USER MOD reduce.3.24.130724 H: found=0, std=0, add=1037, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1032 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 108 LYS NZ :NH3+ 154:sc= 0 (180deg=0) USER MOD Set 1.2: A 112 GLN : amide:sc= -0.588 X(o=-0.59,f=-0.95) USER MOD Set 2.1: A 20 ASN : amide:sc= -4.12! C(o=-6.8!,f=-13!) USER MOD Set 2.2: A 80 ASN : amide:sc= -2.66 K(o=-6.8,f=-16!) USER MOD Set 3.1: A 35 ASN : amide:sc= -1.54 K(o=-4.1,f=-19!) USER MOD Set 3.2: A 57 HIS : no HD1:sc= -2.56! C(o=-4.1!,f=-9.1!) USER MOD Set 4.1: A 33 TYR OH : rot -90:sc= 0.139 USER MOD Set 4.2: A 44 THR OG1 : rot 180:sc= 0 USER MOD Set 4.3: A 61 SER OG : rot -16:sc= 1.58 USER MOD Set 5.1: A 10 MET CE :methyl -173:sc= -0.857 (180deg=0) USER MOD Set 5.2: A 69 GLN : amide:sc= -3.7! C(o=-4.6!,f=-14!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -56:sc= 0.151 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 MET CE :methyl -137:sc= -2.93! (180deg=-6.08!) USER MOD Single : A 15 THR OG1 : rot -25:sc= 0.578 USER MOD Single : A 19 HIS : no HE2:sc= -8! C(o=-8!,f=-11!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.881 K(o=-0.88,f=-0.048) USER MOD Single : A 32 THR OG1 : rot -52:sc= 1.18 USER MOD Single : A 36 MET CE :methyl 148:sc= -0.297 (180deg=-1.86!) USER MOD Single : A 37 THR OG1 : rot -160:sc= 0.102 USER MOD Single : A 40 SER OG : rot 163:sc= 0.205 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 140:sc= -2.2 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.641 X(o=-0.64,f=-0.15) USER MOD Single : A 60 LYS NZ :NH3+ -174:sc= 0.0302 (180deg=0.0266) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.598 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.75 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.251 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 GLN : amide:sc= -0.605 K(o=-0.6,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 HIS : no HE2:sc= 0.101 K(o=0.1,f=-0.44) USER MOD Single : A 83 CYS SG : rot -117:sc= -0.637 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 SER OG : rot -54:sc= 0.43 USER MOD Single : A 96 SER OG : rot 125:sc= 1.44 USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ -122:sc= -0.144 (180deg=-0.855) USER MOD Single : A 115 TYR OH : rot -62:sc= 0.0116 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 126 GLN : amide:sc= -2.65! C(o=-2.6!,f=-4.8!) USER MOD Single : A 128 LYS NZ :NH3+ -121:sc= -0.0194 (180deg=-1.14) USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.636 -29.772 -0.789 1.00 0.00 N ATOM 2 CA GLY A 1 1.733 -29.812 -1.738 1.00 0.00 C ATOM 3 C GLY A 1 3.059 -30.139 -1.080 1.00 0.00 C ATOM 4 O GLY A 1 3.501 -31.287 -1.098 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.247 -29.545 -1.289 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.543 -30.699 -0.326 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.825 -29.044 -0.071 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.519 -30.556 -2.505 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.809 -28.848 -2.241 1.00 0.00 H new ATOM 8 N SER A 2 3.694 -29.127 -0.499 1.00 0.00 N ATOM 9 CA SER A 2 4.981 -29.311 0.163 1.00 0.00 C ATOM 10 C SER A 2 4.819 -29.284 1.680 1.00 0.00 C ATOM 11 O SER A 2 5.181 -30.236 2.371 1.00 0.00 O ATOM 12 CB SER A 2 5.965 -28.225 -0.276 1.00 0.00 C ATOM 13 OG SER A 2 7.269 -28.493 0.209 1.00 0.00 O ATOM 0 H SER A 2 3.339 -28.171 -0.473 1.00 0.00 H new ATOM 0 HA SER A 2 5.375 -30.285 -0.126 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.983 -28.165 -1.364 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.629 -27.255 0.091 1.00 0.00 H new ATOM 0 HG SER A 2 7.880 -27.786 -0.086 1.00 0.00 H new ATOM 19 N SER A 3 4.274 -28.184 2.191 1.00 0.00 N ATOM 20 CA SER A 3 4.068 -28.030 3.626 1.00 0.00 C ATOM 21 C SER A 3 2.973 -27.006 3.911 1.00 0.00 C ATOM 22 O SER A 3 2.703 -26.126 3.094 1.00 0.00 O ATOM 23 CB SER A 3 5.370 -27.604 4.307 1.00 0.00 C ATOM 24 OG SER A 3 5.182 -27.424 5.700 1.00 0.00 O ATOM 0 H SER A 3 3.968 -27.387 1.633 1.00 0.00 H new ATOM 0 HA SER A 3 3.754 -28.993 4.028 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.138 -28.358 4.135 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.730 -26.676 3.863 1.00 0.00 H new ATOM 0 HG SER A 3 6.029 -27.154 6.112 1.00 0.00 H new ATOM 30 N GLY A 4 2.346 -27.127 5.077 1.00 0.00 N ATOM 31 CA GLY A 4 1.288 -26.207 5.449 1.00 0.00 C ATOM 32 C GLY A 4 1.594 -25.461 6.733 1.00 0.00 C ATOM 33 O GLY A 4 2.594 -25.736 7.395 1.00 0.00 O ATOM 0 H GLY A 4 2.552 -27.846 5.771 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.135 -25.489 4.643 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.355 -26.759 5.566 1.00 0.00 H new ATOM 37 N SER A 5 0.730 -24.514 7.085 1.00 0.00 N ATOM 38 CA SER A 5 0.916 -23.722 8.296 1.00 0.00 C ATOM 39 C SER A 5 2.301 -23.082 8.319 1.00 0.00 C ATOM 40 O SER A 5 2.950 -23.019 9.363 1.00 0.00 O ATOM 41 CB SER A 5 0.725 -24.596 9.537 1.00 0.00 C ATOM 42 OG SER A 5 0.549 -23.803 10.697 1.00 0.00 O ATOM 0 H SER A 5 -0.105 -24.276 6.550 1.00 0.00 H new ATOM 0 HA SER A 5 0.168 -22.929 8.300 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.142 -25.243 9.400 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.591 -25.246 9.665 1.00 0.00 H new ATOM 0 HG SER A 5 1.308 -23.191 10.793 1.00 0.00 H new ATOM 48 N SER A 6 2.746 -22.607 7.160 1.00 0.00 N ATOM 49 CA SER A 6 4.055 -21.975 7.045 1.00 0.00 C ATOM 50 C SER A 6 3.914 -20.486 6.743 1.00 0.00 C ATOM 51 O SER A 6 4.395 -19.640 7.496 1.00 0.00 O ATOM 52 CB SER A 6 4.878 -22.654 5.948 1.00 0.00 C ATOM 53 OG SER A 6 6.119 -21.995 5.761 1.00 0.00 O ATOM 0 H SER A 6 2.219 -22.648 6.287 1.00 0.00 H new ATOM 0 HA SER A 6 4.571 -22.088 7.999 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.052 -23.697 6.213 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.317 -22.652 5.014 1.00 0.00 H new ATOM 0 HG SER A 6 6.627 -22.448 5.056 1.00 0.00 H new ATOM 59 N GLY A 7 3.251 -20.173 5.634 1.00 0.00 N ATOM 60 CA GLY A 7 3.058 -18.787 5.250 1.00 0.00 C ATOM 61 C GLY A 7 2.330 -17.987 6.313 1.00 0.00 C ATOM 62 O GLY A 7 2.732 -16.871 6.644 1.00 0.00 O ATOM 0 H GLY A 7 2.844 -20.855 4.994 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.028 -18.329 5.055 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.493 -18.746 4.319 1.00 0.00 H new ATOM 66 N LEU A 8 1.256 -18.557 6.848 1.00 0.00 N ATOM 67 CA LEU A 8 0.469 -17.889 7.879 1.00 0.00 C ATOM 68 C LEU A 8 1.367 -17.365 8.995 1.00 0.00 C ATOM 69 O LEU A 8 1.233 -16.221 9.429 1.00 0.00 O ATOM 70 CB LEU A 8 -0.573 -18.850 8.455 1.00 0.00 C ATOM 71 CG LEU A 8 -1.932 -18.864 7.754 1.00 0.00 C ATOM 72 CD1 LEU A 8 -2.638 -17.529 7.930 1.00 0.00 C ATOM 73 CD2 LEU A 8 -1.767 -19.191 6.277 1.00 0.00 C ATOM 0 H LEU A 8 0.910 -19.480 6.585 1.00 0.00 H new ATOM 0 HA LEU A 8 -0.041 -17.042 7.421 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.162 -19.859 8.428 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.730 -18.598 9.504 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.547 -19.639 8.211 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.603 -17.558 7.424 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.790 -17.335 8.992 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.027 -16.735 7.500 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.744 -19.197 5.794 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.134 -18.439 5.806 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -1.304 -20.172 6.171 1.00 0.00 H new ATOM 85 N LYS A 9 2.283 -18.210 9.456 1.00 0.00 N ATOM 86 CA LYS A 9 3.207 -17.832 10.519 1.00 0.00 C ATOM 87 C LYS A 9 3.836 -16.472 10.236 1.00 0.00 C ATOM 88 O LYS A 9 3.875 -15.603 11.106 1.00 0.00 O ATOM 89 CB LYS A 9 4.301 -18.891 10.673 1.00 0.00 C ATOM 90 CG LYS A 9 5.212 -18.656 11.864 1.00 0.00 C ATOM 91 CD LYS A 9 6.333 -17.687 11.526 1.00 0.00 C ATOM 92 CE LYS A 9 7.481 -17.795 12.518 1.00 0.00 C ATOM 93 NZ LYS A 9 8.444 -16.668 12.376 1.00 0.00 N ATOM 0 H LYS A 9 2.405 -19.162 9.110 1.00 0.00 H new ATOM 0 HA LYS A 9 2.643 -17.764 11.449 1.00 0.00 H new ATOM 0 HB2 LYS A 9 3.835 -19.871 10.771 1.00 0.00 H new ATOM 0 HB3 LYS A 9 4.903 -18.914 9.765 1.00 0.00 H new ATOM 0 HG2 LYS A 9 4.629 -18.263 12.697 1.00 0.00 H new ATOM 0 HG3 LYS A 9 5.637 -19.605 12.191 1.00 0.00 H new ATOM 0 HD2 LYS A 9 6.700 -17.890 10.520 1.00 0.00 H new ATOM 0 HD3 LYS A 9 5.946 -16.668 11.525 1.00 0.00 H new ATOM 0 HE2 LYS A 9 7.084 -17.808 13.533 1.00 0.00 H new ATOM 0 HE3 LYS A 9 8.003 -18.740 12.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 9.211 -16.778 13.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 8.842 -16.671 11.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 7.952 -15.767 12.544 1.00 0.00 H new ATOM 107 N MET A 10 4.327 -16.296 9.013 1.00 0.00 N ATOM 108 CA MET A 10 4.953 -15.040 8.615 1.00 0.00 C ATOM 109 C MET A 10 4.021 -13.861 8.879 1.00 0.00 C ATOM 110 O MET A 10 4.432 -12.848 9.446 1.00 0.00 O ATOM 111 CB MET A 10 5.334 -15.082 7.135 1.00 0.00 C ATOM 112 CG MET A 10 6.386 -16.130 6.807 1.00 0.00 C ATOM 113 SD MET A 10 7.403 -15.674 5.390 1.00 0.00 S ATOM 114 CE MET A 10 7.293 -17.162 4.401 1.00 0.00 C ATOM 0 H MET A 10 4.303 -17.006 8.281 1.00 0.00 H new ATOM 0 HA MET A 10 5.856 -14.908 9.211 1.00 0.00 H new ATOM 0 HB2 MET A 10 4.440 -15.279 6.544 1.00 0.00 H new ATOM 0 HB3 MET A 10 5.704 -14.101 6.836 1.00 0.00 H new ATOM 0 HG2 MET A 10 7.027 -16.280 7.676 1.00 0.00 H new ATOM 0 HG3 MET A 10 5.894 -17.082 6.605 1.00 0.00 H new ATOM 0 HE1 MET A 10 7.970 -17.084 3.550 1.00 0.00 H new ATOM 0 HE2 MET A 10 7.571 -18.024 5.008 1.00 0.00 H new ATOM 0 HE3 MET A 10 6.271 -17.285 4.042 1.00 0.00 H new ATOM 124 N LEU A 11 2.767 -14.000 8.465 1.00 0.00 N ATOM 125 CA LEU A 11 1.777 -12.946 8.656 1.00 0.00 C ATOM 126 C LEU A 11 1.972 -12.254 10.001 1.00 0.00 C ATOM 127 O LEU A 11 2.183 -11.042 10.063 1.00 0.00 O ATOM 128 CB LEU A 11 0.364 -13.524 8.567 1.00 0.00 C ATOM 129 CG LEU A 11 -0.717 -12.578 8.041 1.00 0.00 C ATOM 130 CD1 LEU A 11 -0.788 -11.322 8.894 1.00 0.00 C ATOM 131 CD2 LEU A 11 -0.451 -12.222 6.585 1.00 0.00 C ATOM 0 H LEU A 11 2.411 -14.832 7.995 1.00 0.00 H new ATOM 0 HA LEU A 11 1.911 -12.208 7.865 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.393 -14.404 7.924 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.069 -13.864 9.560 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.679 -13.087 8.100 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.562 -10.661 8.505 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.026 -11.594 9.922 1.00 0.00 H new ATOM 0 HD13 LEU A 11 0.174 -10.809 8.867 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.230 -11.548 6.227 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.519 -11.732 6.502 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.452 -13.130 5.982 1.00 0.00 H new ATOM 143 N ARG A 12 1.901 -13.031 11.077 1.00 0.00 N ATOM 144 CA ARG A 12 2.071 -12.493 12.421 1.00 0.00 C ATOM 145 C ARG A 12 3.246 -11.521 12.473 1.00 0.00 C ATOM 146 O ARG A 12 3.148 -10.445 13.063 1.00 0.00 O ATOM 147 CB ARG A 12 2.290 -13.628 13.424 1.00 0.00 C ATOM 148 CG ARG A 12 2.404 -13.155 14.864 1.00 0.00 C ATOM 149 CD ARG A 12 3.295 -14.075 15.683 1.00 0.00 C ATOM 150 NE ARG A 12 3.806 -13.417 16.882 1.00 0.00 N ATOM 151 CZ ARG A 12 4.849 -13.859 17.576 1.00 0.00 C ATOM 152 NH1 ARG A 12 5.489 -14.954 17.190 1.00 0.00 N ATOM 153 NH2 ARG A 12 5.255 -13.205 18.657 1.00 0.00 N ATOM 0 H ARG A 12 1.727 -14.035 11.044 1.00 0.00 H new ATOM 0 HA ARG A 12 1.162 -11.953 12.686 1.00 0.00 H new ATOM 0 HB2 ARG A 12 1.463 -14.334 13.347 1.00 0.00 H new ATOM 0 HB3 ARG A 12 3.197 -14.169 13.155 1.00 0.00 H new ATOM 0 HG2 ARG A 12 2.807 -12.143 14.885 1.00 0.00 H new ATOM 0 HG3 ARG A 12 1.412 -13.112 15.314 1.00 0.00 H new ATOM 0 HD2 ARG A 12 2.733 -14.964 15.969 1.00 0.00 H new ATOM 0 HD3 ARG A 12 4.131 -14.411 15.069 1.00 0.00 H new ATOM 0 HE ARG A 12 3.336 -12.571 17.205 1.00 0.00 H new ATOM 0 HH11 ARG A 12 5.181 -15.459 16.359 1.00 0.00 H new ATOM 0 HH12 ARG A 12 6.290 -15.292 17.724 1.00 0.00 H new ATOM 0 HH21 ARG A 12 4.766 -12.361 18.956 1.00 0.00 H new ATOM 0 HH22 ARG A 12 6.056 -13.546 19.189 1.00 0.00 H new ATOM 167 N ASP A 13 4.355 -11.908 11.854 1.00 0.00 N ATOM 168 CA ASP A 13 5.549 -11.070 11.829 1.00 0.00 C ATOM 169 C ASP A 13 5.226 -9.681 11.289 1.00 0.00 C ATOM 170 O ASP A 13 5.631 -8.671 11.865 1.00 0.00 O ATOM 171 CB ASP A 13 6.638 -11.723 10.975 1.00 0.00 C ATOM 172 CG ASP A 13 7.963 -10.992 11.071 1.00 0.00 C ATOM 173 OD1 ASP A 13 7.998 -9.784 10.758 1.00 0.00 O ATOM 174 OD2 ASP A 13 8.965 -11.629 11.458 1.00 0.00 O ATOM 0 H ASP A 13 4.453 -12.796 11.363 1.00 0.00 H new ATOM 0 HA ASP A 13 5.913 -10.967 12.851 1.00 0.00 H new ATOM 0 HB2 ASP A 13 6.773 -12.757 11.291 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.314 -11.748 9.935 1.00 0.00 H new ATOM 179 N MET A 14 4.497 -9.637 10.179 1.00 0.00 N ATOM 180 CA MET A 14 4.121 -8.371 9.561 1.00 0.00 C ATOM 181 C MET A 14 3.288 -7.525 10.519 1.00 0.00 C ATOM 182 O MET A 14 3.710 -6.448 10.941 1.00 0.00 O ATOM 183 CB MET A 14 3.337 -8.621 8.271 1.00 0.00 C ATOM 184 CG MET A 14 4.212 -9.043 7.101 1.00 0.00 C ATOM 185 SD MET A 14 4.414 -10.832 6.995 1.00 0.00 S ATOM 186 CE MET A 14 3.341 -11.212 5.612 1.00 0.00 C ATOM 0 H MET A 14 4.155 -10.464 9.689 1.00 0.00 H new ATOM 0 HA MET A 14 5.035 -7.826 9.323 1.00 0.00 H new ATOM 0 HB2 MET A 14 2.590 -9.394 8.453 1.00 0.00 H new ATOM 0 HB3 MET A 14 2.797 -7.713 8.002 1.00 0.00 H new ATOM 0 HG2 MET A 14 3.774 -8.675 6.173 1.00 0.00 H new ATOM 0 HG3 MET A 14 5.192 -8.576 7.198 1.00 0.00 H new ATOM 0 HE1 MET A 14 2.758 -12.104 5.839 1.00 0.00 H new ATOM 0 HE2 MET A 14 2.667 -10.374 5.433 1.00 0.00 H new ATOM 0 HE3 MET A 14 3.944 -11.389 4.722 1.00 0.00 H new ATOM 196 N THR A 15 2.102 -8.019 10.860 1.00 0.00 N ATOM 197 CA THR A 15 1.210 -7.308 11.767 1.00 0.00 C ATOM 198 C THR A 15 1.960 -6.808 12.996 1.00 0.00 C ATOM 199 O THR A 15 1.685 -5.722 13.504 1.00 0.00 O ATOM 200 CB THR A 15 0.041 -8.203 12.222 1.00 0.00 C ATOM 201 OG1 THR A 15 0.543 -9.339 12.936 1.00 0.00 O ATOM 202 CG2 THR A 15 -0.779 -8.669 11.029 1.00 0.00 C ATOM 0 H THR A 15 1.737 -8.909 10.521 1.00 0.00 H new ATOM 0 HA THR A 15 0.812 -6.456 11.216 1.00 0.00 H new ATOM 0 HB THR A 15 -0.603 -7.617 12.879 1.00 0.00 H new ATOM 0 HG1 THR A 15 1.465 -9.519 12.657 1.00 0.00 H new ATOM 0 HG21 THR A 15 -1.598 -9.299 11.375 1.00 0.00 H new ATOM 0 HG22 THR A 15 -1.183 -7.803 10.505 1.00 0.00 H new ATOM 0 HG23 THR A 15 -0.144 -9.239 10.351 1.00 0.00 H new ATOM 210 N GLY A 16 2.910 -7.608 13.471 1.00 0.00 N ATOM 211 CA GLY A 16 3.686 -7.229 14.637 1.00 0.00 C ATOM 212 C GLY A 16 4.307 -5.853 14.497 1.00 0.00 C ATOM 213 O GLY A 16 4.193 -5.018 15.396 1.00 0.00 O ATOM 0 H GLY A 16 3.156 -8.512 13.069 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.045 -7.247 15.518 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.473 -7.965 14.801 1.00 0.00 H new ATOM 217 N LEU A 17 4.967 -5.616 13.369 1.00 0.00 N ATOM 218 CA LEU A 17 5.611 -4.331 13.116 1.00 0.00 C ATOM 219 C LEU A 17 4.781 -3.184 13.683 1.00 0.00 C ATOM 220 O LEU A 17 3.557 -3.266 13.793 1.00 0.00 O ATOM 221 CB LEU A 17 5.819 -4.131 11.613 1.00 0.00 C ATOM 222 CG LEU A 17 6.691 -5.172 10.911 1.00 0.00 C ATOM 223 CD1 LEU A 17 6.520 -5.082 9.403 1.00 0.00 C ATOM 224 CD2 LEU A 17 8.152 -4.991 11.296 1.00 0.00 C ATOM 0 H LEU A 17 5.071 -6.296 12.615 1.00 0.00 H new ATOM 0 HA LEU A 17 6.580 -4.334 13.615 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.842 -4.120 11.130 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.264 -3.148 11.456 1.00 0.00 H new ATOM 0 HG LEU A 17 6.371 -6.163 11.234 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.148 -5.830 8.920 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.477 -5.262 9.144 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.812 -4.089 9.062 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.758 -5.741 10.787 1.00 0.00 H new ATOM 0 HD22 LEU A 17 8.485 -3.995 11.003 1.00 0.00 H new ATOM 0 HD23 LEU A 17 8.261 -5.107 12.374 1.00 0.00 H new ATOM 236 N PRO A 18 5.460 -2.088 14.051 1.00 0.00 N ATOM 237 CA PRO A 18 4.805 -0.902 14.611 1.00 0.00 C ATOM 238 C PRO A 18 3.971 -0.157 13.575 1.00 0.00 C ATOM 239 O PRO A 18 2.961 0.466 13.907 1.00 0.00 O ATOM 240 CB PRO A 18 5.978 -0.036 15.077 1.00 0.00 C ATOM 241 CG PRO A 18 7.122 -0.456 14.222 1.00 0.00 C ATOM 242 CD PRO A 18 6.919 -1.921 13.949 1.00 0.00 C ATOM 0 HA PRO A 18 4.106 -1.160 15.406 1.00 0.00 H new ATOM 0 HB2 PRO A 18 5.760 1.025 14.954 1.00 0.00 H new ATOM 0 HB3 PRO A 18 6.193 -0.197 16.133 1.00 0.00 H new ATOM 0 HG2 PRO A 18 7.145 0.114 13.293 1.00 0.00 H new ATOM 0 HG3 PRO A 18 8.072 -0.281 14.727 1.00 0.00 H new ATOM 0 HD2 PRO A 18 7.287 -2.201 12.962 1.00 0.00 H new ATOM 0 HD3 PRO A 18 7.446 -2.542 14.674 1.00 0.00 H new ATOM 250 N HIS A 19 4.398 -0.224 12.318 1.00 0.00 N ATOM 251 CA HIS A 19 3.689 0.443 11.232 1.00 0.00 C ATOM 252 C HIS A 19 2.532 -0.415 10.730 1.00 0.00 C ATOM 253 O HIS A 19 1.804 -0.020 9.821 1.00 0.00 O ATOM 254 CB HIS A 19 4.649 0.751 10.082 1.00 0.00 C ATOM 255 CG HIS A 19 5.612 -0.358 9.793 1.00 0.00 C ATOM 256 ND1 HIS A 19 6.834 -0.477 10.421 1.00 0.00 N ATOM 257 CD2 HIS A 19 5.528 -1.403 8.937 1.00 0.00 C ATOM 258 CE1 HIS A 19 7.460 -1.547 9.963 1.00 0.00 C ATOM 259 NE2 HIS A 19 6.688 -2.127 9.062 1.00 0.00 N ATOM 0 H HIS A 19 5.232 -0.734 12.026 1.00 0.00 H new ATOM 0 HA HIS A 19 3.283 1.379 11.617 1.00 0.00 H new ATOM 0 HB2 HIS A 19 4.070 0.962 9.183 1.00 0.00 H new ATOM 0 HB3 HIS A 19 5.209 1.655 10.320 1.00 0.00 H new ATOM 0 HD1 HIS A 19 7.198 0.161 11.129 1.00 0.00 H new ATOM 0 HD2 HIS A 19 4.702 -1.626 8.278 1.00 0.00 H new ATOM 0 HE1 HIS A 19 8.437 -1.889 10.273 1.00 0.00 H new ATOM 267 N ASN A 20 2.371 -1.591 11.328 1.00 0.00 N ATOM 268 CA ASN A 20 1.304 -2.506 10.940 1.00 0.00 C ATOM 269 C ASN A 20 0.482 -2.929 12.153 1.00 0.00 C ATOM 270 O ASN A 20 0.019 -4.067 12.237 1.00 0.00 O ATOM 271 CB ASN A 20 1.887 -3.740 10.250 1.00 0.00 C ATOM 272 CG ASN A 20 2.438 -3.426 8.872 1.00 0.00 C ATOM 273 OD1 ASN A 20 1.950 -2.527 8.186 1.00 0.00 O ATOM 274 ND2 ASN A 20 3.459 -4.168 8.459 1.00 0.00 N ATOM 0 H ASN A 20 2.966 -1.933 12.083 1.00 0.00 H new ATOM 0 HA ASN A 20 0.648 -1.984 10.243 1.00 0.00 H new ATOM 0 HB2 ASN A 20 2.681 -4.158 10.869 1.00 0.00 H new ATOM 0 HB3 ASN A 20 1.114 -4.504 10.164 1.00 0.00 H new ATOM 0 HD21 ASN A 20 3.870 -4.003 7.540 1.00 0.00 H new ATOM 0 HD22 ASN A 20 3.832 -4.903 9.061 1.00 0.00 H new ATOM 281 N ARG A 21 0.304 -2.005 13.092 1.00 0.00 N ATOM 282 CA ARG A 21 -0.462 -2.282 14.301 1.00 0.00 C ATOM 283 C ARG A 21 -1.922 -1.875 14.126 1.00 0.00 C ATOM 284 O ARG A 21 -2.819 -2.465 14.727 1.00 0.00 O ATOM 285 CB ARG A 21 0.145 -1.542 15.495 1.00 0.00 C ATOM 286 CG ARG A 21 1.546 -2.010 15.853 1.00 0.00 C ATOM 287 CD ARG A 21 1.528 -3.398 16.475 1.00 0.00 C ATOM 288 NE ARG A 21 1.125 -3.364 17.878 1.00 0.00 N ATOM 289 CZ ARG A 21 0.684 -4.426 18.542 1.00 0.00 C ATOM 290 NH1 ARG A 21 0.589 -5.600 17.934 1.00 0.00 N ATOM 291 NH2 ARG A 21 0.336 -4.316 19.818 1.00 0.00 N ATOM 0 H ARG A 21 0.680 -1.058 13.038 1.00 0.00 H new ATOM 0 HA ARG A 21 -0.422 -3.355 14.488 1.00 0.00 H new ATOM 0 HB2 ARG A 21 0.173 -0.475 15.274 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -0.505 -1.672 16.361 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.168 -2.019 14.958 1.00 0.00 H new ATOM 0 HG3 ARG A 21 2.000 -1.304 16.549 1.00 0.00 H new ATOM 0 HD2 ARG A 21 0.843 -4.037 15.917 1.00 0.00 H new ATOM 0 HD3 ARG A 21 2.519 -3.845 16.393 1.00 0.00 H new ATOM 0 HE ARG A 21 1.186 -2.476 18.375 1.00 0.00 H new ATOM 0 HH11 ARG A 21 0.855 -5.689 16.953 1.00 0.00 H new ATOM 0 HH12 ARG A 21 0.250 -6.414 18.447 1.00 0.00 H new ATOM 0 HH21 ARG A 21 0.407 -3.415 20.290 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -0.003 -5.133 20.327 1.00 0.00 H new ATOM 305 N LYS A 22 -2.153 -0.861 13.298 1.00 0.00 N ATOM 306 CA LYS A 22 -3.503 -0.374 13.042 1.00 0.00 C ATOM 307 C LYS A 22 -3.781 -0.305 11.544 1.00 0.00 C ATOM 308 O LYS A 22 -2.881 -0.496 10.725 1.00 0.00 O ATOM 309 CB LYS A 22 -3.697 1.007 13.672 1.00 0.00 C ATOM 310 CG LYS A 22 -3.317 1.064 15.141 1.00 0.00 C ATOM 311 CD LYS A 22 -2.846 2.452 15.542 1.00 0.00 C ATOM 312 CE LYS A 22 -2.714 2.582 17.052 1.00 0.00 C ATOM 313 NZ LYS A 22 -1.376 2.138 17.531 1.00 0.00 N ATOM 0 H LYS A 22 -1.422 -0.361 12.793 1.00 0.00 H new ATOM 0 HA LYS A 22 -4.207 -1.074 13.492 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -3.100 1.735 13.122 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -4.740 1.303 13.563 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -4.175 0.780 15.751 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.528 0.339 15.342 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -1.885 2.661 15.072 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.550 3.197 15.172 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.878 3.619 17.343 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -3.489 1.988 17.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -1.325 2.242 18.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -1.229 1.141 17.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.638 2.721 17.088 1.00 0.00 H new ATOM 327 N CYS A 23 -5.032 -0.029 11.191 1.00 0.00 N ATOM 328 CA CYS A 23 -5.429 0.067 9.792 1.00 0.00 C ATOM 329 C CYS A 23 -4.527 1.038 9.036 1.00 0.00 C ATOM 330 O CYS A 23 -3.672 1.697 9.628 1.00 0.00 O ATOM 331 CB CYS A 23 -6.887 0.519 9.683 1.00 0.00 C ATOM 332 SG CYS A 23 -7.711 0.008 8.141 1.00 0.00 S ATOM 0 H CYS A 23 -5.789 0.132 11.856 1.00 0.00 H new ATOM 0 HA CYS A 23 -5.327 -0.921 9.343 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -7.444 0.119 10.530 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -6.926 1.606 9.760 1.00 0.00 H new ATOM 337 N PHE A 24 -4.724 1.122 7.724 1.00 0.00 N ATOM 338 CA PHE A 24 -3.929 2.011 6.886 1.00 0.00 C ATOM 339 C PHE A 24 -4.637 3.348 6.687 1.00 0.00 C ATOM 340 O PHE A 24 -3.997 4.370 6.434 1.00 0.00 O ATOM 341 CB PHE A 24 -3.654 1.359 5.530 1.00 0.00 C ATOM 342 CG PHE A 24 -2.692 2.134 4.676 1.00 0.00 C ATOM 343 CD1 PHE A 24 -1.375 2.304 5.073 1.00 0.00 C ATOM 344 CD2 PHE A 24 -3.103 2.691 3.476 1.00 0.00 C ATOM 345 CE1 PHE A 24 -0.488 3.017 4.289 1.00 0.00 C ATOM 346 CE2 PHE A 24 -2.220 3.405 2.688 1.00 0.00 C ATOM 347 CZ PHE A 24 -0.910 3.567 3.095 1.00 0.00 C ATOM 0 H PHE A 24 -5.428 0.584 7.218 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.981 2.194 7.391 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.258 0.357 5.692 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -4.595 1.247 4.992 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -1.038 1.875 6.005 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -4.126 2.566 3.152 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.535 3.144 4.610 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -2.554 3.836 1.755 1.00 0.00 H new ATOM 0 HZ PHE A 24 -0.217 4.123 2.480 1.00 0.00 H new ATOM 357 N ASP A 25 -5.960 3.333 6.801 1.00 0.00 N ATOM 358 CA ASP A 25 -6.756 4.543 6.634 1.00 0.00 C ATOM 359 C ASP A 25 -7.320 5.011 7.972 1.00 0.00 C ATOM 360 O ASP A 25 -6.922 6.052 8.496 1.00 0.00 O ATOM 361 CB ASP A 25 -7.896 4.297 5.644 1.00 0.00 C ATOM 362 CG ASP A 25 -7.452 3.492 4.439 1.00 0.00 C ATOM 363 OD1 ASP A 25 -6.295 3.668 4.001 1.00 0.00 O ATOM 364 OD2 ASP A 25 -8.260 2.685 3.934 1.00 0.00 O ATOM 0 H ASP A 25 -6.504 2.496 7.009 1.00 0.00 H new ATOM 0 HA ASP A 25 -6.106 5.324 6.240 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -8.706 3.772 6.150 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -8.297 5.254 5.310 1.00 0.00 H new ATOM 369 N CYS A 26 -8.250 4.236 8.520 1.00 0.00 N ATOM 370 CA CYS A 26 -8.871 4.572 9.796 1.00 0.00 C ATOM 371 C CYS A 26 -7.925 4.274 10.956 1.00 0.00 C ATOM 372 O CYS A 26 -8.300 4.393 12.123 1.00 0.00 O ATOM 373 CB CYS A 26 -10.174 3.791 9.974 1.00 0.00 C ATOM 374 SG CYS A 26 -9.939 2.012 10.288 1.00 0.00 S ATOM 0 H CYS A 26 -8.590 3.371 8.100 1.00 0.00 H new ATOM 0 HA CYS A 26 -9.092 5.639 9.794 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -10.734 4.224 10.803 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -10.783 3.913 9.079 1.00 0.00 H new ATOM 379 N ASP A 27 -6.698 3.886 10.627 1.00 0.00 N ATOM 380 CA ASP A 27 -5.697 3.573 11.640 1.00 0.00 C ATOM 381 C ASP A 27 -6.343 2.918 12.857 1.00 0.00 C ATOM 382 O ASP A 27 -6.102 3.325 13.993 1.00 0.00 O ATOM 383 CB ASP A 27 -4.953 4.841 12.063 1.00 0.00 C ATOM 384 CG ASP A 27 -4.609 5.730 10.884 1.00 0.00 C ATOM 385 OD1 ASP A 27 -3.850 5.278 10.002 1.00 0.00 O ATOM 386 OD2 ASP A 27 -5.098 6.879 10.844 1.00 0.00 O ATOM 0 H ASP A 27 -6.372 3.781 9.666 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.985 2.871 11.206 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.566 5.400 12.769 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.037 4.564 12.585 1.00 0.00 H new ATOM 391 N GLN A 28 -7.164 1.902 12.610 1.00 0.00 N ATOM 392 CA GLN A 28 -7.846 1.192 13.686 1.00 0.00 C ATOM 393 C GLN A 28 -7.026 -0.007 14.152 1.00 0.00 C ATOM 394 O GLN A 28 -6.746 -0.919 13.374 1.00 0.00 O ATOM 395 CB GLN A 28 -9.229 0.731 13.225 1.00 0.00 C ATOM 396 CG GLN A 28 -10.031 0.033 14.311 1.00 0.00 C ATOM 397 CD GLN A 28 -10.408 0.963 15.447 1.00 0.00 C ATOM 398 OE1 GLN A 28 -11.451 1.618 15.409 1.00 0.00 O ATOM 399 NE2 GLN A 28 -9.561 1.027 16.467 1.00 0.00 N ATOM 0 H GLN A 28 -7.373 1.552 11.675 1.00 0.00 H new ATOM 0 HA GLN A 28 -7.961 1.879 14.525 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -9.791 1.595 12.869 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -9.114 0.054 12.378 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -10.937 -0.387 13.875 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -9.451 -0.801 14.706 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -8.708 0.467 16.458 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -9.763 1.636 17.260 1.00 0.00 H new ATOM 408 N ARG A 29 -6.645 0.002 15.425 1.00 0.00 N ATOM 409 CA ARG A 29 -5.856 -1.084 15.994 1.00 0.00 C ATOM 410 C ARG A 29 -6.575 -2.420 15.834 1.00 0.00 C ATOM 411 O ARG A 29 -7.769 -2.531 16.111 1.00 0.00 O ATOM 412 CB ARG A 29 -5.575 -0.817 17.474 1.00 0.00 C ATOM 413 CG ARG A 29 -6.819 -0.855 18.346 1.00 0.00 C ATOM 414 CD ARG A 29 -7.095 -2.259 18.862 1.00 0.00 C ATOM 415 NE ARG A 29 -6.320 -2.563 20.063 1.00 0.00 N ATOM 416 CZ ARG A 29 -5.153 -3.196 20.043 1.00 0.00 C ATOM 417 NH1 ARG A 29 -4.627 -3.590 18.892 1.00 0.00 N ATOM 418 NH2 ARG A 29 -4.508 -3.437 21.178 1.00 0.00 N ATOM 0 H ARG A 29 -6.870 0.749 16.082 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.910 -1.134 15.455 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.863 -1.557 17.839 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.100 0.159 17.575 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -6.695 -0.174 19.188 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -7.677 -0.501 17.774 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -8.158 -2.363 19.081 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.857 -2.984 18.084 1.00 0.00 H new ATOM 0 HE ARG A 29 -6.696 -2.273 20.966 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.119 -3.407 18.017 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -3.730 -4.076 18.881 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.909 -3.136 22.066 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -3.612 -3.923 21.162 1.00 0.00 H new ATOM 432 N GLY A 30 -5.840 -3.432 15.385 1.00 0.00 N ATOM 433 CA GLY A 30 -6.425 -4.747 15.196 1.00 0.00 C ATOM 434 C GLY A 30 -6.899 -4.971 13.774 1.00 0.00 C ATOM 435 O GLY A 30 -8.060 -5.300 13.529 1.00 0.00 O ATOM 0 H GLY A 30 -4.850 -3.365 15.149 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.690 -5.509 15.455 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.265 -4.869 15.879 1.00 0.00 H new ATOM 439 N PRO A 31 -5.988 -4.790 12.806 1.00 0.00 N ATOM 440 CA PRO A 31 -6.298 -4.968 11.384 1.00 0.00 C ATOM 441 C PRO A 31 -6.536 -6.430 11.021 1.00 0.00 C ATOM 442 O PRO A 31 -5.707 -7.295 11.306 1.00 0.00 O ATOM 443 CB PRO A 31 -5.046 -4.440 10.680 1.00 0.00 C ATOM 444 CG PRO A 31 -3.952 -4.604 11.678 1.00 0.00 C ATOM 445 CD PRO A 31 -4.586 -4.398 13.025 1.00 0.00 C ATOM 0 HA PRO A 31 -7.215 -4.452 11.099 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.838 -5.001 9.769 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.165 -3.396 10.391 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.503 -5.595 11.605 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.156 -3.880 11.507 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -4.112 -5.012 13.790 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.505 -3.362 13.353 1.00 0.00 H new ATOM 453 N THR A 32 -7.675 -6.700 10.391 1.00 0.00 N ATOM 454 CA THR A 32 -8.023 -8.057 9.989 1.00 0.00 C ATOM 455 C THR A 32 -8.112 -8.176 8.472 1.00 0.00 C ATOM 456 O THR A 32 -8.808 -9.046 7.948 1.00 0.00 O ATOM 457 CB THR A 32 -9.363 -8.499 10.608 1.00 0.00 C ATOM 458 OG1 THR A 32 -9.657 -9.848 10.225 1.00 0.00 O ATOM 459 CG2 THR A 32 -10.493 -7.583 10.164 1.00 0.00 C ATOM 0 H THR A 32 -8.372 -5.996 10.148 1.00 0.00 H new ATOM 0 HA THR A 32 -7.230 -8.709 10.355 1.00 0.00 H new ATOM 0 HB THR A 32 -9.274 -8.440 11.693 1.00 0.00 H new ATOM 0 HG1 THR A 32 -9.594 -9.933 9.251 1.00 0.00 H new ATOM 0 HG21 THR A 32 -11.429 -7.915 10.614 1.00 0.00 H new ATOM 0 HG22 THR A 32 -10.280 -6.562 10.481 1.00 0.00 H new ATOM 0 HG23 THR A 32 -10.581 -7.614 9.078 1.00 0.00 H new ATOM 467 N TYR A 33 -7.404 -7.298 7.772 1.00 0.00 N ATOM 468 CA TYR A 33 -7.405 -7.303 6.314 1.00 0.00 C ATOM 469 C TYR A 33 -6.085 -6.769 5.766 1.00 0.00 C ATOM 470 O TYR A 33 -5.313 -6.134 6.484 1.00 0.00 O ATOM 471 CB TYR A 33 -8.568 -6.465 5.781 1.00 0.00 C ATOM 472 CG TYR A 33 -9.872 -7.225 5.693 1.00 0.00 C ATOM 473 CD1 TYR A 33 -10.586 -7.553 6.839 1.00 0.00 C ATOM 474 CD2 TYR A 33 -10.390 -7.616 4.465 1.00 0.00 C ATOM 475 CE1 TYR A 33 -11.777 -8.247 6.765 1.00 0.00 C ATOM 476 CE2 TYR A 33 -11.582 -8.310 4.380 1.00 0.00 C ATOM 477 CZ TYR A 33 -12.271 -8.623 5.533 1.00 0.00 C ATOM 478 OH TYR A 33 -13.458 -9.316 5.453 1.00 0.00 O ATOM 0 H TYR A 33 -6.821 -6.573 8.191 1.00 0.00 H new ATOM 0 HA TYR A 33 -7.525 -8.333 5.980 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -8.706 -5.598 6.427 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -8.310 -6.088 4.792 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -10.202 -7.260 7.805 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -9.852 -7.373 3.561 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -12.319 -8.494 7.666 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -11.971 -8.605 3.417 1.00 0.00 H new ATOM 0 HH TYR A 33 -13.278 -10.278 5.496 1.00 0.00 H new ATOM 488 N VAL A 34 -5.833 -7.032 4.488 1.00 0.00 N ATOM 489 CA VAL A 34 -4.608 -6.577 3.841 1.00 0.00 C ATOM 490 C VAL A 34 -4.848 -6.261 2.369 1.00 0.00 C ATOM 491 O VAL A 34 -5.332 -7.102 1.614 1.00 0.00 O ATOM 492 CB VAL A 34 -3.490 -7.631 3.952 1.00 0.00 C ATOM 493 CG1 VAL A 34 -2.891 -7.630 5.350 1.00 0.00 C ATOM 494 CG2 VAL A 34 -4.021 -9.011 3.592 1.00 0.00 C ATOM 0 H VAL A 34 -6.461 -7.558 3.880 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.295 -5.670 4.358 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.701 -7.374 3.245 