USER MOD reduce.3.24.130724 H: found=0, std=0, add=995, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 992 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 82 CYS SG : rot -1:sc= 0.586 USER MOD Set 1.2: A 100 GLN : amide:sc= 0.511 K(o=1.1,f=-0.5) USER MOD Set 2.1: A 16 GLN : amide:sc= 1.53 K(o=5.3,f=0.19!) USER MOD Set 2.2: A 40 SER OG : rot -129:sc= 0.99 USER MOD Set 2.3: A 60 GLN : amide:sc= 1.33 K(o=5.3,f=2.8) USER MOD Set 2.4: A 62 SER OG : rot 159:sc= 1.47 USER MOD Set 3.1: A 13 CYS SG : rot -52:sc= 0.578 USER MOD Set 3.2: A 43 HIS : no HD1:sc= -0.689 K(o=-0.11,f=-1.4) USER MOD Set 4.1: A 2 LYS NZ :NH3+ 173:sc= 0.578 (180deg=0) USER MOD Set 4.2: A 131 SER OG : rot -164:sc= 0.649 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 144:sc= 0.0116 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -178:sc= 1.34 (180deg=1.21) USER MOD Single : A 5 MET CE :methyl -164:sc= 0 (180deg=-0.844) USER MOD Single : A 8 CYS SG : rot 77:sc= 0.24 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= 1.38 K(o=1.4,f=-3.8!) USER MOD Single : A 12 SER OG : rot 139:sc= 0.793 USER MOD Single : A 15 SER OG : rot 180:sc= 0.0294 USER MOD Single : A 17 MET CE :methyl 157:sc= -0.242 (180deg=-0.482) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 76:sc= 0.665 USER MOD Single : A 29 LYS NZ :NH3+ -146:sc= 1.27 (180deg=0.901) USER MOD Single : A 33 THR OG1 : rot -160:sc=-0.00961 USER MOD Single : A 34 SER OG : rot -58:sc= 1.26 USER MOD Single : A 35 CYS SG : rot 62:sc= 0.229 USER MOD Single : A 39 SER OG : rot 180:sc= 0.00894 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl -163:sc= -0.0628 (180deg=-0.14) USER MOD Single : A 50 MET CE :methyl -158:sc= 0 (180deg=-0.0943) USER MOD Single : A 58 SER OG : rot -86:sc= 1.28 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 2.21 K(o=2.2,f=-0.026) USER MOD Single : A 69 ASN : amide:sc= 0.972 K(o=0.97,f=-0.078) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 109:sc= 0.389 USER MOD Single : A 80 CYS SG : rot -160:sc= -0.0879 USER MOD Single : A 85 ASN : amide:sc= -0.012 K(o=-0.012,f=-1.1) USER MOD Single : A 92 THR OG1 : rot -42:sc= 0.0865 USER MOD Single : A 93 GLN : amide:sc= -0.748 X(o=-0.75,f=-0.42) USER MOD Single : A 107 GLN : amide:sc= 1.69 K(o=1.7,f=0) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot 79:sc= 1.25 USER MOD Single : A 118 GLN : amide:sc= 0.878 K(o=0.88,f=0) USER MOD Single : A 120 LYS NZ :NH3+ -165:sc= 1.3 (180deg=1.19) USER MOD Single : A 125 ASN : amide:sc= 0.776 K(o=0.78,f=-0.006) USER MOD Single : A 129 LYS NZ :NH3+ 162:sc= 1.26 (180deg=1.17) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.838 2.300 1.129 1.00 0.00 N ATOM 2 CA MET A 1 3.860 1.991 -0.338 1.00 0.00 C ATOM 3 C MET A 1 4.814 0.818 -0.646 1.00 0.00 C ATOM 4 O MET A 1 5.869 0.711 -0.026 1.00 0.00 O ATOM 5 CB MET A 1 4.207 3.257 -1.172 1.00 0.00 C ATOM 6 CG MET A 1 4.251 3.033 -2.695 1.00 0.00 C ATOM 7 SD MET A 1 4.441 4.541 -3.693 1.00 0.00 S ATOM 8 CE MET A 1 2.738 5.174 -3.666 1.00 0.00 C ATOM 0 H1 MET A 1 3.746 3.327 1.266 1.00 0.00 H new ATOM 0 H2 MET A 1 3.031 1.817 1.573 1.00 0.00 H new ATOM 0 H3 MET A 1 4.722 1.970 1.566 1.00 0.00 H new ATOM 0 HA MET A 1 2.859 1.676 -0.632 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.472 4.032 -0.954 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.176 3.636 -0.846 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.076 2.359 -2.923 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.334 2.528 -2.999 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.685 6.101 -4.237 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.069 4.436 -4.109 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.437 5.365 -2.636 1.00 0.00 H new ATOM 18 N LYS A 2 4.469 -0.053 -1.615 1.00 0.00 N ATOM 19 CA LYS A 2 5.294 -1.213 -2.019 1.00 0.00 C ATOM 20 C LYS A 2 6.558 -0.771 -2.750 1.00 0.00 C ATOM 21 O LYS A 2 6.484 0.116 -3.601 1.00 0.00 O ATOM 22 CB LYS A 2 4.509 -2.193 -2.920 1.00 0.00 C ATOM 23 CG LYS A 2 3.143 -2.664 -2.389 1.00 0.00 C ATOM 24 CD LYS A 2 2.329 -3.402 -3.472 1.00 0.00 C ATOM 25 CE LYS A 2 1.719 -2.492 -4.563 1.00 0.00 C ATOM 26 NZ LYS A 2 0.430 -1.848 -4.161 1.00 0.00 N ATOM 0 H LYS A 2 3.602 0.028 -2.145 1.00 0.00 H new ATOM 0 HA LYS A 2 5.571 -1.726 -1.098 1.00 0.00 H new ATOM 0 HB2 LYS A 2 4.354 -1.718 -3.889 1.00 0.00 H new ATOM 0 HB3 LYS A 2 5.130 -3.072 -3.092 1.00 0.00 H new ATOM 0 HG2 LYS A 2 3.293 -3.324 -1.535 1.00 0.00 H new ATOM 0 HG3 LYS A 2 2.576 -1.804 -2.031 1.00 0.00 H new ATOM 0 HD2 LYS A 2 2.974 -4.137 -3.952 1.00 0.00 H new ATOM 0 HD3 LYS A 2 1.523 -3.953 -2.987 1.00 0.00 H new ATOM 0 HE2 LYS A 2 2.439 -1.714 -4.818 1.00 0.00 H new ATOM 0 HE3 LYS A 2 1.554 -3.082 -5.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 0.142 -1.164 -4.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -0.305 -2.577 -4.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 0.556 -1.355 -3.254 1.00 0.00 H new ATOM 40 N LYS A 3 7.685 -1.434 -2.498 1.00 0.00 N ATOM 41 CA LYS A 3 8.954 -1.209 -3.211 1.00 0.00 C ATOM 42 C LYS A 3 9.303 -2.384 -4.122 1.00 0.00 C ATOM 43 O LYS A 3 9.354 -3.528 -3.676 1.00 0.00 O ATOM 44 CB LYS A 3 10.048 -0.889 -2.183 1.00 0.00 C ATOM 45 CG LYS A 3 11.291 -0.231 -2.802 1.00 0.00 C ATOM 46 CD LYS A 3 12.317 0.187 -1.734 1.00 0.00 C ATOM 47 CE LYS A 3 11.732 1.183 -0.716 1.00 0.00 C ATOM 48 NZ LYS A 3 12.772 1.663 0.235 1.00 0.00 N ATOM 0 H LYS A 3 7.750 -2.157 -1.781 1.00 0.00 H new ATOM 0 HA LYS A 3 8.858 -0.353 -3.879 1.00 0.00 H new ATOM 0 HB2 LYS A 3 9.637 -0.228 -1.420 1.00 0.00 H new ATOM 0 HB3 LYS A 3 10.345 -1.810 -1.681 1.00 0.00 H new ATOM 0 HG2 LYS A 3 11.758 -0.925 -3.501 1.00 0.00 H new ATOM 0 HG3 LYS A 3 10.989 0.645 -3.376 1.00 0.00 H new ATOM 0 HD2 LYS A 3 12.672 -0.699 -1.208 1.00 0.00 H new ATOM 0 HD3 LYS A 3 13.182 0.636 -2.221 1.00 0.00 H new ATOM 0 HE2 LYS A 3 11.300 2.033 -1.244 1.00 0.00 H new ATOM 0 HE3 LYS A 3 10.923 0.706 -0.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 12.338 2.306 0.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 13.191 0.850 0.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 13.515 2.169 -0.289 1.00 0.00 H new ATOM 62 N VAL A 4 9.548 -2.076 -5.394 1.00 0.00 N ATOM 63 CA VAL A 4 9.917 -3.022 -6.454 1.00 0.00 C ATOM 64 C VAL A 4 11.436 -3.045 -6.642 1.00 0.00 C ATOM 65 O VAL A 4 12.011 -2.067 -7.120 1.00 0.00 O ATOM 66 CB VAL A 4 9.218 -2.680 -7.784 1.00 0.00 C ATOM 67 CG1 VAL A 4 9.489 -3.763 -8.838 1.00 0.00 C ATOM 68 CG2 VAL A 4 7.693 -2.568 -7.633 1.00 0.00 C ATOM 0 H VAL A 4 9.493 -1.116 -5.733 1.00 0.00 H new ATOM 0 HA VAL A 4 9.583 -4.013 -6.147 1.00 0.00 H new ATOM 0 HB VAL A 4 9.626 -1.718 -8.094 1.00 0.00 H new ATOM 0 HG11 VAL A 4 8.985 -3.500 -9.768 1.00 0.00 H new ATOM 0 HG12 VAL A 4 10.562 -3.838 -9.015 1.00 0.00 H new ATOM 0 HG13 VAL A 4 9.112 -4.721 -8.480 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.249 -2.326 -8.598 1.00 0.00 H new ATOM 0 HG22 VAL A 4 7.292 -3.517 -7.277 1.00 0.00 H new ATOM 0 HG23 VAL A 4 7.455 -1.782 -6.916 1.00 0.00 H new ATOM 78 N MET A 5 12.094 -4.154 -6.291 1.00 0.00 N ATOM 79 CA MET A 5 13.504 -4.373 -6.642 1.00 0.00 C ATOM 80 C MET A 5 13.583 -5.099 -7.990 1.00 0.00 C ATOM 81 O MET A 5 12.998 -6.170 -8.141 1.00 0.00 O ATOM 82 CB MET A 5 14.240 -5.178 -5.561 1.00 0.00 C ATOM 83 CG MET A 5 15.740 -5.314 -5.869 1.00 0.00 C ATOM 84 SD MET A 5 16.704 -3.782 -5.778 1.00 0.00 S ATOM 85 CE MET A 5 17.317 -3.911 -4.075 1.00 0.00 C ATOM 0 H MET A 5 11.673 -4.918 -5.762 1.00 0.00 H new ATOM 0 HA MET A 5 13.994 -3.402 -6.715 1.00 0.00 H new ATOM 0 HB2 MET A 5 14.111 -4.691 -4.595 1.00 0.00 H new ATOM 0 HB3 MET A 5 13.795 -6.170 -5.480 1.00 0.00 H new ATOM 0 HG2 MET A 5 16.171 -6.034 -5.174 1.00 0.00 H new ATOM 0 HG3 MET A 5 15.850 -5.732 -6.870 1.00 0.00 H new ATOM 0 HE1 MET A 5 17.687 -2.940 -3.747 1.00 0.00 H new ATOM 0 HE2 MET A 5 16.507 -4.230 -3.420 1.00 0.00 H new ATOM 0 HE3 MET A 5 18.126 -4.640 -4.034 1.00 0.00 H new ATOM 95 N PHE A 6 14.349 -4.562 -8.939 1.00 0.00 N ATOM 96 CA PHE A 6 14.672 -5.220 -10.209 1.00 0.00 C ATOM 97 C PHE A 6 16.088 -5.823 -10.177 1.00 0.00 C ATOM 98 O PHE A 6 17.050 -5.084 -9.962 1.00 0.00 O ATOM 99 CB PHE A 6 14.501 -4.205 -11.343 1.00 0.00 C ATOM 100 CG PHE A 6 13.059 -3.799 -11.583 1.00 0.00 C ATOM 101 CD1 PHE A 6 12.189 -4.693 -12.228 1.00 0.00 C ATOM 102 CD2 PHE A 6 12.577 -2.552 -11.154 1.00 0.00 C ATOM 103 CE1 PHE A 6 10.863 -4.326 -12.497 1.00 0.00 C ATOM 104 CE2 PHE A 6 11.247 -2.181 -11.426 1.00 0.00 C ATOM 105 CZ PHE A 6 10.400 -3.051 -12.142 1.00 0.00 C ATOM 0 H PHE A 6 14.772 -3.638 -8.847 1.00 0.00 H new ATOM 0 HA PHE A 6 13.991 -6.054 -10.379 1.00 0.00 H new ATOM 0 HB2 PHE A 6 15.087 -3.315 -11.114 1.00 0.00 H new ATOM 0 HB3 PHE A 6 14.908 -4.627 -12.262 1.00 0.00 H new ATOM 0 HD1 PHE A 6 12.544 -5.671 -12.519 1.00 0.00 H new ATOM 0 HD2 PHE A 6 13.227 -1.878 -10.616 1.00 0.00 H new ATOM 0 HE1 PHE A 6 10.197 -5.027 -12.979 1.00 0.00 H new ATOM 0 HE2 PHE A 6 10.874 -1.227 -11.085 1.00 0.00 H new ATOM 0 HZ PHE A 6 9.403 -2.738 -12.415 1.00 0.00 H new ATOM 115 N VAL A 7 16.252 -7.137 -10.401 1.00 0.00 N ATOM 116 CA VAL A 7 17.551 -7.841 -10.255 1.00 0.00 C ATOM 117 C VAL A 7 17.982 -8.653 -11.479 1.00 0.00 C ATOM 118 O VAL A 7 17.151 -9.236 -12.165 1.00 0.00 O ATOM 119 CB VAL A 7 17.642 -8.672 -8.955 1.00 0.00 C ATOM 120 CG1 VAL A 7 17.288 -7.840 -7.720 1.00 0.00 C ATOM 121 CG2 VAL A 7 16.743 -9.912 -8.942 1.00 0.00 C ATOM 0 H VAL A 7 15.489 -7.749 -10.690 1.00 0.00 H new ATOM 0 HA VAL A 7 18.278 -7.033 -10.178 1.00 0.00 H new ATOM 0 HB VAL A 7 18.683 -8.994 -8.924 1.00 0.00 H new ATOM 0 HG11 VAL A 7 17.364 -8.462 -6.828 1.00 0.00 H new ATOM 0 HG12 VAL A 7 17.978 -7.000 -7.637 1.00 0.00 H new ATOM 0 HG13 VAL A 7 16.269 -7.464 -7.814 1.00 0.00 H new ATOM 0 HG21 VAL A 7 16.865 -10.440 -7.996 1.00 0.00 H new ATOM 0 HG22 VAL A 7 15.702 -9.608 -9.056 1.00 0.00 H new ATOM 0 HG23 VAL A 7 17.021 -10.571 -9.764 1.00 0.00 H new ATOM 131 N CYS A 8 19.283 -8.676 -11.794 1.00 0.00 N ATOM 132 CA CYS A 8 19.824 -9.333 -13.001 1.00 0.00 C ATOM 133 C CYS A 8 21.321 -9.700 -12.853 1.00 0.00 C ATOM 134 O CYS A 8 21.952 -9.353 -11.850 1.00 0.00 O ATOM 135 CB CYS A 8 19.563 -8.387 -14.196 1.00 0.00 C ATOM 136 SG CYS A 8 19.686 -9.244 -15.795 1.00 0.00 S ATOM 0 H CYS A 8 20.000 -8.237 -11.216 1.00 0.00 H new ATOM 0 HA CYS A 8 19.322 -10.287 -13.164 1.00 0.00 H new ATOM 0 HB2 CYS A 8 18.571 -7.947 -14.098 1.00 0.00 H new ATOM 0 HB3 CYS A 8 20.280 -7.566 -14.170 1.00 0.00 H new ATOM 0 HG CYS A 8 18.613 -9.951 -15.992 1.00 0.00 H new ATOM 142 N LYS A 9 21.892 -10.399 -13.847 1.00 0.00 N ATOM 143 CA LYS A 9 23.321 -10.797 -13.895 1.00 0.00 C ATOM 144 C LYS A 9 24.269 -9.585 -13.966 1.00 0.00 C ATOM 145 O LYS A 9 23.875 -8.507 -14.399 1.00 0.00 O ATOM 146 CB LYS A 9 23.558 -11.765 -15.080 1.00 0.00 C ATOM 147 CG LYS A 9 22.842 -13.113 -14.891 1.00 0.00 C ATOM 148 CD LYS A 9 23.232 -14.102 -16.001 1.00 0.00 C ATOM 149 CE LYS A 9 22.541 -15.459 -15.796 1.00 0.00 C ATOM 150 NZ LYS A 9 22.953 -16.444 -16.837 1.00 0.00 N ATOM 0 H LYS A 9 21.366 -10.714 -14.662 1.00 0.00 H new ATOM 0 HA LYS A 9 23.554 -11.311 -12.963 1.00 0.00 H new ATOM 0 HB2 LYS A 9 23.210 -11.298 -16.001 1.00 0.00 H new ATOM 0 HB3 LYS A 9 24.628 -11.938 -15.195 1.00 0.00 H new ATOM 0 HG2 LYS A 9 23.099 -13.532 -13.918 1.00 0.00 H new ATOM 0 HG3 LYS A 9 21.763 -12.960 -14.897 1.00 0.00 H new ATOM 0 HD2 LYS A 9 22.955 -13.692 -16.972 1.00 0.00 H new ATOM 0 HD3 LYS A 9 24.313 -14.238 -16.009 1.00 0.00 H new ATOM 0 HE2 LYS A 9 22.787 -15.848 -14.808 1.00 0.00 H new ATOM 0 HE3 LYS A 9 21.460 -15.326 -15.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 22.469 -17.349 -16.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 22.696 -16.083 -17.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 23.982 -16.588 -16.791 1.00 0.00 H new ATOM 164 N ARG A 10 25.543 -9.781 -13.598 1.00 0.00 N ATOM 165 CA ARG A 10 26.545 -8.707 -13.387 1.00 0.00 C ATOM 166 C ARG A 10 26.754 -7.759 -14.578 1.00 0.00 C ATOM 167 O ARG A 10 26.793 -6.545 -14.408 1.00 0.00 O ATOM 168 CB ARG A 10 27.882 -9.350 -12.956 1.00 0.00 C ATOM 169 CG ARG A 10 28.717 -8.363 -12.131 1.00 0.00 C ATOM 170 CD ARG A 10 30.111 -8.909 -11.816 1.00 0.00 C ATOM 171 NE ARG A 10 30.711 -8.180 -10.683 1.00 0.00 N ATOM 172 CZ ARG A 10 31.980 -8.151 -10.318 1.00 0.00 C ATOM 173 NH1 ARG A 10 32.914 -8.772 -10.983 1.00 0.00 N ATOM 174 NH2 ARG A 10 32.330 -7.489 -9.252 1.00 0.00 N ATOM 0 H ARG A 10 25.923 -10.713 -13.432 1.00 0.00 H new ATOM 0 HA ARG A 10 26.144 -8.065 -12.603 1.00 0.00 H new ATOM 0 HB2 ARG A 10 27.687 -10.248 -12.370 1.00 0.00 H new ATOM 0 HB3 ARG A 10 28.443 -9.660 -13.838 1.00 0.00 H new ATOM 0 HG2 ARG A 10 28.811 -7.424 -12.677 1.00 0.00 H new ATOM 0 HG3 ARG A 10 28.197 -8.139 -11.199 1.00 0.00 H new ATOM 0 HD2 ARG A 10 30.046 -9.971 -11.579 1.00 0.00 H new ATOM 0 HD3 ARG A 10 30.750 -8.817 -12.694 1.00 0.00 H new ATOM 0 HE ARG A 10 30.068 -7.632 -10.112 1.00 0.00 H new ATOM 0 HH11 ARG A 10 32.676 -9.306 -11.819 1.00 0.00 H new ATOM 0 HH12 ARG A 10 33.883 -8.724 -10.667 1.00 0.00 H new ATOM 0 HH21 ARG A 10 31.625 -6.996 -8.703 1.00 0.00 H new ATOM 0 HH22 ARG A 10 33.309 -7.464 -8.966 1.00 0.00 H new ATOM 188 N ASN A 11 26.875 -8.321 -15.782 1.00 0.00 N ATOM 189 CA ASN A 11 27.144 -7.556 -17.010 1.00 0.00 C ATOM 190 C ASN A 11 25.874 -6.930 -17.639 1.00 0.00 C ATOM 191 O ASN A 11 25.970 -6.029 -18.474 1.00 0.00 O ATOM 192 CB ASN A 11 27.900 -8.482 -17.981 1.00 0.00 C ATOM 193 CG ASN A 11 28.384 -7.724 -19.207 1.00 0.00 C ATOM 194 OD1 ASN A 11 29.288 -6.901 -19.129 1.00 0.00 O ATOM 195 ND2 ASN A 11 27.775 -7.929 -20.352 1.00 0.00 N ATOM 0 H ASN A 11 26.789 -9.325 -15.938 1.00 0.00 H new ATOM 0 HA ASN A 11 27.761 -6.691 -16.766 1.00 0.00 H new ATOM 0 HB2 ASN A 11 28.751 -8.931 -17.469 1.00 0.00 H new ATOM 0 HB3 ASN A 11 27.247 -9.298 -18.290 1.00 0.00 H new ATOM 0 HD21 ASN A 11 28.054 -7.402 -21.180 1.00 0.00 H new ATOM 0 HD22 ASN A 11 27.023 -8.615 -20.414 1.00 0.00 H new ATOM 202 N SER A 12 24.686 -7.402 -17.245 1.00 0.00 N ATOM 203 CA SER A 12 23.389 -6.983 -17.801 1.00 0.00 C ATOM 204 C SER A 12 22.928 -5.608 -17.299 1.00 0.00 C ATOM 205 O SER A 12 23.239 -5.207 -16.175 1.00 0.00 O ATOM 206 CB SER A 12 22.331 -8.038 -17.475 1.00 0.00 C ATOM 207 OG SER A 12 22.498 -9.170 -18.314 1.00 0.00 O ATOM 0 H SER A 12 24.595 -8.105 -16.511 1.00 0.00 H new ATOM 0 HA SER A 12 23.520 -6.891 -18.879 1.00 0.00 H new ATOM 0 HB2 SER A 12 22.412 -8.335 -16.429 1.00 0.00 H new ATOM 0 HB3 SER A 12 21.334 -7.619 -17.611 1.00 0.00 H new ATOM 0 HG SER A 12 22.367 -9.988 -17.790 1.00 0.00 H new ATOM 213 N CYS A 13 22.127 -4.907 -18.110 1.00 0.00 N ATOM 214 CA CYS A 13 21.453 -3.653 -17.747 1.00 0.00 C ATOM 215 C CYS A 13 19.924 -3.756 -17.616 1.00 0.00 C ATOM 216 O CYS A 13 19.320 -2.808 -17.130 1.00 0.00 O ATOM 217 CB CYS A 13 21.897 -2.531 -18.700 1.00 0.00 C ATOM 218 SG CYS A 13 21.290 -2.806 -20.394 1.00 0.00 S ATOM 0 H CYS A 13 21.923 -5.204 -19.064 1.00 0.00 H new ATOM 0 HA CYS A 13 21.772 -3.406 -16.735 1.00 0.00 H new ATOM 0 HB2 CYS A 13 21.528 -1.574 -18.332 1.00 0.00 H new ATOM 0 HB3 CYS A 13 22.985 -2.471 -18.709 1.00 0.00 H new ATOM 0 HG CYS A 13 21.613 -4.004 -20.782 1.00 0.00 H new ATOM 224 N ARG A 14 19.274 -4.879 -17.967 1.00 0.00 N ATOM 225 CA ARG A 14 17.808 -5.084 -17.856 1.00 0.00 C ATOM 226 C ARG A 14 17.243 -4.721 -16.481 1.00 0.00 C ATOM 227 O ARG A 14 16.181 -4.126 -16.433 1.00 0.00 O ATOM 228 CB ARG A 14 17.465 -6.546 -18.221 1.00 0.00 C ATOM 229 CG ARG A 14 17.507 -6.809 -19.737 1.00 0.00 C ATOM 230 CD ARG A 14 17.519 -8.318 -20.020 1.00 0.00 C ATOM 231 NE ARG A 14 18.807 -8.937 -19.648 1.00 0.00 N ATOM 232 CZ ARG A 14 19.063 -10.235 -19.577 1.00 0.00 C ATOM 233 NH1 ARG A 14 18.159 -11.144 -19.817 1.00 0.00 N ATOM 234 NH2 ARG A 14 20.258 -10.653 -19.278 1.00 0.00 N ATOM 0 H ARG A 14 19.759 -5.692 -18.345 1.00 0.00 H new ATOM 0 HA ARG A 14 17.333 -4.400 -18.560 1.00 0.00 H new ATOM 0 HB2 ARG A 14 18.166 -7.214 -17.722 1.00 0.00 H new ATOM 0 HB3 ARG A 14 16.471 -6.786 -17.843 1.00 0.00 H new ATOM 0 HG2 ARG A 14 16.642 -6.350 -20.216 1.00 0.00 H new ATOM 0 HG3 ARG A 14 18.394 -6.345 -20.168 1.00 0.00 H new ATOM 0 HD2 ARG A 14 16.712 -8.798 -19.466 1.00 0.00 H new ATOM 0 HD3 ARG A 14 17.325 -8.491 -21.079 1.00 0.00 H new ATOM 0 HE ARG A 14 19.574 -8.304 -19.424 1.00 0.00 H new ATOM 0 HH11 ARG A 14 17.211 -10.866 -20.071 1.00 0.00 H new ATOM 0 HH12 ARG A 14 18.400 -12.133 -19.751 1.00 0.00 H new ATOM 0 HH21 ARG A 14 21.003 -9.980 -19.097 1.00 0.00 H new ATOM 0 HH22 ARG A 14 20.450 -11.653 -19.225 1.00 0.00 H new ATOM 248 N SER A 15 17.942 -4.981 -15.379 1.00 0.00 N ATOM 249 CA SER A 15 17.544 -4.533 -14.026 1.00 0.00 C ATOM 250 C SER A 15 17.513 -3.007 -13.894 1.00 0.00 C ATOM 251 O SER A 15 16.501 -2.435 -13.490 1.00 0.00 O ATOM 252 CB SER A 15 18.519 -5.113 -12.998 1.00 0.00 C ATOM 253 OG SER A 15 19.834 -4.941 -13.506 1.00 0.00 O ATOM 0 H SER A 15 18.812 -5.514 -15.389 1.00 0.00 H new ATOM 0 HA SER A 15 16.531 -4.893 -13.847 1.00 0.00 H new ATOM 0 HB2 SER A 15 18.410 -4.606 -12.039 1.00 0.00 H new ATOM 0 HB3 SER A 15 18.310 -6.169 -12.826 1.00 0.00 H new ATOM 0 HG SER A 15 20.482 -5.303 -12.866 1.00 0.00 H new ATOM 259 N GLN A 16 18.600 -2.347 -14.296 1.00 0.00 N ATOM 260 CA GLN A 16 18.718 -0.885 -14.316 1.00 0.00 C ATOM 261 C GLN A 16 17.690 -0.248 -15.267 1.00 0.00 C ATOM 262 O GLN A 16 17.100 0.781 -14.947 1.00 0.00 O ATOM 263 CB GLN A 16 20.145 -0.495 -14.744 1.00 0.00 C ATOM 264 CG GLN A 16 21.254 -0.964 -13.778 1.00 0.00 C ATOM 265 CD GLN A 16 21.334 -0.151 -12.485 1.00 0.00 C ATOM 266 OE1 GLN A 16 20.816 0.951 -12.374 1.00 0.00 O ATOM 267 NE2 GLN A 16 22.020 -0.646 -11.478 1.00 0.00 N ATOM 0 H GLN A 16 19.441 -2.822 -14.624 1.00 0.00 H new ATOM 0 HA GLN A 16 18.516 -0.510 -13.313 1.00 0.00 H new ATOM 0 HB2 GLN A 16 20.341 -0.912 -15.732 1.00 0.00 H new ATOM 0 HB3 GLN A 16 20.198 0.590 -14.839 1.00 0.00 H new ATOM 0 HG2 GLN A 16 21.085 -2.011 -13.527 1.00 0.00 H new ATOM 0 HG3 GLN A 16 22.215 -0.910 -14.290 1.00 0.00 H new ATOM 0 HE21 GLN A 16 22.456 -1.564 -11.560 1.00 0.00 H new ATOM 0 HE22 GLN A 16 22.116 -0.111 -10.615 1.00 0.00 H new ATOM 276 N MET A 17 17.432 -0.876 -16.419 1.00 0.00 N ATOM 277 CA MET A 17 16.484 -0.390 -17.421 1.00 0.00 C ATOM 278 C MET A 17 15.030 -0.607 -16.999 1.00 0.00 C ATOM 279 O MET A 17 14.200 0.282 -17.180 1.00 0.00 O ATOM 280 CB MET A 17 16.786 -1.043 -18.780 1.00 0.00 C ATOM 281 CG MET A 17 16.264 -0.180 -19.931 1.00 0.00 C ATOM 282 SD MET A 17 17.135 1.404 -20.016 1.00 0.00 S ATOM 283 CE MET A 17 15.856 2.586 -19.500 1.00 0.00 C ATOM 0 H MET A 17 17.885 -1.751 -16.684 1.00 0.00 H new ATOM 0 HA MET A 17 16.611 0.689 -17.514 1.00 0.00 H new ATOM 0 HB2 MET A 17 17.861 -1.187 -18.887 1.00 0.00 H new ATOM 0 HB3 MET A 17 16.326 -2.030 -18.823 1.00 0.00 H new ATOM 0 HG2 MET A 17 16.386 -0.715 -20.873 1.00 0.00 H new ATOM 0 HG3 MET A 17 15.196 -0.003 -19.800 1.00 0.00 H new ATOM 0 HE1 MET A 17 16.329 3.491 -19.120 1.00 0.00 H new ATOM 0 HE2 MET A 17 15.227 2.837 -20.354 1.00 0.00 H new ATOM 0 HE3 MET A 17 15.243 2.140 -18.716 1.00 0.00 H new ATOM 293 N ALA A 18 14.734 -1.751 -16.376 1.00 0.00 N ATOM 294 CA ALA A 18 13.440 -1.993 -15.728 1.00 0.00 C ATOM 295 C ALA A 18 13.159 -0.954 -14.631 1.00 0.00 C ATOM 296 O ALA A 18 12.060 -0.406 -14.599 1.00 0.00 O ATOM 297 CB ALA A 18 13.398 -3.434 -15.216 1.00 0.00 C ATOM 0 H ALA A 18 15.383 -2.535 -16.306 1.00 0.00 H new ATOM 0 HA ALA A 18 12.636 -1.872 -16.454 1.00 0.00 H new ATOM 0 HB1 ALA A 18 12.439 -3.621 -14.733 1.00 0.00 H new ATOM 0 HB2 ALA A 18 13.523 -4.121 -16.053 1.00 0.00 H new ATOM 0 HB3 ALA A 18 14.202 -3.588 -14.497 1.00 0.00 H new ATOM 303 N GLU A 19 14.158 -0.590 -13.808 1.00 0.00 N ATOM 304 CA GLU A 19 14.031 0.555 -12.893 1.00 0.00 C ATOM 305 C GLU A 19 13.725 1.831 -13.673 1.00 0.00 C ATOM 306 O GLU A 19 12.735 2.458 -13.342 1.00 0.00 O ATOM 307 CB GLU A 19 15.258 0.726 -11.989 1.00 0.00 C ATOM 308 CG GLU A 19 15.017 1.823 -10.934 1.00 0.00 C ATOM 309 CD GLU A 19 16.246 2.118 -10.050 1.00 0.00 C ATOM 310 OE1 GLU A 19 17.236 1.349 -10.066 1.00 0.00 O ATOM 311 OE2 GLU A 19 16.199 3.111 -9.285 1.00 0.00 O ATOM 0 H GLU A 19 15.057 -1.070 -13.758 1.00 0.00 H new ATOM 0 HA GLU A 19 13.192 0.348 -12.228 1.00 0.00 H new ATOM 0 HB2 GLU A 19 15.483 -0.218 -11.493 1.00 0.00 H new ATOM 0 HB3 GLU A 19 16.127 0.983 -12.594 1.00 0.00 H new ATOM 0 HG2 GLU A 19 14.716 2.741 -11.440 1.00 0.00 H new ATOM 0 HG3 GLU A 19 14.186 1.524 -10.296 1.00 0.00 H new ATOM 318 N GLY A 20 14.454 2.178 -14.740 1.00 0.00 N ATOM 319 CA GLY A 20 14.189 3.395 -15.525 1.00 0.00 C ATOM 320 C GLY A 20 12.744 3.525 -16.025 1.00 0.00 C ATOM 321 O GLY A 20 12.105 4.558 -15.825 1.00 0.00 O ATOM 0 H GLY A 20 15.241 1.628 -15.084 1.00 0.00 H new ATOM 0 HA2 GLY A 20 14.429 4.266 -14.915 1.00 0.00 H new ATOM 0 HA3 GLY A 20 14.861 3.412 -16.383 1.00 0.00 H new ATOM 325 N PHE A 21 12.176 2.466 -16.612 1.00 0.00 N ATOM 326 CA PHE A 21 10.765 2.478 -17.023 1.00 0.00 C ATOM 327 C PHE A 21 9.816 2.530 -15.820 1.00 0.00 C ATOM 328 O PHE A 21 8.882 3.329 -15.808 1.00 0.00 O ATOM 329 CB PHE A 21 10.476 1.298 -17.970 1.00 0.00 C ATOM 330 CG PHE A 21 10.891 1.612 -19.390 1.00 0.00 C ATOM 331 CD1 PHE A 21 10.041 2.388 -20.197 1.00 0.00 C ATOM 332 CD2 PHE A 21 12.141 1.202 -19.882 1.00 0.00 C ATOM 333 CE1 PHE A 21 10.441 2.764 -21.489 1.00 0.00 C ATOM 334 CE2 PHE A 21 12.543 1.575 -21.175 1.00 0.00 C ATOM 335 CZ PHE A 21 11.698 2.367 -21.976 1.00 0.00 C ATOM 0 H PHE A 21 12.666 1.595 -16.813 1.00 0.00 H new ATOM 0 HA PHE A 21 10.575 3.395 -17.580 1.00 0.00 H new ATOM 0 HB2 PHE A 21 11.008 0.412 -17.622 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.412 1.062 -17.945 1.00 0.00 H new ATOM 0 HD1 PHE A 21 9.076 2.696 -19.822 1.00 0.00 H new ATOM 0 HD2 PHE A 21 12.793 0.600 -19.266 1.00 0.00 H new ATOM 0 HE1 PHE A 21 9.784 3.357 -22.108 1.00 0.00 H new ATOM 0 HE2 PHE A 21 13.501 1.254 -21.555 1.00 0.00 H new ATOM 0 HZ PHE A 21 12.015 2.669 -22.963 1.00 0.00 H new ATOM 345 N ALA A 22 10.075 1.761 -14.762 1.00 0.00 N ATOM 346 CA ALA A 22 9.220 1.725 -13.572 1.00 0.00 C ATOM 347 C ALA A 22 9.273 3.024 -12.742 1.00 0.00 C ATOM 348 O ALA A 22 8.259 3.449 -12.201 1.00 0.00 O ATOM 349 CB ALA A 22 9.634 0.480 -12.787 1.00 0.00 C ATOM 0 H ALA A 22 10.885 1.144 -14.705 1.00 0.00 H new ATOM 0 HA ALA A 22 8.169 1.663 -13.855 1.00 0.00 H new ATOM 0 HB1 ALA A 22 9.028 0.400 -11.885 1.00 0.00 H new ATOM 0 HB2 ALA A 22 9.484 -0.406 -13.404 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.686 0.557 -12.512 1.00 0.00 H new ATOM 355 N LYS A 23 10.414 3.709 -12.732 1.00 0.00 N ATOM 356 CA LYS A 23 10.687 5.036 -12.167 1.00 0.00 C ATOM 357 C LYS A 23 9.917 6.153 -12.879 1.00 0.00 C ATOM 358 O LYS A 23 9.553 7.142 -12.253 1.00 0.00 O ATOM 359 CB LYS A 23 12.216 5.184 -12.307 1.00 0.00 C ATOM 360 CG LYS A 23 12.875 6.485 -11.894 1.00 0.00 C ATOM 361 CD LYS A 23 12.573 6.899 -10.450 1.00 0.00 C ATOM 362 CE LYS A 23 13.352 8.190 -10.190 1.00 0.00 C ATOM 363 NZ LYS A 23 13.137 8.715 -8.809 1.00 0.00 N ATOM 0 H LYS A 23 11.252 3.315 -13.159 1.00 0.00 H new ATOM 0 HA LYS A 23 10.354 5.123 -11.133 1.00 0.00 H new ATOM 0 HB2 LYS A 23 12.677 4.384 -11.727 1.00 0.00 H new ATOM 0 HB3 LYS A 23 12.468 5.006 -13.352 1.00 0.00 H new ATOM 0 HG2 LYS A 23 13.954 6.390 -12.017 1.00 0.00 H new ATOM 0 HG3 LYS A 23 12.546 7.278 -12.566 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.504 7.057 -10.308 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.875 6.118 -9.752 1.00 0.00 H new ATOM 0 HE2 LYS A 23 14.415 8.007 -10.345 1.00 0.00 H new ATOM 0 HE3 LYS A 23 13.050 8.946 -10.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 13.685 9.590 -8.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 12.126 8.916 -8.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 13.450 8.006 -8.115 1.00 0.00 H new ATOM 377 N THR A 24 9.626 5.967 -14.171 1.00 0.00 N ATOM 378 CA THR A 24 8.847 6.922 -14.984 1.00 0.00 C ATOM 379 C THR A 24 7.339 6.620 -14.945 1.00 0.00 C ATOM 380 O THR A 24 6.530 7.527 -14.761 1.00 0.00 O ATOM 381 CB THR A 24 9.358 6.939 -16.436 1.00 0.00 C ATOM 382 OG1 THR A 24 10.766 7.080 -16.481 1.00 0.00 O ATOM 383 CG2 THR A 24 8.795 8.116 -17.233 1.00 0.00 C ATOM 0 H THR A 24 9.925 5.143 -14.692 1.00 0.00 H new ATOM 0 HA THR A 24 8.990 7.911 -14.548 1.00 0.00 H new ATOM 0 HB THR A 24 9.033 5.992 -16.867 1.00 0.00 H new ATOM 0 HG1 THR A 24 11.188 6.229 -16.241 1.00 0.00 H new ATOM 0 HG21 THR A 24 9.184 8.085 -18.251 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.707 8.051 -17.258 1.00 0.00 H new ATOM 0 HG23 THR A 24 9.092 9.052 -16.759 1.00 0.00 H new ATOM 391 N LEU A 25 6.947 5.346 -15.099 1.00 0.00 N ATOM 392 CA LEU A 25 5.541 4.924 -15.293 1.00 0.00 C ATOM 393 C LEU A 25 4.843 4.512 -13.987 1.00 0.00 C ATOM 394 O LEU A 25 3.646 4.732 -13.819 1.00 0.00 O ATOM 395 CB LEU A 25 5.501 3.773 -16.319 1.00 0.00 C ATOM 396 CG LEU A 25 6.170 4.098 -17.664 1.00 0.00 C ATOM 397 CD1 LEU A 25 6.142 2.867 -18.561 1.00 0.00 C ATOM 398 CD2 LEU A 25 5.492 5.249 -18.405 1.00 0.00 C ATOM 0 H LEU A 25 7.603 4.565 -15.093 1.00 0.00 H new ATOM 0 HA LEU A 25 4.987 5.785 -15.666 1.00 0.00 H new ATOM 0 HB2 LEU A 25 5.989 2.900 -15.886 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.461 3.500 -16.501 1.00 0.00 H new ATOM 0 HG LEU A 25 7.192 4.401 -17.438 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.617 3.100 -19.514 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.680 2.052 -18.077 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.109 2.567 -18.735 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.010 5.431 -19.347 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.453 4.990 -18.607 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.529 6.149 -17.791 1.00 0.00 H new ATOM 410 N GLY A 26 5.613 3.955 -13.048 1.00 0.00 N ATOM 411 CA GLY A 26 5.205 3.683 -11.664 1.00 0.00 C ATOM 412 C GLY A 26 5.328 4.879 -10.732 1.00 0.00 C ATOM 413 O GLY A 26 5.033 4.732 -9.548 1.00 0.00 O ATOM 0 H GLY A 26 6.574 3.670 -13.237 1.00 0.00 H new ATOM 0 HA2 GLY A 26 4.170 3.340 -11.663 1.00 0.00 H new ATOM 0 HA3 GLY A 26 5.812 2.867 -11.272 1.00 0.00 H new ATOM 417 N ALA A 27 5.750 6.044 -11.241 1.00 0.00 N ATOM 418 CA ALA A 27 5.849 7.277 -10.446 1.00 0.00 C ATOM 419 C ALA A 27 4.534 7.563 -9.681 1.00 0.00 C ATOM 420 O ALA A 27 3.475 7.752 -10.283 1.00 0.00 O ATOM 421 CB ALA A 27 6.226 8.443 -11.373 1.00 0.00 C ATOM 0 H ALA A 27 6.032 6.159 -12.214 1.00 0.00 H new ATOM 0 HA ALA A 27 6.627 7.155 -9.693 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.301 9.361 -10.791 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.185 8.235 -11.848 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.460 8.561 -12.139 1.00 0.00 H new ATOM 427 N GLY A 28 4.603 7.572 -8.344 1.00 0.00 N ATOM 428 CA GLY A 28 3.443 7.774 -7.460 1.00 0.00 C ATOM 429 C GLY A 28 2.493 6.569 -7.322 1.00 0.00 C ATOM 430 O GLY A 28 1.370 6.743 -6.849 1.00 0.00 O ATOM 0 H GLY A 28 5.477 7.437 -7.836 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.807 8.042 -6.468 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.871 8.625 -7.830 1.00 0.00 H new ATOM 434 N LYS A 29 2.914 5.354 -7.724 1.00 0.00 N ATOM 435 CA LYS A 29 2.124 4.106 -7.636 1.00 0.00 C ATOM 436 C LYS A 29 2.864 3.028 -6.852 1.00 0.00 C ATOM 437 O LYS A 29 2.263 2.313 -6.058 1.00 0.00 O ATOM 438 CB LYS A 29 1.789 3.586 -9.046 1.00 0.00 C ATOM 439 CG LYS A 29 0.913 4.570 -9.842 1.00 0.00 C ATOM 440 CD LYS A 29 0.482 4.049 -11.226 1.00 0.00 C ATOM 441 CE LYS A 29 -0.372 2.764 -11.204 1.00 0.00 C ATOM 442 NZ LYS A 29 -1.733 2.970 -10.623 1.00 0.00 N ATOM 0 H LYS A 29 3.838 5.207 -8.130 1.00 0.00 H new ATOM 0 HA LYS A 29 1.201 4.338 -7.105 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.714 3.404 -9.592 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.273 2.629 -8.964 1.00 0.00 H new ATOM 0 HG2 LYS A 29 0.022 4.800 -9.258 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.460 5.504 -9.971 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -0.081 4.833 -11.733 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.376 3.863 -11.822 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -0.472 2.385 -12.221 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.149 1.999 -10.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -2.026 2.112 -10.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -1.711 3.774 -9.