USER MOD reduce.3.24.130724 H: found=0, std=0, add=967, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 966 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 96 ASN : amide:sc= -0.071 K(o=1.2,f=-1.4) USER MOD Set 1.2: A 115 SER OG : rot -23:sc= 1.23 USER MOD Set 2.1: A 97 TYR OH : rot 180:sc= 0.325 USER MOD Set 2.2: A 112 SER OG : rot -141:sc= 0.339 USER MOD Set 3.1: A 52 HIS : no HD1:sc= 1.15 K(o=2,f=-2.7!) USER MOD Set 3.2: A 58 THR OG1 : rot 23:sc= 0.851 USER MOD Set 4.1: A 38 THR OG1 : rot -110:sc= 0.0543 USER MOD Set 4.2: A 51 GLN :FLIP amide:sc= -1.22 F(o=-2.1!,f=-1.2) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.733 USER MOD Single : A 5 LYS NZ :NH3+ -149:sc= 1.19 (180deg=0.974) USER MOD Single : A 6 TYR OH : rot 11:sc= 0.74 USER MOD Single : A 10 SER OG : rot 9:sc= 0.462 USER MOD Single : A 13 ASN : amide:sc= 0.957 K(o=0.96,f=-0.87) USER MOD Single : A 14 TYR OH : rot -132:sc= 1.23 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -155:sc= 1.21 (180deg=1.18) USER MOD Single : A 30 MET CE :methyl -121:sc= -0.57 (180deg=-1.94!) USER MOD Single : A 33 ASN : amide:sc= -0.0305 K(o=-0.03,f=-0.91) USER MOD Single : A 34 CYS SG : rot 149:sc= 1.31 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0.29) USER MOD Single : A 43 ASN : amide:sc= -0.0899 X(o=-0.09,f=-0.37) USER MOD Single : A 45 ASN :FLIP amide:sc= -0.27 F(o=-0.97,f=-0.27) USER MOD Single : A 48 THR OG1 : rot -118:sc= -1.65! USER MOD Single : A 50 THR OG1 : rot 80:sc= 0.368 USER MOD Single : A 59 THR OG1 : rot -120:sc= -0.14 USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.997 USER MOD Single : A 61 ASN :FLIP amide:sc= -0.294 F(o=-0.87,f=-0.29) USER MOD Single : A 62 SER OG : rot 19:sc= 0.195 USER MOD Single : A 64 THR OG1 : rot 3:sc= 1.09 USER MOD Single : A 67 LYS NZ :NH3+ -135:sc= 0.123 (180deg=0) USER MOD Single : A 71 MET CE :methyl -171:sc= -2.09 (180deg=-2.57) USER MOD Single : A 73 THR OG1 : rot 150:sc= -0.625 USER MOD Single : A 74 MET CE :methyl -154:sc= -0.856 (180deg=-0.949) USER MOD Single : A 78 LYS NZ :NH3+ -149:sc= 0.174 (180deg=-0.689!) USER MOD Single : A 80 LYS NZ :NH3+ 140:sc= 2.33 (180deg=-0.984) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 148:sc= 1.26 (180deg=0.483) USER MOD Single : A 85 MET CE :methyl 177:sc= -0.704 (180deg=-0.75) USER MOD Single : A 89 LYS NZ :NH3+ 156:sc= 1.12 (180deg=-0.363!) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=-0.0012) USER MOD Single : A 99 HIS : no HE2:sc= -0.184 X(o=-0.18,f=-0.4) USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.404 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0291) USER MOD Single : A 113 THR OG1 : rot 180:sc= -0.102 USER MOD Single : A 114 SER OG : rot -128:sc= 1.77 USER MOD Single : A 119 TYR OH : rot 44:sc= 0.192 USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ -141:sc= 2.21 (180deg=-0.239) USER MOD Single : A 125 LYS NZ :NH3+ -147:sc= 0.856 (180deg=-0.118) USER MOD ----------------------------------------------------------------- ATOM 11 N PHE A 2 -12.433 -6.899 -3.112 1.00 0.35 N ATOM 12 CA PHE A 2 -11.223 -6.347 -2.511 1.00 0.27 C ATOM 13 C PHE A 2 -10.882 -7.044 -1.202 1.00 0.23 C ATOM 14 O PHE A 2 -9.741 -7.001 -0.754 1.00 0.25 O ATOM 15 CB PHE A 2 -11.367 -4.842 -2.283 1.00 0.33 C ATOM 16 CG PHE A 2 -11.068 -4.028 -3.511 1.00 0.31 C ATOM 17 CD1 PHE A 2 -12.034 -3.821 -4.480 1.00 1.22 C ATOM 18 CD2 PHE A 2 -9.812 -3.478 -3.698 1.00 1.24 C ATOM 19 CE1 PHE A 2 -11.754 -3.080 -5.612 1.00 1.23 C ATOM 20 CE2 PHE A 2 -9.523 -2.736 -4.825 1.00 1.24 C ATOM 21 CZ PHE A 2 -10.496 -2.537 -5.785 1.00 0.36 C ATOM 0 HA PHE A 2 -10.405 -6.520 -3.210 1.00 0.27 H new ATOM 0 HB2 PHE A 2 -12.382 -4.627 -1.950 1.00 0.33 H new ATOM 0 HB3 PHE A 2 -10.696 -4.536 -1.480 1.00 0.33 H new ATOM 0 HD1 PHE A 2 -13.019 -4.244 -4.350 1.00 1.22 H new ATOM 0 HD2 PHE A 2 -9.047 -3.632 -2.951 1.00 1.24 H new ATOM 0 HE1 PHE A 2 -12.517 -2.926 -6.360 1.00 1.23 H new ATOM 0 HE2 PHE A 2 -8.538 -2.312 -4.956 1.00 1.24 H new ATOM 0 HZ PHE A 2 -10.273 -1.958 -6.669 1.00 0.36 H new ATOM 31 N THR A 3 -11.871 -7.696 -0.603 1.00 0.20 N ATOM 32 CA THR A 3 -11.682 -8.398 0.660 1.00 0.19 C ATOM 33 C THR A 3 -10.747 -9.585 0.501 1.00 0.19 C ATOM 34 O THR A 3 -10.675 -10.188 -0.571 1.00 0.26 O ATOM 35 CB THR A 3 -13.023 -8.919 1.197 1.00 0.21 C ATOM 36 OG1 THR A 3 -14.083 -8.057 0.766 1.00 0.24 O ATOM 37 CG2 THR A 3 -13.004 -9.006 2.717 1.00 0.26 C ATOM 0 H THR A 3 -12.819 -7.753 -0.975 1.00 0.20 H new ATOM 0 HA THR A 3 -11.247 -7.682 1.357 1.00 0.19 H new ATOM 0 HB THR A 3 -13.188 -9.922 0.803 1.00 0.21 H new ATOM 0 HG1 THR A 3 -14.938 -8.393 1.109 1.00 0.24 H new ATOM 0 HG21 THR A 3 -13.965 -9.378 3.072 1.00 0.26 H new ATOM 0 HG22 THR A 3 -12.213 -9.686 3.033 1.00 0.26 H new ATOM 0 HG23 THR A 3 -12.820 -8.017 3.136 1.00 0.26 H new ATOM 45 N GLY A 4 -10.039 -9.923 1.569 1.00 0.19 N ATOM 46 CA GLY A 4 -9.135 -11.046 1.529 1.00 0.21 C ATOM 47 C GLY A 4 -7.731 -10.667 1.920 1.00 0.19 C ATOM 48 O GLY A 4 -7.438 -9.492 2.128 1.00 0.21 O ATOM 0 H GLY A 4 -10.077 -9.435 2.464 1.00 0.19 H new ATOM 0 HA2 GLY A 4 -9.498 -11.825 2.199 1.00 0.21 H new ATOM 0 HA3 GLY A 4 -9.128 -11.468 0.524 1.00 0.21 H new ATOM 52 N LYS A 5 -6.874 -11.660 2.067 1.00 0.20 N ATOM 53 CA LYS A 5 -5.486 -11.403 2.407 1.00 0.20 C ATOM 54 C LYS A 5 -4.656 -11.431 1.134 1.00 0.18 C ATOM 55 O LYS A 5 -4.953 -12.185 0.202 1.00 0.19 O ATOM 56 CB LYS A 5 -4.957 -12.428 3.417 1.00 0.23 C ATOM 57 CG LYS A 5 -4.152 -13.544 2.776 1.00 0.28 C ATOM 58 CD LYS A 5 -3.799 -14.641 3.762 1.00 0.31 C ATOM 59 CE LYS A 5 -2.589 -14.269 4.594 1.00 0.56 C ATOM 60 NZ LYS A 5 -1.637 -15.402 4.717 1.00 1.54 N ATOM 0 H LYS A 5 -7.112 -12.646 1.957 1.00 0.20 H new ATOM 0 HA LYS A 5 -5.412 -10.422 2.876 1.00 0.20 H new ATOM 0 HB2 LYS A 5 -4.335 -11.916 4.151 1.00 0.23 H new ATOM 0 HB3 LYS A 5 -5.798 -12.861 3.959 1.00 0.23 H new ATOM 0 HG2 LYS A 5 -4.721 -13.971 1.950 1.00 0.28 H new ATOM 0 HG3 LYS A 5 -3.236 -13.131 2.353 1.00 0.28 H new ATOM 0 HD2 LYS A 5 -4.649 -14.830 4.418 1.00 0.31 H new ATOM 0 HD3 LYS A 5 -3.601 -15.567 3.222 1.00 0.31 H new ATOM 0 HE2 LYS A 5 -2.083 -13.417 4.140 1.00 0.56 H new ATOM 0 HE3 LYS A 5 -2.912 -13.956 5.587 1.00 0.56 H new ATOM 0 HZ1 LYS A 5 -1.145 -15.345 5.632 1.00 1.54 H new ATOM 0 HZ2 LYS A 5 -2.157 -16.301 4.659 1.00 1.54 H new ATOM 0 HZ3 LYS A 5 -0.940 -15.355 3.946 1.00 1.54 H new ATOM 74 N TYR A 6 -3.634 -10.603 1.081 1.00 0.19 N ATOM 75 CA TYR A 6 -2.775 -10.544 -0.082 1.00 0.19 C ATOM 76 C TYR A 6 -1.324 -10.668 0.333 1.00 0.19 C ATOM 77 O TYR A 6 -0.916 -10.122 1.357 1.00 0.23 O ATOM 78 CB TYR A 6 -3.000 -9.246 -0.859 1.00 0.22 C ATOM 79 CG TYR A 6 -4.428 -9.058 -1.322 1.00 0.23 C ATOM 80 CD1 TYR A 6 -5.360 -8.422 -0.513 1.00 1.14 C ATOM 81 CD2 TYR A 6 -4.845 -9.525 -2.561 1.00 1.25 C ATOM 82 CE1 TYR A 6 -6.667 -8.257 -0.927 1.00 1.13 C ATOM 83 CE2 TYR A 6 -6.152 -9.359 -2.982 1.00 1.29 C ATOM 84 CZ TYR A 6 -7.056 -8.725 -2.161 1.00 0.35 C ATOM 85 OH TYR A 6 -8.356 -8.563 -2.573 1.00 0.44 O ATOM 0 H TYR A 6 -3.378 -9.961 1.831 1.00 0.19 H new ATOM 0 HA TYR A 6 -3.025 -11.379 -0.737 1.00 0.19 H new ATOM 0 HB2 TYR A 6 -2.716 -8.402 -0.230 1.00 0.22 H new ATOM 0 HB3 TYR A 6 -2.341 -9.233 -1.727 1.00 0.22 H new ATOM 0 HD1 TYR A 6 -5.058 -8.051 0.455 1.00 1.14 H new ATOM 0 HD2 TYR A 6 -4.138 -10.026 -3.206 1.00 1.25 H new ATOM 0 HE1 TYR A 6 -7.381 -7.763 -0.285 1.00 1.13 H new ATOM 0 HE2 TYR A 6 -6.461 -9.725 -3.950 1.00 1.29 H new ATOM 0 HH TYR A 6 -8.819 -7.953 -1.961 1.00 0.44 H new ATOM 95 N GLU A 7 -0.558 -11.403 -0.452 1.00 0.19 N ATOM 96 CA GLU A 7 0.854 -11.606 -0.172 1.00 0.21 C ATOM 97 C GLU A 7 1.689 -11.264 -1.395 1.00 0.19 C ATOM 98 O GLU A 7 1.183 -11.258 -2.520 1.00 0.22 O ATOM 99 CB GLU A 7 1.108 -13.045 0.275 1.00 0.26 C ATOM 100 CG GLU A 7 0.711 -13.301 1.718 1.00 0.33 C ATOM 101 CD GLU A 7 0.912 -14.745 2.140 1.00 0.59 C ATOM 102 OE1 GLU A 7 2.029 -15.267 1.976 1.00 1.20 O ATOM 103 OE2 GLU A 7 -0.052 -15.361 2.643 1.00 1.41 O ATOM 0 H GLU A 7 -0.891 -11.873 -1.294 1.00 0.19 H new ATOM 0 HA GLU A 7 1.149 -10.941 0.640 1.00 0.21 H new ATOM 0 HB2 GLU A 7 0.554 -13.723 -0.374 1.00 0.26 H new ATOM 0 HB3 GLU A 7 2.166 -13.277 0.149 1.00 0.26 H new ATOM 0 HG2 GLU A 7 1.296 -12.653 2.371 1.00 0.33 H new ATOM 0 HG3 GLU A 7 -0.336 -13.030 1.855 1.00 0.33 H new ATOM 110 N PHE A 8 2.964 -10.983 -1.156 1.00 0.23 N ATOM 111 CA PHE A 8 3.903 -10.617 -2.213 1.00 0.25 C ATOM 112 C PHE A 8 3.878 -11.623 -3.367 1.00 0.24 C ATOM 113 O PHE A 8 4.060 -12.831 -3.169 1.00 0.33 O ATOM 114 CB PHE A 8 5.323 -10.501 -1.637 1.00 0.33 C ATOM 115 CG PHE A 8 6.389 -10.299 -2.680 1.00 0.68 C ATOM 116 CD1 PHE A 8 6.283 -9.274 -3.611 1.00 1.55 C ATOM 117 CD2 PHE A 8 7.490 -11.136 -2.735 1.00 1.32 C ATOM 118 CE1 PHE A 8 7.257 -9.092 -4.573 1.00 1.86 C ATOM 119 CE2 PHE A 8 8.467 -10.958 -3.696 