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.103 -8.381 5.409 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.472 -6.647 5.566 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.668 -7.861 6.079 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.218 -9.743 3.676 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.829 -9.279 4.273 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.397 -9.001 2.569 1.00 0.00 H new ATOM 504 N ASN A 35 -4.506 -5.040 1.969 1.00 0.00 N ATOM 505 CA ASN A 35 -4.684 -4.611 0.586 1.00 0.00 C ATOM 506 C ASN A 35 -3.640 -5.254 -0.322 1.00 0.00 C ATOM 507 O ASN A 35 -2.461 -4.908 -0.270 1.00 0.00 O ATOM 508 CB ASN A 35 -4.594 -3.087 0.488 1.00 0.00 C ATOM 509 CG ASN A 35 -5.047 -2.567 -0.863 1.00 0.00 C ATOM 510 OD1 ASN A 35 -4.759 -3.166 -1.899 1.00 0.00 O ATOM 511 ND2 ASN A 35 -5.761 -1.448 -0.856 1.00 0.00 N ATOM 0 H ASN A 35 -4.104 -4.331 2.582 1.00 0.00 H new ATOM 0 HA ASN A 35 -5.672 -4.932 0.256 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -5.206 -2.638 1.271 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -3.566 -2.774 0.669 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -6.095 -1.051 -1.734 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -5.976 -0.986 0.027 1.00 0.00 H new ATOM 518 N MET A 36 -4.084 -6.191 -1.154 1.00 0.00 N ATOM 519 CA MET A 36 -3.188 -6.880 -2.075 1.00 0.00 C ATOM 520 C MET A 36 -2.652 -5.920 -3.133 1.00 0.00 C ATOM 521 O MET A 36 -1.538 -6.088 -3.631 1.00 0.00 O ATOM 522 CB MET A 36 -3.914 -8.047 -2.749 1.00 0.00 C ATOM 523 CG MET A 36 -3.904 -9.325 -1.926 1.00 0.00 C ATOM 524 SD MET A 36 -2.438 -10.332 -2.225 1.00 0.00 S ATOM 525 CE MET A 36 -1.354 -9.746 -0.925 1.00 0.00 C ATOM 0 H MET A 36 -5.058 -6.490 -1.209 1.00 0.00 H new ATOM 0 HA MET A 36 -2.346 -7.268 -1.502 1.00 0.00 H new ATOM 0 HB2 MET A 36 -4.947 -7.758 -2.944 1.00 0.00 H new ATOM 0 HB3 MET A 36 -3.450 -8.243 -3.716 1.00 0.00 H new ATOM 0 HG2 MET A 36 -3.956 -9.071 -0.867 1.00 0.00 H new ATOM 0 HG3 MET A 36 -4.795 -9.909 -2.158 1.00 0.00 H new ATOM 0 HE1 MET A 36 -0.709 -10.560 -0.595 1.00 0.00 H new ATOM 0 HE2 MET A 36 -0.741 -8.928 -1.303 1.00 0.00 H new ATOM 0 HE3 MET A 36 -1.952 -9.393 -0.084 1.00 0.00 H new ATOM 535 N THR A 37 -3.452 -4.915 -3.473 1.00 0.00 N ATOM 536 CA THR A 37 -3.059 -3.929 -4.472 1.00 0.00 C ATOM 537 C THR A 37 -2.001 -2.980 -3.922 1.00 0.00 C ATOM 538 O THR A 37 -0.871 -2.945 -4.408 1.00 0.00 O ATOM 539 CB THR A 37 -4.268 -3.107 -4.957 1.00 0.00 C ATOM 540 OG1 THR A 37 -5.248 -3.974 -5.539 1.00 0.00 O ATOM 541 CG2 THR A 37 -3.839 -2.062 -5.976 1.00 0.00 C ATOM 0 H THR A 37 -4.377 -4.762 -3.071 1.00 0.00 H new ATOM 0 HA THR A 37 -2.644 -4.482 -5.315 1.00 0.00 H new ATOM 0 HB THR A 37 -4.700 -2.596 -4.097 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.845 -3.453 -6.116 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.710 -1.494 -6.304 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.115 -1.386 -5.521 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.384 -2.556 -6.834 1.00 0.00 H new ATOM 549 N VAL A 38 -2.374 -2.211 -2.904 1.00 0.00 N ATOM 550 CA VAL A 38 -1.456 -1.262 -2.286 1.00 0.00 C ATOM 551 C VAL A 38 -0.373 -1.983 -1.492 1.00 0.00 C ATOM 552 O VAL A 38 0.743 -1.484 -1.350 1.00 0.00 O ATOM 553 CB VAL A 38 -2.200 -0.288 -1.352 1.00 0.00 C ATOM 554 CG1 VAL A 38 -1.239 0.743 -0.780 1.00 0.00 C ATOM 555 CG2 VAL A 38 -3.344 0.390 -2.092 1.00 0.00 C ATOM 0 H VAL A 38 -3.306 -2.227 -2.490 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.994 -0.696 -3.095 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.620 -0.857 -0.523 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.783 1.422 -0.123 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.458 0.237 -0.213 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.787 1.310 -1.594 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.859 1.074 -1.418 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.949 0.947 -2.942 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.045 -0.365 -2.448 1.00 0.00 H new ATOM 565 N GLY A 39 -0.710 -3.161 -0.975 1.00 0.00 N ATOM 566 CA GLY A 39 0.245 -3.932 -0.201 1.00 0.00 C ATOM 567 C GLY A 39 0.317 -3.483 1.245 1.00 0.00 C ATOM 568 O GLY A 39 1.352 -3.628 1.896 1.00 0.00 O ATOM 0 H GLY A 39 -1.627 -3.595 -1.079 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.029 -4.986 -0.238 1.00 0.00 H new ATOM 0 HA3 GLY A 39 1.232 -3.843 -0.655 1.00 0.00 H new ATOM 572 N SER A 40 -0.784 -2.934 1.748 1.00 0.00 N ATOM 573 CA SER A 40 -0.839 -2.457 3.125 1.00 0.00 C ATOM 574 C SER A 40 -1.803 -3.300 3.954 1.00 0.00 C ATOM 575 O SER A 40 -2.409 -4.247 3.450 1.00 0.00 O ATOM 576 CB SER A 40 -1.268 -0.989 3.161 1.00 0.00 C ATOM 577 OG SER A 40 -2.673 -0.864 3.023 1.00 0.00 O ATOM 0 H SER A 40 -1.649 -2.809 1.223 1.00 0.00 H new ATOM 0 HA SER A 40 0.158 -2.548 3.555 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.950 -0.537 4.101 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.771 -0.442 2.360 1.00 0.00 H new ATOM 0 HG SER A 40 -2.952 0.030 3.311 1.00 0.00 H new ATOM 583 N PHE A 41 -1.939 -2.951 5.229 1.00 0.00 N ATOM 584 CA PHE A 41 -2.828 -3.676 6.130 1.00 0.00 C ATOM 585 C PHE A 41 -4.064 -2.844 6.460 1.00 0.00 C ATOM 586 O PHE A 41 -3.962 -1.765 7.043 1.00 0.00 O ATOM 587 CB PHE A 41 -2.090 -4.047 7.418 1.00 0.00 C ATOM 588 CG PHE A 41 -1.165 -5.220 7.262 1.00 0.00 C ATOM 589 CD1 PHE A 41 -0.017 -5.117 6.493 1.00 0.00 C ATOM 590 CD2 PHE A 41 -1.444 -6.427 7.884 1.00 0.00 C ATOM 591 CE1 PHE A 41 0.836 -6.194 6.348 1.00 0.00 C ATOM 592 CE2 PHE A 41 -0.594 -7.507 7.742 1.00 0.00 C ATOM 593 CZ PHE A 41 0.547 -7.391 6.973 1.00 0.00 C ATOM 0 H PHE A 41 -1.445 -2.171 5.662 1.00 0.00 H new ATOM 0 HA PHE A 41 -3.150 -4.588 5.628 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.517 -3.185 7.760 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -2.821 -4.272 8.194 1.00 0.00 H new ATOM 0 HD1 PHE A 41 0.214 -4.184 6.001 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -2.335 -6.524 8.486 1.00 0.00 H new ATOM 0 HE1 PHE A 41 1.728 -6.100 5.746 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.822 -8.442 8.232 1.00 0.00 H new ATOM 0 HZ PHE A 41 1.212 -8.235 6.861 1.00 0.00 H new ATOM 603 N VAL A 42 -5.231 -3.354 6.081 1.00 0.00 N ATOM 604 CA VAL A 42 -6.488 -2.660 6.337 1.00 0.00 C ATOM 605 C VAL A 42 -7.420 -3.509 7.194 1.00 0.00 C ATOM 606 O VAL A 42 -7.072 -4.619 7.597 1.00 0.00 O ATOM 607 CB VAL A 42 -7.205 -2.297 5.023 1.00 0.00 C ATOM 608 CG1 VAL A 42 -6.407 -1.260 4.247 1.00 0.00 C ATOM 609 CG2 VAL A 42 -7.438 -3.542 4.181 1.00 0.00 C ATOM 0 H VAL A 42 -5.333 -4.245 5.596 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.241 -1.744 6.873 1.00 0.00 H new ATOM 0 HB VAL A 42 -8.175 -1.865 5.267 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.929 -1.016 3.322 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.298 -0.359 4.850 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.421 -1.661 4.012 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -7.946 -3.266 3.257 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -6.480 -4.006 3.945 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.055 -4.247 4.737 1.00 0.00 H new ATOM 619 N CYS A 43 -8.607 -2.979 7.470 1.00 0.00 N ATOM 620 CA CYS A 43 -9.591 -3.687 8.280 1.00 0.00 C ATOM 621 C CYS A 43 -10.774 -4.137 7.428 1.00 0.00 C ATOM 622 O CYS A 43 -10.800 -3.921 6.216 1.00 0.00 O ATOM 623 CB CYS A 43 -10.081 -2.793 9.421 1.00 0.00 C ATOM 624 SG CYS A 43 -11.042 -1.346 8.872 1.00 0.00 S ATOM 0 H CYS A 43 -8.911 -2.061 7.144 1.00 0.00 H new ATOM 0 HA CYS A 43 -9.111 -4.571 8.700 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -10.695 -3.388 10.097 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -9.220 -2.448 9.993 1.00 0.00 H new ATOM 629 N THR A 44 -11.754 -4.766 8.071 1.00 0.00 N ATOM 630 CA THR A 44 -12.939 -5.247 7.373 1.00 0.00 C ATOM 631 C THR A 44 -13.781 -4.088 6.853 1.00 0.00 C ATOM 632 O THR A 44 -14.496 -4.223 5.860 1.00 0.00 O ATOM 633 CB THR A 44 -13.810 -6.129 8.289 1.00 0.00 C ATOM 634 OG1 THR A 44 -14.932 -6.635 7.557 1.00 0.00 O ATOM 635 CG2 THR A 44 -14.299 -5.339 9.494 1.00 0.00 C ATOM 0 H THR A 44 -11.750 -4.954 9.074 1.00 0.00 H new ATOM 0 HA THR A 44 -12.589 -5.843 6.531 1.00 0.00 H new ATOM 0 HB THR A 44 -13.201 -6.961 8.643 1.00 0.00 H new ATOM 0 HG1 THR A 44 -15.480 -7.196 8.145 1.00 0.00 H new ATOM 0 HG21 THR A 44 -14.912 -5.982 10.126 1.00 0.00 H new ATOM 0 HG22 THR A 44 -13.443 -4.978 10.064 1.00 0.00 H new ATOM 0 HG23 THR A 44 -14.893 -4.490 9.156 1.00 0.00 H new ATOM 643 N SER A 45 -13.690 -2.947 7.530 1.00 0.00 N ATOM 644 CA SER A 45 -14.446 -1.763 7.137 1.00 0.00 C ATOM 645 C SER A 45 -13.894 -1.171 5.844 1.00 0.00 C ATOM 646 O SER A 45 -14.552 -1.200 4.803 1.00 0.00 O ATOM 647 CB SER A 45 -14.406 -0.714 8.250 1.00 0.00 C ATOM 648 OG SER A 45 -15.248 0.384 7.946 1.00 0.00 O ATOM 0 H SER A 45 -13.101 -2.818 8.352 1.00 0.00 H new ATOM 0 HA SER A 45 -15.480 -2.062 6.967 1.00 0.00 H new ATOM 0 HB2 SER A 45 -14.718 -1.166 9.191 1.00 0.00 H new ATOM 0 HB3 SER A 45 -13.383 -0.364 8.388 1.00 0.00 H new ATOM 0 HG SER A 45 -15.206 1.040 8.673 1.00 0.00 H new ATOM 654 N CYS A 46 -12.682 -0.632 5.918 1.00 0.00 N ATOM 655 CA CYS A 46 -12.039 -0.031 4.755 1.00 0.00 C ATOM 656 C CYS A 46 -11.966 -1.025 3.599 1.00 0.00 C ATOM 657 O CYS A 46 -12.314 -0.700 2.464 1.00 0.00 O ATOM 658 CB CYS A 46 -10.633 0.452 5.116 1.00 0.00 C ATOM 659 SG CYS A 46 -10.583 1.613 6.518 1.00 0.00 S ATOM 0 H CYS A 46 -12.125 -0.599 6.772 1.00 0.00 H new ATOM 0 HA CYS A 46 -12.639 0.822 4.440 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -10.013 -0.413 5.352 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -10.191 0.933 4.244 1.00 0.00 H new ATOM 664 N SER A 47 -11.512 -2.238 3.897 1.00 0.00 N ATOM 665 CA SER A 47 -11.390 -3.279 2.884 1.00 0.00 C ATOM 666 C SER A 47 -12.564 -3.230 1.910 1.00 0.00 C ATOM 667 O SER A 47 -12.383 -3.321 0.697 1.00 0.00 O ATOM 668 CB SER A 47 -11.318 -4.658 3.544 1.00 0.00 C ATOM 669 OG SER A 47 -12.377 -4.836 4.469 1.00 0.00 O ATOM 0 H SER A 47 -11.222 -2.524 4.832 1.00 0.00 H new ATOM 0 HA SER A 47 -10.470 -3.102 2.327 1.00 0.00 H new ATOM 0 HB2 SER A 47 -11.364 -5.434 2.779 1.00 0.00 H new ATOM 0 HB3 SER A 47 -10.362 -4.771 4.055 1.00 0.00 H new ATOM 0 HG SER A 47 -12.722 -5.751 4.399 1.00 0.00 H new ATOM 675 N GLY A 48 -13.769 -3.085 2.453 1.00 0.00 N ATOM 676 CA GLY A 48 -14.956 -3.026 1.620 1.00 0.00 C ATOM 677 C GLY A 48 -15.061 -1.723 0.851 1.00 0.00 C ATOM 678 O GLY A 48 -15.542 -1.700 -0.281 1.00 0.00 O ATOM 0 H GLY A 48 -13.944 -3.007 3.455 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -14.945 -3.859 0.917 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -15.841 -3.148 2.245 1.00 0.00 H new ATOM 682 N SER A 49 -14.610 -0.636 1.469 1.00 0.00 N ATOM 683 CA SER A 49 -14.661 0.678 0.838 1.00 0.00 C ATOM 684 C SER A 49 -13.670 0.764 -0.318 1.00 0.00 C ATOM 685 O SER A 49 -14.038 1.104 -1.443 1.00 0.00 O ATOM 686 CB SER A 49 -14.360 1.772 1.864 1.00 0.00 C ATOM 687 OG SER A 49 -15.524 2.120 2.595 1.00 0.00 O ATOM 0 H SER A 49 -14.205 -0.639 2.405 1.00 0.00 H new ATOM 0 HA SER A 49 -15.667 0.826 0.444 1.00 0.00 H new ATOM 0 HB2 SER A 49 -13.585 1.429 2.550 1.00 0.00 H new ATOM 0 HB3 SER A 49 -13.969 2.653 1.356 1.00 0.00 H new ATOM 0 HG SER A 49 -15.305 2.820 3.245 1.00 0.00 H new ATOM 693 N LEU A 50 -12.410 0.452 -0.034 1.00 0.00 N ATOM 694 CA LEU A 50 -11.364 0.494 -1.049 1.00 0.00 C ATOM 695 C LEU A 50 -11.875 -0.048 -2.380 1.00 0.00 C ATOM 696 O LEU A 50 -11.596 0.515 -3.439 1.00 0.00 O ATOM 697 CB LEU A 50 -10.148 -0.314 -0.590 1.00 0.00 C ATOM 698 CG LEU A 50 -9.090 0.456 0.201 1.00 0.00 C ATOM 699 CD1 LEU A 50 -8.320 -0.482 1.116 1.00 0.00 C ATOM 700 CD2 LEU A 50 -8.142 1.182 -0.743 1.00 0.00 C ATOM 0 H LEU A 50 -12.088 0.167 0.891 1.00 0.00 H new ATOM 0 HA LEU A 50 -11.070 1.534 -1.190 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.499 -1.144 0.023 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.672 -0.747 -1.470 1.00 0.00 H new ATOM 0 HG LEU A 50 -9.595 1.199 0.819 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.572 0.084 1.671 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -9.009 -0.955 1.815 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.826 -1.249 0.519 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.396 1.725 -0.163 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -7.644 0.457 -1.387 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -8.706 1.885 -1.356 1.00 0.00 H new ATOM 712 N ARG A 51 -12.626 -1.142 -2.319 1.00 0.00 N ATOM 713 CA ARG A 51 -13.178 -1.759 -3.519 1.00 0.00 C ATOM 714 C ARG A 51 -14.068 -0.777 -4.275 1.00 0.00 C ATOM 715 O ARG A 51 -14.030 -0.707 -5.503 1.00 0.00 O ATOM 716 CB ARG A 51 -13.977 -3.012 -3.154 1.00 0.00 C ATOM 717 CG ARG A 51 -13.126 -4.127 -2.568 1.00 0.00 C ATOM 718 CD ARG A 51 -13.975 -5.326 -2.174 1.00 0.00 C ATOM 719 NE ARG A 51 -13.170 -6.533 -2.002 1.00 0.00 N ATOM 720 CZ ARG A 51 -13.611 -7.630 -1.396 1.00 0.00 C ATOM 721 NH1 ARG A 51 -14.843 -7.671 -0.907 1.00 0.00 N ATOM 722 NH2 ARG A 51 -12.819 -8.688 -1.278 1.00 0.00 N ATOM 0 H ARG A 51 -12.867 -1.620 -1.451 1.00 0.00 H new ATOM 0 HA ARG A 51 -12.348 -2.042 -4.166 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -14.752 -2.742 -2.436 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -14.483 -3.383 -4.045 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -12.375 -4.435 -3.296 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -12.590 -3.756 -1.694 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -14.503 -5.107 -1.246 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -14.732 -5.501 -2.938 1.00 0.00 H new ATOM 0 HE ARG A 51 -12.218 -6.534 -2.367 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -15.454 -6.859 -0.996 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -15.179 -8.514 -0.442 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -11.871 -8.660 -1.653 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -13.158 -9.530 -0.813 1.00 0.00 H new ATOM 736 N GLY A 52 -14.871 -0.021 -3.532 1.00 0.00 N ATOM 737 CA GLY A 52 -15.760 0.946 -4.149 1.00 0.00 C ATOM 738 C GLY A 52 -15.045 1.840 -5.143 1.00 0.00 C ATOM 739 O GLY A 52 -15.609 2.211 -6.173 1.00 0.00 O ATOM 0 H GLY A 52 -14.922 -0.061 -2.514 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -16.569 0.420 -4.655 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -16.216 1.562 -3.374 1.00 0.00 H new ATOM 743 N LEU A 53 -13.800 2.188 -4.834 1.00 0.00 N ATOM 744 CA LEU A 53 -13.007 3.045 -5.708 1.00 0.00 C ATOM 745 C LEU A 53 -12.874 2.432 -7.098 1.00 0.00 C ATOM 746 O LEU A 53 -13.296 1.300 -7.331 1.00 0.00 O ATOM 747 CB LEU A 53 -11.620 3.277 -5.105 1.00 0.00 C ATOM 748 CG LEU A 53 -11.591 3.760 -3.655 1.00 0.00 C ATOM 749 CD1 LEU A 53 -10.172 3.724 -3.109 1.00 0.00 C ATOM 750 CD2 LEU A 53 -12.169 5.164 -3.548 1.00 0.00 C ATOM 0 H LEU A 53 -13.319 1.890 -3.985 1.00 0.00 H new ATOM 0 HA LEU A 53 -13.521 4.002 -5.801 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -11.058 2.345 -5.168 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -11.096 4.008 -5.721 1.00 0.00 H new ATOM 0 HG LEU A 53 -12.207 3.088 -3.057 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -10.171 4.071 -2.076 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -9.792 2.703 -3.149 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -9.534 4.372 -3.710 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -12.140 5.491 -2.509 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -11.580 5.847 -4.160 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -13.201 5.160 -3.899 1.00 