 0.549 11.036 -13.625 1.00 0.00 C ATOM 0 H THR A 76 -0.282 8.185 -13.273 1.00 0.00 H new ATOM 0 HA THR A 76 -0.468 10.243 -11.228 1.00 0.00 H new ATOM 0 HB THR A 76 -1.433 11.599 -13.067 1.00 0.00 H new ATOM 0 HG1 THR A 76 -1.452 10.637 -15.205 1.00 0.00 H new ATOM 0 HG21 THR A 76 0.574 11.689 -14.497 1.00 0.00 H new ATOM 0 HG22 THR A 76 0.999 11.548 -12.775 1.00 0.00 H new ATOM 0 HG23 THR A 76 1.109 10.125 -13.838 1.00 0.00 H new ATOM 1137 N SER A 77 -2.694 8.382 -11.067 1.00 0.00 N ATOM 1138 CA SER A 77 -4.053 8.029 -10.675 1.00 0.00 C ATOM 1139 C SER A 77 -4.116 7.674 -9.193 1.00 0.00 C ATOM 1140 O SER A 77 -3.087 7.563 -8.525 1.00 0.00 O ATOM 1141 CB SER A 77 -4.559 6.854 -11.514 1.00 0.00 C ATOM 1142 OG SER A 77 -3.667 5.755 -11.444 1.00 0.00 O ATOM 0 H SER A 77 -1.987 7.696 -10.803 1.00 0.00 H new ATOM 0 HA SER A 77 -4.692 8.894 -10.851 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.544 6.549 -11.162 1.00 0.00 H new ATOM 0 HB3 SER A 77 -4.674 7.167 -12.552 1.00 0.00 H new ATOM 0 HG SER A 77 -4.041 5.068 -10.854 1.00 0.00 H new ATOM 1148 N LEU A 78 -5.330 7.497 -8.684 1.00 0.00 N ATOM 1149 CA LEU A 78 -5.530 7.154 -7.280 1.00 0.00 C ATOM 1150 C LEU A 78 -5.667 5.645 -7.102 1.00 0.00 C ATOM 1151 O LEU A 78 -6.235 5.176 -6.116 1.00 0.00 O ATOM 1152 CB LEU A 78 -6.773 7.859 -6.734 1.00 0.00 C ATOM 1153 CG LEU A 78 -6.675 9.378 -6.592 1.00 0.00 C ATOM 1154 CD1 LEU A 78 -8.037 9.973 -6.273 1.00 0.00 C ATOM 1155 CD2 LEU A 78 -5.664 9.749 -5.516 1.00 0.00 C ATOM 0 H LEU A 78 -6.192 7.585 -9.223 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.656 7.489 -6.722 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.614 7.629 -7.389 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.005 7.437 -5.756 1.00 0.00 H new ATOM 0 HG LEU A 78 -6.334 9.791 -7.541 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.948 11.055 -6.176 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -8.734 9.737 -7.077 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -8.407 9.554 -5.337 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -5.607 10.834 -5.429 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -5.976 9.324 -4.562 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.684 9.355 -5.786 1.00 0.00 H new ATOM 1167 N SER A 79 -5.141 4.891 -8.062 1.00 0.00 N ATOM 1168 CA SER A 79 -5.206 3.435 -8.012 1.00 0.00 C ATOM 1169 C SER A 79 -4.169 2.813 -8.942 1.00 0.00 C ATOM 1170 O SER A 79 -3.917 3.319 -10.036 1.00 0.00 O ATOM 1171 CB SER A 79 -6.606 2.953 -8.395 1.00 0.00 C ATOM 1172 OG SER A 79 -6.941 3.353 -9.712 1.00 0.00 O ATOM 0 H SER A 79 -4.665 5.264 -8.884 1.00 0.00 H new ATOM 0 HA SER A 79 -4.988 3.121 -6.991 1.00 0.00 H new ATOM 0 HB2 SER A 79 -6.653 1.867 -8.318 1.00 0.00 H new ATOM 0 HB3 SER A 79 -7.337 3.354 -7.693 1.00 0.00 H new ATOM 0 HG SER A 79 -7.840 3.031 -9.933 1.00 0.00 H new ATOM 1178 N TYR A 80 -3.572 1.712 -8.500 1.00 0.00 N ATOM 1179 CA TYR A 80 -2.560 1.021 -9.290 1.00 0.00 C ATOM 1180 C TYR A 80 -2.834 -0.480 -9.333 1.00 0.00 C ATOM 1181 O TYR A 80 -3.235 -1.079 -8.335 1.00 0.00 O ATOM 1182 CB TYR A 80 -1.167 1.280 -8.714 1.00 0.00 C ATOM 1183 CG TYR A 80 -0.066 0.533 -9.432 1.00 0.00 C ATOM 1184 CD1 TYR A 80 0.246 -0.778 -9.094 1.00 0.00 C ATOM 1185 CD2 TYR A 80 0.661 1.138 -10.449 1.00 0.00 C ATOM 1186 CE1 TYR A 80 1.251 -1.464 -9.747 1.00 0.00 C ATOM 1187 CE2 TYR A 80 1.668 0.459 -11.109 1.00 0.00 C ATOM 1188 CZ TYR A 80 1.959 -0.841 -10.754 1.00 0.00 C ATOM 1189 OH TYR A 80 2.961 -1.522 -11.408 1.00 0.00 O ATOM 0 H TYR A 80 -3.771 1.279 -7.598 1.00 0.00 H new ATOM 0 HA TYR A 80 -2.602 1.410 -10.307 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -0.958 2.349 -8.758 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -1.160 0.997 -7.661 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -0.307 -1.269 -8.307 1.00 0.00 H new ATOM 0 HD2 TYR A 80 0.436 2.156 -10.729 1.00 0.00 H new ATOM 0 HE1 TYR A 80 1.481 -2.482 -9.471 1.00 0.00 H new ATOM 0 HE2 TYR A 80 2.224 0.944 -11.898 1.00 0.00 H new ATOM 0 HH TYR A 80 3.213 -2.313 -10.887 1.00 0.00 H new ATOM 1199 N THR A 81 -2.614 -1.081 -10.498 1.00 0.00 N ATOM 1200 CA THR A 81 -2.837 -2.511 -10.674 1.00 0.00 C ATOM 1201 C THR A 81 -1.517 -3.272 -10.714 1.00 0.00 C ATOM 1202 O THR A 81 -0.772 -3.192 -11.691 1.00 0.00 O ATOM 1203 CB THR A 81 -3.624 -2.802 -11.965 1.00 0.00 C ATOM 1204 OG1 THR A 81 -4.675 -1.844 -12.125 1.00 0.00 O ATOM 1205 CG2 THR A 81 -4.210 -4.206 -11.937 1.00 0.00 C ATOM 0 H THR A 81 -2.282 -0.600 -11.334 1.00 0.00 H new ATOM 0 HA THR A 81 -3.421 -2.848 -9.818 1.00 0.00 H new ATOM 0 HB THR A 81 -2.936 -2.729 -12.807 1.00 0.00 H new ATOM 0 HG1 THR A 81 -5.169 -2.035 -12.949 1.00 0.00 H new ATOM 0 HG21 THR A 81 -4.761 -4.389 -12.859 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.405 -4.935 -11.845 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.884 -4.302 -11.086 1.00 0.00 H new ATOM 1213 N ALA A 82 -1.232 -4.011 -9.647 1.00 0.00 N ATOM 1214 CA ALA A 82 -0.002 -4.789 -9.562 1.00 0.00 C ATOM 1215 C ALA A 82 -0.171 -6.156 -10.217 1.00 0.00 C ATOM 1216 O ALA A 82 -0.716 -7.082 -9.615 1.00 0.00 O ATOM 1217 CB ALA A 82 0.423 -4.947 -8.110 1.00 0.00 C ATOM 0 H ALA A 82 -1.836 -4.087 -8.829 1.00 0.00 H new ATOM 0 HA ALA A 82 0.777 -4.250 -10.101 1.00 0.00 H new ATOM 0 HB1 ALA A 82 1.343 -5.530 -8.061 1.00 0.00 H new ATOM 0 HB2 ALA A 82 0.593 -3.964 -7.672 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -0.362 -5.461 -7.555 1.00 0.00 H new ATOM 1223 N THR A 83 0.299 -6.276 -11.455 1.00 0.00 N ATOM 1224 CA THR A 83 0.198 -7.528 -12.193 1.00 0.00 C ATOM 1225 C THR A 83 1.517 -8.292 -12.162 1.00 0.00 C ATOM 1226 O THR A 83 2.583 -7.702 -11.988 1.00 0.00 O ATOM 1227 CB THR A 83 -0.208 -7.286 -13.659 1.00 0.00 C ATOM 1228 OG1 THR A 83 0.820 -6.556 -14.338 1.00 0.00 O ATOM 1229 CG2 THR A 83 -1.518 -6.518 -13.737 1.00 0.00 C ATOM 0 H THR A 83 0.754 -5.520 -11.967 1.00 0.00 H new ATOM 0 HA THR A 83 -0.574 -8.121 -11.704 1.00 0.00 H new ATOM 0 HB THR A 83 -0.343 -8.255 -14.140 1.00 0.00 H new ATOM 0 HG1 THR A 83 0.555 -6.408 -15.270 1.00 0.00 H new ATOM 0 HG21 THR A 83 -1.785 -6.359 -14.782 1.00 0.00 H new ATOM 0 HG22 THR A 83 -2.305 -7.090 -13.245 1.00 0.00 H new ATOM 0 HG23 THR A 83 -1.405 -5.554 -13.240 1.00 0.00 H new ATOM 1237 N GLY A 84 1.438 -9.608 -12.334 1.00 0.00 N ATOM 1238 CA GLY A 84 2.634 -10.431 -12.323 1.00 0.00 C ATOM 1239 C GLY A 84 3.213 -10.593 -10.932 1.00 0.00 C ATOM 1240 O GLY A 84 4.397 -10.336 -10.710 1.00 0.00 O ATOM 0 H GLY A 84 0.568 -10.119 -12.481 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.399 -11.414 -12.732 1.00 0.00 H new ATOM 0 HA3 GLY A 84 3.384 -9.985 -12.976 1.00 0.00 H new ATOM 1244 N LEU A 85 2.378 -11.020 -9.991 1.00 0.00 N ATOM 1245 CA LEU A 85 2.813 -11.215 -8.613 1.00 0.00 C ATOM 1246 C LEU A 85 2.844 -12.698 -8.256 1.00 0.00 C ATOM 1247 O LEU A 85 2.548 -13.555 -9.090 1.00 0.00 O ATOM 1248 CB LEU A 85 1.886 -10.468 -7.653 1.00 0.00 C ATOM 1249 CG LEU A 85 1.284 -9.165 -8.180 1.00 0.00 C ATOM 1250 CD1 LEU A 85 -0.023 -8.854 -7.469 1.00 0.00 C ATOM 1251 CD2 LEU A 85 2.270 -8.017 -8.014 1.00 0.00 C ATOM 0 H LEU A 85 1.396 -11.238 -10.158 1.00 0.00 H new ATOM 0 HA LEU A 85 3.823 -10.815 -8.518 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.070 -11.135 -7.374 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.442 -10.246 -6.742 1.00 0.00 H new ATOM 0 HG LEU A 85 1.075 -9.288 -9.243 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.436 -7.923 -7.858 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.732 -9.665 -7.639 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.160 -8.751 -6.399 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.825 -7.097 -8.394 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.511 -7.894 -6.958 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.181 -8.236 -8.571 1.00 0.00 H new ATOM 1263 N LYS A 86 3.203 -12.995 -7.012 1.00 0.00 N ATOM 1264 CA LYS A 86 3.269 -14.374 -6.542 1.00 0.00 C ATOM 1265 C LYS A 86 1.913 -14.836 -6.019 1.00 0.00 C ATOM 1266 O LYS A 86 1.283 -14.177 -5.191 1.00 0.00 O ATOM 1267 CB LYS A 86 4.325 -14.509 -5.443 1.00 0.00 C ATOM 1268 CG LYS A 86 4.662 -15.950 -5.098 1.00 0.00 C ATOM 1269 CD LYS A 86 5.424 -16.046 -3.787 1.00 0.00 C ATOM 1270 CE LYS A 86 6.909 -15.779 -3.984 1.00 0.00 C ATOM 1271 NZ LYS A 86 7.216 -14.322 -3.973 1.00 0.00 N ATOM 0 H LYS A 86 3.453 -12.298 -6.310 1.00 0.00 H new ATOM 0 HA LYS A 86 3.548 -15.006 -7.385 1.00 0.00 H new ATOM 0 HB2 LYS A 86 5.234 -13.998 -5.759 1.00 0.00 H new ATOM 0 HB3 LYS A 86 3.970 -14.003 -4.545 1.00 0.00 H new ATOM 0 HG2 LYS A 86 3.744 -16.533 -5.030 1.00 0.00 H new ATOM 0 HG3 LYS A 86 5.258 -16.387 -5.899 1.00 0.00 H new ATOM 0 HD2 LYS A 86 5.016 -15.329 -3.074 1.00 0.00 H new ATOM 0 HD3 LYS A 86 5.286 -17.038 -3.356 1.00 0.00 H new ATOM 0 HE2 LYS A 86 7.475 -16.276 -3.196 1.00 0.00 H new ATOM 0 HE3 LYS A 86 7.233 -16.212 -4.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 7.502 -14.020 -4.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 6.371 -13.791 -3.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 7.990 -14.135 -3.304 1.00 0.00 H new ATOM 1285 N PRO A 87 1.452 -15.996 -6.510 1.00 0.00 N ATOM 1286 CA PRO A 87 0.167 -16.573 -6.104 1.00 0.00 C ATOM 1287 C PRO A 87 0.187 -17.077 -4.665 1.00 0.00 C ATOM 1288 O PRO A 87 1.184 -17.634 -4.206 1.00 0.00 O ATOM 1289 CB PRO A 87 -0.021 -17.740 -7.077 1.00 0.00 C ATOM 1290 CG PRO A 87 1.360 -18.113 -7.492 1.00 0.00 C ATOM 1291 CD PRO A 87 2.150 -16.834 -7.499 1.00 0.00 C ATOM 0 HA PRO A 87 -0.638 -15.839 -6.137 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -0.530 -18.577 -6.598 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -0.627 -17.447 -7.935 1.00 0.00 H new ATOM 0 HG2 PRO A 87 1.793 -18.836 -6.801 1.00 0.00 H new ATOM 0 HG3 PRO A 87 1.359 -18.577 -8.479 1.00 0.00 H new ATOM 0 HD2 PRO A 87 3.190 -17.003 -7.220 1.00 0.00 H new ATOM 0 HD3 PRO A 87 2.156 -16.371 -8.486 1.00 0.00 H new ATOM 1299 N ASN A 88 -0.921 -16.879 -3.958 1.00 0.00 N ATOM 1300 CA ASN A 88 -1.030 -17.314 -2.570 1.00 0.00 C ATOM 1301 C ASN A 88 0.023 -16.631 -1.702 1.00 0.00 C ATOM 1302 O ASN A 88 0.549 -17.226 -0.760 