USER MOD reduce.3.24.130724 H: found=0, std=0, add=1012, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1013 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 5 LYS NZ :NH3+ -119:sc= 0.772 (180deg=-0.0193) USER MOD Set 1.2: A 88 ASN : amide:sc= -2.31! C(o=-0.85!,f=-3.7!) USER MOD Set 1.3: A 90 TYR OH : rot 30:sc= 0.683 USER MOD Set 2.1: A 57 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 67 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 3.2: A 40 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 14 HIS : no HE2:sc= -0.524 K(o=-2.4,f=-5.3) USER MOD Set 4.2: A 107 ASN : amide:sc= -1.84 K(o=-2.4,f=-5.4!) USER MOD Set 5.1: A 10 SER OG : rot -39:sc= -1.3 USER MOD Set 5.2: A 106 LYS NZ :NH3+ 143:sc= -6.92! (180deg=-9.02!) USER MOD Single : A 3 LYS NZ :NH3+ 162:sc= -0.0335 (180deg=-0.309) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot 52:sc= -3.6! USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 HIS : no HE2:sc= 0.53 K(o=0.53,f=-4.3!) USER MOD Single : A 36 GLN : amide:sc= -1.83 X(o=-1.8,f=-1.8!) USER MOD Single : A 43 SER OG : rot 102:sc= 0.216 USER MOD Single : A 48 TYR OH : rot -149:sc= 1.14 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot -139:sc= 0.532 USER MOD Single : A 52 THR OG1 : rot 94:sc= -0.371 USER MOD Single : A 54 THR OG1 : rot 138:sc= 1.18 USER MOD Single : A 56 GLN : amide:sc= -17.9! C(o=-18!,f=-18!) USER MOD Single : A 60 MET CE :methyl -117:sc= -5.39 (180deg=-8.85!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -118:sc= 0.631 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= 0.167 K(o=0.17,f=-8!) USER MOD Single : A 76 CYS SG : rot -88:sc= 0.247 USER MOD Single : A 85 ASN : amide:sc= 0.0855 X(o=0.086,f=-0.082) USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 171:sc= 1.08 USER MOD Single : A 93 LYS NZ :NH3+ -167:sc= -0.0336 (180deg=-0.238) USER MOD Single : A 94 LYS NZ :NH3+ -166:sc= 1.23 (180deg=1.12) USER MOD Single : A 95 HIS : no HE2:sc= -1.26 K(o=-1.3,f=-4.5!) USER MOD Single : A 98 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00975) USER MOD Single : A 99 ASN : amide:sc= -0.617 X(o=-0.62,f=-0.3) USER MOD Single : A 105 LYS NZ :NH3+ -166:sc=-0.00569 (180deg=-0.153) USER MOD Single : A 109 SER OG : rot 180:sc= -0.0497 USER MOD Single : A 110 CYS SG : rot 15:sc= -10.9! USER MOD Single : A 111 LYS NZ :NH3+ -156:sc= -0.286 (180deg=-1.03) USER MOD Single : A 116 THR OG1 : rot -108:sc= 1.32 USER MOD Single : A 117 HIS : no HD1:sc= -0.458 X(o=-0.46,f=0.016) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 GLN : amide:sc= -0.117 X(o=-0.12,f=-0.34) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 46 N LYS A 3 12.606 -4.923 7.945 1.00 0.93 N ATOM 47 CA LYS A 3 12.634 -3.507 7.612 1.00 0.96 C ATOM 48 C LYS A 3 11.244 -3.090 7.203 1.00 0.78 C ATOM 49 O LYS A 3 10.357 -3.939 7.088 1.00 1.17 O ATOM 50 CB LYS A 3 13.615 -3.194 6.462 1.00 1.91 C ATOM 51 CG LYS A 3 15.087 -3.307 6.826 1.00 2.62 C ATOM 52 CD LYS A 3 15.984 -2.891 5.672 1.00 3.43 C ATOM 53 CE LYS A 3 15.975 -1.386 5.456 1.00 4.25 C ATOM 54 NZ LYS A 3 16.571 -0.657 6.610 1.00 4.81 N ATOM 0 HA LYS A 3 12.974 -2.957 8.489 1.00 0.96 H new ATOM 0 HB2 LYS A 3 13.408 -3.871 5.633 1.00 1.91 H new ATOM 0 HB3 LYS A 3 13.421 -2.183 6.104 1.00 1.91 H new ATOM 0 HG2 LYS A 3 15.297 -2.682 7.694 1.00 2.62 H new ATOM 0 HG3 LYS A 3 15.314 -4.334 7.111 1.00 2.62 H new ATOM 0 HD2 LYS A 3 17.004 -3.223 5.868 1.00 3.43 H new ATOM 0 HD3 LYS A 3 15.656 -3.390 4.760 1.00 3.43 H new ATOM 0 HE2 LYS A 3 16.530 -1.146 4.549 1.00 4.25 H new ATOM 0 HE3 LYS A 3 14.950 -1.047 5.302 1.00 4.25 H new ATOM 0 HZ1 LYS A 3 16.827 0.307 6.317 1.00 4.81 H new ATOM 0 HZ2 LYS A 3 15.880 -0.611 7.386 1.00 4.81 H new ATOM 0 HZ3 LYS A 3 17.423 -1.158 6.935 1.00 4.81 H new ATOM 68 N PRO A 4 11.021 -1.785 7.011 1.00 0.45 N ATOM 69 CA PRO A 4 9.817 -1.286 6.377 1.00 0.41 C ATOM 70 C PRO A 4 9.419 -2.128 5.163 1.00 0.39 C ATOM 71 O PRO A 4 10.251 -2.503 4.334 1.00 0.53 O ATOM 72 CB PRO A 4 10.185 0.141 5.959 1.00 0.59 C ATOM 73 CG PRO A 4 11.580 0.385 6.448 1.00 0.72 C ATOM 74 CD PRO A 4 11.888 -0.690 7.445 1.00 0.80 C ATOM 0 HA PRO A 4 8.956 -1.325 7.045 1.00 0.41 H new ATOM 0 HB2 PRO A 4 10.129 0.254 4.876 1.00 0.59 H new ATOM 0 HB3 PRO A 4 9.491 0.862 6.391 1.00 0.59 H new ATOM 0 HG2 PRO A 4 12.289 0.358 5.621 1.00 0.72 H new ATOM 0 HG3 PRO A 4 11.661 1.371 6.906 1.00 0.72 H new ATOM 0 HD2 PRO A 4 12.940 -0.973 7.424 1.00 0.80 H new ATOM 0 HD3 PRO A 4 11.663 -0.374 8.464 1.00 0.80 H new ATOM 82 N LYS A 5 8.143 -2.422 5.096 1.00 0.38 N ATOM 83 CA LYS A 5 7.577 -3.313 4.094 1.00 0.38 C ATOM 84 C LYS A 5 7.362 -2.613 2.745 1.00 0.35 C ATOM 85 O LYS A 5 7.074 -1.419 2.678 1.00 0.40 O ATOM 86 CB LYS A 5 6.262 -3.884 4.648 1.00 0.44 C ATOM 87 CG LYS A 5 5.363 -4.570 3.629 1.00 1.16 C ATOM 88 CD LYS A 5 4.195 -3.675 3.240 1.00 1.64 C ATOM 89 CE LYS A 5 3.199 -4.404 2.354 1.00 2.57 C ATOM 90 NZ LYS A 5 1.983 -3.587 2.092 1.00 3.33 N ATOM 0 H LYS A 5 7.451 -2.046 5.744 1.00 0.38 H new ATOM 0 HA LYS A 5 8.281 -4.121 3.897 1.00 0.38 H new ATOM 0 HB2 LYS A 5 6.500 -4.599 5.436 1.00 0.44 H new ATOM 0 HB3 LYS A 5 5.702 -3.073 5.113 1.00 0.44 H new ATOM 0 HG2 LYS A 5 5.942 -4.824 2.741 1.00 1.16 H new ATOM 0 HG3 LYS A 5 4.987 -5.506 4.043 1.00 1.16 H new ATOM 0 HD2 LYS A 5 3.691 -3.322 4.140 1.00 1.64 H new ATOM 0 HD3 LYS A 5 4.569 -2.794 2.718 1.00 1.64 H new ATOM 0 HE2 LYS A 5 3.675 -4.659 1.407 1.00 2.57 H new ATOM 0 HE3 LYS A 5 2.910 -5.342 2.829 1.00 2.57 H new ATOM 0 HZ1 LYS A 5 1.146 -4.082 2.461 1.00 3.33 H new ATOM 0 HZ2 LYS A 5 2.076 -2.665 2.564 1.00 3.33 H new ATOM 0 HZ3 LYS A 5 1.876 -3.443 1.068 1.00 3.33 H new ATOM 104 N LEU A 6 7.498 -3.396 1.683 1.00 0.35 N ATOM 105 CA LEU A 6 7.341 -2.927 0.307 1.00 0.37 C ATOM 106 C LEU A 6 5.941 -3.276 -0.183 1.00 0.37 C ATOM 107 O LEU A 6 5.398 -4.329 0.171 1.00 0.46 O ATOM 108 CB LEU A 6 8.394 -3.631 -0.574 1.00 0.51 C ATOM 109 CG LEU A 6 8.701 -3.043 -1.968 1.00 0.64 C ATOM 110 CD1 LEU A 6 9.892 -3.770 -2.552 1.00 1.24 C ATOM 111 CD2 LEU A 6 7.532 -3.176 -2.940 1.00 1.49 C ATOM 0 H LEU A 6 7.723 -4.388 1.751 1.00 0.35 H new ATOM 0 HA LEU A 6 7.479 -1.847 0.255 1.00 0.37 H new ATOM 0 HB2 LEU A 6 9.329 -3.661 -0.014 1.00 0.51 H new ATOM 0 HB3 LEU A 6 8.073 -4.663 -0.713 1.00 0.51 H new ATOM 0 HG LEU A 6 8.900 -1.980 -1.833 1.00 0.64 H new ATOM 0 HD11 LEU A 6 10.119 -3.363 -3.538 1.00 1.24 H new ATOM 0 HD12 LEU A 6 10.754 -3.640 -1.898 1.00 1.24 H new ATOM 0 HD13 LEU A 6 9.662 -4.832 -2.642 1.00 1.24 H new ATOM 0 HD21 LEU A 6 7.808 -2.745 -3.902 1.00 1.49 H new ATOM 0 HD22 LEU A 6 7.286 -4.230 -3.072 1.00 1.49 H new ATOM 0 HD23 LEU A 6 6.665 -2.648 -2.541 1.00 1.49 H new ATOM 123 N LEU A 7 5.364 -2.414 -1.006 1.00 0.36 N ATOM 124 CA LEU A 7 4.083 -2.719 -1.630 1.00 0.39 C ATOM 125 C LEU A 7 4.303 -3.346 -2.994 1.00 0.41 C ATOM 126 O LEU A 7 4.498 -2.653 -3.990 1.00 0.58 O ATOM 127 CB LEU A 7 3.219 -1.464 -1.785 1.00 0.55 C ATOM 128 CG LEU A 7 1.946 -1.651 -2.627 1.00 0.59 C ATOM 129 CD1 LEU A 7 0.728 -1.150 -1.864 1.00 1.53 C ATOM 130 CD2 LEU A 7 2.079 -0.918 -3.950 1.00 1.25 C ATOM 0 H LEU A 7 5.756 -1.506 -1.256 1.00 0.36 H new ATOM 0 HA LEU A 7 3.560 -3.419 -0.979 1.00 0.39 H new ATOM 0 HB2 LEU A 7 2.932 -1.114 -0.793 1.00 0.55 H new ATOM 0 HB3 LEU A 7 3.824 -0.678 -2.238 1.00 0.55 H new ATOM 0 HG LEU A 7 1.815 -2.714 -2.829 1.00 0.59 H new ATOM 0 HD11 LEU A 7 -0.165 -1.289 -2.473 1.00 1.53 H new ATOM 0 HD12 LEU A 7 0.625 -1.711 -0.935 1.00 1.53 H new ATOM 0 HD13 LEU A 7 0.851 -0.091 -1.637 1.00 1.53 H new ATOM 0 HD21 LEU A 7 1.171 -1.058 -4.537 1.00 1.25 H new ATOM 0 HD22 LEU A 7 2.230 0.145 -3.763 1.00 1.25 H new ATOM 0 HD23 LEU A 7 2.932 -1.314 -4.501 1.00 1.25 H new ATOM 142 N TYR A 8 4.329 -4.663 -3.033 1.00 0.50 N ATOM 143 CA TYR A 8 4.370 -5.367 -4.299 1.00 0.71 C ATOM 144 C TYR A 8 2.975 -5.924 -4.652 1.00 0.44 C ATOM 145 O TYR A 8 2.631 -7.022 -4.253 1.00 0.73 O ATOM 146 CB TYR A 8 5.394 -6.514 -4.157 1.00 1.29 C ATOM 147 CG TYR A 8 5.738 -7.257 -5.432 1.00 1.60 C ATOM 148 CD1 TYR A 8 4.976 -8.338 -5.862 1.00 1.84 C ATOM 149 CD2 TYR A 8 6.833 -6.881 -6.200 1.00 2.21 C ATOM 150 CE1 TYR A 8 5.293 -9.016 -7.022 1.00 2.43 C ATOM 151 CE2 TYR A 8 7.157 -7.556 -7.362 1.00 2.93 C ATOM 152 CZ TYR A 8 6.384 -8.622 -7.769 1.00 2.96 C ATOM 153 OH TYR A 8 6.692 -9.290 -8.931 1.00 3.74 O ATOM 0 H TYR A 8 4.323 -5.264 -2.209 1.00 0.50 H new ATOM 0 HA TYR A 8 4.664 -4.692 -5.103 1.00 0.71 H new ATOM 0 HB2 TYR A 8 6.314 -6.104 -3.739 1.00 1.29 H new ATOM 0 HB3 TYR A 8 5.008 -7.232 -3.434 1.00 1.29 H new ATOM 0 HD1 TYR A 8 4.123 -8.652 -5.279 1.00 1.84 H new ATOM 0 HD2 TYR A 8 7.442 -6.047 -5.884 1.00 2.21 H new ATOM 0 HE1 TYR A 8 4.689 -9.852 -7.344 1.00 2.43 H new ATOM 0 HE2 TYR A 8 8.011 -7.250 -7.948 1.00 2.93 H new ATOM 0 HH TYR A 8 7.488 -8.888 -9.338 1.00 3.74 H new ATOM 163 N CYS A 9 2.188 -5.177 -5.442 1.00 0.63 N ATOM 164 CA CYS A 9 0.926 -5.702 -5.996 1.00 0.75 C ATOM 165 C CYS A 9 0.877 -5.498 -7.515 1.00 1.05 C ATOM 166 O CYS A 9 0.518 -4.434 -8.004 1.00 1.99 O ATOM 167 CB CYS A 9 -0.267 -5.039 -5.324 1.00 1.57 C ATOM 168 SG CYS A 9 -1.857 -5.537 -6.010 1.00 2.64 S ATOM 0 H CYS A 9 2.399 -4.216 -5.711 1.00 0.63 H new ATOM 0 HA CYS A 9 0.880 -6.772 -5.795 1.00 0.75 H new ATOM 0 HB2 CYS A 9 -0.251 -5.275 -4.260 1.00 1.57 H new ATOM 0 HB3 CYS A 9 -0.167 -3.957 -5.412 1.00 1.57 H new ATOM 0 HG CYS A 9 -1.935 -6.835 -6.027 1.00 2.64 H new ATOM 174 N SER A 10 1.301 -6.499 -8.238 1.00 0.83 N ATOM 175 CA SER A 10 1.452 -6.403 -9.678 1.00 1.29 C ATOM 176 C SER A 10 0.874 -7.560 -10.471 1.00 0.84 C ATOM 177 O SER A 10 0.746 -8.680 -9.982 1.00 1.34 O ATOM 178 CB SER A 10 2.914 -6.252 -10.052 1.00 2.36 C ATOM 179 OG SER A 10 3.322 -4.902 -9.966 1.00 3.16 O ATOM 0 H SER A 10 1.554 -7.409 -7.852 1.00 0.83 H new ATOM 0 HA SER A 10 0.872 -5.520 -9.948 1.00 1.29 H new ATOM 0 HB2 SER A 10 3.527 -6.864 -9.390 1.00 2.36 H new ATOM 0 HB3 SER A 10 3.074 -6.620 -11.066 1.00 2.36 H new ATOM 0 HG SER A 10 2.605 -4.322 -10.297 1.00 3.16 H new ATOM 185 N ASN A 11 0.520 -7.240 -11.698 1.00 1.45 N ATOM 186 CA ASN A 11 0.965 -8.058 -12.810 1.00 1.79 C ATOM 187 C ASN A 11 2.383 -7.525 -13.017 1.00 1.40 C ATOM 188 O ASN A 11 2.571 -6.315 -12.879 1.00 1.83 O ATOM 189 CB ASN A 11 0.091 -7.853 -14.049 1.00 2.89 C ATOM 190 CG ASN A 11 0.431 -8.829 -15.158 1.00 3.45 C ATOM 191 OD1 ASN A 11 1.290 -8.565 -15.997 1.00 3.71 O ATOM 192 ND2 ASN A 11 -0.249 -9.965 -15.169 1.00 4.02 N ATOM 0 H ASN A 11 -0.060 -6.440 -11.949 1.00 1.45 H new ATOM 0 HA ASN A 11 0.914 -9.131 -12.627 1.00 1.79 H new ATOM 0 HB2 ASN A 11 -0.958 -7.968 -13.775 1.00 2.89 H new ATOM 0 HB3 ASN A 11 0.215 -6.833 -14.414 1.00 2.89 H new ATOM 0 HD21 ASN A 11 -0.068 -10.661 -15.893 1.00 4.02 H new ATOM 0 HD22 ASN A 11 -0.954 -10.145 -14.454 1.00 4.02 H new ATOM 199 N GLY A 12 3.358 -8.342 -13.417 1.00 1.41 N ATOM 200 CA GLY A 12 4.726 -8.150 -12.903 1.00 1.36 C ATOM 201 C GLY A 12 5.292 -6.759 -13.143 1.00 1.49 C ATOM 202 O GLY A 12 5.527 -6.346 -14.278 1.00 2.34 O ATOM 0 H GLY A 12 3.241 -9.117 -14.070 1.00 1.41 H new ATOM 0 HA2 GLY A 12 4.732 -8.353 -11.832 1.00 1.36 H new ATOM 0 HA3 GLY A 12 5.384 -8.883 -13.370 1.00 1.36 H new ATOM 206 N GLY A 13 5.527 -6.056 -12.016 1.00 0.97 N ATOM 207 CA GLY A 13 5.665 -4.644 -11.989 1.00 1.26 C ATOM 208 C GLY A 13 6.792 -4.173 -11.097 1.00 0.84 C ATOM 209 O GLY A 13 7.757 -4.884 -10.819 1.00 0.89 O ATOM 0 H GLY A 13 5.623 -6.492 -11.099 1.00 0.97 H new ATOM 0 HA2 GLY A 13 5.837 -4.283 -13.003 1.00 1.26 H new ATOM 0 HA3 GLY A 13 4.730 -4.200 -11.647 1.00 1.26 H new ATOM 213 N HIS A 14 6.611 -2.956 -10.660 1.00 0.78 N ATOM 214 CA HIS A 14 7.625 -2.109 -10.079 1.00 0.61 C ATOM 215 C HIS A 14 7.223 -1.829 -8.641 1.00 0.61 C ATOM 216 O HIS A 14 6.062 -1.948 -8.313 1.00 0.92 O ATOM 217 CB HIS A 14 7.679 -0.786 -10.845 1.00 0.85 C ATOM 218 CG HIS A 14 8.004 -0.894 -12.301 1.00 0.75 C ATOM 219 ND1 HIS A 14 7.068 -0.740 -13.304 1.00 1.31 N ATOM 220 CD2 HIS A 14 9.182 -1.102 -12.920 1.00 1.07 C ATOM 221 CE1 HIS A 14 7.662 -0.853 -14.477 1.00 1.17 C ATOM 222 NE2 HIS A 14 8.944 -1.075 -14.270 1.00 0.95 N ATOM 0 H HIS A 14 5.700 -2.500 -10.701 1.00 0.78 H new ATOM 0 HA HIS A 14 8.601 -2.593 -10.124 1.00 0.61 H new ATOM 0 HB2 HIS A 14 6.715 -0.288 -10.742 1.00 0.85 H new ATOM 0 HB3 HIS A 14 8.422 -0.143 -10.372 1.00 0.85 H new ATOM 0 HD1 HIS A 14 6.073 -0.566 -13.161 1.00 1.31 H new ATOM 0 HD2 HIS A 14 10.137 -1.261 -12.442 1.00 1.07 H new ATOM 0 HE1 HIS A 14 7.180 -0.777 -15.441 1.00 1.17 H new ATOM 231 N PHE A 15 8.147 -1.395 -7.813 1.00 0.49 N ATOM 232 CA PHE A 15 7.907 -1.278 -6.388 1.00 0.45 C ATOM 233 C PHE A 15 7.407 0.119 -6.079 1.00 0.39 C ATOM 234 O PHE A 15 7.931 1.088 -6.625 1.00 0.41 O ATOM 235 CB PHE A 15 9.200 -1.562 -5.620 1.00 0.51 C ATOM 236 CG PHE A 15 9.925 -2.792 -6.096 1.00 0.83 C ATOM 237 CD1 PHE A 15 9.342 -4.044 -5.993 1.00 1.13 C ATOM 238 CD2 PHE A 15 11.188 -2.691 -6.652 1.00 1.15 C ATOM 239 CE1 PHE A 15 10.006 -5.172 -6.434 1.00 1.61 C ATOM 240 CE2 PHE A 15 11.857 -3.815 -7.097 1.00 1.62 C ATOM 241 CZ PHE A 15 11.265 -5.058 -6.986 1.00 1.82 C ATOM 0 H PHE A 15 9.083 -1.114 -8.105 1.00 0.49 H new ATOM 0 HA PHE A 15 7.154 -2.004 -6.081 1.00 0.45 H new ATOM 0 HB2 PHE A 15 9.863 -0.702 -5.711 1.00 0.51 H new ATOM 0 HB3 PHE A 15 8.967 -1.675 -4.561 1.00 0.51 H new ATOM 0 HD1 PHE A 15 8.356 -4.140 -5.563 1.00 1.13 H new ATOM 0 HD2 PHE A 15 11.657 -1.722 -6.739 1.00 1.15 H new ATOM 0 HE1 PHE A 15 9.540 -6.142 -6.347 1.00 1.61 H new ATOM 0 HE2 PHE A 15 12.842 -3.722 -7.531 1.00 1.62 H new ATOM 0 HZ PHE A 15 11.787 -5.939 -7.331 1.00 1.82 H new ATOM 251 N LEU A 16 6.445 0.235 -5.175 1.00 0.43 N ATOM 252 CA LEU A 16 5.782 1.507 -4.950 1.00 0.50 C ATOM 253 C LEU A 16 6.606 2.344 -3.988 1.00 0.48 C ATOM 254 O LEU A 16 6.824 1.980 -2.833 1.00 0.64 O ATOM 255 CB LEU A 16 4.404 1.262 -4.340 1.00 0.75 C ATOM 256 CG LEU A 16 3.341 2.316 -4.643 1.00 1.35 C ATOM 257 CD1 LEU A 16 2.738 2.078 -6.017 1.00 2.23 C ATOM 258 CD2 LEU A 16 2.259 2.307 -3.573 1.00 1.59 C ATOM 0 H LEU A 16 6.110 -0.531 -4.591 1.00 0.43 H new ATOM 0 HA LEU A 16 5.677 2.032 -5.900 1.00 0.50 H new ATOM 0 HB2 LEU A 16 4.040 0.296 -4.690 1.00 0.75 H new ATOM 0 HB3 LEU A 16 4.515 1.187 -3.258 1.00 0.75 H new ATOM 0 HG LEU A 16 3.815 3.297 -4.640 1.00 1.35 H new ATOM 0 HD11 LEU A 16 1.982 2.837 -6.219 1.00 2.23 H new