0.00 H new ATOM 762 N ASN A 54 -12.282 3.187 -8.018 1.00 0.00 N ATOM 763 CA ASN A 54 -12.091 2.717 -9.385 1.00 0.00 C ATOM 764 C ASN A 54 -10.700 3.079 -9.896 1.00 0.00 C ATOM 765 O ASN A 54 -10.313 4.247 -9.944 1.00 0.00 O ATOM 766 CB ASN A 54 -13.156 3.316 -10.306 1.00 0.00 C ATOM 767 CG ASN A 54 -12.842 3.097 -11.773 1.00 0.00 C ATOM 768 OD1 ASN A 54 -13.319 2.142 -12.386 1.00 0.00 O ATOM 769 ND2 ASN A 54 -12.034 3.983 -12.344 1.00 0.00 N ATOM 0 H ASN A 54 -11.926 4.127 -7.841 1.00 0.00 H new ATOM 0 HA ASN A 54 -12.188 1.631 -9.386 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -14.124 2.872 -10.074 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -13.241 4.385 -10.111 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -11.786 3.887 -13.329 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -11.661 4.760 -11.798 1.00 0.00 H new ATOM 776 N PRO A 55 -9.928 2.054 -10.287 1.00 0.00 N ATOM 777 CA PRO A 55 -10.377 0.660 -10.234 1.00 0.00 C ATOM 778 C PRO A 55 -10.504 0.145 -8.805 1.00 0.00 C ATOM 779 O PRO A 55 -9.864 0.646 -7.880 1.00 0.00 O ATOM 780 CB PRO A 55 -9.274 -0.097 -10.979 1.00 0.00 C ATOM 781 CG PRO A 55 -8.063 0.757 -10.831 1.00 0.00 C ATOM 782 CD PRO A 55 -8.557 2.177 -10.812 1.00 0.00 C ATOM 0 HA PRO A 55 -11.368 0.535 -10.670 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -9.115 -1.087 -10.552 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -9.532 -0.240 -12.028 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -7.527 0.518 -9.912 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.369 0.596 -11.656 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -7.938 2.809 -10.175 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -8.546 2.620 -11.808 1.00 0.00 H new ATOM 790 N PRO A 56 -11.349 -0.879 -8.616 1.00 0.00 N ATOM 791 CA PRO A 56 -11.579 -1.484 -7.301 1.00 0.00 C ATOM 792 C PRO A 56 -10.368 -2.264 -6.802 1.00 0.00 C ATOM 793 O PRO A 56 -9.959 -3.253 -7.412 1.00 0.00 O ATOM 794 CB PRO A 56 -12.759 -2.428 -7.546 1.00 0.00 C ATOM 795 CG PRO A 56 -12.688 -2.755 -8.997 1.00 0.00 C ATOM 796 CD PRO A 56 -12.146 -1.526 -9.673 1.00 0.00 C ATOM 0 HA PRO A 56 -11.769 -0.733 -6.534 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -12.681 -3.326 -6.934 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -13.706 -1.951 -7.294 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -12.040 -3.614 -9.172 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -13.672 -3.013 -9.387 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.534 -1.780 -10.539 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -12.946 -0.876 -10.028 1.00 0.00 H new ATOM 804 N HIS A 57 -9.797 -1.814 -5.689 1.00 0.00 N ATOM 805 CA HIS A 57 -8.632 -2.471 -5.107 1.00 0.00 C ATOM 806 C HIS A 57 -8.974 -3.891 -4.664 1.00 0.00 C ATOM 807 O HIS A 57 -10.133 -4.303 -4.709 1.00 0.00 O ATOM 808 CB HIS A 57 -8.106 -1.666 -3.919 1.00 0.00 C ATOM 809 CG HIS A 57 -7.618 -0.300 -4.289 1.00 0.00 C ATOM 810 ND1 HIS A 57 -6.808 0.458 -3.470 1.00 0.00 N ATOM 811 CD2 HIS A 57 -7.829 0.444 -5.400 1.00 0.00 C ATOM 812 CE1 HIS A 57 -6.543 1.610 -4.061 1.00 0.00 C ATOM 813 NE2 HIS A 57 -7.150 1.626 -5.234 1.00 0.00 N ATOM 0 H HIS A 57 -10.122 -0.997 -5.172 1.00 0.00 H new ATOM 0 HA HIS A 57 -7.856 -2.524 -5.871 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -8.898 -1.571 -3.176 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -7.292 -2.218 -3.448 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -8.421 0.161 -6.258 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -5.934 2.403 -3.654 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -7.119 2.392 -5.907 1.00 0.00 H new ATOM 821 N ARG A 58 -7.957 -4.634 -4.238 1.00 0.00 N ATOM 822 CA ARG A 58 -8.150 -6.007 -3.790 1.00 0.00 C ATOM 823 C ARG A 58 -7.866 -6.136 -2.296 1.00 0.00 C ATOM 824 O ARG A 58 -6.818 -5.707 -1.814 1.00 0.00 O ATOM 825 CB ARG A 58 -7.243 -6.955 -4.576 1.00 0.00 C ATOM 826 CG ARG A 58 -7.732 -7.235 -5.988 1.00 0.00 C ATOM 827 CD ARG A 58 -6.831 -8.229 -6.703 1.00 0.00 C ATOM 828 NE ARG A 58 -7.022 -9.592 -6.215 1.00 0.00 N ATOM 829 CZ ARG A 58 -6.699 -10.675 -6.912 1.00 0.00 C ATOM 830 NH1 ARG A 58 -6.169 -10.555 -8.122 1.00 0.00 N ATOM 831 NH2 ARG A 58 -6.903 -11.882 -6.400 1.00 0.00 N ATOM 0 H ARG A 58 -6.992 -4.308 -4.194 1.00 0.00 H new ATOM 0 HA ARG A 58 -9.190 -6.279 -3.970 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -6.241 -6.528 -4.625 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -7.161 -7.898 -4.035 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -8.749 -7.625 -5.951 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -7.768 -6.304 -6.553 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -7.033 -8.196 -7.774 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.790 -7.938 -6.566 1.00 0.00 H new ATOM 0 HE ARG A 58 -7.426 -9.719 -5.287 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -6.009 -9.629 -8.519 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -5.922 -11.389 -8.655 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -7.309 -11.979 -5.469 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -6.654 -12.713 -6.937 1.00 0.00 H new ATOM 845 N VAL A 59 -8.807 -6.730 -1.569 1.00 0.00 N ATOM 846 CA VAL A 59 -8.658 -6.916 -0.130 1.00 0.00 C ATOM 847 C VAL A 59 -8.991 -8.347 0.276 1.00 0.00 C ATOM 848 O VAL A 59 -9.937 -8.946 -0.236 1.00 0.00 O ATOM 849 CB VAL A 59 -9.559 -5.947 0.658 1.00 0.00 C ATOM 850 CG1 VAL A 59 -8.859 -4.612 0.862 1.00 0.00 C ATOM 851 CG2 VAL A 59 -10.889 -5.757 -0.057 1.00 0.00 C ATOM 0 H VAL A 59 -9.681 -7.091 -1.953 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.616 -6.706 0.110 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.757 -6.379 1.639 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -9.511 -3.941 1.421 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.935 -4.767 1.419 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -8.628 -4.170 -0.107 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -11.514 -5.069 0.513 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.712 -5.347 -1.051 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -11.395 -6.718 -0.146 1.00 0.00 H new ATOM 861 N LYS A 60 -8.207 -8.891 1.201 1.00 0.00 N ATOM 862 CA LYS A 60 -8.419 -10.252 1.680 1.00 0.00 C ATOM 863 C LYS A 60 -8.220 -10.335 3.190 1.00 0.00 C ATOM 864 O LYS A 60 -7.281 -9.755 3.734 1.00 0.00 O ATOM 865 CB LYS A 60 -7.463 -11.217 0.975 1.00 0.00 C ATOM 866 CG LYS A 60 -7.984 -11.724 -0.359 1.00 0.00 C ATOM 867 CD LYS A 60 -6.874 -12.341 -1.193 1.00 0.00 C ATOM 868 CE LYS A 60 -6.695 -13.818 -0.877 1.00 0.00 C ATOM 869 NZ LYS A 60 -6.058 -14.554 -2.004 1.00 0.00 N ATOM 0 H LYS A 60 -7.419 -8.410 1.634 1.00 0.00 H new ATOM 0 HA LYS A 60 -9.446 -10.535 1.451 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -6.508 -10.717 0.816 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -7.272 -12.068 1.628 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -8.766 -12.464 -0.188 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -8.439 -10.901 -0.909 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -7.102 -12.219 -2.252 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -5.940 -11.812 -1.006 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -6.083 -13.926 0.019 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -7.666 -14.262 -0.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -6.046 -15.572 -1.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -6.599 -14.389 -2.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -5.083 -14.216 -2.132 1.00 0.00 H new ATOM 883 N SER A 61 -9.108 -11.061 3.860 1.00 0.00 N ATOM 884 CA SER A 61 -9.031 -11.218 5.308 1.00 0.00 C ATOM 885 C SER A 61 -7.691 -11.820 5.718 1.00 0.00 C ATOM 886 O SER A 61 -7.069 -12.557 4.952 1.00 0.00 O ATOM 887 CB SER A 61 -10.175 -12.103 5.808 1.00 0.00 C ATOM 888 OG SER A 61 -11.422 -11.439 5.690 1.00 0.00 O ATOM 0 H SER A 61 -9.890 -11.550 3.424 1.00 0.00 H new ATOM 0 HA SER A 61 -9.120 -10.231 5.761 1.00 0.00 H new ATOM 0 HB2 SER A 61 -10.198 -13.031 5.236 1.00 0.00 H new ATOM 0 HB3 SER A 61 -10.001 -12.374 6.849 1.00 0.00 H new ATOM 0 HG SER A 61 -11.271 -10.480 5.559 1.00 0.00 H new ATOM 894 N ILE A 62 -7.253 -11.501 6.931 1.00 0.00 N ATOM 895 CA ILE A 62 -5.987 -12.011 7.445 1.00 0.00 C ATOM 896 C ILE A 62 -6.178 -13.352 8.144 1.00 0.00 C ATOM 897 O ILE A 62 -5.325 -14.236 8.058 1.00 0.00 O ATOM 898 CB ILE A 62 -5.338 -11.019 8.428 1.00 0.00 C ATOM 899 CG1 ILE A 62 -5.030 -9.697 7.724 1.00 0.00 C ATOM 900 CG2 ILE A 62 -4.072 -11.617 9.024 1.00 0.00 C ATOM 901 CD1 ILE A 62 -4.716 -8.564 8.676 1.00 0.00 C ATOM 0 H ILE A 62 -7.756 -10.892 7.577 1.00 0.00 H new ATOM 0 HA ILE A 62 -5.328 -12.142 6.587 1.00 0.00 H new ATOM 0 HB ILE A 62 -6.039 -10.821 9.238 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -4.184 -9.841 7.052 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -5.883 -9.416 7.107 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -3.624 -10.904 9.717 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.319 -12.535 9.557 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.364 -11.840 8.226 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -4.508 -7.658 8.107 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -5.570 -8.393 9.332 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.844 -8.824 9.276 1.00 0.00 H new ATOM 913 N SER A 63 -7.304 -13.498 8.835 1.00 0.00 N ATOM 914 CA SER A 63 -7.607 -14.731 9.552 1.00 0.00 C ATOM 915 C SER A 63 -8.632 -15.565 8.789 1.00 0.00 C ATOM 916 O SER A 63 -8.454 -16.768 8.602 1.00 0.00 O ATOM 917 CB SER A 63 -8.131 -14.416 10.954 1.00 0.00 C ATOM 918 OG SER A 63 -7.212 -13.612 11.673 1.00 0.00 O ATOM 0 H SER A 63 -8.022 -12.777 8.913 1.00 0.00 H new ATOM 0 HA SER A 63 -6.686 -15.308 9.638 1.00 0.00 H new ATOM 0 HB2 SER A 63 -9.089 -13.902 10.880 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.309 -15.345 11.496 1.00 0.00 H new ATOM 0 HG SER A 63 -7.571 -13.423 12.565 1.00 0.00 H new ATOM 924 N MET A 64 -9.706 -14.916 8.351 1.00 0.00 N ATOM 925 CA MET A 64 -10.759 -15.596 7.607 1.00 0.00 C ATOM 926 C MET A 64 -10.235 -16.113 6.271 1.00 0.00 C ATOM 927 O MET A 64 -10.612 -17.195 5.820 1.00 0.00 O ATOM 928 CB MET A 64 -11.940 -14.652 7.374 1.00 0.00 C ATOM 929 CG MET A 64 -13.254 -15.373 7.121 1.00 0.00 C ATOM 930 SD MET A 64 -14.691 -14.342 7.471 1.00 0.00 S ATOM 931 CE MET A 64 -15.257 -13.975 5.812 1.00 0.00 C ATOM 0 H MET A 64 -9.870 -13.920 8.499 1.00 0.00 H new ATOM 0 HA MET A 64 -11.095 -16.447 8.199 1.00 0.00 H new ATOM 0 HB2 MET A 64 -12.053 -14.003 8.242 1.00 0.00 H new ATOM 0 HB3 MET A 64 -11.718 -14.009 6.522 1.00 0.00 H new ATOM 0 HG2 MET A 64 -13.290 -15.699 6.082 1.00 0.00 H new ATOM 0 HG3 MET A 64 -13.296 -16.270 7.739 1.00 0.00 H new ATOM 0 HE1 MET A 64 -16.143 -13.343 5.862 1.00 0.00 H new ATOM 0 HE2 MET A 64 -14.470 -13.455 5.266 1.00 0.00 H new ATOM 0 HE3 MET A 64 -15.502 -14.904 5.297 1.00 0.00 H new ATOM 941 N THR A 65 -9.363 -15.332 5.640 1.00 0.00 N ATOM 942 CA THR A 65 -8.789 -15.709 4.355 1.00 0.00 C ATOM 943 C THR A 65 -7.304 -16.029 4.490 1.00 0.00 C ATOM 944 O THR A 65 -6.592 -15.406 5.278 1.00 0.00 O ATOM 945 CB THR A 65 -8.969 -14.593 3.310 1.00 0.00 C ATOM 946 OG1 THR A 65 -10.343 -14.195 3.250 1.00 0.00 O ATOM 947 CG2 THR A 65 -8.511 -15.059 1.936 1.00 0.00 C ATOM 0 H THR A 65 -9.039 -14.434 5.999 1.00 0.00 H new ATOM 0 HA THR A 65 -9.321 -16.599 4.020 1.00 0.00 H new ATOM 0 HB THR A 65 -8.357 -13.742 3.611 1.00 0.00 H new ATOM 0 HG1 THR A 65 -10.449 -13.484 2.584 1.00 0.00 H new ATOM 0 HG21 THR A 65 -8.648 -14.254 1.214 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.457 -15.334 1.978 1.00 0.00 H new ATOM 0 HG23 THR A 65 -9.100 -15.924 1.630 1.00 0.00 H new ATOM 955 N THR A 66 -6.842 -17.005 3.714 1.00 0.00 N ATOM 956 CA THR A 66 -5.441 -17.408 3.747 1.00 0.00 C ATOM 957 C THR A 66 -4.658 -16.766 2.608 1.00 0.00 C ATOM 958 O THR A 66 -5.235 -16.140 1.719 1.00 0.00 O ATOM 959 CB THR A 66 -5.295 -18.939 3.656 1.00 0.00 C ATOM 960 OG1 THR A 66 -3.918 -19.308 3.786 1.00 0.00 O ATOM 961 CG2 THR A 66 -5.843 -19.458 2.335 1.00 0.00 C ATOM 0 H THR A 66 -7.417 -17.531 3.056 1.00 0.00 H new ATOM 0 HA THR A 66 -5.036 -17.068 4.700 1.00 0.00 H new ATOM 0 HB THR A 66 -5.868 -19.386 4.468 1.00 0.00 H new ATOM 0 HG1 THR A 66 -3.834 -20.283 3.729 1.00 0.00 H new ATOM 0 HG21 THR A 66 -5.729 -20.541 2.294 1.00 0.00 H new ATOM 0 HG22 THR A 66 -6.899 -19.201 2.253 1.00 0.00 H new ATOM 0 HG23 THR A 66 -5.294 -19.004 1.510 1.00 0.00 H new ATOM 969 N PHE A 67 -3.339 -16.926 2.640 1.00 0.00 N ATOM 970 CA PHE A 67 -2.475 -16.361 1.610 1.00 0.00 C ATOM 971 C PHE A 67 -1.397 -17.358 1.197 1.00 0.00 C ATOM 972 O PHE A 67 -1.172 -18.364 1.872 1.00 0.00 O ATOM 973 CB PHE A 67 -1.825 -15.069 2.111 1.00 0.00 C ATOM 974 CG PHE A 67 -2.806 -13.954 2.337 1.00 0.00 C ATOM 975 CD1 PHE A 67 -3.419 -13.791 3.569 1.00 0.00 C ATOM 976 CD2 PHE A 67 -3.114 -13.068 1.317 1.00 0.00 C ATOM 977 CE1 PHE A 67 -4.321 -12.766 3.780 1.00 0.00 C ATOM 978 CE2 PHE A 67 -4.015 -12.040 1.523 1.00 0.00 C ATOM 979 CZ PHE A 67 -4.620 -11.890 2.755 1.00 0.00 C ATOM 0 H PHE A 67 -2.845 -17.442 3.368 1.00 0.00 H new ATOM 0 HA PHE A 67 -3.090 -16.136 0.739 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -1.299 -15.274 3.043 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -1.077 -14.744 1.388 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -3.189 -14.473 4.374 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -2.645 -13.182 0.351 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -4.792 -12.650 4.745 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -4.246 -11.355 0.721 1.00 0.00 H new ATOM 0 HZ PHE A 67 -5.326 -11.089 2.917 1.00 0.00 H new ATOM 989 N THR A 68 -0.732 -17.074 0.082 1.00 0.00 N ATOM 990 CA THR A 68 0.321 -17.945 -0.424 1.00 0.00 C ATOM 991 C THR A 68 1.695 -17.307 -0.249 1.00 0.00 C ATOM 992 O THR A 68 1.806 -16.097 -0.055 1.00 0.00 O ATOM 993 CB THR A 68 0.108 -18.279 -1.912 1.00 0.00 C ATOM 994 OG1 THR A 68 1.255 -18.963 -2.430 1.00 0.00 O ATOM 995 CG2 THR A 68 -0.141 -17.014 -2.720 1.00 0.00 C ATOM 0 H THR A 68 -0.904 -16.246 -0.489 1.00 0.00 H new ATOM 0 HA THR A 68 0.275 -18.866 0.157 1.00 0.00 H new ATOM 0 HB THR A 68 -0.767 -18.923 -1.995 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.111 -19.173 -3.376 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.289 -17.275 -3.768 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.031 -16.510 -2.343 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.718 -16.349 -2.629 1.00 0.00 H new ATOM 1003 N GLN A 69 2.737 -18.128 -0.320 1.00 0.00 N ATOM 1004 CA GLN A 69 4.104 -17.642 -0.170 1.00 0.00 C ATOM 1005 C GLN A 69 4.323 -16.373 -0.987 1.00 0.00 C ATOM 1006 O GLN A 69 4.556 -15.300 -0.432 1.00 0.00 O ATOM 1007 CB GLN A 69 5.101 -18.719 -0.600 1.00 0.00 C ATOM 1008 CG GLN A 69 6.549 -18.258 -0.559 1.00 0.00 C ATOM 1009 CD GLN A 69 6.946 -17.703 0.795 1.00 0.00 C ATOM 1010 OE1 GLN A 69 6.439 -18.137 1.830 1.00 0.00 O ATOM 1011 NE2 GLN A 69 7.858 -16.738 0.794 1.00 0.00 N ATOM 0 H GLN A 69 2.661 -19.132 -0.480 1.00 0.00 H new ATOM 0 HA GLN A 69 4.266 -17.407 0.882 1.00 0.00 H new ATOM 0 HB2 GLN A 69 4.986 -19.588 0.048 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.860 -19.042 -1.613 1.00 0.00 H new ATOM 0 HG2 GLN A 69 7.200 -19.095 -0.809 1.00 0.00 H new ATOM 0 HG3 GLN A 69 6.705 -17.494 -1.321 1.00 0.00 H new ATOM 0 HE21 GLN A 69 8.251 -16.409 -0.088 1.00 0.00 H new ATOM 0 HE22 GLN A 69 8.165 -16.326 1.675 1.00 0.00 H new ATOM 1020 N GLN A 70 4.246 -16.505 -2.307 1.00 0.00 N ATOM 1021 CA GLN A 70 4.438 -15.368 -3.200 1.00 0.00 C ATOM 