1.00 0.00 O ATOM 1303 CB ASN A 88 -0.877 -18.834 -2.477 1.00 0.00 C ATOM 1304 CG ASN A 88 -1.647 -19.421 -1.310 1.00 0.00 C ATOM 1305 OD1 ASN A 88 -2.932 -19.683 -1.521 1.00 0.00 O flip ATOM 1306 ND2 ASN A 88 -1.093 -19.638 -0.232 1.00 0.00 N flip ATOM 0 H ASN A 88 -1.756 -16.420 -4.323 1.00 0.00 H new ATOM 0 HA ASN A 88 -2.017 -17.032 -2.203 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -1.225 -19.289 -3.404 1.00 0.00 H new ATOM 0 HB3 ASN A 88 0.179 -19.085 -2.375 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -0.103 -19.421 -0.114 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -1.624 -20.035 0.543 1.00 0.00 H new ATOM 1313 N THR A 89 0.326 -15.378 -2.024 1.00 0.00 N ATOM 1314 CA THR A 89 1.315 -14.614 -1.274 1.00 0.00 C ATOM 1315 C THR A 89 0.861 -13.173 -1.075 1.00 0.00 C ATOM 1316 O THR A 89 0.390 -12.525 -2.009 1.00 0.00 O ATOM 1317 CB THR A 89 2.682 -14.615 -1.985 1.00 0.00 C ATOM 1318 OG1 THR A 89 2.917 -15.891 -2.592 1.00 0.00 O ATOM 1319 CG2 THR A 89 3.802 -14.301 -1.004 1.00 0.00 C ATOM 0 H THR A 89 -0.099 -14.870 -2.800 1.00 0.00 H new ATOM 0 HA THR A 89 1.418 -15.098 -0.303 1.00 0.00 H new ATOM 0 HB THR A 89 2.667 -13.844 -2.755 1.00 0.00 H new ATOM 0 HG1 THR A 89 3.376 -16.477 -1.954 1.00 0.00 H new ATOM 0 HG21 THR A 89 4.757 -14.307 -1.529 1.00 0.00 H new ATOM 0 HG22 THR A 89 3.636 -13.317 -0.565 1.00 0.00 H new ATOM 0 HG23 THR A 89 3.816 -15.053 -0.215 1.00 0.00 H new ATOM 1327 N MET A 90 1.005 -12.676 0.150 1.00 0.00 N ATOM 1328 CA MET A 90 0.611 -11.309 0.471 1.00 0.00 C ATOM 1329 C MET A 90 1.833 -10.405 0.594 1.00 0.00 C ATOM 1330 O MET A 90 2.919 -10.860 0.955 1.00 0.00 O ATOM 1331 CB MET A 90 -0.193 -11.280 1.772 1.00 0.00 C ATOM 1332 CG MET A 90 -0.783 -9.916 2.092 1.00 0.00 C ATOM 1333 SD MET A 90 -1.439 -9.819 3.768 1.00 0.00 S ATOM 1334 CE MET A 90 -0.060 -10.465 4.710 1.00 0.00 C ATOM 0 H MET A 90 1.391 -13.199 0.936 1.00 0.00 H new ATOM 0 HA MET A 90 -0.013 -10.937 -0.342 1.00 0.00 H new ATOM 0 HB2 MET A 90 -1.000 -12.010 1.707 1.00 0.00 H new ATOM 0 HB3 MET A 90 0.451 -11.590 2.595 1.00 0.00 H new ATOM 0 HG2 MET A 90 -0.016 -9.153 1.962 1.00 0.00 H new ATOM 0 HG3 MET A 90 -1.579 -9.693 1.381 1.00 0.00 H new ATOM 0 HE1 MET A 90 -0.092 -10.065 5.723 1.00 0.00 H new ATOM 0 HE2 MET A 90 -0.122 -11.553 4.747 1.00 0.00 H new ATOM 0 HE3 MET A 90 0.875 -10.171 4.234 1.00 0.00 H new ATOM 1344 N TYR A 91 1.649 -9.125 0.293 1.00 0.00 N ATOM 1345 CA TYR A 91 2.738 -8.158 0.367 1.00 0.00 C ATOM 1346 C TYR A 91 2.264 -6.851 0.994 1.00 0.00 C ATOM 1347 O TYR A 91 1.094 -6.708 1.348 1.00 0.00 O ATOM 1348 CB TYR A 91 3.307 -7.891 -1.027 1.00 0.00 C ATOM 1349 CG TYR A 91 3.121 -9.043 -1.988 1.00 0.00 C ATOM 1350 CD1 TYR A 91 3.645 -10.299 -1.708 1.00 0.00 C ATOM 1351 CD2 TYR A 91 2.421 -8.875 -3.177 1.00 0.00 C ATOM 1352 CE1 TYR A 91 3.477 -11.354 -2.584 1.00 0.00 C ATOM 1353 CE2 TYR A 91 2.247 -9.925 -4.057 1.00 0.00 C ATOM 1354 CZ TYR A 91 2.777 -11.163 -3.757 1.00 0.00 C ATOM 1355 OH TYR A 91 2.608 -12.211 -4.632 1.00 0.00 O ATOM 0 H TYR A 91 0.756 -8.732 -0.005 1.00 0.00 H new ATOM 0 HA TYR A 91 3.521 -8.579 0.997 1.00 0.00 H new ATOM 0 HB2 TYR A 91 2.830 -7.003 -1.441 1.00 0.00 H new ATOM 0 HB3 TYR A 91 4.371 -7.670 -0.940 1.00 0.00 H new ATOM 0 HD1 TYR A 91 4.193 -10.453 -0.790 1.00 0.00 H new ATOM 0 HD2 TYR A 91 2.006 -7.907 -3.417 1.00 0.00 H new ATOM 0 HE1 TYR A 91 3.892 -12.324 -2.351 1.00 0.00 H new ATOM 0 HE2 TYR A 91 1.699 -9.778 -4.976 1.00 0.00 H new ATOM 0 HH TYR A 91 1.721 -12.606 -4.502 1.00 0.00 H new ATOM 1365 N GLU A 92 3.182 -5.899 1.128 1.00 0.00 N ATOM 1366 CA GLU A 92 2.858 -4.602 1.712 1.00 0.00 C ATOM 1367 C GLU A 92 2.669 -3.548 0.626 1.00 0.00 C ATOM 1368 O GLU A 92 3.547 -3.339 -0.212 1.00 0.00 O ATOM 1369 CB GLU A 92 3.961 -4.164 2.678 1.00 0.00 C ATOM 1370 CG GLU A 92 4.151 -2.657 2.742 1.00 0.00 C ATOM 1371 CD GLU A 92 4.811 -2.206 4.030 1.00 0.00 C ATOM 1372 OE1 GLU A 92 4.265 -2.507 5.113 1.00 0.00 O ATOM 1373 OE2 GLU A 92 5.872 -1.553 3.957 1.00 0.00 O ATOM 0 H GLU A 92 4.155 -6.001 0.840 1.00 0.00 H new ATOM 0 HA GLU A 92 1.922 -4.703 2.262 1.00 0.00 H new ATOM 0 HB2 GLU A 92 3.727 -4.535 3.676 1.00 0.00 H new ATOM 0 HB3 GLU A 92 4.901 -4.628 2.378 1.00 0.00 H new ATOM 0 HG2 GLU A 92 4.757 -2.335 1.895 1.00 0.00 H new ATOM 0 HG3 GLU A 92 3.182 -2.168 2.644 1.00 0.00 H new ATOM 1380 N PHE A 93 1.517 -2.886 0.647 1.00 0.00 N ATOM 1381 CA PHE A 93 1.211 -1.853 -0.337 1.00 0.00 C ATOM 1382 C PHE A 93 1.052 -0.492 0.335 1.00 0.00 C ATOM 1383 O PHE A 93 0.550 -0.395 1.454 1.00 0.00 O ATOM 1384 CB PHE A 93 -0.066 -2.210 -1.101 1.00 0.00 C ATOM 1385 CG PHE A 93 0.089 -3.397 -2.007 1.00 0.00 C ATOM 1386 CD1 PHE A 93 0.140 -4.681 -1.487 1.00 0.00 C ATOM 1387 CD2 PHE A 93 0.184 -3.231 -3.379 1.00 0.00 C ATOM 1388 CE1 PHE A 93 0.284 -5.775 -2.319 1.00 0.00 C ATOM 1389 CE2 PHE A 93 0.327 -4.321 -4.216 1.00 0.00 C ATOM 1390 CZ PHE A 93 0.377 -5.595 -3.685 1.00 0.00 C ATOM 0 H PHE A 93 0.780 -3.046 1.334 1.00 0.00 H new ATOM 0 HA PHE A 93 2.043 -1.797 -1.039 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -0.863 -2.411 -0.386 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -0.378 -1.350 -1.693 1.00 0.00 H new ATOM 0 HD1 PHE A 93 0.066 -4.828 -0.420 1.00 0.00 H new ATOM 0 HD2 PHE A 93 0.146 -2.237 -3.800 1.00 0.00 H new ATOM 0 HE1 PHE A 93 0.324 -6.770 -1.901 1.00 0.00 H new ATOM 0 HE2 PHE A 93 0.400 -4.177 -5.284 1.00 0.00 H new ATOM 0 HZ PHE A 93 0.489 -6.449 -4.337 1.00 0.00 H new ATOM 1400 N SER A 94 1.484 0.557 -0.358 1.00 0.00 N ATOM 1401 CA SER A 94 1.395 1.912 0.172 1.00 0.00 C ATOM 1402 C SER A 94 1.327 2.934 -0.959 1.00 0.00 C ATOM 1403 O SER A 94 1.515 2.597 -2.128 1.00 0.00 O ATOM 1404 CB SER A 94 2.595 2.210 1.073 1.00 0.00 C ATOM 1405 OG SER A 94 3.791 2.293 0.318 1.00 0.00 O ATOM 0 H SER A 94 1.899 0.494 -1.288 1.00 0.00 H new ATOM 0 HA SER A 94 0.481 1.986 0.761 1.00 0.00 H new ATOM 0 HB2 SER A 94 2.431 3.147 1.604 1.00 0.00 H new ATOM 0 HB3 SER A 94 2.691 1.429 1.827 1.00 0.00 H new ATOM 0 HG SER A 94 4.189 3.182 0.432 1.00 0.00 H new ATOM 1411 N VAL A 95 1.057 4.186 -0.602 1.00 0.00 N ATOM 1412 CA VAL A 95 0.964 5.258 -1.585 1.00 0.00 C ATOM 1413 C VAL A 95 1.550 6.556 -1.039 1.00 0.00 C ATOM 1414 O VAL A 95 1.528 6.799 0.167 1.00 0.00 O ATOM 1415 CB VAL A 95 -0.495 5.506 -2.010 1.00 0.00 C ATOM 1416 CG1 VAL A 95 -0.560 6.557 -3.108 1.00 0.00 C ATOM 1417 CG2 VAL A 95 -1.145 4.208 -2.464 1.00 0.00 C ATOM 0 H VAL A 95 0.899 4.482 0.361 1.00 0.00 H new ATOM 0 HA VAL A 95 1.539 4.940 -2.455 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.048 5.881 -1.148 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.599 6.719 -3.396 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -0.135 7.492 -2.743 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.007 6.214 -3.974 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.176 4.402 -2.761 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.593 3.802 -3.312 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.132 3.489 -1.645 1.00 0.00 H new ATOM 1427 N MET A 96 2.074 7.385 -1.936 1.00 0.00 N ATOM 1428 CA MET A 96 2.665 8.660 -1.544 1.00 0.00 C ATOM 1429 C MET A 96 2.433 9.719 -2.616 1.00 0.00 C ATOM 1430 O MET A 96 1.756 9.469 -3.614 1.00 0.00 O ATOM 1431 CB MET A 96 4.164 8.494 -1.289 1.00 0.00 C ATOM 1432 CG MET A 96 4.909 7.849 -2.446 1.00 0.00 C ATOM 1433 SD MET A 96 5.523 9.056 -3.637 1.00 0.00 S ATOM 1434 CE MET A 96 6.777 9.885 -2.663 1.00 0.00 C ATOM 0 H MET A 96 2.102 7.197 -2.938 1.00 0.00 H new ATOM 0 HA MET A 96 2.182 8.989 -0.624 1.00 0.00 H new ATOM 0 HB2 MET A 96 4.600 9.472 -1.087 1.00 0.00 H new ATOM 0 HB3 MET A 96 4.307 7.890 -0.393 1.00 0.00 H new ATOM 0 HG2 MET A 96 5.747 7.271 -2.056 1.00 0.00 H new ATOM 0 HG3 MET A 96 4.247 7.148 -2.954 1.00 0.00 H new ATOM 0 HE1 MET A 96 6.573 10.955 -2.642 1.00 0.00 H new ATOM 0 HE2 MET A 96 6.766 9.493 -1.646 1.00 0.00 H new ATOM 0 HE3 MET A 96 7.757 9.711 -3.108 1.00 0.00 H new ATOM 1444 N VAL A 97 2.999 10.903 -2.405 1.00 0.00 N ATOM 1445 CA VAL A 97 2.855 12.000 -3.354 1.00 0.00 C ATOM 1446 C VAL A 97 4.141 12.812 -3.455 1.00 0.00 C ATOM 1447 O VAL A 97 4.816 13.056 -2.454 1.00 0.00 O ATOM 1448 CB VAL A 97 1.699 12.937 -2.957 1.00 0.00 C ATOM 1449 CG1 VAL A 97 1.952 13.546 -1.586 1.00 0.00 C ATOM 1450 CG2 VAL A 97 1.510 14.023 -4.005 1.00 0.00 C ATOM 0 H VAL A 97 3.562 11.127 -1.584 1.00 0.00 H new ATOM 0 HA VAL A 97 2.634 11.553 -4.323 1.00 0.00 H new ATOM 0 HB VAL A 97 0.781 12.351 -2.904 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.125 14.205 -1.322 1.00 0.00 H new ATOM 0 HG12 VAL A 97 2.033 12.751 -0.844 1.00 0.00 H new ATOM 0 HG13 VAL A 97 2.879 14.118 -1.608 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.689 14.676 -3.708 1.00 0.00 H new ATOM 0 HG22 VAL A 97 2.426 14.608 -4.092 1.00 0.00 H new ATOM 0 HG23 VAL A 97 1.280 13.564 -4.967 1.00 0.00 H new ATOM 1460 N THR A 98 4.477 13.230 -4.672 1.00 0.00 N ATOM 1461 CA THR A 98 5.683 14.014 -4.905 1.00 0.00 C ATOM 1462 C THR A 98 5.345 15.383 -5.486 1.00 0.00 C ATOM 1463 O THR A 98 5.187 15.533 -6.697 1.00 0.00 O ATOM 1464 CB THR A 98 6.649 13.288 -5.860 1.00 0.00 C ATOM 1465 OG1 THR A 98 6.927 11.972 -5.369 1.00 0.00 O ATOM 1466 CG2 THR A 98 7.949 14.065 -6.007 1.00 0.00 C ATOM 0 H THR A 98 3.930 13.038 -5.511 1.00 0.00 H new ATOM 0 HA THR A 98 6.168 14.143 -3.938 1.00 0.00 H new ATOM 0 HB THR A 98 6.173 13.217 -6.838 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.540 11.517 -5.983 1.00 0.00 H new ATOM 0 HG21 THR A 98 8.616 13.533 -6.686 1.00 0.00 H new ATOM 0 HG22 THR A 98 7.737 15.056 -6.408 1.00 0.00 H new ATOM 0 HG23 THR A 98 8.427 14.163 -5.032 1.00 0.00 H new ATOM 1474 N LYS A 99 5.236 16.380 -4.614 1.00 0.00 N ATOM 1475 CA LYS A 99 4.919 17.738 -5.040 1.00 0.00 C ATOM 1476 C LYS A 99 5.956 18.727 -4.519 1.00 0.00 C ATOM 1477 O LYS A 99 6.453 18.589 -3.402 1.00 0.00 O ATOM 1478 CB LYS A 99 3.526 18.136 -4.547 1.00 0.00 C ATOM 1479 CG LYS A 99 2.912 19.287 -5.326 1.00 0.00 C ATOM 1480 CD LYS A 99 1.680 19.838 -4.627 1.00 0.00 C ATOM 1481 CE LYS A 99 0.424 19.085 -5.037 1.00 0.00 C ATOM 1482 NZ LYS A 99 -0.631 19.155 -3.988 1.00 0.00 N ATOM 0 H LYS A 99 5.363 16.273 -3.608 1.00 0.00 H new ATOM 0 HA LYS A 99 4.934 17.764 -6.130 1.00 0.00 H new ATOM 0 HB2 LYS A 99 2.866 17.271 -4.612 1.00 0.00 H new ATOM 0 HB3 LYS A 99 3.587 18.412 -3.494 1.00 0.00 H new ATOM 0 HG2 LYS A 99 3.649 20.081 -5.446 1.00 0.00 H new ATOM 0 HG3 LYS A 99 2.643 18.948 -6.326 1.00 0.00 H new ATOM 0 HD2 LYS A 99 1.811 19.768 -3.547 1.00 0.00 H new ATOM 0 HD3 LYS A 99 1.566 20.895 -4.867 1.00 0.00 H new ATOM 0 HE2 LYS A 99 0.039 19.501 -5.968 1.00 0.00 H new ATOM 0 HE3 LYS A 99 0.673 18.042 -5.