1.00 1.57 C ATOM 120 CZ PHE A 8 8.350 -9.934 -4.615 1.00 1.49 C ATOM 0 H PHE A 8 3.378 -11.002 -0.224 1.00 0.23 H new ATOM 0 HA PHE A 8 3.596 -9.651 -2.613 1.00 0.25 H new ATOM 0 HB2 PHE A 8 5.353 -9.668 -0.935 1.00 0.33 H new ATOM 0 HB3 PHE A 8 5.550 -11.404 -1.070 1.00 0.33 H new ATOM 0 HD1 PHE A 8 5.430 -8.612 -3.582 1.00 1.55 H new ATOM 0 HD2 PHE A 8 7.587 -11.938 -2.018 1.00 1.32 H new ATOM 0 HE1 PHE A 8 7.164 -8.291 -5.292 1.00 1.86 H new ATOM 0 HE2 PHE A 8 9.321 -11.619 -3.728 1.00 1.57 H new ATOM 0 HZ PHE A 8 9.113 -9.792 -5.366 1.00 1.49 H new ATOM 130 N GLU A 9 3.619 -11.121 -4.564 1.00 0.25 N ATOM 131 CA GLU A 9 3.586 -11.954 -5.756 1.00 0.26 C ATOM 132 C GLU A 9 4.563 -11.418 -6.789 1.00 0.28 C ATOM 133 O GLU A 9 5.420 -12.142 -7.290 1.00 0.34 O ATOM 134 CB GLU A 9 2.182 -11.988 -6.350 1.00 0.27 C ATOM 135 CG GLU A 9 2.063 -12.919 -7.542 1.00 0.35 C ATOM 136 CD GLU A 9 1.568 -14.293 -7.139 1.00 0.61 C ATOM 137 OE1 GLU A 9 2.288 -14.988 -6.388 1.00 1.19 O ATOM 138 OE2 GLU A 9 0.457 -14.679 -7.554 1.00 1.46 O ATOM 0 H GLU A 9 3.427 -10.134 -4.736 1.00 0.25 H new ATOM 0 HA GLU A 9 3.872 -12.968 -5.476 1.00 0.26 H new ATOM 0 HB2 GLU A 9 1.476 -12.300 -5.581 1.00 0.27 H new ATOM 0 HB3 GLU A 9 1.898 -10.980 -6.654 1.00 0.27 H new ATOM 0 HG2 GLU A 9 1.380 -12.487 -8.273 1.00 0.35 H new ATOM 0 HG3 GLU A 9 3.034 -13.011 -8.029 1.00 0.35 H new ATOM 145 N SER A 10 4.421 -10.140 -7.100 1.00 0.26 N ATOM 146 CA SER A 10 5.288 -9.487 -8.069 1.00 0.29 C ATOM 147 C SER A 10 5.408 -7.996 -7.774 1.00 0.27 C ATOM 148 O SER A 10 4.572 -7.427 -7.072 1.00 0.32 O ATOM 149 CB SER A 10 4.746 -9.706 -9.483 1.00 0.34 C ATOM 150 OG SER A 10 4.949 -11.044 -9.903 1.00 1.01 O ATOM 0 H SER A 10 3.710 -9.531 -6.694 1.00 0.26 H new ATOM 0 HA SER A 10 6.282 -9.927 -7.995 1.00 0.29 H new ATOM 0 HB2 SER A 10 3.682 -9.470 -9.509 1.00 0.34 H new ATOM 0 HB3 SER A 10 5.240 -9.025 -10.175 1.00 0.34 H new ATOM 0 HG SER A 10 5.259 -11.581 -9.144 1.00 1.01 H new ATOM 156 N ASP A 11 6.450 -7.370 -8.306 1.00 0.28 N ATOM 157 CA ASP A 11 6.679 -5.945 -8.108 1.00 0.28 C ATOM 158 C ASP A 11 7.472 -5.383 -9.273 1.00 0.28 C ATOM 159 O ASP A 11 8.161 -6.125 -9.977 1.00 0.34 O ATOM 160 CB ASP A 11 7.410 -5.664 -6.783 1.00 0.32 C ATOM 161 CG ASP A 11 8.883 -6.051 -6.803 1.00 0.97 C ATOM 162 OD1 ASP A 11 9.718 -5.242 -7.263 1.00 1.71 O ATOM 163 OD2 ASP A 11 9.216 -7.160 -6.341 1.00 1.72 O ATOM 0 H ASP A 11 7.154 -7.831 -8.882 1.00 0.28 H new ATOM 0 HA ASP A 11 5.707 -5.453 -8.058 1.00 0.28 H new ATOM 0 HB2 ASP A 11 7.325 -4.603 -6.549 1.00 0.32 H new ATOM 0 HB3 ASP A 11 6.911 -6.208 -5.981 1.00 0.32 H new ATOM 168 N GLU A 12 7.354 -4.086 -9.492 1.00 0.26 N ATOM 169 CA GLU A 12 8.060 -3.436 -10.575 1.00 0.27 C ATOM 170 C GLU A 12 8.424 -2.014 -10.183 1.00 0.25 C ATOM 171 O GLU A 12 7.636 -1.321 -9.534 1.00 0.26 O ATOM 172 CB GLU A 12 7.197 -3.450 -11.835 1.00 0.32 C ATOM 173 CG GLU A 12 7.694 -2.544 -12.951 1.00 0.38 C ATOM 174 CD GLU A 12 7.239 -3.002 -14.318 1.00 0.57 C ATOM 175 OE1 GLU A 12 6.120 -2.636 -14.738 1.00 1.00 O ATOM 176 OE2 GLU A 12 7.998 -3.734 -14.984 1.00 1.44 O ATOM 0 H GLU A 12 6.773 -3.463 -8.931 1.00 0.26 H new ATOM 0 HA GLU A 12 8.983 -3.978 -10.781 1.00 0.27 H new ATOM 0 HB2 GLU A 12 7.142 -4.472 -12.211 1.00 0.32 H new ATOM 0 HB3 GLU A 12 6.183 -3.154 -11.568 1.00 0.32 H new ATOM 0 HG2 GLU A 12 7.339 -1.529 -12.775 1.00 0.38 H new ATOM 0 HG3 GLU A 12 8.783 -2.509 -12.928 1.00 0.38 H new ATOM 183 N ASN A 13 9.626 -1.601 -10.576 1.00 0.25 N ATOM 184 CA ASN A 13 10.145 -0.262 -10.284 1.00 0.25 C ATOM 185 C ASN A 13 10.304 -0.053 -8.784 1.00 0.23 C ATOM 186 O ASN A 13 10.154 1.061 -8.286 1.00 0.30 O ATOM 187 CB ASN A 13 9.234 0.827 -10.872 1.00 0.29 C ATOM 188 CG ASN A 13 9.263 0.871 -12.385 1.00 0.45 C ATOM 189 OD1 ASN A 13 10.273 0.556 -13.016 1.00 0.51 O ATOM 190 ND2 ASN A 13 8.159 1.287 -12.980 1.00 0.84 N ATOM 0 H ASN A 13 10.272 -2.185 -11.108 1.00 0.25 H new ATOM 0 HA ASN A 13 11.126 -0.183 -10.753 1.00 0.25 H new ATOM 0 HB2 ASN A 13 8.210 0.655 -10.539 1.00 0.29 H new ATOM 0 HB3 ASN A 13 9.538 1.798 -10.480 1.00 0.29 H new ATOM 0 HD21 ASN A 13 8.123 1.356 -13.997 1.00 0.84 H new ATOM 0 HD22 ASN A 13 7.343 1.539 -12.422 1.00 0.84 H new ATOM 197 N TYR A 14 10.627 -1.123 -8.070 1.00 0.23 N ATOM 198 CA TYR A 14 10.801 -1.047 -6.624 1.00 0.25 C ATOM 199 C TYR A 14 11.966 -0.129 -6.262 1.00 0.23 C ATOM 200 O TYR A 14 11.793 0.838 -5.520 1.00 0.22 O ATOM 201 CB TYR A 14 11.032 -2.439 -6.024 1.00 0.32 C ATOM 202 CG TYR A 14 10.816 -2.495 -4.522 1.00 0.44 C ATOM 203 CD1 TYR A 14 11.747 -1.951 -3.643 1.00 1.28 C ATOM 204 CD2 TYR A 14 9.675 -3.081 -3.985 1.00 1.30 C ATOM 205 CE1 TYR A 14 11.547 -1.986 -2.277 1.00 1.39 C ATOM 206 CE2 TYR A 14 9.470 -3.122 -2.617 1.00 1.36 C ATOM 207 CZ TYR A 14 10.408 -2.571 -1.768 1.00 0.78 C ATOM 208 OH TYR A 14 10.200 -2.592 -0.408 1.00 0.98 O ATOM 0 H TYR A 14 10.774 -2.051 -8.466 1.00 0.23 H new ATOM 0 HA TYR A 14 9.884 -0.633 -6.205 1.00 0.25 H new ATOM 0 HB2 TYR A 14 10.361 -3.150 -6.506 1.00 0.32 H new ATOM 0 HB3 TYR A 14 12.050 -2.759 -6.249 1.00 0.32 H new ATOM 0 HD1 TYR A 14 12.643 -1.493 -4.036 1.00 1.28 H new ATOM 0 HD2 TYR A 14 8.937 -3.511 -4.646 1.00 1.30 H new ATOM 0 HE1 TYR A 14 12.280 -1.557 -1.610 1.00 1.39 H new ATOM 0 HE2 TYR A 14 8.580 -3.583 -2.216 1.00 1.36 H new ATOM 0 HH TYR A 14 9.941 -3.495 -0.131 1.00 0.98 H new ATOM 218 N ASP A 15 13.145 -0.431 -6.795 1.00 0.25 N ATOM 219 CA ASP A 15 14.341 0.361 -6.519 1.00 0.26 C ATOM 220 C ASP A 15 14.163 1.794 -6.995 1.00 0.25 C ATOM 221 O ASP A 15 14.556 2.737 -6.315 1.00 0.26 O ATOM 222 CB ASP A 15 15.563 -0.241 -7.202 1.00 0.33 C ATOM 223 CG ASP A 15 15.824 -1.674 -6.784 1.00 0.50 C ATOM 224 OD1 ASP A 15 15.218 -2.593 -7.375 1.00 1.18 O ATOM 225 OD2 ASP A 15 16.637 -1.890 -5.857 1.00 1.30 O ATOM 0 H ASP A 15 13.299 -1.220 -7.422 1.00 0.25 H new ATOM 0 HA ASP A 15 14.493 0.355 -5.440 1.00 0.26 H new ATOM 0 HB2 ASP A 15 15.425 -0.202 -8.283 1.00 0.33 H new ATOM 0 HB3 ASP A 15 16.439 0.365 -6.970 1.00 0.33 H new ATOM 230 N ASP A 16 13.563 1.943 -8.169 1.00 0.25 N ATOM 231 CA ASP A 16 13.317 3.258 -8.752 1.00 0.26 C ATOM 232 C ASP A 16 12.452 4.094 -7.825 1.00 0.25 C ATOM 233 O ASP A 16 12.736 5.265 -7.574 1.00 0.29 O ATOM 234 CB ASP A 16 12.612 3.119 -10.101 1.00 0.29 C ATOM 235 CG ASP A 16 13.321 2.164 -11.030 1.00 0.72 C ATOM 236 OD1 ASP A 16 13.165 0.938 -10.854 1.00 1.20 O ATOM 237 OD2 ASP A 16 14.037 2.629 -11.940 1.00 1.46 O ATOM 0 H ASP A 16 13.235 1.164 -8.740 1.00 0.25 H new ATOM 0 HA ASP A 16 14.279 3.751 -8.894 1.00 0.26 H new ATOM 0 HB2 ASP A 16 11.591 2.773 -9.939 1.00 0.29 H new ATOM 0 HB3 ASP A 16 12.545 4.098 -10.575 1.00 0.29 H new ATOM 242 N PHE A 17 11.395 3.464 -7.325 1.00 0.21 N ATOM 243 CA PHE A 17 10.454 4.104 -6.417 1.00 0.21 C ATOM 244 C PHE A 17 11.134 4.541 -5.126 1.00 0.20 C ATOM 245 O PHE A 17 11.105 5.718 -4.762 1.00 0.23 O ATOM 246 CB PHE A 17 9.323 3.125 -6.100 1.00 0.21 C ATOM 247 CG PHE A 17 8.259 3.672 -5.196 1.00 0.24 C ATOM 248 CD1 PHE A 17 7.363 4.626 -5.648 1.00 1.22 C ATOM 249 CD2 PHE A 17 8.143 3.208 -3.897 1.00 1.17 C ATOM 250 CE1 PHE A 17 6.369 5.112 -4.819 1.00 1.24 C ATOM 251 CE2 PHE A 17 7.156 3.692 -3.062 1.00 1.19 C ATOM 252 CZ PHE A 17 6.267 4.645 -3.523 1.00 0.38 C ATOM 0 H PHE A 17 11.167 2.493 -7.539 1.00 0.21 H new ATOM 0 HA PHE A 17 10.057 4.996 -6.902 1.00 0.21 H new ATOM 0 HB2 PHE A 17 8.860 2.810 -7.035 1.00 0.21 H new ATOM 0 HB3 PHE A 17 9.750 2.234 -5.640 1.00 0.21 H new ATOM 0 HD1 PHE A 17 7.442 4.995 -6.660 1.00 1.22 H new ATOM 0 HD2 PHE A 17 8.832 2.460 -3.533 1.00 1.17 H new ATOM 0 HE1 PHE A 17 5.674 5.854 -5.184 1.00 1.24 H new ATOM 0 HE2 PHE A 17 7.078 3.326 -2.049 1.00 1.19 H new ATOM 0 HZ PHE A 17 5.494 5.024 -2.871 1.00 0.38 H new ATOM 262 N VAL A 18 11.767 3.592 -4.446 1.00 0.19 N ATOM 263 CA VAL A 18 12.433 3.873 -3.181 1.00 0.21 C ATOM 264 C VAL A 18 13.554 4.906 -3.335 1.00 0.23 C ATOM 265 O VAL A 18 13.749 5.749 -2.458 1.00 0.26 O ATOM 266 CB VAL A 18 12.980 2.586 -2.527 1.00 0.23 C ATOM 267 CG1 VAL A 18 11.838 1.643 -2.180 1.00 0.25 C ATOM 268 CG2 VAL A 18 13.978 1.890 -3.434 1.00 0.23 C ATOM 0 H VAL A 18 11.833 2.621 -4.750 1.00 0.19 H new ATOM 0 HA VAL A 18 11.675 4.298 -2.524 1.00 0.21 H new ATOM 0 HB VAL A 18 13.497 2.869 -1.610 1.00 0.23 H new ATOM 0 HG11 VAL A 18 12.239 0.740 -1.720 1.00 0.25 H new ATOM 0 HG12 VAL A 18 11.159 2.135 -1.483 1.00 0.25 H new ATOM 0 HG13 VAL A 18 11.297 1.378 -3.088 1.00 0.25 H new ATOM 0 HG21 VAL A 18 14.345 0.987 -2.946 1.00 0.23 H new ATOM 0 HG22 VAL A 18 13.492 1.623 -4.372 1.00 0.23 H new ATOM 0 HG23 VAL A 18 14.814 2.559 -3.636 1.00 0.23 H new ATOM 278 N LYS A 19 14.280 4.857 -4.449 1.00 0.24 N ATOM 279 CA LYS A 19 15.363 5.812 -4.683 1.00 0.29 C ATOM 280 C LYS A 19 14.816 7.191 -5.044 1.00 0.30 C ATOM 281 O LYS A 19 15.501 