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -2.410 3.167 -11.387 1.00 0.00 H new ATOM 456 N ILE A 30 4.173 2.941 -7.077 1.00 0.00 N ATOM 457 CA ILE A 30 5.123 2.128 -6.312 1.00 0.00 C ATOM 458 C ILE A 30 6.486 2.828 -6.178 1.00 0.00 C ATOM 459 O ILE A 30 6.791 3.775 -6.903 1.00 0.00 O ATOM 460 CB ILE A 30 5.276 0.707 -6.911 1.00 0.00 C ATOM 461 CG1 ILE A 30 5.338 0.576 -8.448 1.00 0.00 C ATOM 462 CG2 ILE A 30 4.168 -0.225 -6.397 1.00 0.00 C ATOM 463 CD1 ILE A 30 6.636 1.123 -9.043 1.00 0.00 C ATOM 0 H ILE A 30 4.624 3.458 -7.832 1.00 0.00 H new ATOM 0 HA ILE A 30 4.712 2.015 -5.309 1.00 0.00 H new ATOM 0 HB ILE A 30 6.268 0.420 -6.562 1.00 0.00 H new ATOM 0 HG12 ILE A 30 5.233 -0.474 -8.722 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.492 1.106 -8.887 1.00 0.00 H new ATOM 0 HG21 ILE A 30 4.296 -1.217 -6.831 1.00 0.00 H new ATOM 0 HG22 ILE A 30 4.226 -0.294 -5.311 1.00 0.00 H new ATOM 0 HG23 ILE A 30 3.195 0.174 -6.684 1.00 0.00 H new ATOM 0 HD11 ILE A 30 6.619 1.002 -10.126 1.00 0.00 H new ATOM 0 HD12 ILE A 30 6.732 2.181 -8.797 1.00 0.00 H new ATOM 0 HD13 ILE A 30 7.484 0.577 -8.630 1.00 0.00 H new ATOM 475 N ALA A 31 7.306 2.340 -5.247 1.00 0.00 N ATOM 476 CA ALA A 31 8.718 2.716 -5.121 1.00 0.00 C ATOM 477 C ALA A 31 9.568 1.734 -5.945 1.00 0.00 C ATOM 478 O ALA A 31 9.153 0.594 -6.158 1.00 0.00 O ATOM 479 CB ALA A 31 9.105 2.769 -3.635 1.00 0.00 C ATOM 0 H ALA A 31 7.005 1.662 -4.547 1.00 0.00 H new ATOM 0 HA ALA A 31 8.901 3.713 -5.521 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.154 3.048 -3.542 1.00 0.00 H new ATOM 0 HB2 ALA A 31 8.486 3.507 -3.124 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.949 1.789 -3.183 1.00 0.00 H new ATOM 485 N VAL A 32 10.749 2.140 -6.413 1.00 0.00 N ATOM 486 CA VAL A 32 11.615 1.307 -7.277 1.00 0.00 C ATOM 487 C VAL A 32 13.097 1.393 -6.914 1.00 0.00 C ATOM 488 O VAL A 32 13.589 2.444 -6.505 1.00 0.00 O ATOM 489 CB VAL A 32 11.454 1.637 -8.772 1.00 0.00 C ATOM 490 CG1 VAL A 32 10.025 1.408 -9.254 1.00 0.00 C ATOM 491 CG2 VAL A 32 11.820 3.076 -9.134 1.00 0.00 C ATOM 0 H VAL A 32 11.142 3.059 -6.208 1.00 0.00 H new ATOM 0 HA VAL A 32 11.273 0.288 -7.094 1.00 0.00 H new ATOM 0 HB VAL A 32 12.151 0.958 -9.264 1.00 0.00 H new ATOM 0 HG11 VAL A 32 9.955 1.653 -10.314 1.00 0.00 H new ATOM 0 HG12 VAL A 32 9.754 0.363 -9.104 1.00 0.00 H new ATOM 0 HG13 VAL A 32 9.344 2.044 -8.689 1.00 0.00 H new ATOM 0 HG21 VAL A 32 11.680 3.229 -10.204 1.00 0.00 H new ATOM 0 HG22 VAL A 32 11.180 3.764 -8.582 1.00 0.00 H new ATOM 0 HG23 VAL A 32 12.862 3.263 -8.874 1.00 0.00 H new ATOM 501 N THR A 33 13.807 0.283 -7.120 1.00 0.00 N ATOM 502 CA THR A 33 15.268 0.156 -6.999 1.00 0.00 C ATOM 503 C THR A 33 15.746 -0.958 -7.933 1.00 0.00 C ATOM 504 O THR A 33 14.953 -1.812 -8.336 1.00 0.00 O ATOM 505 CB THR A 33 15.670 -0.177 -5.547 1.00 0.00 C ATOM 506 OG1 THR A 33 15.016 0.673 -4.625 1.00 0.00 O ATOM 507 CG2 THR A 33 17.163 -0.043 -5.245 1.00 0.00 C ATOM 0 H THR A 33 13.363 -0.595 -7.388 1.00 0.00 H new ATOM 0 HA THR A 33 15.732 1.103 -7.274 1.00 0.00 H new ATOM 0 HB THR A 33 15.377 -1.222 -5.441 1.00 0.00 H new ATOM 0 HG1 THR A 33 15.503 0.669 -3.774 1.00 0.00 H new ATOM 0 HG21 THR A 33 17.347 -0.297 -4.201 1.00 0.00 H new ATOM 0 HG22 THR A 33 17.726 -0.719 -5.888 1.00 0.00 H new ATOM 0 HG23 THR A 33 17.481 0.983 -5.430 1.00 0.00 H new ATOM 515 N SER A 34 17.030 -0.993 -8.277 1.00 0.00 N ATOM 516 CA SER A 34 17.645 -2.123 -8.984 1.00 0.00 C ATOM 517 C SER A 34 18.992 -2.528 -8.388 1.00 0.00 C ATOM 518 O SER A 34 19.672 -1.739 -7.729 1.00 0.00 O ATOM 519 CB SER A 34 17.765 -1.871 -10.487 1.00 0.00 C ATOM 520 OG SER A 34 18.565 -0.750 -10.774 1.00 0.00 O ATOM 0 H SER A 34 17.682 -0.235 -8.074 1.00 0.00 H new ATOM 0 HA SER A 34 16.965 -2.964 -8.844 1.00 0.00 H new ATOM 0 HB2 SER A 34 18.190 -2.752 -10.969 1.00 0.00 H new ATOM 0 HB3 SER A 34 16.771 -1.724 -10.910 1.00 0.00 H new ATOM 0 HG SER A 34 18.188 0.042 -10.336 1.00 0.00 H new ATOM 526 N CYS A 35 19.351 -3.795 -8.599 1.00 0.00 N ATOM 527 CA CYS A 35 20.539 -4.414 -8.022 1.00 0.00 C ATOM 528 C CYS A 35 21.065 -5.520 -8.947 1.00 0.00 C ATOM 529 O CYS A 35 20.310 -6.391 -9.378 1.00 0.00 O ATOM 530 CB CYS A 35 20.131 -4.936 -6.629 1.00 0.00 C ATOM 531 SG CYS A 35 21.299 -6.185 -6.026 1.00 0.00 S ATOM 0 H CYS A 35 18.812 -4.430 -9.188 1.00 0.00 H new ATOM 0 HA CYS A 35 21.361 -3.706 -7.916 1.00 0.00 H new ATOM 0 HB2 CYS A 35 20.088 -4.105 -5.925 1.00 0.00 H new ATOM 0 HB3 CYS A 35 19.130 -5.364 -6.678 1.00 0.00 H new ATOM 0 HG CYS A 35 22.478 -5.652 -5.902 1.00 0.00 H new ATOM 537 N GLY A 36 22.359 -5.501 -9.264 1.00 0.00 N ATOM 538 CA GLY A 36 23.008 -6.627 -9.946 1.00 0.00 C ATOM 539 C GLY A 36 23.414 -7.667 -8.906 1.00 0.00 C ATOM 540 O GLY A 36 23.874 -7.294 -7.827 1.00 0.00 O ATOM 0 H GLY A 36 22.982 -4.719 -9.061 1.00 0.00 H new ATOM 0 HA2 GLY A 36 22.329 -7.068 -10.675 1.00 0.00 H new ATOM 0 HA3 GLY A 36 23.884 -6.281 -10.495 1.00 0.00 H new ATOM 544 N LEU A 37 23.285 -8.964 -9.201 1.00 0.00 N ATOM 545 CA LEU A 37 23.560 -10.025 -8.209 1.00 0.00 C ATOM 546 C LEU A 37 24.979 -9.912 -7.599 1.00 0.00 C ATOM 547 O LEU A 37 25.148 -10.108 -6.396 1.00 0.00 O ATOM 548 CB LEU A 37 23.296 -11.408 -8.844 1.00 0.00 C ATOM 549 CG LEU A 37 21.867 -11.946 -8.618 1.00 0.00 C ATOM 550 CD1 LEU A 37 20.750 -11.049 -9.159 1.00 0.00 C ATOM 551 CD2 LEU A 37 21.725 -13.309 -9.293 1.00 0.00 C ATOM 0 H LEU A 37 22.993 -9.311 -10.115 1.00 0.00 H new ATOM 0 HA LEU A 37 22.877 -9.897 -7.369 1.00 0.00 H new ATOM 0 HB2 LEU A 37 23.483 -11.345 -9.916 1.00 0.00 H new ATOM 0 HB3 LEU A 37 24.010 -12.124 -8.438 1.00 0.00 H new ATOM 0 HG LEU A 37 21.748 -11.994 -7.536 1.00 0.00 H new ATOM 0 HD11 LEU A 37 19.783 -11.508 -8.954 1.00 0.00 H new ATOM 0 HD12 LEU A 37 20.799 -10.074 -8.674 1.00 0.00 H new ATOM 0 HD13 LEU A 37 20.872 -10.925 -10.235 1.00 0.00 H new ATOM 0 HD21 LEU A 37 20.716 -13.690 -9.134 1.00 0.00 H new ATOM 0 HD22 LEU A 37 21.910 -13.207 -10.362 1.00 0.00 H new ATOM 0 HD23 LEU A 37 22.447 -14.004 -8.865 1.00 0.00 H new ATOM 563 N GLU A 38 25.960 -9.472 -8.398 1.00 0.00 N ATOM 564 CA GLU A 38 27.321 -9.088 -7.970 1.00 0.00 C ATOM 565 C GLU A 38 27.642 -7.632 -8.386 1.00 0.00 C ATOM 566 O GLU A 38 28.753 -7.334 -8.830 1.00 0.00 O ATOM 567 CB GLU A 38 28.348 -10.109 -8.503 1.00 0.00 C ATOM 568 CG GLU A 38 28.114 -11.528 -7.968 1.00 0.00 C ATOM 569 CD GLU A 38 29.243 -12.473 -8.422 1.00 0.00 C ATOM 570 OE1 GLU A 38 29.129 -13.091 -9.510 1.00 0.00 O ATOM 571 OE2 GLU A 38 30.250 -12.617 -7.688 1.00 0.00 O ATOM 0 H GLU A 38 25.826 -9.368 -9.404 1.00 0.00 H new ATOM 0 HA GLU A 38 27.379 -9.111 -6.882 1.00 0.00 H new ATOM 0 HB2 GLU A 38 28.305 -10.125 -9.592 1.00 0.00 H new ATOM 0 HB3 GLU A 38 29.352 -9.784 -8.229 1.00 0.00 H new ATOM 0 HG2 GLU A 38 28.065 -11.508 -6.879 1.00 0.00 H new ATOM 0 HG3 GLU A 38 27.154 -11.903 -8.324 1.00 0.00 H new ATOM 578 N SER A 39 26.670 -6.719 -8.234 1.00 0.00 N ATOM 579 CA SER A 39 26.662 -5.341 -8.771 1.00 0.00 C ATOM 580 C SER A 39 26.443 -5.293 -10.295 1.00 0.00 C ATOM 581 O SER A 39 26.424 -6.328 -10.958 1.00 0.00 O ATOM 582 CB SER A 39 27.893 -4.543 -8.313 1.00 0.00 C ATOM 583 OG SER A 39 27.646 -3.160 -8.482 1.00 0.00 O ATOM 0 H SER A 39 25.823 -6.929 -7.706 1.00 0.00 H new ATOM 0 HA SER A 39 25.793 -4.842 -8.342 1.00 0.00 H new ATOM 0 HB2 SER A 39 28.112 -4.759 -7.267 1.00 0.00 H new ATOM 0 HB3 SER A 39 28.768 -4.841 -8.890 1.00 0.00 H new ATOM 0 HG SER A 39 28.429 -2.650 -8.189 1.00 0.00 H new ATOM 589 N SER A 40 26.187 -4.105 -10.854 1.00 0.00 N ATOM 590 CA SER A 40 25.899 -3.868 -12.286 1.00 0.00 C ATOM 591 C SER A 40 26.177 -2.412 -12.707 1.00 0.00 C ATOM 592 O SER A 40 26.458 -1.558 -11.864 1.00 0.00 O ATOM 593 CB SER A 40 24.449 -4.259 -12.623 1.00 0.00 C ATOM 594 OG SER A 40 23.508 -3.527 -11.843 1.00 0.00 O ATOM 0 H SER A 40 26.173 -3.245 -10.306 1.00 0.00 H new ATOM 0 HA SER A 40 26.578 -4.503 -12.855 1.00 0.00 H new ATOM 0 HB2 SER A 40 24.261 -4.080 -13.682 1.00 0.00 H new ATOM 0 HB3 SER A 40 24.311 -5.327 -12.451 1.00 0.00 H new ATOM 0 HG SER A 40 22.875 -4.148 -11.426 1.00 0.00 H new ATOM 600 N ARG A 41 26.106 -2.120 -14.017 1.00 0.00 N ATOM 601 CA ARG A 41 26.436 -0.806 -14.622 1.00 0.00 C ATOM 602 C ARG A 41 25.329 -0.213 -15.492 1.00 0.00 C ATOM 603 O ARG A 41 24.425 -0.914 -15.944 1.00 0.00 O ATOM 604 CB ARG A 41 27.784 -0.906 -15.377 1.00 0.00 C ATOM 605 CG ARG A 41 27.745 -1.803 -16.632 1.00 0.00 C ATOM 606 CD ARG A 41 29.124 -1.884 -17.304 1.00 0.00 C ATOM 607 NE ARG A 41 29.243 -3.067 -18.182 1.00 0.00 N ATOM 608 CZ ARG A 41 28.801 -3.213 -19.420 1.00 0.00 C ATOM 609 NH1 ARG A 41 28.115 -2.322 -20.062 1.00 0.00 N ATOM 610 NH2 ARG A 41 29.018 -4.299 -20.087 1.00 0.00 N ATOM 0 H ARG A 41 25.809 -2.808 -14.709 1.00 0.00 H new ATOM 0 HA ARG A 41 26.533 -0.095 -13.801 1.00 0.00 H new ATOM 0 HB2 ARG A 41 28.098 0.096 -15.671 1.00 0.00 H new ATOM 0 HB3 ARG A 41 28.542 -1.290 -14.694 1.00 0.00 H new ATOM 0 HG2 ARG A 41 27.413 -2.804 -16.356 1.00 0.00 H new ATOM 0 HG3 ARG A 41 27.016 -1.410 -17.340 1.00 0.00 H new ATOM 0 HD2 ARG A 41 29.296 -0.980 -17.888 1.00 0.00 H new ATOM 0 HD3 ARG A 41 29.899 -1.921 -16.538 1.00 0.00 H new ATOM 0 HE ARG A 41 29.727 -3.872 -17.783 1.00 0.00 H new ATOM 0 HH11 ARG A 41 27.882 -1.436 -19.613 1.00 0.00 H new ATOM 0 HH12 ARG A 41 27.808 -2.506 -21.017 1.00 0.00 H new ATOM 0 HH21 ARG A 41 29.539 -5.065 -19.660 1.00 0.00 H new ATOM 0 HH22 ARG A 41 28.668 -4.390 -21.041 1.00 0.00 H new ATOM 624 N VAL A 42 25.453 1.090 -15.745 1.00 0.00 N ATOM 625 CA VAL A 42 24.640 1.860 -16.698 1.00 0.00 C ATOM 626 C VAL A 42 25.550 2.513 -17.746 1.00 0.00 C ATOM 627 O VAL A 42 26.400 3.340 -17.420 1.00 0.00 O ATOM 628 CB VAL A 42 23.720 2.872 -15.978 1.00 0.00 C ATOM 629 CG1 VAL A 42 22.626 2.135 -15.200 1.00 0.00 C ATOM 630 CG2 VAL A 42 24.398 3.841 -15.001 1.00 0.00 C ATOM 0 H VAL A 42 26.151 1.666 -15.274 1.00 0.00 H new ATOM 0 HA VAL A 42 23.968 1.181 -17.223 1.00 0.00 H new ATOM 0 HB VAL A 42 23.331 3.479 -16.796 1.00 0.00 H new ATOM 0 HG11 VAL A 42 21.985 2.860 -14.698 1.00 0.00 H new ATOM 0 HG12 VAL A 42 22.028 1.539 -15.889 1.00 0.00 H new ATOM 0 HG13 VAL A 42 23.085 1.481 -14.458 1.00 0.00 H new ATOM 0 HG21 VAL A 42 23.648 4.498 -14.561 1.00 0.00 H new ATOM 0 HG22 VAL A 42 24.892 3.275 -14.211 1.00 0.00 H new ATOM 0 HG23 VAL A 42 25.136 4.439 -15.535 1.00 0.00 H new ATOM 640 N HIS A 43 25.398 2.115 -19.011 1.00 0.00 N ATOM 641 CA HIS A 43 26.212 2.620 -20.134 1.00 0.00 C ATOM 642 C HIS A 43 25.609 3.902 -20.732 1.00 0.00 C ATOM 643 O HIS A 43 24.384 3.993 -20.809 1.00 0.00 O ATOM 644 CB HIS A 43 26.427 1.545 -21.228 1.00 0.00 C ATOM 645 CG HIS A 43 25.520 0.342 -21.198 1.00 0.00 C ATOM 646 ND1 HIS A 43 25.626 -0.710 -20.290 1.00 0.00 N ATOM 647 CD2 HIS A 43 24.530 0.057 -22.093 1.00 0.00 C ATOM 648 CE1 HIS A 43 24.720 -1.620 -20.676 1.00 0.00 C ATOM 649 NE2 HIS A 43 24.038 -1.183 -21.746 1.00 0.00 N ATOM 0 H HIS A 43 24.701 1.426 -19.294 1.00 0.00 H new ATOM 0 HA HIS A 43 27.192 2.867 -19.727 1.00 0.00 H new ATOM 0 HB2 HIS A 43 26.319 2.026 -22.200 1.00 0.00 H new ATOM 0 HB3 HIS A 43 27.457 1.194 -21.159 1.00 0.00 H new ATOM 0 HD2 HIS A 43 24.198 0.679 -22.911 1.00 0.00 H new ATOM 0 HE1 HIS A 43 24.561 -2.573 -20.193 1.00 0.00 H new ATOM 0 HE2 HIS A 43 23.286 -1.682 -22.220 1.00 0.00 H new ATOM 657 N PRO A 44 26.416 4.845 -21.265 1.00 0.00 N ATOM 658 CA PRO A 44 25.913 6.064 -21.915 1.00 0.00 C ATOM 659 C PRO A 44 24.891 5.797 -23.029 1.00 0.00 C ATOM 660 O PRO A 44 23.885 6.501 -23.126 1.00 0.00 O ATOM 661 CB PRO A 44 27.159 6.783 -22.447 1.00 0.00 C ATOM 662 CG PRO A 44 28.246 6.347 -21.469 1.00 0.00 C ATOM 663 CD PRO A 44 27.872 4.896 -21.182 1.00 0.00 C ATOM 0 HA PRO A 44 25.358 6.671 -21.199 1.00 0.00 H new ATOM 0 HB2 PRO A 44 27.392 6.485 -23.469 1.00 0.00 H new ATOM 0 HB3 PRO A 44 27.030 7.865 -22.452 1.00 0.00 H new ATOM 0 HG2 PRO A 44 29.241 6.430 -21.905 1.00 0.00 H new ATOM 0 HG3 PRO A 44 28.243 6.953 -20.563 1.00 0.00 H new ATOM 0 HD2 PRO A 44 28.330 4.222 -21.906 1.00 0.00 H new ATOM 0 HD3 PRO A 44 28.220 4.589 -20.196 1.00 0.00 H new ATOM 671 N THR A 45 25.060 4.711 -23.791 1.00 0.00 N ATOM 672 CA THR A 45 24.090 4.266 -24.812 1.00 0.00 C ATOM 673 C THR A 45 22.727 3.933 -24.203 1.00 0.00 C ATOM 674 O THR A 45 21.706 4.315 -24.763 1.00 0.00 O ATOM 675 CB THR A 45 24.642 3.061 -25.606 1.00 0.00 C ATOM 676 OG1 THR A 45 25.945 3.369 -26.062 1.00 0.00 O ATOM 677 CG2 THR A 45 23.801 2.709 -26.837 1.00 0.00 C ATOM 0 H THR A 45 25.879 4.107 -23.720 1.00 0.00 H new ATOM 0 HA THR A 45 23.943 5.098 -25.500 1.00 0.00 H new ATOM 0 HB THR A 45 24.625 2.209 -24.927 1.00 0.00 H new ATOM 0 HG1 THR A 45 26.304 2.609 -26.566 1.00 0.00 H new ATOM 0 HG21 THR A 45 24.244 1.855 -27.348 1.00 0.00 H new ATOM 0 HG22 THR A 45 22.787 2.459 -26.525 1.00 0.00 H new ATOM 0 HG23 THR A 45 23.773 3.562 -27.514 1.00 0.00 H new ATOM 685 N ALA A 46 22.675 3.320 -23.013 1.00 0.00 N ATOM 686 CA ALA A 46 21.409 3.058 -22.321 1.00 0.00 C ATOM 687 C ALA A 46 20.782 4.318 -21.698 1.00 0.00 C ATOM 688 O ALA A 46 19.609 4.302 -21.350 1.00 0.00 O ATOM 689 CB ALA A 46 21.604 1.945 -21.280 1.00 0.00 C ATOM 0 H ALA A 46 23.500 2.995 -22.509 1.00 0.00 H new ATOM 0 HA ALA A 46 20.693 2.723 -23.071 1.00 0.00 H new ATOM 0 HB1 ALA A 46 20.660 1.755 -20.769 1.00 0.00 H new ATOM 0 HB2 ALA A 46 21.936 1.035 -21.779 1.00 0.00 H new ATOM 0 HB3 ALA A 46 22.354 2.255 -20.552 1.00 0.00 H new ATOM 695 N ILE A 47 21.528 5.415 -21.572 1.00 0.00 N ATOM 696 CA ILE A 47 20.949 6.716 -21.213 1.00 0.00 C ATOM 697 C ILE A 47 20.326 7.300 -22.496 1.00 0.00 C ATOM 698 O ILE A 47 19.121 7.541 -22.568 1.00 0.00 O ATOM 699 CB ILE A 47 21.998 7.661 -20.570 1.00 0.00 C ATOM 700 CG1 ILE A 47 22.826 6.956 -19.467 1.00 0.00 C ATOM 701 CG2 ILE A 47 21.268 8.885 -19.991 1.00 0.00 C ATOM 702 CD1 ILE A 47 23.955 7.811 -18.876 1.00 0.00 C ATOM 0 H ILE A 47 22.538 5.432 -21.713 1.00 0.00 H new ATOM 0 HA ILE A 47 20.181 6.598 -20.449 1.00 0.00 H new ATOM 0 HB ILE A 47 22.704 7.969 -21.342 1.00 0.00 H new ATOM 0 HG12 ILE A 47 22.155 6.656 -18.662 1.00 0.00 H new ATOM 0 HG13 ILE A 47 23.256 6.044 -19.880 1.00 0.00 H new ATOM 0 HG21 ILE A 47 21.993 9.559 -19.535 1.00 0.00 H new ATOM 0 HG22 ILE A 47 20.741 9.406 -20.790 1.00 0.00 H new ATOM 0 HG23 ILE A 47 20.552 8.558 -19.237 1.00 0.00 H new ATOM 0 HD11 ILE A 47 24.482 7.240 -18.112 1.00 0.00 H new ATOM 0 HD12 ILE A 47 24.652 8.090 -19.666 1.00 0.00 H new ATOM 0 HD13 ILE A 47 23.534 8.712 -18.429 1.00 0.00 H new ATOM 714 N ALA A 48 21.117 7.413 -23.566 1.00 0.00 N ATOM 715 CA ALA A 48 20.743 8.135 -24.786 1.00 0.00 C ATOM 716 C ALA A 48 19.635 7.448 -25.609 1.00 0.00 C ATOM 717 O ALA A 48 18.778 8.124 -26.177 1.00 0.00 O ATOM 718 CB ALA A 48 22.009 8.346 -25.624 1.00 0.00 C ATOM 0 H ALA A 48 22.049 7.000 -23.610 1.00 0.00 H new ATOM 0 HA ALA A 48 20.310 9.091 -24.489 1.00 0.00 H new ATOM 0 HB1 ALA A 48 21.755 8.882 -26.538 1.00 0.00 H new ATOM 0 HB2 ALA A 48 22.732 8.927 -25.051 1.00 0.00 H new ATOM 0 HB3 ALA A 48 22.442 7.379 -25.879 1.00 0.00 H new ATOM 724 N MET A 49 19.593 6.109 -25.612 1.00 0.00 N ATOM 725 CA MET A 49 18.542 5.314 -26.273 