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -1.471 18.630 -4.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -0.272 18.735 -3.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -0.887 20.149 -3.819 1.00 0.00 H new ATOM 1496 N ASN A 100 6.277 19.726 -5.335 1.00 0.00 N ATOM 1497 CA ASN A 100 7.255 20.739 -4.956 1.00 0.00 C ATOM 1498 C ASN A 100 8.673 20.183 -5.032 1.00 0.00 C ATOM 1499 O ASN A 100 9.469 20.356 -4.109 1.00 0.00 O ATOM 1500 CB ASN A 100 6.970 21.248 -3.541 1.00 0.00 C ATOM 1501 CG ASN A 100 7.429 22.679 -3.338 1.00 0.00 C ATOM 1502 OD1 ASN A 100 6.474 23.592 -3.194 1.00 0.00 O flip ATOM 1503 ND2 ASN A 100 8.627 22.961 -3.311 1.00 0.00 N flip ATOM 0 H ASN A 100 5.874 19.855 -6.263 1.00 0.00 H new ATOM 0 HA ASN A 100 7.172 21.569 -5.658 1.00 0.00 H new ATOM 0 HB2 ASN A 100 5.900 21.181 -3.342 1.00 0.00 H new ATOM 0 HB3 ASN A 100 7.470 20.603 -2.818 1.00 0.00 H new ATOM 0 HD21 ASN A 100 9.326 22.227 -3.426 1.00 0.00 H new ATOM 0 HD22 ASN A 100 8.920 23.928 -3.174 1.00 0.00 H new ATOM 1510 N ARG A 101 8.982 19.514 -6.138 1.00 0.00 N ATOM 1511 CA ARG A 101 10.304 18.932 -6.335 1.00 0.00 C ATOM 1512 C ARG A 101 10.754 18.172 -5.091 1.00 0.00 C ATOM 1513 O ARG A 101 11.935 18.176 -4.743 1.00 0.00 O ATOM 1514 CB ARG A 101 11.320 20.023 -6.676 1.00 0.00 C ATOM 1515 CG ARG A 101 11.667 20.920 -5.499 1.00 0.00 C ATOM 1516 CD ARG A 101 13.067 21.499 -5.634 1.00 0.00 C ATOM 1517 NE ARG A 101 14.076 20.640 -5.021 1.00 0.00 N ATOM 1518 CZ ARG A 101 15.356 20.639 -5.378 1.00 0.00 C ATOM 1519 NH1 ARG A 101 15.780 21.448 -6.339 1.00 0.00 N ATOM 1520 NH2 ARG A 101 16.214 19.828 -4.773 1.00 0.00 N ATOM 0 H ARG A 101 8.335 19.362 -6.911 1.00 0.00 H new ATOM 0 HA ARG A 101 10.244 18.230 -7.166 1.00 0.00 H new ATOM 0 HB2 ARG A 101 12.232 19.555 -7.047 1.00 0.00 H new ATOM 0 HB3 ARG A 101 10.924 20.636 -7.485 1.00 0.00 H new ATOM 0 HG2 ARG A 101 10.942 21.731 -5.432 1.00 0.00 H new ATOM 0 HG3 ARG A 101 11.595 20.350 -4.572 1.00 0.00 H new ATOM 0 HD2 ARG A 101 13.302 21.638 -6.689 1.00 0.00 H new ATOM 0 HD3 ARG A 101 13.098 22.484 -5.168 1.00 0.00 H new ATOM 0 HE ARG A 101 13.782 20.006 -4.278 1.00 0.00 H new ATOM 0 HH11 ARG A 101 15.123 22.073 -6.806 1.00 0.00 H new ATOM 0 HH12 ARG A 101 16.763 21.445 -6.611 1.00 0.00 H new ATOM 0 HH21 ARG A 101 15.891 19.204 -4.033 1.00 0.00 H new ATOM 0 HH22 ARG A 101 17.196 19.828 -5.048 1.00 0.00 H new ATOM 1534 N ARG A 102 9.805 17.524 -4.424 1.00 0.00 N ATOM 1535 CA ARG A 102 10.104 16.762 -3.217 1.00 0.00 C ATOM 1536 C ARG A 102 9.112 15.616 -3.038 1.00 0.00 C ATOM 1537 O ARG A 102 7.934 15.744 -3.370 1.00 0.00 O ATOM 1538 CB ARG A 102 10.070 17.675 -1.990 1.00 0.00 C ATOM 1539 CG ARG A 102 8.665 17.996 -1.508 1.00 0.00 C ATOM 1540 CD ARG A 102 8.670 18.501 -0.074 1.00 0.00 C ATOM 1541 NE ARG A 102 8.809 19.953 -0.005 1.00 0.00 N ATOM 1542 CZ ARG A 102 7.790 20.796 -0.134 1.00 0.00 C ATOM 1543 NH1 ARG A 102 6.564 20.332 -0.337 1.00 0.00 N ATOM 1544 NH2 ARG A 102 7.996 22.104 -0.060 1.00 0.00 N ATOM 0 H ARG A 102 8.823 17.511 -4.699 1.00 0.00 H new ATOM 0 HA ARG A 102 11.104 16.342 -3.322 1.00 0.00 H new ATOM 0 HB2 ARG A 102 10.623 17.201 -1.179 1.00 0.00 H new ATOM 0 HB3 ARG A 102 10.585 18.606 -2.226 1.00 0.00 H new ATOM 0 HG2 ARG A 102 8.219 18.749 -2.158 1.00 0.00 H new ATOM 0 HG3 ARG A 102 8.042 17.104 -1.579 1.00 0.00 H new ATOM 0 HD2 ARG A 102 7.745 18.202 0.419 1.00 0.00 H new ATOM 0 HD3 ARG A 102 9.488 18.032 0.472 1.00 0.00 H new ATOM 0 HE ARG A 102 9.739 20.341 0.151 1.00 0.00 H new ATOM 0 HH11 ARG A 102 6.402 19.327 -0.394 1.00 0.00 H new ATOM 0 HH12 ARG A 102 5.783 20.981 -0.436 1.00 0.00 H new ATOM 0 HH21 ARG A 102 8.938 22.464 0.096 1.00 0.00 H new ATOM 0 HH22 ARG A 102 7.213 22.750 -0.159 1.00 0.00 H new ATOM 1558 N SER A 103 9.599 14.496 -2.512 1.00 0.00 N ATOM 1559 CA SER A 103 8.757 13.326 -2.294 1.00 0.00 C ATOM 1560 C SER A 103 8.231 13.295 -0.862 1.00 0.00 C ATOM 1561 O SER A 103 8.942 13.644 0.080 1.00 0.00 O ATOM 1562 CB SER A 103 9.540 12.045 -2.589 1.00 0.00 C ATOM 1563 OG SER A 103 10.769 12.025 -1.884 1.00 0.00 O ATOM 0 H SER A 103 10.572 14.375 -2.229 1.00 0.00 H new ATOM 0 HA SER A 103 7.908 13.389 -2.974 1.00 0.00 H new ATOM 0 HB2 SER A 103 8.943 11.177 -2.309 1.00 0.00 H new ATOM 0 HB3 SER A 103 9.730 11.970 -3.660 1.00 0.00 H new ATOM 0 HG SER A 103 11.250 11.196 -2.088 1.00 0.00 H new ATOM 1569 N SER A 104 6.980 12.874 -0.707 1.00 0.00 N ATOM 1570 CA SER A 104 6.356 12.800 0.609 1.00 0.00 C ATOM 1571 C SER A 104 6.477 11.395 1.191 1.00 0.00 C ATOM 1572 O SER A 104 7.060 10.503 0.573 1.00 