ATOM 0 HD12 LEU A 16 3.521 2.136 -6.773 1.00 2.23 H new ATOM 0 HD13 LEU A 16 2.278 1.090 -6.046 1.00 2.23 H new ATOM 0 HD21 LEU A 16 1.511 3.064 -3.806 1.00 1.59 H new ATOM 0 HD22 LEU A 16 1.785 1.326 -3.543 1.00 1.59 H new ATOM 0 HD23 LEU A 16 2.705 2.524 -2.603 1.00 1.59 H new ATOM 270 N ARG A 17 7.073 3.461 -4.512 1.00 0.40 N ATOM 271 CA ARG A 17 8.068 4.288 -3.860 1.00 0.42 C ATOM 272 C ARG A 17 7.544 5.707 -3.848 1.00 0.35 C ATOM 273 O ARG A 17 6.737 6.062 -4.712 1.00 0.37 O ATOM 274 CB ARG A 17 9.405 4.169 -4.605 1.00 0.59 C ATOM 275 CG ARG A 17 9.690 5.261 -5.624 1.00 1.00 C ATOM 276 CD ARG A 17 11.035 5.024 -6.296 1.00 1.17 C ATOM 277 NE ARG A 17 11.545 6.218 -6.967 1.00 1.46 N ATOM 278 CZ ARG A 17 12.823 6.383 -7.322 1.00 1.93 C ATOM 279 NH1 ARG A 17 13.715 5.421 -7.090 1.00 2.43 N ATOM 280 NH2 ARG A 17 13.208 7.508 -7.907 1.00 2.61 N ATOM 0 H ARG A 17 6.767 3.824 -5.415 1.00 0.40 H new ATOM 0 HA ARG A 17 8.248 3.967 -2.834 1.00 0.42 H new ATOM 0 HB2 ARG A 17 10.210 4.164 -3.870 1.00 0.59 H new ATOM 0 HB3 ARG A 17 9.432 3.206 -5.115 1.00 0.59 H new ATOM 0 HG2 ARG A 17 8.900 5.281 -6.375 1.00 1.00 H new ATOM 0 HG3 ARG A 17 9.688 6.234 -5.133 1.00 1.00 H new ATOM 0 HD2 ARG A 17 11.757 4.695 -5.549 1.00 1.17 H new ATOM 0 HD3 ARG A 17 10.937 4.217 -7.022 1.00 1.17 H new ATOM 0 HE ARG A 17 10.887 6.969 -7.177 1.00 1.46 H new ATOM 0 HH11 ARG A 17 13.424 4.553 -6.639 1.00 2.43 H new ATOM 0 HH12 ARG A 17 14.689 5.552 -7.363 1.00 2.43 H new ATOM 0 HH21 ARG A 17 12.529 8.248 -8.086 1.00 2.61 H new ATOM 0 HH22 ARG A 17 14.183 7.634 -8.178 1.00 2.61 H new ATOM 294 N ILE A 18 7.955 6.525 -2.897 1.00 0.33 N ATOM 295 CA ILE A 18 7.390 7.842 -2.820 1.00 0.31 C ATOM 296 C ILE A 18 8.219 8.825 -3.613 1.00 0.32 C ATOM 297 O ILE A 18 9.452 8.769 -3.640 1.00 0.36 O ATOM 298 CB ILE A 18 7.280 8.356 -1.371 1.00 0.36 C ATOM 299 CG1 ILE A 18 8.623 8.894 -0.871 1.00 0.45 C ATOM 300 CG2 ILE A 18 6.789 7.244 -0.461 1.00 0.41 C ATOM 301 CD1 ILE A 18 8.509 9.792 0.340 1.00 0.91 C ATOM 0 H ILE A 18 8.657 6.303 -2.191 1.00 0.33 H new ATOM 0 HA ILE A 18 6.386 7.765 -3.237 1.00 0.31 H new ATOM 0 HB ILE A 18 6.562 9.176 -1.355 1.00 0.36 H new ATOM 0 HG12 ILE A 18 9.273 8.053 -0.628 1.00 0.45 H new ATOM 0 HG13 ILE A 18 9.105 9.447 -1.677 1.00 0.45 H new ATOM 0 HG21 ILE A 18 6.714 7.616 0.561 1.00 0.41 H new ATOM 0 HG22 ILE A 18 5.809 6.906 -0.796 1.00 0.41 H new ATOM 0 HG23 ILE A 18 7.491 6.411 -0.493 1.00 0.41 H new ATOM 0 HD11 ILE A 18 9.501 10.133 0.635 1.00 0.91 H new ATOM 0 HD12 ILE A 18 7.886 10.653 0.097 1.00 0.91 H new ATOM 0 HD13 ILE A 18 8.057 9.238 1.163 1.00 0.91 H new ATOM 313 N LEU A 19 7.513 9.672 -4.319 1.00 0.36 N ATOM 314 CA LEU A 19 8.103 10.814 -4.964 1.00 0.42 C ATOM 315 C LEU A 19 7.540 12.042 -4.278 1.00 0.41 C ATOM 316 O LEU A 19 6.321 12.191 -4.205 1.00 0.43 O ATOM 317 CB LEU A 19 7.791 10.834 -6.468 1.00 0.54 C ATOM 318 CG LEU A 19 8.468 9.739 -7.313 1.00 0.96 C ATOM 319 CD1 LEU A 19 7.873 8.368 -7.034 1.00 1.56 C ATOM 320 CD2 LEU A 19 8.354 10.068 -8.793 1.00 1.84 C ATOM 0 H LEU A 19 6.507 9.587 -4.462 1.00 0.36 H new ATOM 0 HA LEU A 19 9.189 10.782 -4.878 1.00 0.42 H new ATOM 0 HB2 LEU A 19 6.712 10.749 -6.596 1.00 0.54 H new ATOM 0 HB3 LEU A 19 8.083 11.805 -6.867 1.00 0.54 H new ATOM 0 HG LEU A 19 9.521 9.709 -7.033 1.00 0.96 H new ATOM 0 HD11 LEU A 19 8.376 7.621 -7.648 1.00 1.56 H new ATOM 0 HD12 LEU A 19 8.006 8.121 -5.981 1.00 1.56 H new ATOM 0 HD13 LEU A 19 6.809 8.378 -7.272 1.00 1.56 H new ATOM 0 HD21 LEU A 19 8.837 9.285 -9.378 1.00 1.84 H new ATOM 0 HD22 LEU A 19 7.302 10.132 -9.071 1.00 1.84 H new ATOM 0 HD23 LEU A 19 8.841 11.023 -8.992 1.00 1.84 H new ATOM 332 N PRO A 20 8.404 12.948 -3.800 1.00 0.54 N ATOM 333 CA PRO A 20 8.014 14.033 -2.876 1.00 0.67 C ATOM 334 C PRO A 20 7.223 15.144 -3.553 1.00 0.68 C ATOM 335 O PRO A 20 7.160 16.277 -3.076 1.00 0.84 O ATOM 336 CB PRO A 20 9.356 14.595 -2.412 1.00 0.89 C ATOM 337 CG PRO A 20 10.375 13.583 -2.810 1.00 0.96 C ATOM 338 CD PRO A 20 9.845 12.965 -4.064 1.00 0.70 C ATOM 0 HA PRO A 20 7.368 13.657 -2.082 1.00 0.67 H new ATOM 0 HB2 PRO A 20 9.559 15.559 -2.878 1.00 0.89 H new ATOM 0 HB3 PRO A 20 9.362 14.754 -1.334 1.00 0.89 H new ATOM 0 HG2 PRO A 20 11.346 14.048 -2.980 1.00 0.96 H new ATOM 0 HG3 PRO A 20 10.512 12.834 -2.030 1.00 0.96 H new ATOM 0 HD2 PRO A 20 10.093 13.554 -4.947 1.00 0.70 H new ATOM 0 HD3 PRO A 20 10.243 11.964 -4.227 1.00 0.70 H new ATOM 346 N ASP A 21 6.647 14.797 -4.676 1.00 0.62 N ATOM 347 CA ASP A 21 5.683 15.644 -5.362 1.00 0.78 C ATOM 348 C ASP A 21 4.270 15.273 -4.913 1.00 0.75 C ATOM 349 O ASP A 21 3.335 16.070 -5.016 1.00 0.99 O ATOM 350 CB ASP A 21 5.825 15.480 -6.879 1.00 0.94 C ATOM 351 CG ASP A 21 4.725 16.179 -7.657 1.00 1.51 C ATOM 352 OD1 ASP A 21 4.589 17.414 -7.519 1.00 1.71 O ATOM 353 OD2 ASP A 21 3.976 15.497 -8.388 1.00 2.30 O ATOM 0 H ASP A 21 6.830 13.913 -5.150 1.00 0.62 H new ATOM 0 HA ASP A 21 5.873 16.687 -5.110 1.00 0.78 H new ATOM 0 HB2 ASP A 21 6.791 15.875 -7.193 1.00 0.94 H new ATOM 0 HB3 ASP A 21 5.819 14.418 -7.126 1.00 0.94 H new ATOM 358 N GLY A 22 4.132 14.062 -4.385 1.00 0.59 N ATOM 359 CA GLY A 22 2.843 13.599 -3.914 1.00 0.72 C ATOM 360 C GLY A 22 2.392 12.327 -4.601 1.00 0.61 C ATOM 361 O GLY A 22 1.212 12.168 -4.907 1.00 0.81 O ATOM 0 H GLY A 22 4.893 13.392 -4.275 1.00 0.59 H new ATOM 0 HA2 GLY A 22 2.894 13.428 -2.839 1.00 0.72 H new ATOM 0 HA3 GLY A 22 2.099 14.379 -4.078 1.00 0.72 H new ATOM 365 N THR A 23 3.324 11.420 -4.855 1.00 0.43 N ATOM 366 CA THR A 23 3.017 10.179 -5.501 1.00 0.39 C ATOM 367 C THR A 23 3.566 9.018 -4.713 1.00 0.40 C ATOM 368 O THR A 23 4.644 9.123 -4.124 1.00 0.46 O ATOM 369 CB THR A 23 3.714 10.108 -6.848 1.00 0.44 C ATOM 370 OG1 THR A 23 4.142 11.421 -7.254 1.00 0.49 O ATOM 371 CG2 THR A 23 2.799 9.514 -7.896 1.00 0.59 C ATOM 0 H THR A 23 4.309 11.535 -4.615 1.00 0.43 H new ATOM 0 HA THR A 23 1.932 10.128 -5.592 1.00 0.39 H new ATOM 0 HB THR A 23 4.587 9.463 -6.748 1.00 0.44 H new ATOM 0 HG1 THR A 23 4.592 11.364 -8.123 1.00 0.49 H new ATOM 0 HG21 THR A 23 3.320 9.473 -8.853 1.00 0.59 H new ATOM 0 HG22 THR A 23 2.509 8.507 -7.597 1.00 0.59 H new ATOM 0 HG23 THR A 23 1.908 10.134 -7.994 1.00 0.59 H new ATOM 379 N VAL A 24 2.854 7.911 -4.710 1.00 0.47 N ATOM 380 CA VAL A 24 3.502 6.663 -4.407 1.00 0.56 C ATOM 381 C VAL A 24 3.224 5.690 -5.557 1.00 0.42 C ATOM 382 O VAL A 24 2.108 5.206 -5.765 1.00 0.50 O ATOM 383 CB VAL A 24 3.079 6.103 -3.032 1.00 0.91 C ATOM 384 CG1 VAL A 24 1.648 5.618 -3.056 1.00 0.97 C ATOM 385 CG2 VAL A 24 4.033 5.008 -2.583 1.00 1.61 C ATOM 0 H VAL A 24 1.855 7.853 -4.908 1.00 0.47 H new ATOM 0 HA VAL A 24 4.578 6.818 -4.323 1.00 0.56 H new ATOM 0 HB VAL A 24 3.133 6.912 -2.303 1.00 0.91 H new ATOM 0 HG11 VAL A 24 1.379 5.229 -2.074 1.00 0.97 H new ATOM 0 HG12 VAL A 24 0.987 6.446 -3.312 1.00 0.97 H new ATOM 0 HG13 VAL A 24 1.544 4.828 -3.800 1.00 0.97 H new ATOM 0 HG21 VAL A 24 3.718 4.626 -1.612 1.00 1.61 H new ATOM 0 HG22 VAL A 24 4.025 4.197 -3.312 1.00 1.61 H new ATOM 0 HG23 VAL A 24 5.041 5.414 -2.503 1.00 1.61 H new ATOM 395 N ASP A 25 4.238 5.501 -6.366 1.00 0.37 N ATOM 396 CA ASP A 25 4.125 4.693 -7.575 1.00 0.37 C ATOM 397 C ASP A 25 5.252 3.701 -7.699 1.00 0.39 C ATOM 398 O ASP A 25 6.318 3.882 -7.109 1.00 0.43 O ATOM 399 CB ASP A 25 4.051 5.587 -8.821 1.00 0.48 C ATOM 400 CG ASP A 25 5.319 6.371 -9.100 1.00 0.80 C ATOM 401 OD1 ASP A 25 6.284 5.789 -9.642 1.00 1.10 O ATOM 402 OD2 ASP A 25 5.340 7.587 -8.819 1.00 1.16 O ATOM 0 H ASP A 25 5.165 5.898 -6.214 1.00 0.37 H new ATOM 0 HA ASP A 25 3.199 4.124 -7.498 1.00 0.37 H new ATOM 0 HB2 ASP A 25 3.823 4.966 -9.687 1.00 0.48 H new ATOM 0 HB3 ASP A 25 3.223 6.286 -8.704 1.00 0.48 H new ATOM 407 N GLY A 26 5.012 2.637 -8.458 1.00 0.38 N ATOM 408 CA GLY A 26 6.042 1.678 -8.668 1.00 0.40 C ATOM 409 C GLY A 26 7.045 2.087 -9.718 1.00 0.42 C ATOM 410 O GLY A 26 6.716 2.555 -10.804 1.00 0.52 O ATOM 0 H GLY A 26 4.126 2.436 -8.921 1.00 0.38 H new ATOM 0 HA2 GLY A 26 6.564 1.506 -7.727 1.00 0.40 H new ATOM 0 HA3 GLY A 26 5.590 0.730 -8.959 1.00 0.40 H new ATOM 414 N THR A 27 8.272 1.848 -9.353 1.00 0.42 N ATOM 415 CA THR A 27 9.446 1.989 -10.169 1.00 0.50 C ATOM 416 C THR A 27 10.325 0.872 -9.695 1.00 0.54 C ATOM 417 O THR A 27 10.254 0.565 -8.503 1.00 0.56 O ATOM 418 CB THR A 27 10.119 3.346 -9.917 1.00 0.57 C ATOM 419 OG1 THR A 27 9.305 4.409 -10.434 1.00 0.67 O ATOM 420 CG2 THR A 27 11.502 3.396 -10.531 1.00 0.70 C ATOM 0 H THR A 27 8.495 1.527 -8.411 1.00 0.42 H new ATOM 0 HA THR A 27 9.234 1.948 -11.237 1.00 0.50 H new ATOM 0 HB THR A 27 10.226 3.473 -8.840 1.00 0.57 H new ATOM 0 HG1 THR A 27 9.744 5.269 -10.266 1.00 0.67 H new ATOM 0 HG21 THR A 27 11.952 4.369 -10.335 1.00 0.70 H new ATOM 0 HG22 THR A 27 12.123 2.614 -10.093 1.00 0.70 H new ATOM 0 HG23 THR A 27 11.428 3.240 -11.607 1.00 0.70 H new ATOM 428 N ARG A 28 11.121 0.194 -10.499 1.00 0.64 N ATOM 429 CA ARG A 28 11.834 -0.848 -9.822 1.00 0.71 C ATOM 430 C ARG A 28 13.104 -0.267 -9.259 1.00 0.65 C ATOM 431 O ARG A 28 14.075 0.018 -9.962 1.00 0.72 O ATOM 432 CB ARG A 28 12.112 -2.028 -10.741 1.00 0.91 C ATOM 433 CG ARG A 28 11.065 -3.124 -10.664 1.00 1.56 C ATOM 434 CD ARG A 28 11.483 -4.330 -11.483 1.00 1.84 C ATOM 435 NE ARG A 28 10.483 -5.394 -11.459 1.00 2.32 N ATOM 436 CZ ARG A 28 10.785 -6.690 -11.422 1.00 2.92 C ATOM 437 NH1 ARG A 28 12.046 -7.074 -11.269 1.00 3.18 N ATOM 438 NH2 ARG A 28 9.825 -7.599 -11.499 1.00 3.76 N ATOM 0 H ARG A 28 11.276 0.324 -11.499 1.00 0.64 H new ATOM 0 HA ARG A 28 11.222 -1.239 -9.009 1.00 0.71 H new ATOM 0 HB2 ARG A 28 12.174 -1.670 -11.768 1.00 0.91 H new ATOM 0 HB3 ARG A 28 13.085 -2.450 -10.491 1.00 0.91 H new ATOM 0 HG2 ARG A 28 10.917 -3.419 -9.625 1.00 1.56 H new ATOM 0 HG3 ARG A 28 10.109 -2.746 -11.028 1.00 1.56 H new ATOM 0 HD2 ARG A 28 11.658 -4.023 -12.514 1.00 1.84 H new ATOM 0 HD3 ARG A 28 12.428 -4.715 -11.101 1.00 1.84 H new ATOM 0 HE ARG A 28 9.498 -5.129 -11.471 1.00 2.32 H new ATOM 0 HH11 ARG A 28 12.784 -6.376 -11.180 1.00 3.18 H new ATOM 0 HH12 ARG A 28 12.277 -8.067 -11.241 1.00 3.18 H new ATOM 0 HH21 ARG A 28 8.852 -7.307 -11.587 1.00 3.76 H new ATOM 0 HH22 ARG A 28 10.059 -8.591 -11.470 1.00 3.76 H new ATOM 452 N ASP A 29 13.036 -0.096 -7.960 1.00 0.68 N ATOM 453 CA ASP A 29 14.150 0.276 -7.119 1.00 0.69 C ATOM 454 C ASP A 29 13.951 -0.325 -5.736 1.00 0.81 C ATOM 455 O ASP A 29 13.008 0.043 -5.053 1.00 1.48 O ATOM 456 CB ASP A 29 14.231 1.807 -7.031 1.00 1.04 C ATOM 457 CG ASP A 29 15.089 2.306 -5.885 1.00 1.58 C ATOM 458 OD1 ASP A 29 16.192 1.737 -5.680 1.00 1.84 O ATOM 459 OD2 ASP A 29 14.660 3.243 -5.178 1.00 2.20 O ATOM 0 H ASP A 29 12.168 -0.217 -7.439 1.00 0.68 H new ATOM 0 HA ASP A 29 15.082 -0.102 -7.541 1.00 0.69 H new ATOM 0 HB2 ASP A 29 14.630 2.196 -7.968 1.00 1.04 H new ATOM 0 HB3 ASP A 29 13.224 2.210 -6.922 1.00 1.04 H new ATOM 464 N ARG A 30 14.798 -1.231 -5.308 1.00 0.62 N ATOM 465 CA ARG A 30 14.779 -1.623 -3.908 1.00 0.91 C ATOM 466 C ARG A 30 16.183 -1.527 -3.361 1.00 1.03 C ATOM 467 O ARG A 30 16.524 -2.097 -2.324 1.00 1.18 O ATOM 468 CB ARG A 30 14.161 -3.013 -3.676 1.00 1.63 C ATOM 469 CG ARG A 30 15.039 -4.203 -4.042 1.00 2.20 C ATOM 470 CD ARG A 30 15.065 -4.465 -5.537 1.00 2.58 C ATOM 471 NE ARG A 30 15.486 -5.834 -5.824 1.00 3.27 N ATOM 472 CZ ARG A 30 16.477 -6.160 -6.651 1.00 3.80 C ATOM 473 NH1 ARG A 30 17.141 -5.220 -7.317 1.00 3.96 N ATOM 474 NH2 ARG A 30 16.802 -7.436 -6.814 1.00 4.57 N ATOM 0 H ARG A 30 15.493 -1.703 -5.886 1.00 0.62 H new ATOM 0 HA ARG A 30 14.128 -0.937 -3.367 1.00 0.91 H new ATOM 0 HB2 ARG A 30 13.889 -3.097 -2.624 1.00 1.63 H new ATOM 0 HB3 ARG A 30 13.237 -3.078 -4.250 1.00 1.63 H new ATOM 0 HG2 ARG A 30 16.055 -4.024 -3.690 1.00 2.20 H new ATOM 0 HG3 ARG A 30 14.675 -5.092 -3.526 1.00 2.20 H new ATOM 0 HD2 ARG A 30 14.075 -4.290 -5.957 1.00 2.58 H new ATOM 0 HD3 ARG A 30 15.745 -3.763 -6.020 1.00 2.58 H new ATOM 0 HE ARG A 30 14.987 -6.592 -5.359 1.00 3.27 H new ATOM 0 HH11 ARG A 30 16.893 -4.238 -7.197 1.00 3.96 H new ATOM 0 HH12 ARG A 30 17.899 -5.481 -7.948 1.00 3.96 H new ATOM 0 HH21 ARG A 30 16.294 -8.161 -6.307 1.00 4.57 H new ATOM 0 HH22 ARG A 30 17.560 -7.692 -7.446 1.00 4.57 H new ATOM 488 N SER A 31 16.987 -0.773 -4.083 1.00 1.72 N ATOM 489 CA SER A 31 18.371 -0.578 -3.741 1.00 2.60 C ATOM 490 C SER A 31 18.550 0.794 -3.106 1.00 2.41 C ATOM 491 O SER A 31 19.640 1.146 -2.654 1.00 2.90 O ATOM 492 CB SER A 31 19.219 -0.708 -4.999 1.00 3.49 C ATOM 493 OG SER A 31 18.838 -1.858 -5.740 1.00 4.00 O ATOM 0 H SER A 31 16.693 -0.279 -4.925 1.00 1.72 H new ATOM 0 HA SER A 31 18.690 -1.333 -3.023 1.00 2.60 H new ATOM 0 HB2 SER A 31 19.104 0.183 -5.616 1.00 3.49 H new ATOM 0 HB3 SER A 31 20.273 -0.775 -4.729 1.00 3.49 H new ATOM 0 HG SER A 31 19.391 -1.926 -6.546 1.00 4.00 H new ATOM 499 N ASP A 32 17.473 1.571 -3.078 1.00 1.76 N ATOM 500 CA ASP A 32 17.498 2.857 -2.426 1.00 1.59 C ATOM 501 C ASP A 32 16.485 2.842 -1.301 1.00 1.18 C ATOM 502 O ASP A 32 15.866 1.814 -1.024 1.00 1.25 O ATOM 503 CB ASP A 32 17.191 3.976 -3.421 1.00 1.59 C ATOM 504 CG ASP A 32 17.811 5.299 -3.016 1.00 1.92 C ATOM 505 OD1 ASP A 32 17.268 5.972 -2.117 1.00 2.37 O ATOM 506 OD2 ASP A 32 18.849 5.669 -3.600 1.00 2.08 O ATOM 0 H ASP A 32 16.578 1.326 -3.501 1.00 1.76 H new ATOM 0 HA ASP A 32 18.493 3.047 -2.022 1.00 1.59 H new ATOM 0 HB2 ASP A 32 17.559 3.692 -4.407 1.00 1.59 H new ATOM 0 HB3 ASP A 32 16.111 4.096 -3.507 1.00 1.59 H new ATOM 511 N GLN A 33 16.295 3.977 -0.681 1.00 1.02 N ATOM 512 CA GLN A 33 15.497 4.059 0.521 1.00 0.76 C ATOM 513 C GLN A 33 14.113 4.645 0.254 1.00 0.55 C ATOM 514 O GLN A 33 13.565 5.343 1.096 1.00 0.72 O ATOM 515 CB GLN A 33 16.248 4.893 1.553 1.00 1.03 C ATOM 516 CG GLN A 33 16.401 6.359 1.166 1.00 1.73 C ATOM 517 CD GLN A 33 17.032 7.192 2.261 1.00 2.18 C ATOM 518 OE1 GLN A 33 16.341 7.716 3.132 1.00 2.42 O ATOM 519 NE2 GLN A 33 18.347 7.333 2.215 1.00 2.92 N ATOM 0 H GLN A 33 16.685 4.867 -0.990 1.00 1.02 H new ATOM 0 HA GLN A 33 15.338 3.050 0.902 1.00 0.76 H new ATOM 0 HB2 GLN A 33 15.724 4.832 2.507 1.00 1.03 H new ATOM 0 HB3 GLN A 33 17.238 4.462 1.704 1.00 1.03 H new ATOM 0 HG2 GLN A 33 17.010 6.430 0.265 1.00 1.73 H new ATOM 0 HG3 GLN A 33 15.421 6.770 0.922 1.00 1.73 H new ATOM 0 HE21 GLN A 33 18.883 6.881 1.474 1.00 2.92 H new ATOM 0 HE22 GLN A 33 18.825 7.894 2.920 