1.00 0.00 C ATOM 726 C MET A 49 17.178 5.385 -25.564 1.00 0.00 C ATOM 727 O MET A 49 16.186 4.874 -26.089 1.00 0.00 O ATOM 728 CB MET A 49 19.001 3.852 -26.413 1.00 0.00 C ATOM 729 CG MET A 49 20.163 3.660 -27.396 1.00 0.00 C ATOM 730 SD MET A 49 19.756 3.990 -29.135 1.00 0.00 S ATOM 731 CE MET A 49 20.495 5.636 -29.331 1.00 0.00 C ATOM 0 H MET A 49 20.298 5.536 -25.149 1.00 0.00 H new ATOM 0 HA MET A 49 18.392 5.754 -27.259 1.00 0.00 H new ATOM 0 HB2 MET A 49 19.301 3.480 -25.433 1.00 0.00 H new ATOM 0 HB3 MET A 49 18.156 3.245 -26.740 1.00 0.00 H new ATOM 0 HG2 MET A 49 20.983 4.314 -27.099 1.00 0.00 H new ATOM 0 HG3 MET A 49 20.526 2.636 -27.311 1.00 0.00 H new ATOM 0 HE1 MET A 49 20.088 6.114 -30.222 1.00 0.00 H new ATOM 0 HE2 MET A 49 20.265 6.245 -28.456 1.00 0.00 H new ATOM 0 HE3 MET A 49 21.576 5.540 -29.432 1.00 0.00 H new ATOM 741 N MET A 50 17.121 6.001 -24.379 1.00 0.00 N ATOM 742 CA MET A 50 15.960 5.970 -23.477 1.00 0.00 C ATOM 743 C MET A 50 15.486 7.381 -23.100 1.00 0.00 C ATOM 744 O MET A 50 14.289 7.592 -22.919 1.00 0.00 O ATOM 745 CB MET A 50 16.318 5.116 -22.250 1.00 0.00 C ATOM 746 CG MET A 50 17.011 3.793 -22.609 1.00 0.00 C ATOM 747 SD MET A 50 16.024 2.580 -23.517 1.00 0.00 S ATOM 748 CE MET A 50 17.303 1.317 -23.779 1.00 0.00 C ATOM 0 H MET A 50 17.898 6.549 -24.009 1.00 0.00 H new ATOM 0 HA MET A 50 15.112 5.513 -23.988 1.00 0.00 H new ATOM 0 HB2 MET A 50 16.969 5.692 -21.593 1.00 0.00 H new ATOM 0 HB3 MET A 50 15.409 4.901 -21.689 1.00 0.00 H new ATOM 0 HG2 MET A 50 17.897 4.023 -23.201 1.00 0.00 H new ATOM 0 HG3 MET A 50 17.356 3.328 -21.686 1.00 0.00 H new ATOM 0 HE1 MET A 50 17.026 0.689 -24.626 1.00 0.00 H new ATOM 0 HE2 MET A 50 18.257 1.802 -23.983 1.00 0.00 H new ATOM 0 HE3 MET A 50 17.394 0.700 -22.885 1.00 0.00 H new ATOM 758 N GLU A 51 16.370 8.383 -23.103 1.00 0.00 N ATOM 759 CA GLU A 51 15.986 9.803 -22.984 1.00 0.00 C ATOM 760 C GLU A 51 15.055 10.250 -24.126 1.00 0.00 C ATOM 761 O GLU A 51 14.197 11.112 -23.927 1.00 0.00 O ATOM 762 CB GLU A 51 17.236 10.696 -22.997 1.00 0.00 C ATOM 763 CG GLU A 51 17.974 10.683 -21.656 1.00 0.00 C ATOM 764 CD GLU A 51 19.170 11.655 -21.692 1.00 0.00 C ATOM 765 OE1 GLU A 51 20.121 11.437 -22.484 1.00 0.00 O ATOM 766 OE2 GLU A 51 19.162 12.660 -20.938 1.00 0.00 O ATOM 0 H GLU A 51 17.376 8.238 -23.188 1.00 0.00 H new ATOM 0 HA GLU A 51 15.452 9.906 -22.039 1.00 0.00 H new ATOM 0 HB2 GLU A 51 17.911 10.360 -23.784 1.00 0.00 H new ATOM 0 HB3 GLU A 51 16.947 11.718 -23.240 1.00 0.00 H new ATOM 0 HG2 GLU A 51 17.291 10.966 -20.855 1.00 0.00 H new ATOM 0 HG3 GLU A 51 18.323 9.674 -21.436 1.00 0.00 H new ATOM 773 N GLU A 52 15.148 9.606 -25.294 1.00 0.00 N ATOM 774 CA GLU A 52 14.245 9.834 -26.441 1.00 0.00 C ATOM 775 C GLU A 52 12.839 9.216 -26.238 1.00 0.00 C ATOM 776 O GLU A 52 11.929 9.450 -27.035 1.00 0.00 O ATOM 777 CB GLU A 52 14.925 9.386 -27.753 1.00 0.00 C ATOM 778 CG GLU A 52 15.334 7.909 -27.776 1.00 0.00 C ATOM 779 CD GLU A 52 15.921 7.478 -29.135 1.00 0.00 C ATOM 780 OE1 GLU A 52 16.897 8.078 -29.637 1.00 0.00 O ATOM 781 OE2 GLU A 52 15.432 6.475 -29.704 1.00 0.00 O ATOM 0 H GLU A 52 15.861 8.900 -25.478 1.00 0.00 H new ATOM 0 HA GLU A 52 14.062 10.906 -26.514 1.00 0.00 H new ATOM 0 HB2 GLU A 52 14.246 9.576 -28.584 1.00 0.00 H new ATOM 0 HB3 GLU A 52 15.811 9.999 -27.918 1.00 0.00 H new ATOM 0 HG2 GLU A 52 16.070 7.727 -26.992 1.00 0.00 H new ATOM 0 HG3 GLU A 52 14.465 7.292 -27.547 1.00 0.00 H new ATOM 788 N VAL A 53 12.655 8.477 -25.137 1.00 0.00 N ATOM 789 CA VAL A 53 11.379 7.952 -24.605 1.00 0.00 C ATOM 790 C VAL A 53 10.980 8.703 -23.309 1.00 0.00 C ATOM 791 O VAL A 53 9.974 8.394 -22.675 1.00 0.00 O ATOM 792 CB VAL A 53 11.486 6.412 -24.426 1.00 0.00 C ATOM 793 CG1 VAL A 53 10.162 5.710 -24.094 1.00 0.00 C ATOM 794 CG2 VAL A 53 12.030 5.745 -25.698 1.00 0.00 C ATOM 0 H VAL A 53 13.444 8.208 -24.550 1.00 0.00 H new ATOM 0 HA VAL A 53 10.571 8.133 -25.314 1.00 0.00 H new ATOM 0 HB VAL A 53 12.160 6.296 -23.577 1.00 0.00 H new ATOM 0 HG11 VAL A 53 10.335 4.639 -23.987 1.00 0.00 H new ATOM 0 HG12 VAL A 53 9.763 6.108 -23.161 1.00 0.00 H new ATOM 0 HG13 VAL A 53 9.446 5.884 -24.898 1.00 0.00 H new ATOM 0 HG21 VAL A 53 12.095 4.668 -25.545 1.00 0.00 H new ATOM 0 HG22 VAL A 53 11.361 5.953 -26.533 1.00 0.00 H new ATOM 0 HG23 VAL A 53 13.021 6.140 -25.920 1.00 0.00 H new ATOM 804 N GLY A 54 11.761 9.716 -22.900 1.00 0.00 N ATOM 805 CA GLY A 54 11.575 10.489 -21.663 1.00 0.00 C ATOM 806 C GLY A 54 12.098 9.799 -20.389 1.00 0.00 C ATOM 807 O GLY A 54 11.755 10.221 -19.284 1.00 0.00 O ATOM 0 H GLY A 54 12.567 10.029 -23.441 1.00 0.00 H new ATOM 0 HA2 GLY A 54 12.078 11.450 -21.772 1.00 0.00 H new ATOM 0 HA3 GLY A 54 10.513 10.697 -21.537 1.00 0.00 H new ATOM 811 N ILE A 55 12.903 8.737 -20.529 1.00 0.00 N ATOM 812 CA ILE A 55 13.423 7.918 -19.418 1.00 0.00 C ATOM 813 C ILE A 55 14.785 8.435 -18.937 1.00 0.00 C ATOM 814 O ILE A 55 15.576 8.961 -19.717 1.00 0.00 O ATOM 815 CB ILE A 55 13.534 6.428 -19.828 1.00 0.00 C ATOM 816 CG1 ILE A 55 12.276 5.891 -20.540 1.00 0.00 C ATOM 817 CG2 ILE A 55 13.875 5.513 -18.638 1.00 0.00 C ATOM 818 CD1 ILE A 55 10.998 5.914 -19.689 1.00 0.00 C ATOM 0 H ILE A 55 13.221 8.412 -21.442 1.00 0.00 H new ATOM 0 HA ILE A 55 12.713 7.999 -18.595 1.00 0.00 H new ATOM 0 HB ILE A 55 14.358 6.404 -20.541 1.00 0.00 H new ATOM 0 HG12 ILE A 55 12.106 6.479 -21.442 1.00 0.00 H new ATOM 0 HG13 ILE A 55 12.465 4.866 -20.859 1.00 0.00 H new ATOM 0 HG21 ILE A 55 13.941 4.480 -18.980 1.00 0.00 H new ATOM 0 HG22 ILE A 55 14.831 5.815 -18.209 1.00 0.00 H new ATOM 0 HG23 ILE A 55 13.095 5.595 -17.881 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.166 5.519 -20.271 1.00 0.00 H new ATOM 0 HD12 ILE A 55 11.142 5.301 -18.799 1.00 0.00 H new ATOM 0 HD13 ILE A 55 10.778 6.939 -19.391 1.00 0.00 H new ATOM 830 N ASP A 56 15.088 8.214 -17.659 1.00 0.00 N ATOM 831 CA ASP A 56 16.413 8.438 -17.073 1.00 0.00 C ATOM 832 C ASP A 56 16.862 7.246 -16.209 1.00 0.00 C ATOM 833 O ASP A 56 16.097 6.731 -15.393 1.00 0.00 O ATOM 834 CB ASP A 56 16.420 9.746 -16.272 1.00 0.00 C ATOM 835 CG ASP A 56 17.776 9.994 -15.590 1.00 0.00 C ATOM 836 OD1 ASP A 56 18.829 9.715 -16.213 1.00 0.00 O ATOM 837 OD2 ASP A 56 17.799 10.433 -14.417 1.00 0.00 O ATOM 0 H ASP A 56 14.406 7.866 -16.985 1.00 0.00 H new ATOM 0 HA ASP A 56 17.135 8.526 -17.885 1.00 0.00 H new ATOM 0 HB2 ASP A 56 16.190 10.579 -16.936 1.00 0.00 H new ATOM 0 HB3 ASP A 56 15.635 9.713 -15.517 1.00 0.00 H new ATOM 842 N ILE A 57 18.124 6.835 -16.383 1.00 0.00 N ATOM 843 CA ILE A 57 18.840 5.864 -15.531 1.00 0.00 C ATOM 844 C ILE A 57 20.210 6.392 -15.059 1.00 0.00 C ATOM 845 O ILE A 57 20.935 5.681 -14.368 1.00 0.00 O ATOM 846 CB ILE A 57 18.976 4.488 -16.231 1.00 0.00 C ATOM 847 CG1 ILE A 57 19.761 4.579 -17.560 1.00 0.00 C ATOM 848 CG2 ILE A 57 17.598 3.845 -16.457 1.00 0.00 C ATOM 849 CD1 ILE A 57 20.181 3.209 -18.101 1.00 0.00 C ATOM 0 H ILE A 57 18.701 7.180 -17.150 1.00 0.00 H new ATOM 0 HA ILE A 57 18.232 5.725 -14.637 1.00 0.00 H new ATOM 0 HB ILE A 57 19.552 3.850 -15.561 1.00 0.00 H new ATOM 0 HG12 ILE A 57 19.147 5.085 -18.305 1.00 0.00 H new ATOM 0 HG13 ILE A 57 20.649 5.192 -17.410 1.00 0.00 H new ATOM 0 HG21 ILE A 57 17.723 2.881 -16.950 1.00 0.00 H new ATOM 0 HG22 ILE A 57 17.102 3.701 -15.497 1.00 0.00 H new ATOM 0 HG23 ILE A 57 16.991 4.497 -17.085 1.00 0.00 H new ATOM 0 HD11 ILE A 57 20.728 3.339 -19.035 1.00 0.00 H new ATOM 0 HD12 ILE A 57 20.820 2.710 -17.372 1.00 0.00 H new ATOM 0 HD13 ILE A 57 19.294 2.602 -18.281 1.00 0.00 H new ATOM 861 N SER A 58 20.591 7.624 -15.421 1.00 0.00 N ATOM 862 CA SER A 58 21.947 8.173 -15.228 1.00 0.00 C ATOM 863 C SER A 58 22.341 8.345 -13.754 1.00 0.00 C ATOM 864 O SER A 58 23.512 8.188 -13.405 1.00 0.00 O ATOM 865 CB SER A 58 22.072 9.515 -15.965 1.00 0.00 C ATOM 866 OG SER A 58 21.183 10.487 -15.450 1.00 0.00 O ATOM 0 H SER A 58 19.954 8.284 -15.866 1.00 0.00 H new ATOM 0 HA SER A 58 22.640 7.442 -15.645 1.00 0.00 H new ATOM 0 HB2 SER A 58 23.096 9.880 -15.882 1.00 0.00 H new ATOM 0 HB3 SER A 58 21.871 9.366 -17.026 1.00 0.00 H new ATOM 0 HG SER A 58 20.312 10.401 -15.892 1.00 0.00 H new ATOM 872 N GLY A 59 21.363 8.612 -12.880 1.00 0.00 N ATOM 873 CA GLY A 59 21.554 8.722 -11.429 1.00 0.00 C ATOM 874 C GLY A 59 21.516 7.389 -10.667 1.00 0.00 C ATOM 875 O GLY A 59 21.650 7.398 -9.442 1.00 0.00 O ATOM 0 H GLY A 59 20.396 8.761 -13.168 1.00 0.00 H new ATOM 0 HA2 GLY A 59 22.513 9.205 -11.239 1.00 0.00 H new ATOM 0 HA3 GLY A 59 20.782 9.377 -11.025 1.00 0.00 H new ATOM 879 N GLN A 60 21.310 6.249 -11.344 1.00 0.00 N ATOM 880 CA GLN A 60 21.173 4.946 -10.677 1.00 0.00 C ATOM 881 C GLN A 60 22.530 4.315 -10.323 1.00 0.00 C ATOM 882 O GLN A 60 23.541 4.537 -10.995 1.00 0.00 O ATOM 883 CB GLN A 60 20.316 3.987 -11.516 1.00 0.00 C ATOM 884 CG GLN A 60 18.870 4.482 -11.691 1.00 0.00 C ATOM 885 CD GLN A 60 17.998 3.578 -12.569 1.00 0.00 C ATOM 886 OE1 GLN A 60 16.867 3.912 -12.889 1.00 0.00 O ATOM 887 NE2 GLN A 60 18.456 2.429 -13.016 1.00 0.00 N ATOM 0 H GLN A 60 21.234 6.204 -12.360 1.00 0.00 H new ATOM 0 HA GLN A 60 20.661 5.128 -9.732 1.00 0.00 H new ATOM 0 HB2 GLN A 60 20.774 3.861 -12.497 1.00 0.00 H new ATOM 0 HB3 GLN A 60 20.305 3.006 -11.041 1.00 0.00 H new ATOM 0 HG2 GLN A 60 18.407 4.571 -10.708 1.00 0.00 H new ATOM 0 HG3 GLN A 60 18.890 5.481 -12.126 1.00 0.00 H new ATOM 0 HE21 GLN A 60 19.396 2.123 -12.766 1.00 0.00 H new ATOM 0 HE22 GLN A 60 17.871 1.844 -13.613 1.00 0.00 H new ATOM 896 N THR A 61 22.532 3.500 -9.265 1.00 0.00 N ATOM 897 CA THR A 61 23.707 2.815 -8.690 1.00 0.00 C ATOM 898 C THR A 61 23.478 1.297 -8.610 1.00 0.00 C ATOM 899 O THR A 61 22.402 0.798 -8.959 1.00 0.00 O ATOM 900 CB THR A 61 24.040 3.395 -7.299 1.00 0.00 C ATOM 901 OG1 THR A 61 22.917 3.295 -6.443 1.00 0.00 O ATOM 902 CG2 THR A 61 24.454 4.867 -7.369 1.00 0.00 C ATOM 0 H THR A 61 21.674 3.285 -8.756 1.00 0.00 H new ATOM 0 HA THR A 61 24.558 2.988 -9.349 1.00 0.00 H new ATOM 0 HB THR A 61 24.876 2.812 -6.912 1.00 0.00 H new ATOM 0 HG1 THR A 61 23.142 3.665 -5.564 1.00 0.00 H new ATOM 0 HG21 THR A 61 24.678 5.230 -6.366 1.00 0.00 H new ATOM 0 HG22 THR A 61 25.339 4.967 -7.997 1.00 0.00 H new ATOM 0 HG23 THR A 61 23.640 5.454 -7.794 1.00 0.00 H new ATOM 910 N SER A 62 24.492 0.538 -8.184 1.00 0.00 N ATOM 911 CA SER A 62 24.375 -0.905 -7.918 1.00 0.00 C ATOM 912 C SER A 62 25.379 -1.394 -6.863 1.00 0.00 C ATOM 913 O SER A 62 26.432 -0.784 -6.657 1.00 0.00 O ATOM 914 CB SER A 62 24.589 -1.680 -9.213 1.00 0.00 C ATOM 915 OG SER A 62 23.947 -2.945 -9.144 1.00 0.00 O ATOM 0 H SER A 62 25.427 0.908 -8.012 1.00 0.00 H new ATOM 0 HA SER A 62 23.374 -1.081 -7.524 1.00 0.00 H new ATOM 0 HB2 SER A 62 24.195 -1.110 -10.055 1.00 0.00 H new ATOM 0 HB3 SER A 62 25.656 -1.816 -9.391 1.00 0.00 H new ATOM 0 HG SER A 62 23.796 -3.285 -10.051 1.00 0.00 H new ATOM 921 N ASP A 63 25.046 -2.509 -6.208 1.00 0.00 N ATOM 922 CA ASP A 63 25.889 -3.263 -5.271 1.00 0.00 C ATOM 923 C ASP A 63 25.443 -4.743 -5.261 1.00 0.00 C ATOM 924 O ASP A 63 24.305 -5.022 -5.652 1.00 0.00 O ATOM 925 CB ASP A 63 25.775 -2.679 -3.850 1.00 0.00 C ATOM 926 CG ASP A 63 26.627 -1.417 -3.641 1.00 0.00 C ATOM 927 OD1 ASP A 63 27.877 -1.529 -3.633 1.00 0.00 O ATOM 928 OD2 ASP A 63 26.054 -0.323 -3.408 1.00 0.00 O ATOM 0 H ASP A 63 24.127 -2.936 -6.323 1.00 0.00 H new ATOM 0 HA ASP A 63 26.928 -3.191 -5.594 1.00 0.00 H new ATOM 0 HB2 ASP A 63 24.731 -2.442 -3.645 1.00 0.00 H new ATOM 0 HB3 ASP A 63 26.078 -3.437 -3.128 1.00 0.00 H new ATOM 933 N PRO A 64 26.280 -5.699 -4.804 1.00 0.00 N ATOM 934 CA PRO A 64 25.904 -7.113 -4.690 1.00 0.00 C ATOM 935 C PRO A 64 24.656 -7.320 -3.823 1.00 0.00 C ATOM 936 O PRO A 64 24.515 -6.697 -2.768 1.00 0.00 O ATOM 937 CB PRO A 64 27.128 -7.827 -4.094 1.00 0.00 C ATOM 938 CG PRO A 64 28.290 -6.916 -4.487 1.00 0.00 C ATOM 939 CD PRO A 64 27.668 -5.526 -4.392 1.00 0.00 C ATOM 0 HA PRO A 64 25.638 -7.519 -5.666 1.00 0.00 H new ATOM 0 HB2 PRO A 64 27.046 -7.931 -3.012 1.00 0.00 H new ATOM 0 HB3 PRO A 64 27.247 -8.830 -4.503 1.00 0.00 H new ATOM 0 HG2 PRO A 64 29.139 -7.027 -3.812 1.00 0.00 H new ATOM 0 HG3 PRO A 64 28.652 -7.131 -5.493 1.00 0.00 H new ATOM 0 HD2 PRO A 64 27.731 -5.135 -3.377 1.00 0.00 H new ATOM 0 HD3 PRO A 64 28.186 -4.818 -5.039 1.00 0.00 H new ATOM 947 N ILE A 65 23.765 -8.231 -4.222 1.00 0.00 N ATOM 948 CA ILE A 65 22.431 -8.359 -3.601 1.00 0.00 C ATOM 949 C ILE A 65 22.458 -8.700 -2.101 1.00 0.00 C ATOM 950 O ILE A 65 21.607 -8.234 -1.345 1.00 0.00 O ATOM 951 CB ILE A 65 21.552 -9.326 -4.428 1.00 0.00 C ATOM 952 CG1 ILE A 65 20.063 -9.140 -4.059 1.00 0.00 C ATOM 953 CG2 ILE A 65 22.014 -10.794 -4.306 1.00 0.00 C ATOM 954 CD1 ILE A 65 19.116 -9.979 -4.918 1.00 0.00 C ATOM 0 H ILE A 65 23.938 -8.897 -4.975 1.00 0.00 H new ATOM 0 HA ILE A 65 21.973 -7.370 -3.627 1.00 0.00 H new ATOM 0 HB ILE A 65 21.671 -9.072 -5.481 1.00 0.00 H new ATOM 0 HG12 ILE A 65 19.920 -9.403 -3.011 1.00 0.00 H new ATOM 0 HG13 ILE A 65 19.799 -8.087 -4.162 1.00 0.00 H new ATOM 0 HG21 ILE A 65 21.364 -11.431 -4.905 1.00 0.00 H new ATOM 0 HG22 ILE A 65 23.040 -10.884 -4.664 1.00 0.00 H new ATOM 0 HG23 ILE A 65 21.965 -11.105 -3.263 1.00 0.00 H new ATOM 0 HD11 ILE A 65 18.087 -9.800 -4.606 1.00 0.00 H new ATOM 0 HD12 ILE A 65 19.231 -9.700 -5.965 1.00 0.00 H new ATOM 0 HD13 ILE A 65 19.354 -11.036 -4.796 1.00 0.00 H new ATOM 966 N GLU A 66 23.477 -9.426 -1.635 1.00 0.00 N ATOM 967 CA GLU A 66 23.618 -9.804 -0.217 1.00 0.00 C ATOM 968 C GLU A 66 23.918 -8.609 0.720 1.00 0.00 C ATOM 969 O GLU A 66 23.801 -8.749 1.940 1.00 0.00 O ATOM 970 CB GLU A 66 24.684 -10.901 -0.066 1.00 0.00 C ATOM 971 CG GLU A 66 24.316 -12.197 -0.801 1.00 0.00 C ATOM 972 CD GLU A 66 25.368 -13.292 -0.531 1.00 0.00 C ATOM 973 OE1 GLU A 66 26.374 -13.372 -1.278 1.00 0.00 O ATOM 974 OE2 GLU A 66 25.201 -14.086 0.428 1.00 0.00 O ATOM 0 H GLU A 66 24.232 -9.772 -2.227 1.00 0.00 H new ATOM 0 HA GLU A 66 22.649 -10.189 0.099 1.00 0.00 H new ATOM 0 HB2 GLU A 66 25.636 -10.531 -0.447 1.00 0.00 H new ATOM 0 HB3 GLU A 66 24.827 -11.118 0.993 1.00 0.00 H new ATOM 0 HG2 GLU A 66 23.334 -12.540 -0.475 1.00 0.00 H new ATOM 0 HG3 GLU A 66 24.248 -12.007 -1.872 1.00 0.00 H new ATOM 981 N ASN A 67 24.260 -7.427 0.181 1.00 0.00 N ATOM 982 CA ASN A 67 24.392 -6.198 0.979 1.00 0.00 C ATOM 983 C ASN A 67 23.024 -5.579 1.366 1.00 0.00 C ATOM 984 O ASN A 67 22.957 -4.804 2.323 1.00 0.00 O ATOM 985 CB ASN A 67 25.323 -5.192 0.257 1.00 0.00 C ATOM 986 CG ASN A 67 24.576 -4.033 -0.394 1.00 0.00 C ATOM 