8.202 -4.883 1.00 0.34 O ATOM 282 CB LYS A 19 16.292 5.311 -5.789 1.00 0.33 C ATOM 283 CG LYS A 19 17.322 4.307 -5.297 1.00 0.41 C ATOM 284 CD LYS A 19 18.402 4.989 -4.466 1.00 0.54 C ATOM 285 CE LYS A 19 18.930 4.077 -3.371 1.00 0.87 C ATOM 286 NZ LYS A 19 19.922 4.764 -2.503 1.00 1.18 N ATOM 0 H LYS A 19 14.142 4.176 -5.196 1.00 0.24 H new ATOM 0 HA LYS A 19 15.931 5.902 -3.757 1.00 0.29 H new ATOM 0 HB2 LYS A 19 15.694 4.852 -6.577 1.00 0.33 H new ATOM 0 HB3 LYS A 19 16.807 6.162 -6.235 1.00 0.33 H new ATOM 0 HG2 LYS A 19 16.830 3.540 -4.699 1.00 0.41 H new ATOM 0 HG3 LYS A 19 17.779 3.803 -6.149 1.00 0.41 H new ATOM 0 HD2 LYS A 19 19.224 5.291 -5.115 1.00 0.54 H new ATOM 0 HD3 LYS A 19 17.998 5.897 -4.019 1.00 0.54 H new ATOM 0 HE2 LYS A 19 18.098 3.724 -2.761 1.00 0.87 H new ATOM 0 HE3 LYS A 19 19.390 3.198 -3.822 1.00 0.87 H new ATOM 0 HZ1 LYS A 19 20.256 4.106 -1.770 1.00 1.18 H new ATOM 0 HZ2 LYS A 19 20.728 5.079 -3.079 1.00 1.18 H new ATOM 0 HZ3 LYS A 19 19.476 5.588 -2.051 1.00 1.18 H new ATOM 300 N LYS A 20 13.585 7.228 -5.528 1.00 0.29 N ATOM 301 CA LYS A 20 12.954 8.484 -5.918 1.00 0.32 C ATOM 302 C LYS A 20 12.387 9.206 -4.702 1.00 0.31 C ATOM 303 O LYS A 20 12.559 10.413 -4.552 1.00 0.36 O ATOM 304 CB LYS A 20 11.836 8.225 -6.930 1.00 0.35 C ATOM 305 CG LYS A 20 11.361 9.475 -7.652 1.00 0.58 C ATOM 306 CD LYS A 20 12.257 9.817 -8.836 1.00 0.73 C ATOM 307 CE LYS A 20 11.656 10.933 -9.671 1.00 0.71 C ATOM 308 NZ LYS A 20 12.131 10.892 -11.081 1.00 0.88 N ATOM 0 H LYS A 20 13.000 6.403 -5.661 1.00 0.29 H new ATOM 0 HA LYS A 20 13.715 9.116 -6.377 1.00 0.32 H new ATOM 0 HB2 LYS A 20 12.186 7.502 -7.667 1.00 0.35 H new ATOM 0 HB3 LYS A 20 10.990 7.771 -6.414 1.00 0.35 H new ATOM 0 HG2 LYS A 20 10.339 9.328 -8.000 1.00 0.58 H new ATOM 0 HG3 LYS A 20 11.343 10.313 -6.955 1.00 0.58 H new ATOM 0 HD2 LYS A 20 13.241 10.117 -8.477 1.00 0.73 H new ATOM 0 HD3 LYS A 20 12.400 8.932 -9.455 1.00 0.73 H new ATOM 0 HE2 LYS A 20 10.569 10.855 -9.652 1.00 0.71 H new ATOM 0 HE3 LYS A 20 11.914 11.896 -9.229 1.00 0.71 H new ATOM 0 HZ1 LYS A 20 11.697 11.671 -11.616 1.00 0.88 H new ATOM 0 HZ2 LYS A 20 13.166 10.992 -11.102 1.00 0.88 H new ATOM 0 HZ3 LYS A 20 11.863 9.984 -11.511 1.00 0.88 H new ATOM 322 N ILE A 21 11.704 8.458 -3.841 1.00 0.28 N ATOM 323 CA ILE A 21 11.098 9.032 -2.642 1.00 0.30 C ATOM 324 C ILE A 21 12.141 9.335 -1.569 1.00 0.32 C ATOM 325 O ILE A 21 11.862 10.045 -0.602 1.00 0.39 O ATOM 326 CB ILE A 21 10.010 8.112 -2.047 1.00 0.29 C ATOM 327 CG1 ILE A 21 10.570 6.711 -1.778 1.00 0.24 C ATOM 328 CG2 ILE A 21 8.813 8.044 -2.986 1.00 0.31 C ATOM 329 CD1 ILE A 21 9.704 5.873 -0.861 1.00 0.30 C ATOM 0 H ILE A 21 11.556 7.455 -3.950 1.00 0.28 H new ATOM 0 HA ILE A 21 10.633 9.966 -2.958 1.00 0.30 H new ATOM 0 HB ILE A 21 9.683 8.530 -1.095 1.00 0.29 H new ATOM 0 HG12 ILE A 21 10.689 6.189 -2.727 1.00 0.24 H new ATOM 0 HG13 ILE A 21 11.563 6.805 -1.339 1.00 0.24 H new ATOM 0 HG21 ILE A 21 8.051 7.393 -2.558 1.00 0.31 H new ATOM 0 HG22 ILE A 21 8.401 9.044 -3.123 1.00 0.31 H new ATOM 0 HG23 ILE A 21 9.129 7.647 -3.951 1.00 0.31 H new ATOM 0 HD11 ILE A 21 10.165 4.896 -0.718 1.00 0.30 H new ATOM 0 HD12 ILE A 21 9.605 6.372 0.103 1.00 0.30 H new ATOM 0 HD13 ILE A 21 8.718 5.747 -1.307 1.00 0.30 H new ATOM 341 N GLY A 22 13.338 8.796 -1.742 1.00 0.31 N ATOM 342 CA GLY A 22 14.401 9.031 -0.789 1.00 0.36 C ATOM 343 C GLY A 22 14.296 8.145 0.436 1.00 0.34 C ATOM 344 O GLY A 22 14.583 8.582 1.550 1.00 0.39 O ATOM 0 H GLY A 22 13.592 8.198 -2.528 1.00 0.31 H new ATOM 0 HA2 GLY A 22 15.362 8.861 -1.274 1.00 0.36 H new ATOM 0 HA3 GLY A 22 14.381 10.076 -0.479 1.00 0.36 H new ATOM 348 N LEU A 23 13.871 6.907 0.233 1.00 0.28 N ATOM 349 CA LEU A 23 13.739 5.952 1.322 1.00 0.27 C ATOM 350 C LEU A 23 15.131 5.534 1.794 1.00 0.28 C ATOM 351 O LEU A 23 16.018 5.308 0.968 1.00 0.28 O ATOM 352 CB LEU A 23 12.948 4.730 0.835 1.00 0.24 C ATOM 353 CG LEU A 23 12.490 3.739 1.913 1.00 0.26 C ATOM 354 CD1 LEU A 23 11.486 4.373 2.857 1.00 0.31 C ATOM 355 CD2 LEU A 23 11.871 2.517 1.262 1.00 0.25 C ATOM 0 H LEU A 23 13.610 6.539 -0.682 1.00 0.28 H new ATOM 0 HA LEU A 23 13.204 6.407 2.155 1.00 0.27 H new ATOM 0 HB2 LEU A 23 12.067 5.085 0.301 1.00 0.24 H new ATOM 0 HB3 LEU A 23 13.562 4.191 0.114 1.00 0.24 H new ATOM 0 HG LEU A 23 13.366 3.446 2.492 1.00 0.26 H new ATOM 0 HD11 LEU A 23 11.182 3.644 3.608 1.00 0.31 H new ATOM 0 HD12 LEU A 23 11.941 5.233 3.349 1.00 0.31 H new ATOM 0 HD13 LEU A 23 10.612 4.699 2.293 1.00 0.31 H new ATOM 0 HD21 LEU A 23 11.548 1.818 2.033 1.00 0.25 H new ATOM 0 HD22 LEU A 23 11.011 2.819 0.664 1.00 0.25 H new ATOM 0 HD23 LEU A 23 12.608 2.034 0.620 1.00 0.25 H new ATOM 367 N PRO A 24 15.369 5.481 3.112 1.00 0.30 N ATOM 368 CA PRO A 24 16.670 5.071 3.653 1.00 0.32 C ATOM 369 C PRO A 24 16.993 3.625 3.295 1.00 0.30 C ATOM 370 O PRO A 24 16.120 2.754 3.344 1.00 0.28 O ATOM 371 CB PRO A 24 16.499 5.221 5.165 1.00 0.37 C ATOM 372 CG PRO A 24 15.029 5.202 5.393 1.00 0.36 C ATOM 373 CD PRO A 24 14.416 5.834 4.179 1.00 0.33 C ATOM 0 HA PRO A 24 17.490 5.666 3.251 1.00 0.32 H new ATOM 0 HB2 PRO A 24 16.991 4.409 5.700 1.00 0.37 H new ATOM 0 HB3 PRO A 24 16.941 6.151 5.521 1.00 0.37 H new ATOM 0 HG2 PRO A 24 14.668 4.182 5.527 1.00 0.36 H new ATOM 0 HG3 PRO A 24 14.767 5.754 6.295 1.00 0.36 H new ATOM 0 HD2 PRO A 24 13.419 5.441 3.978 1.00 0.33 H new ATOM 0 HD3 PRO A 24 14.316 6.914 4.292 1.00 0.33 H new ATOM 381 N ALA A 25 18.247 3.380 2.950 1.00 0.32 N ATOM 382 CA ALA A 25 18.706 2.046 2.566 1.00 0.34 C ATOM 383 C ALA A 25 18.340 1.011 3.616 1.00 0.35 C ATOM 384 O ALA A 25 17.972 -0.119 3.290 1.00 0.36 O ATOM 385 CB ALA A 25 20.209 2.056 2.360 1.00 0.39 C ATOM 0 H ALA A 25 18.976 4.093 2.927 1.00 0.32 H new ATOM 0 HA ALA A 25 18.210 1.775 1.634 1.00 0.34 H new ATOM 0 HB1 ALA A 25 20.544 1.059 2.074 1.00 0.39 H new ATOM 0 HB2 ALA A 25 20.463 2.764 1.571 1.00 0.39 H new ATOM 0 HB3 ALA A 25 20.701 2.352 3.286 1.00 0.39 H new ATOM 391 N ASP A 26 18.437 1.421 4.871 1.00 0.37 N ATOM 392 CA ASP A 26 18.134 0.556 5.999 1.00 0.40 C ATOM 393 C ASP A 26 16.721 -0.017 5.901 1.00 0.38 C ATOM 394 O ASP A 26 16.496 -1.184 6.201 1.00 0.42 O ATOM 395 CB ASP A 26 18.295 1.345 7.303 1.00 0.46 C ATOM 396 CG ASP A 26 17.922 0.542 8.531 1.00 1.27 C ATOM 397 OD1 ASP A 26 18.577 -0.486 8.798 1.00 2.03 O ATOM 398 OD2 ASP A 26 16.986 0.956 9.249 1.00 2.03 O ATOM 0 H ASP A 26 18.728 2.362 5.136 1.00 0.37 H new ATOM 0 HA ASP A 26 18.831 -0.282 5.987 1.00 0.40 H new ATOM 0 HB2 ASP A 26 19.329 1.678 7.394 1.00 0.46 H new ATOM 0 HB3 ASP A 26 17.674 2.240 7.259 1.00 0.46 H new ATOM 403 N LYS A 27 15.770 0.802 5.460 1.00 0.35 N ATOM 404 CA LYS A 27 14.385 0.361 5.342 1.00 0.36 C ATOM 405 C LYS A 27 14.135 -0.252 3.975 1.00 0.32 C ATOM 406 O LYS A 27 13.291 -1.137 3.829 1.00 0.33 O ATOM 407 CB LYS A 27 13.419 1.519 5.576 1.00 0.39 C ATOM 408 CG LYS A 27 13.691 2.294 6.859 1.00 0.41 C ATOM 409 CD LYS A 27 13.603 1.395 8.076 1.00 0.48 C ATOM 410 CE LYS A 27 13.945 2.141 9.352 1.00 0.72 C ATOM 411 NZ LYS A 27 14.572 1.246 10.357 1.00 0.94 N ATOM 0 H LYS A 27 15.932 1.769 5.180 1.00 0.35 H new ATOM 0 HA LYS A 27 14.210 -0.395 6.107 1.00 0.36 H new ATOM 0 HB2 LYS A 27 13.475 2.204 4.730 1.00 0.39 H new ATOM 0 HB3 LYS A 27 12.401 1.131 5.605 1.00 0.39 H new ATOM 0 HG2 LYS A 27 14.681 2.747 6.810 1.00 0.41 H new ATOM 0 HG3 LYS A 27 12.973 3.108 6.953 1.00 0.41 H new ATOM 0 HD2 LYS A 27 12.596 0.985 8.153 1.00 0.48 H new ATOM 0 HD3 LYS A 27 14.282 0.551 7.955 1.00 0.48 H new ATOM 0 HE2 LYS A 27 14.623 2.963 9.123 1.00 0.72 H new ATOM 0 HE3 LYS A 27 13.040 2.581 9.770 1.00 0.72 H new ATOM 0 HZ1 LYS A 27 14.411 1.628 11.311 1.00 0.94 H new ATOM 0 HZ2 LYS A 27 14.150 0.298 10.288 1.00 0.94 H new ATOM 0 HZ3 LYS A 27 15.594 1.184 10.177 1.00 0.94 H new ATOM 425 N ILE A 28 14.863 0.235 2.977 1.00 0.30 N ATOM 426 CA ILE A 28 14.733 -0.262 1.613 1.00 0.29 C ATOM 427 C ILE A 28 15.061 -1.748 1.558 1.00 0.34 C ATOM 428 O ILE A 28 14.242 -2.571 1.150 1.00 0.37 O ATOM 429 CB ILE A 28 15.687 0.463 0.633 1.00 0.29 C ATOM 430 CG1 ILE A 28 15.274 1.920 0.428 1.00 0.25 C ATOM 431 CG2 ILE A 28 15.729 -0.268 -0.705 1.00 0.35 C ATOM 432 CD1 ILE A 28 16.172 2.667 -0.535 1.00 0.26 C ATOM 0 H ILE A 28 15.553 0.978 3.088 1.00 0.30 H new ATOM 0 HA ILE A 28 13.701 -0.075 1.314 1.00 0.29 H new ATOM 0 HB ILE A 28 16.685 0.456 1.072 1.00 0.29 H new ATOM 0 HG12 ILE A 28 14.249 1.951 0.057 1.00 0.25 H new ATOM 0 HG13 ILE A 28 15.280 2.431 1.391 1.00 0.25 H new ATOM 0 HG21 ILE A 28 16.404 0.254 -1.384 1.00 0.35 H new ATOM 0 HG22 ILE A 28 16.084 -1.287 -0.552 1.00 0.35 H new ATOM 0 HG23 ILE A 28 14.729 -0.294 -1.137 1.00 0.35 H new ATOM 0 HD11 ILE A 28 15.823 3.695 -0.635 1.00 0.26 H new ATOM 0 HD12 ILE A 28 17.194 2.666 -0.155 1.00 0.26 H new ATOM 0 HD13 ILE A 28 16.147 2.179 -1.509 