1.00 2.92 H new ATOM 528 N HIS A 34 13.527 4.336 -0.895 1.00 0.44 N ATOM 529 CA HIS A 34 12.280 4.975 -1.297 1.00 0.36 C ATOM 530 C HIS A 34 11.081 4.079 -1.030 1.00 0.32 C ATOM 531 O HIS A 34 9.971 4.560 -0.828 1.00 0.37 O ATOM 532 CB HIS A 34 12.316 5.318 -2.790 1.00 0.57 C ATOM 533 CG HIS A 34 13.427 6.236 -3.185 1.00 0.85 C ATOM 534 ND1 HIS A 34 14.404 5.887 -4.093 1.00 1.54 N ATOM 535 CD2 HIS A 34 13.696 7.508 -2.815 1.00 1.29 C ATOM 536 CE1 HIS A 34 15.221 6.910 -4.264 1.00 1.61 C ATOM 537 NE2 HIS A 34 14.814 7.906 -3.499 1.00 1.34 N ATOM 0 H HIS A 34 13.890 3.653 -1.560 1.00 0.44 H new ATOM 0 HA HIS A 34 12.178 5.885 -0.705 1.00 0.36 H new ATOM 0 HB2 HIS A 34 12.404 4.394 -3.361 1.00 0.57 H new ATOM 0 HB3 HIS A 34 11.367 5.775 -3.068 1.00 0.57 H new ATOM 0 HD1 HIS A 34 14.483 4.983 -4.558 1.00 1.54 H new ATOM 0 HD2 HIS A 34 13.133 8.101 -2.110 1.00 1.29 H new ATOM 0 HE1 HIS A 34 16.079 6.929 -4.920 1.00 1.61 H new ATOM 546 N ILE A 35 11.310 2.777 -1.040 1.00 0.38 N ATOM 547 CA ILE A 35 10.212 1.813 -1.086 1.00 0.45 C ATOM 548 C ILE A 35 9.747 1.364 0.299 1.00 0.46 C ATOM 549 O ILE A 35 9.020 0.371 0.419 1.00 0.63 O ATOM 550 CB ILE A 35 10.602 0.584 -1.948 1.00 0.63 C ATOM 551 CG1 ILE A 35 11.909 -0.070 -1.465 1.00 1.16 C ATOM 552 CG2 ILE A 35 10.750 1.003 -3.400 1.00 1.51 C ATOM 553 CD1 ILE A 35 11.734 -1.053 -0.327 1.00 2.04 C ATOM 0 H ILE A 35 12.240 2.359 -1.017 1.00 0.38 H new ATOM 0 HA ILE A 35 9.369 2.328 -1.547 1.00 0.45 H new ATOM 0 HB ILE A 35 9.805 -0.153 -1.849 1.00 0.63 H new ATOM 0 HG12 ILE A 35 12.375 -0.585 -2.305 1.00 1.16 H new ATOM 0 HG13 ILE A 35 12.598 0.714 -1.149 1.00 1.16 H new ATOM 0 HG21 ILE A 35 11.024 0.137 -4.002 1.00 1.51 H new ATOM 0 HG22 ILE A 35 9.805 1.411 -3.759 1.00 1.51 H new ATOM 0 HG23 ILE A 35 11.527 1.763 -3.482 1.00 1.51 H new ATOM 0 HD11 ILE A 35 12.704 -1.466 -0.050 1.00 2.04 H new ATOM 0 HD12 ILE A 35 11.299 -0.542 0.532 1.00 2.04 H new ATOM 0 HD13 ILE A 35 11.073 -1.860 -0.642 1.00 2.04 H new ATOM 565 N GLN A 36 10.129 2.100 1.338 1.00 0.38 N ATOM 566 CA GLN A 36 10.041 1.559 2.684 1.00 0.37 C ATOM 567 C GLN A 36 8.920 2.164 3.526 1.00 0.35 C ATOM 568 O GLN A 36 9.097 3.178 4.221 1.00 0.35 O ATOM 569 CB GLN A 36 11.373 1.787 3.378 1.00 0.43 C ATOM 570 CG GLN A 36 11.890 3.206 3.228 1.00 0.52 C ATOM 571 CD GLN A 36 13.215 3.396 3.918 1.00 0.71 C ATOM 572 OE1 GLN A 36 13.277 3.828 5.068 1.00 1.17 O ATOM 573 NE2 GLN A 36 14.279 3.028 3.227 1.00 1.29 N ATOM 0 H GLN A 36 10.494 3.050 1.275 1.00 0.38 H new ATOM 0 HA GLN A 36 9.806 0.499 2.589 1.00 0.37 H new ATOM 0 HB2 GLN A 36 11.267 1.556 4.438 1.00 0.43 H new ATOM 0 HB3 GLN A 36 12.110 1.094 2.972 1.00 0.43 H new ATOM 0 HG2 GLN A 36 11.994 3.445 2.170 1.00 0.52 H new ATOM 0 HG3 GLN A 36 11.162 3.904 3.642 1.00 0.52 H new ATOM 0 HE21 GLN A 36 14.173 2.676 2.276 1.00 1.29 H new ATOM 0 HE22 GLN A 36 15.207 3.096 3.645 1.00 1.29 H new ATOM 582 N LEU A 37 7.820 1.445 3.580 1.00 0.36 N ATOM 583 CA LEU A 37 6.709 1.816 4.425 1.00 0.35 C ATOM 584 C LEU A 37 6.551 0.791 5.512 1.00 0.37 C ATOM 585 O LEU A 37 6.495 -0.402 5.249 1.00 0.48 O ATOM 586 CB LEU A 37 5.408 1.947 3.635 1.00 0.38 C ATOM 587 CG LEU A 37 5.325 1.146 2.326 1.00 0.45 C ATOM 588 CD1 LEU A 37 3.879 0.843 1.972 1.00 0.94 C ATOM 589 CD2 LEU A 37 5.981 1.904 1.178 1.00 0.94 C ATOM 0 H LEU A 37 7.672 0.591 3.042 1.00 0.36 H new ATOM 0 HA LEU A 37 6.924 2.793 4.858 1.00 0.35 H new ATOM 0 HB2 LEU A 37 4.584 1.638 4.278 1.00 0.38 H new ATOM 0 HB3 LEU A 37 5.253 3.001 3.402 1.00 0.38 H new ATOM 0 HG LEU A 37 5.860 0.209 2.480 1.00 0.45 H new ATOM 0 HD11 LEU A 37 3.843 0.275 1.042 1.00 0.94 H new ATOM 0 HD12 LEU A 37 3.423 0.259 2.771 1.00 0.94 H new ATOM 0 HD13 LEU A 37 3.331 1.777 1.848 1.00 0.94 H new ATOM 0 HD21 LEU A 37 5.908 1.315 0.264 1.00 0.94 H new ATOM 0 HD22 LEU A 37 5.474 2.858 1.036 1.00 0.94 H new ATOM 0 HD23 LEU A 37 7.031 2.082 1.412 1.00 0.94 H new ATOM 601 N GLN A 38 6.442 1.245 6.729 1.00 0.34 N ATOM 602 CA GLN A 38 6.462 0.332 7.839 1.00 0.39 C ATOM 603 C GLN A 38 5.042 -0.135 8.123 1.00 0.40 C ATOM 604 O GLN A 38 4.183 0.629 8.562 1.00 0.41 O ATOM 605 CB GLN A 38 7.126 0.985 9.062 1.00 0.45 C ATOM 606 CG GLN A 38 6.374 2.165 9.655 1.00 0.93 C ATOM 607 CD GLN A 38 6.875 2.527 11.040 1.00 1.37 C ATOM 608 OE1 GLN A 38 7.800 3.325 11.193 1.00 2.05 O ATOM 609 NE2 GLN A 38 6.267 1.943 12.059 1.00 2.12 N ATOM 0 H GLN A 38 6.340 2.229 6.977 1.00 0.34 H new ATOM 0 HA GLN A 38 7.062 -0.545 7.595 1.00 0.39 H new ATOM 0 HB2 GLN A 38 7.249 0.227 9.836 1.00 0.45 H new ATOM 0 HB3 GLN A 38 8.125 1.317 8.779 1.00 0.45 H new ATOM 0 HG2 GLN A 38 6.477 3.027 8.996 1.00 0.93 H new ATOM 0 HG3 GLN A 38 5.311 1.928 9.706 1.00 0.93 H new ATOM 0 HE21 GLN A 38 5.504 1.287 11.890 1.00 2.12 H new ATOM 0 HE22 GLN A 38 6.561 2.148 13.014 1.00 2.12 H new ATOM 618 N LEU A 39 4.792 -1.397 7.802 1.00 0.43 N ATOM 619 CA LEU A 39 3.456 -1.944 7.888 1.00 0.46 C ATOM 620 C LEU A 39 3.212 -2.524 9.270 1.00 0.55 C ATOM 621 O LEU A 39 3.694 -3.605 9.602 1.00 0.77 O ATOM 622 CB LEU A 39 3.247 -3.030 6.829 1.00 0.61 C ATOM 623 CG LEU A 39 1.813 -3.552 6.725 1.00 1.05 C ATOM 624 CD1 LEU A 39 0.865 -2.435 6.314 1.00 1.75 C ATOM 625 CD2 LEU A 39 1.737 -4.712 5.745 1.00 1.45 C ATOM 0 H LEU A 39 5.500 -2.057 7.480 1.00 0.43 H new ATOM 0 HA LEU A 39 2.746 -1.137 7.708 1.00 0.46 H new ATOM 0 HB2 LEU A 39 3.547 -2.635 5.858 1.00 0.61 H new ATOM 0 HB3 LEU A 39 3.909 -3.867 7.051 1.00 0.61 H new ATOM 0 HG LEU A 39 1.506 -3.914 7.706 1.00 1.05 H new ATOM 0 HD11 LEU A 39 -0.150 -2.826 6.245 1.00 1.75 H new ATOM 0 HD12 LEU A 39 0.897 -1.638 7.057 1.00 1.75 H new ATOM 0 HD13 LEU A 39 1.168 -2.039 5.344 1.00 1.75 H new ATOM 0 HD21 LEU A 39 0.709 -5.070 5.684 1.00 1.45 H new ATOM 0 HD22 LEU A 39 2.064 -4.378 4.760 1.00 1.45 H new ATOM 0 HD23 LEU A 39 2.383 -5.520 6.087 1.00 1.45 H new ATOM 637 N SER A 40 2.488 -1.792 10.075 1.00 0.46 N ATOM 638 CA SER A 40 2.166 -2.242 11.411 1.00 0.56 C ATOM 639 C SER A 40 0.698 -2.614 11.516 1.00 0.42 C ATOM 640 O SER A 40 -0.106 -2.297 10.637 1.00 0.37 O ATOM 641 CB SER A 40 2.498 -1.136 12.412 1.00 0.71 C ATOM 642 OG SER A 40 3.840 -0.692 12.249 1.00 1.38 O ATOM 0 H SER A 40 2.107 -0.878 9.831 1.00 0.46 H new ATOM 0 HA SER A 40 2.758 -3.129 11.635 1.00 0.56 H new ATOM 0 HB2 SER A 40 1.814 -0.298 12.275 1.00 0.71 H new ATOM 0 HB3 SER A 40 2.353 -1.503 13.428 1.00 0.71 H new ATOM 0 HG SER A 40 4.031 0.017 12.898 1.00 1.38 H new ATOM 648 N ALA A 41 0.351 -3.265 12.616 1.00 0.56 N ATOM 649 CA ALA A 41 -1.033 -3.470 12.970 1.00 0.56 C ATOM 650 C ALA A 41 -1.277 -2.651 14.219 1.00 0.64 C ATOM 651 O ALA A 41 -0.923 -3.043 15.326 1.00 0.84 O ATOM 652 CB ALA A 41 -1.354 -4.936 13.209 1.00 0.89 C ATOM 0 H ALA A 41 1.018 -3.660 13.278 1.00 0.56 H new ATOM 0 HA ALA A 41 -1.683 -3.158 12.153 1.00 0.56 H new ATOM 0 HB1 ALA A 41 -2.407 -5.040 13.472 1.00 0.89 H new ATOM 0 HB2 ALA A 41 -1.149 -5.506 12.303 1.00 0.89 H new ATOM 0 HB3 ALA A 41 -0.737 -5.315 14.024 1.00 0.89 H new ATOM 658 N GLU A 42 -1.852 -1.490 13.996 1.00 0.92 N ATOM 659 CA GLU A 42 -1.808 -0.399 14.943 1.00 1.34 C ATOM 660 C GLU A 42 -3.027 -0.426 15.858 1.00 1.34 C ATOM 661 O GLU A 42 -2.910 -0.347 17.088 1.00 1.64 O ATOM 662 CB GLU A 42 -1.723 0.896 14.138 1.00 1.88 C ATOM 663 CG GLU A 42 -1.434 2.136 14.957 1.00 2.46 C ATOM 664 CD GLU A 42 -0.031 2.136 15.534 1.00 2.62 C ATOM 665 OE1 GLU A 42 0.917 2.513 14.820 1.00 3.12 O ATOM 666 OE2 GLU A 42 0.126 1.765 16.716 1.00 2.70 O ATOM 0 H GLU A 42 -2.369 -1.275 13.143 1.00 0.92 H new ATOM 0 HA GLU A 42 -0.939 -0.484 15.596 1.00 1.34 H new ATOM 0 HB2 GLU A 42 -0.945 0.787 13.383 1.00 1.88 H new ATOM 0 HB3 GLU A 42 -2.664 1.040 13.607 1.00 1.88 H new ATOM 0 HG2 GLU A 42 -1.567 3.019 14.332 1.00 2.46 H new ATOM 0 HG3 GLU A 42 -2.158 2.208 15.769 1.00 2.46 H new ATOM 673 N SER A 43 -4.202 -0.540 15.271 1.00 1.09 N ATOM 674 CA SER A 43 -5.389 -0.777 16.064 1.00 1.14 C ATOM 675 C SER A 43 -5.920 -2.142 15.700 1.00 1.00 C ATOM 676 O SER A 43 -5.608 -2.643 14.626 1.00 1.09 O ATOM 677 CB SER A 43 -6.422 0.319 15.848 1.00 1.24 C ATOM 678 OG SER A 43 -5.802 1.606 15.886 1.00 1.59 O ATOM 0 H SER A 43 -4.359 -0.474 14.265 1.00 1.09 H new ATOM 0 HA SER A 43 -5.149 -0.754 17.127 1.00 1.14 H new ATOM 0 HB2 SER A 43 -6.917 0.176 14.888 1.00 1.24 H new ATOM 0 HB3 SER A 43 -7.192 0.257 16.617 1.00 1.24 H new ATOM 0 HG SER A 43 -5.693 1.944 14.973 1.00 1.59 H new ATOM 684 N VAL A 44 -6.690 -2.759 16.573 1.00 0.92 N ATOM 685 CA VAL A 44 -7.148 -4.108 16.296 1.00 0.91 C ATOM 686 C VAL A 44 -7.954 -4.133 14.998 1.00 0.77 C ATOM 687 O VAL A 44 -8.948 -3.419 14.827 1.00 0.79 O ATOM 688 CB VAL A 44 -7.962 -4.704 17.466 1.00 1.07 C ATOM 689 CG1 VAL A 44 -9.199 -3.878 17.765 1.00 1.85 C ATOM 690 CG2 VAL A 44 -8.324 -6.148 17.176 1.00 1.83 C ATOM 0 H VAL A 44 -7.006 -2.363 17.458 1.00 0.92 H new ATOM 0 HA VAL A 44 -6.266 -4.738 16.178 1.00 0.91 H new ATOM 0 HB VAL A 44 -7.336 -4.678 18.358 1.00 1.07 H new ATOM 0 HG11 VAL A 44 -9.746 -4.328 18.594 1.00 1.85 H new ATOM 0 HG12 VAL A 44 -8.903 -2.864 18.034 1.00 1.85 H new ATOM 0 HG13 VAL A 44 -9.838 -3.847 16.883 1.00 1.85 H new ATOM 0 HG21 VAL A 44 -8.897 -6.554 18.010 1.00 1.83 H new ATOM 0 HG22 VAL A 44 -8.922 -6.197 16.266 1.00 1.83 H new ATOM 0 HG23 VAL A 44 -7.413 -6.732 17.044 1.00 1.83 H new ATOM 700 N GLY A 45 -7.452 -4.889 14.038 1.00 0.73 N ATOM 701 CA GLY A 45 -8.159 -5.066 12.789 1.00 0.67 C ATOM 702 C GLY A 45 -7.616 -4.181 11.688 1.00 0.54 C ATOM 703 O GLY A 45 -7.592 -4.575 10.519 1.00 0.56 O ATOM 0 H GLY A 45 -6.563 -5.386 14.101 1.00 0.73 H new ATOM 0 HA2 GLY A 45 -8.090 -6.109 12.480 1.00 0.67 H new ATOM 0 HA3 GLY A 45 -9.216 -4.847 12.939 1.00 0.67 H new ATOM 707 N GLU A 46 -7.173 -2.980 12.050 1.00 0.56 N ATOM 708 CA GLU A 46 -6.652 -2.054 11.063 1.00 0.50 C ATOM 709 C GLU A 46 -5.138 -2.140 10.937 1.00 0.40 C ATOM 710 O GLU A 46 -4.413 -2.306 11.920 1.00 0.48 O ATOM 711 CB GLU A 46 -7.096 -0.622 11.356 1.00 0.75 C ATOM 712 CG GLU A 46 -6.673 -0.100 12.706 1.00 1.02 C ATOM 713 CD GLU A 46 -7.088 1.342 12.934 1.00 1.35 C ATOM 714 OE1 GLU A 46 -8.298 1.596 13.110 1.00 1.80 O ATOM 715 OE2 GLU A 46 -6.203 2.219 12.971 1.00 1.67 O ATOM 0 H GLU A 46 -7.166 -2.633 13.009 1.00 0.56 H new ATOM 0 HA GLU A 46 -7.072 -2.349 10.102 1.00 0.50 H new ATOM 0 HB2 GLU A 46 -6.694 0.035 10.584 1.00 0.75 H new ATOM 0 HB3 GLU A 46 -8.182 -0.570 11.285 1.00 0.75 H new ATOM 0 HG2 GLU A 46 -7.108 -0.726 13.485 1.00 1.02 H new ATOM 0 HG3 GLU A 46 -5.590 -0.181 12.799 1.00 1.02 H new ATOM 722 N VAL A 47 -4.677 -2.044 9.704 1.00 0.33 N ATOM 723 CA VAL A 47 -3.262 -2.029 9.410 1.00 0.33 C ATOM 724 C VAL A 47 -2.858 -0.646 8.969 1.00 0.33 C ATOM 725 O VAL A 47 -3.602 0.042 8.268 1.00 0.36 O ATOM 726 CB VAL A 47 -2.838 -3.054 8.342 1.00 0.40 C ATOM 727 CG1 VAL A 47 -2.877 -4.462 8.909 1.00 0.46 C ATOM 728 CG2 VAL A 47 -3.715 -2.947 7.101 1.00 0.48 C ATOM 0 H VAL A 47 -5.275 -1.974 8.881 1.00 0.33 H new ATOM 0 HA VAL A 47 -2.750 -2.313 10.330 1.00 0.33 H new ATOM 0 HB VAL A 47 -1.813 -2.830 8.047 1.00 0.40 H new ATOM 0 HG11 VAL A 47 -2.574 -5.173 8.140 1.00 0.46 H new ATOM 0 HG12 VAL A 47 -2.195 -4.532 9.756 1.00 0.46 H new ATOM 0 HG13 VAL A 47 -3.890 -4.694 9.238 1.00 0.46 H new ATOM 0 HG21 VAL A 47 -3.393 -3.682 6.364 1.00 0.48 H new ATOM 0 HG22 VAL A 47 -4.754 -3.136 7.372 1.00 0.48 H new ATOM 0 HG23 VAL A 47 -3.626 -1.946 6.678 1.00 0.48 H new ATOM 738 N TYR A 48 -1.688 -0.235 9.383 1.00 0.34 N ATOM 739 CA TYR A 48 -1.278 1.131 9.184 1.00 0.36 C ATOM 740 C TYR A 48 -0.067 1.164 8.279 1.00 0.38 C ATOM 741 O TYR A 48 0.954 0.528 8.556 1.00 0.39 O ATOM 742 CB TYR A 48 -0.952 1.773 10.538 1.00 0.41 C ATOM 743 CG TYR A 48 -1.141 3.278 10.592 1.00 0.55 C ATOM 744 CD1 TYR A 48 -2.396 3.824 10.827 1.00 1.47 C ATOM 745 CD2 TYR A 48 -0.068 4.148 10.427 1.00 0.91 C ATOM 746 CE1 TYR A 48 -2.581 5.193 10.894 1.00 1.79 C ATOM 747 CE2 TYR A 48 -0.244 5.519 10.498 1.00 1.00 C ATOM 748 CZ TYR A 48 -1.502 6.036 10.731 1.00 1.23 C ATOM 749 OH TYR A 48 -1.684 7.400 10.808 1.00 1.60 O ATOM 0 H TYR A 48 -1.004 -0.824 9.858 1.00 0.34 H new ATOM 0 HA TYR A 48 -2.085 1.694 8.716 1.00 0.36 H new ATOM 0 HB2 TYR A 48 -1.580 1.315 11.302 1.00 0.41 H new ATOM 0 HB3 TYR A 48 0.082 1.542 10.794 1.00 0.41 H new ATOM 0 HD1 TYR A 48 -3.243 3.168 10.960 1.00 1.47 H new ATOM 0 HD2 TYR A 48 0.917 3.747 10.241 1.00 0.91 H new ATOM 0 HE1 TYR A 48 -3.565 5.600 11.073 1.00 1.79 H new ATOM 0 HE2 TYR A 48 0.600 6.181 10.372 1.00 1.00 H new ATOM 0 HH TYR A 48 -1.038 7.850 10.224 1.00 1.60 H new ATOM 759 N ILE A 49 -0.200 1.894 7.190 1.00 0.42 N ATOM 760 CA ILE A 49 0.894 2.091 6.271 1.00 0.44 C ATOM 761 C ILE A 49 1.563 3.398 6.609 1.00 0.42 C ATOM 762 O ILE A 49 1.017 4.483 6.395 1.00 0.52 O ATOM 763 CB ILE A 49 0.442 2.083 4.799 1.00 0.52 C ATOM 764 CG1 ILE A 49 -0.027 0.677 4.405 1.00 0.62 C ATOM 765 CG2 ILE A 49 1.575 2.552 3.895 1.00 0.58 C ATOM 766 CD1 ILE A 49 -0.282 0.500 2.924 1.00 1.20 C ATOM 0 H ILE A 49 -1.065 2.363 6.921 1.00 0.42 H new ATOM 0 HA ILE A 49 1.591 1.260 6.379 1.00 0.44 H new ATOM 0 HB ILE A 49 -0.393 2.773 4.678 1.00 0.52 H new ATOM 0 HG12 ILE A 49 0.724 -0.046 4.722 1.00 0.62 H new ATOM 0 HG13 ILE A 49 -0.942 0.446 4.950 1.00 0.62 H new ATOM 0 HG21 ILE A 49 1.241 2.541 2.858 1.00 0.58 H new ATOM 0 HG22 ILE A 49 1.866 3.565 4.172 1.00 0.58 H new ATOM 0 HG23 ILE A 49 2.430 1.886 4.008 1.00 0.58 H new ATOM 0 HD11 ILE A 49 -0.610 -0.521 2.731 1.00 1.20 H new ATOM 0 HD12 ILE A 49 -1.056 1.197 2.602 1.00 1.20 H new ATOM 0 HD13 ILE A 49 0.636 0.697 2.371 1.00 1.20 H new ATOM 778 N LYS A 50 2.730 3.276 7.181 1.00 0.36 N ATOM 779 CA LYS A 50 3.390 4.397 7.798 1.00 0.37 C ATOM 780 C LYS A 50 4.709 4.686 7.103 1.00 0.35 C ATOM 781 O LYS A 50 5.359 3.783 6.579 1.00 0.36 O ATOM 782 CB LYS A 50 3.597 4.068 9.278 1.00 0.44 C ATOM 783 CG LYS A 50 3.854 5.263 10.179 1.00 0.93 C ATOM 784 CD LYS A 50 3.774 4.852 11.641 1.00 0.88 C ATOM 785 CE LYS A 50 3.864 6.047 12.573 1.00 1.35 C ATOM 786 NZ LYS A 50 3.604 5.665 13.988 1.00 1.86 N ATOM 0 H LYS A 50 3.250 2.400 7.233 1.00 0.36 H new ATOM 0 HA LYS A 50 2.780 5.296 7.707 1.00 0.37 H new ATOM 0 HB2 LYS A 50 2.715 3.542 9.643 1.00 0.44 H new ATOM 0 HB3 LYS A 50 4.438 3.380 9.366 1.00 0.44 H new ATOM 0 HG2 LYS A 50 4.837 5.682 9.966 1.00 0.93 H new ATOM 0 HG3 LYS A 50 3.123 6.045 9.974 1.00 0.93 H new ATOM 0 HD2 LYS A 