987 OD1 ASN A 67 24.507 -2.929 0.125 1.00 0.00 O ATOM 988 ND2 ASN A 67 23.963 -4.257 -1.526 1.00 0.00 N ATOM 0 H ASN A 67 24.451 -7.297 -0.812 1.00 0.00 H new ATOM 0 HA ASN A 67 24.856 -6.465 1.928 1.00 0.00 H new ATOM 0 HB2 ASN A 67 26.041 -4.794 0.974 1.00 0.00 H new ATOM 0 HB3 ASN A 67 25.894 -5.721 -0.506 1.00 0.00 H new ATOM 0 HD21 ASN A 67 23.429 -3.512 -1.973 1.00 0.00 H new ATOM 0 HD22 ASN A 67 24.018 -5.177 -1.962 1.00 0.00 H new ATOM 995 N PHE A 68 21.947 -5.898 0.633 1.00 0.00 N ATOM 996 CA PHE A 68 20.607 -5.331 0.828 1.00 0.00 C ATOM 997 C PHE A 68 19.725 -6.188 1.758 1.00 0.00 C ATOM 998 O PHE A 68 20.023 -7.349 2.047 1.00 0.00 O ATOM 999 CB PHE A 68 19.939 -5.101 -0.543 1.00 0.00 C ATOM 1000 CG PHE A 68 20.654 -4.121 -1.459 1.00 0.00 C ATOM 1001 CD1 PHE A 68 20.912 -2.803 -1.031 1.00 0.00 C ATOM 1002 CD2 PHE A 68 21.053 -4.521 -2.747 1.00 0.00 C ATOM 1003 CE1 PHE A 68 21.580 -1.902 -1.879 1.00 0.00 C ATOM 1004 CE2 PHE A 68 21.729 -3.621 -3.590 1.00 0.00 C ATOM 1005 CZ PHE A 68 21.984 -2.310 -3.160 1.00 0.00 C ATOM 0 H PHE A 68 21.986 -6.574 -0.130 1.00 0.00 H new ATOM 0 HA PHE A 68 20.719 -4.372 1.334 1.00 0.00 H new ATOM 0 HB2 PHE A 68 19.860 -6.060 -1.055 1.00 0.00 H new ATOM 0 HB3 PHE A 68 18.923 -4.743 -0.378 1.00 0.00 H new ATOM 0 HD1 PHE A 68 20.596 -2.484 -0.049 1.00 0.00 H new ATOM 0 HD2 PHE A 68 20.840 -5.523 -3.090 1.00 0.00 H new ATOM 0 HE1 PHE A 68 21.782 -0.895 -1.545 1.00 0.00 H new ATOM 0 HE2 PHE A 68 22.052 -3.939 -4.570 1.00 0.00 H new ATOM 0 HZ PHE A 68 22.491 -1.616 -3.814 1.00 0.00 H new ATOM 1015 N ASN A 69 18.606 -5.604 2.205 1.00 0.00 N ATOM 1016 CA ASN A 69 17.602 -6.234 3.073 1.00 0.00 C ATOM 1017 C ASN A 69 16.263 -6.402 2.334 1.00 0.00 C ATOM 1018 O ASN A 69 15.548 -5.425 2.119 1.00 0.00 O ATOM 1019 CB ASN A 69 17.473 -5.416 4.383 1.00 0.00 C ATOM 1020 CG ASN A 69 17.514 -3.894 4.234 1.00 0.00 C ATOM 1021 OD1 ASN A 69 18.359 -3.221 4.807 1.00 0.00 O ATOM 1022 ND2 ASN A 69 16.632 -3.294 3.463 1.00 0.00 N ATOM 0 H ASN A 69 18.366 -4.643 1.963 1.00 0.00 H new ATOM 0 HA ASN A 69 17.923 -7.241 3.341 1.00 0.00 H new ATOM 0 HB2 ASN A 69 16.535 -5.688 4.866 1.00 0.00 H new ATOM 0 HB3 ASN A 69 18.277 -5.716 5.055 1.00 0.00 H new ATOM 0 HD21 ASN A 69 16.659 -2.281 3.350 1.00 0.00 H new ATOM 0 HD22 ASN A 69 15.921 -3.842 2.979 1.00 0.00 H new ATOM 1029 N ALA A 70 15.867 -7.623 1.981 1.00 0.00 N ATOM 1030 CA ALA A 70 14.645 -7.864 1.208 1.00 0.00 C ATOM 1031 C ALA A 70 13.351 -7.504 1.967 1.00 0.00 C ATOM 1032 O ALA A 70 12.299 -7.341 1.354 1.00 0.00 O ATOM 1033 CB ALA A 70 14.637 -9.319 0.755 1.00 0.00 C ATOM 0 H ALA A 70 16.380 -8.472 2.220 1.00 0.00 H new ATOM 0 HA ALA A 70 14.657 -7.198 0.345 1.00 0.00 H new ATOM 0 HB1 ALA A 70 13.733 -9.515 0.178 1.00 0.00 H new ATOM 0 HB2 ALA A 70 15.513 -9.512 0.135 1.00 0.00 H new ATOM 0 HB3 ALA A 70 14.659 -9.972 1.628 1.00 0.00 H new ATOM 1039 N ASP A 71 13.424 -7.321 3.288 1.00 0.00 N ATOM 1040 CA ASP A 71 12.303 -6.899 4.148 1.00 0.00 C ATOM 1041 C ASP A 71 11.681 -5.551 3.717 1.00 0.00 C ATOM 1042 O ASP A 71 10.521 -5.258 4.016 1.00 0.00 O ATOM 1043 CB ASP A 71 12.833 -6.775 5.582 1.00 0.00 C ATOM 1044 CG ASP A 71 11.708 -6.526 6.603 1.00 0.00 C ATOM 1045 OD1 ASP A 71 10.859 -7.429 6.798 1.00 0.00 O ATOM 1046 OD2 ASP A 71 11.691 -5.443 7.239 1.00 0.00 O ATOM 0 H ASP A 71 14.289 -7.465 3.809 1.00 0.00 H new ATOM 0 HA ASP A 71 11.514 -7.647 4.066 1.00 0.00 H new ATOM 0 HB2 ASP A 71 13.367 -7.687 5.849 1.00 0.00 H new ATOM 0 HB3 ASP A 71 13.552 -5.958 5.631 1.00 0.00 H new ATOM 1051 N ASP A 72 12.456 -4.748 2.984 1.00 0.00 N ATOM 1052 CA ASP A 72 12.104 -3.416 2.499 1.00 0.00 C ATOM 1053 C ASP A 72 11.661 -3.409 1.018 1.00 0.00 C ATOM 1054 O ASP A 72 11.328 -2.350 0.493 1.00 0.00 O ATOM 1055 CB ASP A 72 13.312 -2.508 2.764 1.00 0.00 C ATOM 1056 CG ASP A 72 12.997 -1.012 2.602 1.00 0.00 C ATOM 1057 OD1 ASP A 72 12.037 -0.511 3.234 1.00 0.00 O ATOM 1058 OD2 ASP A 72 13.749 -0.308 1.885 1.00 0.00 O ATOM 0 H ASP A 72 13.395 -5.026 2.699 1.00 0.00 H new ATOM 0 HA ASP A 72 11.230 -3.044 3.033 1.00 0.00 H new ATOM 0 HB2 ASP A 72 13.678 -2.688 3.775 1.00 0.00 H new ATOM 0 HB3 ASP A 72 14.117 -2.778 2.081 1.00 0.00 H new ATOM 1063 N TYR A 73 11.654 -4.573 0.347 1.00 0.00 N ATOM 1064 CA TYR A 73 11.313 -4.756 -1.064 1.00 0.00 C ATOM 1065 C TYR A 73 10.196 -5.794 -1.194 1.00 0.00 C ATOM 1066 O TYR A 73 10.421 -6.949 -1.548 1.00 0.00 O ATOM 1067 CB TYR A 73 12.558 -5.131 -1.875 1.00 0.00 C ATOM 1068 CG TYR A 73 13.676 -4.120 -1.749 1.00 0.00 C ATOM 1069 CD1 TYR A 73 13.753 -3.019 -2.617 1.00 0.00 C ATOM 1070 CD2 TYR A 73 14.614 -4.262 -0.716 1.00 0.00 C ATOM 1071 CE1 TYR A 73 14.783 -2.076 -2.450 1.00 0.00 C ATOM 1072 CE2 TYR A 73 15.646 -3.326 -0.545 1.00 0.00 C ATOM 1073 CZ TYR A 73 15.733 -2.218 -1.416 1.00 0.00 C ATOM 1074 OH TYR A 73 16.720 -1.293 -1.271 1.00 0.00 O ATOM 0 H TYR A 73 11.899 -5.453 0.802 1.00 0.00 H new ATOM 0 HA TYR A 73 10.942 -3.818 -1.476 1.00 0.00 H new ATOM 0 HB2 TYR A 73 12.919 -6.105 -1.546 1.00 0.00 H new ATOM 0 HB3 TYR A 73 12.284 -5.231 -2.925 1.00 0.00 H new ATOM 0 HD1 TYR A 73 13.027 -2.897 -3.407 1.00 0.00 H new ATOM 0 HD2 TYR A 73 14.541 -5.103 -0.043 1.00 0.00 H new ATOM 0 HE1 TYR A 73 14.848 -1.233 -3.121 1.00 0.00 H new ATOM 0 HE2 TYR A 73 16.369 -3.452 0.248 1.00 0.00 H new ATOM 0 HH TYR A 73 17.289 -1.538 -0.512 1.00 0.00 H new ATOM 1084 N ASP A 74 8.978 -5.352 -0.888 1.00 0.00 N ATOM 1085 CA ASP A 74 7.734 -6.137 -0.880 1.00 0.00 C ATOM 1086 C ASP A 74 7.474 -6.884 -2.202 1.00 0.00 C ATOM 1087 O ASP A 74 6.729 -7.862 -2.243 1.00 0.00 O ATOM 1088 CB ASP A 74 6.532 -5.206 -0.642 1.00 0.00 C ATOM 1089 CG ASP A 74 6.816 -4.074 0.358 1.00 0.00 C ATOM 1090 OD1 ASP A 74 7.441 -3.074 -0.076 1.00 0.00 O ATOM 1091 OD2 ASP A 74 6.415 -4.179 1.542 1.00 0.00 O ATOM 0 H ASP A 74 8.818 -4.380 -0.623 1.00 0.00 H new ATOM 0 HA ASP A 74 7.851 -6.872 -0.083 1.00 0.00 H new ATOM 0 HB2 ASP A 74 6.227 -4.770 -1.593 1.00 0.00 H new ATOM 0 HB3 ASP A 74 5.692 -5.798 -0.279 1.00 0.00 H new ATOM 1096 N VAL A 75 8.055 -6.397 -3.301 1.00 0.00 N ATOM 1097 CA VAL A 75 7.896 -6.924 -4.650 1.00 0.00 C ATOM 1098 C VAL A 75 9.283 -7.035 -5.297 1.00 0.00 C ATOM 1099 O VAL A 75 10.053 -6.075 -5.296 1.00 0.00 O ATOM 1100 CB VAL A 75 6.918 -6.018 -5.424 1.00 0.00 C ATOM 1101 CG1 VAL A 75 6.791 -6.447 -6.889 1.00 0.00 C ATOM 1102 CG2 VAL A 75 5.518 -6.027 -4.794 1.00 0.00 C ATOM 0 H VAL A 75 8.676 -5.588 -3.269 1.00 0.00 H new ATOM 0 HA VAL A 75 7.464 -7.925 -4.652 1.00 0.00 H new ATOM 0 HB VAL A 75 7.333 -5.011 -5.373 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.093 -5.785 -7.403 1.00 0.00 H new ATOM 0 HG12 VAL A 75 7.767 -6.390 -7.371 1.00 0.00 H new ATOM 0 HG13 VAL A 75 6.422 -7.471 -6.937 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.857 -5.377 -5.367 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.123 -7.043 -4.800 1.00 0.00 H new ATOM 0 HG23 VAL A 75 5.579 -5.668 -3.767 1.00 0.00 H new ATOM 1112 N VAL A 76 9.638 -8.203 -5.839 1.00 0.00 N ATOM 1113 CA VAL A 76 10.984 -8.455 -6.392 1.00 0.00 C ATOM 1114 C VAL A 76 10.877 -9.117 -7.764 1.00 0.00 C ATOM 1115 O VAL A 76 10.339 -10.212 -7.895 1.00 0.00 O ATOM 1116 CB VAL A 76 11.849 -9.290 -5.425 1.00 0.00 C ATOM 1117 CG1 VAL A 76 13.211 -9.652 -6.037 1.00 0.00 C ATOM 1118 CG2 VAL A 76 12.129 -8.536 -4.113 1.00 0.00 C ATOM 0 H VAL A 76 9.008 -9.002 -5.910 1.00 0.00 H new ATOM 0 HA VAL A 76 11.486 -7.495 -6.515 1.00 0.00 H new ATOM 0 HB VAL A 76 11.272 -10.194 -5.229 1.00 0.00 H new ATOM 0 HG11 VAL A 76 13.787 -10.240 -5.322 1.00 0.00 H new ATOM 0 HG12 VAL A 76 13.058 -10.234 -6.946 1.00 0.00 H new ATOM 0 HG13 VAL A 76 13.756 -8.739 -6.278 1.00 0.00 H new ATOM 0 HG21 VAL A 76 12.741 -9.158 -3.459 1.00 0.00 H new ATOM 0 HG22 VAL A 76 12.659 -7.609 -4.332 1.00 0.00 H new ATOM 0 HG23 VAL A 76 11.186 -8.306 -3.617 1.00 0.00 H new ATOM 1128 N ILE A 77 11.388 -8.450 -8.795 1.00 0.00 N ATOM 1129 CA ILE A 77 11.382 -8.920 -10.182 1.00 0.00 C ATOM 1130 C ILE A 77 12.825 -9.244 -10.576 1.00 0.00 C ATOM 1131 O ILE A 77 13.688 -8.366 -10.599 1.00 0.00 O ATOM 1132 CB ILE A 77 10.740 -7.863 -11.121 1.00 0.00 C ATOM 1133 CG1 ILE A 77 9.192 -7.726 -11.092 1.00 0.00 C ATOM 1134 CG2 ILE A 77 11.110 -8.120 -12.595 1.00 0.00 C ATOM 1135 CD1 ILE A 77 8.480 -8.095 -9.791 1.00 0.00 C ATOM 0 H ILE A 77 11.832 -7.538 -8.687 1.00 0.00 H new ATOM 0 HA ILE A 77 10.774 -9.820 -10.279 1.00 0.00 H new ATOM 0 HB ILE A 77 11.156 -6.940 -10.716 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.940 -6.693 -11.333 1.00 0.00 H new ATOM 0 HG13 ILE A 77 8.783 -8.348 -11.888 1.00 0.00 H new ATOM 0 HG21 ILE A 77 10.644 -7.362 -13.225 1.00 0.00 H new ATOM 0 HG22 ILE A 77 12.193 -8.073 -12.712 1.00 0.00 H new ATOM 0 HG23 ILE A 77 10.755 -9.107 -12.892 1.00 0.00 H new ATOM 0 HD11 ILE A 77 7.406 -7.953 -9.911 1.00 0.00 H new ATOM 0 HD12 ILE A 77 8.683 -9.138 -9.548 1.00 0.00 H new ATOM 0 HD13 ILE A 77 8.842 -7.458 -8.984 1.00 0.00 H new ATOM 1147 N SER A 78 13.085 -10.501 -10.904 1.00 0.00 N ATOM 1148 CA SER A 78 14.333 -10.946 -11.523 1.00 0.00 C ATOM 1149 C SER A 78 14.207 -10.824 -13.044 1.00 0.00 C ATOM 1150 O SER A 78 13.097 -10.788 -13.576 1.00 0.00 O ATOM 1151 CB SER A 78 14.665 -12.375 -11.098 1.00 0.00 C ATOM 1152 OG SER A 78 14.872 -12.404 -9.698 1.00 0.00 O ATOM 0 H SER A 78 12.422 -11.260 -10.745 1.00 0.00 H new ATOM 0 HA SER A 78 15.156 -10.314 -11.189 1.00 0.00 H new ATOM 0 HB2 SER A 78 13.852 -13.048 -11.372 1.00 0.00 H new ATOM 0 HB3 SER A 78 15.557 -12.725 -11.618 1.00 0.00 H new ATOM 0 HG SER A 78 14.121 -12.863 -9.266 1.00 0.00 H new ATOM 1158 N LEU A 79 15.329 -10.699 -13.752 1.00 0.00 N ATOM 1159 CA LEU A 79 15.370 -10.580 -15.213 1.00 0.00 C ATOM 1160 C LEU A 79 16.423 -11.531 -15.812 1.00 0.00 C ATOM 1161 O LEU A 79 17.176 -11.153 -16.708 1.00 0.00 O ATOM 1162 CB LEU A 79 15.534 -9.104 -15.648 1.00 0.00 C ATOM 1163 CG LEU A 79 14.468 -8.136 -15.094 1.00 0.00 C ATOM 1164 CD1 LEU A 79 14.919 -7.471 -13.790 1.00 0.00 C ATOM 1165 CD2 LEU A 79 14.195 -6.999 -16.069 1.00 0.00 C ATOM 0 H LEU A 79 16.253 -10.677 -13.320 1.00 0.00 H new ATOM 0 HA LEU A 79 14.412 -10.901 -15.623 1.00 0.00 H new ATOM 0 HB2 LEU A 79 16.518 -8.756 -15.333 1.00 0.00 H new ATOM 0 HB3 LEU A 79 15.513 -9.058 -16.737 1.00 0.00 H new ATOM 0 HG LEU A 79 13.580 -8.746 -14.931 1.00 0.00 H new ATOM 0 HD11 LEU A 79 14.138 -6.798 -13.436 1.00 0.00 H new ATOM 0 HD12 LEU A 79 15.107 -8.237 -13.037 1.00 0.00 H new ATOM 0 HD13 LEU A 79 15.833 -6.905 -13.968 1.00 0.00 H new ATOM 0 HD21 LEU A 79 13.440 -6.334 -15.650 1.00 0.00 H new ATOM 0 HD22 LEU A 79 15.114 -6.440 -16.243 1.00 0.00 H new ATOM 0 HD23 LEU A 79 13.835 -7.408 -17.013 1.00 0.00 H new ATOM 1177 N CYS A 80 16.518 -12.743 -15.262 1.00 0.00 N ATOM 1178 CA CYS A 80 17.437 -13.797 -15.704 1.00 0.00 C ATOM 1179 C CYS A 80 16.717 -14.876 -16.537 1.00 0.00 C ATOM 1180 O CYS A 80 17.331 -15.481 -17.417 1.00 0.00 O ATOM 1181 CB CYS A 80 18.123 -14.398 -14.472 1.00 0.00 C ATOM 1182 SG CYS A 80 19.116 -13.124 -13.635 1.00 0.00 S ATOM 0 H CYS A 80 15.940 -13.028 -14.472 1.00 0.00 H new ATOM 0 HA CYS A 80 18.190 -13.362 -16.362 1.00 0.00 H new ATOM 0 HB2 CYS A 80 17.375 -14.797 -13.787 1.00 0.00 H new ATOM 0 HB3 CYS A 80 18.760 -15.231 -14.769 1.00 0.00 H new ATOM 0 HG CYS A 80 20.004 -13.695 -12.876 1.00 0.00 H new ATOM 1188 N GLY A 81 15.413 -15.057 -16.309 1.00 0.00 N ATOM 1189 CA GLY A 81 14.506 -15.867 -17.114 1.00 0.00 C ATOM 1190 C GLY A 81 14.391 -17.308 -16.618 1.00 0.00 C ATOM 1191 O GLY A 81 15.274 -18.125 -16.888 1.00 0.00 O ATOM 0 H GLY A 81 14.942 -14.619 -15.517 1.00 0.00 H new ATOM 0 HA2 GLY A 81 13.518 -15.408 -17.110 1.00 0.00 H new ATOM 0 HA3 GLY A 81 14.852 -15.871 -18.148 1.00 0.00 H new ATOM 1195 N CYS A 82 13.284 -17.601 -15.917 1.00 0.00 N ATOM 1196 CA CYS A 82 12.937 -18.899 -15.315 1.00 0.00 C ATOM 1197 C CYS A 82 14.120 -19.671 -14.675 1.00 0.00 C ATOM 1198 O CYS A 82 14.231 -20.895 -14.802 1.00 0.00 O ATOM 1199 CB CYS A 82 12.048 -19.715 -16.277 1.00 0.00 C ATOM 1200 SG CYS A 82 12.868 -20.099 -17.857 1.00 0.00 S ATOM 0 H CYS A 82 12.565 -16.898 -15.745 1.00 0.00 H new ATOM 0 HA CYS A 82 12.334 -18.692 -14.431 1.00 0.00 H new ATOM 0 HB2 CYS A 82 11.756 -20.646 -15.791 1.00 0.00 H new ATOM 0 HB3 CYS A 82 11.132 -19.158 -16.476 1.00 0.00 H new ATOM 0 HG CYS A 82 14.060 -19.581 -17.864 1.00 0.00 H new ATOM 1206 N GLY A 83 15.006 -18.949 -13.985 1.00 0.00 N ATOM 1207 CA GLY A 83 16.208 -19.472 -13.334 1.00 0.00 C ATOM 1208 C GLY A 83 17.126 -18.348 -12.848 1.00 0.00 C ATOM 1209 O GLY A 83 17.783 -17.680 -13.649 1.00 0.00 O ATOM 0 H GLY A 83 14.900 -17.942 -13.860 1.00 0.00 H new ATOM 0 HA2 GLY A 83 15.921 -20.098 -12.489 1.00 0.00 H new ATOM 0 HA3 GLY A 83 16.751 -20.109 -14.032 1.00 0.00 H new ATOM 1213 N VAL A 84 17.186 -18.151 -11.525 1.00 0.00 N ATOM 1214 CA VAL A 84 18.006 -17.120 -10.855 1.00 0.00 C ATOM 1215 C VAL A 84 18.511 -17.615 -9.489 1.00 0.00 C ATOM 1216 O VAL A 84 17.788 -18.303 -8.768 1.00 0.00 O ATOM 1217 CB VAL A 84 17.212 -15.796 -10.751 1.00 0.00 C ATOM 1218 CG1 VAL A 84 15.977 -15.888 -9.847 1.00 0.00 C ATOM 1219 CG2 VAL A 84 18.094 -14.628 -10.292 1.00 0.00 C ATOM 0 H VAL A 84 16.652 -18.719 -10.867 1.00 0.00 H new ATOM 0 HA VAL A 84 18.893 -16.924 -11.457 1.00 0.00 H new ATOM 0 HB VAL A 84 16.863 -15.606 -11.766 1.00 0.00 H new ATOM 0 HG11 VAL A 84 15.471 -14.923 -9.823 1.00 0.00 H new ATOM 0 HG12 VAL A 84 15.296 -16.645 -10.237 1.00 0.00 H new ATOM 0 HG13 VAL A 84 16.284 -16.162 -8.838 1.00 0.00 H new ATOM 0 HG21 VAL A 84 17.494 -13.720 -10.234 1.00 0.00 H new ATOM 0 HG22 VAL A 84 18.511 -14.851 -9.310 1.00 0.00 H new ATOM 0 HG23 VAL A 84 18.905 -14.482 -11.006 1.00 0.00 H new ATOM 1229 N ASN A 85 19.751 -17.265 -9.120 1.00 0.00 N ATOM 1230 CA ASN A 85 20.337 -17.603 -7.814 1.00 0.00 C ATOM 1231 C ASN A 85 20.032 -16.489 -6.793 1.00 0.00 C ATOM 1232 O ASN A 85 20.498 -15.362 -6.962 1.00 0.00 O ATOM 1233 CB ASN A 85 21.847 -17.842 -8.002 1.00 0.00 C ATOM 1234 CG ASN A 85 22.557 -18.319 -6.739 1.00 0.00 C ATOM 1235 OD1 ASN A 85 21.961 -18.583 -5.704 1.00 0.00 O ATOM 1236 ND2 ASN A 85 23.863 -18.457 -6.791 1.00 0.00 N ATOM 0 H ASN A 85 20.381 -16.736 -9.723 1.00 0.00 H new ATOM 0 HA ASN A 85 19.897 -18.517 -7.415 1.00 0.00 H new ATOM 0 HB2 ASN A 85 21.993 -18.580 -8.790 1.00 0.00 H new ATOM 0 HB3 ASN A 85 22.312 -16.917 -8.342 1.00 0.00 H new ATOM 0 HD21 ASN A 85 24.374 -18.783 -5.971 1.00 0.00 H new ATOM 0 HD22 ASN A 85 24.365 -18.238 -7.652 1.00 0.00 H new ATOM 1243 N LEU A 86 19.248 -16.789 -5.751 1.00 