1.00 0.26 H new ATOM 444 N GLU A 29 16.271 -2.075 1.992 1.00 0.37 N ATOM 445 CA GLU A 29 16.746 -3.447 1.984 1.00 0.44 C ATOM 446 C GLU A 29 15.931 -4.311 2.937 1.00 0.43 C ATOM 447 O GLU A 29 15.732 -5.501 2.702 1.00 0.47 O ATOM 448 CB GLU A 29 18.228 -3.490 2.362 1.00 0.52 C ATOM 449 CG GLU A 29 19.096 -2.558 1.523 1.00 0.55 C ATOM 450 CD GLU A 29 19.037 -2.877 0.043 1.00 0.94 C ATOM 451 OE1 GLU A 29 19.634 -3.891 -0.376 1.00 1.41 O ATOM 452 OE2 GLU A 29 18.398 -2.113 -0.713 1.00 1.73 O ATOM 0 H GLU A 29 16.944 -1.401 2.356 1.00 0.37 H new ATOM 0 HA GLU A 29 16.624 -3.847 0.978 1.00 0.44 H new ATOM 0 HB2 GLU A 29 18.335 -3.224 3.414 1.00 0.52 H new ATOM 0 HB3 GLU A 29 18.594 -4.511 2.252 1.00 0.52 H new ATOM 0 HG2 GLU A 29 18.775 -1.529 1.681 1.00 0.55 H new ATOM 0 HG3 GLU A 29 20.129 -2.626 1.864 1.00 0.55 H new ATOM 459 N MET A 30 15.436 -3.694 3.999 1.00 0.41 N ATOM 460 CA MET A 30 14.641 -4.388 4.994 1.00 0.43 C ATOM 461 C MET A 30 13.258 -4.752 4.446 1.00 0.40 C ATOM 462 O MET A 30 12.695 -5.778 4.812 1.00 0.41 O ATOM 463 CB MET A 30 14.512 -3.508 6.240 1.00 0.45 C ATOM 464 CG MET A 30 14.006 -4.232 7.476 1.00 0.46 C ATOM 465 SD MET A 30 14.934 -5.723 7.861 1.00 0.63 S ATOM 466 CE MET A 30 13.689 -6.953 7.512 1.00 0.97 C ATOM 0 H MET A 30 15.575 -2.702 4.193 1.00 0.41 H new ATOM 0 HA MET A 30 15.143 -5.319 5.257 1.00 0.43 H new ATOM 0 HB2 MET A 30 15.486 -3.072 6.463 1.00 0.45 H new ATOM 0 HB3 MET A 30 13.837 -2.682 6.017 1.00 0.45 H new ATOM 0 HG2 MET A 30 14.051 -3.555 8.329 1.00 0.46 H new ATOM 0 HG3 MET A 30 12.958 -4.493 7.331 1.00 0.46 H new ATOM 0 HE1 MET A 30 13.499 -7.543 8.409 1.00 0.97 H new ATOM 0 HE2 MET A 30 12.768 -6.460 7.200 1.00 0.97 H new ATOM 0 HE3 MET A 30 14.038 -7.608 6.714 1.00 0.97 H new ATOM 476 N GLY A 31 12.716 -3.928 3.559 1.00 0.39 N ATOM 477 CA GLY A 31 11.397 -4.212 3.017 1.00 0.39 C ATOM 478 C GLY A 31 11.415 -4.769 1.603 1.00 0.43 C ATOM 479 O GLY A 31 10.374 -4.844 0.951 1.00 0.51 O ATOM 0 H GLY A 31 13.157 -3.078 3.207 1.00 0.39 H new ATOM 0 HA2 GLY A 31 10.893 -4.924 3.670 1.00 0.39 H new ATOM 0 HA3 GLY A 31 10.806 -3.296 3.028 1.00 0.39 H new ATOM 483 N ARG A 32 12.574 -5.206 1.134 1.00 0.43 N ATOM 484 CA ARG A 32 12.688 -5.735 -0.221 1.00 0.50 C ATOM 485 C ARG A 32 12.805 -7.251 -0.187 1.00 0.44 C ATOM 486 O ARG A 32 13.497 -7.806 0.668 1.00 0.49 O ATOM 487 CB ARG A 32 13.882 -5.120 -0.963 1.00 0.60 C ATOM 488 CG ARG A 32 15.233 -5.636 -0.492 1.00 0.78 C ATOM 489 CD ARG A 32 16.319 -5.431 -1.533 1.00 0.71 C ATOM 490 NE ARG A 32 16.577 -4.023 -1.824 1.00 1.31 N ATOM 491 CZ ARG A 32 16.491 -3.479 -3.038 1.00 1.49 C ATOM 492 NH1 ARG A 32 16.058 -4.189 -4.070 1.00 1.65 N ATOM 493 NH2 ARG A 32 16.833 -2.215 -3.215 1.00 2.27 N ATOM 0 H ARG A 32 13.445 -5.206 1.666 1.00 0.43 H new ATOM 0 HA ARG A 32 11.784 -5.463 -0.765 1.00 0.50 H new ATOM 0 HB2 ARG A 32 13.778 -5.323 -2.029 1.00 0.60 H new ATOM 0 HB3 ARG A 32 13.855 -4.037 -0.840 1.00 0.60 H new ATOM 0 HG2 ARG A 32 15.514 -5.126 0.429 1.00 0.78 H new ATOM 0 HG3 ARG A 32 15.153 -6.697 -0.257 1.00 0.78 H new ATOM 0 HD2 ARG A 32 17.240 -5.898 -1.185 1.00 0.71 H new ATOM 0 HD3 ARG A 32 16.032 -5.939 -2.454 1.00 0.71 H new ATOM 0 HE ARG A 32 16.840 -3.416 -1.047 1.00 1.31 H new ATOM 0 HH11 ARG A 32 15.786 -5.163 -3.940 1.00 1.65 H new ATOM 0 HH12 ARG A 32 15.997 -3.761 -4.994 1.00 1.65 H new ATOM 0 HH21 ARG A 32 17.161 -1.660 -2.425 1.00 2.27 H new ATOM 0 HH22 ARG A 32 16.769 -1.794 -4.142 1.00 2.27 H new ATOM 507 N ASN A 33 12.115 -7.910 -1.122 1.00 0.53 N ATOM 508 CA ASN A 33 12.115 -9.374 -1.206 1.00 0.67 C ATOM 509 C ASN A 33 11.494 -9.975 0.045 1.00 0.59 C ATOM 510 O ASN A 33 11.683 -11.152 0.353 1.00 0.69 O ATOM 511 CB ASN A 33 13.535 -9.918 -1.395 1.00 0.80 C ATOM 512 CG ASN A 33 14.079 -9.657 -2.779 1.00 1.23 C ATOM 513 OD1 ASN A 33 13.347 -9.686 -3.767 1.00 1.72 O ATOM 514 ND2 ASN A 33 15.372 -9.398 -2.855 1.00 1.78 N ATOM 0 H ASN A 33 11.547 -7.451 -1.834 1.00 0.53 H new ATOM 0 HA ASN A 33 11.520 -9.659 -2.074 1.00 0.67 H new ATOM 0 HB2 ASN A 33 14.196 -9.462 -0.657 1.00 0.80 H new ATOM 0 HB3 ASN A 33 13.537 -10.991 -1.205 1.00 0.80 H new ATOM 0 HD21 ASN A 33 15.802 -9.211 -3.761 1.00 1.78 H new ATOM 0 HD22 ASN A 33 15.940 -9.385 -2.008 1.00 1.78 H new ATOM 521 N CYS A 34 10.741 -9.153 0.752 1.00 0.47 N ATOM 522 CA CYS A 34 10.089 -9.572 1.975 1.00 0.41 C ATOM 523 C CYS A 34 8.599 -9.795 1.731 1.00 0.41 C ATOM 524 O CYS A 34 8.014 -9.199 0.825 1.00 0.48 O ATOM 525 CB CYS A 34 10.324 -8.528 3.070 1.00 0.38 C ATOM 526 SG CYS A 34 12.050 -8.397 3.594 1.00 1.16 S ATOM 0 H CYS A 34 10.566 -8.182 0.495 1.00 0.47 H new ATOM 0 HA CYS A 34 10.516 -10.518 2.307 1.00 0.41 H new ATOM 0 HB2 CYS A 34 9.988 -7.555 2.710 1.00 0.38 H new ATOM 0 HB3 CYS A 34 9.709 -8.777 3.935 1.00 0.38 H new ATOM 0 HG CYS A 34 12.302 -7.174 3.957 1.00 1.16 H new ATOM 532 N LYS A 35 7.991 -10.657 2.533 1.00 0.39 N ATOM 533 CA LYS A 35 6.576 -10.971 2.380 1.00 0.42 C ATOM 534 C LYS A 35 5.693 -10.058 3.231 1.00 0.38 C ATOM 535 O LYS A 35 5.438 -10.331 4.404 1.00 0.40 O ATOM 536 CB LYS A 35 6.313 -12.446 2.722 1.00 0.47 C ATOM 537 CG LYS A 35 6.974 -12.926 4.009 1.00 0.48 C ATOM 538 CD LYS A 35 6.678 -14.398 4.274 1.00 1.13 C ATOM 539 CE LYS A 35 5.178 -14.669 4.333 1.00 1.64 C ATOM 540 NZ LYS A 35 4.877 -16.073 4.723 1.00 2.49 N ATOM 0 H LYS A 35 8.454 -11.151 3.296 1.00 0.39 H new ATOM 0 HA LYS A 35 6.314 -10.797 1.336 1.00 0.42 H new ATOM 0 HB2 LYS A 35 5.237 -12.601 2.802 1.00 0.47 H new ATOM 0 HB3 LYS A 35 6.663 -13.065 1.896 1.00 0.47 H new ATOM 0 HG2 LYS A 35 8.052 -12.777 3.943 1.00 0.48 H new ATOM 0 HG3 LYS A 35 6.619 -12.326 4.847 1.00 0.48 H new ATOM 0 HD2 LYS A 35 7.127 -15.007 3.489 1.00 1.13 H new ATOM 0 HD3 LYS A 35 7.140 -14.699 5.215 1.00 1.13 H new ATOM 0 HE2 LYS A 35 4.715 -13.988 5.047 1.00 1.64 H new ATOM 0 HE3 LYS A 35 4.734 -14.461 3.360 1.00 1.64 H new ATOM 0 HZ1 LYS A 35 3.847 -16.212 4.750 1.00 2.49 H new ATOM 0 HZ2 LYS A 35 5.296 -16.724 4.028 1.00 2.49 H new ATOM 0 HZ3 LYS A 35 5.278 -16.266 5.663 1.00 2.49 H new ATOM 554 N ILE A 36 5.245 -8.959 2.643 1.00 0.36 N ATOM 555 CA ILE A 36 4.365 -8.033 3.339 1.00 0.34 C ATOM 556 C ILE A 36 2.924 -8.446 3.082 1.00 0.33 C ATOM 557 O ILE A 36 2.430 -8.344 1.961 1.00 0.41 O ATOM 558 CB ILE A 36 4.582 -6.565 2.894 1.00 0.41 C ATOM 559 CG1 ILE A 36 5.896 -6.022 3.457 1.00 0.65 C ATOM 560 CG2 ILE A 36 3.424 -5.680 3.341 1.00 0.32 C ATOM 561 CD1 ILE A 36 7.126 -6.515 2.737 1.00 0.66 C ATOM 0 H ILE A 36 5.476 -8.687 1.687 1.00 0.36 H new ATOM 0 HA ILE A 36 4.596 -8.078 4.403 1.00 0.34 H new ATOM 0 HB ILE A 36 4.628 -6.551 1.805 1.00 0.41 H new ATOM 0 HG12 ILE A 36 5.875 -4.933 3.413 1.00 0.65 H new ATOM 0 HG13 ILE A 36 5.969 -6.298 4.509 1.00 0.65 H new ATOM 0 HG21 ILE A 36 3.603 -4.655 3.015 1.00 0.32 H new ATOM 0 HG22 ILE A 36 2.496 -6.044 2.900 1.00 0.32 H new ATOM 0 HG23 ILE A 36 3.344 -5.707 4.428 1.00 0.32 H new ATOM 0 HD11 ILE A 36 8.015 -6.084 3.198 1.00 0.66 H new ATOM 0 HD12 ILE A 36 7.175 -7.602 2.802 1.00 0.66 H new ATOM 0 HD13 ILE A 36 7.079 -6.216 1.690 1.00 0.66 H new ATOM 573 N VAL A 37 2.260 -8.921 4.118 1.00 0.29 N ATOM 574 CA VAL A 37 0.888 -9.378 3.989 1.00 0.29 C ATOM 575 C VAL A 37 -0.077 -8.213 4.096 1.00 0.30 C ATOM 576 O VAL A 37 0.120 -7.307 4.900 1.00 0.37 O ATOM 577 CB VAL A 37 0.515 -10.429 5.061 1.00 0.29 C ATOM 578 CG1 VAL A 37 -0.669 -11.266 4.610 1.00 0.31 C ATOM 579 CG2 VAL A 37 1.705 -11.320 5.390 1.00 0.32 C ATOM 0 H VAL A 37 2.647 -9.001 5.058 1.00 0.29 H new ATOM 0 HA VAL A 37 0.810 -9.843 3.006 1.00 0.29 H new ATOM 0 HB VAL A 37 0.231 -9.894 5.967 1.00 0.29 H new ATOM 0 HG11 VAL A 37 -0.912 -11.998 5.381 1.00 0.31 H new ATOM 0 HG12 VAL A 37 -1.529 -10.618 4.441 1.00 0.31 H new ATOM 0 HG13 VAL A 37 -0.417 -11.784 3.685 1.00 0.31 H new ATOM 0 HG21 VAL A 37 1.415 -12.050 6.146 1.00 0.32 H new ATOM 0 HG22 VAL A 37 2.030 -11.841 4.489 1.00 0.32 H new ATOM 0 HG23 VAL A 37 2.523 -10.709 5.771 1.00 0.32 H new ATOM 589 N THR A 38 -1.097 -8.224 3.262 1.00 0.25 N ATOM 590 CA THR A 38 -2.109 -7.188 3.272 1.00 0.26 C ATOM 591 C THR A 38 -3.483 -7.808 3.497 1.00 0.24 C ATOM 592 O THR A 38 -4.042 -8.431 2.603 1.00 0.23 O ATOM 593 CB THR A 38 -2.098 -6.407 1.945 1.00 0.27 C ATOM 594 OG1 THR A 38 -0.769 -5.926 1.684 1.00 0.33 O ATOM 595 CG2 THR A 38 -3.075 -5.243 1.980 1.00 0.30 C ATOM 0 H THR A 38 -1.247 -8.949 2.560 1.00 0.25 H new ATOM 0 HA THR A 38 -1.889 -6.495 4.084 1.00 0.26 H new ATOM 0 HB THR A 38 -2.410 -7.080 1.147 1.00 0.27 H new ATOM 0 HG1 THR A 38 -0.748 -4.951 1.784 1.00 0.33 H new ATOM 0 HG21 THR A 38 -3.043 -4.712 1.028 1.00 0.30 H new ATOM 0 HG22 THR A 38 -4.083 -5.619 2.152 1.00 0.30 H new ATOM 0 HG23 THR A 38 -2.800 -4.561 2.785 1.00 0.30 H new ATOM 603 N GLU A 39 -4.013 -7.656 4.699 1.00 0.25 N ATOM 604 CA GLU A 39 -5.326 -8.207 5.019 1.00 0.25 