50 2.837 4.324 11.818 1.00 0.88 H new ATOM 0 HD3 LYS A 50 4.581 4.155 11.866 1.00 0.88 H new ATOM 0 HE2 LYS A 50 4.854 6.496 12.494 1.00 1.35 H new ATOM 0 HE3 LYS A 50 3.145 6.805 12.263 1.00 1.35 H new ATOM 0 HZ1 LYS A 50 3.674 6.508 14.594 1.00 1.86 H new ATOM 0 HZ2 LYS A 50 2.650 5.260 14.068 1.00 1.86 H new ATOM 0 HZ3 LYS A 50 4.306 4.961 14.292 1.00 1.86 H new ATOM 800 N SER A 51 5.098 5.945 7.109 1.00 0.40 N ATOM 801 CA SER A 51 6.338 6.364 6.535 1.00 0.39 C ATOM 802 C SER A 51 7.431 6.124 7.529 1.00 0.39 C ATOM 803 O SER A 51 7.350 6.552 8.682 1.00 0.48 O ATOM 804 CB SER A 51 6.257 7.867 6.228 1.00 0.48 C ATOM 805 OG SER A 51 7.397 8.327 5.528 1.00 1.10 O ATOM 0 H SER A 51 4.551 6.703 7.518 1.00 0.40 H new ATOM 0 HA SER A 51 6.539 5.809 5.619 1.00 0.39 H new ATOM 0 HB2 SER A 51 5.363 8.069 5.638 1.00 0.48 H new ATOM 0 HB3 SER A 51 6.155 8.423 7.160 1.00 0.48 H new ATOM 0 HG SER A 51 7.667 9.201 5.881 1.00 1.10 H new ATOM 811 N THR A 52 8.440 5.406 7.075 1.00 0.35 N ATOM 812 CA THR A 52 9.624 5.249 7.853 1.00 0.41 C ATOM 813 C THR A 52 10.419 6.527 7.684 1.00 0.45 C ATOM 814 O THR A 52 10.103 7.538 8.309 1.00 0.53 O ATOM 815 CB THR A 52 10.427 4.022 7.393 1.00 0.43 C ATOM 816 OG1 THR A 52 9.523 2.960 7.064 1.00 0.62 O ATOM 817 CG2 THR A 52 11.377 3.561 8.482 1.00 0.77 C ATOM 0 H THR A 52 8.451 4.929 6.173 1.00 0.35 H new ATOM 0 HA THR A 52 9.386 5.078 8.903 1.00 0.41 H new ATOM 0 HB THR A 52 11.014 4.297 6.516 1.00 0.43 H new ATOM 0 HG1 THR A 52 9.333 2.978 6.103 1.00 0.62 H new ATOM 0 HG21 THR A 52 11.935 2.692 8.134 1.00 0.77 H new ATOM 0 HG22 THR A 52 12.072 4.365 8.723 1.00 0.77 H new ATOM 0 HG23 THR A 52 10.808 3.294 9.373 1.00 0.77 H new ATOM 825 N GLU A 53 11.438 6.514 6.867 1.00 0.46 N ATOM 826 CA GLU A 53 12.065 7.776 6.513 1.00 0.53 C ATOM 827 C GLU A 53 11.413 8.331 5.248 1.00 0.44 C ATOM 828 O GLU A 53 11.055 9.506 5.161 1.00 0.47 O ATOM 829 CB GLU A 53 13.567 7.580 6.291 1.00 0.68 C ATOM 830 CG GLU A 53 14.343 8.882 6.173 1.00 1.43 C ATOM 831 CD GLU A 53 14.286 9.703 7.443 1.00 1.83 C ATOM 832 OE1 GLU A 53 15.067 9.416 8.376 1.00 2.11 O ATOM 833 OE2 GLU A 53 13.455 10.634 7.522 1.00 2.55 O ATOM 0 H GLU A 53 11.846 5.681 6.443 1.00 0.46 H new ATOM 0 HA GLU A 53 11.928 8.485 7.330 1.00 0.53 H new ATOM 0 HB2 GLU A 53 13.974 6.998 7.118 1.00 0.68 H new ATOM 0 HB3 GLU A 53 13.718 6.994 5.384 1.00 0.68 H new ATOM 0 HG2 GLU A 53 15.383 8.662 5.932 1.00 1.43 H new ATOM 0 HG3 GLU A 53 13.941 9.468 5.346 1.00 1.43 H new ATOM 840 N THR A 54 11.272 7.443 4.280 1.00 0.36 N ATOM 841 CA THR A 54 10.701 7.748 2.975 1.00 0.30 C ATOM 842 C THR A 54 9.366 7.027 2.735 1.00 0.31 C ATOM 843 O THR A 54 8.999 6.800 1.588 1.00 0.38 O ATOM 844 CB THR A 54 11.718 7.372 1.882 1.00 0.40 C ATOM 845 OG1 THR A 54 13.049 7.571 2.384 1.00 1.13 O ATOM 846 CG2 THR A 54 11.542 8.215 0.628 1.00 0.93 C ATOM 0 H THR A 54 11.556 6.468 4.379 1.00 0.36 H new ATOM 0 HA THR A 54 10.489 8.817 2.941 1.00 0.30 H new ATOM 0 HB THR A 54 11.550 6.327 1.620 1.00 0.40 H new ATOM 0 HG1 THR A 54 13.619 6.824 2.105 1.00 1.13 H new ATOM 0 HG21 THR A 54 12.279 7.917 -0.117 1.00 0.93 H new ATOM 0 HG22 THR A 54 10.540 8.065 0.227 1.00 0.93 H new ATOM 0 HG23 THR A 54 11.681 9.268 0.875 1.00 0.93 H new ATOM 854 N GLY A 55 8.650 6.619 3.782 1.00 0.33 N ATOM 855 CA GLY A 55 7.783 5.468 3.597 1.00 0.40 C ATOM 856 C GLY A 55 6.338 5.706 3.196 1.00 0.46 C ATOM 857 O GLY A 55 5.752 4.773 2.667 1.00 0.56 O ATOM 0 H GLY A 55 8.651 7.040 4.711 1.00 0.33 H new ATOM 0 HA2 GLY A 55 8.237 4.830 2.839 1.00 0.40 H new ATOM 0 HA3 GLY A 55 7.780 4.903 4.529 1.00 0.40 H new ATOM 861 N GLN A 56 5.770 6.901 3.432 1.00 0.43 N ATOM 862 CA GLN A 56 4.520 7.341 2.755 1.00 0.54 C ATOM 863 C GLN A 56 3.718 8.378 3.530 1.00 0.56 C ATOM 864 O GLN A 56 3.471 8.241 4.723 1.00 0.63 O ATOM 865 CB GLN A 56 3.551 6.191 2.452 1.00 0.81 C ATOM 866 CG GLN A 56 3.453 5.888 0.972 1.00 0.91 C ATOM 867 CD GLN A 56 3.096 7.124 0.185 1.00 1.20 C ATOM 868 OE1 GLN A 56 3.957 7.880 -0.230 1.00 2.18 O ATOM 869 NE2 GLN A 56 1.821 7.342 -0.030 1.00 1.06 N ATOM 0 H GLN A 56 6.151 7.586 4.085 1.00 0.43 H new ATOM 0 HA GLN A 56 4.903 7.779 1.833 1.00 0.54 H new ATOM 0 HB2 GLN A 56 3.878 5.296 2.982 1.00 0.81 H new ATOM 0 HB3 GLN A 56 2.562 6.444 2.834 1.00 0.81 H new ATOM 0 HG2 GLN A 56 4.403 5.489 0.616 1.00 0.91 H new ATOM 0 HG3 GLN A 56 2.701 5.117 0.805 1.00 0.91 H new ATOM 0 HE21 GLN A 56 1.124 6.690 0.331 1.00 1.06 H new ATOM 0 HE22 GLN A 56 1.526 8.163 -0.558 1.00 1.06 H new ATOM 878 N TYR A 57 3.247 9.382 2.803 1.00 0.57 N ATOM 879 CA TYR A 57 2.168 10.229 3.282 1.00 0.62 C ATOM 880 C TYR A 57 0.915 9.705 2.633 1.00 0.59 C ATOM 881 O TYR A 57 0.234 10.376 1.878 1.00 0.67 O ATOM 882 CB TYR A 57 2.440 11.743 3.007 1.00 0.76 C ATOM 883 CG TYR A 57 1.238 12.655 2.759 1.00 1.77 C ATOM 884 CD1 TYR A 57 0.398 13.024 3.808 1.00 2.17 C ATOM 885 CD2 TYR A 57 0.943 13.140 1.489 1.00 2.59 C ATOM 886 CE1 TYR A 57 -0.691 13.848 3.597 1.00 3.20 C ATOM 887 CE2 TYR A 57 -0.145 13.964 1.273 1.00 3.64 C ATOM 888 CZ TYR A 57 -0.946 14.319 2.285 1.00 3.91 C ATOM 889 OH TYR A 57 -2.042 15.138 2.118 1.00 4.98 O ATOM 0 H TYR A 57 3.597 9.629 1.877 1.00 0.57 H new ATOM 0 HA TYR A 57 2.070 10.185 4.367 1.00 0.62 H new ATOM 0 HB2 TYR A 57 2.993 12.143 3.857 1.00 0.76 H new ATOM 0 HB3 TYR A 57 3.096 11.812 2.139 1.00 0.76 H new ATOM 0 HD1 TYR A 57 0.602 12.659 4.804 1.00 2.17 H new ATOM 0 HD2 TYR A 57 1.576 12.868 0.657 1.00 2.59 H new ATOM 0 HE1 TYR A 57 -1.336 14.128 4.417 1.00 3.20 H new ATOM 0 HE2 TYR A 57 -0.351 14.326 0.277 1.00 3.64 H new ATOM 0 HH TYR A 57 -2.115 15.399 1.176 1.00 4.98 H new ATOM 899 N LEU A 58 0.600 8.469 2.943 1.00 0.55 N ATOM 900 CA LEU A 58 -0.393 7.787 2.161 1.00 0.58 C ATOM 901 C LEU A 58 -1.752 8.327 2.489 1.00 0.56 C ATOM 902 O LEU A 58 -2.173 8.402 3.637 1.00 0.72 O ATOM 903 CB LEU A 58 -0.332 6.278 2.345 1.00 0.70 C ATOM 904 CG LEU A 58 -0.347 5.518 1.021 1.00 1.32 C ATOM 905 CD1 LEU A 58 0.046 4.065 1.218 1.00 1.59 C ATOM 906 CD2 LEU A 58 -1.714 5.609 0.358 1.00 1.85 C ATOM 0 H LEU A 58 1.006 7.931 3.709 1.00 0.55 H new ATOM 0 HA LEU A 58 -0.184 7.974 1.108 1.00 0.58 H new ATOM 0 HB2 LEU A 58 0.572 6.020 2.896 1.00 0.70 H new ATOM 0 HB3 LEU A 58 -1.178 5.956 2.953 1.00 0.70 H new ATOM 0 HG LEU A 58 0.388 5.985 0.365 1.00 1.32 H new ATOM 0 HD11 LEU A 58 0.026 3.549 0.258 1.00 1.59 H new ATOM 0 HD12 LEU A 58 1.051 4.013 1.637 1.00 1.59 H new ATOM 0 HD13 LEU A 58 -0.657 3.587 1.901 1.00 1.59 H new ATOM 0 HD21 LEU A 58 -1.699 5.060 -0.583 1.00 1.85 H new ATOM 0 HD22 LEU A 58 -2.468 5.178 1.017 1.00 1.85 H new ATOM 0 HD23 LEU A 58 -1.956 6.654 0.165 1.00 1.85 H new ATOM 918 N ALA A 59 -2.387 8.770 1.444 1.00 0.47 N ATOM 919 CA ALA A 59 -3.592 9.524 1.545 1.00 0.46 C ATOM 920 C ALA A 59 -4.558 9.053 0.483 1.00 0.46 C ATOM 921 O ALA A 59 -4.341 9.275 -0.710 1.00 0.51 O ATOM 922 CB ALA A 59 -3.269 11.008 1.391 1.00 0.54 C ATOM 0 H ALA A 59 -2.074 8.613 0.486 1.00 0.47 H new ATOM 0 HA ALA A 59 -4.058 9.378 2.520 1.00 0.46 H new ATOM 0 HB1 ALA A 59 -4.187 11.590 1.467 1.00 0.54 H new ATOM 0 HB2 ALA A 59 -2.579 11.314 2.178 1.00 0.54 H new ATOM 0 HB3 ALA A 59 -2.810 11.181 0.418 1.00 0.54 H new ATOM 928 N MET A 60 -5.596 8.365 0.899 1.00 0.48 N ATOM 929 CA MET A 60 -6.627 7.977 -0.034 1.00 0.52 C ATOM 930 C MET A 60 -7.585 9.132 -0.203 1.00 0.55 C ATOM 931 O MET A 60 -8.175 9.603 0.768 1.00 0.74 O ATOM 932 CB MET A 60 -7.375 6.745 0.469 1.00 0.66 C ATOM 933 CG MET A 60 -6.566 5.468 0.384 1.00 1.76 C ATOM 934 SD MET A 60 -7.582 3.998 0.598 1.00 2.80 S ATOM 935 CE MET A 60 -8.690 4.145 -0.802 1.00 3.74 C ATOM 0 H MET A 60 -5.748 8.066 1.862 1.00 0.48 H new ATOM 0 HA MET A 60 -6.172 7.726 -0.992 1.00 0.52 H new ATOM 0 HB2 MET A 60 -7.672 6.909 1.505 1.00 0.66 H new ATOM 0 HB3 MET A 60 -8.290 6.624 -0.110 1.00 0.66 H new ATOM 0 HG2 MET A 60 -6.064 5.422 -0.583 1.00 1.76 H new ATOM 0 HG3 MET A 60 -5.787 5.483 1.147 1.00 1.76 H new ATOM 0 HE1 MET A 60 -9.714 4.259 -0.445 1.00 3.74 H new ATOM 0 HE2 MET A 60 -8.413 5.016 -1.395 1.00 3.74 H new ATOM 0 HE3 MET A 60 -8.619 3.249 -1.418 1.00 3.74 H new ATOM 945 N ASP A 61 -7.740 9.591 -1.435 1.00 0.51 N ATOM 946 CA ASP A 61 -8.457 10.825 -1.671 1.00 0.56 C ATOM 947 C ASP A 61 -9.794 10.503 -2.247 1.00 0.56 C ATOM 948 O ASP A 61 -9.904 9.947 -3.353 1.00 0.64 O ATOM 949 CB ASP A 61 -7.737 11.757 -2.618 1.00 0.71 C ATOM 950 CG ASP A 61 -8.143 13.200 -2.400 1.00 1.02 C ATOM 951 OD1 ASP A 61 -9.283 13.563 -2.748 1.00 1.34 O ATOM 952 OD2 ASP A 61 -7.319 13.985 -1.885 1.00 1.58 O ATOM 0 H ASP A 61 -7.383 9.132 -2.273 1.00 0.51 H new ATOM 0 HA ASP A 61 -8.542 11.336 -0.712 1.00 0.56 H new ATOM 0 HB2 ASP A 61 -6.661 11.657 -2.479 1.00 0.71 H new ATOM 0 HB3 ASP A 61 -7.954 11.469 -3.647 1.00 0.71 H new ATOM 957 N THR A 62 -10.789 10.844 -1.475 1.00 0.65 N ATOM 958 CA THR A 62 -12.140 10.446 -1.712 1.00 0.83 C ATOM 959 C THR A 62 -12.207 8.960 -1.434 1.00 0.87 C ATOM 960 O THR A 62 -12.795 8.544 -0.441 1.00 1.31 O ATOM 961 CB THR A 62 -12.578 10.769 -3.146 1.00 0.97 C ATOM 962 OG1 THR A 62 -12.329 12.156 -3.429 1.00 1.47 O ATOM 963 CG2 THR A 62 -14.047 10.461 -3.340 1.00 1.55 C ATOM 0 H THR A 62 -10.674 11.422 -0.642 1.00 0.65 H new ATOM 0 HA THR A 62 -12.824 10.993 -1.063 1.00 0.83 H new ATOM 0 HB THR A 62 -12.002 10.149 -3.833 1.00 0.97 H new ATOM 0 HG1 THR A 62 -12.608 12.358 -4.346 1.00 1.47 H new ATOM 0 HG21 THR A 62 -14.336 10.698 -4.364 1.00 1.55 H new ATOM 0 HG22 THR A 62 -14.225 9.403 -3.148 1.00 1.55 H new ATOM 0 HG23 THR A 62 -14.639 11.060 -2.648 1.00 1.55 H new ATOM 971 N ASP A 63 -11.511 8.210 -2.295 1.00 0.78 N ATOM 972 CA ASP A 63 -11.259 6.775 -2.125 1.00 0.88 C ATOM 973 C ASP A 63 -10.842 6.141 -3.461 1.00 0.87 C ATOM 974 O ASP A 63 -10.669 4.931 -3.562 1.00 0.96 O ATOM 975 CB ASP A 63 -12.514 6.107 -1.600 1.00 1.05 C ATOM 976 CG ASP A 63 -12.255 4.968 -0.638 1.00 1.19 C ATOM 977 OD1 ASP A 63 -11.777 3.911 -1.101 1.00 1.42 O ATOM 978 OD2 ASP A 63 -12.487 5.131 0.568 1.00 1.54 O ATOM 0 H ASP A 63 -11.099 8.591 -3.147 1.00 0.78 H new ATOM 0 HA ASP A 63 -10.446 6.636 -1.412 1.00 0.88 H new ATOM 0 HB2 ASP A 63 -13.129 6.856 -1.101 1.00 1.05 H new ATOM 0 HB3 ASP A 63 -13.092 5.730 -2.444 1.00 1.05 H new ATOM 983 N GLY A 64 -10.637 6.975 -4.480 1.00 0.82 N ATOM 984 CA GLY A 64 -10.466 6.471 -5.823 1.00 0.89 C ATOM 985 C GLY A 64 -9.033 6.521 -6.288 1.00 0.90 C ATOM 986 O GLY A 64 -8.529 5.583 -6.894 1.00 1.17 O ATOM 0 H GLY A 64 -10.587 7.990 -4.393 1.00 0.82 H new ATOM 0 HA2 GLY A 64 -10.822 5.442 -5.868 1.00 0.89 H new ATOM 0 HA3 GLY A 64 -11.085 7.053 -6.506 1.00 0.89 H new ATOM 990 N LEU A 65 -8.363 7.617 -6.028 1.00 0.72 N ATOM 991 CA LEU A 65 -6.964 7.722 -6.405 1.00 0.71 C ATOM 992 C LEU A 65 -6.136 7.945 -5.158 1.00 0.67 C ATOM 993 O LEU A 65 -6.517 8.725 -4.282 1.00 0.79 O ATOM 994 CB LEU A 65 -6.697 8.834 -7.424 1.00 0.74 C ATOM 995 CG LEU A 65 -7.568 8.849 -8.694 1.00 1.41 C ATOM 996 CD1 LEU A 65 -7.708 7.460 -9.303 1.00 2.03 C ATOM 997 CD2 LEU A 65 -8.934 9.466 -8.423 1.00 2.04 C ATOM 0 H LEU A 65 -8.750 8.439 -5.565 1.00 0.72 H new ATOM 0 HA LEU A 65 -6.682 6.789 -6.892 1.00 0.71 H new ATOM 0 HB2 LEU A 65 -6.820 9.792 -6.919 1.00 0.74 H new ATOM 0 HB3 LEU A 65 -5.653 8.767 -7.731 1.00 0.74 H new ATOM 0 HG LEU A 65 -7.055 9.475 -9.424 1.00 1.41 H new ATOM 0 HD11 LEU A 65 -8.330 7.515 -10.197 1.00 2.03 H new ATOM 0 HD12 LEU A 65 -6.722 7.079 -9.570 1.00 2.03 H new ATOM 0 HD13 LEU A 65 -8.172 6.790 -8.579 1.00 2.03 H new ATOM 0 HD21 LEU A 65 -9.524 9.461 -9.340 1.00 2.04 H new ATOM 0 HD22 LEU A 65 -9.449 8.887 -7.657 1.00 2.04 H new ATOM 0 HD23 LEU A 65 -8.808 10.492 -8.078 1.00 2.04 H new ATOM 1009 N LEU A 66 -5.027 7.235 -5.054 1.00 0.65 N ATOM 1010 CA LEU A 66 -4.268 7.231 -3.807 1.00 0.68 C ATOM 1011 C LEU A 66 -2.883 7.852 -3.974 1.00 0.63 C ATOM 1012 O LEU A 66 -2.011 7.334 -4.683 1.00 0.73 O ATOM 1013 CB LEU A 66 -4.161 5.793 -3.321 1.00 0.90 C ATOM 1014 CG LEU A 66 -5.323 4.921 -3.793 1.00 0.79 C ATOM 1015 CD1 LEU A 66 -5.029 3.456 -3.580 1.00 1.55 C ATOM 1016 CD2 LEU A 66 -6.619 5.306 -3.105 1.00 1.56 C ATOM 0 H LEU A 66 -4.634 6.662 -5.801 1.00 0.65 H new ATOM 0 HA LEU A 66 -4.790 7.843 -3.071 1.00 0.68 H new ATOM 0 HB2 LEU A 66 -3.224 5.364 -3.674 1.00 0.90 H new ATOM 0 HB3 LEU A 66 -4.125 5.784 -2.232 1.00 0.90 H new ATOM 0 HG LEU A 66 -5.443 5.094 -4.863 1.00 0.79 H new ATOM 0 HD11 LEU A 66 -5.875 2.861 -3.926 1.00 1.55 H new ATOM 0 HD12 LEU A 66 -4.137 3.179 -4.141 1.00 1.55 H new ATOM 0 HD13 LEU A 66 -4.863 3.269 -2.519 1.00 1.55 H new ATOM 0 HD21 LEU A 66 -7.425 4.666 -3.464 1.00 1.56 H new ATOM 0 HD22 LEU A 66 -6.510 5.182 -2.028 1.00 1.56 H new ATOM 0 HD23 LEU A 66 -6.855 6.346 -3.329 1.00 1.56 H new ATOM 1028 N TYR A 67 -2.673 8.965 -3.302 1.00 0.62 N ATOM 1029 CA TYR A 67 -1.391 9.643 -3.414 1.00 0.63 C ATOM 1030 C TYR A 67 -0.806 9.896 -2.037 1.00 0.70 C ATOM 1031 O TYR A 67 -1.539 10.133 -1.091 1.00 0.98 O ATOM 1032 CB TYR A 67 -1.569 10.967 -4.167 1.00 0.91 C ATOM 1033 CG TYR A 67 -2.221 12.061 -3.347 1.00 0.72 C ATOM 1034 CD1 TYR A 67 -3.579 12.029 -3.056 1.00 0.75 C ATOM 1035 CD2 TYR A 67 -1.470 13.122 -2.857 1.00 0.84 C ATOM 1036 CE1 TYR A 67 -4.169 13.021 -2.299 1.00 0.95 C ATOM 1037 CE2 TYR A 67 -2.054 14.118 -2.101 1.00 1.16 C ATOM 1038 CZ TYR A 67 -3.403 14.063 -1.824 1.00 1.21 C ATOM 1039 OH TYR A 67 -3.984 15.056 -1.069 1.00 1.64 O ATOM 0 H TYR A 67 -3.352 9.413 -2.687 1.00 0.62 H new ATOM 0 HA TYR A 67 -0.702 9.008 -3.970 1.00 0.63 H new ATOM 0 HB2 TYR A 67 -0.593 11.314 -4.506 1.00 0.91 H new ATOM 0 HB3 TYR A 67 -2.171 10.788 -5.058 1.00 0.91 H new ATOM 0 HD1 TYR A 67 -4.183 11.215 -3.428 1.00 0.75 H new ATOM 0 HD2 TYR A 67 -0.412 13.168 -3.071 1.00 0.84 H new ATOM 0 HE1 TYR A 67 -5.226 12.981 -2.080 1.00 0.95 H new ATOM 0 HE2 TYR A 67 -1.457 14.937 -1.728 1.00 1.16 H new ATOM 0 HH TYR A 67 -3.303 15.713 -0.814 1.00 1.64 H new ATOM 1049 N GLY A 68 0.508 9.879 -1.927 1.00 0.66 N ATOM 1050 CA GLY A 68 1.139 10.235 -0.676 1.00 0.80 C ATOM 1051 C GLY A 68 2.610 10.468 -0.831 1.00 0.81 C ATOM 1052 O GLY A 68 3.179 10.052 -1.834 1.00 0.85 O ATOM 0 H GLY A 68 1.150 9.626 -2.678 1.00 0.66 H new ATOM 0 HA2 GLY A 68 0.670 11.135 -0.278 1.00 0.80 H new ATOM 0 HA3 GLY A 68 0.973 9.441 0.052 1.00 0.80 H new ATOM 1056 N SER A 69 3.237 11.138 0.132 1.00 0.91 N ATOM 1057 CA SER A 69 4.715 11.070 0.202 1.00 