1022 C GLN A 70 3.735 -14.127 -2.660 1.00 0.00 C ATOM 1023 O GLN A 70 4.300 -13.034 -2.657 1.00 0.00 O ATOM 1024 CB GLN A 70 3.914 -15.697 -4.599 1.00 0.00 C ATOM 1025 CG GLN A 70 2.433 -16.038 -4.629 1.00 0.00 C ATOM 1026 CD GLN A 70 1.910 -16.243 -6.037 1.00 0.00 C ATOM 1027 OE1 GLN A 70 1.143 -15.428 -6.552 1.00 0.00 O ATOM 1028 NE2 GLN A 70 2.323 -17.335 -6.669 1.00 0.00 N ATOM 0 H GLN A 70 4.052 -17.387 -2.782 1.00 0.00 H new ATOM 0 HA GLN A 70 5.507 -15.161 -3.259 1.00 0.00 H new ATOM 0 HB2 GLN A 70 4.096 -14.846 -5.255 1.00 0.00 H new ATOM 0 HB3 GLN A 70 4.480 -16.537 -5.002 1.00 0.00 H new ATOM 0 HG2 GLN A 70 2.260 -16.943 -4.046 1.00 0.00 H new ATOM 0 HG3 GLN A 70 1.870 -15.237 -4.149 1.00 0.00 H new ATOM 0 HE21 GLN A 70 2.959 -17.983 -6.204 1.00 0.00 H new ATOM 0 HE22 GLN A 70 2.005 -17.526 -7.619 1.00 0.00 H new ATOM 1037 N GLU A 71 2.498 -14.305 -2.204 1.00 0.00 N ATOM 1038 CA GLU A 71 1.718 -13.198 -1.663 1.00 0.00 C ATOM 1039 C GLU A 71 2.366 -12.642 -0.398 1.00 0.00 C ATOM 1040 O GLU A 71 2.636 -11.445 -0.301 1.00 0.00 O ATOM 1041 CB GLU A 71 0.289 -13.653 -1.359 1.00 0.00 C ATOM 1042 CG GLU A 71 -0.602 -13.721 -2.588 1.00 0.00 C ATOM 1043 CD GLU A 71 -1.975 -14.287 -2.282 1.00 0.00 C ATOM 1044 OE1 GLU A 71 -2.075 -15.142 -1.377 1.00 0.00 O ATOM 1045 OE2 GLU A 71 -2.949 -13.877 -2.948 1.00 0.00 O ATOM 0 H GLU A 71 2.016 -15.204 -2.199 1.00 0.00 H new ATOM 0 HA GLU A 71 1.689 -12.407 -2.413 1.00 0.00 H new ATOM 0 HB2 GLU A 71 0.322 -14.636 -0.889 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -0.155 -12.969 -0.636 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -0.711 -12.722 -3.009 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -0.120 -14.336 -3.348 1.00 0.00 H new ATOM 1052 N ILE A 72 2.613 -13.521 0.568 1.00 0.00 N ATOM 1053 CA ILE A 72 3.230 -13.119 1.826 1.00 0.00 C ATOM 1054 C ILE A 72 4.418 -12.194 1.585 1.00 0.00 C ATOM 1055 O ILE A 72 4.457 -11.074 2.092 1.00 0.00 O ATOM 1056 CB ILE A 72 3.700 -14.340 2.637 1.00 0.00 C ATOM 1057 CG1 ILE A 72 2.500 -15.186 3.068 1.00 0.00 C ATOM 1058 CG2 ILE A 72 4.502 -13.893 3.850 1.00 0.00 C ATOM 1059 CD1 ILE A 72 1.517 -14.440 3.942 1.00 0.00 C ATOM 0 H ILE A 72 2.395 -14.515 0.503 1.00 0.00 H new ATOM 0 HA ILE A 72 2.468 -12.586 2.395 1.00 0.00 H new ATOM 0 HB ILE A 72 4.344 -14.952 2.005 1.00 0.00 H new ATOM 0 HG12 ILE A 72 1.982 -15.547 2.179 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.859 -16.063 3.606 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.827 -14.768 4.413 1.00 0.00 H new ATOM 0 HG22 ILE A 72 5.374 -13.328 3.521 1.00 0.00 H new ATOM 0 HG23 ILE A 72 3.880 -13.263 4.485 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.693 -15.101 4.209 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.019 -14.102 4.848 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.129 -13.578 3.399 1.00 0.00 H new ATOM 1071 N GLU A 73 5.384 -12.672 0.806 1.00 0.00 N ATOM 1072 CA GLU A 73 6.573 -11.887 0.497 1.00 0.00 C ATOM 1073 C GLU A 73 6.192 -10.523 -0.073 1.00 0.00 C ATOM 1074 O GLU A 73 6.527 -9.484 0.497 1.00 0.00 O ATOM 1075 CB GLU A 73 7.463 -12.637 -0.497 1.00 0.00 C ATOM 1076 CG GLU A 73 8.073 -13.907 0.070 1.00 0.00 C ATOM 1077 CD GLU A 73 8.709 -13.693 1.430 1.00 0.00 C ATOM 1078 OE1 GLU A 73 9.906 -13.343 1.477 1.00 0.00 O ATOM 1079 OE2 GLU A 73 8.008 -13.874 2.448 1.00 0.00 O ATOM 0 H GLU A 73 5.366 -13.598 0.378 1.00 0.00 H new ATOM 0 HA GLU A 73 7.126 -11.733 1.424 1.00 0.00 H new ATOM 0 HB2 GLU A 73 6.875 -12.889 -1.380 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.264 -11.975 -0.826 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.301 -14.672 0.151 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.825 -14.285 -0.623 1.00 0.00 H new ATOM 1086 N PHE A 74 5.491 -10.535 -1.201 1.00 0.00 N ATOM 1087 CA PHE A 74 5.065 -9.300 -1.850 1.00 0.00 C ATOM 1088 C PHE A 74 4.568 -8.289 -0.821 1.00 0.00 C ATOM 1089 O PHE A 74 4.734 -7.080 -0.992 1.00 0.00 O ATOM 1090 CB PHE A 74 3.962 -9.590 -2.871 1.00 0.00 C ATOM 1091 CG PHE A 74 3.103 -8.397 -3.179 1.00 0.00 C ATOM 1092 CD1 PHE A 74 3.530 -7.433 -4.078 1.00 0.00 C ATOM 1093 CD2 PHE A 74 1.869 -8.239 -2.570 1.00 0.00 C ATOM 1094 CE1 PHE A 74 2.742 -6.334 -4.365 1.00 0.00 C ATOM 1095 CE2 PHE A 74 1.076 -7.143 -2.853 1.00 0.00 C ATOM 1096 CZ PHE A 74 1.514 -6.189 -3.750 1.00 0.00 C ATOM 0 H PHE A 74 5.205 -11.386 -1.685 1.00 0.00 H new ATOM 0 HA PHE A 74 5.925 -8.874 -2.366 1.00 0.00 H new ATOM 0 HB2 PHE A 74 4.417 -9.948 -3.794 1.00 0.00 H new ATOM 0 HB3 PHE A 74 3.331 -10.395 -2.494 1.00 0.00 H new ATOM 0 HD1 PHE A 74 4.490 -7.542 -4.560 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.522 -8.981 -1.866 1.00 0.00 H new ATOM 0 HE1 PHE A 74 3.086 -5.590 -5.069 1.00 0.00 H new ATOM 0 HE2 PHE A 74 0.115 -7.033 -2.373 1.00 0.00 H new ATOM 0 HZ PHE A 74 0.897 -5.330 -3.970 1.00 0.00 H new ATOM 1106 N LEU A 75 3.959 -8.791 0.247 1.00 0.00 N ATOM 1107 CA LEU A 75 3.437 -7.932 1.305 1.00 0.00 C ATOM 1108 C LEU A 75 4.564 -7.421 2.196 1.00 0.00 C ATOM 1109 O LEU A 75 4.603 -6.242 2.546 1.00 0.00 O ATOM 1110 CB LEU A 75 2.410 -8.693 2.146 1.00 0.00 C ATOM 1111 CG LEU A 75 0.962 -8.624 1.661 1.00 0.00 C ATOM 1112 CD1 LEU A 75 0.117 -9.683 2.353 1.00 0.00 C ATOM 1113 CD2 LEU A 75 0.384 -7.237 1.902 1.00 0.00 C ATOM 0 H LEU A 75 3.814 -9.788 0.404 1.00 0.00 H new ATOM 0 HA LEU A 75 2.951 -7.075 0.838 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.709 -9.740 2.188 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.449 -8.310 3.166 1.00 0.00 H new ATOM 0 HG LEU A 75 0.948 -8.820 0.589 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.911 -9.619 1.996 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.518 -10.672 2.130 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.137 -9.518 3.430 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.647 -7.207 1.551 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.411 -7.012 2.968 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.974 -6.498 1.360 1.00 0.00 H new ATOM 1125 N GLN A 76 5.478 -8.315 2.558 1.00 0.00 N ATOM 1126 CA GLN A 76 6.606 -7.953 3.408 1.00 0.00 C ATOM 1127 C GLN A 76 7.537 -6.981 2.691 1.00 0.00 C ATOM 1128 O GLN A 76 7.893 -5.933 3.230 1.00 0.00 O ATOM 1129 CB GLN A 76 7.380 -9.205 3.826 1.00 0.00 C ATOM 1130 CG GLN A 76 6.811 -9.888 5.059 1.00 0.00 C ATOM 1131 CD GLN A 76 7.710 -10.991 5.581 1.00 0.00 C ATOM 1132 OE1 GLN A 76 8.664 -10.734 6.317 1.00 0.00 O ATOM 1133 NE2 GLN A 76 7.410 -12.228 5.204 1.00 0.00 N ATOM 0 H GLN A 76 5.460 -9.295 2.276 1.00 0.00 H new ATOM 0 HA GLN A 76 6.214 -7.463 4.299 1.00 0.00 H new ATOM 0 HB2 GLN A 76 7.384 -9.913 2.998 1.00 0.00 H new ATOM 0 HB3 GLN A 76 8.418 -8.933 4.018 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.659 -9.146 5.843 1.00 0.00 H new ATOM 0 HG3 GLN A 76 5.832 -10.304 4.820 1.00 0.00 H new ATOM 0 HE21 GLN A 76 6.610 -12.395 4.593 1.00 0.00 H new ATOM 0 HE22 GLN A 76 7.979 -13.011 5.525 1.00 0.00 H new ATOM 1142 N LYS A 77 7.930 -7.335 1.472 1.00 0.00 N ATOM 1143 CA LYS A 77 8.819 -6.495 0.679 1.00 0.00 C ATOM 1144 C LYS A 77 8.341 -5.047 0.677 1.00 0.00 C ATOM 1145 O LYS A 77 9.143 -4.117 0.579 1.00 0.00 O ATOM 1146 CB LYS A 77 8.903 -7.018 -0.757 1.00 0.00 C ATOM 1147 CG LYS A 77 9.585 -8.370 -0.873 1.00 0.00 C ATOM 1148 CD LYS A 77 9.915 -8.706 -2.318 1.00 0.00 C ATOM 1149 CE LYS A 77 8.701 -9.252 -3.054 1.00 0.00 C ATOM 1150 NZ LYS A 77 9.058 -9.775 -4.402 1.00 0.00 N ATOM 0 H LYS A 77 7.646 -8.200 1.011 1.00 0.00 H new ATOM 0 HA LYS A 77 9.810 -6.531 1.130 1.00 0.00 H new ATOM 0 HB2 LYS A 77 7.896 -7.092 -1.167 1.00 0.00 H new ATOM 0 HB3 LYS A 77 9.443 -6.294 -1.367 1.00 0.00 H new ATOM 0 HG2 LYS A 77 10.500 -8.369 -0.281 1.00 0.00 H new ATOM 0 HG3 LYS A 77 8.937 -9.142 -0.458 1.00 0.00 H new ATOM 0 HD2 LYS A 77 10.279 -7.813 -2.826 1.00 0.00 H new ATOM 0 HD3 LYS A 77 10.720 -9.440 -2.347 1.00 0.00 H new ATOM 0 HE2 LYS A 77 8.247 -10.048 -2.464 1.00 0.00 H new ATOM 0 HE3 LYS A 77 7.954 -8.465 -3.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 8.204 -10.138 -4.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 9.468 -9.009 -4.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 9.752 -10.544 -4.304 1.00 0.00 H new ATOM 1164 N HIS A 78 7.029 -4.861 0.787 1.00 0.00 N ATOM 1165 CA HIS A 78 6.444 -3.525 0.800 1.00 0.00 C ATOM 1166 C HIS A 78 6.105 -3.094 2.223 1.00 0.00 C ATOM 1167 O HIS A 78 6.807 -2.278 2.819 1.00 0.00 O ATOM 1168 CB HIS A 78 5.187 -3.487 -0.070 1.00 0.00 C ATOM 1169 CG HIS A 78 5.474 -3.307 -1.529 1.00 0.00 C ATOM 1170 ND1 HIS A 78 5.589 -4.363 -2.409 1.00 0.00 N ATOM 1171 CD2 HIS A 78 5.667 -2.186 -2.262 1.00 0.00 C ATOM 1172 CE1 HIS A 78 5.843 -3.898 -3.620 1.00 0.00 C ATOM 1173 NE2 HIS A 78 5.894 -2.580 -3.557 1.00 0.00 N ATOM 0 H HIS A 78 6.351 -5.619 0.868 1.00 0.00 H new ATOM 0 HA HIS A 78 7.179 -2.830 0.394 1.00 0.00 H new ATOM 0 HB2 HIS A 78 4.630 -4.413 0.071 1.00 0.00 H new ATOM 0 HB3 HIS A 78 4.545 -2.674 0.269 1.00 0.00 H new ATOM 0 HD1 HIS A 78 5.493 -5.348 -2.164 1.00 0.00 H new ATOM 0 HD2 HIS A 78 5.646 -1.170 -1.896 1.00 0.00 H new ATOM 0 HE1 HIS A 78 5.985 -4.494 -4.509 1.00 0.00 H new ATOM 1181 N GLY A 79 5.023 -3.648 2.763 1.00 0.00 N ATOM 1182 CA GLY A 79 4.610 -3.308 4.112 1.00 0.00 C ATOM 1183 C GLY A 79 4.346 -1.825 4.281 1.00 0.00 C ATOM 1184 O GLY A 79 4.930 -1.000 3.579 1.00 0.00 O ATOM 0 H GLY A 79 4.425 -4.326 2.290 1.00 0.00 H new ATOM 0 HA2 GLY A 79 3.708 -3.866 4.364 1.00 0.00 H new ATOM 0 HA3 GLY A 79 5.383 -3.619 4.815 1.00 0.00 H new ATOM 1188 N ASN A 80 3.462 -1.485 5.213 1.00 0.00 N ATOM 1189 CA ASN A 80 3.121 -0.091 5.470 1.00 0.00 C ATOM 1190 C ASN A 80 4.374 0.735 5.745 1.00 0.00 C ATOM 1191 O ASN A 80 4.347 1.963 5.677 1.00 0.00 O ATOM 1192 CB ASN A 80 2.160 0.010 6.657 1.00 0.00 C ATOM 1193 CG ASN A 80 0.880 -0.773 6.433 1.00 0.00 C ATOM 1194 OD1 ASN A 80 0.822 -1.658 5.579 1.00 0.00 O ATOM 1195 ND2 ASN A 80 -0.153 -0.449 7.201 1.00 0.00 N ATOM 0 H ASN A 80 2.969 -2.156 5.803 1.00 0.00 H new ATOM 0 HA ASN A 80 2.633 0.307 4.580 1.00 0.00 H new ATOM 0 HB2 ASN A 80 2.656 -0.359 7.555 1.00 0.00 H new ATOM 0 HB3 ASN A 80 1.916 1.057 6.835 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -1.041 -0.941 7.096 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -0.059 0.292 7.896 1.00 0.00 H new ATOM 1202 N GLU A 81 5.471 0.050 6.055 1.00 0.00 N ATOM 1203 CA GLU A 81 6.734 0.721 6.340 1.00 0.00 C ATOM 1204 C GLU A 81 7.071 1.732 5.249 1.00 0.00 C ATOM 1205 O GLU A 81 7.172 2.932 5.508 1.00 0.00 O ATOM 1206 CB GLU A 81 7.863 -0.304 6.468 1.00 0.00 C ATOM 1207 CG GLU A 81 9.177 0.295 6.940 1.00 0.00 C ATOM 1208 CD GLU A 81 10.139 -0.752 7.469 1.00 0.00 C ATOM 1209 OE1 GLU A 81 9.932 -1.229 8.604 1.00 0.00 O ATOM 1210 OE2 GLU A 81 11.098 -1.095 6.746 1.00 0.00 O ATOM 0 H GLU A 81 5.510 -0.967 6.115 1.00 0.00 H new ATOM 0 HA GLU A 81 6.628 1.254 7.285 1.00 0.00 H new ATOM 0 HB2 GLU A 81 7.557 -1.084 7.166 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.018 -0.784 5.502 1.00 0.00 H new ATOM 0 HG2 GLU A 81 9.646 0.829 6.114 1.00 0.00 H new ATOM 0 HG3 GLU A 81 8.978 1.028 7.722 1.00 0.00 H new ATOM 1217 N VAL A 82 7.245 1.239 4.026 1.00 0.00 N ATOM 1218 CA VAL A 82 7.571 2.099 2.895 1.00 0.00 C ATOM 1219 C VAL A 82 6.311 2.533 2.154 1.00 0.00 C ATOM 1220 O VAL A 82 6.215 3.667 1.683 1.00 0.00 O ATOM 1221 CB VAL A 82 8.516 1.391 1.906 1.00 0.00 C ATOM 1222 CG1 VAL A 82 9.834 1.045 2.582 1.00 0.00 C ATOM 1223 CG2 VAL A 82 7.855 0.145 1.337 1.00 0.00 C ATOM 0 H VAL A 82 7.166 0.249 3.794 1.00 0.00 H new ATOM 0 HA VAL A 82 8.073 2.978 3.300 1.00 0.00 H new ATOM 0 HB VAL A 82 8.726 2.071 1.081 1.00 0.00 H new ATOM 0 HG11 VAL A 82 10.489 0.545 1.868 1.00 0.00 H new ATOM 0 HG12 VAL A 82 10.312 1.958 2.936 1.00 0.00 H new ATOM 0 HG13 VAL A 82 9.647 0.383 3.427 1.00 0.00 H new ATOM 0 HG21 VAL A 82 8.537 -0.343 0.640 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.613 -0.541 2.148 1.00 0.00 H new ATOM 0 HG23 VAL A 82 6.941 0.425 0.814 1.00 0.00 H new ATOM 1233 N CYS A 83 5.347 1.625 2.055 1.00 0.00 N ATOM 1234 CA CYS A 83 4.091 1.913 1.371 1.00 0.00 C ATOM 1235 C CYS A 83 3.552 3.281 1.778 1.00 0.00 C ATOM 1236 O CYS A 83 3.516 4.211 0.973 1.00 0.00 O ATOM 1237 CB CYS A 83 3.057 0.831 1.682 1.00 0.00 C ATOM 1238 SG CYS A 83 3.070 -0.557 0.523 1.00 0.00 S ATOM 0 H CYS A 83 5.411 0.683 2.440 1.00 0.00 H new ATOM 0 HA CYS A 83 4.284 1.923 0.298 1.00 0.00 H new ATOM 0 HB2 CYS A 83 3.235 0.452 2.688 1.00 0.00 H new ATOM 0 HB3 CYS A 83 2.064 1.281 1.682 1.00 0.00 H new ATOM 0 HG CYS A 83 1.927 -0.618 -0.093 1.00 0.00 H new ATOM 1244 N LYS A 84 3.132 3.395 3.034 1.00 0.00 N ATOM 1245 CA LYS A 84 2.594 4.649 3.549 1.00 0.00 C ATOM 1246 C LYS A 84 3.388 5.840 3.022 1.00 0.00 C ATOM 1247 O LYS A 84 2.868 6.655 2.262 1.00 0.00 O ATOM 1248 CB LYS A 84 2.615 4.645 5.080 1.00 0.00 C ATOM 1249 CG LYS A 84 1.743 5.722 5.702 1.00 0.00 C ATOM 1250 CD LYS A 84 1.180 5.277 7.042 1.00 0.00 C ATOM 1251 CE LYS A 84 2.282 4.826 7.988 1.00 0.00 C ATOM 1252 NZ LYS A 84 2.893 5.973 8.715 1.00 0.00 N ATOM 0 H LYS A 84 3.154 2.635 3.714 1.00 0.00 H new ATOM 0 HA LYS A 84 1.564 4.742 3.205 1.00 0.00 H new ATOM 0 HB2 LYS A 84 2.284 3.670 5.437 1.00 0.00 H new ATOM 0 HB3 LYS A 84 3.642 4.778 5.421 1.00 0.00 H new ATOM 0 HG2 LYS A 84 2.327 6.632 5.836 1.00 0.00 H new ATOM 0 HG3 LYS A 84 0.924 5.965 5.025 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.624 6.098 7.495 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.474 4.461 6.888 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.875 4.116 8.707 1.00 0.00 H new ATOM 0 HE3 LYS A 84 3.053 4.302 7.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 3.639 5.624 9.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 3.304 6.639 8.