C ATOM 605 C GLU A 39 -6.395 -7.145 4.846 1.00 0.24 C ATOM 606 O GLU A 39 -6.346 -6.098 5.500 1.00 0.28 O ATOM 607 CB GLU A 39 -5.357 -8.759 6.444 1.00 0.28 C ATOM 608 CG GLU A 39 -4.550 -10.029 6.619 1.00 0.38 C ATOM 609 CD GLU A 39 -4.783 -10.672 7.968 1.00 0.66 C ATOM 610 OE1 GLU A 39 -4.418 -10.064 8.992 1.00 1.24 O ATOM 611 OE2 GLU A 39 -5.331 -11.793 8.013 1.00 1.39 O ATOM 0 H GLU A 39 -3.561 -7.160 5.467 1.00 0.25 H new ATOM 0 HA GLU A 39 -5.526 -9.029 4.332 1.00 0.25 H new ATOM 0 HB2 GLU A 39 -4.977 -8.000 7.127 1.00 0.28 H new ATOM 0 HB3 GLU A 39 -6.391 -8.954 6.727 1.00 0.28 H new ATOM 0 HG2 GLU A 39 -4.812 -10.736 5.831 1.00 0.38 H new ATOM 0 HG3 GLU A 39 -3.490 -9.803 6.504 1.00 0.38 H new ATOM 618 N VAL A 40 -7.345 -7.413 3.964 1.00 0.20 N ATOM 619 CA VAL A 40 -8.419 -6.477 3.689 1.00 0.20 C ATOM 620 C VAL A 40 -9.763 -7.025 4.144 1.00 0.21 C ATOM 621 O VAL A 40 -10.123 -8.161 3.827 1.00 0.20 O ATOM 622 CB VAL A 40 -8.506 -6.160 2.182 1.00 0.20 C ATOM 623 CG1 VAL A 40 -9.610 -5.151 1.899 1.00 0.22 C ATOM 624 CG2 VAL A 40 -7.164 -5.659 1.670 1.00 0.22 C ATOM 0 H VAL A 40 -7.392 -8.277 3.424 1.00 0.20 H new ATOM 0 HA VAL A 40 -8.192 -5.567 4.245 1.00 0.20 H new ATOM 0 HB VAL A 40 -8.755 -7.079 1.651 1.00 0.20 H new ATOM 0 HG11 VAL A 40 -9.650 -4.945 0.829 1.00 0.22 H new ATOM 0 HG12 VAL A 40 -10.567 -5.558 2.226 1.00 0.22 H new ATOM 0 HG13 VAL A 40 -9.405 -4.227 2.439 1.00 0.22 H new ATOM 0 HG21 VAL A 40 -7.240 -5.439 0.605 1.00 0.22 H new ATOM 0 HG22 VAL A 40 -6.884 -4.754 2.208 1.00 0.22 H new ATOM 0 HG23 VAL A 40 -6.405 -6.425 1.829 1.00 0.22 H new ATOM 634 N VAL A 41 -10.488 -6.221 4.905 1.00 0.24 N ATOM 635 CA VAL A 41 -11.813 -6.585 5.372 1.00 0.27 C ATOM 636 C VAL A 41 -12.813 -5.579 4.809 1.00 0.29 C ATOM 637 O VAL A 41 -12.598 -4.371 4.900 1.00 0.31 O ATOM 638 CB VAL A 41 -11.899 -6.608 6.912 1.00 0.31 C ATOM 639 CG1 VAL A 41 -13.278 -7.066 7.358 1.00 0.70 C ATOM 640 CG2 VAL A 41 -10.822 -7.511 7.502 1.00 0.95 C ATOM 0 H VAL A 41 -10.175 -5.301 5.215 1.00 0.24 H new ATOM 0 HA VAL A 41 -12.040 -7.593 5.026 1.00 0.27 H new ATOM 0 HB VAL A 41 -11.732 -5.595 7.278 1.00 0.31 H new ATOM 0 HG11 VAL A 41 -13.323 -7.077 8.447 1.00 0.70 H new ATOM 0 HG12 VAL A 41 -14.032 -6.381 6.970 1.00 0.70 H new ATOM 0 HG13 VAL A 41 -13.469 -8.069 6.977 1.00 0.70 H new ATOM 0 HG21 VAL A 41 -10.903 -7.511 8.589 1.00 0.95 H new ATOM 0 HG22 VAL A 41 -10.954 -8.526 7.128 1.00 0.95 H new ATOM 0 HG23 VAL A 41 -9.838 -7.142 7.211 1.00 0.95 H new ATOM 650 N GLN A 42 -13.885 -6.071 4.211 1.00 0.31 N ATOM 651 CA GLN A 42 -14.884 -5.201 3.612 1.00 0.36 C ATOM 652 C GLN A 42 -16.029 -4.902 4.572 1.00 0.30 C ATOM 653 O GLN A 42 -16.796 -5.794 4.942 1.00 0.42 O ATOM 654 CB GLN A 42 -15.427 -5.842 2.336 1.00 0.53 C ATOM 655 CG GLN A 42 -16.478 -5.015 1.615 1.00 1.14 C ATOM 656 CD GLN A 42 -16.852 -5.608 0.273 1.00 1.35 C ATOM 657 OE1 GLN A 42 -16.309 -5.227 -0.762 1.00 2.06 O ATOM 658 NE2 GLN A 42 -17.768 -6.560 0.284 1.00 1.59 N ATOM 0 H GLN A 42 -14.086 -7.067 4.127 1.00 0.31 H new ATOM 0 HA GLN A 42 -14.400 -4.254 3.374 1.00 0.36 H new ATOM 0 HB2 GLN A 42 -14.596 -6.025 1.654 1.00 0.53 H new ATOM 0 HB3 GLN A 42 -15.855 -6.813 2.586 1.00 0.53 H new ATOM 0 HG2 GLN A 42 -17.369 -4.940 2.238 1.00 1.14 H new ATOM 0 HG3 GLN A 42 -16.104 -4.001 1.471 1.00 1.14 H new ATOM 0 HE21 GLN A 42 -18.195 -6.847 1.165 1.00 1.59 H new ATOM 0 HE22 GLN A 42 -18.049 -7.008 -0.588 1.00 1.59 H new ATOM 667 N ASN A 43 -16.117 -3.651 4.984 1.00 0.30 N ATOM 668 CA ASN A 43 -17.183 -3.197 5.863 1.00 0.37 C ATOM 669 C ASN A 43 -17.983 -2.118 5.145 1.00 0.34 C ATOM 670 O ASN A 43 -17.865 -0.925 5.442 1.00 0.37 O ATOM 671 CB ASN A 43 -16.606 -2.658 7.175 1.00 0.53 C ATOM 672 CG ASN A 43 -17.677 -2.133 8.110 1.00 0.97 C ATOM 673 OD1 ASN A 43 -18.766 -2.701 8.212 1.00 1.44 O ATOM 674 ND2 ASN A 43 -17.382 -1.038 8.789 1.00 1.73 N ATOM 0 H ASN A 43 -15.455 -2.921 4.721 1.00 0.30 H new ATOM 0 HA ASN A 43 -17.837 -4.034 6.108 1.00 0.37 H new ATOM 0 HB2 ASN A 43 -16.049 -3.450 7.675 1.00 0.53 H new ATOM 0 HB3 ASN A 43 -15.897 -1.859 6.955 1.00 0.53 H new ATOM 0 HD21 ASN A 43 -18.068 -0.633 9.426 1.00 1.73 H new ATOM 0 HD22 ASN A 43 -16.469 -0.598 8.676 1.00 1.73 H new ATOM 681 N GLY A 44 -18.781 -2.541 4.177 1.00 0.35 N ATOM 682 CA GLY A 44 -19.565 -1.609 3.404 1.00 0.37 C ATOM 683 C GLY A 44 -18.681 -0.802 2.483 1.00 0.34 C ATOM 684 O GLY A 44 -18.280 -1.273 1.419 1.00 0.40 O ATOM 0 H GLY A 44 -18.898 -3.520 3.914 1.00 0.35 H new ATOM 0 HA2 GLY A 44 -20.310 -2.150 2.820 1.00 0.37 H new ATOM 0 HA3 GLY A 44 -20.108 -0.941 4.073 1.00 0.37 H new ATOM 688 N ASN A 45 -18.361 0.410 2.899 1.00 0.31 N ATOM 689 CA ASN A 45 -17.493 1.277 2.120 1.00 0.29 C ATOM 690 C ASN A 45 -16.197 1.509 2.877 1.00 0.28 C ATOM 691 O ASN A 45 -15.341 2.284 2.456 1.00 0.29 O ATOM 692 CB ASN A 45 -18.179 2.611 1.813 1.00 0.32 C ATOM 693 CG ASN A 45 -18.714 2.666 0.394 1.00 0.38 C ATOM 694 OD1 ASN A 45 -19.095 1.515 -0.143 1.00 0.41 O flip ATOM 695 ND2 ASN A 45 -18.787 3.734 -0.216 1.00 0.43 N flip ATOM 0 H ASN A 45 -18.690 0.818 3.774 1.00 0.31 H new ATOM 0 HA ASN A 45 -17.274 0.790 1.170 1.00 0.29 H new ATOM 0 HB2 ASN A 45 -18.998 2.766 2.515 1.00 0.32 H new ATOM 0 HB3 ASN A 45 -17.471 3.425 1.964 1.00 0.32 H new ATOM 0 HD21 ASN A 45 -18.484 4.599 0.232 1.00 0.43 H new ATOM 0 HD22 ASN A 45 -19.151 3.753 -1.169 1.00 0.43 H new ATOM 702 N ASP A 46 -16.063 0.813 3.996 1.00 0.30 N ATOM 703 CA ASP A 46 -14.881 0.919 4.840 1.00 0.29 C ATOM 704 C ASP A 46 -13.996 -0.302 4.651 1.00 0.28 C ATOM 705 O ASP A 46 -14.374 -1.421 5.005 1.00 0.36 O ATOM 706 CB ASP A 46 -15.283 1.064 6.311 1.00 0.33 C ATOM 707 CG ASP A 46 -14.086 1.142 7.239 1.00 0.61 C ATOM 708 OD1 ASP A 46 -13.357 2.153 7.193 1.00 1.29 O ATOM 709 OD2 ASP A 46 -13.880 0.192 8.025 1.00 1.36 O ATOM 0 H ASP A 46 -16.767 0.162 4.344 1.00 0.30 H new ATOM 0 HA ASP A 46 -14.322 1.808 4.548 1.00 0.29 H new ATOM 0 HB2 ASP A 46 -15.890 1.961 6.431 1.00 0.33 H new ATOM 0 HB3 ASP A 46 -15.906 0.217 6.598 1.00 0.33 H new ATOM 714 N PHE A 47 -12.837 -0.093 4.052 1.00 0.23 N ATOM 715 CA PHE A 47 -11.902 -1.170 3.803 1.00 0.23 C ATOM 716 C PHE A 47 -10.693 -1.028 4.711 1.00 0.23 C ATOM 717 O PHE A 47 -10.150 0.064 4.881 1.00 0.24 O ATOM 718 CB PHE A 47 -11.468 -1.179 2.335 1.00 0.25 C ATOM 719 CG PHE A 47 -12.583 -1.510 1.389 1.00 0.26 C ATOM 720 CD1 PHE A 47 -13.462 -0.526 0.967 1.00 0.81 C ATOM 721 CD2 PHE A 47 -12.759 -2.803 0.927 1.00 0.97 C ATOM 722 CE1 PHE A 47 -14.495 -0.828 0.104 1.00 0.82 C ATOM 723 CE2 PHE A 47 -13.789 -3.110 0.065 1.00 1.00 C ATOM 724 CZ PHE A 47 -14.659 -2.119 -0.346 1.00 0.34 C ATOM 0 H PHE A 47 -12.521 0.821 3.728 1.00 0.23 H new ATOM 0 HA PHE A 47 -12.396 -2.117 4.018 1.00 0.23 H new ATOM 0 HB2 PHE A 47 -11.061 -0.201 2.078 1.00 0.25 H new ATOM 0 HB3 PHE A 47 -10.664 -1.903 2.205 1.00 0.25 H new ATOM 0 HD1 PHE A 47 -13.337 0.488 1.317 1.00 0.81 H new ATOM 0 HD2 PHE A 47 -12.081 -3.581 1.246 1.00 0.97 H new ATOM 0 HE1 PHE A 47 -15.174 -0.053 -0.218 1.00 0.82 H new ATOM 0 HE2 PHE A 47 -13.916 -4.123 -0.288 1.00 1.00 H new ATOM 0 HZ PHE A 47 -15.468 -2.357 -1.021 1.00 0.34 H new ATOM 734 N THR A 48 -10.285 -2.128 5.309 1.00 0.26 N ATOM 735 CA THR A 48 -9.148 -2.118 6.201 1.00 0.27 C ATOM 736 C THR A 48 -7.893 -2.636 5.517 1.00 0.28 C ATOM 737 O THR A 48 -7.861 -3.759 5.026 1.00 0.38 O ATOM 738 CB THR A 48 -9.439 -2.962 7.451 1.00 0.29 C ATOM 739 OG1 THR A 48 -10.545 -3.838 7.194 1.00 0.53 O ATOM 740 CG2 THR A 48 -9.759 -2.066 8.631 1.00 0.56 C ATOM 0 H THR A 48 -10.725 -3.041 5.192 1.00 0.26 H new ATOM 0 HA THR A 48 -8.974 -1.082 6.493 1.00 0.27 H new ATOM 0 HB THR A 48 -8.555 -3.553 7.690 1.00 0.29 H new ATOM 0 HG1 THR A 48 -11.280 -3.624 7.806 1.00 0.53 H new ATOM 0 HG21 THR A 48 -9.963 -2.679 9.509 1.00 0.56 H new ATOM 0 HG22 THR A 48 -8.910 -1.414 8.833 1.00 0.56 H new ATOM 0 HG23 THR A 48 -10.635 -1.460 8.401 1.00 0.56 H new ATOM 748 N TRP A 49 -6.872 -1.799 5.469 1.00 0.23 N ATOM 749 CA TRP A 49 -5.608 -2.179 4.867 1.00 0.23 C ATOM 750 C TRP A 49 -4.615 -2.532 5.967 1.00 0.23 C ATOM 751 O TRP A 49 -4.089 -1.653 6.647 1.00 0.24 O ATOM 752 CB TRP A 49 -5.062 -1.049 3.992 1.00 0.25 C ATOM 753 CG TRP A 49 -4.802 -1.459 2.574 1.00 0.28 C ATOM 754 CD1 TRP A 49 -3.586 -1.526 1.951 1.00 0.34 C ATOM 755 CD2 TRP A 49 -5.773 -1.856 1.596 1.00 0.30 C ATOM 756 NE1 TRP A 49 -3.743 -1.939 0.650 1.00 0.38 N ATOM 757 CE2 TRP A 49 -5.073 -2.151 0.408 1.00 0.36 C ATOM 758 CE3 TRP A 49 -7.164 -1.990 1.606 1.00 0.32 C ATOM 759 CZ2 TRP A 49 -5.713 -2.570 -0.752 1.00 0.41 C ATOM 760 CZ3 TRP A 49 -7.802 -2.411 0.450 1.00 0.38 C ATOM 761 CH2 TRP A 49 -7.075 -2.696 -0.713 1.00 0.42 C ATOM 0 H TRP A 49 -6.894 -0.849 5.841 1.00 0.23 H new ATOM 0 HA TRP A 49 -5.763 -3.048 4.228 1.00 0.23 H new ATOM 0 HB2 TRP A 49 -5.771 -0.221 3.998 1.00 0.25 H new