0.00 N ATOM 1244 CA LEU A 86 18.791 -15.814 -4.751 1.00 0.00 C ATOM 1245 C LEU A 86 18.704 -16.401 -3.327 1.00 0.00 C ATOM 1246 O LEU A 86 18.225 -17.529 -3.172 1.00 0.00 O ATOM 1247 CB LEU A 86 17.382 -15.305 -5.128 1.00 0.00 C ATOM 1248 CG LEU A 86 17.291 -14.344 -6.322 1.00 0.00 C ATOM 1249 CD1 LEU A 86 15.826 -14.005 -6.577 1.00 0.00 C ATOM 1250 CD2 LEU A 86 18.012 -13.020 -6.079 1.00 0.00 C ATOM 0 H LEU A 86 18.906 -17.734 -5.575 1.00 0.00 H new ATOM 0 HA LEU A 86 19.529 -15.012 -4.749 1.00 0.00 H new ATOM 0 HB2 LEU A 86 16.753 -16.170 -5.339 1.00 0.00 H new ATOM 0 HB3 LEU A 86 16.956 -14.806 -4.257 1.00 0.00 H new ATOM 0 HG LEU A 86 17.761 -14.851 -7.165 1.00 0.00 H new ATOM 0 HD11 LEU A 86 15.753 -13.323 -7.424 1.00 0.00 H new ATOM 0 HD12 LEU A 86 15.274 -14.919 -6.798 1.00 0.00 H new ATOM 0 HD13 LEU A 86 15.403 -13.531 -5.691 1.00 0.00 H new ATOM 0 HD21 LEU A 86 17.912 -12.384 -6.959 1.00 0.00 H new ATOM 0 HD22 LEU A 86 17.572 -12.519 -5.217 1.00 0.00 H new ATOM 0 HD23 LEU A 86 19.068 -13.211 -5.888 1.00 0.00 H new ATOM 1262 N PRO A 87 19.094 -15.635 -2.283 1.00 0.00 N ATOM 1263 CA PRO A 87 18.820 -16.001 -0.891 1.00 0.00 C ATOM 1264 C PRO A 87 17.295 -16.028 -0.640 1.00 0.00 C ATOM 1265 O PRO A 87 16.562 -15.293 -1.310 1.00 0.00 O ATOM 1266 CB PRO A 87 19.536 -14.947 -0.030 1.00 0.00 C ATOM 1267 CG PRO A 87 20.603 -14.368 -0.957 1.00 0.00 C ATOM 1268 CD PRO A 87 19.967 -14.471 -2.341 1.00 0.00 C ATOM 0 HA PRO A 87 19.183 -16.999 -0.643 1.00 0.00 H new ATOM 0 HB2 PRO A 87 18.845 -14.176 0.312 1.00 0.00 H new ATOM 0 HB3 PRO A 87 19.981 -15.394 0.859 1.00 0.00 H new ATOM 0 HG2 PRO A 87 20.840 -13.336 -0.700 1.00 0.00 H new ATOM 0 HG3 PRO A 87 21.534 -14.933 -0.900 1.00 0.00 H new ATOM 0 HD2 PRO A 87 19.403 -13.570 -2.582 1.00 0.00 H new ATOM 0 HD3 PRO A 87 20.726 -14.588 -3.114 1.00 0.00 H new ATOM 1276 N PRO A 88 16.784 -16.809 0.331 1.00 0.00 N ATOM 1277 CA PRO A 88 15.344 -17.055 0.491 1.00 0.00 C ATOM 1278 C PRO A 88 14.508 -15.788 0.720 1.00 0.00 C ATOM 1279 O PRO A 88 13.395 -15.675 0.211 1.00 0.00 O ATOM 1280 CB PRO A 88 15.228 -18.056 1.649 1.00 0.00 C ATOM 1281 CG PRO A 88 16.539 -17.899 2.419 1.00 0.00 C ATOM 1282 CD PRO A 88 17.540 -17.576 1.310 1.00 0.00 C ATOM 0 HA PRO A 88 14.925 -17.451 -0.434 1.00 0.00 H new ATOM 0 HB2 PRO A 88 14.367 -17.835 2.280 1.00 0.00 H new ATOM 0 HB3 PRO A 88 15.102 -19.075 1.283 1.00 0.00 H new ATOM 0 HG2 PRO A 88 16.482 -17.100 3.159 1.00 0.00 H new ATOM 0 HG3 PRO A 88 16.807 -18.810 2.954 1.00 0.00 H new ATOM 0 HD2 PRO A 88 18.383 -17.003 1.695 1.00 0.00 H new ATOM 0 HD3 PRO A 88 17.948 -18.486 0.869 1.00 0.00 H new ATOM 1290 N GLU A 89 15.065 -14.772 1.387 1.00 0.00 N ATOM 1291 CA GLU A 89 14.371 -13.496 1.610 1.00 0.00 C ATOM 1292 C GLU A 89 14.019 -12.743 0.308 1.00 0.00 C ATOM 1293 O GLU A 89 13.044 -11.999 0.273 1.00 0.00 O ATOM 1294 CB GLU A 89 15.159 -12.641 2.614 1.00 0.00 C ATOM 1295 CG GLU A 89 16.537 -12.170 2.128 1.00 0.00 C ATOM 1296 CD GLU A 89 17.202 -11.252 3.172 1.00 0.00 C ATOM 1297 OE1 GLU A 89 17.907 -11.775 4.073 1.00 0.00 O ATOM 1298 OE2 GLU A 89 17.022 -10.011 3.104 1.00 0.00 O ATOM 0 H GLU A 89 16.003 -14.808 1.786 1.00 0.00 H new ATOM 0 HA GLU A 89 13.399 -13.722 2.048 1.00 0.00 H new ATOM 0 HB2 GLU A 89 14.562 -11.765 2.869 1.00 0.00 H new ATOM 0 HB3 GLU A 89 15.291 -13.215 3.531 1.00 0.00 H new ATOM 0 HG2 GLU A 89 17.175 -13.033 1.938 1.00 0.00 H new ATOM 0 HG3 GLU A 89 16.432 -11.637 1.183 1.00 0.00 H new ATOM 1305 N TRP A 90 14.737 -12.978 -0.795 1.00 0.00 N ATOM 1306 CA TRP A 90 14.481 -12.322 -2.088 1.00 0.00 C ATOM 1307 C TRP A 90 13.377 -12.983 -2.930 1.00 0.00 C ATOM 1308 O TRP A 90 12.925 -12.389 -3.907 1.00 0.00 O ATOM 1309 CB TRP A 90 15.804 -12.193 -2.852 1.00 0.00 C ATOM 1310 CG TRP A 90 16.729 -11.208 -2.217 1.00 0.00 C ATOM 1311 CD1 TRP A 90 17.767 -11.489 -1.398 1.00 0.00 C ATOM 1312 CD2 TRP A 90 16.602 -9.760 -2.218 1.00 0.00 C ATOM 1313 NE1 TRP A 90 18.284 -10.313 -0.886 1.00 0.00 N ATOM 1314 CE2 TRP A 90 17.555 -9.221 -1.307 1.00 0.00 C ATOM 1315 CE3 TRP A 90 15.709 -8.861 -2.836 1.00 0.00 C ATOM 1316 CZ2 TRP A 90 17.561 -7.868 -0.956 1.00 0.00 C ATOM 1317 CZ3 TRP A 90 15.713 -7.497 -2.501 1.00 0.00 C ATOM 1318 CH2 TRP A 90 16.613 -7.007 -1.538 1.00 0.00 C ATOM 0 H TRP A 90 15.519 -13.633 -0.819 1.00 0.00 H new ATOM 0 HA TRP A 90 14.081 -11.330 -1.878 1.00 0.00 H new ATOM 0 HB2 TRP A 90 16.291 -13.167 -2.899 1.00 0.00 H new ATOM 0 HB3 TRP A 90 15.600 -11.888 -3.878 1.00 0.00 H new ATOM 0 HD1 TRP A 90 18.136 -12.480 -1.177 1.00 0.00 H new ATOM 0 HE1 TRP A 90 19.099 -10.260 -0.276 1.00 0.00 H new ATOM 0 HE3 TRP A 90 15.013 -9.226 -3.577 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 18.283 -7.489 -0.248 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 15.022 -6.822 -2.985 1.00 0.00 H new ATOM 0 HH2 TRP A 90 16.576 -5.968 -1.245 1.00 0.00 H new ATOM 1329 N VAL A 91 12.912 -14.177 -2.545 1.00 0.00 N ATOM 1330 CA VAL A 91 11.902 -14.978 -3.281 1.00 0.00 C ATOM 1331 C VAL A 91 10.599 -15.187 -2.502 1.00 0.00 C ATOM 1332 O VAL A 91 9.549 -15.425 -3.092 1.00 0.00 O ATOM 1333 CB VAL A 91 12.466 -16.351 -3.697 1.00 0.00 C ATOM 1334 CG1 VAL A 91 13.577 -16.202 -4.737 1.00 0.00 C ATOM 1335 CG2 VAL A 91 13.021 -17.142 -2.507 1.00 0.00 C ATOM 0 H VAL A 91 13.231 -14.634 -1.690 1.00 0.00 H new ATOM 0 HA VAL A 91 11.665 -14.390 -4.167 1.00 0.00 H new ATOM 0 HB VAL A 91 11.626 -16.900 -4.122 1.00 0.00 H new ATOM 0 HG11 VAL A 91 13.954 -17.187 -5.010 1.00 0.00 H new ATOM 0 HG12 VAL A 91 13.181 -15.706 -5.624 1.00 0.00 H new ATOM 0 HG13 VAL A 91 14.388 -15.606 -4.320 1.00 0.00 H new ATOM 0 HG21 VAL A 91 13.406 -18.101 -2.855 1.00 0.00 H new ATOM 0 HG22 VAL A 91 13.826 -16.577 -2.038 1.00 0.00 H new ATOM 0 HG23 VAL A 91 12.226 -17.312 -1.781 1.00 0.00 H new ATOM 1345 N THR A 92 10.654 -15.061 -1.174 1.00 0.00 N ATOM 1346 CA THR A 92 9.547 -15.299 -0.224 1.00 0.00 C ATOM 1347 C THR A 92 8.615 -14.076 -0.042 1.00 0.00 C ATOM 1348 O THR A 92 7.777 -14.017 0.861 1.00 0.00 O ATOM 1349 CB THR A 92 10.147 -15.833 1.092 1.00 0.00 C ATOM 1350 OG1 THR A 92 9.172 -16.455 1.906 1.00 0.00 O ATOM 1351 CG2 THR A 92 10.853 -14.736 1.881 1.00 0.00 C ATOM 0 H THR A 92 11.512 -14.776 -0.701 1.00 0.00 H new ATOM 0 HA THR A 92 8.877 -16.054 -0.634 1.00 0.00 H new ATOM 0 HB THR A 92 10.884 -16.583 0.805 1.00 0.00 H new ATOM 0 HG1 THR A 92 8.349 -15.924 1.894 1.00 0.00 H new ATOM 0 HG21 THR A 92 11.261 -15.155 2.801 1.00 0.00 H new ATOM 0 HG22 THR A 92 11.662 -14.320 1.281 1.00 0.00 H new ATOM 0 HG23 THR A 92 10.141 -13.948 2.126 1.00 0.00 H new ATOM 1359 N GLN A 93 8.765 -13.071 -0.915 1.00 0.00 N ATOM 1360 CA GLN A 93 7.966 -11.839 -0.950 1.00 0.00 C ATOM 1361 C GLN A 93 6.500 -12.089 -1.353 1.00 0.00 C ATOM 1362 O GLN A 93 6.163 -13.151 -1.882 1.00 0.00 O ATOM 1363 CB GLN A 93 8.612 -10.859 -1.944 1.00 0.00 C ATOM 1364 CG GLN A 93 10.039 -10.438 -1.571 1.00 0.00 C ATOM 1365 CD GLN A 93 10.169 -9.732 -0.221 1.00 0.00 C ATOM 1366 OE1 GLN A 93 9.250 -9.125 0.313 1.00 0.00 O ATOM 1367 NE2 GLN A 93 11.340 -9.773 0.369 1.00 0.00 N ATOM 0 H GLN A 93 9.476 -13.095 -1.646 1.00 0.00 H new ATOM 0 HA GLN A 93 7.952 -11.424 0.058 1.00 0.00 H new ATOM 0 HB2 GLN A 93 8.627 -11.318 -2.933 1.00 0.00 H new ATOM 0 HB3 GLN A 93 7.989 -9.968 -2.016 1.00 0.00 H new ATOM 0 HG2 GLN A 93 10.674 -11.324 -1.564 1.00 0.00 H new ATOM 0 HG3 GLN A 93 10.422 -9.777 -2.349 1.00 0.00 H new ATOM 0 HE21 GLN A 93 12.113 -10.276 -0.067 1.00 0.00 H new ATOM 0 HE22 GLN A 93 11.477 -9.302 1.263 1.00 0.00 H new ATOM 1376 N GLU A 94 5.628 -11.090 -1.155 1.00 0.00 N ATOM 1377 CA GLU A 94 4.217 -11.205 -1.562 1.00 0.00 C ATOM 1378 C GLU A 94 4.041 -11.339 -3.084 1.00 0.00 C ATOM 1379 O GLU A 94 3.177 -12.103 -3.522 1.00 0.00 O ATOM 1380 CB GLU A 94 3.353 -10.069 -0.991 1.00 0.00 C ATOM 1381 CG GLU A 94 3.798 -8.634 -1.301 1.00 0.00 C ATOM 1382 CD GLU A 94 2.740 -7.625 -0.821 1.00 0.00 C ATOM 1383 OE1 GLU A 94 2.717 -7.283 0.388 1.00 0.00 O ATOM 1384 OE2 GLU A 94 1.910 -7.170 -1.645 1.00 0.00 O ATOM 0 H GLU A 94 5.870 -10.200 -0.720 1.00 0.00 H new ATOM 0 HA GLU A 94 3.858 -12.137 -1.126 1.00 0.00 H new ATOM 0 HB2 GLU A 94 2.336 -10.196 -1.363 1.00 0.00 H new ATOM 0 HB3 GLU A 94 3.313 -10.185 0.092 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.751 -8.430 -0.814 1.00 0.00 H new ATOM 0 HG3 GLU A 94 3.957 -8.520 -2.373 1.00 0.00 H new ATOM 1391 N ILE A 95 4.878 -10.659 -3.890 1.00 0.00 N ATOM 1392 CA ILE A 95 4.900 -10.814 -5.358 1.00 0.00 C ATOM 1393 C ILE A 95 6.343 -10.970 -5.872 1.00 0.00 C ATOM 1394 O ILE A 95 7.213 -10.145 -5.583 1.00 0.00 O ATOM 1395 CB ILE A 95 4.135 -9.660 -6.050 1.00 0.00 C ATOM 1396 CG1 ILE A 95 2.700 -9.538 -5.482 1.00 0.00 C ATOM 1397 CG2 ILE A 95 4.104 -9.858 -7.579 1.00 0.00 C ATOM 1398 CD1 ILE A 95 1.853 -8.405 -6.060 1.00 0.00 C ATOM 0 H ILE A 95 5.560 -9.985 -3.541 1.00 0.00 H new ATOM 0 HA ILE A 95 4.375 -11.733 -5.620 1.00 0.00 H new ATOM 0 HB ILE A 95 4.664 -8.730 -5.842 1.00 0.00 H new ATOM 0 HG12 ILE A 95 2.180 -10.480 -5.654 1.00 0.00 H new ATOM 0 HG13 ILE A 95 2.766 -9.403 -4.402 1.00 0.00 H new ATOM 0 HG21 ILE A 95 3.561 -9.034 -8.042 1.00 0.00 H new ATOM 0 HG22 ILE A 95 5.124 -9.882 -7.964 1.00 0.00 H new ATOM 0 HG23 ILE A 95 3.606 -10.798 -7.814 1.00 0.00 H new ATOM 0 HD11 ILE A 95 0.868 -8.412 -5.592 1.00 0.00 H new ATOM 0 HD12 ILE A 95 2.341 -7.450 -5.865 1.00 0.00 H new ATOM 0 HD13 ILE A 95 1.745 -8.544 -7.136 1.00 0.00 H new ATOM 1410 N PHE A 96 6.578 -12.013 -6.675 1.00 0.00 N ATOM 1411 CA PHE A 96 7.858 -12.301 -7.330 1.00 0.00 C ATOM 1412 C PHE A 96 7.675 -12.584 -8.835 1.00 0.00 C ATOM 1413 O PHE A 96 6.652 -13.138 -9.246 1.00 0.00 O ATOM 1414 CB PHE A 96 8.558 -13.469 -6.613 1.00 0.00 C ATOM 1415 CG PHE A 96 9.951 -13.775 -7.140 1.00 0.00 C ATOM 1416 CD1 PHE A 96 11.062 -13.101 -6.604 1.00 0.00 C ATOM 1417 CD2 PHE A 96 10.139 -14.714 -8.175 1.00 0.00 C ATOM 1418 CE1 PHE A 96 12.351 -13.360 -7.095 1.00 0.00 C ATOM 1419 CE2 PHE A 96 11.433 -14.983 -8.658 1.00 0.00 C ATOM 1420 CZ PHE A 96 12.537 -14.303 -8.121 1.00 0.00 C ATOM 0 H PHE A 96 5.859 -12.702 -6.894 1.00 0.00 H new ATOM 0 HA PHE A 96 8.493 -11.418 -7.255 1.00 0.00 H new ATOM 0 HB2 PHE A 96 8.626 -13.240 -5.549 1.00 0.00 H new ATOM 0 HB3 PHE A 96 7.941 -14.362 -6.708 1.00 0.00 H new ATOM 0 HD1 PHE A 96 10.923 -12.381 -5.811 1.00 0.00 H new ATOM 0 HD2 PHE A 96 9.288 -15.228 -8.598 1.00 0.00 H new ATOM 0 HE1 PHE A 96 13.201 -12.835 -6.684 1.00 0.00 H new ATOM 0 HE2 PHE A 96 11.576 -15.712 -9.442 1.00 0.00 H new ATOM 0 HZ PHE A 96 13.530 -14.504 -8.496 1.00 0.00 H new ATOM 1430 N GLU A 97 8.670 -12.234 -9.653 1.00 0.00 N ATOM 1431 CA GLU A 97 8.742 -12.543 -11.094 1.00 0.00 C ATOM 1432 C GLU A 97 10.181 -12.884 -11.526 1.00 0.00 C ATOM 1433 O GLU A 97 11.131 -12.486 -10.856 1.00 0.00 O ATOM 1434 CB GLU A 97 8.295 -11.334 -11.942 1.00 0.00 C ATOM 1435 CG GLU A 97 6.883 -10.768 -11.714 1.00 0.00 C ATOM 1436 CD GLU A 97 5.729 -11.702 -12.143 1.00 0.00 C ATOM 1437 OE1 GLU A 97 5.966 -12.766 -12.767 1.00 0.00 O ATOM 1438 OE2 GLU A 97 4.551 -11.324 -11.917 1.00 0.00 O ATOM 0 H GLU A 97 9.480 -11.708 -9.324 1.00 0.00 H new ATOM 0 HA GLU A 97 8.083 -13.396 -11.256 1.00 0.00 H new ATOM 0 HB2 GLU A 97 9.008 -10.527 -11.773 1.00 0.00 H new ATOM 0 HB3 GLU A 97 8.375 -11.616 -12.992 1.00 0.00 H new ATOM 0 HG2 GLU A 97 6.768 -10.535 -10.655 1.00 0.00 H new ATOM 0 HG3 GLU A 97 6.792 -9.828 -12.259 1.00 0.00 H new ATOM 1445 N ASP A 98 10.361 -13.546 -12.676 1.00 0.00 N ATOM 1446 CA ASP A 98 11.682 -13.728 -13.310 1.00 0.00 C ATOM 1447 C ASP A 98 11.600 -13.636 -14.850 1.00 0.00 C ATOM 1448 O ASP A 98 11.404 -14.640 -15.544 1.00 0.00 O ATOM 1449 CB ASP A 98 12.378 -15.009 -12.833 1.00 0.00 C ATOM 1450 CG ASP A 98 13.820 -15.121 -13.376 1.00 0.00 C ATOM 1451 OD1 ASP A 98 14.425 -14.094 -13.776 1.00 0.00 O ATOM 1452 OD2 ASP A 98 14.342 -16.258 -13.400 1.00 0.00 O ATOM 0 H ASP A 98 9.596 -13.973 -13.198 1.00 0.00 H new ATOM 0 HA ASP A 98 12.310 -12.899 -12.984 1.00 0.00 H new ATOM 0 HB2 ASP A 98 12.399 -15.026 -11.743 1.00 0.00 H new ATOM 0 HB3 ASP A 98 11.801 -15.876 -13.155 1.00 0.00 H new ATOM 1457 N TRP A 99 11.695 -12.410 -15.375 1.00 0.00 N ATOM 1458 CA TRP A 99 11.494 -12.051 -16.787 1.00 0.00 C ATOM 1459 C TRP A 99 12.643 -12.487 -17.714 1.00 0.00 C ATOM 1460 O TRP A 99 13.768 -12.713 -17.272 1.00 0.00 O ATOM 1461 CB TRP A 99 11.275 -10.532 -16.894 1.00 0.00 C ATOM 1462 CG TRP A 99 10.136 -9.933 -16.131 1.00 0.00 C ATOM 1463 CD1 TRP A 99 9.067 -10.600 -15.634 1.00 0.00 C ATOM 1464 CD2 TRP A 99 9.905 -8.524 -15.810 1.00 0.00 C ATOM 1465 NE1 TRP A 99 8.208 -9.713 -15.017 1.00 0.00 N ATOM 1466 CE2 TRP A 99 8.678 -8.424 -15.096 1.00 0.00 C ATOM 1467 CE3 TRP A 99 10.583 -7.311 -16.073 1.00 0.00 C ATOM 1468 CZ2 TRP A 99 8.164 -7.205 -14.654 1.00 0.00 C ATOM 1469 CZ3 TRP A 99 10.074 -6.072 -15.632 1.00 0.00 C ATOM 1470 CH2 TRP A 99 8.861 -6.019 -14.928 1.00 0.00 C ATOM 0 H TRP A 99 11.925 -11.599 -14.800 1.00 0.00 H new ATOM 0 HA TRP A 99 10.615 -12.597 -17.129 1.00 0.00 H new ATOM 0 HB2 TRP A 99 12.191 -10.038 -16.569 1.00 0.00 H new ATOM 0 HB3 TRP A 99 11.137 -10.287 -17.947 1.00 0.00 H new ATOM 0 HD1 TRP A 99 8.910 -11.666 -15.709 1.00 0.00 H new ATOM 0 HE1 TRP A 99 7.336 -9.980 -14.561 1.00 0.00 H new ATOM 0 HE3 TRP A 99 11.512 -7.334 -16.624 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 7.235 -7.174 -14.104 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 10.619 -5.162 -15.836 1.00 0.00 H new ATOM 0 HH2 TRP A 99 8.466 -5.069 -14.599 1.00 0.00 H new ATOM 1481 N GLN A 100 12.359 -12.561 -19.022 1.00 0.00 N ATOM 1482 CA GLN A 100 13.295 -13.056 -20.044 1.00 0.00 C ATOM 1483 C GLN A 100 14.094 -11.892 -20.671 1.00 0.00 C ATOM 1484 O GLN A 100 15.193 -11.562 -20.214 1.00 0.00 O ATOM 1485 CB GLN A 100 12.533 -13.912 -21.086 1.00 0.00 C ATOM 1486 CG GLN A 100 11.728 -15.096 -20.510 1.00 0.00 C ATOM 1487 CD GLN A 100 12.565 -16.257 -19.968 1.00 0.00 C ATOM 1488 OE1 GLN A 100 13.716 -16.471 -20.320 1.00 0.00 O ATOM 1489 NE2 GLN A 100 11.996 -17.071 -19.101 1.00 0.00 N ATOM 0 H GLN A 100 11.459 -12.274 -19.407 1.00 0.00 H new ATOM 0 HA GLN A 100 14.035 -13.707 -19.579 1.00 0.00 H new ATOM 0 HB2 GLN A 100 11.850 -13.263 -21.634 1.00 0.00 H new ATOM 0 HB3 GLN A 100 13.252 -14.300 -21.807 1.00 0.00 H new ATOM 0 HG2 GLN A 100 11.091 -14.724 -19.708 1.00 0.00 H new ATOM 0 HG3 GLN A 100 11.069 -15.478 -21.289 1.00 0.00 H new ATOM 0 HE21 GLN A 100 11.036 -16.904 -18.799 1.00 0.00 H new ATOM 0 HE22 GLN A 100 12.516 -17.868 -18.732 1.00 0.00 H new ATOM 1498 N