1.08 C ATOM 1058 C SER A 69 5.391 11.162 1.594 1.00 1.38 C ATOM 1059 O SER A 69 6.045 10.211 2.006 1.00 1.62 O ATOM 1060 CB SER A 69 5.314 12.157 -0.691 1.00 1.08 C ATOM 1061 OG SER A 69 4.801 12.078 -2.006 1.00 1.39 O ATOM 0 H SER A 69 2.785 11.709 0.846 1.00 0.91 H new ATOM 0 HA SER A 69 4.927 10.054 -0.130 1.00 1.08 H new ATOM 0 HB2 SER A 69 5.095 13.138 -0.271 1.00 1.08 H new ATOM 0 HB3 SER A 69 6.399 12.055 -0.714 1.00 1.08 H new ATOM 0 HG SER A 69 5.533 11.902 -2.633 1.00 1.39 H new ATOM 1067 N GLN A 70 5.211 12.245 2.342 1.00 1.49 N ATOM 1068 CA GLN A 70 6.081 12.457 3.525 1.00 1.85 C ATOM 1069 C GLN A 70 5.622 11.799 4.844 1.00 1.93 C ATOM 1070 O GLN A 70 6.404 11.144 5.530 1.00 2.19 O ATOM 1071 CB GLN A 70 6.266 13.961 3.763 1.00 2.07 C ATOM 1072 CG GLN A 70 4.959 14.729 3.895 1.00 2.63 C ATOM 1073 CD GLN A 70 5.159 16.192 4.234 1.00 3.22 C ATOM 1074 OE1 GLN A 70 6.162 16.806 3.860 1.00 3.66 O ATOM 1075 NE2 GLN A 70 4.202 16.759 4.950 1.00 3.79 N ATOM 0 H GLN A 70 4.510 12.967 2.175 1.00 1.49 H new ATOM 0 HA GLN A 70 7.013 11.955 3.266 1.00 1.85 H new ATOM 0 HB2 GLN A 70 6.854 14.106 4.669 1.00 2.07 H new ATOM 0 HB3 GLN A 70 6.842 14.381 2.938 1.00 2.07 H new ATOM 0 HG2 GLN A 70 4.404 14.652 2.960 1.00 2.63 H new ATOM 0 HG3 GLN A 70 4.348 14.264 4.668 1.00 2.63 H new ATOM 0 HE21 GLN A 70 3.389 16.214 5.238 1.00 3.79 H new ATOM 0 HE22 GLN A 70 4.277 17.741 5.214 1.00 3.79 H new ATOM 1084 N THR A 71 4.360 11.978 5.176 1.00 1.75 N ATOM 1085 CA THR A 71 3.839 11.644 6.518 1.00 1.78 C ATOM 1086 C THR A 71 2.499 10.904 6.435 1.00 1.56 C ATOM 1087 O THR A 71 1.640 11.316 5.682 1.00 1.63 O ATOM 1088 CB THR A 71 3.678 12.940 7.346 1.00 1.94 C ATOM 1089 OG1 THR A 71 4.913 13.669 7.326 1.00 2.26 O ATOM 1090 CG2 THR A 71 3.291 12.646 8.787 1.00 2.31 C ATOM 0 H THR A 71 3.658 12.356 4.540 1.00 1.75 H new ATOM 0 HA THR A 71 4.553 10.980 7.005 1.00 1.78 H new ATOM 0 HB THR A 71 2.878 13.529 6.898 1.00 1.94 H new ATOM 0 HG1 THR A 71 4.815 14.492 7.848 1.00 2.26 H new ATOM 0 HG21 THR A 71 3.188 13.583 9.334 1.00 2.31 H new ATOM 0 HG22 THR A 71 2.343 12.108 8.807 1.00 2.31 H new ATOM 0 HG23 THR A 71 4.064 12.036 9.254 1.00 2.31 H new ATOM 1098 N PRO A 72 2.211 9.903 7.268 1.00 1.41 N ATOM 1099 CA PRO A 72 1.012 9.111 7.082 1.00 1.20 C ATOM 1100 C PRO A 72 -0.057 9.399 8.137 1.00 1.04 C ATOM 1101 O PRO A 72 0.028 8.971 9.291 1.00 1.06 O ATOM 1102 CB PRO A 72 1.566 7.707 7.289 1.00 1.31 C ATOM 1103 CG PRO A 72 2.694 7.873 8.279 1.00 1.49 C ATOM 1104 CD PRO A 72 3.037 9.350 8.337 1.00 1.53 C ATOM 0 HA PRO A 72 0.520 9.298 6.128 1.00 1.20 H new ATOM 0 HB2 PRO A 72 0.800 7.033 7.673 1.00 1.31 H new ATOM 0 HB3 PRO A 72 1.924 7.282 6.351 1.00 1.31 H new ATOM 0 HG2 PRO A 72 2.397 7.510 9.263 1.00 1.49 H new ATOM 0 HG3 PRO A 72 3.562 7.290 7.972 1.00 1.49 H new ATOM 0 HD2 PRO A 72 2.794 9.786 9.306 1.00 1.53 H new ATOM 0 HD3 PRO A 72 4.098 9.528 8.164 1.00 1.53 H new ATOM 1112 N ASN A 73 -1.086 10.116 7.692 1.00 0.94 N ATOM 1113 CA ASN A 73 -2.137 10.604 8.576 1.00 0.86 C ATOM 1114 C ASN A 73 -3.177 9.543 8.501 1.00 0.68 C ATOM 1115 O ASN A 73 -3.020 8.640 7.663 1.00 0.71 O ATOM 1116 CB ASN A 73 -2.673 11.958 8.083 1.00 0.98 C ATOM 1117 CG ASN A 73 -3.494 12.703 9.128 1.00 1.57 C ATOM 1118 OD1 ASN A 73 -4.154 12.106 9.979 1.00 2.21 O ATOM 1119 ND2 ASN A 73 -3.457 14.025 9.069 1.00 2.17 N ATOM 0 H ASN A 73 -1.213 10.373 6.713 1.00 0.94 H new ATOM 0 HA ASN A 73 -1.796 10.779 9.596 1.00 0.86 H new ATOM 0 HB2 ASN A 73 -1.834 12.583 7.779 1.00 0.98 H new ATOM 0 HB3 ASN A 73 -3.287 11.796 7.197 1.00 0.98 H new ATOM 0 HD21 ASN A 73 -3.986 14.581 9.742 1.00 2.17 H new ATOM 0 HD22 ASN A 73 -2.900 14.488 8.351 1.00 2.17 H new ATOM 1126 N GLU A 74 -4.289 9.588 9.194 1.00 0.59 N ATOM 1127 CA GLU A 74 -5.131 8.520 8.844 1.00 0.47 C ATOM 1128 C GLU A 74 -6.219 9.022 7.943 1.00 0.52 C ATOM 1129 O GLU A 74 -7.267 9.543 8.312 1.00 0.64 O ATOM 1130 CB GLU A 74 -5.698 7.880 10.110 1.00 0.49 C ATOM 1131 CG GLU A 74 -6.240 8.877 11.122 1.00 1.15 C ATOM 1132 CD GLU A 74 -6.606 8.227 12.439 1.00 1.51 C ATOM 1133 OE1 GLU A 74 -5.711 8.063 13.298 1.00 2.11 O ATOM 1134 OE2 GLU A 74 -7.792 7.877 12.623 1.00 1.84 O ATOM 0 H GLU A 74 -4.589 10.258 9.903 1.00 0.59 H new ATOM 0 HA GLU A 74 -4.570 7.756 8.306 1.00 0.47 H new ATOM 0 HB2 GLU A 74 -6.496 7.193 9.830 1.00 0.49 H new ATOM 0 HB3 GLU A 74 -4.917 7.286 10.584 1.00 0.49 H new ATOM 0 HG2 GLU A 74 -5.494 9.652 11.298 1.00 1.15 H new ATOM 0 HG3 GLU A 74 -7.120 9.369 10.707 1.00 1.15 H new ATOM 1141 N GLU A 75 -5.858 8.768 6.714 1.00 0.49 N ATOM 1142 CA GLU A 75 -6.632 8.359 5.602 1.00 0.52 C ATOM 1143 C GLU A 75 -5.832 7.207 5.003 1.00 0.40 C ATOM 1144 O GLU A 75 -6.271 6.529 4.075 1.00 0.47 O ATOM 1145 CB GLU A 75 -6.722 9.491 4.605 1.00 0.69 C ATOM 1146 CG GLU A 75 -7.459 10.713 5.137 1.00 0.89 C ATOM 1147 CD GLU A 75 -7.850 11.696 4.053 1.00 1.40 C ATOM 1148 OE1 GLU A 75 -6.979 12.480 3.618 1.00 2.16 O ATOM 1149 OE2 GLU A 75 -9.016 11.675 3.615 1.00 1.69 O ATOM 0 H GLU A 75 -4.877 8.860 6.449 1.00 0.49 H new ATOM 0 HA GLU A 75 -7.649 8.075 5.870 1.00 0.52 H new ATOM 0 HB2 GLU A 75 -5.715 9.785 4.309 1.00 0.69 H new ATOM 0 HB3 GLU A 75 -7.227 9.134 3.707 1.00 0.69 H new ATOM 0 HG2 GLU A 75 -8.356 10.387 5.663 1.00 0.89 H new ATOM 0 HG3 GLU A 75 -6.828 11.220 5.867 1.00 0.89 H new ATOM 1156 N CYS A 76 -4.565 7.097 5.492 1.00 0.37 N ATOM 1157 CA CYS A 76 -3.648 6.053 5.071 1.00 0.47 C ATOM 1158 C CYS A 76 -4.082 4.674 5.568 1.00 0.40 C ATOM 1159 O CYS A 76 -3.675 3.660 5.013 1.00 0.48 O ATOM 1160 CB CYS A 76 -2.230 6.327 5.590 1.00 0.68 C ATOM 1161 SG CYS A 76 -1.953 5.906 7.327 1.00 1.40 S ATOM 0 H CYS A 76 -4.173 7.736 6.184 1.00 0.37 H new ATOM 0 HA CYS A 76 -3.658 6.058 3.981 1.00 0.47 H new ATOM 0 HB2 CYS A 76 -1.522 5.767 4.979 1.00 0.68 H new ATOM 0 HB3 CYS A 76 -2.006 7.384 5.449 1.00 0.68 H new ATOM 0 HG CYS A 76 -2.263 6.923 8.075 1.00 1.40 H new ATOM 1167 N LEU A 77 -4.903 4.642 6.619 1.00 0.37 N ATOM 1168 CA LEU A 77 -5.185 3.397 7.313 1.00 0.46 C ATOM 1169 C LEU A 77 -6.174 2.545 6.550 1.00 0.39 C ATOM 1170 O LEU A 77 -7.175 3.032 5.996 1.00 0.40 O ATOM 1171 CB LEU A 77 -5.655 3.612 8.765 1.00 0.66 C ATOM 1172 CG LEU A 77 -6.563 4.820 9.060 1.00 0.96 C ATOM 1173 CD1 LEU A 77 -7.834 4.807 8.227 1.00 1.63 C ATOM 1174 CD2 LEU A 77 -6.917 4.839 10.539 1.00 1.59 C ATOM 0 H LEU A 77 -5.378 5.460 7.001 1.00 0.37 H new ATOM 0 HA LEU A 77 -4.237 2.861 7.363 1.00 0.46 H new ATOM 0 HB2 LEU A 77 -6.183 2.712 9.082 1.00 0.66 H new ATOM 0 HB3 LEU A 77 -4.769 3.699 9.393 1.00 0.66 H new ATOM 0 HG LEU A 77 -6.010 5.720 8.792 1.00 0.96 H new ATOM 0 HD11 LEU A 77 -8.439 5.680 8.473 1.00 1.63 H new ATOM 0 HD12 LEU A 77 -7.575 4.831 7.168 1.00 1.63 H new ATOM 0 HD13 LEU A 77 -8.400 3.901 8.441 1.00 1.63 H new ATOM 0 HD21 LEU A 77 -7.560 5.694 10.748 1.00 1.59 H new ATOM 0 HD22 LEU A 77 -7.440 3.919 10.800 1.00 1.59 H new ATOM 0 HD23 LEU A 77 -6.005 4.917 11.130 1.00 1.59 H new ATOM 1186 N PHE A 78 -5.878 1.267 6.506 1.00 0.39 N ATOM 1187 CA PHE A 78 -6.687 0.349 5.780 1.00 0.39 C ATOM 1188 C PHE A 78 -7.157 -0.764 6.708 1.00 0.36 C ATOM 1189 O PHE A 78 -6.531 -1.032 7.734 1.00 0.41 O ATOM 1190 CB PHE A 78 -5.875 -0.236 4.625 1.00 0.53 C ATOM 1191 CG PHE A 78 -5.253 0.801 3.724 1.00 0.56 C ATOM 1192 CD1 PHE A 78 -5.948 1.950 3.380 1.00 0.66 C ATOM 1193 CD2 PHE A 78 -3.969 0.630 3.227 1.00 0.65 C ATOM 1194 CE1 PHE A 78 -5.377 2.904 2.561 1.00 0.81 C ATOM 1195 CE2 PHE A 78 -3.396 1.585 2.406 1.00 0.78 C ATOM 1196 CZ PHE A 78 -4.101 2.722 2.073 1.00 0.84 C ATOM 0 H PHE A 78 -5.073 0.848 6.973 1.00 0.39 H new ATOM 0 HA PHE A 78 -7.559 0.865 5.379 1.00 0.39 H new ATOM 0 HB2 PHE A 78 -5.086 -0.868 5.033 1.00 0.53 H new ATOM 0 HB3 PHE A 78 -6.522 -0.879 4.029 1.00 0.53 H new ATOM 0 HD1 PHE A 78 -6.949 2.101 3.757 1.00 0.66 H new ATOM 0 HD2 PHE A 78 -3.411 -0.258 3.484 1.00 0.65 H new ATOM 0 HE1 PHE A 78 -5.931 3.794 2.302 1.00 0.81 H new ATOM 0 HE2 PHE A 78 -2.396 1.440 2.026 1.00 0.78 H new ATOM 0 HZ PHE A 78 -3.655 3.468 1.432 1.00 0.84 H new ATOM 1206 N LEU A 79 -8.256 -1.400 6.357 1.00 0.37 N ATOM 1207 CA LEU A 79 -8.729 -2.552 7.104 1.00 0.37 C ATOM 1208 C LEU A 79 -8.156 -3.803 6.463 1.00 0.35 C ATOM 1209 O LEU A 79 -8.148 -3.926 5.235 1.00 0.35 O ATOM 1210 CB LEU A 79 -10.258 -2.603 7.135 1.00 0.44 C ATOM 1211 CG LEU A 79 -10.863 -3.711 7.999 1.00 0.55 C ATOM 1212 CD1 LEU A 79 -10.560 -3.469 9.468 1.00 1.02 C ATOM 1213 CD2 LEU A 79 -12.364 -3.806 7.768 1.00 1.09 C ATOM 0 H LEU A 79 -8.839 -1.141 5.561 1.00 0.37 H new ATOM 0 HA LEU A 79 -8.395 -2.480 8.139 1.00 0.37 H new ATOM 0 HB2 LEU A 79 -10.629 -1.643 7.494 1.00 0.44 H new ATOM 0 HB3 LEU A 79 -10.621 -2.723 6.114 1.00 0.44 H new ATOM 0 HG LEU A 79 -10.411 -4.660 7.710 1.00 0.55 H new ATOM 0 HD11 LEU A 79 -10.999 -4.268 10.066 1.00 1.02 H new ATOM 0 HD12 LEU A 79 -9.481 -3.453 9.619 1.00 1.02 H new ATOM 0 HD13 LEU A 79 -10.983 -2.512 9.774 1.00 1.02 H new ATOM 0 HD21 LEU A 79 -12.778 -4.599 8.390 1.00 1.09 H new ATOM 0 HD22 LEU A 79 -12.833 -2.857 8.029 1.00 1.09 H new ATOM 0 HD23 LEU A 79 -12.557 -4.030 6.719 1.00 1.09 H new ATOM 1225 N GLU A 80 -7.681 -4.719 7.282 1.00 0.39 N ATOM 1226 CA GLU A 80 -6.876 -5.828 6.784 1.00 0.42 C ATOM 1227 C GLU A 80 -7.725 -7.073 6.556 1.00 0.40 C ATOM 1228 O GLU A 80 -8.470 -7.514 7.435 1.00 0.51 O ATOM 1229 CB GLU A 80 -5.736 -6.119 7.770 1.00 0.57 C ATOM 1230 CG GLU A 80 -4.692 -7.106 7.258 1.00 0.97 C ATOM 1231 CD GLU A 80 -4.905 -8.517 7.770 1.00 1.40 C ATOM 1232 OE1 GLU A 80 -5.686 -9.267 7.146 1.00 2.07 O ATOM 1233 OE2 GLU A 80 -4.300 -8.878 8.794 1.00 1.69 O ATOM 0 H GLU A 80 -7.834 -4.723 8.290 1.00 0.39 H new ATOM 0 HA GLU A 80 -6.453 -5.544 5.821 1.00 0.42 H new ATOM 0 HB2 GLU A 80 -5.239 -5.181 8.018 1.00 0.57 H new ATOM 0 HB3 GLU A 80 -6.163 -6.508 8.694 1.00 0.57 H new ATOM 0 HG2 GLU A 80 -4.713 -7.115 6.168 1.00 0.97 H new ATOM 0 HG3 GLU A 80 -3.701 -6.764 7.555 1.00 0.97 H new ATOM 1240 N ARG A 81 -7.624 -7.603 5.341 1.00 0.38 N ATOM 1241 CA ARG A 81 -8.333 -8.807 4.946 1.00 0.39 C ATOM 1242 C ARG A 81 -7.334 -9.784 4.349 1.00 0.48 C ATOM 1243 O ARG A 81 -6.545 -9.411 3.487 1.00 0.75 O ATOM 1244 CB ARG A 81 -9.428 -8.468 3.927 1.00 0.56 C ATOM 1245 CG ARG A 81 -10.270 -9.662 3.502 1.00 0.76 C ATOM 1246 CD ARG A 81 -10.992 -10.287 4.686 1.00 1.34 C ATOM 1247 NE ARG A 81 -11.849 -9.325 5.378 1.00 2.05 N ATOM 1248 CZ ARG A 81 -12.320 -9.497 6.611 1.00 2.81 C ATOM 1249 NH1 ARG A 81 -12.019 -10.593 7.297 1.00 3.05 N ATOM 1250 NH2 ARG A 81 -13.089 -8.561 7.153 1.00 3.75 N ATOM 0 H ARG A 81 -7.044 -7.205 4.602 1.00 0.38 H new ATOM 0 HA ARG A 81 -8.811 -9.258 5.816 1.00 0.39 H new ATOM 0 HB2 ARG A 81 -10.083 -7.708 4.353 1.00 0.56 H new ATOM 0 HB3 ARG A 81 -8.964 -8.031 3.043 1.00 0.56 H new ATOM 0 HG2 ARG A 81 -10.999 -9.347 2.756 1.00 0.76 H new ATOM 0 HG3 ARG A 81 -9.632 -10.408 3.029 1.00 0.76 H new ATOM 0 HD2 ARG A 81 -11.595 -11.126 4.340 1.00 1.34 H new ATOM 0 HD3 ARG A 81 -10.259 -10.688 5.386 1.00 1.34 H new ATOM 0 HE ARG A 81 -12.102 -8.469 4.885 1.00 2.05 H new ATOM 0 HH11 ARG A 81 -11.424 -11.309 6.880 1.00 3.05 H new ATOM 0 HH12 ARG A 81 -12.383 -10.719 8.242 1.00 3.05 H new ATOM 0 HH21 ARG A 81 -13.315 -7.718 6.625 1.00 3.75 H new ATOM 0 HH22 ARG A 81 -13.454 -8.685 8.097 1.00 3.75 H new ATOM 1264 N LEU A 82 -7.354 -11.020 4.795 1.00 0.60 N ATOM 1265 CA LEU A 82 -6.360 -11.977 4.344 1.00 0.82 C ATOM 1266 C LEU A 82 -6.853 -12.804 3.169 1.00 0.66 C ATOM 1267 O LEU A 82 -7.938 -13.389 3.203 1.00 0.84 O ATOM 1268 CB LEU A 82 -5.917 -12.885 5.491 1.00 1.25 C ATOM 1269 CG LEU A 82 -5.018 -12.208 6.528 1.00 1.28 C ATOM 1270 CD1 LEU A 82 -4.629 -13.185 7.620 1.00 1.93 C ATOM 1271 CD2 LEU A 82 -3.773 -11.636 5.861 1.00 1.65 C ATOM 0 H LEU A 82 -8.036 -11.386 5.460 1.00 0.60 H new ATOM 0 HA LEU A 82 -5.499 -11.404 4.000 1.00 0.82 H new ATOM 0 HB2 LEU A 82 -6.803 -13.271 5.994 1.00 1.25 H new ATOM 0 HB3 LEU A 82 -5.388 -13.742 5.075 1.00 1.25 H new ATOM 0 HG LEU A 82 -5.577 -11.390 6.982 1.00 1.28 H new ATOM 0 HD11 LEU A 82 -3.990 -12.683 8.347 1.00 1.93 H new ATOM 0 HD12 LEU A 82 -5.527 -13.551 8.118 1.00 1.93 H new ATOM 0 HD13 LEU A 82 -4.090 -14.025 7.182 1.00 1.93 H new ATOM 0 HD21 LEU A 82 -3.145 -11.158 6.613 1.00 1.65 H new ATOM 0 HD22 LEU A 82 -3.216 -12.440 5.380 1.00 1.65 H new ATOM 0 HD23 LEU A 82 -4.067 -10.900 5.113 1.00 1.65 H new ATOM 1283 N GLU A 83 -6.051 -12.818 2.115 1.00 0.76 N ATOM 1284 CA GLU A 83 -6.277 -13.694 0.985 1.00 0.82 C ATOM 1285 C GLU A 83 -5.452 -14.953 1.219 1.00 1.29 C ATOM 1286 O GLU A 83 -4.306 -14.870 1.660 1.00 2.03 O ATOM 1287 CB GLU A 83 -5.864 -12.996 -0.318 1.00 1.39 C ATOM 1288 CG GLU A 83 -6.810 -13.239 -1.485 1.00 1.89 C ATOM 1289 CD GLU A 83 -6.823 -14.675 -1.961 1.00 2.05 C ATOM 1290 OE1 GLU A 83 -7.465 -15.520 -1.305 1.00 2.36 O ATOM 1291 OE2 GLU A 83 -6.204 -14.965 -3.006 1.00 2.48 O ATOM 0 H GLU A 83 -5.228 -12.222 2.023 1.00 0.76 H new ATOM 0 HA GLU A 83 -7.333 -13.949 0.892 1.00 0.82 H new ATOM 0 HB2 GLU A 83 -5.797 -11.923 -0.137 1.00 1.39 H new ATOM 0 HB3 GLU A 83 -4.866 -13.335 -0.598 1.00 1.39 H new ATOM 0 HG2 GLU A 83 -7.820 -12.953 -1.190 1.00 1.89 H new ATOM 0 HG3 GLU A 83 -6.525 -12.592 -2.315 1.00 1.89 H new ATOM 1298 N GLU A 84 -6.001 -16.108 0.914 1.00 1.26 N ATOM 1299 CA GLU A 84 -5.396 -17.345 1.374 1.00 1.78 C ATOM 1300 C GLU A 84 -4.440 -17.923 0.342 1.00 1.46 C ATOM 1301 O GLU A 84 -3.912 -19.016 0.520 1.00 1.49 O ATOM 1302 CB GLU A 84 -6.470 -18.356 1.772 1.00 2.65 C ATOM 1303 CG GLU A 84 -7.389 -17.836 2.867 1.00 3.44 C ATOM 1304 CD GLU A 84 -8.065 -18.940 3.646 1.00 3.85 C ATOM 1305 OE1 GLU A 84 -9.148 -19.391 3.216 1.00 3.98 O ATOM 1306 OE2 GLU A 84 -7.519 -19.364 4.686 1.00 4.35 O ATOM 0 H GLU A 84 -6.850 -16.220 0.360 1.00 1.26 H new ATOM 0 HA GLU A 84 -4.804 -17.116 2.260 1.00 1.78 H new ATOM 0 HB2 GLU A 84 -7.065 -18.612 0.895 1.00 2.65 H new ATOM 0 HB3 GLU A 84 -5.991 -19.274 2.111 1.00 2.65 H new ATOM 0 HG2 GLU A 84 -6.812 -17.216 3.553 1.00 3.44 H new ATOM 0 HG3 GLU A 84 -8.150 -17.195 2.421 1.00 3.44 H new ATOM 1313 N ASN A 85 -4.186 -17.172 -0.721 1.00 1.98 N ATOM 1314 CA ASN A 85 -3.115 -17.521 -1.645 1.00 2.36 C ATOM 1315 C ASN A 85 -1.861 -16.747 -1.243 1.00 1.83 C ATOM 1316 O ASN A 85 -1.106 -16.251 -2.078 1.00 2.36 O ATOM 1317 CB ASN A 85 -3.513 -17.218 -3.097 1.00 3.24 C ATOM 1318 CG ASN A 85 -2.646 -17.953 -4.113 1.00 4.01 C ATOM 1319 OD1 ASN A 85 -2.962 -19.071 -4.524 1.00 4.69 O ATOM 1320 ND2 ASN A 85 -1.551 -17.335 -4.525 1.00 4.33 N ATOM 0 H ASN A 85 -4.701 -16.326 -0.964 1.00 1.98 H new ATOM 0 HA ASN A 85 -2.918 -18.592 -1.590 1.00 2.36 H new ATOM 0 HB2 ASN A 85 -4.556 -17.495 -3.248 1.00 3.24 H new ATOM 0 HB3 ASN A 85 -3.440 -16.145 -3.273 1.00 3.24 H new ATOM 0 HD21 ASN A 85 -0.937 -17.784 -5.205 1.00 4.33 H new ATOM 0 HD22 ASN A 85 -1.321 -16.410 -4.163 1.00 4.33 H new ATOM 1327 N HIS A 86 -1.675 -16.653 0.069 1.00 1.13 N ATOM 1328 CA HIS A 86 -0.571 -15.903 0.675 1.00 1.29 C ATOM 1329 C HIS A 86 -0.529 -14.454 0.196 1.00 1.07 C ATOM 1330 O HIS A 86 0.542 -13.893 -0.026 1.00 1.43 O ATOM 1331 CB HIS A 86 0.775 -16.583 0.410 1.00 2.00 C ATOM 1332 CG HIS A 86 0.974 -17.843 1.190 1.00 2.54 C ATOM 1333 ND1 HIS A 86 1.412 -17.858 2.497 1.00 3.33 N ATOM 1334 CD2 HIS A 86 0.791 -19.136 0.842 1.00 3.02 C ATOM 1335 CE1 HIS A 86 1.491 -19.105 2.916 1.00 3.99 C ATOM 1336 NE2 HIS A 86 1.120 -19.901 1.933 1.00 3.81 N ATOM 0 H HIS A 86 -2.289 -17.098 0.751 1.00 1.13 H new ATOM 0 HA HIS A 86 -0.754 -15.895 1.749 1.00 1.29 H new ATOM 0 HB2 HIS A 86 0.856 -16.808 -0.654 1.00 2.00 H new ATOM 0 HB3 HIS A 86 1.578 -15.886 0.651 1.00 2.00 H new ATOM 0 HD2 HIS A 86 0.450 -19.500 -0.116 1.00 3.02 H new ATOM 0 HE1 HIS A 86 1.807 -19.421 3.899 1.00 3.99 H new ATOM 0 HE2 HIS A 86 1.083 -20.919 1.976 1.00 3.81 H new ATOM 1345 N TYR A 87 -1.694 -13.844 0.064 1.00 0.63 N ATOM 1346 CA TYR A 87 -1.784 -12.451 -0.351 1.00 0.49 C ATOM 1347 C TYR A 87 -2.534 -11.639 0.691 1.00 0.46 C ATOM 1348 O TYR A 87 -3.286 -12.184 1.497 1.00 0.61 O ATOM 1349 CB TYR A 87 -2.493 -12.320 -1.704 1.00 0.61 C ATOM 1350 CG TYR A 87 -1.657 -12.734 -2.894 1.00 1.00 C ATOM 1351 CD1 TYR A 87 -0.378 -12.226 -3.079 1.00 1.67 C ATOM 1352 CD2 TYR A 87 -2.142 -13.643 -3.827 1.00 1.38 C ATOM 1353 CE1 TYR A 87 0.394 -12.613 -4.158 1.00 2.52 C ATOM 1354 CE2 TYR A 87 -1.377 -14.033 -4.909 1.00 2.16 C ATOM 1355 CZ TYR A 87 -0.128 -13.470 -5.097 1.00 2.70 C ATOM 1356 OH TYR A 87 0.657 -13.906 -6.145 1.00 3.60 O ATOM 0 H TYR A 87 -2.594 -14.291 0.238 1.00 0.63 H new ATOM 0 HA TYR A 87 -0.768 -12.069 -0.451 1.00 0.49 H new ATOM 0 HB2 TYR A 87 -3.399 -12.925 -1.685 1.00 0.61 H new ATOM 0 HB3 TYR A 87 -2.804 -11.284 -1.838 1.00 0.61 H new ATOM 0 HD1 TYR A 87 0.020 -11.517 -2.368 1.00 1.67 H new ATOM 0 HD2 TYR A 87 -3.134 -14.051 -3.704 1.00 1.38 H new ATOM 0 HE1 TYR A 87 1.403 -12.243 -4.263 1.00 2.52 H new ATOM 0 HE2 TYR A 87 -1.751 -14.772 -5.602 1.00 2.16 H new ATOM 0 HH TYR A 87 0.135 -14.507 -6.717 1.00 3.60 H new ATOM 1366 N ASN A 88 -2.325 -10.337 0.684 1.00 0.38 N ATOM 1367 CA ASN A 88 -3.079 -9.458 1.559 1.00 0.38 C ATOM 1368 C ASN A 88 -4.103 -8.712 0.742 1.00 0.34 C ATOM 1369 O ASN A 88 -3.927 -8.500 -0.458 1.00 0.36 O ATOM 1370 CB ASN A 88 -2.199 -8.426 2.270 1.00 0.43 C ATOM 1371 CG ASN A 88 -0.978 -9.001 2.965 1.00 0.98 C ATOM 1372 OD1 ASN A 88 0.030 -8.312 3.105 1.00 1.80 O ATOM 1373 ND2 ASN A 88 -1.055 -10.248 3.408 1.00 1.60 N ATOM 0 H ASN A 88 -1.645 -9.866 0.087 1.00 0.38 H new ATOM 0 HA ASN A 88 -3.542 -10.087 2.319 1.00 0.38 H new ATOM 0 HB2 ASN A 88 -1.870 -7.686 1.541 1.00 0.43 H new ATOM 0 HB3 ASN A 88 -2.805 -7.899 3.007 1.00 0.43 H new ATOM 0 HD21 ASN A 88 -0.258 -10.670 3.886 1.00 1.60 H new ATOM 0 HD22 ASN A 88 -1.911 -10.786 3.271 1.00 1.60 H new ATOM 1380 N THR A 89 -5.174 -8.339 1.388 1.00 0.36 N ATOM 1381 CA THR A 89 -6.163 -7.482 0.791 1.00 0.37 C ATOM 1382 C THR A 89 -6.363 -6.297 1.710 1.00 0.37 C ATOM 1383 O THR A 89 -6.236 -6.425 2.926 1.00 0.40 O ATOM 1384 CB THR A 89 -7.501 -8.211 0.575 1.00 0.44 C ATOM 1385 OG1 THR A 89 -7.262 -9.535 0.076 1.00 0.50 O ATOM 1386 CG2 THR A 89 -8.375 -7.455 -0.415 1.00 0.49 C ATOM 0 H THR A 89 -5.386 -8.621 2.345 1.00 0.36 H new ATOM 0 HA THR A 89 -5.813 -7.163 -0.191 1.00 0.37 H new ATOM 0 HB THR A 89 -8.017 -8.264 1.534 1.00 0.44 H new ATOM 0 HG1 THR A 89 -8.118 -9.994 -0.057 1.00 0.50 H new ATOM 0 HG21 THR A 89 -9.315 -7.989 -0.552 1.00 0.49 H new ATOM 0 HG22 THR A 89 -8.578 -6.455 -0.031 1.00 0.49 H new ATOM 0 HG23 THR A 89 -7.859 -7.379 -1.372 1.00 0.49 H new ATOM 1394 N TYR A 90 -6.649 -5.155 1.148 1.00 0.40 N ATOM 1395 CA TYR A 90 -6.841 -3.965 1.947 1.00 0.42 C ATOM 1396 C TYR A 90 -8.178 -3.340 1.621 1.00 0.38 C ATOM 1397 O TYR A 90 -8.516 -3.153 0.451 1.00 0.42 O ATOM 1398 CB TYR A 90 -5.721 -2.942 1.711 1.00 0.49 C ATOM 1399 CG TYR A 90 -4.331 -3.428 2.069 1.00 0.54 C ATOM 1400 CD1 TYR A 90 -4.075 -3.980 3.317 1.00 0.57 C ATOM 1401 CD2 TYR A 90 -3.277 -3.339 1.166 1.00 0.76 C ATOM 1402 CE1 TYR A 90 -2.814 -4.430 3.656 1.00 0.67 C ATOM 1403 CE2 TYR A 90 -2.010 -3.788 1.498 1.00 0.85 C ATOM 1404 CZ TYR A 90 -1.765 -4.305 2.708 1.00 0.75 C ATOM 1405 OH TYR A 90 -0.526 -4.785 3.086 1.00 0.87 O ATOM 0 H TYR A 90 -6.755 -5.018 0.143 1.00 0.40 H new ATOM 0 HA TYR A 90 -6.816 -4.258 2.997 1.00 0.42 H new ATOM 0 HB2 TYR A 90 -5.730 -2.651 0.661 1.00 0.49 H new ATOM 0 HB3 TYR A 90 -5.938 -2.046 2.292 1.00 0.49 H new ATOM 0 HD1 TYR A 90 -4.877 -4.059 4.036 1.00 0.57 H new ATOM 0 HD2 TYR A 90 -3.450 -2.912 0.189 1.00 0.76 H new ATOM 0 HE1 TYR A 90 -2.629 -4.869 4.625 1.00 0.67 H new ATOM 0 HE2 TYR A 90 -1.212 -3.720 0.774 1.00 0.85 H new ATOM 0 HH TYR A 90 -0.641 -5.531 3.711 1.00 0.87 H new ATOM 1415 N ILE A 91 -8.944 -3.033 2.648 1.00 0.35 N ATOM 1416 CA ILE A 91 -10.153 -2.275 2.460 1.00 0.35 C ATOM 1417 C ILE A 91 -9.847 -0.854 2.848 1.00 0.36 C ATOM 1418 O ILE A 91 -9.027 -0.608 3.738 1.00 0.41 O ATOM 1419 CB ILE A 91 -11.351 -2.836 3.278 1.00 0.42 C ATOM 1420 CG1 ILE A 91 -12.546 -3.039 2.355 1.00 1.12 C ATOM 1421 CG2 ILE A 91 -11.743 -1.902 4.418 1.00 0.88 C ATOM 1422 CD1 ILE A 91 -13.759 -3.635 3.039 1.00 1.55 C ATOM 0 H ILE A 91 -8.748 -3.297 3.614 1.00 0.35 H new ATOM 0 HA ILE A 91 -10.464 -2.340 1.417 1.00 0.35 H new ATOM 0 HB ILE A 91 -11.044 -3.787 3.713 1.00 0.42 H new ATOM 0 HG12 ILE A 91 -12.823 -2.079 1.919 1.00 1.12 H new ATOM 0 HG13 ILE A 91 -12.250 -3.689 1.532 1.00 1.12 H new ATOM 0 HG21 ILE A 91 -12.583 -2.329 4.966 1.00 0.88 H new ATOM 0 HG22 ILE A 91 -10.896 -1.776 5.093 1.00 0.88 H new ATOM 0 HG23 ILE A 91 -12.030 -0.932 4.011 1.00 0.88 H new ATOM 0 HD11 ILE A 91 -14.566 -3.748 2.315 1.00 1.55 H new ATOM 0 HD12 ILE A 91 -13.502 -4.611 3.451 1.00 1.55 H new ATOM 0 HD13 ILE A 91 -14.083 -2.976 3.844 1.00 1.55 H new ATOM 1434 N SER A 92 -10.494 0.076 2.204 1.00 0.36 N ATOM 1435 CA SER A 92 -10.179 1.453 2.410 1.00 0.40 C ATOM 1436 C SER A 92 -11.006 1.943 3.552 1.00 0.43 C ATOM 1437 O SER A 92 -12.211 2.091 3.439 1.00 0.53 O ATOM 1438 CB SER A 92 -10.456 2.247 1.144 1.00 0.47 C ATOM 1439 OG SER A 92 -11.698 1.888 0.577 1.00 1.33 O ATOM 0 H SER A 92 -11.242 -0.099 1.533 1.00 0.36 H new ATOM 0 HA SER A 92 -9.122 1.579 2.644 1.00 0.40 H new ATOM 0 HB2 SER A 92 -10.452 3.313 1.372 1.00 0.47 H new ATOM 0 HB3 SER A 92 -9.659 2.073 0.421 1.00 0.47 H new ATOM 0 HG SER A 92 -11.920 2.512 -0.145 1.00 1.33 H new ATOM 1445 N LYS A 93 -10.352 2.168 4.671 1.00 0.44 N ATOM 1446 CA LYS A 93 -11.058 2.457 5.895 1.00 0.54 C ATOM 1447 C LYS A 93 -11.685 3.848 5.817 1.00 0.57 C ATOM 1448 O LYS A 93 -12.507 4.222 6.653 1.00 0.72 O ATOM 1449 CB LYS A 93 -10.075 2.357 7.059 1.00 0.65 C ATOM 1450 CG LYS A 93 -10.637 1.677 8.288 1.00 0.84 C ATOM 1451 CD LYS A 93 -9.636 1.707 9.429 1.00 1.27 C ATOM 1452 CE LYS A 93 -10.217 1.134 10.710 1.00 1.20 C ATOM 1453 NZ LYS A 93 -11.350 1.944 11.224 1.00 1.58 N ATOM 0 H LYS A 93 -9.336 2.156 4.756 1.00 0.44 H new ATOM 0 HA LYS A 93 -11.863 1.739 6.048 1.00 0.54 H new ATOM 0 HB2 LYS A 93 -9.191 1.812 6.728 1.00 0.65 H new ATOM 0 HB3 LYS A 93 -9.747 3.360 7.330 1.00 0.65 H new ATOM 0 HG2 LYS A 93 -11.558 2.173 8.594 1.00 0.84 H new ATOM 0 HG3 LYS A 93 -10.894 0.645 8.052 1.00 0.84 H new ATOM 0 HD2 LYS A 93 -8.749 1.140 9.148 1.00 1.27 H new ATOM 0 HD3 LYS A 93 -9.316 2.734 9.604 1.00 1.27 H new ATOM 0 HE2 LYS A 93 -10.555 0.114 10.529 1.00 1.20 H new ATOM 0 HE3 LYS A 93 -9.437 1.081 11.469 1.00 1.20 H new ATOM 0 HZ1 LYS A 93 -11.571 1.653 12.198 1.00 1.58 H new ATOM 0 HZ2 LYS A 93 -11.090 2.951 11.214 1.00 1.58 H new ATOM 0 HZ3 LYS A 93 -12.184 1.796 10.621 1.00 1.58 H new ATOM 1467 N LYS A 94 -11.369 4.549 4.733 1.00 0.52 N ATOM 1468 CA LYS A 94 -12.062 5.774 4.362 1.00 0.67 C ATOM 1469 C LYS A 94 -13.527 5.421 4.134 1.00 0.79 C ATOM 1470 O LYS A 94 -14.394 5.754 4.947 1.00 0.97 O ATOM 1471 CB LYS A 94 -11.451 6.392 3.083 1.00 0.69 C ATOM 1472 CG LYS A 94 -12.144 7.652 2.587 1.00 1.21 C ATOM 1473 CD LYS A 94 -11.655 8.887 3.325 1.00 1.56 C ATOM 1474 CE LYS A 94 -12.139 10.159 2.649 1.00 2.00 C ATOM 1475 NZ LYS A 94 -11.631 11.378 3.333 1.00 2.32 N ATOM 0 H LYS A 94 -10.625 4.282 4.088 1.00 0.52 H new ATOM 0 HA LYS A 94 -11.963 6.515 5.156 1.00 0.67 H new ATOM 0 HB2 LYS A 94 -10.403 6.622 3.273 1.00 0.69 H new ATOM 0 HB3 LYS A 94 -11.474 5.645 2.289 1.00 0.69 H new ATOM 0 HG2 LYS A 94 -11.963 7.771 1.519 1.00 1.21 H new ATOM 0 HG3 LYS A 94 -13.221 7.551 2.719 1.00 1.21 H new ATOM 0 HD2 LYS A 94 -12.010 8.862 4.355 1.00 1.56 H new ATOM 0 HD3 LYS A 94 -10.566 8.884 3.363 1.00 1.56 H new ATOM 0 HE2 LYS A 94 -11.813 10.164 1.609 1.00 2.00 H new ATOM 0 HE3 LYS A 94 -13.229 10.174 2.642 1.00 2.00 H new ATOM 0 HZ1 LYS A 94 -12.161 12.209 3.001 1.00 2.32 H new ATOM 0 HZ2 LYS A 94 -11.755 11.277 4.361 1.00 2.32 H new ATOM 0 HZ3 LYS A 94 -10.621 11.502 3.117 1.00 2.32 H new ATOM 1489 N HIS A 95 -13.800 4.747 3.026 1.00 0.76 N ATOM 1490 CA HIS A 95 -15.118 4.173 2.792 1.00 0.96 C ATOM 1491 C HIS A 95 -15.199 2.715 3.221 1.00 1.01 C ATOM 1492 O HIS A 95 -15.762 1.890 2.497 1.00 1.23 O ATOM 1493 CB HIS A 95 -15.534 4.293 1.327 1.00 1.06 C ATOM 1494 CG HIS A 95 -15.872 5.682 0.910 1.00 0.99 C ATOM 1495 ND1 HIS A 95 -14.924 6.596 0.530 1.00 1.55 N ATOM 1496 CD2 HIS A 95 -17.064 6.311 0.810 1.00 1.69 C ATOM 1497 CE1 HIS A 95 -15.512 7.729 0.215 1.00 2.27 C ATOM 1498 NE2 HIS A 95 -16.813 7.585 0.375 1.00 2.32 N ATOM 0 H HIS A 95 -13.128 4.584 2.276 1.00 0.76 H new ATOM 0 HA HIS A 95 -15.808 4.751 3.407 1.00 0.96 H new ATOM 0 HB2 HIS A 95 -14.725 3.921 0.698 1.00 1.06 H new ATOM 0 HB3 HIS A 95 -16.397 3.650 1.150 1.00 1.06 H new ATOM 0 HD1 HIS A 95 -13.919 6.424 0.497 1.00 1.55 H new ATOM 0 HD2 HIS A 95 -18.033 5.888 1.032 1.00 1.69 H new ATOM 0 HE1 HIS A 95 -15.013 8.627 -0.119 1.00 2.27 H new ATOM 1507 N ALA A 96 -14.652 2.397 4.388 1.00 0.94 N ATOM 1508 CA ALA A 96 -14.647 1.014 4.873 1.00 1.02 C ATOM 1509 C ALA A 96 -16.052 0.425 4.879 1.00 1.03 C ATOM 1510 O ALA A 96 -16.298 -0.641 4.314 1.00 1.05 O ATOM 1511 CB ALA A 96 -14.039 0.938 6.265 1.00 1.18 C ATOM 0 H ALA A 96 -14.209 3.069 5.015 1.00 0.94 H new ATOM 0 HA ALA A 96 -14.036 0.425 4.189 1.00 1.02 H new ATOM 0 HB1 ALA A 96 -14.044 -0.097 6.608 1.00 1.18 H new ATOM 0 HB2 ALA A 96 -13.013 1.305 6.235 1.00 1.18 H new ATOM 0 HB3 ALA A 96 -14.623 1.551 6.951 1.00 1.18 H new ATOM 1517 N GLU A 97 -16.976 1.155 5.483 1.00 1.07 N ATOM 1518 CA GLU A 97 -18.352 0.703 5.628 1.00 1.16 C ATOM 1519 C GLU A 97 -19.048 0.596 4.268 1.00 1.07 C ATOM 1520 O GLU A 97 -20.026 -0.131 4.118 1.00 1.18 O ATOM 1521 CB GLU A 97 -19.106 1.670 6.544 1.00 1.30 C ATOM 1522 CG GLU A 97 -20.486 1.192 6.956 1.00 2.04 C ATOM 1523 CD GLU A 97 -21.133 2.118 7.963 1.00 2.81 C ATOM 1524 OE1 GLU A 97 -21.806 3.082 7.547 1.00 3.42 O ATOM 1525 OE2 GLU A 97 -20.962 1.892 9.179 1.00 3.22 O ATOM 0 H GLU A 97 -16.795 2.075 5.886 1.00 1.07 H new ATOM 0 HA GLU A 97 -18.350 -0.292 6.072 1.00 1.16 H new ATOM 0 HB2 GLU A 97 -18.511 1.841 7.441 1.00 1.30 H new ATOM 0 HB3 GLU A 97 -19.203 2.630 6.038 1.00 1.30 H new ATOM 0 HG2 GLU A 97 -21.121 1.116 6.073 1.00 2.04 H new ATOM 0 HG3 GLU A 97 -20.410 0.191 7.381 1.00 2.04 H new ATOM 1532 N LYS A 98 -18.527 1.303 3.271 1.00 0.92 N ATOM 1533 CA LYS A 98 -19.142 1.302 1.948 1.00 0.88 C ATOM 1534 C LYS A 98 -18.514 0.242 1.052 1.00 0.83 C ATOM 1535 O LYS A 98 -18.883 0.115 -0.118 1.00 0.83 O ATOM 1536 CB LYS A 98 -19.037 2.685 1.297 1.00 0.84 C ATOM 1537 CG LYS A 98 -20.111 3.665 1.761 1.00 1.41 C ATOM 1538 CD LYS A 98 -19.984 4.003 3.239 1.00 1.98 C ATOM 1539 CE LYS A 98 -21.280 4.574 3.793 1.00 2.14 C ATOM 1540 NZ LYS A 98 -21.673 5.841 3.124 1.00 2.65 N ATOM 0 H LYS A 98 -17.689 1.879 3.351 1.00 0.92 H new ATOM 0 HA LYS A 98 -20.197 1.059 2.072 1.00 0.88 H new ATOM 0 HB2 LYS A 98 -18.055 3.106 1.515 1.00 0.84 H new ATOM 0 HB3 LYS A 98 -19.103 2.573 0.215 1.00 0.84 H new ATOM 0 HG2 LYS A 98 -20.042 4.581 1.174 1.00 1.41 H new ATOM 0 HG3 LYS A 98 -21.096 3.238 1.571 1.00 1.41 H new ATOM 0 HD2 LYS A 98 -19.712 3.107 3.796 1.00 1.98 H new ATOM 0 HD3 LYS A 98 -19.178 4.723 3.381 1.00 1.98 H new ATOM 0 HE2 LYS A 98 -22.077 3.841 3.673 1.00 2.14 H new ATOM 0 HE3 LYS A 98 -21.168 4.751 4.863 1.00 2.14 H new ATOM 0 HZ1 LYS A 98 -22.524 6.226 3.581 1.00 2.65 H new ATOM 0 HZ2 LYS A 98 -20.897 6.529 3.201 1.00 2.65 H new ATOM 0 HZ3 LYS A 98 -21.873 5.656 2.120 1.00 2.65 H new ATOM 1554 N ASN A 99 -17.532 -0.475 1.599 1.00 0.82 N ATOM 1555 CA ASN A 99 -17.002 -1.697 0.985 1.00 0.84 C ATOM 1556 C ASN A 99 -16.019 -1.373 -0.140 1.00 0.68 C ATOM 1557 O ASN A 99 -15.733 -2.213 -0.989 1.00 0.74 O ATOM 1558 CB ASN A 99 -18.146 -2.608 0.490 1.00 1.01 C ATOM 1559 CG ASN A 99 -17.701 -4.025 0.146 1.00 1.34 C ATOM 1560 OD1 ASN A 99 -17.574 -4.879 1.024 1.00 1.96 O ATOM 1561 ND2 ASN A 99 -17.506 -4.298 -1.137 1.00 2.00 N ATOM 0 H ASN A 99 -17.081 -0.227 2.479 1.00 0.82 H new ATOM 0 HA ASN A 99 -16.451 -2.243 1.751 1.00 0.84 H new ATOM 0 HB2 ASN A 99 -18.918 -2.656 1.258 1.00 1.01 H new ATOM 0 HB3 ASN A 99 -18.602 -2.157 -0.391 1.00 1.01 H new ATOM 0 HD21 ASN A 99 -17.242 -5.241 -1.423 1.00 2.00 H new ATOM 0 HD22 ASN A 99 -17.620 -3.565 -1.837 1.00 2.00 H new ATOM 1568 N TRP A 100 -15.493 -0.155 -0.161 1.00 0.54 N ATOM 1569 CA TRP A 100 -14.489 0.192 -1.127 1.00 0.44 C ATOM 1570 C TRP A 100 -13.195 -0.520 -0.805 1.00 0.41 C ATOM 1571 O TRP A 100 -12.939 -0.890 0.342 1.00 0.45 O ATOM 1572 CB TRP A 100 -14.276 1.689 -1.140 1.00 0.51 C ATOM 1573 CG TRP A 100 -15.256 2.429 -1.988 1.00 0.52 C ATOM 1574 CD1 TRP A 100 -16.610 2.336 -1.980 1.00 1.03 C ATOM 1575 CD2 TRP A 100 -14.924 3.395 -2.965 1.00 0.54 C ATOM 1576 NE1 TRP A 100 -17.144 3.208 -2.904 1.00 1.33 N ATOM 1577 CE2 TRP A 100 -16.113 3.875 -3.522 1.00 1.01 C ATOM 1578 CE3 TRP A 