0.00 O ATOM 1573 CB SER A 104 4.882 13.202 0.521 1.00 0.00 C ATOM 1574 OG SER A 104 4.183 12.836 1.698 1.00 0.00 O ATOM 0 H SER A 104 6.379 12.579 -1.476 1.00 0.00 H new ATOM 0 HA SER A 104 6.877 13.494 1.269 1.00 0.00 H new ATOM 0 HB2 SER A 104 4.804 14.278 0.368 1.00 0.00 H new ATOM 0 HB3 SER A 104 4.422 12.723 -0.343 1.00 0.00 H new ATOM 0 HG SER A 104 3.244 13.105 1.618 1.00 0.00 H new ATOM 1580 N THR A 105 5.923 11.205 2.384 1.00 0.00 N ATOM 1581 CA THR A 105 5.970 9.910 3.051 1.00 0.00 C ATOM 1582 C THR A 105 4.795 9.033 2.632 1.00 0.00 C ATOM 1583 O THR A 105 3.732 9.536 2.270 1.00 0.00 O ATOM 1584 CB THR A 105 5.958 10.066 4.583 1.00 0.00 C ATOM 1585 OG1 THR A 105 6.313 8.826 5.205 1.00 0.00 O ATOM 1586 CG2 THR A 105 4.587 10.510 5.071 1.00 0.00 C ATOM 0 H THR A 105 5.436 11.932 2.908 1.00 0.00 H new ATOM 0 HA THR A 105 6.902 9.433 2.749 1.00 0.00 H new ATOM 0 HB THR A 105 6.687 10.829 4.854 1.00 0.00 H new ATOM 0 HG1 THR A 105 5.578 8.526 5.780 1.00 0.00 H new ATOM 0 HG21 THR A 105 4.603 10.613 6.156 1.00 0.00 H new ATOM 0 HG22 THR A 105 4.333 11.469 4.619 1.00 0.00 H new ATOM 0 HG23 THR A 105 3.842 9.766 4.788 1.00 0.00 H new ATOM 1594 N TRP A 106 4.995 7.721 2.684 1.00 0.00 N ATOM 1595 CA TRP A 106 3.950 6.774 2.310 1.00 0.00 C ATOM 1596 C TRP A 106 2.848 6.736 3.363 1.00 0.00 C ATOM 1597 O TRP A 106 3.109 6.901 4.554 1.00 0.00 O ATOM 1598 CB TRP A 106 4.543 5.377 2.124 1.00 0.00 C ATOM 1599 CG TRP A 106 5.730 5.353 1.208 1.00 0.00 C ATOM 1600 CD1 TRP A 106 7.017 5.681 1.526 1.00 0.00 C ATOM 1601 CD2 TRP A 106 5.738 4.982 -0.175 1.00 0.00 C ATOM 1602 NE1 TRP A 106 7.825 5.536 0.424 1.00 0.00 N ATOM 1603 CE2 TRP A 106 7.065 5.108 -0.632 1.00 0.00 C ATOM 1604 CE3 TRP A 106 4.755 4.554 -1.071 1.00 0.00 C ATOM 1605 CZ2 TRP A 106 7.429 4.823 -1.945 1.00 0.00 C ATOM 1606 CZ3 TRP A 106 5.119 4.272 -2.373 1.00 0.00 C ATOM 1607 CH2 TRP A 106 6.446 4.406 -2.801 1.00 0.00 C ATOM 0 H TRP A 106 5.870 7.289 2.981 1.00 0.00 H new ATOM 0 HA TRP A 106 3.514 7.105 1.367 1.00 0.00 H new ATOM 0 HB2 TRP A 106 4.836 4.982 3.097 1.00 0.00 H new ATOM 0 HB3 TRP A 106 3.774 4.713 1.728 1.00 0.00 H new ATOM 0 HD1 TRP A 106 7.351 6.006 2.500 1.00 0.00 H new ATOM 0 HE1 TRP A 106 8.828 5.718 0.397 1.00 0.00 H new ATOM 0 HE3 TRP A 106 3.729 4.446 -0.751 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 8.452 4.927 -2.277 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 4.367 3.942 -3.074 1.00 0.00 H new ATOM 0 HH2 TRP A 106 6.698 4.176 -3.826 1.00 0.00 H new ATOM 1618 N SER A 107 1.616 6.517 2.915 1.00 0.00 N ATOM 1619 CA SER A 107 0.473 6.460 3.820 1.00 0.00 C ATOM 1620 C SER A 107 0.324 5.066 4.421 1.00 0.00 C ATOM 1621 O SER A 107 1.162 4.191 4.201 1.00 0.00 O ATOM 1622 CB SER A 107 -0.809 6.849 3.080 1.00 0.00 C ATOM 1623 OG SER A 107 -1.011 6.027 1.943 1.00 0.00 O ATOM 0 H SER A 107 1.383 6.376 1.932 1.00 0.00 H new ATOM 0 HA SER A 107 0.646 7.168 4.630 1.00 0.00 H new ATOM 0 HB2 SER A 107 -1.662 6.761 3.753 1.00 0.00 H new ATOM 0 HB3 SER A 107 -0.753 7.893 2.772 1.00 0.00 H new ATOM 0 HG SER A 107 -0.323 5.330 1.917 1.00 0.00 H new ATOM 1629 N MET A 108 -0.748 4.867 5.180 1.00 0.00 N ATOM 1630 CA MET A 108 -1.008 3.579 5.812 1.00 0.00 C ATOM 1631 C MET A 108 -0.841 2.439 4.813 1.00 0.00 C ATOM 1632 O MET A 108 -1.238 2.553 3.653 1.00 0.00 O ATOM 1633 CB MET A 108 -2.419 3.552 6.402 1.00 0.00 C ATOM 1634 CG MET A 108 -3.506 3.886 5.394 1.00 0.00 C ATOM 1635 SD MET A 108 -5.164 3.574 6.030 1.00 0.00 S ATOM 1636 CE MET A 108 -5.298 1.806 5.776 1.00 0.00 C ATOM 0 H MET A 108 -1.451 5.581 5.372 1.00 0.00 H new ATOM 0 HA MET A 108 -0.283 3.444 6.615 1.00 0.00 H new ATOM 0 HB2 MET A 108 -2.611 2.563 6.817 1.00 0.00 H new ATOM 0 HB3 MET A 108 -2.472 4.260 7.229 1.00 0.00 H new ATOM 0 HG2 MET A 108 -3.422 4.935 5.109 1.00 0.00 H new ATOM 0 HG3 MET A 108 -3.351 3.297 4.490 1.00 0.00 H new ATOM 0 HE1 MET A 108 -6.188 1.590 5.185 1.00 0.00 H new ATOM 0 HE2 MET A 108 -4.415 1.446 5.247 1.00 0.00 H new ATOM 0 HE3 MET A 108 -5.372 1.304 6.741 1.00 0.00 H new ATOM 1646 N THR A 109 -0.249 1.339 5.270 1.00 0.00 N ATOM 1647 CA THR A 109 -0.028 0.180 4.415 1.00 0.00 C ATOM 1648 C THR A 109 -1.276 -0.691 4.335 1.00 0.00 C ATOM 1649 O THR A 109 -1.929 -0.951 5.346 1.00 0.00 O ATOM 1650 CB THR A 109 1.149 -0.676 4.923 1.00 0.00 C ATOM 1651 OG1 THR A 109 2.368 0.070 4.839 1.00 0.00 O ATOM 1652 CG2 THR A 109 1.275 -1.957 4.113 1.00 0.00 C ATOM 0 H THR A 109 0.086 1.227 6.227 1.00 0.00 H new ATOM 0 HA THR A 109 0.210 0.561 3.422 1.00 0.00 H new ATOM 0 HB THR A 109 0.956 -0.940 5.963 1.00 0.00 H new ATOM 0 HG1 THR A 109 3.109 -0.474 5.180 1.00 0.00 H new ATOM 0 HG21 THR A 109 2.112 -2.545 4.490 1.00 0.00 H new ATOM 0 HG22 THR A 109 0.356 -2.536 4.202 1.00 0.00 H new ATOM 0 HG23 THR A 109 1.447 -1.710 3.066 1.00 0.00 H new ATOM 1660 N ALA A 110 -1.604 -1.139 3.127 1.00 0.00 N ATOM 1661 CA ALA A 110 -2.773 -1.983 2.917 1.00 0.00 C ATOM 1662 C ALA A 110 -2.365 -3.414 2.586 1.00 0.00 C ATOM 1663 O ALA A 110 -1.627 -3.655 1.630 1.00 0.00 O ATOM 1664 CB ALA A 110 -3.644 -1.410 1.808 1.00 0.00 C ATOM 0 