LEU A 101 13.500 -11.237 -21.681 1.00 0.00 N ATOM 1499 CA LEU A 101 14.114 -10.218 -22.543 1.00 0.00 C ATOM 1500 C LEU A 101 15.474 -10.683 -23.127 1.00 0.00 C ATOM 1501 O LEU A 101 15.835 -11.860 -23.103 1.00 0.00 O ATOM 1502 CB LEU A 101 14.222 -8.870 -21.773 1.00 0.00 C ATOM 1503 CG LEU A 101 12.964 -8.233 -21.154 1.00 0.00 C ATOM 1504 CD1 LEU A 101 11.778 -8.256 -22.103 1.00 0.00 C ATOM 1505 CD2 LEU A 101 12.591 -8.815 -19.797 1.00 0.00 C ATOM 0 H LEU A 101 12.527 -11.414 -21.930 1.00 0.00 H new ATOM 0 HA LEU A 101 13.467 -10.062 -23.406 1.00 0.00 H new ATOM 0 HB2 LEU A 101 14.942 -9.014 -20.968 1.00 0.00 H new ATOM 0 HB3 LEU A 101 14.652 -8.139 -22.458 1.00 0.00 H new ATOM 0 HG LEU A 101 13.232 -7.191 -20.980 1.00 0.00 H new ATOM 0 HD11 LEU A 101 10.916 -7.796 -21.620 1.00 0.00 H new ATOM 0 HD12 LEU A 101 12.026 -7.702 -23.008 1.00 0.00 H new ATOM 0 HD13 LEU A 101 11.540 -9.287 -22.363 1.00 0.00 H new ATOM 0 HD21 LEU A 101 11.696 -8.319 -19.422 1.00 0.00 H new ATOM 0 HD22 LEU A 101 12.398 -9.883 -19.900 1.00 0.00 H new ATOM 0 HD23 LEU A 101 13.412 -8.660 -19.097 1.00 0.00 H new ATOM 1517 N GLU A 102 16.227 -9.734 -23.678 1.00 0.00 N ATOM 1518 CA GLU A 102 17.629 -9.885 -24.077 1.00 0.00 C ATOM 1519 C GLU A 102 18.371 -8.624 -23.631 1.00 0.00 C ATOM 1520 O GLU A 102 17.762 -7.557 -23.572 1.00 0.00 O ATOM 1521 CB GLU A 102 17.771 -10.165 -25.580 1.00 0.00 C ATOM 1522 CG GLU A 102 17.466 -8.990 -26.518 1.00 0.00 C ATOM 1523 CD GLU A 102 17.754 -9.388 -27.978 1.00 0.00 C ATOM 1524 OE1 GLU A 102 18.944 -9.601 -28.317 1.00 0.00 O ATOM 1525 OE2 GLU A 102 16.799 -9.496 -28.787 1.00 0.00 O ATOM 0 H GLU A 102 15.865 -8.800 -23.868 1.00 0.00 H new ATOM 0 HA GLU A 102 18.072 -10.755 -23.592 1.00 0.00 H new ATOM 0 HB2 GLU A 102 18.790 -10.501 -25.771 1.00 0.00 H new ATOM 0 HB3 GLU A 102 17.109 -10.991 -25.839 1.00 0.00 H new ATOM 0 HG2 GLU A 102 16.423 -8.693 -26.413 1.00 0.00 H new ATOM 0 HG3 GLU A 102 18.073 -8.127 -26.242 1.00 0.00 H new ATOM 1532 N ASP A 103 19.650 -8.714 -23.266 1.00 0.00 N ATOM 1533 CA ASP A 103 20.375 -7.520 -22.825 1.00 0.00 C ATOM 1534 C ASP A 103 20.970 -6.759 -24.026 1.00 0.00 C ATOM 1535 O ASP A 103 21.643 -7.377 -24.861 1.00 0.00 O ATOM 1536 CB ASP A 103 21.427 -7.864 -21.766 1.00 0.00 C ATOM 1537 CG ASP A 103 21.495 -6.731 -20.755 1.00 0.00 C ATOM 1538 OD1 ASP A 103 20.732 -6.787 -19.762 1.00 0.00 O ATOM 1539 OD2 ASP A 103 22.240 -5.755 -20.974 1.00 0.00 O ATOM 0 H ASP A 103 20.195 -9.576 -23.265 1.00 0.00 H new ATOM 0 HA ASP A 103 19.663 -6.848 -22.346 1.00 0.00 H new ATOM 0 HB2 ASP A 103 21.169 -8.799 -21.268 1.00 0.00 H new ATOM 0 HB3 ASP A 103 22.400 -8.010 -22.235 1.00 0.00 H new ATOM 1544 N PRO A 104 20.761 -5.433 -24.152 1.00 0.00 N ATOM 1545 CA PRO A 104 21.333 -4.668 -25.260 1.00 0.00 C ATOM 1546 C PRO A 104 22.863 -4.505 -25.208 1.00 0.00 C ATOM 1547 O PRO A 104 23.460 -4.112 -26.209 1.00 0.00 O ATOM 1548 CB PRO A 104 20.655 -3.299 -25.205 1.00 0.00 C ATOM 1549 CG PRO A 104 19.360 -3.550 -24.445 1.00 0.00 C ATOM 1550 CD PRO A 104 19.774 -4.626 -23.447 1.00 0.00 C ATOM 0 HA PRO A 104 21.154 -5.206 -26.191 1.00 0.00 H new ATOM 0 HB2 PRO A 104 21.280 -2.566 -24.695 1.00 0.00 H new ATOM 0 HB3 PRO A 104 20.460 -2.911 -26.205 1.00 0.00 H new ATOM 0 HG2 PRO A 104 19.000 -2.650 -23.947 1.00 0.00 H new ATOM 0 HG3 PRO A 104 18.561 -3.891 -25.104 1.00 0.00 H new ATOM 0 HD2 PRO A 104 20.196 -4.185 -22.544 1.00 0.00 H new ATOM 0 HD3 PRO A 104 18.919 -5.228 -23.138 1.00 0.00 H new ATOM 1558 N ASP A 105 23.514 -4.775 -24.069 1.00 0.00 N ATOM 1559 CA ASP A 105 24.965 -4.614 -23.918 1.00 0.00 C ATOM 1560 C ASP A 105 25.767 -5.361 -25.003 1.00 0.00 C ATOM 1561 O ASP A 105 25.618 -6.573 -25.194 1.00 0.00 O ATOM 1562 CB ASP A 105 25.389 -5.082 -22.526 1.00 0.00 C ATOM 1563 CG ASP A 105 26.890 -4.843 -22.332 1.00 0.00 C ATOM 1564 OD1 ASP A 105 27.314 -3.666 -22.308 1.00 0.00 O ATOM 1565 OD2 ASP A 105 27.672 -5.808 -22.175 1.00 0.00 O ATOM 0 H ASP A 105 23.049 -5.111 -23.226 1.00 0.00 H new ATOM 0 HA ASP A 105 25.190 -3.555 -24.041 1.00 0.00 H new ATOM 0 HB2 ASP A 105 24.825 -4.544 -21.764 1.00 0.00 H new ATOM 0 HB3 ASP A 105 25.161 -6.141 -22.403 1.00 0.00 H new ATOM 1570 N GLY A 106 26.627 -4.627 -25.721 1.00 0.00 N ATOM 1571 CA GLY A 106 27.436 -5.147 -26.834 1.00 0.00 C ATOM 1572 C GLY A 106 26.661 -5.447 -28.133 1.00 0.00 C ATOM 1573 O GLY A 106 27.262 -5.946 -29.088 1.00 0.00 O ATOM 0 H GLY A 106 26.784 -3.635 -25.542 1.00 0.00 H new ATOM 0 HA2 GLY A 106 28.221 -4.425 -27.058 1.00 0.00 H new ATOM 0 HA3 GLY A 106 27.929 -6.062 -26.506 1.00 0.00 H new ATOM 1577 N GLN A 107 25.356 -5.153 -28.194 1.00 0.00 N ATOM 1578 CA GLN A 107 24.492 -5.350 -29.369 1.00 0.00 C ATOM 1579 C GLN A 107 24.189 -4.030 -30.114 1.00 0.00 C ATOM 1580 O GLN A 107 24.708 -2.967 -29.765 1.00 0.00 O ATOM 1581 CB GLN A 107 23.216 -6.106 -28.956 1.00 0.00 C ATOM 1582 CG GLN A 107 23.510 -7.458 -28.284 1.00 0.00 C ATOM 1583 CD GLN A 107 22.325 -8.405 -28.448 1.00 0.00 C ATOM 1584 OE1 GLN A 107 22.168 -9.058 -29.473 1.00 0.00 O ATOM 1585 NE2 GLN A 107 21.422 -8.487 -27.500 1.00 0.00 N ATOM 0 H GLN A 107 24.853 -4.757 -27.399 1.00 0.00 H new ATOM 0 HA GLN A 107 25.032 -5.963 -30.090 1.00 0.00 H new ATOM 0 HB2 GLN A 107 22.637 -5.485 -28.272 1.00 0.00 H new ATOM 0 HB3 GLN A 107 22.597 -6.272 -29.838 1.00 0.00 H new ATOM 0 HG2 GLN A 107 24.402 -7.903 -28.724 1.00 0.00 H new ATOM 0 HG3 GLN A 107 23.718 -7.307 -27.225 1.00 0.00 H new ATOM 0 HE21 GLN A 107 21.536 -7.951 -26.640 1.00 0.00 H new ATOM 0 HE22 GLN A 107 20.606 -9.087 -27.623 1.00 0.00 H new ATOM 1594 N SER A 108 23.372 -4.098 -31.177 1.00 0.00 N ATOM 1595 CA SER A 108 23.048 -2.939 -32.027 1.00 0.00 C ATOM 1596 C SER A 108 22.089 -1.975 -31.324 1.00 0.00 C ATOM 1597 O SER A 108 21.282 -2.386 -30.491 1.00 0.00 O ATOM 1598 CB SER A 108 22.468 -3.423 -33.366 1.00 0.00 C ATOM 1599 OG SER A 108 22.111 -2.325 -34.189 1.00 0.00 O ATOM 0 H SER A 108 22.916 -4.961 -31.473 1.00 0.00 H new ATOM 0 HA SER A 108 23.967 -2.386 -32.221 1.00 0.00 H new ATOM 0 HB2 SER A 108 23.200 -4.045 -33.880 1.00 0.00 H new ATOM 0 HB3 SER A 108 21.592 -4.046 -33.184 1.00 0.00 H new ATOM 0 HG SER A 108 21.746 -2.656 -35.036 1.00 0.00 H new ATOM 1605 N LEU A 109 22.097 -0.697 -31.707 1.00 0.00 N ATOM 1606 CA LEU A 109 21.164 0.317 -31.187 1.00 0.00 C ATOM 1607 C LEU A 109 19.706 -0.003 -31.565 1.00 0.00 C ATOM 1608 O LEU A 109 18.788 0.358 -30.834 1.00 0.00 O ATOM 1609 CB LEU A 109 21.640 1.718 -31.619 1.00 0.00 C ATOM 1610 CG LEU A 109 22.717 2.319 -30.687 1.00 0.00 C ATOM 1611 CD1 LEU A 109 23.956 1.436 -30.495 1.00 0.00 C ATOM 1612 CD2 LEU A 109 23.176 3.665 -31.244 1.00 0.00 C ATOM 0 H LEU A 109 22.756 -0.328 -32.393 1.00 0.00 H new ATOM 0 HA LEU A 109 21.170 0.301 -30.097 1.00 0.00 H new ATOM 0 HB2 LEU A 109 22.038 1.661 -32.632 1.00 0.00 H new ATOM 0 HB3 LEU A 109 20.783 2.390 -31.651 1.00 0.00 H new ATOM 0 HG LEU A 109 22.240 2.415 -29.712 1.00 0.00 H new ATOM 0 HD11 LEU A 109 24.658 1.935 -29.827 1.00 0.00 H new ATOM 0 HD12 LEU A 109 23.659 0.481 -30.061 1.00 0.00 H new ATOM 0 HD13 LEU A 109 24.433 1.263 -31.460 1.00 0.00 H new ATOM 0 HD21 LEU A 109 23.936 4.090 -30.588 1.00 0.00 H new ATOM 0 HD22 LEU A 109 23.595 3.523 -32.240 1.00 0.00 H new ATOM 0 HD23 LEU A 109 22.325 4.344 -31.302 1.00 0.00 H new ATOM 1624 N GLU A 110 19.479 -0.793 -32.615 1.00 0.00 N ATOM 1625 CA GLU A 110 18.152 -1.346 -32.925 1.00 0.00 C ATOM 1626 C GLU A 110 17.698 -2.351 -31.847 1.00 0.00 C ATOM 1627 O GLU A 110 16.520 -2.391 -31.495 1.00 0.00 O ATOM 1628 CB GLU A 110 18.189 -1.982 -34.324 1.00 0.00 C ATOM 1629 CG GLU A 110 16.796 -2.386 -34.825 1.00 0.00 C ATOM 1630 CD GLU A 110 16.863 -2.905 -36.274 1.00 0.00 C ATOM 1631 OE1 GLU A 110 17.132 -4.114 -36.483 1.00 0.00 O ATOM 1632 OE2 GLU A 110 16.641 -2.109 -37.220 1.00 0.00 O ATOM 0 H GLU A 110 20.205 -1.069 -33.276 1.00 0.00 H new ATOM 0 HA GLU A 110 17.415 -0.543 -32.925 1.00 0.00 H new ATOM 0 HB2 GLU A 110 18.634 -1.278 -35.027 1.00 0.00 H new ATOM 0 HB3 GLU A 110 18.833 -2.861 -34.302 1.00 0.00 H new ATOM 0 HG2 GLU A 110 16.382 -3.158 -34.177 1.00 0.00 H new ATOM 0 HG3 GLU A 110 16.123 -1.530 -34.772 1.00 0.00 H new ATOM 1639 N VAL A 111 18.628 -3.091 -31.224 1.00 0.00 N ATOM 1640 CA VAL A 111 18.333 -3.970 -30.075 1.00 0.00 C ATOM 1641 C VAL A 111 17.982 -3.144 -28.840 1.00 0.00 C ATOM 1642 O VAL A 111 16.967 -3.422 -28.213 1.00 0.00 O ATOM 1643 CB VAL A 111 19.451 -4.990 -29.780 1.00 0.00 C ATOM 1644 CG1 VAL A 111 19.058 -5.912 -28.622 1.00 0.00 C ATOM 1645 CG2 VAL A 111 19.720 -5.873 -31.005 1.00 0.00 C ATOM 0 H VAL A 111 19.610 -3.099 -31.501 1.00 0.00 H new ATOM 0 HA VAL A 111 17.463 -4.565 -30.353 1.00 0.00 H new ATOM 0 HB VAL A 111 20.343 -4.419 -29.521 1.00 0.00 H new ATOM 0 HG11 VAL A 111 19.863 -6.622 -28.433 1.00 0.00 H new ATOM 0 HG12 VAL A 111 18.882 -5.316 -27.726 1.00 0.00 H new ATOM 0 HG13 VAL A 111 18.149 -6.454 -28.881 1.00 0.00 H new ATOM 0 HG21 VAL A 111 20.512 -6.585 -30.773 1.00 0.00 H new ATOM 0 HG22 VAL A 111 18.812 -6.414 -31.270 1.00 0.00 H new ATOM 0 HG23 VAL A 111 20.027 -5.248 -31.844 1.00 0.00 H new ATOM 1655 N PHE A 112 18.722 -2.068 -28.539 1.00 0.00 N ATOM 1656 CA PHE A 112 18.334 -1.106 -27.486 1.00 0.00 C ATOM 1657 C PHE A 112 16.907 -0.577 -27.711 1.00 0.00 C ATOM 1658 O PHE A 112 16.067 -0.642 -26.813 1.00 0.00 O ATOM 1659 CB PHE A 112 19.326 0.071 -27.429 1.00 0.00 C ATOM 1660 CG PHE A 112 20.659 -0.196 -26.754 1.00 0.00 C ATOM 1661 CD1 PHE A 112 21.731 -0.771 -27.460 1.00 0.00 C ATOM 1662 CD2 PHE A 112 20.842 0.169 -25.409 1.00 0.00 C ATOM 1663 CE1 PHE A 112 22.970 -0.985 -26.836 1.00 0.00 C ATOM 1664 CE2 PHE A 112 22.083 -0.037 -24.785 1.00 0.00 C ATOM 1665 CZ PHE A 112 23.149 -0.617 -25.494 1.00 0.00 C ATOM 0 H PHE A 112 19.597 -1.837 -29.009 1.00 0.00 H new ATOM 0 HA PHE A 112 18.358 -1.636 -26.534 1.00 0.00 H new ATOM 0 HB2 PHE A 112 19.521 0.402 -28.449 1.00 0.00 H new ATOM 0 HB3 PHE A 112 18.842 0.900 -26.912 1.00 0.00 H new ATOM 0 HD1 PHE A 112 21.599 -1.051 -28.495 1.00 0.00 H new ATOM 0 HD2 PHE A 112 20.026 0.609 -24.854 1.00 0.00 H new ATOM 0 HE1 PHE A 112 23.784 -1.432 -27.388 1.00 0.00 H new ATOM 0 HE2 PHE A 112 22.219 0.252 -23.753 1.00 0.00 H new ATOM 0 HZ PHE A 112 24.100 -0.778 -25.009 1.00 0.00 H new ATOM 1675 N ARG A 113 16.603 -0.127 -28.936 1.00 0.00 N ATOM 1676 CA ARG A 113 15.286 0.434 -29.302 1.00 0.00 C ATOM 1677 C ARG A 113 14.150 -0.602 -29.384 1.00 0.00 C ATOM 1678 O ARG A 113 12.992 -0.207 -29.297 1.00 0.00 O ATOM 1679 CB ARG A 113 15.420 1.246 -30.611 1.00 0.00 C ATOM 1680 CG ARG A 113 16.255 2.528 -30.428 1.00 0.00 C ATOM 1681 CD ARG A 113 16.286 3.367 -31.711 1.00 0.00 C ATOM 1682 NE ARG A 113 16.790 4.734 -31.454 1.00 0.00 N ATOM 1683 CZ ARG A 113 17.720 5.406 -32.104 1.00 0.00 C ATOM 1684 NH1 ARG A 113 18.395 4.895 -33.097 1.00 0.00 N ATOM 1685 NH2 ARG A 113 17.979 6.633 -31.764 1.00 0.00 N ATOM 0 H ARG A 113 17.267 -0.140 -29.710 1.00 0.00 H new ATOM 0 HA ARG A 113 14.986 1.093 -28.487 1.00 0.00 H new ATOM 0 HB2 ARG A 113 15.882 0.622 -31.376 1.00 0.00 H new ATOM 0 HB3 ARG A 113 14.427 1.512 -30.973 1.00 0.00 H new ATOM 0 HG2 ARG A 113 15.839 3.121 -29.614 1.00 0.00 H new ATOM 0 HG3 ARG A 113 17.273 2.263 -30.141 1.00 0.00 H new ATOM 0 HD2 ARG A 113 16.919 2.878 -32.451 1.00 0.00 H new ATOM 0 HD3 ARG A 113 15.283 3.422 -32.135 1.00 0.00 H new ATOM 0 HE ARG A 113 16.360 5.222 -30.668 1.00 0.00 H new ATOM 0 HH11 ARG A 113 18.212 3.938 -33.399 1.00 0.00 H new ATOM 0 HH12 ARG A 113 19.106 5.452 -33.571 1.00 0.00 H new ATOM 0 HH21 ARG A 113 17.464 7.070 -30.999 1.00 0.00 H new ATOM 0 HH22 ARG A 113 18.697 7.159 -32.262 1.00 0.00 H new ATOM 1699 N THR A 114 14.456 -1.900 -29.460 1.00 0.00 N ATOM 1700 CA THR A 114 13.466 -2.996 -29.418 1.00 0.00 C ATOM 1701 C THR A 114 13.289 -3.584 -28.008 1.00 0.00 C ATOM 1702 O THR A 114 12.175 -3.927 -27.622 1.00 0.00 O ATOM 1703 CB THR A 114 13.786 -4.094 -30.454 1.00 0.00 C ATOM 1704 OG1 THR A 114 14.075 -3.527 -31.713 1.00 0.00 O ATOM 1705 CG2 THR A 114 12.608 -5.040 -30.702 1.00 0.00 C ATOM 0 H THR A 114 15.416 -2.232 -29.554 1.00 0.00 H new ATOM 0 HA THR A 114 12.508 -2.554 -29.691 1.00 0.00 H new ATOM 0 HB THR A 114 14.632 -4.637 -30.034 1.00 0.00 H new ATOM 0 HG1 THR A 114 14.993 -3.183 -31.714 1.00 0.00 H new ATOM 0 HG21 THR A 114 12.893 -5.790 -31.439 1.00 0.00 H new ATOM 0 HG22 THR A 114 12.335 -5.533 -29.769 1.00 0.00 H new ATOM 0 HG23 THR A 114 11.756 -4.471 -31.074 1.00 0.00 H new ATOM 1713 N VAL A 115 14.347 -3.678 -27.189 1.00 0.00 N ATOM 1714 CA VAL A 115 14.268 -4.179 -25.792 1.00 0.00 C ATOM 1715 C VAL A 115 13.533 -3.197 -24.890 1.00 0.00 C ATOM 1716 O VAL A 115 12.735 -3.625 -24.061 1.00 0.00 O ATOM 1717 CB VAL A 115 15.665 -4.531 -25.239 1.00 0.00 C ATOM 1718 CG1 VAL A 115 15.644 -4.888 -23.745 1.00 0.00 C ATOM 1719 CG2 VAL A 115 16.223 -5.747 -25.982 1.00 0.00 C ATOM 0 H VAL A 115 15.290 -3.409 -27.470 1.00 0.00 H new ATOM 0 HA VAL A 115 13.686 -5.101 -25.805 1.00 0.00 H new ATOM 0 HB VAL A 115 16.281 -3.643 -25.382 1.00 0.00 H new ATOM 0 HG11 VAL A 115 16.655 -5.126 -23.414 1.00 0.00 H new ATOM 0 HG12 VAL A 115 15.265 -4.041 -23.174 1.00 0.00 H new ATOM 0 HG13 VAL A 115 14.997 -5.751 -23.586 1.00 0.00 H new ATOM 0 HG21 VAL A 115 17.210 -5.992 -25.589 1.00 0.00 H new ATOM 0 HG22 VAL A 115 15.555 -6.597 -25.842 1.00 0.00 H new ATOM 0 HG23 VAL A 115 16.303 -5.519 -27.045 1.00 0.00 H new ATOM 1729 N ARG A 116 13.715 -1.888 -25.089 1.00 0.00 N ATOM 1730 CA ARG A 116 13.080 -0.847 -24.255 1.00 0.00 C ATOM 1731 C ARG A 116 11.548 -0.970 -24.182 1.00 0.00 C ATOM 1732 O ARG A 116 10.979 -0.942 -23.100 1.00 0.00 O ATOM 1733 CB ARG A 116 13.580 0.531 -24.739 1.00 0.00 C ATOM 1734 CG ARG A 116 12.934 1.026 -26.035 1.00 0.00 C ATOM 1735 CD ARG A 116 13.580 2.333 -26.493 1.00 0.00 C ATOM 1736 NE ARG A 116 12.942 2.798 -27.744 1.00 0.00 N ATOM 1737 CZ ARG A 116 13.282 3.851 -28.461 1.00 0.00 C ATOM 1738 NH1 ARG A 116 14.264 4.617 -28.111 1.00 0.00 N ATOM 1739 NH2 ARG A 116 12.662 4.143 -29.562 1.00 0.00 N ATOM 0 H ARG A 116 14.306 -1.514 -25.831 1.00 0.00 H new ATOM 0 HA ARG A 116 13.382 -0.982 -23.217 1.00 0.00 H new ATOM 0 HB2 ARG A 116 13.397 1.265 -23.954 1.00 0.00 H new ATOM 0 HB3 ARG A 116 14.659 0.481 -24.883 1.00 0.00 H new ATOM 0 HG2 ARG A 116 13.040 0.270 -26.813 1.00 0.00 H new ATOM 0 HG3 ARG A 116 11.866 1.177 -25.881 1.00 0.00 H new ATOM 0 HD2 ARG A 116 13.476 3.092 -25.717 1.00 0.00 H new ATOM 0 HD3 ARG A 116 14.648 2.185 -26.652 1.00 0.00 H new ATOM 0 HE ARG A 116 12.156 2.246 -28.088 1.00 0.00 H new