ATOM 0 HB3 TRP A 49 -4.135 -0.678 4.430 1.00 0.25 H new ATOM 0 HD1 TRP A 49 -2.640 -1.289 2.415 1.00 0.34 H new ATOM 0 HE1 TRP A 49 -2.990 -2.067 -0.026 1.00 0.38 H new ATOM 0 HE3 TRP A 49 -7.731 -1.770 2.498 1.00 0.32 H new ATOM 0 HZ2 TRP A 49 -5.156 -2.788 -1.651 1.00 0.41 H new ATOM 0 HZ3 TRP A 49 -8.876 -2.521 0.446 1.00 0.38 H new ATOM 0 HH2 TRP A 49 -7.601 -3.022 -1.598 1.00 0.42 H new ATOM 772 N THR A 50 -4.398 -3.817 6.167 1.00 0.22 N ATOM 773 CA THR A 50 -3.486 -4.283 7.198 1.00 0.24 C ATOM 774 C THR A 50 -2.186 -4.788 6.594 1.00 0.25 C ATOM 775 O THR A 50 -2.184 -5.781 5.875 1.00 0.35 O ATOM 776 CB THR A 50 -4.127 -5.417 8.015 1.00 0.26 C ATOM 777 OG1 THR A 50 -5.519 -5.140 8.211 1.00 0.27 O ATOM 778 CG2 THR A 50 -3.434 -5.586 9.358 1.00 0.28 C ATOM 0 H THR A 50 -4.842 -4.561 5.628 1.00 0.22 H new ATOM 0 HA THR A 50 -3.272 -3.435 7.849 1.00 0.24 H new ATOM 0 HB THR A 50 -4.015 -6.348 7.460 1.00 0.26 H new ATOM 0 HG1 THR A 50 -6.018 -5.387 7.405 1.00 0.27 H new ATOM 0 HG21 THR A 50 -3.909 -6.395 9.913 1.00 0.28 H new ATOM 0 HG22 THR A 50 -2.383 -5.825 9.197 1.00 0.28 H new ATOM 0 HG23 THR A 50 -3.513 -4.660 9.927 1.00 0.28 H new ATOM 786 N GLN A 51 -1.092 -4.098 6.883 1.00 0.22 N ATOM 787 CA GLN A 51 0.217 -4.493 6.375 1.00 0.23 C ATOM 788 C GLN A 51 0.993 -5.228 7.452 1.00 0.22 C ATOM 789 O GLN A 51 1.293 -4.668 8.504 1.00 0.24 O ATOM 790 CB GLN A 51 1.035 -3.281 5.925 1.00 0.27 C ATOM 791 CG GLN A 51 0.744 -2.810 4.507 1.00 0.56 C ATOM 792 CD GLN A 51 -0.656 -2.252 4.344 1.00 0.71 C ATOM 793 OE1 GLN A 51 -1.563 -3.072 3.844 1.00 1.62 O flip ATOM 794 NE2 GLN A 51 -0.916 -1.092 4.652 1.00 0.82 N flip ATOM 0 H GLN A 51 -1.083 -3.261 7.467 1.00 0.22 H new ATOM 0 HA GLN A 51 0.050 -5.143 5.516 1.00 0.23 H new ATOM 0 HB2 GLN A 51 0.847 -2.457 6.613 1.00 0.27 H new ATOM 0 HB3 GLN A 51 2.094 -3.525 6.002 1.00 0.27 H new ATOM 0 HG2 GLN A 51 1.469 -2.045 4.228 1.00 0.56 H new ATOM 0 HG3 GLN A 51 0.879 -3.644 3.818 1.00 0.56 H new ATOM 0 HE21 GLN A 51 -0.187 -0.490 5.035 1.00 0.82 H new ATOM 0 HE22 GLN A 51 -1.861 -0.730 4.525 1.00 0.82 H new ATOM 803 N HIS A 52 1.328 -6.473 7.179 1.00 0.22 N ATOM 804 CA HIS A 52 2.076 -7.281 8.122 1.00 0.23 C ATOM 805 C HIS A 52 3.507 -7.422 7.667 1.00 0.23 C ATOM 806 O HIS A 52 3.773 -7.759 6.512 1.00 0.26 O ATOM 807 CB HIS A 52 1.446 -8.666 8.285 1.00 0.24 C ATOM 808 CG HIS A 52 0.080 -8.642 8.891 1.00 0.26 C ATOM 809 ND1 HIS A 52 -0.105 -8.312 10.208 1.00 0.34 N ATOM 810 CD2 HIS A 52 -1.124 -8.917 8.329 1.00 0.32 C ATOM 811 CE1 HIS A 52 -1.408 -8.388 10.421 1.00 0.37 C ATOM 812 NE2 HIS A 52 -2.067 -8.750 9.311 1.00 0.35 N ATOM 0 H HIS A 52 1.093 -6.949 6.308 1.00 0.22 H new ATOM 0 HA HIS A 52 2.052 -6.777 9.088 1.00 0.23 H new ATOM 0 HB2 HIS A 52 1.391 -9.147 7.308 1.00 0.24 H new ATOM 0 HB3 HIS A 52 2.098 -9.280 8.906 1.00 0.24 H new ATOM 0 HD2 HIS A 52 -1.305 -9.211 7.306 1.00 0.32 H new ATOM 0 HE1 HIS A 52 -1.882 -8.184 11.370 1.00 0.37 H new ATOM 0 HE2 HIS A 52 -3.075 -8.877 9.215 1.00 0.35 H new ATOM 820 N PHE A 53 4.426 -7.166 8.576 1.00 0.25 N ATOM 821 CA PHE A 53 5.838 -7.266 8.271 1.00 0.27 C ATOM 822 C PHE A 53 6.442 -8.476 8.966 1.00 0.31 C ATOM 823 O PHE A 53 6.227 -8.679 10.161 1.00 0.34 O ATOM 824 CB PHE A 53 6.566 -6.000 8.708 1.00 0.24 C ATOM 825 CG PHE A 53 7.837 -5.766 7.961 1.00 0.26 C ATOM 826 CD1 PHE A 53 7.817 -5.576 6.597 1.00 1.13 C ATOM 827 CD2 PHE A 53 9.047 -5.739 8.626 1.00 1.20 C ATOM 828 CE1 PHE A 53 8.990 -5.362 5.901 1.00 1.13 C ATOM 829 CE2 PHE A 53 10.222 -5.524 7.942 1.00 1.23 C ATOM 830 CZ PHE A 53 10.194 -5.335 6.576 1.00 0.34 C ATOM 0 H PHE A 53 4.219 -6.886 9.535 1.00 0.25 H new ATOM 0 HA PHE A 53 5.951 -7.383 7.193 1.00 0.27 H new ATOM 0 HB2 PHE A 53 5.907 -5.143 8.569 1.00 0.24 H new ATOM 0 HB3 PHE A 53 6.785 -6.064 9.774 1.00 0.24 H new ATOM 0 HD1 PHE A 53 6.876 -5.595 6.067 1.00 1.13 H new ATOM 0 HD2 PHE A 53 9.072 -5.888 9.695 1.00 1.20 H new ATOM 0 HE1 PHE A 53 8.966 -5.216 4.831 1.00 1.13 H new ATOM 0 HE2 PHE A 53 11.162 -5.503 8.473 1.00 1.23 H new ATOM 0 HZ PHE A 53 11.113 -5.166 6.035 1.00 0.34 H new ATOM 840 N PRO A 54 7.186 -9.305 8.228 1.00 0.35 N ATOM 841 CA PRO A 54 7.809 -10.495 8.805 1.00 0.41 C ATOM 842 C PRO A 54 8.911 -10.128 9.800 1.00 0.39 C ATOM 843 O PRO A 54 9.962 -9.600 9.422 1.00 0.37 O ATOM 844 CB PRO A 54 8.386 -11.212 7.577 1.00 0.46 C ATOM 845 CG PRO A 54 8.572 -10.153 6.544 1.00 0.45 C ATOM 846 CD PRO A 54 7.491 -9.144 6.790 1.00 0.39 C ATOM 0 HA PRO A 54 7.109 -11.108 9.373 1.00 0.41 H new ATOM 0 HB2 PRO A 54 9.332 -11.697 7.815 1.00 0.46 H new ATOM 0 HB3 PRO A 54 7.709 -11.990 7.223 1.00 0.46 H new ATOM 0 HG2 PRO A 54 9.558 -9.696 6.626 1.00 0.45 H new ATOM 0 HG3 PRO A 54 8.496 -10.570 5.540 1.00 0.45 H new ATOM 0 HD2 PRO A 54 7.827 -8.132 6.562 1.00 0.39 H new ATOM 0 HD3 PRO A 54 6.615 -9.336 6.170 1.00 0.39 H new ATOM 854 N GLY A 55 8.670 -10.432 11.072 1.00 0.43 N ATOM 855 CA GLY A 55 9.631 -10.133 12.117 1.00 0.46 C ATOM 856 C GLY A 55 9.756 -8.644 12.405 1.00 0.41 C ATOM 857 O GLY A 55 10.812 -8.188 12.845 1.00 0.43 O ATOM 0 H GLY A 55 7.817 -10.885 11.399 1.00 0.43 H new ATOM 0 HA2 GLY A 55 9.338 -10.650 13.031 1.00 0.46 H new ATOM 0 HA3 GLY A 55 10.606 -10.524 11.828 1.00 0.46 H new ATOM 861 N GLY A 56 8.689 -7.889 12.161 1.00 0.37 N ATOM 862 CA GLY A 56 8.734 -6.458 12.401 1.00 0.34 C ATOM 863 C GLY A 56 7.399 -5.881 12.827 1.00 0.35 C ATOM 864 O GLY A 56 6.464 -6.618 13.155 1.00 0.41 O ATOM 0 H GLY A 56 7.800 -8.239 11.804 1.00 0.37 H new ATOM 0 HA2 GLY A 56 9.475 -6.249 13.172 1.00 0.34 H new ATOM 0 HA3 GLY A 56 9.067 -5.954 11.494 1.00 0.34 H new ATOM 868 N ARG A 57 7.319 -4.554 12.797 1.00 0.34 N ATOM 869 CA ARG A 57 6.117 -3.823 13.189 1.00 0.38 C ATOM 870 C ARG A 57 5.028 -3.943 12.143 1.00 0.31 C ATOM 871 O ARG A 57 5.303 -4.054 10.948 1.00 0.28 O ATOM 872 CB ARG A 57 6.426 -2.332 13.438 1.00 0.45 C ATOM 873 CG ARG A 57 7.231 -1.652 12.330 1.00 0.43 C ATOM 874 CD ARG A 57 6.352 -1.083 11.224 1.00 0.53 C ATOM 875 NE ARG A 57 7.136 -0.813 10.025 1.00 1.58 N ATOM 876 CZ ARG A 57 7.438 -1.739 9.124 1.00 2.33 C ATOM 877 NH1 ARG A 57 6.964 -2.966 9.235 1.00 2.27 N ATOM 878 NH2 ARG A 57 8.208 -1.434 8.100 1.00 3.34 N ATOM 0 H ARG A 57 8.088 -3.953 12.499 1.00 0.34 H new ATOM 0 HA ARG A 57 5.763 -4.273 14.117 1.00 0.38 H new ATOM 0 HB2 ARG A 57 5.485 -1.797 13.566 1.00 0.45 H new ATOM 0 HB3 ARG A 57 6.975 -2.240 14.375 1.00 0.45 H new ATOM 0 HG2 ARG A 57 7.828 -0.849 12.762 1.00 0.43 H new ATOM 0 HG3 ARG A 57 7.928 -2.372 11.900 1.00 0.43 H new ATOM 0 HD2 ARG A 57 5.553 -1.787 10.990 1.00 0.53 H new ATOM 0 HD3 ARG A 57 5.877 -0.164 11.568 1.00 0.53 H new ATOM 0 HE ARG A 57 7.470 0.138 9.871 1.00 1.58 H new ATOM 0 HH11 ARG A 57 6.359 -3.210 10.019 1.00 2.27 H new ATOM 0 HH12 ARG A 57 7.203 -3.670 8.537 1.00 2.27 H new ATOM 0 HH21 ARG A 57 8.572 -0.486 8.000 1.00 3.34 H new ATOM 0 HH22 ARG A 57 8.441 -2.145 7.407 1.00 3.34 H new ATOM 892 N THR A 58 3.793 -3.918 12.590 1.00 0.36 N ATOM 893 CA THR A 58 2.668 -4.004 11.687 1.00 0.31 C ATOM 894 C THR A 58 2.066 -2.619 11.484 1.00 0.28 C ATOM 895 O THR A 58 2.215 -1.739 12.332 1.00 0.33 O ATOM 896 CB THR A 58 1.601 -4.988 12.212 1.00 0.35 C ATOM 897 OG1 THR A 58 0.587 -5.199 11.222 1.00 0.34 O ATOM 898 CG2 THR A 58 0.956 -4.485 13.492 1.00 0.39 C ATOM 0 H THR A 58 3.542 -3.839 13.575 1.00 0.36 H new ATOM 0 HA THR A 58 3.023 -4.385 10.729 1.00 0.31 H new ATOM 0 HB THR A 58 2.106 -5.929 12.428 1.00 0.35 H new ATOM 0 HG1 THR A 58 0.945 -4.983 10.336 1.00 0.34 H new ATOM 0 HG21 THR A 58 0.210 -5.204 13.831 1.00 0.39 H new ATOM 0 HG22 THR A 58 1.719 -4.364 14.261 1.00 0.39 H new ATOM 0 HG23 THR A 58 0.475 -3.525 13.304 1.00 0.39 H new ATOM 906 N THR A 59 1.422 -2.419 10.351 1.00 0.25 N ATOM 907 CA THR A 59 0.811 -1.142 10.040 1.00 0.27 C ATOM 908 C THR A 59 -0.609 -1.346 9.530 1.00 0.24 C ATOM 909 O THR A 59 -0.819 -1.954 8.487 1.00 0.36 O ATOM 910 CB THR A 59 1.638 -0.380 8.987 1.00 0.32 C ATOM 911 OG1 THR A 59 3.040 -0.566 9.252 1.00 0.49 O ATOM 912 CG2 THR A 59 1.309 1.103 9.011 1.00 0.48 C ATOM 0 H THR A 59 1.308 -3.129 9.627 1.00 0.25 H new ATOM 0 HA THR A 59 0.782 -0.550 10.955 1.00 0.27 H new ATOM 0 HB THR A 59 1.391 -0.773 8.001 1.00 0.32 H new ATOM 0 HG1 THR A 59 3.461 0.304 9.414 1.00 0.49 H new ATOM 0 HG21 THR A 59 1.905 1.620 8.259 1.00 0.48 H new ATOM 0 HG22 THR A 59 0.250 1.244 8.795 1.00 0.48 H new ATOM 0 HG23 THR A 59 1.535 1.510 9.996 1.00 0.48 H new ATOM 920 N THR A 60 -1.583 -0.861 10.279 1.00 0.26 N ATOM 921 CA THR A 60 -2.974 -1.011 9.888 1.00 0.23 C ATOM 922 C THR A 60 -3.690 0.332 9.802 1.00 0.22 C ATOM 923 O THR A 60 -3.651 1.131 10.737 1.00 0.26 O ATOM 924 CB THR A 60 -3.731 -1.905 10.878 1.00 0.25 C ATOM 925 OG1 THR A 60 -2.900 -3.000 11.286 1.00 0.31 O ATOM 926 CG2 THR A 60 -5.015 -2.434 10.256 1.00 0.24 C ATOM 0 H THR A 60 -1.438 -0.362 11.157 1.00 0.26 H new ATOM 0 HA THR A 60 -2.967 -1.473 8.901 1.00 0.23 H new ATOM 0 HB THR A 60 -3.991 -1.306 11.751 1.00 0.25 H new ATOM 0 HG1 THR A 60 -3.390 -3.565 11.919 1.00 0.31 H new ATOM 0 HG21 THR A 60 -5.535 -3.065 10.976 1.00 0.24 H new ATOM 0 HG22 THR A 60 -5.656 -1.597 9.978 1.00 0.24 H new ATOM 0 HG23 THR A 60 -4.775 -3.019 9.368 1.00 0.24 H new ATOM 934 N ASN A 61 -4.333 0.571 8.672 1.00 0.25 N ATOM 935 CA ASN A 61 -5.093 1.794 8.465 1.00 0.26 C ATOM 936 C ASN A 61 -6.426 1.474 7.819 1.00 0.29 C ATOM 937 O ASN A 61 -6.489 0.851 6.756 1.00 0.51 O ATOM 938 CB ASN A 61 -4.322 2.829 7.624 1.00 0.36 C ATOM 939 CG ASN A 61 -3.333 2.226 6.641 1.00 0.87 C ATOM 940 OD1 ASN A 61 -3.724 1.163 5.952 1.00 1.43 O flip ATOM 941 ND2 ASN A 61 -2.228 2.736 6.481 1.00 1.72 N flip ATOM 0 H ASN A 61 -4.344 -0.070 7.878 1.00 0.25 H new ATOM 0 HA ASN A 61 -5.262 2.242 9.444 1.00 0.26 H new ATOM 0 HB2 ASN A 61 -5.039 3.438 7.073 1.00 0.36 H new ATOM 0 HB3 ASN A 61 -3.785 3.499 8.296 1.00 0.36 H new ATOM 0 HD21 ASN A 61 -1.960 3.554 7.028 1.00 1.72 H new ATOM 0 HD22 ASN A 61 -1.578 2.342 5.801 1.00 1.72 H new ATOM 948 N SER A 62 -7.484 1.882 8.486 1.00 0.21 N ATOM 949 CA SER A 62 -8.831 1.659 8.012 1.00 0.25 C ATOM 950 C SER A 62 -9.324 2.909 7.309 1.00 0.23 C ATOM 951 O SER A 62 -9.184 4.008 7.843 1.00 0.29 O ATOM 952 CB SER A 62 -9.733 1.332 9.200 1.00 0.34 C ATOM 953 OG SER A 62 -9.720 2.392 10.141 1.00 1.04 O ATOM 0 H SER A 62 -7.433 2.379 9.375 1.00 0.21 H new ATOM 0 HA SER A 62 -8.849 0.825 7.311 1.00 0.25 H new ATOM 0 HB2 SER A 62 -10.752 1.158 8.853 1.00 0.34 H new ATOM 0 HB3 SER A 62 -9.397 0.411 9.676 1.00 0.34 H new ATOM 0 HG SER A 62 -9.401 3.211 9.707 1.00 1.04 H new ATOM 959 N PHE A 63 -9.895 2.753 6.128 1.00 0.18 N ATOM 960 CA PHE A 63 -10.381 3.901 5.387 1.00 0.17 C ATOM 961 C PHE A 63 -11.771 3.657 4.836 1.00 0.18 C ATOM 962 O PHE A 63 -12.086 2.575 4.338 1.00 0.24 O ATOM 963 CB PHE A 63 -9.426 4.263 4.245 1.00 0.17 C ATOM 964 CG PHE A 63 -9.227 3.161 3.243 1.00 0.18 C ATOM 965 CD1 PHE A 63 -10.062 3.044 2.142 1.00 0.88 C ATOM 966 CD2 PHE A 63 -8.215 2.234 3.412 1.00 0.86 C ATOM 967 CE1 PHE A 63 -9.891 2.026 1.230 1.00 0.88 C ATOM 968 CE2 PHE A 63 -8.035 1.212 2.501 1.00 0.88 C ATOM 969 CZ PHE A 63 -8.875 1.106 1.408 1.00 0.23 C ATOM 0 H PHE A 63 -10.032 1.854 5.667 1.00 0.18 H new ATOM 0 HA PHE A 63 -10.429 4.737 6.085 1.00 0.17 H new ATOM 0 HB2 PHE A 63 -9.809 5.144 3.730 1.00 0.17 H new ATOM 0 HB3 PHE A 63 -8.459 4.536 4.667 1.00 0.17 H new ATOM 0 HD1 PHE A 63 -10.857 3.761 1.998 1.00 0.88 H new ATOM 0 HD2 PHE A 63 -7.558 2.310 4.266 1.00 0.86 H new ATOM 0 HE1 PHE A 63 -10.549 1.947 0.378 1.00 0.88 H new ATOM 0 HE2 PHE A 63 -7.239 0.496 2.642 1.00 0.88 H new ATOM 0 HZ PHE A 63 -8.738 0.306 0.695 1.00 0.23 H new ATOM 979 N THR A 64 -12.594 4.673 4.937 1.00 0.17 N ATOM 980 CA THR A 64 -13.939 4.623 4.426 1.00 0.19 C ATOM 981 C THR A 64 -14.013 5.482 3.172 1.00 0.18 C ATOM 982 O THR A 64 -13.565 6.627 3.183 1.00 0.19 O ATOM 983 CB THR A 64 -14.948 5.133 5.479 1.00 0.21 C ATOM 984 OG1 THR A 64 -14.921 4.304 6.647 1.00 0.25 O ATOM 985 CG2 THR A 64 -16.363 5.186 4.914 1.00 0.22 C ATOM 0 H THR A 64 -12.347 5.559 5.377 1.00 0.17 H new ATOM 0 HA THR A 64 -14.197 3.591 4.190 1.00 0.19 H new ATOM 0 HB THR A 64 -14.651 6.145 5.753 1.00 0.21 H new ATOM 0 HG1 THR A 64 -14.232 3.615 6.543 1.00 0.25 H new ATOM 0 HG21 THR A 64 -17.048 5.549 5.681 1.00 0.22 H new ATOM 0 HG22 THR A 64 -16.388 5.859 4.057 1.00 0.22 H new ATOM 0 HG23 THR A 64 -16.667 4.188 4.600 1.00 0.22 H new ATOM 993 N ILE A 65 -14.508 4.912 2.080 1.00 0.18 N ATOM 994 CA ILE A 65 -14.642 5.650 0.831 1.00 0.18 C ATOM 995 C ILE A 65 -15.424 6.947 1.041 1.00 0.21 C ATOM 996 O ILE A 65 -16.502 6.949 1.638 1.00 0.24 O ATOM 997 CB ILE A 65 -15.321 4.805 -0.268 1.00 0.20 C ATOM 998 CG1 ILE A 65 -14.575 3.479 -0.463 1.00 0.21 C ATOM 999 CG2 ILE A 65 -15.375 5.584 -1.574 1.00 0.22 C ATOM 1000 CD1 ILE A 65 -13.122 3.639 -0.874 1.00 0.19 C ATOM 0 H ILE A 65 -14.823 3.943 2.034 1.00 0.18 H new ATOM 0 HA ILE A 65 -13.632 5.892 0.499 1.00 0.18 H new ATOM 0 HB ILE A 65 -16.341 4.582 0.045 1.00 0.20 H new ATOM 0 HG12 ILE A 65 -14.618 2.910 0.466 1.00 0.21 H new ATOM 0 HG13 ILE A 65 -15.093 2.891 -1.221 1.00 0.21 H new ATOM 0 HG21 ILE A 65 -15.856 4.976 -2.340 1.00 0.22 H new ATOM 0 HG22 ILE A 65 -15.945 6.501 -1.427 1.00 0.22 H new ATOM 0 HG23 ILE A 65 -14.362 5.833 -1.891 1.00 0.22 H new ATOM 0 HD11 ILE A 65 -12.667 2.656 -0.991 1.00 0.19 H new ATOM 0 HD12 ILE A 65 -13.069 4.178 -1.820 1.00 0.19 H new ATOM 0 HD13 ILE A 65 -12.586 4.198 -0.107 1.00 0.19 H new ATOM 1012 N ASP A 66 -14.837 8.045 0.565 1.00 0.20 N ATOM 1013 CA ASP A 66 -15.413 9.385 0.674 1.00 0.23 C ATOM 1014 C ASP A 66 -15.374 9.862 2.122 1.00 0.23 C ATOM 1015 O ASP A 66 -16.159 10.709 2.543 1.00 0.26 O ATOM 1016 CB ASP A 66 -16.848 9.427 0.131 1.00 0.27 C ATOM 1017 CG ASP A 66 -17.253 10.814 -0.322 1.00 0.35 C ATOM 1018 OD1 ASP A 66 -16.840 11.229 -1.421 1.00 1.04 O ATOM 1019 OD2 ASP A 66 -18.007 11.492 0.409 1.00 1.10 O ATOM 0 H ASP A 66 -13.936 8.028 0.087 1.00 0.20 H new ATOM 0 HA ASP A 66 -14.810 10.058 0.065 1.00 0.23 H new ATOM 0 HB2 ASP A 66 -16.938 8.734 -0.705 1.00 0.27 H new ATOM 0 HB3 ASP A 66 -17.536 9.085 0.904 1.00 0.27 H new ATOM 1024 N LYS A 67 -14.444 9.309 2.878 1.00 0.21 N ATOM 1025 CA LYS A 67 -14.280 9.653 4.273 1.00 0.22 C ATOM 1026 C LYS A 67 -12.797 9.793 4.614 1.00 0.21 C ATOM 1027 O LYS A 67 -11.968 9.047 4.094 1.00 0.23 O ATOM 1028 CB LYS A 67 -14.920 8.569 5.132 1.00 0.23 C ATOM 1029 CG LYS A 67 -14.503 8.598 6.590 1.00 0.25 C ATOM 1030 CD LYS A 67 -15.069 9.808 7.324 1.00 0.35 C ATOM 1031 CE LYS A 67 -14.411 9.970 8.683 1.00 1.15 C ATOM 1032 NZ LYS A 67 -15.050 11.025 9.508 1.00 1.59 N ATOM 0 H LYS A 67 -13.783 8.610 2.540 1.00 0.21 H new ATOM 0 HA LYS A 67 -14.767 10.608 4.471 1.00 0.22 H new ATOM 0 HB2 LYS A 67 -16.004 8.669 5.075 1.00 0.23 H new ATOM 0 HB3 LYS A 67 -14.668 7.595 4.714 1.00 0.23 H new ATOM 0 HG2 LYS A 67 -14.841 7.686 7.081 1.00 0.25 H new ATOM 0 HG3 LYS A 67 -13.415 8.611 6.655 1.00 0.25 H new ATOM 0 HD2 LYS A 67 -14.911 10.707 6.729 1.00 0.35 H new ATOM 0 HD3 LYS A 67 -16.146 9.693 7.448 1.00 0.35 H new ATOM 0 HE2 LYS A 67 -14.453 9.021 9.218 1.00 1.15 H new ATOM 0 HE3 LYS A 67 -13.357 10.211 8.545 1.00 1.15 H new ATOM 0 HZ1 LYS A 67 -14.315 11.616 9.946 1.00 1.59 H new ATOM 0 HZ2 LYS A 67 -15.657 11.617 8.905 1.00 1.59 H new ATOM 0 HZ3 LYS A 67 -15.627 10.582 10.252 1.00 1.59 H new ATOM 1046 N GLU A 68 -12.469 10.769 5.452 1.00 0.24 N ATOM 1047 CA GLU A 68 -11.099 10.970 5.885 1.00 0.26 C ATOM 1048 C GLU A 68 -10.704 9.823 6.807 1.00 0.23 C ATOM 1049 O GLU A 68 -11.479 9.421 7.667 1.00 0.34 O ATOM 1050 CB GLU A 68 -10.968 12.329 6.580 1.00 0.34 C ATOM 1051 CG GLU A 68 -11.932 12.546 7.743 1.00 1.35 C ATOM 1052 CD GLU A 68 -11.341 12.194 9.102 1.00 1.92 C ATOM 1053 OE1 GLU A 68 -10.110 12.338 9.284 1.00 2.51 O ATOM 1054 OE2 GLU A 68 -12.112 11.796 10.004 1.00 2.55 O ATOM 0 H GLU A 68 -13.137 11.433 5.844 1.00 0.24 H new ATOM 0 HA GLU A 68 -10.424 10.975 5.029 1.00 0.26 H new ATOM 0 HB2 GLU A 68 -9.947 12.437 6.947 1.00 0.34 H new ATOM 0 HB3 GLU A 68 -11.127 13.116 5.843 1.00 0.34 H new ATOM 0 HG2 GLU A 68 -12.247 13.590 7.753 1.00 1.35 H new ATOM 0 HG3 GLU A 68 -12.826 11.945 7.579 1.00 1.35 H new ATOM 1061 N ALA A 69 -9.519 9.282 6.614 1.00 0.20 N ATOM 1062 CA ALA A 69 -9.075 8.159 7.419 1.00 0.18 C ATOM 1063 C ALA A 69 -7.725 8.423 8.058 1.00 0.21 C ATOM 1064 O ALA A 69 -6.851 9.057 7.459 1.00 0.31 O ATOM 1065 CB ALA A 69 -9.008 6.905 6.566 1.00 0.18 C ATOM 0 H ALA A 69 -8.849 9.597 5.913 1.00 0.20 H new ATOM 0 HA ALA A 69 -9.800 8.018 8.221 1.00 0.18 H new ATOM 0 HB1 ALA A 69 -8.674 6.067 7.177 1.00 0.18 H new ATOM 0 HB2 ALA A 69 -9.996 6.688 6.161 1.00 0.18 H new ATOM 0 HB3 ALA A 69 -8.306 7.059 5.747 1.00 0.18 H new ATOM 1071 N ASP A 70 -7.567 7.925 9.276 1.00 0.20 N ATOM 1072 CA ASP A 70 -6.321 8.065 10.012 1.00 0.24 C ATOM 1073 C ASP A 70 -5.348 7.018 9.499 1.00 0.22 C ATOM 1074 O ASP A 70 -5.592 5.816 9.630 1.00 0.25 O ATOM 1075 CB ASP A 70 -6.544 7.878 11.520 1.00 0.31 C ATOM 1076 CG ASP A 70 -7.708 8.688 12.057 1.00 1.14 C ATOM 1077 OD1 ASP A 70 -7.550 9.911 12.269 1.00 1.87 O ATOM 1078 OD2 ASP A 70 -8.785 8.102 12.293 1.00 1.95 O ATOM 0 H ASP A 70 -8.294 7.416 9.778 1.00 0.20 H new ATOM 0 HA ASP A 70 -5.922 9.068 9.860 1.00 0.24 H new ATOM 0 HB2 ASP A 70 -6.719 6.822 11.727 1.00 0.31 H new ATOM 0 HB3 ASP A 70 -5.636 8.161 12.053 1.00 0.31 H new ATOM 1083 N MET A 71 -4.258 7.471 8.907 1.00 0.20 N ATOM 1084 CA MET A 71 -3.280 6.561 8.346 1.00 0.20 C ATOM 1085 C MET A 71 -1.908 6.734 8.976 1.00 0.22 C ATOM 1086 O MET A 71 -1.620 7.745 9.623 1.00 0.26 O ATOM 1087 CB MET A 71 -3.165 6.783 6.846 1.00 0.22 C ATOM 1088 CG MET A 71 -4.489 