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 2.163 6.458 9.274 1.00 0.00 H new ATOM 1266 N GLN A 85 4.649 5.931 3.430 1.00 0.00 N ATOM 1267 CA GLN A 85 5.514 7.023 2.997 1.00 0.00 C ATOM 1268 C GLN A 85 5.370 7.271 1.499 1.00 0.00 C ATOM 1269 O GLN A 85 5.151 8.402 1.066 1.00 0.00 O ATOM 1270 CB GLN A 85 6.973 6.711 3.336 1.00 0.00 C ATOM 1271 CG GLN A 85 7.368 7.110 4.749 1.00 0.00 C ATOM 1272 CD GLN A 85 8.844 6.903 5.023 1.00 0.00 C ATOM 1273 OE1 GLN A 85 9.693 7.620 4.491 1.00 0.00 O ATOM 1274 NE2 GLN A 85 9.160 5.919 5.856 1.00 0.00 N ATOM 0 H GLN A 85 5.095 5.263 4.059 1.00 0.00 H new ATOM 0 HA GLN A 85 5.210 7.926 3.527 1.00 0.00 H new ATOM 0 HB2 GLN A 85 7.147 5.643 3.207 1.00 0.00 H new ATOM 0 HB3 GLN A 85 7.620 7.227 2.627 1.00 0.00 H new ATOM 0 HG2 GLN A 85 7.116 8.158 4.910 1.00 0.00 H new ATOM 0 HG3 GLN A 85 6.785 6.528 5.463 1.00 0.00 H new ATOM 0 HE21 GLN A 85 8.425 5.349 6.275 1.00 0.00 H new ATOM 0 HE22 GLN A 85 10.138 5.733 6.078 1.00 0.00 H new ATOM 1283 N ILE A 86 5.494 6.206 0.714 1.00 0.00 N ATOM 1284 CA ILE A 86 5.376 6.309 -0.735 1.00 0.00 C ATOM 1285 C ILE A 86 4.089 7.023 -1.133 1.00 0.00 C ATOM 1286 O ILE A 86 4.022 7.664 -2.182 1.00 0.00 O ATOM 1287 CB ILE A 86 5.407 4.921 -1.402 1.00 0.00 C ATOM 1288 CG1 ILE A 86 6.823 4.344 -1.366 1.00 0.00 C ATOM 1289 CG2 ILE A 86 4.902 5.010 -2.835 1.00 0.00 C ATOM 1290 CD1 ILE A 86 6.862 2.833 -1.411 1.00 0.00 C ATOM 0 H ILE A 86 5.676 5.263 1.057 1.00 0.00 H new ATOM 0 HA ILE A 86 6.232 6.889 -1.081 1.00 0.00 H new ATOM 0 HB ILE A 86 4.749 4.253 -0.846 1.00 0.00 H new ATOM 0 HG12 ILE A 86 7.389 4.739 -2.210 1.00 0.00 H new ATOM 0 HG13 ILE A 86 7.323 4.685 -0.459 1.00 0.00 H new ATOM 0 HG21 ILE A 86 4.930 4.021 -3.293 1.00 0.00 H new ATOM 0 HG22 ILE A 86 3.877 5.382 -2.837 1.00 0.00 H new ATOM 0 HG23 ILE A 86 5.536 5.691 -3.403 1.00 0.00 H new ATOM 0 HD11 ILE A 86 7.898 2.495 -1.382 1.00 0.00 H new ATOM 0 HD12 ILE A 86 6.324 2.429 -0.553 1.00 0.00 H new ATOM 0 HD13 ILE A 86 6.392 2.484 -2.330 1.00 0.00 H new ATOM 1302 N TRP A 87 3.071 6.911 -0.288 1.00 0.00 N ATOM 1303 CA TRP A 87 1.786 7.548 -0.550 1.00 0.00 C ATOM 1304 C TRP A 87 1.709 8.915 0.121 1.00 0.00 C ATOM 1305 O TRP A 87 0.898 9.760 -0.261 1.00 0.00 O ATOM 1306 CB TRP A 87 0.643 6.659 -0.058 1.00 0.00 C ATOM 1307 CG TRP A 87 0.574 5.337 -0.760 1.00 0.00 C ATOM 1308 CD1 TRP A 87 0.947 4.123 -0.258 1.00 0.00 C ATOM 1309 CD2 TRP A 87 0.106 5.096 -2.091 1.00 0.00 C ATOM 1310 NE1 TRP A 87 0.739 3.142 -1.197 1.00 0.00 N ATOM 1311 CE2 TRP A 87 0.222 3.713 -2.330 1.00 0.00 C ATOM 1312 CE3 TRP A 87 -0.403 5.914 -3.103 1.00 0.00 C ATOM 1313 CZ2 TRP A 87 -0.150 3.133 -3.540 1.00 0.00 C ATOM 1314 CZ3 TRP A 87 -0.772 5.337 -4.304 1.00 0.00 C ATOM 1315 CH2 TRP A 87 -0.645 3.957 -4.514 1.00 0.00 C ATOM 0 H TRP A 87 3.110 6.385 0.585 1.00 0.00 H new ATOM 0 HA TRP A 87 1.691 7.687 -1.627 1.00 0.00 H new ATOM 0 HB2 TRP A 87 0.760 6.488 1.012 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -0.302 7.185 -0.195 1.00 0.00 H new ATOM 0 HD1 TRP A 87 1.347 3.958 0.732 1.00 0.00 H new ATOM 0 HE1 TRP A 87 0.937 2.149 -1.071 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -0.506 6.978 -2.950 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -0.051 2.070 -3.704 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -1.165 5.960 -5.094 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -0.944 3.536 -5.463 1.00 0.00 H new ATOM 1326 N LEU A 88 2.557 9.127 1.121 1.00 0.00 N ATOM 1327 CA LEU A 88 2.585 10.393 1.845 1.00 0.00 C ATOM 1328 C LEU A 88 3.759 11.254 1.390 1.00 0.00 C ATOM 1329 O LEU A 88 4.187 12.164 2.100 1.00 0.00 O ATOM 1330 CB LEU A 88 2.677 10.140 3.351 1.00 0.00 C ATOM 1331 CG LEU A 88 1.761 9.047 3.904 1.00 0.00 C ATOM 1332 CD1 LEU A 88 1.607 9.193 5.410 1.00 0.00 C ATOM 1333 CD2 LEU A 88 0.403 9.092 3.220 1.00 0.00 C ATOM 0 H LEU A 88 3.234 8.439 1.449 1.00 0.00 H new ATOM 0 HA LEU A 88 1.660 10.928 1.629 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.707 9.880 3.593 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.453 11.072 3.870 1.00 0.00 H new ATOM 0 HG LEU A 88 2.216 8.078 3.698 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.952 8.407 5.787 1.00 0.00 H new ATOM 0 HD12 LEU A 88 2.584 9.110 5.885 1.00 0.00 H new ATOM 0 HD13 LEU A 88 1.174 10.167 5.639 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.235 8.307 3.626 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.060 10.063 3.394 1.00 0.00 H new ATOM 0 HD23 LEU A 88 0.530 8.938 2.148 1.00 0.00 H new ATOM 1345 N GLY A 89 4.275 10.963 0.200 1.00 0.00 N ATOM 1346 CA GLY A 89 5.393 11.721 -0.330 1.00 0.00 C ATOM 1347 C GLY A 89 5.262 13.208 -0.066 1.00 0.00 C ATOM 1348 O GLY A 89 6.199 13.845 0.419 1.00 0.00 O ATOM 0 H GLY A 89 3.938 10.215 -0.407 1.00 0.00 H new ATOM 0 HA2 GLY A 89 6.319 11.356 0.115 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.467 11.551 -1.404 1.00 0.00 H new ATOM 1352 N LEU A 90 4.099 13.764 -0.385 1.00 0.00 N ATOM 1353 CA LEU A 90 3.849 15.187 -0.181 1.00 0.00 C ATOM 1354 C LEU A 90 3.188 15.435 1.171 1.00 0.00 C ATOM 1355 O LEU A 90 3.410 16.469 1.802 1.00 0.00 O ATOM 1356 CB LEU A 90 2.965 15.736 -1.302 1.00 0.00 C ATOM 1357 CG LEU A 90 3.673 16.059 -2.618 1.00 0.00 C ATOM 1358 CD1 LEU A 90 2.660 16.271 -3.732 1.00 0.00 C ATOM 1359 CD2 LEU A 90 4.559 17.287 -2.460 1.00 0.00 C ATOM 0 H LEU A 90 3.314 13.251 -0.786 1.00 0.00 H new ATOM 0 HA LEU A 90 4.808 15.705 -0.197 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.178 15.010 -1.505 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.478 16.643 -0.943 1.00 0.00 H new ATOM 0 HG LEU A 90 4.304 15.212 -2.885 1.00 0.00 H new ATOM 0 HD11 LEU A 90 3.183 16.500 -4.661 1.00 0.00 H new ATOM 0 HD12 LEU A 90 2.068 15.365 -3.863 1.00 0.00 H new ATOM 0 HD13 LEU A 90 2.002 17.100 -3.472 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.055 17.502 -3.406 1.00 0.00 H new ATOM 0 HD22 LEU A 90 3.948 18.141 -2.168 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.309 17.098 -1.692 1.00 0.00 H new ATOM 1371 N PHE A 91 2.376 14.479 1.611 1.00 0.00 N ATOM 1372 CA PHE A 91 1.684 14.593 2.890 1.00 0.00 C ATOM 1373 C PHE A 91 2.673 14.544 4.050 1.00 0.00 C ATOM 1374 O PHE A 91 3.107 13.469 4.465 1.00 0.00 O ATOM 1375 CB PHE A 91 0.652 13.473 3.036 1.00 0.00 C ATOM 1376 CG PHE A 91 -0.420 13.773 4.045 1.00 0.00 C ATOM 1377 CD1 PHE A 91 -0.114 13.866 5.393 1.00 0.00 C ATOM 1378 CD2 PHE A 91 -1.733 13.963 3.645 1.00 0.00 C ATOM 1379 CE1 PHE A 91 -1.098 14.142 6.323 1.00 0.00 C ATOM 1380 CE2 PHE A 91 -2.721 14.239 4.571 1.00 0.00 C ATOM 1381 CZ PHE A 91 -2.403 14.330 5.912 1.00 0.00 C ATOM 0 H PHE A 91 2.181 13.617 1.101 1.00 0.00 H new ATOM 0 HA PHE A 91 1.172 15.555 2.914 1.00 0.00 H new ATOM 0 HB2 PHE A 91 0.187 13.290 2.067 1.00 0.00 H new ATOM 0 HB3 PHE A 91 1.163 12.554 3.323 1.00 0.00 H new ATOM 0 HD1 PHE A 91 0.905 13.721 5.721 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -1.987 13.895 2.598 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -0.847 14.211 7.371 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -3.741 14.383 4.246 1.00 0.00 H new ATOM 0 HZ PHE A 91 -3.173 14.548 6.637 1.00 0.00 H new ATOM 1391 N ASP A 92 3.025 15.714 4.570 1.00 0.00 N ATOM 1392 CA ASP A 92 3.962 15.806 5.683 1.00 0.00 C ATOM 1393 C ASP A 92 3.279 16.374 6.923 1.00 0.00 C ATOM 1394 O ASP A 92 3.848 17.204 7.632 1.00 0.00 O ATOM 1395 CB ASP A 92 5.158 16.679 5.300 1.00 0.00 C ATOM 1396 CG ASP A 92 6.368 16.420 6.176 1.00 0.00 C ATOM 1397 OD1 ASP A 92 6.180 16.064 7.358 1.00 0.00 O ATOM 1398 OD2 ASP A 92 7.504 16.573 5.679 1.00 0.00 O ATOM 0 H ASP A 92 2.675 16.613 4.238 1.00 0.00 H new ATOM 0 HA ASP A 92 4.315 14.800 5.913 1.00 0.00 H new ATOM 0 HB2 ASP A 92 5.421 16.494 4.259 1.00 0.00 H new ATOM 0 HB3 ASP A 92 4.876 17.729 5.376 1.00 0.00 H new ATOM 1403 N ASP A 93 2.056 15.921 7.178 1.00 0.00 N ATOM 1404 CA ASP A 93 1.295 16.384 8.333 1.00 0.00 C ATOM 1405 C ASP A 93 1.593 17.850 8.628 1.00 0.00 C ATOM 1406 O ASP A 93 1.670 18.257 9.788 1.00 0.00 O ATOM 1407 CB ASP A 93 1.617 15.528 9.559 1.00 0.00 C ATOM 1408 CG ASP A 93 0.735 14.298 9.654 1.00 0.00 C ATOM 1409 OD1 ASP A 93 -0.499 14.442 9.529 1.00 0.00 O ATOM 1410 OD2 ASP A 93 1.280 13.192 9.853 1.00 0.00 O ATOM 0 H ASP A 93 1.571 15.234 6.601 1.00 0.00 H new ATOM 0 HA ASP A 93 0.234 16.288 8.101 1.00 0.00 H new ATOM 0 HB2 ASP A 93 2.662 15.220 9.519 1.00 0.00 H new ATOM 0 HB3 ASP A 93 1.496 16.129 10.460 1.00 0.00 H new ATOM 1415 N ARG A 94 1.761 18.639 7.572 1.00 0.00 N ATOM 1416 CA ARG A 94 2.053 20.060 7.718 1.00 0.00 C ATOM 1417 C ARG A 94 0.971 20.909 7.057 1.00 0.00 C ATOM 1418 O ARG A 94 0.286 21.686 7.721 1.00 0.00 O ATOM 1419 CB ARG A 94 3.417 20.388 7.108 1.00 0.00 C ATOM 1420 CG ARG A 94 4.587 20.073 8.026 1.00 0.00 C ATOM 1421 CD ARG A 94 4.932 21.258 8.914 1.00 0.00 C ATOM 1422 NE ARG A 94 4.190 21.235 10.171 1.00 0.00 N ATOM 1423 CZ ARG A 94 4.526 20.479 11.210 1.00 0.00 C ATOM 1424 NH1 ARG A 94 5.588 19.687 11.141 1.00 0.00 N ATOM 1425 NH2 ARG A 94 3.800 20.513 12.320 1.00 0.00 N ATOM 0 H ARG A 94 1.700 18.318 6.606 1.00 0.00 H new ATOM 0 HA ARG A 94 2.073 20.293 8.783 1.00 0.00 H new ATOM 0 HB2 ARG A 94 3.534 19.829 6.180 1.00 0.00 H new ATOM 0 HB3 ARG A 94 3.444 21.446 6.849 1.00 0.00 H new ATOM 0 HG2 ARG A 94 4.342 19.211 8.646 1.00 0.00 H new ATOM 0 HG3 ARG A 94 5.457 19.799 7.428 1.00 0.00 H new ATOM 0 HD2 ARG A 94 6.001 21.254 9.124 1.00 0.00 H new ATOM 0 HD3 ARG A 94 4.715 22.184 8.382 1.00 0.00 H new ATOM 0 HE ARG A 94 3.368 21.833 10.256 1.00 0.00 H new ATOM 0 HH11 ARG A 94 6.148 19.658 10.289 1.00 0.00 H new ATOM 0 HH12 ARG A 94 5.845 19.107 11.940 1.00 0.00 H new ATOM 0 HH21 ARG A 94 2.982 21.120 12.376 1.00 0.00 H new ATOM 0 HH22 ARG A 94 4.059 19.932 13.117 1.00 0.00 H new ATOM 1439 N SER A 95 0.824 20.754 5.745 1.00 0.00 N ATOM 1440 CA SER A 95 -0.172 21.509 4.993 1.00 0.00 C ATOM 1441 C SER A 95 -1.440 20.685 4.791 1.00 0.00 C ATOM 1442 O SER A 95 -2.020 20.674 3.706 1.00 0.00 O ATOM 1443 CB SER A 95 0.396 21.932 3.637 1.00 0.00 C ATOM 1444 OG SER A 95 -0.485 22.818 2.969 1.00 0.00 O ATOM 0 H SER A 95 1.382 20.113 5.181 1.00 0.00 H new ATOM 0 HA SER A 95 -0.426 22.400 5.567 1.00 0.00 H new ATOM 0 HB2 SER A 95 1.363 22.414 3.779 1.00 0.00 H new ATOM 0 HB3 SER A 95 0.567 21.050 3.020 1.00 0.00 H new ATOM 0 HG SER A 95 -1.374 22.411 2.908 1.00 0.00 H new ATOM 1450 N SER A 96 -1.864 19.996 5.846 1.00 0.00 N ATOM 1451 CA SER A 96 -3.061 19.165 5.785 1.00 0.00 C ATOM 1452 C SER A 96 -3.424 18.634 7.168 1.00 0.00 C ATOM 1453 O SER A 96 -2.581 18.571 8.062 1.00 0.00 O ATOM 1454 CB SER A 96 -2.850 17.999 4.818 1.00 0.00 C ATOM 1455 OG SER A 96 -1.664 17.288 5.127 1.00 0.00 O ATOM 0 H SER A 96 -1.397 19.997 6.753 1.00 0.00 H new ATOM 0 HA SER A 96 -3.884 19.782 5.424 1.00 0.00 H new ATOM 0 HB2 SER A 96 -3.705 17.324 4.865 1.00 0.00 H new ATOM 0 HB3 SER A 96 -2.797 18.375 3.796 1.00 0.00 H new ATOM 0 HG SER A 96 -1.877 16.341 5.265 1.00 0.00 H new ATOM 1461 N ALA A 97 -4.686 18.252 7.336 1.00 0.00 N ATOM 1462 CA ALA A 97 -5.162 17.724 8.609 1.00 0.00 C ATOM 1463 C ALA A 97 -5.775 16.339 8.434 1.00 0.00 C ATOM 1464 O ALA A 97 -6.646 16.138 7.587 1.00 0.00 O ATOM 1465 CB ALA A 97 -6.173 18.676 9.230 1.00 0.00 C ATOM 0 H ALA A 97 -5.397 18.298 6.606 1.00 0.00 H new ATOM 0 HA ALA A 97 -4.307 17.632 9.279 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -6.520 18.269 10.180 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -5.704 19.645 9.400 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -7.021 18.797 8.556 1.00 0.00 H new ATOM 1471 N ILE A 98 -5.314 15.387 9.239 1.00 0.00 N ATOM 1472 CA ILE A 98 -5.818 14.021 9.172 1.00 0.00 C ATOM 1473 C ILE A 98 -7.323 13.978 9.413 1.00 0.00 C ATOM 1474 O ILE A 98 -7.844 14.578 10.353 1.00 0.00 O ATOM 1475 CB ILE A 98 -5.118 13.112 10.200 1.00 0.00 C ATOM 1476 CG1 ILE A 98 -3.620 13.026 9.901 1.00 0.00 C ATOM 1477 CG2 ILE A 98 -5.746 11.726 10.195 1.00 0.00 C ATOM 1478 CD1 ILE A 98 -3.308 12.406 8.557 1.00 0.00 C ATOM 0 H ILE A 98 -4.593 15.537 9.945 1.00 0.00 H new ATOM 0 HA ILE A 98 -5.603 13.654 8.169 1.00 0.00 H new ATOM 0 HB ILE A 98 -5.246 13.544 11.192 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -3.192 14.028 9.938 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -3.134 12.442 10.683 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -5.241 11.095 10.926 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -6.803 11.804 10.451 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -5.645 11.284 9.204 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -2.228 12.377 8.412 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -3.706 11.392 8.523 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -3.765 13.002 7.767 1.00 0.00 H new ATOM 1490 N PRO A 99 -8.040 13.249 8.545 1.00 0.00 N ATOM 1491 CA PRO A 99 -9.496 13.107 8.644 1.00 0.00 C ATOM 1492 C PRO A 99 -9.917 12.269 9.846 1.00 0.00 C ATOM 1493 O PRO A 99 -9.076 11.815 10.623 1.00 0.00 O ATOM 1494 CB PRO A 99 -9.873 12.399 7.340 1.00 0.00 C ATOM 1495 CG PRO A 99 -8.641 11.662 6.940 1.00 0.00 C ATOM 1496 CD PRO A 99 -7.485 12.506 7.401 1.00 0.00 C ATOM 0 HA PRO A 99 -9.990 14.069 8.781 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -10.712 11.718 7.487 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -10.173 13.114 6.574 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -8.611 10.674 7.400 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -8.609 11.512 5.861 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -6.632 11.894 7.695 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -7.139 13.178 6.615 1.00 0.00 H new ATOM 1504 N ASP A 100 -11.221 12.068 9.993 1.00 0.00 N ATOM 1505 CA ASP A 100 -11.753 11.282 11.101 1.00 0.00 C ATOM 1506 C ASP A 100 -11.712 9.792 10.779 1.00 0.00 C ATOM 1507 O ASP A 100 -11.612 9.399 9.617 1.00 0.00 O ATOM 1508 CB ASP A 100 -13.188 11.709 11.414 1.00 0.00 C ATOM 1509 CG ASP A 100 -13.247 12.890 12.363 1.00 0.00 C ATOM 1510 OD1 ASP A 100 -13.127 12.673 13.587 1.00 0.00 O ATOM 1511 OD2 ASP A 100 -13.413 14.031 11.883 1.00 0.00 O ATOM 0 H ASP A 100 -11.930 12.438 9.360 1.00 0.00 H new ATOM 0 HA ASP A 100 -11.129 11.464 11.976 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -13.698 11.967 10.486 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -13.727 10.868 11.851 1.00 0.00 H new ATOM 1516 N PHE A 101 -11.788 8.965 11.817 1.00 0.00 N ATOM 1517 CA PHE A 101 -11.757 7.517 11.646 1.00 0.00 C ATOM 1518 C PHE A 101 -13.089 6.893 12.050 1.00 0.00 C ATOM 1519 O PHE A 101 -13.564 5.952 11.415 1.00 0.00 O ATOM 1520 CB PHE A 101 -10.623 6.909 12.473 1.00 0.00 C ATOM 1521 CG PHE A 101 -9.323 7.650 12.346 1.00 0.00 C ATOM 1522 CD1 PHE A 101 -8.932 8.186 11.130 1.00 0.00 C ATOM 1523 CD2 PHE A 101 -8.492 7.810 13.443 1.00 0.00 C ATOM 1524 CE1 PHE A 101 -7.737 8.869 11.009 1.00 0.00 C ATOM 1525 CE2 PHE A 101 -7.296 8.493 13.328 1.00 0.00 C ATOM 1526 CZ PHE A 101 -6.917 9.022 12.110 1.00 0.00 C ATOM 0 H PHE A 101 -11.872 9.273 12.786 1.00 0.00 H new ATOM 0 HA PHE A 101 -11.582 7.304 10.591 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -10.919 6.889 13.522 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -10.474 5.874 12.164 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -9.569 8.069 10.266 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -8.782 7.397 14.398 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -7.445 9.283 10.055 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -6.658 8.613 14.191 1.00 0.00 H new ATOM 0 HZ PHE A 101 -5.982 9.554 12.018 1.00 0.00 H new ATOM 1536 N ARG A 102 -13.686 7.424 13.112 1.00 0.00 N ATOM 1537 CA ARG A 102 -14.962 6.919 13.604 1.00 0.00 C ATOM 1538 C ARG A 102 -15.971 6.790 12.466 1.00 0.00 C ATOM 1539 O ARG A 102 -16.793 5.874 12.452 1.00 0.00 O ATOM 1540 CB ARG A 102 -15.517 7.842 14.690 1.00 0.00 C ATOM 1541 CG ARG A 102 -14.673 7.873 15.953 1.00 0.00 C ATOM 1542 CD ARG A 102 -14.948 6.666 16.836 1.00 0.00 C ATOM 1543 NE ARG A 102 -14.007 6.577 17.950 1.00 0.00 N ATOM 1544 CZ ARG A 102 -12.790 6.056 17.845 1.00 0.00 C ATOM 1545 NH1 ARG A 102 -12.368 5.580 16.682 1.00 0.00 N ATOM 1546 NH2 ARG A 102 -11.992 6.011 18.904 1.00 0.00 N ATOM 0 H ARG A 102 -13.306 8.204 13.648 1.00 0.00 H new ATOM 0 HA ARG A 102 -14.792 5.930 14.030 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -15.595 8.853 14.290 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -16.527 7.522 14.946 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -13.617 7.896 15.686 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -14.881 8.787 16.509 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -15.965 6.725 17.224 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -14.888 5.757 16.237 1.00 0.00 H new ATOM 0 HE ARG A 102 -14.301 6.935 18.859 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -12.978 5.613 15.866 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -11.433 5.180 16.604 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -12.313 6.377 19.800 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -11.058 5.611 18.822 1.00 0.00 H new ATOM 1560 N ASP A 103 -15.902 7.715 11.514 1.00 0.00 N ATOM 1561 CA ASP A 103 -16.808 7.705 10.372 1.00 0.00 C ATOM 1562 C ASP A 103 -16.087 7.240 9.110 1.00 0.00 C ATOM 1563 O ASP A 103 -14.964 7.652 8.820 1.00 0.00 O ATOM 1564 CB ASP A 103 -17.400 9.098 10.152 1.00 0.00 C ATOM 1565 CG ASP A 103 -18.418 9.468 11.213 1.00 0.00 C ATOM 1566 OD1 ASP A 103 -18.005 9.751 12.357 1.00 0.00 O ATOM 1567 OD2 ASP A 103 -19.627 9.475 10.899 1.00 0.00 O ATOM 0 H ASP A 103 -15.228 8.481 11.511 1.00 