ATOM 0 HH11 ARG A 116 14.794 4.412 -27.264 1.00 0.00 H new ATOM 0 HH12 ARG A 116 14.508 5.426 -28.682 1.00 0.00 H new ATOM 0 HH21 ARG A 116 11.896 3.553 -29.888 1.00 0.00 H new ATOM 0 HH22 ARG A 116 12.940 4.962 -30.102 1.00 0.00 H new ATOM 1753 N GLY A 117 10.896 -1.244 -25.316 1.00 0.00 N ATOM 1754 CA GLY A 117 9.441 -1.440 -25.406 1.00 0.00 C ATOM 1755 C GLY A 117 8.971 -2.747 -24.758 1.00 0.00 C ATOM 1756 O GLY A 117 7.918 -2.780 -24.125 1.00 0.00 O ATOM 0 H GLY A 117 11.370 -1.338 -26.214 1.00 0.00 H new ATOM 0 HA2 GLY A 117 8.937 -0.601 -24.926 1.00 0.00 H new ATOM 0 HA3 GLY A 117 9.143 -1.433 -26.455 1.00 0.00 H new ATOM 1760 N GLN A 118 9.798 -3.797 -24.807 1.00 0.00 N ATOM 1761 CA GLN A 118 9.524 -5.076 -24.141 1.00 0.00 C ATOM 1762 C GLN A 118 9.621 -4.925 -22.621 1.00 0.00 C ATOM 1763 O GLN A 118 8.715 -5.321 -21.899 1.00 0.00 O ATOM 1764 CB GLN A 118 10.432 -6.181 -24.704 1.00 0.00 C ATOM 1765 CG GLN A 118 10.087 -6.505 -26.166 1.00 0.00 C ATOM 1766 CD GLN A 118 11.152 -7.396 -26.787 1.00 0.00 C ATOM 1767 OE1 GLN A 118 11.108 -8.617 -26.751 1.00 0.00 O ATOM 1768 NE2 GLN A 118 12.176 -6.785 -27.342 1.00 0.00 N ATOM 0 H GLN A 118 10.683 -3.783 -25.314 1.00 0.00 H new ATOM 0 HA GLN A 118 8.499 -5.382 -24.352 1.00 0.00 H new ATOM 0 HB2 GLN A 118 11.474 -5.867 -24.636 1.00 0.00 H new ATOM 0 HB3 GLN A 118 10.330 -7.081 -24.097 1.00 0.00 H new ATOM 0 HG2 GLN A 118 9.118 -7.001 -26.214 1.00 0.00 H new ATOM 0 HG3 GLN A 118 10.001 -5.581 -26.738 1.00 0.00 H new ATOM 0 HE21 GLN A 118 12.208 -5.766 -27.370 1.00 0.00 H new ATOM 0 HE22 GLN A 118 12.938 -7.330 -27.745 1.00 0.00 H new ATOM 1777 N VAL A 119 10.656 -4.245 -22.121 1.00 0.00 N ATOM 1778 CA VAL A 119 10.776 -3.870 -20.692 1.00 0.00 C ATOM 1779 C VAL A 119 9.609 -2.978 -20.257 1.00 0.00 C ATOM 1780 O VAL A 119 9.026 -3.230 -19.207 1.00 0.00 O ATOM 1781 CB VAL A 119 12.128 -3.193 -20.417 1.00 0.00 C ATOM 1782 CG1 VAL A 119 12.258 -2.628 -18.996 1.00 0.00 C ATOM 1783 CG2 VAL A 119 13.288 -4.179 -20.615 1.00 0.00 C ATOM 0 H VAL A 119 11.443 -3.933 -22.691 1.00 0.00 H new ATOM 0 HA VAL A 119 10.732 -4.783 -20.098 1.00 0.00 H new ATOM 0 HB VAL A 119 12.173 -2.369 -21.129 1.00 0.00 H new ATOM 0 HG11 VAL A 119 13.238 -2.166 -18.876 1.00 0.00 H new ATOM 0 HG12 VAL A 119 11.482 -1.881 -18.829 1.00 0.00 H new ATOM 0 HG13 VAL A 119 12.147 -3.435 -18.272 1.00 0.00 H new ATOM 0 HG21 VAL A 119 14.233 -3.674 -20.414 1.00 0.00 H new ATOM 0 HG22 VAL A 119 13.172 -5.019 -19.930 1.00 0.00 H new ATOM 0 HG23 VAL A 119 13.283 -4.545 -21.642 1.00 0.00 H new ATOM 1793 N LYS A 120 9.207 -1.999 -21.079 1.00 0.00 N ATOM 1794 CA LYS A 120 8.052 -1.121 -20.811 1.00 0.00 C ATOM 1795 C LYS A 120 6.770 -1.915 -20.586 1.00 0.00 C ATOM 1796 O LYS A 120 6.119 -1.685 -19.578 1.00 0.00 O ATOM 1797 CB LYS A 120 7.931 -0.073 -21.936 1.00 0.00 C ATOM 1798 CG LYS A 120 6.853 0.995 -21.678 1.00 0.00 C ATOM 1799 CD LYS A 120 5.513 0.721 -22.381 1.00 0.00 C ATOM 1800 CE LYS A 120 4.587 1.932 -22.191 1.00 0.00 C ATOM 1801 NZ LYS A 120 3.258 1.721 -22.830 1.00 0.00 N ATOM 0 H LYS A 120 9.678 -1.789 -21.959 1.00 0.00 H new ATOM 0 HA LYS A 120 8.219 -0.587 -19.876 1.00 0.00 H new ATOM 0 HB2 LYS A 120 8.894 0.420 -22.065 1.00 0.00 H new ATOM 0 HB3 LYS A 120 7.706 -0.583 -22.873 1.00 0.00 H new ATOM 0 HG2 LYS A 120 6.679 1.068 -20.604 1.00 0.00 H new ATOM 0 HG3 LYS A 120 7.231 1.963 -22.006 1.00 0.00 H new ATOM 0 HD2 LYS A 120 5.677 0.536 -23.443 1.00 0.00 H new ATOM 0 HD3 LYS A 120 5.049 -0.175 -21.969 1.00 0.00 H new ATOM 0 HE2 LYS A 120 4.452 2.122 -21.126 1.00 0.00 H new ATOM 0 HE3 LYS A 120 5.057 2.819 -22.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 2.760 2.631 -22.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 3.390 1.319 -23.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 2.695 1.065 -22.252 1.00 0.00 H new ATOM 1815 N GLU A 121 6.431 -2.892 -21.428 1.00 0.00 N ATOM 1816 CA GLU A 121 5.241 -3.738 -21.197 1.00 0.00 C ATOM 1817 C GLU A 121 5.400 -4.715 -20.018 1.00 0.00 C ATOM 1818 O GLU A 121 4.411 -5.016 -19.342 1.00 0.00 O ATOM 1819 CB GLU A 121 4.784 -4.475 -22.467 1.00 0.00 C ATOM 1820 CG GLU A 121 5.818 -5.438 -23.054 1.00 0.00 C ATOM 1821 CD GLU A 121 5.187 -6.546 -23.911 1.00 0.00 C ATOM 1822 OE1 GLU A 121 4.541 -6.244 -24.945 1.00 0.00 O ATOM 1823 OE2 GLU A 121 5.356 -7.736 -23.544 1.00 0.00 O ATOM 0 H GLU A 121 6.954 -3.123 -22.273 1.00 0.00 H new ATOM 0 HA GLU A 121 4.452 -3.039 -20.918 1.00 0.00 H new ATOM 0 HB2 GLU A 121 3.876 -5.033 -22.240 1.00 0.00 H new ATOM 0 HB3 GLU A 121 4.523 -3.737 -23.225 1.00 0.00 H new ATOM 0 HG2 GLU A 121 6.527 -4.875 -23.662 1.00 0.00 H new ATOM 0 HG3 GLU A 121 6.385 -5.893 -22.242 1.00 0.00 H new ATOM 1830 N ARG A 122 6.627 -5.169 -19.708 1.00 0.00 N ATOM 1831 CA ARG A 122 6.878 -5.975 -18.494 1.00 0.00 C ATOM 1832 C ARG A 122 6.548 -5.151 -17.239 1.00 0.00 C ATOM 1833 O ARG A 122 5.693 -5.541 -16.452 1.00 0.00 O ATOM 1834 CB ARG A 122 8.313 -6.538 -18.397 1.00 0.00 C ATOM 1835 CG ARG A 122 8.934 -7.359 -19.541 1.00 0.00 C ATOM 1836 CD ARG A 122 8.000 -8.096 -20.501 1.00 0.00 C ATOM 1837 NE ARG A 122 7.244 -9.161 -19.810 1.00 0.00 N ATOM 1838 CZ ARG A 122 6.116 -9.739 -20.195 1.00 0.00 C ATOM 1839 NH1 ARG A 122 5.470 -9.411 -21.276 1.00 0.00 N ATOM 1840 NH2 ARG A 122 5.593 -10.683 -19.470 1.00 0.00 N ATOM 0 H ARG A 122 7.457 -4.995 -20.275 1.00 0.00 H new ATOM 0 HA ARG A 122 6.220 -6.841 -18.564 1.00 0.00 H new ATOM 0 HB2 ARG A 122 8.975 -5.690 -18.220 1.00 0.00 H new ATOM 0 HB3 ARG A 122 8.349 -7.162 -17.504 1.00 0.00 H new ATOM 0 HG2 ARG A 122 9.554 -6.686 -20.133 1.00 0.00 H new ATOM 0 HG3 ARG A 122 9.601 -8.097 -19.095 1.00 0.00 H new ATOM 0 HD2 ARG A 122 7.304 -7.387 -20.950 1.00 0.00 H new ATOM 0 HD3 ARG A 122 8.581 -8.530 -21.314 1.00 0.00 H new ATOM 0 HE ARG A 122 7.639 -9.491 -18.929 1.00 0.00 H new ATOM 0 HH11 ARG A 122 5.829 -8.671 -21.880 1.00 0.00 H new ATOM 0 HH12 ARG A 122 4.605 -9.894 -21.520 1.00 0.00 H new ATOM 0 HH21 ARG A 122 6.051 -10.977 -18.607 1.00 0.00 H new ATOM 0 HH22 ARG A 122 4.724 -11.130 -19.764 1.00 0.00 H new ATOM 1854 N VAL A 123 7.150 -3.965 -17.121 1.00 0.00 N ATOM 1855 CA VAL A 123 6.833 -2.946 -16.102 1.00 0.00 C ATOM 1856 C VAL A 123 5.347 -2.586 -16.072 1.00 0.00 C ATOM 1857 O VAL A 123 4.755 -2.623 -15.002 1.00 0.00 O ATOM 1858 CB VAL A 123 7.698 -1.703 -16.364 1.00 0.00 C ATOM 1859 CG1 VAL A 123 7.318 -0.490 -15.524 1.00 0.00 C ATOM 1860 CG2 VAL A 123 9.181 -2.004 -16.092 1.00 0.00 C ATOM 0 H VAL A 123 7.897 -3.672 -17.750 1.00 0.00 H new ATOM 0 HA VAL A 123 7.060 -3.359 -15.119 1.00 0.00 H new ATOM 0 HB VAL A 123 7.520 -1.460 -17.412 1.00 0.00 H new ATOM 0 HG11 VAL A 123 7.976 0.343 -15.770 1.00 0.00 H new ATOM 0 HG12 VAL A 123 6.285 -0.211 -15.734 1.00 0.00 H new ATOM 0 HG13 VAL A 123 7.420 -0.733 -14.466 1.00 0.00 H new ATOM 0 HG21 VAL A 123 9.775 -1.110 -16.284 1.00 0.00 H new ATOM 0 HG22 VAL A 123 9.306 -2.307 -15.052 1.00 0.00 H new ATOM 0 HG23 VAL A 123 9.515 -2.809 -16.747 1.00 0.00 H new ATOM 1870 N GLU A 124 4.718 -2.251 -17.202 1.00 0.00 N ATOM 1871 CA GLU A 124 3.329 -1.800 -17.242 1.00 0.00 C ATOM 1872 C GLU A 124 2.354 -2.862 -16.731 1.00 0.00 C ATOM 1873 O GLU A 124 1.549 -2.575 -15.845 1.00 0.00 O ATOM 1874 CB GLU A 124 2.977 -1.393 -18.686 1.00 0.00 C ATOM 1875 CG GLU A 124 1.898 -0.322 -18.695 1.00 0.00 C ATOM 1876 CD GLU A 124 1.209 -0.223 -20.073 1.00 0.00 C ATOM 1877 OE1 GLU A 124 1.888 0.123 -21.069 1.00 0.00 O ATOM 1878 OE2 GLU A 124 -0.015 -0.486 -20.165 1.00 0.00 O ATOM 0 H GLU A 124 5.163 -2.286 -18.119 1.00 0.00 H new ATOM 0 HA GLU A 124 3.231 -0.944 -16.575 1.00 0.00 H new ATOM 0 HB2 GLU A 124 3.868 -1.022 -19.192 1.00 0.00 H new ATOM 0 HB3 GLU A 124 2.635 -2.266 -19.242 1.00 0.00 H new ATOM 0 HG2 GLU A 124 1.154 -0.547 -17.931 1.00 0.00 H new ATOM 0 HG3 GLU A 124 2.338 0.641 -18.437 1.00 0.00 H new ATOM 1885 N ASN A 125 2.452 -4.106 -17.225 1.00 0.00 N ATOM 1886 CA ASN A 125 1.531 -5.166 -16.795 1.00 0.00 C ATOM 1887 C ASN A 125 1.783 -5.588 -15.334 1.00 0.00 C ATOM 1888 O ASN A 125 0.836 -5.930 -14.628 1.00 0.00 O ATOM 1889 CB ASN A 125 1.525 -6.337 -17.800 1.00 0.00 C ATOM 1890 CG ASN A 125 2.460 -7.472 -17.415 1.00 0.00 C ATOM 1891 OD1 ASN A 125 2.087 -8.411 -16.727 1.00 0.00 O ATOM 1892 ND2 ASN A 125 3.708 -7.403 -17.809 1.00 0.00 N ATOM 0 H ASN A 125 3.148 -4.398 -17.911 1.00 0.00 H new ATOM 0 HA ASN A 125 0.517 -4.765 -16.800 1.00 0.00 H new ATOM 0 HB2 ASN A 125 0.510 -6.726 -17.886 1.00 0.00 H new ATOM 0 HB3 ASN A 125 1.807 -5.962 -18.784 1.00 0.00 H new ATOM 0 HD21 ASN A 125 4.368 -8.133 -17.542 1.00 0.00 H new ATOM 0 HD22 ASN A 125 4.019 -6.619 -18.383 1.00 0.00 H new ATOM 1899 N LEU A 126 3.033 -5.489 -14.856 1.00 0.00 N ATOM 1900 CA LEU A 126 3.381 -5.667 -13.446 1.00 0.00 C ATOM 1901 C LEU A 126 2.766 -4.569 -12.584 1.00 0.00 C ATOM 1902 O LEU A 126 2.117 -4.875 -11.591 1.00 0.00 O ATOM 1903 CB LEU A 126 4.916 -5.764 -13.321 1.00 0.00 C ATOM 1904 CG LEU A 126 5.549 -5.948 -11.922 1.00 0.00 C ATOM 1905 CD1 LEU A 126 5.680 -4.653 -11.120 1.00 0.00 C ATOM 1906 CD2 LEU A 126 4.821 -6.988 -11.070 1.00 0.00 C ATOM 0 H LEU A 126 3.837 -5.281 -15.448 1.00 0.00 H new ATOM 0 HA LEU A 126 2.958 -6.597 -13.067 1.00 0.00 H new ATOM 0 HB2 LEU A 126 5.244 -6.598 -13.942 1.00 0.00 H new ATOM 0 HB3 LEU A 126 5.338 -4.858 -13.756 1.00 0.00 H new ATOM 0 HG LEU A 126 6.554 -6.307 -12.145 1.00 0.00 H new ATOM 0 HD11 LEU A 126 6.133 -4.869 -10.152 1.00 0.00 H new ATOM 0 HD12 LEU A 126 6.308 -3.949 -11.666 1.00 0.00 H new ATOM 0 HD13 LEU A 126 4.693 -4.217 -10.970 1.00 0.00 H new ATOM 0 HD21 LEU A 126 5.312 -7.072 -10.100 1.00 0.00 H new ATOM 0 HD22 LEU A 126 3.785 -6.681 -10.927 1.00 0.00 H new ATOM 0 HD23 LEU A 126 4.846 -7.954 -11.574 1.00 0.00 H new ATOM 1918 N ILE A 127 2.925 -3.291 -12.935 1.00 0.00 N ATOM 1919 CA ILE A 127 2.450 -2.222 -12.040 1.00 0.00 C ATOM 1920 C ILE A 127 0.916 -2.136 -12.053 1.00 0.00 C ATOM 1921 O ILE A 127 0.301 -2.032 -10.992 1.00 0.00 O ATOM 1922 CB ILE A 127 3.154 -0.898 -12.373 1.00 0.00 C ATOM 1923 CG1 ILE A 127 4.662 -1.061 -12.068 1.00 0.00 C ATOM 1924 CG2 ILE A 127 2.569 0.285 -11.573 1.00 0.00 C ATOM 1925 CD1 ILE A 127 5.525 0.089 -12.573 1.00 0.00 C ATOM 0 H ILE A 127 3.362 -2.973 -13.800 1.00 0.00 H new ATOM 0 HA ILE A 127 2.719 -2.459 -11.011 1.00 0.00 H new ATOM 0 HB ILE A 127 2.999 -0.671 -13.428 1.00 0.00 H new ATOM 0 HG12 ILE A 127 4.796 -1.156 -10.990 1.00 0.00 H new ATOM 0 HG13 ILE A 127 5.014 -1.990 -12.516 1.00 0.00 H new ATOM 0 HG21 ILE A 127 3.096 1.201 -11.840 1.00 0.00 H new ATOM 0 HG22 ILE A 127 1.510 0.395 -11.807 1.00 0.00 H new ATOM 0 HG23 ILE A 127 2.687 0.096 -10.506 1.00 0.00 H new ATOM 0 HD11 ILE A 127 6.568 -0.101 -12.320 1.00 0.00 H new ATOM 0 HD12 ILE A 127 5.423 0.172 -13.655 1.00 0.00 H new ATOM 0 HD13 ILE A 127 5.202 1.019 -12.106 1.00 0.00 H new ATOM 1937 N ALA A 128 0.285 -2.260 -13.223 1.00 0.00 N ATOM 1938 CA ALA A 128 -1.167 -2.146 -13.360 1.00 0.00 C ATOM 1939 C ALA A 128 -1.952 -3.273 -12.656 1.00 0.00 C ATOM 1940 O ALA A 128 -3.107 -3.058 -12.278 1.00 0.00 O ATOM 1941 CB ALA A 128 -1.499 -2.079 -14.857 1.00 0.00 C ATOM 0 H ALA A 128 0.768 -2.443 -14.103 1.00 0.00 H new ATOM 0 HA ALA A 128 -1.486 -1.235 -12.853 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -2.578 -1.994 -14.987 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -1.010 -1.211 -15.300 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -1.145 -2.985 -15.349 1.00 0.00 H new ATOM 1947 N LYS A 129 -1.334 -4.447 -12.431 1.00 0.00 N ATOM 1948 CA LYS A 129 -1.944 -5.547 -11.657 1.00 0.00 C ATOM 1949 C LYS A 129 -1.742 -5.437 -10.137 1.00 0.00 C ATOM 1950 O LYS A 129 -2.473 -6.101 -9.400 1.00 0.00 O ATOM 1951 CB LYS A 129 -1.537 -6.926 -12.226 1.00 0.00 C ATOM 1952 CG LYS A 129 -0.145 -7.407 -11.801 1.00 0.00 C ATOM 1953 CD LYS A 129 0.213 -8.749 -12.449 1.00 0.00 C ATOM 1954 CE LYS A 129 1.615 -9.185 -11.997 1.00 0.00 C ATOM 1955 NZ LYS A 129 1.979 -10.522 -12.549 1.00 0.00 N ATOM 0 H LYS A 129 -0.399 -4.661 -12.779 1.00 0.00 H new ATOM 0 HA LYS A 129 -3.022 -5.446 -11.786 1.00 0.00 H new ATOM 0 HB2 LYS A 129 -2.274 -7.665 -11.912 1.00 0.00 H new ATOM 0 HB3 LYS A 129 -1.575 -6.881 -13.314 1.00 0.00 H new ATOM 0 HG2 LYS A 129 0.599 -6.659 -12.078 1.00 0.00 H new ATOM 0 HG3 LYS A 129 -0.110 -7.506 -10.716 1.00 0.00 H new ATOM 0 HD2 LYS A 129 -0.521 -9.505 -12.171 1.00 0.00 H new ATOM 0 HD3 LYS A 129 0.182 -8.659 -13.535 1.00 0.00 H new ATOM 0 HE2 LYS A 129 2.348 -8.446 -12.320 1.00 0.00 H new ATOM 0 HE3 LYS A 129 1.653 -9.218 -10.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 3.009 -10.653 -12.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 1.503 -11.266 -12.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 1.679 -10.580 -13.543 1.00 0.00 H new ATOM 1969 N ILE A 130 -0.786 -4.621 -9.656 1.00 0.00 N ATOM 1970 CA ILE A 130 -0.472 -4.511 -8.208 1.00 0.00 C ATOM 1971 C ILE A 130 -0.942 -3.206 -7.544 1.00 0.00 C ATOM 1972 O ILE A 130 -1.136 -3.202 -6.325 1.00 0.00 O ATOM 1973 CB ILE A 130 1.014 -4.811 -7.900 1.00 0.00 C ATOM 1974 CG1 ILE A 130 1.968 -3.681 -8.343 1.00 0.00 C ATOM 1975 CG2 ILE A 130 1.412 -6.165 -8.512 1.00 0.00 C ATOM 1976 CD1 ILE A 130 3.432 -3.899 -7.942 1.00 0.00 C ATOM 0 H ILE A 130 -0.211 -4.022 -10.249 1.00 0.00 H new ATOM 0 HA ILE A 130 -1.071 -5.295 -7.744 1.00 0.00 H new ATOM 0 HB ILE A 130 1.117 -4.867 -6.816 1.00 0.00 H new ATOM 0 HG12 ILE A 130 1.912 -3.578 -9.427 1.00 0.00 H new ATOM 0 HG13 ILE A 130 1.622 -2.740 -7.915 1.00 0.00 H new ATOM 0 HG21 ILE A 130 2.460 -6.370 -8.291 1.00 0.00 H new ATOM 0 HG22 ILE A 130 0.791 -6.953 -8.087 1.00 0.00 H new ATOM 0 HG23 ILE A 130 1.268 -6.132 -9.592 1.00 0.00 H new ATOM 0 HD11 ILE A 130 4.034 -3.060 -8.291 1.00 0.00 H new ATOM 0 HD12 ILE A 130 3.505 -3.971 -6.857 1.00 0.00 H new ATOM 0 HD13 ILE A 130 3.799 -4.821 -8.392 1.00 0.00 H new ATOM 1988 N SER A 131 -1.131 -2.127 -8.314 1.00 0.00 N ATOM 1989 CA SER A 131 -1.584 -0.808 -7.833 1.00 0.00 C ATOM 1990 C SER A 131 -2.702 -0.231 -8.713 1.00 0.00 C ATOM 1991 O SER A 131 -3.887 -0.448 -8.369 1.00 0.00 O ATOM 1992 CB SER A 131 -0.402 0.154 -7.722 1.00 0.00 C ATOM 1993 OG SER A 131 0.402 -0.208 -6.606 1.00 0.00 O ATOM 1994 OXT SER A 131 -2.408 0.449 -9.726 1.00 0.00 O ATOM 0 H SER A 131 -0.969 -2.144 -9.321 1.00 0.00 H new ATOM 0 HA SER A 131 -2.008 -0.942 -6.838 1.00 0.00 H new ATOM 0 HB2 SER A 131 0.191 0.125 -8.636 1.00 0.00 H new ATOM 0 HB3 SER A 131 -0.761 1.177 -7.608 1.00 0.00 H new ATOM 0 HG SER A 131 1.005 0.532 -6.384 1.00 0.00 H new TER 2000 SER A 131