H ALA A 110 -1.076 -0.931 2.279 1.00 0.00 H new ATOM 0 HA ALA A 110 -3.348 -2.003 3.843 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -4.514 -2.050 1.661 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -3.973 -0.408 2.085 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -3.070 -1.361 0.883 1.00 0.00 H new ATOM 1670 N HIS A 111 -2.849 -4.362 3.382 1.00 0.00 N ATOM 1671 CA HIS A 111 -2.534 -5.771 3.174 1.00 0.00 C ATOM 1672 C HIS A 111 -3.595 -6.442 2.307 1.00 0.00 C ATOM 1673 O HIS A 111 -4.784 -6.152 2.429 1.00 0.00 O ATOM 1674 CB HIS A 111 -2.422 -6.494 4.516 1.00 0.00 C ATOM 1675 CG HIS A 111 -1.090 -6.323 5.180 1.00 0.00 C ATOM 1676 ND1 HIS A 111 0.094 -6.238 4.479 1.00 0.00 N ATOM 1677 CD2 HIS A 111 -0.760 -6.220 6.488 1.00 0.00 C ATOM 1678 CE1 HIS A 111 1.096 -6.091 5.328 1.00 0.00 C ATOM 1679 NE2 HIS A 111 0.604 -6.076 6.554 1.00 0.00 N ATOM 0 H HIS A 111 -3.461 -4.180 4.177 1.00 0.00 H new ATOM 0 HA HIS A 111 -1.576 -5.832 2.657 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -3.201 -6.126 5.184 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -2.609 -7.557 4.363 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -1.442 -6.246 7.325 1.00 0.00 H new ATOM 0 HE1 HIS A 111 2.139 -5.999 5.064 1.00 0.00 H new ATOM 0 HE2 HIS A 111 1.149 -5.974 7.410 1.00 0.00 H new ATOM 1688 N ALA A 112 -3.155 -7.340 1.431 1.00 0.00 N ATOM 1689 CA ALA A 112 -4.067 -8.053 0.546 1.00 0.00 C ATOM 1690 C ALA A 112 -3.395 -9.279 -0.063 1.00 0.00 C ATOM 1691 O ALA A 112 -2.520 -9.159 -0.922 1.00 0.00 O ATOM 1692 CB ALA A 112 -4.570 -7.126 -0.551 1.00 0.00 C ATOM 0 H ALA A 112 -2.173 -7.590 1.316 1.00 0.00 H new ATOM 0 HA ALA A 112 -4.917 -8.393 1.138 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -5.250 -7.672 -1.205 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -5.096 -6.283 -0.102 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -3.725 -6.758 -1.133 1.00 0.00 H new ATOM 1698 N THR A 113 -3.807 -10.460 0.389 1.00 0.00 N ATOM 1699 CA THR A 113 -3.243 -11.708 -0.110 1.00 0.00 C ATOM 1700 C THR A 113 -3.878 -12.107 -1.437 1.00 0.00 C ATOM 1701 O THR A 113 -5.079 -11.927 -1.642 1.00 0.00 O ATOM 1702 CB THR A 113 -3.433 -12.854 0.902 1.00 0.00 C ATOM 1703 OG1 THR A 113 -3.157 -12.388 2.227 1.00 0.00 O ATOM 1704 CG2 THR A 113 -2.521 -14.025 0.571 1.00 0.00 C ATOM 0 H THR A 113 -4.529 -10.578 1.100 1.00 0.00 H new ATOM 0 HA THR A 113 -2.177 -11.536 -0.258 1.00 0.00 H new ATOM 0 HB THR A 113 -4.468 -13.192 0.844 1.00 0.00 H new ATOM 0 HG1 THR A 113 -3.282 -13.122 2.864 1.00 0.00 H new ATOM 0 HG21 THR A 113 -2.673 -14.822 1.299 1.00 0.00 H new ATOM 0 HG22 THR A 113 -2.753 -14.396 -0.427 1.00 0.00 H new ATOM 0 HG23 THR A 113 -1.482 -13.697 0.603 1.00 0.00 H new ATOM 1712 N THR A 114 -3.065 -12.651 -2.337 1.00 0.00 N ATOM 1713 CA THR A 114 -3.548 -13.075 -3.646 1.00 0.00 C ATOM 1714 C THR A 114 -4.210 -14.446 -3.569 1.00 0.00 C ATOM 1715 O THR A 114 -3.957 -15.218 -2.644 1.00 0.00 O ATOM 1716 CB THR A 114 -2.404 -13.126 -4.676 1.00 0.00 C ATOM 1717 OG1 THR A 114 -1.281 -13.825 -4.128 1.00 0.00 O ATOM 1718 CG2 THR A 114 -1.984 -11.724 -5.088 1.00 0.00 C ATOM 0 H THR A 114 -2.069 -12.808 -2.184 1.00 0.00 H new ATOM 0 HA THR A 114 -4.283 -12.337 -3.967 1.00 0.00 H new ATOM 0 HB THR A 114 -2.764 -13.654 -5.559 1.00 0.00 H new ATOM 0 HG1 THR A 114 -0.529 -13.779 -4.755 1.00 0.00 H new ATOM 0 HG21 THR A 114 -1.175 -11.786 -5.816 1.00 0.00 H new ATOM 0 HG22 THR A 114 -2.833 -11.206 -5.533 1.00 0.00 H new ATOM 0 HG23 THR A 114 -1.642 -11.174 -4.211 1.00 0.00 H new ATOM 1726 N TYR A 115 -5.057 -14.744 -4.548 1.00 0.00 N ATOM 1727 CA TYR A 115 -5.757 -16.022 -4.591 1.00 0.00 C ATOM 1728 C TYR A 115 -4.816 -17.145 -5.017 1.00 0.00 C ATOM 1729 O TYR A 115 -3.829 -16.910 -5.714 1.00 0.00 O ATOM 1730 CB TYR A 115 -6.945 -15.945 -5.551 1.00 0.00 C ATOM 1731 CG TYR A 115 -7.797 -14.710 -5.363 1.00 0.00 C ATOM 1732 CD1 TYR A 115 -8.815 -14.681 -4.418 1.00 0.00 C ATOM 1733 CD2 TYR A 115 -7.581 -13.571 -6.129 1.00 0.00 C ATOM 1734 CE1 TYR A 115 -9.596 -13.555 -4.244 1.00 0.00 C ATOM 1735 CE2 TYR A 115 -8.356 -12.440 -5.960 1.00 0.00 C ATOM 1736 CZ TYR A 115 -9.362 -12.437 -5.017 1.00 0.00 C ATOM 1737 OH TYR A 115 -10.137 -11.313 -4.845 1.00 0.00 O ATOM 0 H TYR A 115 -5.275 -14.117 -5.323 1.00 0.00 H new ATOM 0 HA TYR A 115 -6.123 -16.240 -3.588 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -6.575 -15.968 -6.576 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -7.568 -16.830 -5.417 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -8.999 -15.554 -3.809 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -6.794 -13.570 -6.869 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -10.385 -13.550 -3.507 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -8.175 -11.563 -6.563 1.00 0.00 H new ATOM 0 HH TYR A 115 -9.585 -10.513 -4.968 1.00 0.00 H new ATOM 1747 N GLU A 116 -5.130 -18.365 -4.593 1.00 0.00 N ATOM 1748 CA GLU A 116 -4.313 -19.524 -4.931 1.00 0.00 C ATOM 1749 C GLU A 116 -4.446 -19.871 -6.411 1.00 0.00 C ATOM 1750 O GLU A 116 -5.527 -20.219 -6.884 1.00 