0.00 H new ATOM 0 HA ASP A 103 -17.616 7.005 10.586 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -16.597 9.835 10.150 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -17.872 9.138 9.170 1.00 0.00 H new ATOM 1572 N PRO A 104 -16.746 6.360 8.342 1.00 0.00 N ATOM 1573 CA PRO A 104 -16.187 5.820 7.099 1.00 0.00 C ATOM 1574 C PRO A 104 -16.104 6.869 5.996 1.00 0.00 C ATOM 1575 O PRO A 104 -15.056 7.048 5.376 1.00 0.00 O ATOM 1576 CB PRO A 104 -17.177 4.717 6.715 1.00 0.00 C ATOM 1577 CG PRO A 104 -18.462 5.123 7.351 1.00 0.00 C ATOM 1578 CD PRO A 104 -18.088 5.826 8.627 1.00 0.00 C ATOM 0 HA PRO A 104 -15.164 5.467 7.232 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -17.279 4.636 5.633 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -16.846 3.744 7.078 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -19.031 5.782 6.695 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -19.089 4.255 7.553 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -18.793 6.621 8.869 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -18.076 5.141 9.475 1.00 0.00 H new ATOM 1586 N GLN A 105 -17.214 7.561 5.759 1.00 0.00 N ATOM 1587 CA GLN A 105 -17.265 8.592 4.730 1.00 0.00 C ATOM 1588 C GLN A 105 -16.001 9.445 4.751 1.00 0.00 C ATOM 1589 O GLN A 105 -15.310 9.577 3.740 1.00 0.00 O ATOM 1590 CB GLN A 105 -18.496 9.479 4.927 1.00 0.00 C ATOM 1591 CG GLN A 105 -18.908 10.235 3.675 1.00 0.00 C ATOM 1592 CD GLN A 105 -20.163 11.061 3.878 1.00 0.00 C ATOM 1593 OE1 GLN A 105 -21.121 10.611 4.507 1.00 0.00 O ATOM 1594 NE2 GLN A 105 -20.164 12.278 3.346 1.00 0.00 N ATOM 0 H GLN A 105 -18.089 7.426 6.265 1.00 0.00 H new ATOM 0 HA GLN A 105 -17.333 8.099 3.760 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -19.330 8.860 5.259 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -18.294 10.195 5.724 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -18.093 10.889 3.366 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -19.072 9.525 2.864 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -19.348 12.611 2.832 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -20.981 12.880 3.451 1.00 0.00 H new ATOM 1603 N LYS A 106 -15.703 10.024 5.909 1.00 0.00 N ATOM 1604 CA LYS A 106 -14.521 10.865 6.064 1.00 0.00 C ATOM 1605 C LYS A 106 -13.280 10.163 5.522 1.00 0.00 C ATOM 1606 O LYS A 106 -12.469 10.769 4.821 1.00 0.00 O ATOM 1607 CB LYS A 106 -14.315 11.223 7.537 1.00 0.00 C ATOM 1608 CG LYS A 106 -15.480 11.983 8.148 1.00 0.00 C ATOM 1609 CD LYS A 106 -15.428 13.460 7.796 1.00 0.00 C ATOM 1610 CE LYS A 106 -16.228 14.296 8.783 1.00 0.00 C ATOM 1611 NZ LYS A 106 -17.671 14.354 8.419 1.00 0.00 N ATOM 0 H LYS A 106 -16.264 9.926 6.755 1.00 0.00 H new ATOM 0 HA LYS A 106 -14.678 11.780 5.493 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -14.152 10.307 8.105 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -13.410 11.823 7.633 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -16.419 11.557 7.795 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -15.464 11.865 9.232 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -14.391 13.797 7.788 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -15.819 13.609 6.790 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -16.122 13.876 9.783 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -15.821 15.307 8.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -18.182 14.933 9.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -17.774 14.778 7.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -18.066 13.392 8.412 1.00 0.00 H new ATOM 1625 N VAL A 107 -13.139 8.882 5.848 1.00 0.00 N ATOM 1626 CA VAL A 107 -11.998 8.098 5.392 1.00 0.00 C ATOM 1627 C VAL A 107 -12.074 7.841 3.891 1.00 0.00 C ATOM 1628 O VAL A 107 -11.056 7.842 3.197 1.00 0.00 O ATOM 1629 CB VAL A 107 -11.914 6.748 6.129 1.00 0.00 C ATOM 1630 CG1 VAL A 107 -10.709 5.953 5.651 1.00 0.00 C ATOM 1631 CG2 VAL A 107 -11.856 6.967 7.634 1.00 0.00 C ATOM 0 H VAL A 107 -13.801 8.365 6.427 1.00 0.00 H new ATOM 0 HA VAL A 107 -11.104 8.681 5.614 1.00 0.00 H new ATOM 0 HB VAL A 107 -12.812 6.173 5.902 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -10.666 5.002 6.183 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -10.797 5.766 4.581 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -9.799 6.520 5.846 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -11.797 6.003 8.140 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -10.976 7.561 7.882 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -12.753 7.493 7.960 1.00 0.00 H new ATOM 1641 N LYS A 108 -13.286 7.620 3.394 1.00 0.00 N ATOM 1642 CA LYS A 108 -13.497 7.363 1.975 1.00 0.00 C ATOM 1643 C LYS A 108 -12.973 8.519 1.128 1.00 0.00 C ATOM 1644 O LYS A 108 -12.066 8.343 0.316 1.00 0.00 O ATOM 1645 CB LYS A 108 -14.984 7.142 1.690 1.00 0.00 C ATOM 1646 CG LYS A 108 -15.310 7.023 0.212 1.00 0.00 C ATOM 1647 CD LYS A 108 -16.590 6.236 -0.016 1.00 0.00 C ATOM 1648 CE LYS A 108 -17.081 6.373 -1.449 1.00 0.00 C ATOM 1649 NZ LYS A 108 -17.787 7.666 -1.671 1.00 0.00 N ATOM 0 H LYS A 108 -14.138 7.614 3.954 1.00 0.00 H new ATOM 0 HA LYS A 108 -12.945 6.461 1.710 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -15.312 6.236 2.200 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -15.553 7.970 2.113 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -15.412 8.018 -0.220 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -14.484 6.534 -0.305 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -16.417 5.184 0.211 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -17.361 6.588 0.669 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -16.235 6.299 -2.132 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -17.753 5.547 -1.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -17.719 7.931 -2.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -18.788 7.565 -1.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -17.348 8.406 -1.087 1.00 0.00 H new ATOM 1663 N GLU A 109 -13.550 9.700 1.326 1.00 0.00 N ATOM 1664 CA GLU A 109 -13.140 10.884 0.581 1.00 0.00 C ATOM 1665 C GLU A 109 -11.621 11.035 0.592 1.00 0.00 C ATOM 1666 O GLU A 109 -10.986 11.108 -0.460 1.00 0.00 O ATOM 1667 CB GLU A 109 -13.791 12.136 1.171 1.00 0.00 C ATOM 1668 CG GLU A 109 -15.310 12.092 1.165 1.00 0.00 C ATOM 1669 CD GLU A 109 -15.886 11.983 -0.233 1.00 0.00 C ATOM 1670 OE1 GLU A 109 -15.468 12.770 -1.109 1.00 0.00 O ATOM 1671 OE2 GLU A 109 -16.753 11.112 -0.453 1.00 0.00 O ATOM 0 H GLU A 109 -14.302 9.862 1.996 1.00 0.00 H new ATOM 0 HA GLU A 109 -13.469 10.764 -0.451 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -13.444 12.267 2.196 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -13.459 13.008 0.608 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -15.647 11.243 1.760 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -15.697 12.991 1.644 1.00 0.00 H new ATOM 1678 N PHE A 110 -11.046 11.081 1.789 1.00 0.00 N ATOM 1679 CA PHE A 110 -9.602 11.225 1.938 1.00 0.00 C ATOM 1680 C PHE A 110 -8.866 10.097 1.221 1.00 0.00 C ATOM 1681 O PHE A 110 -7.827 10.316 0.597 1.00 0.00 O ATOM 1682 CB PHE A 110 -9.220 11.236 3.420 1.00 0.00 C ATOM 1683 CG PHE A 110 -7.737 11.252 3.656 1.00 0.00 C ATOM 1684 CD1 PHE A 110 -6.959 10.152 3.334 1.00 0.00 C ATOM 1685 CD2 PHE A 110 -7.121 12.367 4.201 1.00 0.00 C ATOM 1686 CE1 PHE A 110 -5.594 10.163 3.550 1.00 0.00 C ATOM 1687 CE2 PHE A 110 -5.756 12.385 4.419 1.00 0.00 C ATOM 1688 CZ PHE A 110 -4.992 11.281 4.094 1.00 0.00 C ATOM 0 H PHE A 110 -11.557 11.021 2.670 1.00 0.00 H new ATOM 0 HA PHE A 110 -9.308 12.172 1.486 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -9.665 12.110 3.895 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -9.648 10.358 3.904 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -7.425 9.275 2.909 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -7.714 13.232 4.458 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -4.999 9.299 3.294 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -5.288 13.261 4.843 1.00 0.00 H new ATOM 0 HZ PHE A 110 -3.926 11.292 4.265 1.00 0.00 H new ATOM 1698 N LEU A 111 -9.412 8.889 1.313 1.00 0.00 N ATOM 1699 CA LEU A 111 -8.809 7.726 0.674 1.00 0.00 C ATOM 1700 C LEU A 111 -8.723 7.918 -0.837 1.00 0.00 C ATOM 1701 O LEU A 111 -7.709 7.595 -1.456 1.00 0.00 O ATOM 1702 CB LEU A 111 -9.616 6.467 0.995 1.00 0.00 C ATOM 1703 CG LEU A 111 -9.220 5.721 2.269 1.00 0.00 C ATOM 1704 CD1 LEU A 111 -10.209 4.605 2.565 1.00 0.00 C ATOM 1705 CD2 LEU A 111 -7.808 5.167 2.146 1.00 0.00 C ATOM 0 H LEU A 111 -10.272 8.690 1.824 1.00 0.00 H new ATOM 0 HA LEU A 111 -7.798 7.611 1.065 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -10.667 6.744 1.072 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -9.528 5.780 0.154 1.00 0.00 H new ATOM 0 HG LEU A 111 -9.241 6.426 3.100 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -9.910 4.086 3.476 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -11.205 5.027 2.699 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -10.222 3.901 1.733 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -7.543 4.639 3.062 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -7.760 4.478 1.303 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -7.108 5.987 1.984 1.00 0.00 H new ATOM 1717 N GLN A 112 -9.793 8.446 -1.423 1.00 0.00 N ATOM 1718 CA GLN A 112 -9.837 8.682 -2.861 1.00 0.00 C ATOM 1719 C GLN A 112 -8.701 9.602 -3.297 1.00 0.00 C ATOM 1720 O GLN A 112 -7.894 9.243 -4.154 1.00 0.00 O ATOM 1721 CB GLN A 112 -11.183 9.292 -3.258 1.00 0.00 C ATOM 1722 CG GLN A 112 -12.362 8.358 -3.036 1.00 0.00 C ATOM 1723 CD GLN A 112 -13.694 9.082 -3.069 1.00 0.00 C ATOM 1724 OE1 GLN A 112 -13.763 10.262 -3.413 1.00 0.00 O ATOM 1725 NE2 GLN A 112 -14.760 8.377 -2.709 1.00 0.00 N ATOM 0 H GLN A 112 -10.640 8.718 -0.924 1.00 0.00 H new ATOM 0 HA GLN A 112 -9.717 7.723 -3.365 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -11.341 10.206 -2.686 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -11.148 9.576 -4.310 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -12.355 7.582 -3.802 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -12.248 7.858 -2.074 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -14.656 7.401 -2.431 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -15.683 8.811 -2.710 1.00 0.00 H new ATOM 1734 N GLU A 113 -8.645 10.789 -2.701 1.00 0.00 N ATOM 1735 CA GLU A 113 -7.608 11.760 -3.030 1.00 0.00 C ATOM 1736 C GLU A 113 -6.219 11.153 -2.852 1.00 0.00 C ATOM 1737 O GLU A 113 -5.222 11.711 -3.310 1.00 0.00 O ATOM 1738 CB GLU A 113 -7.749 13.006 -2.153 1.00 0.00 C ATOM 1739 CG GLU A 113 -9.085 13.712 -2.309 1.00 0.00 C ATOM 1740 CD GLU A 113 -9.358 14.136 -3.739 1.00 0.00 C ATOM 1741 OE1 GLU A 113 -8.553 14.913 -4.292 1.00 0.00 O ATOM 1742 OE2 GLU A 113 -10.378 13.689 -4.305 1.00 0.00 O ATOM 0 H GLU A 113 -9.305 11.101 -1.989 1.00 0.00 H new ATOM 0 HA GLU A 113 -7.730 12.045 -4.075 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -7.618 12.722 -1.109 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -6.948 13.704 -2.397 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -9.883 13.050 -1.972 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -9.105 14.590 -1.664 1.00 0.00 H new ATOM 1749 N LYS A 114 -6.162 10.007 -2.182 1.00 0.00 N ATOM 1750 CA LYS A 114 -4.897 9.323 -1.942 1.00 0.00 C ATOM 1751 C LYS A 114 -4.597 8.327 -3.058 1.00 0.00 C ATOM 1752 O LYS A 114 -3.447 8.163 -3.465 1.00 0.00 O ATOM 1753 CB LYS A 114 -4.932 8.599 -0.594 1.00 0.00 C ATOM 1754 CG LYS A 114 -3.556 8.247 -0.056 1.00 0.00 C ATOM 1755 CD LYS A 114 -3.646 7.538 1.284 1.00 0.00 C ATOM 1756 CE LYS A 114 -2.345 7.654 2.064 1.00 0.00 C ATOM 1757 NZ LYS A 114 -2.412 6.931 3.365 1.00 0.00 N ATOM 0 H LYS A 114 -6.978 9.532 -1.795 1.00 0.00 H new ATOM 0 HA LYS A 114 -4.105 10.072 -1.924 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -5.447 9.227 0.133 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -5.517 7.685 -0.697 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -3.037 7.610 -0.772 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -2.963 9.155 0.051 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -4.461 7.964 1.869 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -3.884 6.486 1.125 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -1.526 7.252 1.467 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -2.122 8.706 2.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -2.222 7.596 4.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -3.360 6.520 3.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -1.701 6.172 3.377 1.00 0.00 H new ATOM 1771 N TYR A 115 -5.639 7.665 -3.549 1.00 0.00 N ATOM 1772 CA TYR A 115 -5.487 6.685 -4.618 1.00 0.00 C ATOM 1773 C TYR A 115 -6.261 7.110 -5.862 1.00 0.00 C ATOM 1774 O TYR A 115 -5.698 7.209 -6.952 1.00 0.00 O ATOM 1775 CB TYR A 115 -5.968 5.310 -4.149 1.00 0.00 C ATOM 1776 CG TYR A 115 -5.635 5.012 -2.705 1.00 0.00 C ATOM 1777 CD1 TYR A 115 -4.348 5.197 -2.215 1.00 0.00 C ATOM 1778 CD2 TYR A 115 -6.608 4.547 -1.829 1.00 0.00 C ATOM 1779 CE1 TYR A 115 -4.039 4.925 -0.897 1.00 0.00 C ATOM 1780 CE2 TYR A 115 -6.309 4.274 -0.508 1.00 0.00 C ATOM 1781 CZ TYR A 115 -5.023 4.464 -0.047 1.00 0.00 C ATOM 1782 OH TYR A 115 -4.720 4.193 1.268 1.00 0.00 O ATOM 0 H TYR A 115 -6.598 7.789 -3.224 1.00 0.00 H new ATOM 0 HA TYR A 115 -4.429 6.625 -4.874 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -7.048 5.246 -4.285 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -5.522 4.543 -4.782 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -3.576 5.560 -2.877 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -7.616 4.396 -2.187 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -3.033 5.072 -0.534 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -7.078 3.914 0.160 1.00 0.00 H new ATOM 0 HH TYR A 115 -4.054 3.475 1.309 1.00 0.00 H new ATOM 1792 N GLU A 116 -7.555 7.360 -5.689 1.00 0.00 N ATOM 1793 CA GLU A 116 -8.407 7.775 -6.797 1.00 0.00 C ATOM 1794 C GLU A 116 -7.772 8.928 -7.569 1.00 0.00 C ATOM 1795 O GLU A 116 -7.761 8.935 -8.801 1.00 0.00 O ATOM 1796 CB GLU A 116 -9.786 8.190 -6.282 1.00 0.00 C ATOM 1797 CG GLU A 116 -10.736 7.022 -6.075 1.00 0.00 C ATOM 1798 CD GLU A 116 -10.871 6.154 -7.312 1.00 0.00 C ATOM 1799 OE1 GLU A 116 -10.034 5.245 -7.494 1.00 0.00 O ATOM 1800 OE2 GLU A 116 -11.814 6.385 -8.097 1.00 0.00 O ATOM 0 H GLU A 116 -8.036 7.282 -4.793 1.00 0.00 H new ATOM 0 HA GLU A 116 -8.520 6.927 -7.472 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -9.667 8.722 -5.338 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -10.233 8.890 -6.988 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -10.381 6.412 -5.245 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -11.718 7.402 -5.794 1.00 0.00 H new ATOM 1807 N LYS A 117 -7.244 9.903 -6.837 1.00 0.00 N ATOM 1808 CA LYS A 117 -6.607 11.062 -7.450 1.00 0.00 C ATOM 1809 C LYS A 117 -5.089 10.981 -7.320 1.00 0.00 C ATOM 1810 O LYS A 117 -4.354 11.533 -8.139 1.00 0.00 O ATOM 1811 CB LYS A 117 -7.116 12.352 -6.804 1.00 0.00 C ATOM 1812 CG LYS A 117 -8.627 12.405 -6.662 1.00 0.00 C ATOM 1813 CD LYS A 117 -9.287 12.940 -7.921 1.00 0.00 C ATOM 1814 CE LYS A 117 -9.588 11.824 -8.910 1.00 0.00 C ATOM 1815 NZ LYS A 117 -9.563 12.309 -10.318 1.00 0.00 N ATOM 0 H LYS A 117 -7.245 9.913 -5.817 1.00 0.00 H new ATOM 0 HA LYS A 117 -6.864 11.068 -8.509 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -6.663 12.458 -5.818 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -6.785 13.202 -7.400 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -9.008 11.407 -6.446 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -8.892 13.037 -5.815 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -10.212 13.454 -7.658 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -8.635 13.677 -8.390 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -8.858 11.024 -8.788 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -10.567 11.398 -8.