100 -13.719 3.889 -3.407 1.00 0.62 C ATOM 1579 CZ2 TRP A 100 -16.118 4.855 -4.518 1.00 1.22 C ATOM 1580 CZ3 TRP A 100 -13.709 4.861 -4.388 1.00 0.82 C ATOM 1581 CH2 TRP A 100 -14.901 5.336 -4.936 1.00 1.01 C ATOM 0 H TRP A 100 -15.750 0.596 0.480 1.00 0.54 H new ATOM 0 HA TRP A 100 -14.825 -0.121 -2.116 1.00 0.44 H new ATOM 0 HB2 TRP A 100 -14.337 2.064 -0.118 1.00 0.51 H new ATOM 0 HB3 TRP A 100 -13.268 1.900 -1.497 1.00 0.51 H new ATOM 0 HD1 TRP A 100 -17.183 1.677 -1.345 1.00 1.03 H new ATOM 0 HE1 TRP A 100 -18.137 3.337 -3.097 1.00 1.33 H new ATOM 0 HE3 TRP A 100 -12.792 3.521 -2.992 1.00 0.62 H new ATOM 0 HZ2 TRP A 100 -17.042 5.220 -4.942 1.00 1.22 H new ATOM 0 HZ3 TRP A 100 -12.767 5.258 -4.735 1.00 0.82 H new ATOM 0 HH2 TRP A 100 -14.866 6.096 -5.703 1.00 1.01 H new ATOM 1592 N PHE A 101 -12.388 -0.705 -1.815 1.00 0.50 N ATOM 1593 CA PHE A 101 -11.154 -1.454 -1.670 1.00 0.51 C ATOM 1594 C PHE A 101 -9.965 -0.537 -1.855 1.00 0.55 C ATOM 1595 O PHE A 101 -10.061 0.480 -2.534 1.00 0.67 O ATOM 1596 CB PHE A 101 -11.084 -2.612 -2.669 1.00 0.60 C ATOM 1597 CG PHE A 101 -12.036 -3.741 -2.386 1.00 0.61 C ATOM 1598 CD1 PHE A 101 -13.372 -3.643 -2.740 1.00 0.62 C ATOM 1599 CD2 PHE A 101 -11.600 -4.892 -1.748 1.00 0.72 C ATOM 1600 CE1 PHE A 101 -14.252 -4.669 -2.466 1.00 0.71 C ATOM 1601 CE2 PHE A 101 -12.477 -5.923 -1.475 1.00 0.79 C ATOM 1602 CZ PHE A 101 -13.786 -5.842 -1.893 1.00 0.77 C ATOM 0 H PHE A 101 -12.558 -0.348 -2.755 1.00 0.50 H new ATOM 0 HA PHE A 101 -11.132 -1.875 -0.665 1.00 0.51 H new ATOM 0 HB2 PHE A 101 -11.286 -2.226 -3.668 1.00 0.60 H new ATOM 0 HB3 PHE A 101 -10.067 -3.005 -2.679 1.00 0.60 H new ATOM 0 HD1 PHE A 101 -13.729 -2.753 -3.236 1.00 0.62 H new ATOM 0 HD2 PHE A 101 -10.563 -4.983 -1.461 1.00 0.72 H new ATOM 0 HE1 PHE A 101 -15.301 -4.559 -2.697 1.00 0.71 H new ATOM 0 HE2 PHE A 101 -12.136 -6.793 -0.934 1.00 0.79 H new ATOM 0 HZ PHE A 101 -14.447 -6.688 -1.775 1.00 0.77 H new ATOM 1612 N VAL A 102 -8.861 -0.856 -1.211 1.00 0.52 N ATOM 1613 CA VAL A 102 -7.635 -0.150 -1.496 1.00 0.55 C ATOM 1614 C VAL A 102 -6.980 -0.837 -2.667 1.00 0.50 C ATOM 1615 O VAL A 102 -6.630 -2.011 -2.588 1.00 0.60 O ATOM 1616 CB VAL A 102 -6.660 -0.158 -0.308 1.00 0.74 C ATOM 1617 CG1 VAL A 102 -5.405 0.640 -0.633 1.00 1.50 C ATOM 1618 CG2 VAL A 102 -7.335 0.384 0.928 1.00 1.27 C ATOM 0 H VAL A 102 -8.789 -1.585 -0.501 1.00 0.52 H new ATOM 0 HA VAL A 102 -7.876 0.892 -1.708 1.00 0.55 H new ATOM 0 HB VAL A 102 -6.362 -1.188 -0.114 1.00 0.74 H new ATOM 0 HG11 VAL A 102 -4.730 0.620 0.222 1.00 1.50 H new ATOM 0 HG12 VAL A 102 -4.908 0.200 -1.498 1.00 1.50 H new ATOM 0 HG13 VAL A 102 -5.677 1.671 -0.857 1.00 1.50 H new ATOM 0 HG21 VAL A 102 -6.632 0.372 1.761 1.00 1.27 H new ATOM 0 HG22 VAL A 102 -7.663 1.407 0.744 1.00 1.27 H new ATOM 0 HG23 VAL A 102 -8.198 -0.235 1.172 1.00 1.27 H new ATOM 1628 N GLY A 103 -6.863 -0.126 -3.764 1.00 0.54 N ATOM 1629 CA GLY A 103 -6.336 -0.728 -4.952 1.00 0.61 C ATOM 1630 C GLY A 103 -5.323 0.129 -5.639 1.00 0.54 C ATOM 1631 O GLY A 103 -5.336 1.359 -5.570 1.00 0.66 O ATOM 0 H GLY A 103 -7.123 0.856 -3.853 1.00 0.54 H new ATOM 0 HA2 GLY A 103 -5.881 -1.685 -4.697 1.00 0.61 H new ATOM 0 HA3 GLY A 103 -7.154 -0.937 -5.641 1.00 0.61 H new ATOM 1635 N LEU A 104 -4.471 -0.518 -6.348 1.00 0.53 N ATOM 1636 CA LEU A 104 -3.401 0.158 -7.003 1.00 0.50 C ATOM 1637 C LEU A 104 -3.295 -0.237 -8.441 1.00 0.59 C ATOM 1638 O LEU A 104 -4.077 -1.032 -8.957 1.00 0.92 O ATOM 1639 CB LEU A 104 -2.094 -0.179 -6.302 1.00 0.77 C ATOM 1640 CG LEU A 104 -1.854 -1.658 -6.019 1.00 1.07 C ATOM 1641 CD1 LEU A 104 -1.492 -2.413 -7.282 1.00 1.62 C ATOM 1642 CD2 LEU A 104 -0.763 -1.802 -4.996 1.00 1.27 C ATOM 0 H LEU A 104 -4.491 -1.527 -6.493 1.00 0.53 H new ATOM 0 HA LEU A 104 -3.601 1.228 -6.957 1.00 0.50 H new ATOM 0 HB2 LEU A 104 -1.270 0.193 -6.911 1.00 0.77 H new ATOM 0 HB3 LEU A 104 -2.061 0.362 -5.357 1.00 0.77 H new ATOM 0 HG LEU A 104 -2.778 -2.088 -5.632 1.00 1.07 H new ATOM 0 HD11 LEU A 104 -1.328 -3.464 -7.043 1.00 1.62 H new ATOM 0 HD12 LEU A 104 -2.305 -2.327 -8.003 1.00 1.62 H new ATOM 0 HD13 LEU A 104 -0.582 -1.992 -7.710 1.00 1.62 H new ATOM 0 HD21 LEU A 104 -0.591 -2.859 -4.794 1.00 1.27 H new ATOM 0 HD22 LEU A 104 0.154 -1.352 -5.376 1.00 1.27 H new ATOM 0 HD23 LEU A 104 -1.059 -1.300 -4.075 1.00 1.27 H new ATOM 1654 N LYS A 105 -2.361 0.382 -9.090 1.00 0.49 N ATOM 1655 CA LYS A 105 -1.565 -0.363 -10.034 1.00 0.54 C ATOM 1656 C LYS A 105 -0.126 -0.021 -9.731 1.00 0.49 C ATOM 1657 O LYS A 105 0.385 0.951 -10.235 1.00 0.55 O ATOM 1658 CB LYS A 105 -1.954 -0.014 -11.482 1.00 0.70 C ATOM 1659 CG LYS A 105 -1.499 -1.042 -12.514 1.00 0.94 C ATOM 1660 CD LYS A 105 -0.245 -0.601 -13.253 1.00 1.55 C ATOM 1661 CE LYS A 105 -0.545 0.470 -14.295 1.00 1.97 C ATOM 1662 NZ LYS A 105 -1.318 -0.070 -15.452 1.00 2.09 N ATOM 0 H LYS A 105 -2.129 1.371 -8.995 1.00 0.49 H new ATOM 0 HA LYS A 105 -1.729 -1.436 -9.940 1.00 0.54 H new ATOM 0 HB2 LYS A 105 -3.037 0.089 -11.541 1.00 0.70 H new ATOM 0 HB3 LYS A 105 -1.527 0.956 -11.738 1.00 0.70 H new ATOM 0 HG2 LYS A 105 -1.310 -1.993 -12.017 1.00 0.94 H new ATOM 0 HG3 LYS A 105 -2.301 -1.212 -13.233 1.00 0.94 H new ATOM 0 HD2 LYS A 105 0.482 -0.217 -12.537 1.00 1.55 H new ATOM 0 HD3 LYS A 105 0.211 -1.463 -13.740 1.00 1.55 H new ATOM 0 HE2 LYS A 105 -1.108 1.279 -13.830 1.00 1.97 H new ATOM 0 HE3 LYS A 105 0.391 0.898 -14.654 1.00 1.97 H new ATOM 0 HZ1 LYS A 105 -1.296 0.615 -16.234 1.00 2.09 H new ATOM 0 HZ2 LYS A 105 -0.894 -0.966 -15.765 1.00 2.09 H new ATOM 0 HZ3 LYS A 105 -2.304 -0.235 -15.164 1.00 2.09 H new ATOM 1676 N LYS A 106 0.554 -0.874 -8.971 1.00 0.46 N ATOM 1677 CA LYS A 106 1.898 -0.543 -8.512 1.00 0.44 C ATOM 1678 C LYS A 106 2.870 -0.605 -9.656 1.00 0.44 C ATOM 1679 O LYS A 106 3.936 -0.011 -9.604 1.00 0.46 O ATOM 1680 CB LYS A 106 2.392 -1.457 -7.385 1.00 0.51 C ATOM 1681 CG LYS A 106 3.034 -2.749 -7.874 1.00 0.81 C ATOM 1682 CD LYS A 106 4.066 -3.263 -6.886 1.00 1.11 C ATOM 1683 CE LYS A 106 4.907 -4.405 -7.457 1.00 1.02 C ATOM 1684 NZ LYS A 106 4.158 -5.676 -7.522 1.00 1.57 N ATOM 0 H LYS A 106 0.205 -1.782 -8.665 1.00 0.46 H new ATOM 0 HA LYS A 106 1.842 0.470 -8.113 1.00 0.44 H new ATOM 0 HB2 LYS A 106 3.114 -0.911 -6.778 1.00 0.51 H new ATOM 0 HB3 LYS A 106 1.552 -1.703 -6.736 1.00 0.51 H new ATOM 0 HG2 LYS A 106 2.264 -3.505 -8.025 1.00 0.81 H new ATOM 0 HG3 LYS A 106 3.507 -2.579 -8.841 1.00 0.81 H new ATOM 0 HD2 LYS A 106 4.723 -2.444 -6.593 1.00 1.11 H new ATOM 0 HD3 LYS A 106 3.561 -3.605 -5.983 1.00 1.11 H new ATOM 0 HE2 LYS A 106 5.249 -4.136 -8.456 1.00 1.02 H new ATOM 0 HE3 LYS A 106 5.796 -4.541 -6.841 1.00 1.02 H new ATOM 0 HZ1 LYS A 106 4.427 -6.194 -8.383 1.00 1.57 H new ATOM 0 HZ2 LYS A 106 4.381 -6.254 -6.687 1.00 1.57 H new ATOM 0 HZ3 LYS A 106 3.137 -5.477 -7.542 1.00 1.57 H new ATOM 1698 N ASN A 107 2.519 -1.344 -10.695 1.00 0.50 N ATOM 1699 CA ASN A 107 3.380 -1.377 -11.858 1.00 0.56 C ATOM 1700 C ASN A 107 3.344 -0.015 -12.561 1.00 0.60 C ATOM 1701 O ASN A 107 4.159 0.276 -13.434 1.00 0.70 O ATOM 1702 CB ASN A 107 2.912 -2.491 -12.800 1.00 0.67 C ATOM 1703 CG ASN A 107 3.823 -2.665 -14.001 1.00 1.47 C ATOM 1704 OD1 ASN A 107 5.029 -2.471 -13.910 1.00 2.40 O ATOM 1705 ND2 ASN A 107 3.250 -3.027 -15.133 1.00 1.84 N ATOM 0 H ASN A 107 1.673 -1.910 -10.756 1.00 0.50 H new ATOM 0 HA ASN A 107 4.408 -1.582 -11.558 1.00 0.56 H new ATOM 0 HB2 ASN A 107 2.862 -3.430 -12.249 1.00 0.67 H new ATOM 0 HB3 ASN A 107 1.902 -2.269 -13.145 1.00 0.67 H new ATOM 0 HD21 ASN A 107 3.815 -3.155 -15.973 1.00 1.84 H new ATOM 0 HD22 ASN A 107 2.242 -3.179 -15.169 1.00 1.84 H new ATOM 1712 N GLY A 108 2.408 0.821 -12.122 1.00 0.56 N ATOM 1713 CA GLY A 108 2.387 2.226 -12.471 1.00 0.65 C ATOM 1714 C GLY A 108 2.469 3.094 -11.229 1.00 0.60 C ATOM 1715 O GLY A 108 3.534 3.515 -10.803 1.00 0.71 O ATOM 0 H GLY A 108 1.642 0.536 -11.512 1.00 0.56 H new ATOM 0 HA2 GLY A 108 3.222 2.453 -13.134 1.00 0.65 H new ATOM 0 HA3 GLY A 108 1.473 2.455 -13.020 1.00 0.65 H new ATOM 1719 N SER A 109 1.296 3.260 -10.625 1.00 0.53 N ATOM 1720 CA SER A 109 1.066 4.080 -9.436 1.00 0.64 C ATOM 1721 C SER A 109 -0.200 3.554 -8.754 1.00 0.54 C ATOM 1722 O SER A 109 -1.071 3.003 -9.434 1.00 0.54 O ATOM 1723 CB SER A 109 0.885 5.551 -9.831 1.00 0.93 C ATOM 1724 OG SER A 109 0.734 6.375 -8.688 1.00 1.50 O ATOM 0 H SER A 109 0.445 2.810 -10.962 1.00 0.53 H new ATOM 0 HA SER A 109 1.918 4.021 -8.759 1.00 0.64 H new ATOM 0 HB2 SER A 109 1.746 5.883 -10.410 1.00 0.93 H new ATOM 0 HB3 SER A 109 0.010 5.653 -10.474 1.00 0.93 H new ATOM 0 HG SER A 109 0.622 7.307 -8.969 1.00 1.50 H new ATOM 1730 N CYS A 110 -0.347 3.708 -7.441 1.00 0.76 N ATOM 1731 CA CYS A 110 -1.467 3.048 -6.778 1.00 0.82 C ATOM 1732 C CYS A 110 -2.670 3.985 -6.696 1.00 0.66 C ATOM 1733 O CYS A 110 -2.730 4.836 -5.853 1.00 1.17 O ATOM 1734 CB CYS A 110 -0.986 2.676 -5.364 1.00 1.35 C ATOM 1735 SG CYS A 110 -2.258 2.082 -4.227 1.00 2.32 S ATOM 0 H CYS A 110 0.265 4.258 -6.838 1.00 0.76 H new ATOM 0 HA CYS A 110 -1.780 2.164 -7.334 1.00 0.82 H new ATOM 0 HB2 CYS A 110 -0.218 1.907 -5.453 1.00 1.35 H new ATOM 0 HB3 CYS A 110 -0.511 3.551 -4.921 1.00 1.35 H new ATOM 0 HG CYS A 110 -3.330 1.777 -4.896 1.00 2.32 H new ATOM 1741 N LYS A 111 -3.614 3.817 -7.615 1.00 0.72 N ATOM 1742 CA LYS A 111 -4.883 4.536 -7.613 1.00 1.00 C ATOM 1743 C LYS A 111 -6.023 3.596 -7.978 1.00 0.75 C ATOM 1744 O LYS A 111 -6.087 3.209 -9.145 1.00 1.56 O ATOM 1745 CB LYS A 111 -4.840 5.711 -8.596 1.00 2.13 C ATOM 1746 CG LYS A 111 -3.634 5.734 -9.543 1.00 2.53 C ATOM 1747 CD LYS A 111 -3.585 4.528 -10.480 1.00 2.18 C ATOM 1748 CE LYS A 111 -2.666 4.786 -11.661 1.00 3.01 C ATOM 1749 NZ LYS A 111 -3.040 6.019 -12.400 1.00 3.59 N ATOM 0 H LYS A 111 -3.518 3.167 -8.395 1.00 0.72 H new ATOM 0 HA LYS A 111 -5.052 4.927 -6.610 1.00 1.00 H new ATOM 0 HB2 LYS A 111 -5.750 5.695 -9.195 1.00 2.13 H new ATOM 0 HB3 LYS A 111 -4.850 6.640 -8.026 1.00 2.13 H new ATOM 0 HG2 LYS A 111 -3.663 6.647 -10.137 1.00 2.53 H new ATOM 0 HG3 LYS A 111 -2.717 5.766 -8.954 1.00 2.53 H new ATOM 0 HD2 LYS A 111 -3.239 3.652 -9.931 1.00 2.18 H new ATOM 0 HD3 LYS A 111 -4.589 4.303 -10.840 1.00 2.18 H new ATOM 0 HE2 LYS A 111 -1.638 4.873 -11.308 1.00 3.01 H new ATOM 0 HE3 LYS A 111 -2.699 3.933 -12.339 1.00 3.01 H new ATOM 0 HZ1 LYS A 111 -2.693 5.956 -13.378 1.00 3.59 H new ATOM 0 HZ2 LYS A 111 -4.075 6.120 -12.406 1.00 3.59 H new ATOM 0 HZ3 LYS A 111 -2.614 6.846 -11.934 1.00 3.59 H new ATOM 1763 N ARG A 112 -6.936 3.225 -7.099 1.00 0.95 N ATOM 1764 CA ARG A 112 -8.087 2.457 -7.590 1.00 1.36 C ATOM 1765 C ARG A 112 -9.422 2.801 -6.927 1.00 1.14 C ATOM 1766 O ARG A 112 -9.747 2.251 -5.891 1.00 1.79 O ATOM 1767 CB ARG A 112 -7.835 0.963 -7.487 1.00 2.63 C ATOM 1768 CG ARG A 112 -6.738 0.481 -8.409 1.00 3.07 C ATOM 1769 CD ARG A 112 -7.181 0.479 -9.862 1.00 4.09 C ATOM 1770 NE ARG A 112 -6.206 -0.185 -10.722 1.00 4.81 N ATOM 1771 CZ ARG A 112 -6.298 -0.234 -12.050 1.00 5.78 C ATOM 1772 NH1 ARG A 112 -7.254 0.438 -12.679 1.00 6.20 N ATOM 1773 NH2 ARG A 112 -5.409 -0.925 -12.751 1.00 6.59 N ATOM 0 H ARG A 112 -6.919 3.423 -6.098 1.00 0.95 H new ATOM 0 HA ARG A 112 -8.184 2.752 -8.635 1.00 1.36 H new ATOM 0 HB2 ARG A 112 -7.572 0.715 -6.459 1.00 2.63 H new ATOM 0 HB3 ARG A 112 -8.756 0.428 -7.718 1.00 2.63 H new ATOM 0 HG2 ARG A 112 -5.862 1.120 -8.297 1.00 3.07 H new ATOM 0 HG3 ARG A 112 -6.437 -0.526 -8.120 1.00 3.07 H new ATOM 0 HD2 ARG A 112 -8.144 -0.024 -9.948 1.00 4.09 H new ATOM 0 HD3 ARG A 112 -7.325 1.505 -10.200 1.00 4.09 H new ATOM 0 HE ARG A 112 -5.407 -0.638 -10.280 1.00 4.81 H new ATOM 0 HH11 ARG A 112 -7.922 0.995 -12.145 1.00 6.20 H new ATOM 0 HH12 ARG A 112 -7.321 0.398 -13.696 1.00 6.20 H new ATOM 0 HH21 ARG A 112 -4.655 -1.419 -12.273 1.00 6.59 H new ATOM 0 HH22 ARG A 112 -5.479 -0.963 -13.768 1.00 6.59 H new ATOM 1787 N GLY A 113 -10.205 3.678 -7.516 1.00 0.81 N ATOM 1788 CA GLY A 113 -11.605 3.754 -7.131 1.00 0.76 C ATOM 1789 C GLY A 113 -12.505 2.878 -7.995 1.00 0.77 C ATOM 1790 O GLY A 113 -13.085 1.914 -7.502 1.00 0.80 O ATOM 0 H GLY A 113 -9.913 4.332 -8.242 1.00 0.81 H new ATOM 0 HA2 GLY A 113 -11.707 3.454 -6.088 1.00 0.76 H new ATOM 0 HA3 GLY A 113 -11.940 4.789 -7.199 1.00 0.76 H new ATOM 1794 N PRO A 114 -12.628 3.174 -9.304 1.00 0.90 N ATOM 1795 CA PRO A 114 -13.567 2.470 -10.194 1.00 1.07 C ATOM 1796 C PRO A 114 -13.254 0.981 -10.405 1.00 0.90 C ATOM 1797 O PRO A 114 -14.024 0.274 -11.053 1.00 1.05 O ATOM 1798 CB PRO A 114 -13.439 3.220 -11.527 1.00 1.40 C ATOM 1799 CG PRO A 114 -12.792 4.519 -11.187 1.00 1.38 C ATOM 1800 CD PRO A 114 -11.900 4.234 -10.017 1.00 1.03 C ATOM 0 HA PRO A 114 -14.567 2.473 -9.760 1.00 1.07 H new ATOM 0 HB2 PRO A 114 -12.838 2.656 -12.240 1.00 1.40 H new ATOM 0 HB3 PRO A 114 -14.415 3.375 -11.986 1.00 1.40 H new ATOM 0 HG2 PRO A 114 -12.220 4.904 -12.031 1.00 1.38 H new ATOM 0 HG3 PRO A 114 -13.537 5.274 -10.936 1.00 1.38 H new ATOM 0 HD2 PRO A 114 -10.911 3.903 -10.333 1.00 1.03 H new ATOM 0 HD3 PRO A 114 -11.756 5.116 -9.393 1.00 1.03 H new ATOM 1808 N ARG A 115 -12.128 0.493 -9.884 1.00 0.72 N ATOM 1809 CA ARG A 115 -11.774 -0.900 -10.066 1.00 0.74 C ATOM 1810 C ARG A 115 -11.612 -1.625 -8.734 1.00 0.69 C ATOM 1811 O ARG A 115 -11.422 -2.842 -8.723 1.00 0.86 O ATOM 1812 CB ARG A 115 -10.495 -1.046 -10.903 1.00 0.96 C ATOM 1813 CG ARG A 115 -10.692 -0.782 -12.391 1.00 1.39 C ATOM 1814 CD ARG A 115 -10.826 0.700 -12.701 1.00 1.63 C ATOM 1815 NE ARG A 115 -11.328 0.938 -14.049 1.00 1.81 N ATOM 1816 CZ ARG A 115 -11.210 2.091 -14.702 1.00 2.32 C ATOM 1817 NH1 ARG A 115 -10.554 3.107 -14.153 1.00 2.92 N ATOM 1818 NH2 ARG A 115 -11.739 2.215 -15.911 1.00 2.62 N ATOM 0 H ARG A 115 -11.459 1.039 -9.341 1.00 0.72 H new ATOM 0 HA ARG A 115 -12.600 -1.365 -10.605 1.00 0.74 H new ATOM 0 HB2 ARG A 115 -9.742 -0.358 -10.519 1.00 0.96 H new ATOM 0 HB3 ARG A 115 -10.101 -2.054 -10.773 1.00 0.96 H new ATOM 0 HG2 ARG A 115 -9.848 -1.192 -12.945 1.00 1.39 H new ATOM 0 HG3 ARG A 115 -11.584 -1.305 -12.736 1.00 1.39 H new ATOM 0 HD2 ARG A 115 -11.499 1.161 -11.978 1.00 1.63 H new ATOM 0 HD3 ARG A 115 -9.855 1.183 -12.586 1.00 1.63 H new ATOM 0 HE ARG A 115 -11.801 0.169 -14.523 1.00 1.81 H new ATOM 0 HH11 ARG A 115 -10.138 3.005 -13.227 1.00 2.92 H new ATOM 0 HH12 ARG A 115 -10.466 3.989 -14.657 1.00 2.92 H new