0.00 O ATOM 1751 CB GLU A 116 -4.717 -20.727 -4.076 1.00 0.00 C ATOM 1752 CG GLU A 116 -3.575 -21.693 -3.806 1.00 0.00 C ATOM 1753 CD GLU A 116 -4.007 -22.892 -2.984 1.00 0.00 C ATOM 1754 OE1 GLU A 116 -4.529 -23.860 -3.575 1.00 0.00 O ATOM 1755 OE2 GLU A 116 -3.822 -22.861 -1.749 1.00 0.00 O ATOM 0 H GLU A 116 -5.944 -18.576 -4.015 1.00 0.00 H new ATOM 0 HA GLU A 116 -3.272 -19.274 -4.726 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -5.112 -20.370 -3.125 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -5.524 -21.263 -4.576 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -3.163 -22.037 -4.755 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -2.776 -21.168 -3.283 1.00 0.00 H new ATOM 1762 N ALA A 117 -3.337 -19.772 -7.138 1.00 0.00 N ATOM 1763 CA ALA A 117 -3.328 -20.076 -8.563 1.00 0.00 C ATOM 1764 C ALA A 117 -4.020 -21.405 -8.845 1.00 0.00 C ATOM 1765 O ALA A 117 -4.417 -22.118 -7.923 1.00 0.00 O ATOM 1766 CB ALA A 117 -1.901 -20.099 -9.089 1.00 0.00 C ATOM 0 H ALA A 117 -2.434 -19.484 -6.763 1.00 0.00 H new ATOM 0 HA ALA A 117 -3.881 -19.292 -9.080 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -1.910 -20.327 -10.155 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -1.439 -19.125 -8.930 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -1.330 -20.862 -8.559 1.00 0.00 H new ATOM 1772 N SER A 118 -4.161 -21.734 -10.126 1.00 0.00 N ATOM 1773 CA SER A 118 -4.809 -22.977 -10.529 1.00 0.00 C ATOM 1774 C SER A 118 -3.775 -24.063 -10.806 1.00 0.00 C ATOM 1775 O SER A 118 -2.625 -23.773 -11.133 1.00 0.00 O ATOM 1776 CB SER A 118 -5.670 -22.747 -11.773 1.00 0.00 C ATOM 1777 OG SER A 118 -6.303 -23.947 -12.183 1.00 0.00 O ATOM 0 H SER A 118 -3.835 -21.157 -10.902 1.00 0.00 H new ATOM 0 HA SER A 118 -5.447 -23.308 -9.710 1.00 0.00 H new ATOM 0 HB2 SER A 118 -6.423 -21.988 -11.563 1.00 0.00 H new ATOM 0 HB3 SER A 118 -5.049 -22.364 -12.583 1.00 0.00 H new ATOM 0 HG SER A 118 -6.849 -23.774 -12.978 1.00 0.00 H new ATOM 1783 N GLY A 119 -4.193 -25.318 -10.672 1.00 0.00 N ATOM 1784 CA GLY A 119 -3.292 -26.430 -10.911 1.00 0.00 C ATOM 1785 C GLY A 119 -4.029 -27.740 -11.113 1.00 0.00 C ATOM 1786 O GLY A 119 -5.139 -27.777 -11.643 1.00 0.00 O ATOM 0 H GLY A 119 -5.140 -25.584 -10.402 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -2.685 -26.219 -11.791 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -2.608 -26.527 -10.068 1.00 0.00 H new ATOM 1790 N PRO A 120 -3.404 -28.847 -10.686 1.00 0.00 N ATOM 1791 CA PRO A 120 -3.988 -30.185 -10.814 1.00 0.00 C ATOM 1792 C PRO A 120 -5.184 -30.386 -9.890 1.00 0.00 C ATOM 1793 O PRO A 120 -5.040 -30.873 -8.769 1.00 0.00 O ATOM 1794 CB PRO A 120 -2.839 -31.114 -10.411 1.00 0.00 C ATOM 1795 CG PRO A 120 -1.975 -30.285 -9.525 1.00 0.00 C ATOM 1796 CD PRO A 120 -2.078 -28.877 -10.045 1.00 0.00 C ATOM 0 HA PRO A 120 -4.370 -30.368 -11.818 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -3.208 -31.997 -9.890 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -2.289 -31.465 -11.284 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -2.308 -30.344 -8.489 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -0.943 -30.635 -9.548 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -2.004 -28.145 -9.241 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -1.283 -28.652 -10.756 1.00 0.00 H new ATOM 1804 N SER A 121 -6.365 -30.008 -10.368 1.00 0.00 N ATOM 1805 CA SER A 121 -7.587 -30.144 -9.583 1.00 0.00 C ATOM 1806 C SER A 121 -8.501 -31.209 -10.180 1.00 0.00 C ATOM 1807 O SER A 121 -9.713 -31.017 -10.281 1.00 0.00 O ATOM 1808 CB SER A 121 -8.324 -28.805 -9.511 1.00 0.00 C ATOM 1809 OG SER A 121 -9.491 -28.907 -8.714 1.00 0.00 O ATOM 0 H SER A 121 -6.502 -29.605 -11.295 1.00 0.00 H new ATOM 0 HA SER A 121 -7.309 -30.452 -8.575 1.00 0.00 H new ATOM 0 HB2 SER A 121 -7.662 -28.044 -9.097 1.00 0.00 H new ATOM 0 HB3 SER A 121 -8.594 -28.480 -10.516 1.00 0.00 H new ATOM 0 HG SER A 121 -10.072 -29.610 -9.072 1.00 0.00 H new ATOM 1815 N SER A 122 -7.911 -32.332 -10.576 1.00 0.00 N ATOM 1816 CA SER A 122 -8.670 -33.428 -11.167 1.00 0.00 C ATOM 1817 C SER A 122 -9.632 -34.034 -10.149 1.00 0.00 C ATOM 1818 O SER A 122 -9.424 -33.927 -8.942 1.00 0.00 O ATOM 1819 CB SER A 122 -7.723 -34.506 -11.696 1.00 0.00 C ATOM 1820 OG SER A 122 -8.394 -35.384 -12.583 1.00 0.00 O ATOM 0 H SER A 122 -6.909 -32.507 -10.498 1.00 0.00 H new ATOM 0 HA SER A 122 -9.252 -33.028 -11.997 1.00 0.00 H new ATOM 0 HB2 SER A 122 -6.884 -34.037 -12.209 1.00 0.00 H new ATOM 0 HB3 SER A 122 -7.310 -35.073 -10.862 1.00 0.00 H new ATOM 0 HG SER A 122 -7.766 -36.063 -12.908 1.00 0.00 H new ATOM 1826 N GLY A 123 -10.687 -34.671 -10.648 1.00 0.00 N ATOM 1827 CA GLY A 123 -11.666 -35.284 -9.770 1.00 0.00 C ATOM 1828 C GLY A 123 -12.807 -35.928 -10.533 1.00 0.00 C ATOM 1829 O GLY A 123 -13.840 -35.300 -10.764 1.00 0.00 O ATOM 0 H GLY A 123 -10.881 -34.773 -11.644 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -11.175 -36.037 -9.153 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -12.066 -34.529 -9.094 1.00 0.00 H new TER 1833 GLY A 123