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -9.773 11.519 -10.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -10.277 13.055 -10.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -8.621 12.692 -10.536 1.00 0.00 H new ATOM 1829 N LYS A 118 -4.625 10.287 -6.286 1.00 0.00 N ATOM 1830 CA LYS A 118 -3.195 10.130 -6.050 1.00 0.00 C ATOM 1831 C LYS A 118 -2.524 11.486 -5.853 1.00 0.00 C ATOM 1832 O LYS A 118 -1.564 11.820 -6.548 1.00 0.00 O ATOM 1833 CB LYS A 118 -2.541 9.391 -7.219 1.00 0.00 C ATOM 1834 CG LYS A 118 -2.509 7.882 -7.043 1.00 0.00 C ATOM 1835 CD LYS A 118 -1.838 7.198 -8.222 1.00 0.00 C ATOM 1836 CE LYS A 118 -2.130 5.705 -8.240 1.00 0.00 C ATOM 1837 NZ LYS A 118 -3.376 5.393 -8.994 1.00 0.00 N ATOM 0 H LYS A 118 -5.219 9.824 -5.598 1.00 0.00 H new ATOM 0 HA LYS A 118 -3.065 9.544 -5.140 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -3.079 9.630 -8.136 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -1.521 9.756 -7.344 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -1.976 7.633 -6.125 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -3.526 7.506 -6.933 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -2.185 7.649 -9.152 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -0.761 7.359 -8.173 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -1.290 5.176 -8.691 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -2.224 5.341 -7.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -3.540 4.366 -8.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -4.182 5.877 -8.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -3.277 5.718 -9.977 1.00 0.00 H new ATOM 1851 N ARG A 119 -3.034 12.261 -4.902 1.00 0.00 N ATOM 1852 CA ARG A 119 -2.484 13.580 -4.615 1.00 0.00 C ATOM 1853 C ARG A 119 -1.024 13.478 -4.181 1.00 0.00 C ATOM 1854 O ARG A 119 -0.120 13.883 -4.911 1.00 0.00 O ATOM 1855 CB ARG A 119 -3.304 14.272 -3.524 1.00 0.00 C ATOM 1856 CG ARG A 119 -3.218 15.789 -3.566 1.00 0.00 C ATOM 1857 CD ARG A 119 -4.493 16.434 -3.046 1.00 0.00 C ATOM 1858 NE ARG A 119 -4.384 17.889 -2.985 1.00 0.00 N ATOM 1859 CZ ARG A 119 -3.690 18.536 -2.055 1.00 0.00 C ATOM 1860 NH1 ARG A 119 -3.046 17.859 -1.114 1.00 0.00 N ATOM 1861 NH2 ARG A 119 -3.638 19.861 -2.066 1.00 0.00 N ATOM 0 H ARG A 119 -3.827 11.998 -4.317 1.00 0.00 H new ATOM 0 HA ARG A 119 -2.533 14.173 -5.528 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -4.348 13.973 -3.621 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -2.962 13.924 -2.549 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -2.370 16.123 -2.968 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -3.035 16.116 -4.590 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -5.327 16.160 -3.691 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -4.717 16.045 -2.053 1.00 0.00 H new ATOM 0 HE ARG A 119 -4.867 18.439 -3.695 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -3.083 16.840 -1.103 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -2.514 18.358 -0.401 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -4.131 20.385 -2.789 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -3.105 20.356 -1.351 1.00 0.00 H new ATOM 1875 N TRP A 120 -0.804 12.934 -2.989 1.00 0.00 N ATOM 1876 CA TRP A 120 0.546 12.779 -2.458 1.00 0.00 C ATOM 1877 C TRP A 120 1.176 11.479 -2.946 1.00 0.00 C ATOM 1878 O TRP A 120 1.863 10.790 -2.191 1.00 0.00 O ATOM 1879 CB TRP A 120 0.520 12.806 -0.929 1.00 0.00 C ATOM 1880 CG TRP A 120 -0.416 13.833 -0.369 1.00 0.00 C ATOM 1881 CD1 TRP A 120 -0.112 15.121 -0.030 1.00 0.00 C ATOM 1882 CD2 TRP A 120 -1.807 13.658 -0.081 1.00 0.00 C ATOM 1883 NE1 TRP A 120 -1.231 15.756 0.452 1.00 0.00 N ATOM 1884 CE2 TRP A 120 -2.284 14.881 0.430 1.00 0.00 C ATOM 1885 CE3 TRP A 120 -2.697 12.588 -0.206 1.00 0.00 C ATOM 1886 CZ2 TRP A 120 -3.610 15.060 0.815 1.00 0.00 C ATOM 1887 CZ3 TRP A 120 -4.013 12.767 0.177 1.00 0.00 C ATOM 1888 CH2 TRP A 120 -4.460 13.995 0.681 1.00 0.00 C ATOM 0 H TRP A 120 -1.542 12.593 -2.373 1.00 0.00 H new ATOM 0 HA TRP A 120 1.150 13.611 -2.819 1.00 0.00 H new ATOM 0 HB2 TRP A 120 0.231 11.822 -0.560 1.00 0.00 H new ATOM 0 HB3 TRP A 120 1.526 13.002 -0.559 1.00 0.00 H new ATOM 0 HD1 TRP A 120 0.864 15.573 -0.127 1.00 0.00 H new ATOM 0 HE1 TRP A 120 -1.271 16.723 0.774 1.00 0.00 H new ATOM 0 HE3 TRP A 120 -2.362 11.638 -0.595 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 -3.956 16.006 1.206 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 -4.709 11.946 0.086 1.00 0.00 H new ATOM 0 HH2 TRP A 120 -5.495 14.104 0.969 1.00 0.00 H new ATOM 1899 N TYR A 121 0.939 11.150 -4.211 1.00 0.00 N ATOM 1900 CA TYR A 121 1.483 9.931 -4.798 1.00 0.00 C ATOM 1901 C TYR A 121 2.926 10.139 -5.248 1.00 0.00 C ATOM 1902 O TYR A 121 3.188 10.838 -6.227 1.00 0.00 O ATOM 1903 CB TYR A 121 0.626 9.485 -5.984 1.00 0.00 C ATOM 1904 CG TYR A 121 1.263 8.394 -6.815 1.00 0.00 C ATOM 1905 CD1 TYR A 121 1.750 7.236 -6.222 1.00 0.00 C ATOM 1906 CD2 TYR A 121 1.378 8.522 -8.194 1.00 0.00 C ATOM 1907 CE1 TYR A 121 2.334 6.237 -6.977 1.00 0.00 C ATOM 1908 CE2 TYR A 121 1.959 7.528 -8.957 1.00 0.00 C ATOM 1909 CZ TYR A 121 2.436 6.388 -8.345 1.00 0.00 C ATOM 1910 OH TYR A 121 3.015 5.395 -9.101 1.00 0.00 O ATOM 0 H TYR A 121 0.374 11.710 -4.849 1.00 0.00 H new ATOM 0 HA TYR A 121 1.469 9.153 -4.035 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -0.337 9.133 -5.614 1.00 0.00 H new ATOM 0 HB3 TYR A 121 0.427 10.346 -6.622 1.00 0.00 H new ATOM 0 HD1 TYR A 121 1.671 7.114 -5.152 1.00 0.00 H new ATOM 0 HD2 TYR A 121 1.007 9.414 -8.677 1.00 0.00 H new ATOM 0 HE1 TYR A 121 2.708 5.344 -6.500 1.00 0.00 H new ATOM 0 HE2 TYR A 121 2.039 7.643 -10.028 1.00 0.00 H new ATOM 0 HH TYR A 121 3.008 5.657 -10.045 1.00 0.00 H new ATOM 1920 N VAL A 122 3.859 9.527 -4.525 1.00 0.00 N ATOM 1921 CA VAL A 122 5.275 9.642 -4.850 1.00 0.00 C ATOM 1922 C VAL A 122 5.980 8.296 -4.725 1.00 0.00 C ATOM 1923 O VAL A 122 6.250 7.809 -3.627 1.00 0.00 O ATOM 1924 CB VAL A 122 5.978 10.664 -3.937 1.00 0.00 C ATOM 1925 CG1 VAL A 122 7.461 10.743 -4.266 1.00 0.00 C ATOM 1926 CG2 VAL A 122 5.323 12.031 -4.063 1.00 0.00 C ATOM 0 H VAL A 122 3.659 8.947 -3.710 1.00 0.00 H new ATOM 0 HA VAL A 122 5.336 9.985 -5.883 1.00 0.00 H new ATOM 0 HB VAL A 122 5.876 10.331 -2.904 1.00 0.00 H new ATOM 0 HG11 VAL A 122 7.941 11.470 -3.611 1.00 0.00 H new ATOM 0 HG12 VAL A 122 7.919 9.765 -4.119 1.00 0.00 H new ATOM 0 HG13 VAL A 122 7.588 11.051 -5.304 1.00 0.00 H new ATOM 0 HG21 VAL A 122 5.833 12.740 -3.411 1.00 0.00 H new ATOM 0 HG22 VAL A 122 5.391 12.373 -5.096 1.00 0.00 H new ATOM 0 HG23 VAL A 122 4.275 11.960 -3.773 1.00 0.00 H new ATOM 1936 N PRO A 123 6.285 7.679 -5.876 1.00 0.00 N ATOM 1937 CA PRO A 123 6.963 6.380 -5.922 1.00 0.00 C ATOM 1938 C PRO A 123 8.417 6.469 -5.470 1.00 0.00 C ATOM 1939 O PRO A 123 9.034 7.534 -5.489 1.00 0.00 O ATOM 1940 CB PRO A 123 6.886 5.992 -7.400 1.00 0.00 C ATOM 1941 CG PRO A 123 6.770 7.287 -8.127 1.00 0.00 C ATOM 1942 CD PRO A 123 5.992 8.202 -7.221 1.00 0.00 C ATOM 0 HA PRO A 123 6.501 5.655 -5.252 1.00 0.00 H new ATOM 0 HB2 PRO A 123 7.774 5.442 -7.711 1.00 0.00 H new ATOM 0 HB3 PRO A 123 6.028 5.350 -7.596 1.00 0.00 H new ATOM 0 HG2 PRO A 123 7.754 7.700 -8.347 1.00 0.00 H new ATOM 0 HG3 PRO A 123 6.259 7.155 -9.081 1.00 0.00 H new ATOM 0 HD2 PRO A 123 6.311 9.239 -7.327 1.00 0.00 H new ATOM 0 HD3 PRO A 123 4.925 8.172 -7.440 1.00 0.00 H new ATOM 1950 N PRO A 124 8.979 5.325 -5.053 1.00 0.00 N ATOM 1951 CA PRO A 124 10.367 5.248 -4.589 1.00 0.00 C ATOM 1952 C PRO A 124 11.369 5.441 -5.722 1.00 0.00 C ATOM 1953 O PRO A 124 12.498 5.874 -5.497 1.00 0.00 O ATOM 1954 CB PRO A 124 10.472 3.831 -4.018 1.00 0.00 C ATOM 1955 CG PRO A 124 9.425 3.054 -4.738 1.00 0.00 C ATOM 1956 CD PRO A 124 8.302 4.018 -5.002 1.00 0.00 C ATOM 0 HA PRO A 124 10.599 6.032 -3.868 1.00 0.00 H new ATOM 0 HB2 PRO A 124 11.463 3.409 -4.185 1.00 0.00 H new ATOM 0 HB3 PRO A 124 10.300 3.824 -2.942 1.00 0.00 H new ATOM 0 HG2 PRO A 124 9.815 2.644 -5.670 1.00 0.00 H new ATOM 0 HG3 PRO A 124 9.083 2.211 -4.138 1.00 0.00 H new ATOM 0 HD2 PRO A 124 7.791 3.793 -5.938 1.00 0.00 H new ATOM 0 HD3 PRO A 124 7.550 3.985 -4.213 1.00 0.00 H new ATOM 1964 N GLU A 125 10.947 5.116 -6.940 1.00 0.00 N ATOM 1965 CA GLU A 125 11.808 5.254 -8.109 1.00 0.00 C ATOM 1966 C GLU A 125 12.580 6.570 -8.063 1.00 0.00 C ATOM 1967 O GLU A 125 13.733 6.639 -8.489 1.00 0.00 O ATOM 1968 CB GLU A 125 10.980 5.181 -9.393 1.00 0.00 C ATOM 1969 CG GLU A 125 10.727 3.762 -9.874 1.00 0.00 C ATOM 1970 CD GLU A 125 11.965 3.118 -10.467 1.00 0.00 C ATOM 1971 OE1 GLU A 125 13.084 3.513 -10.077 1.00 0.00 O ATOM 1972 OE2 GLU A 125 11.815 2.219 -11.321 1.00 0.00 O ATOM 0 H GLU A 125 10.015 4.756 -7.143 1.00 0.00 H new ATOM 0 HA GLU A 125 12.523 4.432 -8.100 1.00 0.00 H new ATOM 0 HB2 GLU A 125 10.023 5.675 -9.227 1.00 0.00 H new ATOM 0 HB3 GLU A 125 11.493 5.736 -10.178 1.00 0.00 H new ATOM 0 HG2 GLU A 125 10.372 3.157 -9.040 1.00 0.00 H new ATOM 0 HG3 GLU A 125 9.934 3.772 -10.621 1.00 0.00 H new ATOM 1979 N GLN A 126 11.936 7.610 -7.543 1.00 0.00 N ATOM 1980 CA GLN A 126 12.561 8.923 -7.443 1.00 0.00 C ATOM 1981 C GLN A 126 13.375 9.042 -6.159 1.00 0.00 C ATOM 1982 O GLN A 126 14.390 9.736 -6.119 1.00 0.00 O ATOM 1983 CB GLN A 126 11.498 10.022 -7.491 1.00 0.00 C ATOM 1984 CG GLN A 126 10.734 10.187 -6.187 1.00 0.00 C ATOM 1985 CD GLN A 126 11.484 11.030 -5.174 1.00 0.00 C ATOM 1986 OE1 GLN A 126 12.444 11.722 -5.514 1.00 0.00 O ATOM 1987 NE2 GLN A 126 11.048 10.977 -3.921 1.00 0.00 N ATOM 0 H GLN A 126 10.982 7.568 -7.185 1.00 0.00 H new ATOM 0 HA GLN A 126 13.235 9.042 -8.291 1.00 0.00 H new ATOM 0 HB2 GLN A 126 11.977 10.968 -7.744 1.00 0.00 H new ATOM 0 HB3 GLN A 126 10.792 9.798 -8.290 1.00 0.00 H new ATOM 0 HG2 GLN A 126 9.767 10.647 -6.392 1.00 0.00 H new ATOM 0 HG3 GLN A 126 10.535 9.204 -5.760 1.00 0.00 H new ATOM 0 HE21 GLN A 126 10.248 10.390 -3.684 1.00 0.00 H new ATOM 0 HE22 GLN A 126 11.513 11.524 -3.196 1.00 0.00 H new ATOM 1996 N ALA A 127 12.922 8.360 -5.112 1.00 0.00 N ATOM 1997 CA ALA A 127 13.610 8.388 -3.827 1.00 0.00 C ATOM 1998 C ALA A 127 14.986 7.739 -3.926 1.00 0.00 C ATOM 1999 O ALA A 127 15.207 6.851 -4.750 1.00 0.00 O ATOM 2000 CB ALA A 127 12.771 7.693 -2.765 1.00 0.00 C ATOM 0 H ALA A 127 12.082 7.782 -5.128 1.00 0.00 H new ATOM 0 HA ALA A 127 13.750 9.430 -3.540 1.00 0.00 H new ATOM 0 HB1 ALA A 127 13.296 7.721 -1.810 1.00 0.00 H new ATOM 0 HB2 ALA A 127 11.813 8.203 -2.667 1.00 0.00 H new ATOM 0 HB3 ALA A 127 12.602 6.656 -3.056 1.00 0.00 H new ATOM 2006 N LYS A 128 15.909 8.188 -3.083 1.00 0.00 N ATOM 2007 CA LYS A 128 17.265 7.651 -3.075 1.00 0.00 C ATOM 2008 C LYS A 128 17.862 7.661 -4.478 1.00 0.00 C ATOM 2009 O LYS A 128 18.529 6.710 -4.885 1.00 0.00 O ATOM 2010 CB LYS A 128 17.267 6.226 -2.518 1.00 0.00 C ATOM 2011 CG LYS A 128 18.637 5.753 -2.064 1.00 0.00 C ATOM 2012 CD LYS A 128 18.643 4.262 -1.770 1.00 0.00 C ATOM 2013 CE LYS A 128 18.135 3.968 -0.367 1.00 0.00 C ATOM 2014 NZ LYS A 128 16.649 3.875 -0.324 1.00 0.00 N ATOM 0 H LYS A 128 15.743 8.923 -2.396 1.00 0.00 H new ATOM 0 HA LYS A 128 17.877 8.286 -2.435 1.00 0.00 H new ATOM 0 HB2 LYS A 128 16.576 6.173 -1.677 1.00 0.00 H new ATOM 0 HB3 LYS A 128 16.892 5.545 -3.282 1.00 0.00 H new ATOM 0 HG2 LYS A 128 19.374 5.976 -2.836 1.00 0.00 H new ATOM 0 HG3 LYS A 128 18.935 6.302 -1.171 1.00 0.00 H new ATOM 0 HD2 LYS A 128 18.020 3.744 -2.499 1.00 0.00 H new ATOM 0 HD3 LYS A 128 19.655 3.872 -1.881 1.00 0.00 H new ATOM 0 HE2 LYS A 128 18.568 3.033 -0.012 1.00 0.00 H new ATOM 0 HE3 LYS A 128 18.470 4.752 0.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 16.276 4.585 0.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 16.263 4.050 -1.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 16.370 2.925 -0.006 1.00 0.00 H new ATOM 2028 N SER A 129 17.621 8.743 -5.212 1.00 0.00 N ATOM 2029 CA SER A 129 18.133 8.875 -6.570 1.00 0.00 C ATOM 2030 C SER A 129 19.639 9.122 -6.561 1.00 0.00 C ATOM 2031 O SER A 129 20.142 9.930 -5.782 1.00 0.00 O ATOM 2032 CB SER A 129 17.422 10.018 -7.298 1.00 0.00 C ATOM 2033 OG SER A 129 17.941 10.192 -8.605 1.00 0.00 O ATOM 0 H SER A 129 17.074 9.541 -4.888 1.00 0.00 H new ATOM 0 HA SER A 129 17.938 7.941 -7.097 1.00 0.00 H new ATOM 0 HB2 SER A 129 16.354 9.810 -7.353 1.00 0.00 H new ATOM 0 HB3 SER A 129 17.538 10.942 -6.731 1.00 0.00 H new ATOM 0 HG SER A 129 17.469 10.927 -9.049 1.00 0.00 H new ATOM 2039 N GLY A 130 20.353 8.418 -7.435 1.00 0.00 N ATOM 2040 CA GLY A 130 21.794 8.574 -7.512 1.00 0.00 C ATOM 2041 C GLY A 130 22.406 7.762 -8.636 1.00 0.00 C ATOM 2042 O GLY A 130 21.750 6.920 -9.250 1.00 0.00 O ATOM 0 H GLY A 130 19.959 7.743 -8.091 1.00 0.00 H new ATOM 0 HA2 GLY A 130 22.035 9.627 -7.656 1.00 0.00 H new ATOM 0 HA3 GLY A 130 22.240 8.271 -6.565 1.00 0.00 H new ATOM 2046 N PRO A 131 23.692 8.014 -8.921 1.00 0.00 N ATOM 2047 CA PRO A 131 24.420 7.311 -9.981 1.00 0.00 C ATOM 2048 C PRO A 131 24.682 5.849 -9.633 1.00 0.00 C ATOM 2049 O PRO A 131 25.178 5.084 -10.460 1.00 0.00 O ATOM 2050 CB PRO A 131 25.739 8.082 -10.077 1.00 0.00 C ATOM 2051 CG PRO A 131 25.918 8.695 -8.731 1.00 0.00 C ATOM 2052 CD PRO A 131 24.534 9.004 -8.230 1.00 0.00 C ATOM 0 HA PRO A 131 23.857 7.285 -10.914 1.00 0.00 H new ATOM 0 HB2 PRO A 131 26.568 7.419 -10.323 1.00 0.00 H new ATOM 0 HB3 PRO A 131 25.697 8.843 -10.856 1.00 0.00 H new ATOM 0 HG2 PRO A 131 26.434 8.012 -8.056 1.00 0.00 H new ATOM 0 HG3 PRO A 131 26.522 9.600 -8.791 1.00 0.00 H new ATOM 0 HD2 PRO A 131 24.467 8.902 -7.147 1.00 0.00 H new ATOM 0 HD3 PRO A 131 24.237 10.024 -8.474 1.00 0.00 H new ATOM 2060 N SER A 132 24.345 5.468 -8.406 1.00 0.00 N ATOM 2061 CA SER A 132 24.546 4.098 -7.948 1.00 0.00 C ATOM 2062 C SER A 132 23.249 3.300 -8.035 1.00 0.00 C ATOM 2063 O SER A 132 22.894 2.569 -7.110 1.00 0.00 O ATOM 2064 CB SER A 132 25.068 4.090 -6.510 1.00 0.00 C ATOM 2065 OG SER A 132 26.209 4.919 -6.376 1.00 0.00 O ATOM 0 H SER A 132 23.931 6.089 -7.710 1.00 0.00 H new ATOM 0 HA SER A 132 25.285 3.629 -8.598 1.00 0.00 H new ATOM 0 HB2 SER A 132 24.285 4.432 -5.834 1.00 0.00 H new ATOM 0 HB3 SER A 132 25.319 3.071 -6.217 1.00 0.00 H new ATOM 0 HG SER A 132 26.522 4.898 -5.447 1.00 0.00 H new ATOM 2071 N SER A 133 22.546 3.445 -9.153 1.00 0.00 N ATOM 2072 CA SER A 133 21.286 2.741 -9.361 1.00 0.00 C ATOM 2073 C SER A 133 21.303 1.975 -10.681 1.00 0.00 C ATOM 2074 O SER A 133 21.484 2.559 -11.748 1.00 0.00 O ATOM 2075 CB SER A 133 20.118 3.728 -9.346 1.00 0.00 C ATOM 2076 OG SER A 133 18.901 3.074 -9.029 1.00 0.00 O ATOM 0 H SER A 133 22.827 4.044 -9.929 1.00 0.00 H new ATOM 0 HA SER A 133 21.159 2.026 -8.548 1.00 0.00 H new ATOM 0 HB2 SER A 133 20.312 4.515 -8.617 1.00 0.00 H new ATOM 0 HB3 SER A 133 20.033 4.210 -10.320 1.00 0.00 H new ATOM 0 HG SER A 133 18.170 3.727 -9.024 1.00 0.00 H new ATOM 2082 N GLY A 134 21.113 0.662 -10.598 1.00 0.00 N ATOM 2083 CA GLY A 134 21.110 -0.164 -11.791 1.00 0.00 C ATOM 2084 C GLY A 134 19.711 -0.569 -12.212 1.00 0.00 C ATOM 2085 O GLY A 134 18.819 -0.611 -11.366 1.00 0.00 O ATOM 0 H GLY A 134 20.961 0.156 -9.726 1.00 0.00 H new ATOM 0 HA2 GLY A 134 21.589 0.379 -12.606 1.00 0.00 H new ATOM 0 HA3 GLY A 134 21.705 -1.059 -11.611 1.00 0.00 H new TER 2089 GLY A 134 HETATM 2090 ZN ZN A 401 -9.879 0.650 8.495 1.00 0.00 ZN