ATOM 0 HH21 ARG A 115 -12.233 1.429 -16.335 1.00 2.62 H new ATOM 0 HH22 ARG A 115 -11.652 3.096 -16.418 1.00 2.62 H new ATOM 1832 N THR A 116 -11.678 -0.907 -7.607 1.00 0.61 N ATOM 1833 CA THR A 116 -11.567 -1.570 -6.321 1.00 0.75 C ATOM 1834 C THR A 116 -12.827 -2.332 -5.943 1.00 0.85 C ATOM 1835 O THR A 116 -13.846 -1.780 -5.529 1.00 1.23 O ATOM 1836 CB THR A 116 -11.153 -0.618 -5.223 1.00 0.93 C ATOM 1837 OG1 THR A 116 -11.769 0.657 -5.416 1.00 0.93 O ATOM 1838 CG2 THR A 116 -9.643 -0.500 -5.223 1.00 1.13 C ATOM 0 H THR A 116 -11.804 0.104 -7.566 1.00 0.61 H new ATOM 0 HA THR A 116 -10.772 -2.307 -6.433 1.00 0.75 H new ATOM 0 HB THR A 116 -11.481 -1.000 -4.256 1.00 0.93 H new ATOM 0 HG1 THR A 116 -11.095 1.305 -5.711 1.00 0.93 H new ATOM 0 HG21 THR A 116 -9.332 0.185 -4.434 1.00 1.13 H new ATOM 0 HG22 THR A 116 -9.201 -1.481 -5.047 1.00 1.13 H new ATOM 0 HG23 THR A 116 -9.308 -0.119 -6.188 1.00 1.13 H new ATOM 1846 N HIS A 117 -12.672 -3.622 -6.101 1.00 0.70 N ATOM 1847 CA HIS A 117 -13.693 -4.645 -6.024 1.00 0.77 C ATOM 1848 C HIS A 117 -13.065 -5.729 -6.853 1.00 0.68 C ATOM 1849 O HIS A 117 -11.930 -5.518 -7.311 1.00 0.61 O ATOM 1850 CB HIS A 117 -15.075 -4.206 -6.573 1.00 0.89 C ATOM 1851 CG HIS A 117 -15.093 -3.707 -7.993 1.00 1.23 C ATOM 1852 ND1 HIS A 117 -15.156 -2.368 -8.320 1.00 1.92 N ATOM 1853 CD2 HIS A 117 -15.098 -4.377 -9.172 1.00 2.10 C ATOM 1854 CE1 HIS A 117 -15.200 -2.239 -9.633 1.00 2.75 C ATOM 1855 NE2 HIS A 117 -15.164 -3.440 -10.171 1.00 2.85 N ATOM 0 H HIS A 117 -11.755 -4.020 -6.303 1.00 0.70 H new ATOM 0 HA HIS A 117 -13.940 -4.931 -5.002 1.00 0.77 H new ATOM 0 HB2 HIS A 117 -15.759 -5.051 -6.497 1.00 0.89 H new ATOM 0 HB3 HIS A 117 -15.467 -3.420 -5.928 1.00 0.89 H new ATOM 0 HD2 HIS A 117 -15.058 -5.449 -9.300 1.00 2.10 H new ATOM 0 HE1 HIS A 117 -15.256 -1.306 -10.174 1.00 2.75 H new ATOM 0 HE2 HIS A 117 -15.182 -3.641 -11.171 1.00 2.85 H new ATOM 1864 N TYR A 118 -13.673 -6.863 -7.099 1.00 0.73 N ATOM 1865 CA TYR A 118 -12.938 -7.755 -7.952 1.00 0.69 C ATOM 1866 C TYR A 118 -13.249 -7.341 -9.377 1.00 0.68 C ATOM 1867 O TYR A 118 -14.131 -7.870 -10.053 1.00 0.77 O ATOM 1868 CB TYR A 118 -13.310 -9.215 -7.690 1.00 0.78 C ATOM 1869 CG TYR A 118 -12.121 -10.150 -7.759 1.00 1.42 C ATOM 1870 CD1 TYR A 118 -11.181 -10.172 -6.736 1.00 2.33 C ATOM 1871 CD2 TYR A 118 -11.936 -11.007 -8.836 1.00 1.90 C ATOM 1872 CE1 TYR A 118 -10.090 -11.018 -6.783 1.00 3.13 C ATOM 1873 CE2 TYR A 118 -10.846 -11.858 -8.890 1.00 2.72 C ATOM 1874 CZ TYR A 118 -9.927 -11.860 -7.862 1.00 3.19 C ATOM 1875 OH TYR A 118 -8.840 -12.706 -7.913 1.00 4.11 O ATOM 0 H TYR A 118 -14.585 -7.170 -6.759 1.00 0.73 H new ATOM 0 HA TYR A 118 -11.868 -7.687 -7.757 1.00 0.69 H new ATOM 0 HB2 TYR A 118 -13.772 -9.296 -6.706 1.00 0.78 H new ATOM 0 HB3 TYR A 118 -14.056 -9.531 -8.419 1.00 0.78 H new ATOM 0 HD1 TYR A 118 -11.306 -9.515 -5.888 1.00 2.33 H new ATOM 0 HD2 TYR A 118 -12.653 -11.009 -9.643 1.00 1.90 H new ATOM 0 HE1 TYR A 118 -9.369 -11.020 -5.979 1.00 3.13 H new ATOM 0 HE2 TYR A 118 -10.716 -12.518 -9.735 1.00 2.72 H new ATOM 0 HH TYR A 118 -8.874 -13.233 -8.738 1.00 4.11 H new ATOM 1885 N GLY A 119 -12.497 -6.316 -9.766 1.00 0.62 N ATOM 1886 CA GLY A 119 -12.429 -5.817 -11.113 1.00 0.65 C ATOM 1887 C GLY A 119 -11.083 -6.134 -11.695 1.00 0.65 C ATOM 1888 O GLY A 119 -10.938 -6.458 -12.872 1.00 0.73 O ATOM 0 H GLY A 119 -11.901 -5.799 -9.119 1.00 0.62 H new ATOM 0 HA2 GLY A 119 -13.215 -6.267 -11.719 1.00 0.65 H new ATOM 0 HA3 GLY A 119 -12.597 -4.740 -11.122 1.00 0.65 H new ATOM 1892 N GLN A 120 -10.094 -6.020 -10.816 1.00 0.60 N ATOM 1893 CA GLN A 120 -8.694 -6.109 -11.181 1.00 0.64 C ATOM 1894 C GLN A 120 -7.923 -6.892 -10.127 1.00 0.62 C ATOM 1895 O GLN A 120 -8.265 -6.860 -8.947 1.00 0.56 O ATOM 1896 CB GLN A 120 -8.111 -4.693 -11.311 1.00 0.67 C ATOM 1897 CG GLN A 120 -8.442 -4.017 -12.631 1.00 1.05 C ATOM 1898 CD GLN A 120 -7.744 -4.668 -13.807 1.00 1.50 C ATOM 1899 OE1 GLN A 120 -8.246 -5.622 -14.393 1.00 2.19 O ATOM 1900 NE2 GLN A 120 -6.589 -4.141 -14.176 1.00 2.13 N ATOM 0 H GLN A 120 -10.248 -5.862 -9.820 1.00 0.60 H new ATOM 0 HA GLN A 120 -8.605 -6.629 -12.135 1.00 0.64 H new ATOM 0 HB2 GLN A 120 -8.487 -4.078 -10.493 1.00 0.67 H new ATOM 0 HB3 GLN A 120 -7.028 -4.744 -11.200 1.00 0.67 H new ATOM 0 HG2 GLN A 120 -9.520 -4.047 -12.790 1.00 1.05 H new ATOM 0 HG3 GLN A 120 -8.156 -2.966 -12.579 1.00 1.05 H new ATOM 0 HE21 GLN A 120 -6.203 -3.348 -13.664 1.00 2.13 H new ATOM 0 HE22 GLN A 120 -6.083 -4.528 -14.973 1.00 2.13 H new ATOM 1909 N LYS A 121 -6.874 -7.586 -10.553 1.00 0.75 N ATOM 1910 CA LYS A 121 -6.024 -8.335 -9.628 1.00 0.78 C ATOM 1911 C LYS A 121 -4.966 -7.420 -9.040 1.00 0.70 C ATOM 1912 O LYS A 121 -3.998 -7.868 -8.426 1.00 0.75 O ATOM 1913 CB LYS A 121 -5.359 -9.513 -10.338 1.00 1.06 C ATOM 1914 CG LYS A 121 -6.323 -10.346 -11.168 1.00 1.43 C ATOM 1915 CD LYS A 121 -5.644 -11.569 -11.755 1.00 1.94 C ATOM 1916 CE LYS A 121 -5.295 -12.583 -10.680 1.00 2.28 C ATOM 1917 NZ LYS A 121 -4.662 -13.798 -11.254 1.00 2.85 N ATOM 0 H LYS A 121 -6.590 -7.647 -11.531 1.00 0.75 H new ATOM 0 HA LYS A 121 -6.649 -8.725 -8.824 1.00 0.78 H new ATOM 0 HB2 LYS A 121 -4.567 -9.136 -10.985 1.00 1.06 H new ATOM 0 HB3 LYS A 121 -4.885 -10.154 -9.595 1.00 1.06 H new ATOM 0 HG2 LYS A 121 -7.162 -10.659 -10.547 1.00 1.43 H new ATOM 0 HG3 LYS A 121 -6.732 -9.735 -11.973 1.00 1.43 H new ATOM 0 HD2 LYS A 121 -6.300 -12.031 -12.493 1.00 1.94 H new ATOM 0 HD3 LYS A 121 -4.737 -11.266 -12.279 1.00 1.94 H new ATOM 0 HE2 LYS A 121 -4.619 -12.128 -9.957 1.00 2.28 H new ATOM 0 HE3 LYS A 121 -6.198 -12.865 -10.139 1.00 2.28 H new ATOM 0 HZ1 LYS A 121 -4.438 -14.467 -10.490 1.00 2.85 H new ATOM 0 HZ2 LYS A 121 -5.317 -14.246 -11.926 1.00 2.85 H new ATOM 0 HZ3 LYS A 121 -3.787 -13.533 -11.749 1.00 2.85 H new ATOM 1931 N ALA A 122 -5.166 -6.130 -9.241 1.00 0.67 N ATOM 1932 CA ALA A 122 -4.311 -5.116 -8.660 1.00 0.72 C ATOM 1933 C ALA A 122 -4.782 -4.799 -7.245 1.00 0.54 C ATOM 1934 O ALA A 122 -4.279 -3.889 -6.589 1.00 0.59 O ATOM 1935 CB ALA A 122 -4.316 -3.877 -9.533 1.00 0.92 C ATOM 0 H ALA A 122 -5.925 -5.758 -9.811 1.00 0.67 H new ATOM 0 HA ALA A 122 -3.287 -5.485 -8.604 1.00 0.72 H new ATOM 0 HB1 ALA A 122 -3.671 -3.118 -9.091 1.00 0.92 H new ATOM 0 HB2 ALA A 122 -3.949 -4.131 -10.527 1.00 0.92 H new ATOM 0 HB3 ALA A 122 -5.332 -3.490 -9.610 1.00 0.92 H new ATOM 1941 N ILE A 123 -5.814 -5.518 -6.819 1.00 0.44 N ATOM 1942 CA ILE A 123 -6.255 -5.498 -5.436 1.00 0.44 C ATOM 1943 C ILE A 123 -5.585 -6.660 -4.665 1.00 0.40 C ATOM 1944 O ILE A 123 -5.793 -6.843 -3.467 1.00 0.49 O ATOM 1945 CB ILE A 123 -7.821 -5.557 -5.345 1.00 0.54 C ATOM 1946 CG1 ILE A 123 -8.457 -4.269 -5.895 1.00 0.83 C ATOM 1947 CG2 ILE A 123 -8.312 -5.774 -3.919 1.00 0.83 C ATOM 1948 CD1 ILE A 123 -8.413 -4.130 -7.404 1.00 1.37 C ATOM 0 H ILE A 123 -6.365 -6.128 -7.423 1.00 0.44 H new ATOM 0 HA ILE A 123 -5.950 -4.560 -4.973 1.00 0.44 H new ATOM 0 HB ILE A 123 -8.126 -6.410 -5.951 1.00 0.54 H new ATOM 0 HG12 ILE A 123 -9.497 -4.227 -5.571 1.00 0.83 H new ATOM 0 HG13 ILE A 123 -7.950 -3.412 -5.451 1.00 0.83 H new ATOM 0 HG21 ILE A 123 -9.401 -5.807 -3.910 1.00 0.83 H new ATOM 0 HG22 ILE A 123 -7.917 -6.716 -3.538 1.00 0.83 H new ATOM 0 HG23 ILE A 123 -7.969 -4.954 -3.287 1.00 0.83 H new ATOM 0 HD11 ILE A 123 -8.885 -3.192 -7.697 1.00 1.37 H new ATOM 0 HD12 ILE A 123 -7.376 -4.135 -7.740 1.00 1.37 H new ATOM 0 HD13 ILE A 123 -8.947 -4.963 -7.862 1.00 1.37 H new ATOM 1960 N LEU A 124 -4.736 -7.431 -5.352 1.00 0.38 N ATOM 1961 CA LEU A 124 -4.099 -8.583 -4.718 1.00 0.43 C ATOM 1962 C LEU A 124 -2.674 -8.239 -4.305 1.00 0.37 C ATOM 1963 O LEU A 124 -1.757 -8.227 -5.133 1.00 0.46 O ATOM 1964 CB LEU A 124 -4.123 -9.789 -5.658 1.00 0.63 C ATOM 1965 CG LEU A 124 -5.525 -10.272 -6.038 1.00 1.21 C ATOM 1966 CD1 LEU A 124 -5.448 -11.418 -7.033 1.00 1.77 C ATOM 1967 CD2 LEU A 124 -6.296 -10.698 -4.797 1.00 1.83 C ATOM 0 H LEU A 124 -4.479 -7.281 -6.328 1.00 0.38 H new ATOM 0 HA LEU A 124 -4.658 -8.844 -3.820 1.00 0.43 H new ATOM 0 HB2 LEU A 124 -3.581 -9.534 -6.569 1.00 0.63 H new ATOM 0 HB3 LEU A 124 -3.585 -10.611 -5.187 1.00 0.63 H new ATOM 0 HG LEU A 124 -6.055 -9.444 -6.509 1.00 1.21 H new ATOM 0 HD11 LEU A 124 -6.456 -11.746 -7.289 1.00 1.77 H new ATOM 0 HD12 LEU A 124 -4.935 -11.083 -7.935 1.00 1.77 H new ATOM 0 HD13 LEU A 124 -4.898 -12.248 -6.590 1.00 1.77 H new ATOM 0 HD21 LEU A 124 -7.290 -11.038 -5.086 1.00 1.83 H new ATOM 0 HD22 LEU A 124 -5.765 -11.509 -4.299 1.00 1.83 H new ATOM 0 HD23 LEU A 124 -6.386 -9.852 -4.116 1.00 1.83 H new ATOM 1979 N PHE A 125 -2.487 -7.988 -3.016 1.00 0.37 N ATOM 1980 CA PHE A 125 -1.248 -7.423 -2.519 1.00 0.45 C ATOM 1981 C PHE A 125 -0.305 -8.488 -1.990 1.00 0.36 C ATOM 1982 O PHE A 125 -0.730 -9.509 -1.449 1.00 0.51 O ATOM 1983 CB PHE A 125 -1.539 -6.441 -1.385 1.00 0.81 C ATOM 1984 CG PHE A 125 -2.349 -5.245 -1.781 1.00 0.60 C ATOM 1985 CD1 PHE A 125 -3.732 -5.298 -1.785 1.00 1.05 C ATOM 1986 CD2 PHE A 125 -1.726 -4.063 -2.134 1.00 1.00 C ATOM 1987 CE1 PHE A 125 -4.479 -4.193 -2.134 1.00 1.18 C ATOM 1988 CE2 PHE A 125 -2.469 -2.955 -2.487 1.00 1.05 C ATOM 1989 CZ PHE A 125 -3.846 -3.019 -2.487 1.00 0.85 C ATOM 0 H PHE A 125 -3.185 -8.170 -2.295 1.00 0.37 H new ATOM 0 HA PHE A 125 -0.772 -6.918 -3.360 1.00 0.45 H new ATOM 0 HB2 PHE A 125 -2.064 -6.971 -0.590 1.00 0.81 H new ATOM 0 HB3 PHE A 125 -0.592 -6.099 -0.968 1.00 0.81 H new ATOM 0 HD1 PHE A 125 -4.232 -6.216 -1.512 1.00 1.05 H new ATOM 0 HD2 PHE A 125 -0.648 -4.006 -2.134 1.00 1.00 H new ATOM 0 HE1 PHE A 125 -5.558 -4.246 -2.131 1.00 1.18 H new ATOM 0 HE2 PHE A 125 -1.971 -2.037 -2.763 1.00 1.05 H new ATOM 0 HZ PHE A 125 -4.428 -2.152 -2.763 1.00 0.85 H new ATOM 1999 N LEU A 126 0.977 -8.213 -2.127 1.00 0.36 N ATOM 2000 CA LEU A 126 2.022 -9.068 -1.600 1.00 0.49 C ATOM 2001 C LEU A 126 2.974 -8.202 -0.785 1.00 0.48 C ATOM 2002 O LEU A 126 3.416 -7.146 -1.252 1.00 0.49 O ATOM 2003 CB LEU A 126 2.770 -9.766 -2.742 1.00 0.68 C ATOM 2004 CG LEU A 126 3.805 -10.808 -2.313 1.00 1.22 C ATOM 2005 CD1 LEU A 126 3.126 -11.995 -1.650 1.00 1.98 C ATOM 2006 CD2 LEU A 126 4.632 -11.262 -3.505 1.00 1.96 C ATOM 0 H LEU A 126 1.325 -7.385 -2.610 1.00 0.36 H new ATOM 0 HA LEU A 126 1.590 -9.844 -0.968 1.00 0.49 H new ATOM 0 HB2 LEU A 126 2.039 -10.251 -3.389 1.00 0.68 H new ATOM 0 HB3 LEU A 126 3.272 -9.007 -3.342 1.00 0.68 H new ATOM 0 HG LEU A 126 4.475 -10.347 -1.587 1.00 1.22 H new ATOM 0 HD11 LEU A 126 3.879 -12.725 -1.352 1.00 1.98 H new ATOM 0 HD12 LEU A 126 2.580 -11.657 -0.769 1.00 1.98 H new ATOM 0 HD13 LEU A 126 2.432 -12.456 -2.352 1.00 1.98 H new ATOM 0 HD21 LEU A 126 5.362 -12.003 -3.180 1.00 1.96 H new ATOM 0 HD22 LEU A 126 3.977 -11.704 -4.256 1.00 1.96 H new ATOM 0 HD23 LEU A 126 5.151 -10.405 -3.935 1.00 1.96 H new ATOM 2018 N PRO A 127 3.287 -8.606 0.447 1.00 0.54 N ATOM 2019 CA PRO A 127 4.109 -7.821 1.339 1.00 0.55 C ATOM 2020 C PRO A 127 5.530 -8.354 1.469 1.00 0.53 C ATOM 2021 O PRO A 127 5.765 -9.448 1.988 1.00 0.66 O ATOM 2022 CB PRO A 127 3.360 -8.005 2.655 1.00 0.72 C ATOM 2023 CG PRO A 127 2.800 -9.402 2.586 1.00 0.81 C ATOM 2024 CD PRO A 127 2.792 -9.812 1.125 1.00 0.68 C ATOM 0 HA PRO A 127 4.238 -6.792 1.003 1.00 0.55 H new ATOM 0 HB2 PRO A 127 4.027 -7.888 3.509 1.00 0.72 H new ATOM 0 HB3 PRO A 127 2.567 -7.266 2.766 1.00 0.72 H new ATOM 0 HG2 PRO A 127 3.407 -10.089 3.175 1.00 0.81 H new ATOM 0 HG3 PRO A 127 1.792 -9.433 3.000 1.00 0.81 H new ATOM 0 HD2 PRO A 127 3.436 -10.672 0.943 1.00 0.68 H new ATOM 0 HD3 PRO A 127 1.792 -10.085 0.787 1.00 0.68 H new ATOM 2032 N LEU A 128 6.479 -7.576 0.993 1.00 0.44 N ATOM 2033 CA LEU A 128 7.873 -7.959 1.072 1.00 0.46 C ATOM 2034 C LEU A 128 8.634 -6.973 1.944 1.00 0.39 C ATOM 2035 O LEU A 128 8.761 -5.806 1.591 1.00 0.39 O ATOM 2036 CB LEU A 128 8.494 -8.009 -0.328 1.00 0.56 C ATOM 2037 CG LEU A 128 7.839 -8.991 -1.299 1.00 0.98 C ATOM 2038 CD1 LEU A 128 8.474 -8.880 -2.677 1.00 1.34 C ATOM 2039 CD2 LEU A 128 7.949 -10.416 -0.777 1.00 1.47 C ATOM 0 H LEU A 128 6.311 -6.674 0.547 1.00 0.44 H new ATOM 0 HA LEU A 128 7.937 -8.952 1.517 1.00 0.46 H new ATOM 0 HB2 LEU A 128 8.450 -7.010 -0.763 1.00 0.56 H new ATOM 0 HB3 LEU A 128 9.548 -8.269 -0.231 1.00 0.56 H new ATOM 0 HG LEU A 128 6.782 -8.737 -1.382 1.00 0.98 H new ATOM 0 HD11 LEU A 128 7.996 -9.586 -3.356 1.00 1.34 H new ATOM 0 HD12 LEU A 128 8.344 -7.867 -3.057 1.00 1.34 H new ATOM 0 HD13 LEU A 128 9.538 -9.108 -2.607 1.00 1.34 H new ATOM 0 HD21 LEU A 128 7.477 -11.099 -1.483 1.00 1.47 H new ATOM 0 HD22 LEU A 128 9.000 -10.682 -0.663 1.00 1.47 H new ATOM 0 HD23 LEU A 128 7.449 -10.489 0.189 1.00 1.47 H new ATOM 2051 N PRO A 129 9.122 -7.412 3.106 1.00 0.41 N ATOM 2052 CA PRO A 129 9.958 -6.576 3.945 1.00 0.40 C ATOM 2053 C PRO A 129 11.412 -6.650 3.497 1.00 0.48 C ATOM 2054 O PRO A 129 11.887 -7.700 3.051 1.00 0.55 O ATOM 2055 CB PRO A 129 9.767 -7.175 5.336 1.00 0.48 C ATOM 2056 CG PRO A 129 9.440 -8.618 5.105 1.00 0.68 C ATOM 2057 CD PRO A 129 8.879 -8.736 3.705 1.00 0.53 C ATOM 0 HA PRO A 129 9.695 -5.519 3.905 1.00 0.40 H new ATOM 0 HB2 PRO A 129 10.670 -7.068 5.937 1.00 0.48 H new ATOM 0 HB3 PRO A 129 8.964 -6.671 5.874 1.00 0.48 H new ATOM 0 HG2 PRO A 129 10.331 -9.236 5.215 1.00 0.68 H new ATOM 0 HG3 PRO A 129 8.716 -8.970 5.840 1.00 0.68 H new ATOM 0 HD2 PRO A 129 9.377 -9.525 3.142 1.00 0.53 H new ATOM 0 HD3 PRO A 129 7.816 -8.977 3.721 1.00 0.53 H new ATOM 2065 N VAL A 130 12.109 -5.533 3.611 1.00 0.56 N ATOM 2066 CA VAL A 130 13.446 -5.409 3.058 1.00 0.76 C ATOM 2067 C VAL A 130 14.449 -6.116 3.948 1.00 0.97 C ATOM 2068 O VAL A 130 14.249 -6.241 5.157 1.00 1.03 O ATOM 2069 CB VAL A 130 13.861 -3.929 2.903 1.00 0.93 C ATOM 2070 CG1 VAL A 130 15.080 -3.793 2.000 1.00 1.43 C ATOM 2071 CG2 VAL A 130 12.708 -3.096 2.373 1.00 1.36 C ATOM 0 H VAL A 130 11.769 -4.695 4.084 1.00 0.56 H new ATOM 0 HA VAL A 130 13.435 -5.871 2.071 1.00 0.76 H new ATOM 0 HB VAL A 130 14.128 -3.554 3.891 1.00 0.93 H new ATOM 0 HG11 VAL A 130 15.350 -2.741 1.909 1.00 1.43 H new ATOM 0 HG12 VAL A 130 15.915 -4.346 2.430 1.00 1.43 H new ATOM 0 HG13 VAL A 130 14.849 -4.195 1.014 1.00 1.43 H new ATOM 0 HG21 VAL A 130 13.025 -2.058 2.273 1.00 1.36 H new ATOM 0 HG22 VAL A 130 12.401 -3.477 1.399 1.00 1.36 H new ATOM 0 HG23 VAL A 130 11.869 -3.154 3.066 1.00 1.36 H new