6.679 6.129 1.00 0.19 C ATOM 1089 SD MET A 71 -4.507 7.584 4.580 1.00 0.20 S ATOM 1090 CE MET A 71 -6.267 7.635 4.298 1.00 0.20 C ATOM 0 H MET A 71 -4.029 8.460 8.803 1.00 0.20 H new ATOM 0 HA MET A 71 -3.626 5.549 8.556 1.00 0.20 H new ATOM 0 HB2 MET A 71 -2.736 7.768 6.662 1.00 0.22 H new ATOM 0 HB3 MET A 71 -2.474 6.051 6.428 1.00 0.22 H new ATOM 0 HG2 MET A 71 -4.712 5.630 5.935 1.00 0.19 H new ATOM 0 HG3 MET A 71 -5.280 7.058 6.776 1.00 0.19 H new ATOM 0 HE1 MET A 71 -6.464 8.021 3.298 1.00 0.20 H new ATOM 0 HE2 MET A 71 -6.679 6.630 4.387 1.00 0.20 H new ATOM 0 HE3 MET A 71 -6.735 8.286 5.037 1.00 0.20 H new ATOM 1100 N GLU A 72 -1.073 5.735 8.764 1.00 0.24 N ATOM 1101 CA GLU A 72 0.289 5.733 9.251 1.00 0.25 C ATOM 1102 C GLU A 72 1.112 4.848 8.330 1.00 0.26 C ATOM 1103 O GLU A 72 0.601 3.868 7.795 1.00 0.29 O ATOM 1104 CB GLU A 72 0.355 5.226 10.700 1.00 0.28 C ATOM 1105 CG GLU A 72 1.770 4.917 11.175 1.00 0.30 C ATOM 1106 CD GLU A 72 1.959 5.132 12.662 1.00 0.67 C ATOM 1107 OE1 GLU A 72 1.074 4.746 13.451 1.00 1.32 O ATOM 1108 OE2 GLU A 72 3.005 5.683 13.056 1.00 1.47 O ATOM 0 H GLU A 72 -1.326 4.895 8.244 1.00 0.24 H new ATOM 0 HA GLU A 72 0.687 6.748 9.251 1.00 0.25 H new ATOM 0 HB2 GLU A 72 -0.085 5.975 11.358 1.00 0.28 H new ATOM 0 HB3 GLU A 72 -0.254 4.326 10.789 1.00 0.28 H new ATOM 0 HG2 GLU A 72 2.011 3.883 10.930 1.00 0.30 H new ATOM 0 HG3 GLU A 72 2.475 5.546 10.631 1.00 0.30 H new ATOM 1115 N THR A 73 2.361 5.207 8.108 1.00 0.26 N ATOM 1116 CA THR A 73 3.218 4.416 7.246 1.00 0.28 C ATOM 1117 C THR A 73 4.187 3.585 8.066 1.00 0.30 C ATOM 1118 O THR A 73 4.346 3.795 9.271 1.00 0.36 O ATOM 1119 CB THR A 73 4.031 5.298 6.282 1.00 0.28 C ATOM 1120 OG1 THR A 73 5.068 5.975 7.003 1.00 0.28 O ATOM 1121 CG2 THR A 73 3.147 6.320 5.593 1.00 0.32 C ATOM 0 H THR A 73 2.803 6.034 8.509 1.00 0.26 H new ATOM 0 HA THR A 73 2.562 3.766 6.667 1.00 0.28 H new ATOM 0 HB THR A 73 4.468 4.652 5.521 1.00 0.28 H new ATOM 0 HG1 THR A 73 5.833 6.127 6.410 1.00 0.28 H new ATOM 0 HG21 THR A 73 3.751 6.928 4.919 1.00 0.32 H new ATOM 0 HG22 THR A 73 2.373 5.806 5.023 1.00 0.32 H new ATOM 0 HG23 THR A 73 2.682 6.962 6.341 1.00 0.32 H new ATOM 1129 N MET A 74 4.834 2.645 7.398 1.00 0.32 N ATOM 1130 CA MET A 74 5.821 1.793 8.017 1.00 0.34 C ATOM 1131 C MET A 74 7.019 2.622 8.490 1.00 0.31 C ATOM 1132 O MET A 74 7.857 2.133 9.251 1.00 0.37 O ATOM 1133 CB MET A 74 6.288 0.738 7.019 1.00 0.42 C ATOM 1134 CG MET A 74 5.257 -0.337 6.716 1.00 0.76 C ATOM 1135 SD MET A 74 5.935 -1.671 5.709 1.00 0.93 S ATOM 1136 CE MET A 74 4.550 -2.803 5.695 1.00 1.05 C ATOM 0 H MET A 74 4.685 2.455 6.407 1.00 0.32 H new ATOM 0 HA MET A 74 5.370 1.303 8.880 1.00 0.34 H new ATOM 0 HB2 MET A 74 6.564 1.233 6.088 1.00 0.42 H new ATOM 0 HB3 MET A 74 7.189 0.262 7.406 1.00 0.42 H new ATOM 0 HG2 MET A 74 4.878 -0.748 7.652 1.00 0.76 H new ATOM 0 HG3 MET A 74 4.409 0.111 6.198 1.00 0.76 H new ATOM 0 HE1 MET A 74 4.912 -3.819 5.541 1.00 1.05 H new ATOM 0 HE2 MET A 74 4.024 -2.746 6.648 1.00 1.05 H new ATOM 0 HE3 MET A 74 3.869 -2.534 4.888 1.00 1.05 H new ATOM 1146 N GLY A 75 7.093 3.865 8.011 1.00 0.28 N ATOM 1147 CA GLY A 75 8.166 4.760 8.386 1.00 0.31 C ATOM 1148 C GLY A 75 7.832 5.568 9.630 1.00 0.35 C ATOM 1149 O GLY A 75 8.689 6.260 10.176 1.00 0.48 O ATOM 0 H GLY A 75 6.416 4.267 7.362 1.00 0.28 H new ATOM 0 HA2 GLY A 75 9.073 4.183 8.563 1.00 0.31 H new ATOM 0 HA3 GLY A 75 8.376 5.439 7.560 1.00 0.31 H new ATOM 1153 N GLY A 76 6.579 5.492 10.071 1.00 0.34 N ATOM 1154 CA GLY A 76 6.159 6.208 11.265 1.00 0.39 C ATOM 1155 C GLY A 76 5.545 7.568 10.972 1.00 0.38 C ATOM 1156 O GLY A 76 5.673 8.498 11.771 1.00 0.48 O ATOM 0 H GLY A 76 5.844 4.946 9.621 1.00 0.34 H new ATOM 0 HA2 GLY A 76 5.435 5.600 11.807 1.00 0.39 H new ATOM 0 HA3 GLY A 76 7.019 6.340 11.921 1.00 0.39 H new ATOM 1160 N ARG A 77 4.890 7.696 9.828 1.00 0.38 N ATOM 1161 CA ARG A 77 4.250 8.952 9.462 1.00 0.38 C ATOM 1162 C ARG A 77 2.801 8.983 9.933 1.00 0.37 C ATOM 1163 O ARG A 77 2.009 8.112 9.580 1.00 0.36 O ATOM 1164 CB ARG A 77 4.280 9.157 7.947 1.00 0.37 C ATOM 1165 CG ARG A 77 5.639 8.925 7.315 1.00 0.39 C ATOM 1166 CD ARG A 77 5.565 8.982 5.797 1.00 0.43 C ATOM 1167 NE ARG A 77 6.231 10.163 5.249 1.00 0.52 N ATOM 1168 CZ ARG A 77 7.421 10.141 4.645 1.00 0.67 C ATOM 1169 NH1 ARG A 77 8.081 9.002 4.495 1.00 0.80 N ATOM 1170 NH2 ARG A 77 7.947 11.266 4.181 1.00 0.85 N ATOM 0 H ARG A 77 4.787 6.950 9.140 1.00 0.38 H new ATOM 0 HA ARG A 77 4.806 9.753 9.949 1.00 0.38 H new ATOM 0 HB2 ARG A 77 3.558 8.483 7.486 1.00 0.37 H new ATOM 0 HB3 ARG A 77 3.956 10.173 7.723 1.00 0.37 H new ATOM 0 HG2 ARG A 77 6.342 9.677 7.675 1.00 0.39 H new ATOM 0 HG3 ARG A 77 6.025 7.954 7.625 1.00 0.39 H new ATOM 0 HD2 ARG A 77 6.022 8.085 5.380 1.00 0.43 H new ATOM 0 HD3 ARG A 77 4.520 8.981 5.487 1.00 0.43 H new ATOM 0 HE ARG A 77 5.755 11.061 5.334 1.00 0.52 H new ATOM 0 HH11 ARG A 77 7.680 8.131 4.843 1.00 0.80 H new ATOM 0 HH12 ARG A 77 8.990 8.996 4.032 1.00 0.80 H new ATOM 0 HH21 ARG A 77 7.442 12.146 4.286 1.00 0.85 H new ATOM 0 HH22 ARG A 77 8.856 11.251 3.719 1.00 0.85 H new ATOM 1184 N LYS A 78 2.465 9.982 10.737 1.00 0.42 N ATOM 1185 CA LYS A 78 1.105 10.152 11.236 1.00 0.43 C ATOM 1186 C LYS A 78 0.384 11.149 10.345 1.00 0.39 C ATOM 1187 O LYS A 78 0.818 12.297 10.218 1.00 0.44 O ATOM 1188 CB LYS A 78 1.116 10.669 12.678 1.00 0.57 C ATOM 1189 CG LYS A 78 2.076 9.935 13.597 1.00 0.75 C ATOM 1190 CD LYS A 78 1.565 8.552 13.965 1.00 1.12 C ATOM 1191 CE LYS A 78 2.335 7.966 15.136 1.00 1.69 C ATOM 1192 NZ LYS A 78 1.893 6.584 15.452 1.00 1.76 N ATOM 0 H LYS A 78 3.121 10.693 11.061 1.00 0.42 H new ATOM 0 HA LYS A 78 0.595 9.189 11.222 1.00 0.43 H new ATOM 0 HB2 LYS A 78 1.376 11.727 12.670 1.00 0.57 H new ATOM 0 HB3 LYS A 78 0.109 10.592 13.087 1.00 0.57 H new ATOM 0 HG2 LYS A 78 3.047 9.845 13.110 1.00 0.75 H new ATOM 0 HG3 LYS A 78 2.227 10.519 14.505 1.00 0.75 H new ATOM 0 HD2 LYS A 78 0.506 8.610 14.217 1.00 1.12 H new ATOM 0 HD3 LYS A 78 1.652 7.890 13.103 1.00 1.12 H new ATOM 0 HE2 LYS A 78 3.400 7.963 14.905 1.00 1.69 H new ATOM 0 HE3 LYS A 78 2.201 8.600 16.013 1.00 1.69 H new ATOM 0 HZ1 LYS A 78 2.003 6.409 16.471 1.00 1.76 H new ATOM 0 HZ2 LYS A 78 0.894 6.470 15.187 1.00 1.76 H new ATOM 0 HZ3 LYS A 78 2.472 5.904 14.919 1.00 1.76 H new ATOM 1206 N PHE A 79 -0.712 10.730 9.734 1.00 0.33 N ATOM 1207 CA PHE A 79 -1.450 11.608 8.836 1.00 0.31 C ATOM 1208 C PHE A 79 -2.849 11.085 8.556 1.00 0.28 C ATOM 1209 O PHE A 79 -3.225 10.004 9.008 1.00 0.29 O ATOM 1210 CB PHE A 79 -0.677 11.743 7.517 1.00 0.31 C ATOM 1211 CG PHE A 79 -0.567 10.448 6.758 1.00 0.28 C ATOM 1212 CD1 PHE A 79 0.373 9.506 7.124 1.00 1.07 C ATOM 1213 CD2 PHE A 79 -1.412 10.172 5.696 1.00 1.17 C ATOM 1214 CE1 PHE A 79 0.475 8.310 6.451 1.00 1.09 C ATOM 1215 CE2 PHE A 79 -1.319 8.973 5.017 1.00 1.16 C ATOM 1216 CZ PHE A 79 -0.374 8.035 5.393 1.00 0.26 C ATOM 0 H PHE A 79 -1.109 9.796 9.841 1.00 0.33 H new ATOM 0 HA PHE A 79 -1.551 12.580 9.319 1.00 0.31 H new ATOM 0 HB2 PHE A 79 -1.171 12.484 6.888 1.00 0.31 H new ATOM 0 HB3 PHE A 79 0.324 12.119 7.727 1.00 0.31 H new ATOM 0 HD1 PHE A 79 1.038 9.710 7.950 1.00 1.07 H new ATOM 0 HD2 PHE A 79 -2.150 10.901 5.396 1.00 1.17 H new ATOM 0 HE1 PHE A 79 1.218 7.585 6.749 1.00 1.09 H new ATOM 0 HE2 PHE A 79 -1.985 8.767 4.192 1.00 1.16 H new ATOM 0 HZ PHE A 79 -0.299 7.096 4.865 1.00 0.26 H new ATOM 1226 N LYS A 80 -3.607 11.870 7.810 1.00 0.29 N ATOM 1227 CA LYS A 80 -4.963 11.515 7.431 1.00 0.33 C ATOM 1228 C LYS A 80 -5.234 11.959 6.005 1.00 0.27 C ATOM 1229 O LYS A 80 -4.768 13.014 5.576 1.00 0.28 O ATOM 1230 CB LYS A 80 -5.971 12.153 8.382 1.00 0.44 C ATOM 1231 CG LYS A 80 -5.907 11.576 9.783 1.00 0.65 C ATOM 1232 CD LYS A 80 -5.895 12.658 10.845 1.00 0.81 C ATOM 1233 CE LYS A 80 -7.269 13.289 11.010 1.00 1.64 C ATOM 1234 NZ LYS A 80 -8.322 12.270 11.293 1.00 2.55 N ATOM 0 H LYS A 80 -3.299 12.773 7.450 1.00 0.29 H new ATOM 0 HA LYS A 80 -5.070 10.432 7.493 1.00 0.33 H new ATOM 0 HB2 LYS A 80 -5.790 13.227 8.428 1.00 0.44 H new ATOM 0 HB3 LYS A 80 -6.976 12.016 7.983 1.00 0.44 H new ATOM 0 HG2 LYS A 80 -6.763 10.920 9.944 1.00 0.65 H new ATOM 0 HG3 LYS A 80 -5.012 10.962 9.881 1.00 0.65 H new ATOM 0 HD2 LYS A 80 -5.571 12.234 11.795 1.00 0.81 H new ATOM 0 HD3 LYS A 80 -5.170 13.426 10.576 1.00 0.81 H new ATOM 0 HE2 LYS A 80 -7.239 14.015 11.823 1.00 1.64 H new ATOM 0 HE3 LYS A 80 -7.528 13.836 10.103 1.00 1.64 H new ATOM 0 HZ1 LYS A 80 -8.981 12.641 12.007 1.00 2.55 H new ATOM 0 HZ2 LYS A 80 -8.843 12.057 10.419 1.00 2.55 H new ATOM 0 HZ3 LYS A 80 -7.877 11.401 11.651 1.00 2.55 H new ATOM 1248 N ALA A 81 -5.980 11.152 5.278 1.00 0.24 N ATOM 1249 CA ALA A 81 -6.303 11.454 3.897 1.00 0.20 C ATOM 1250 C ALA A 81 -7.703 10.966 3.559 1.00 0.19 C ATOM 1251 O ALA A 81 -8.260 10.126 4.267 1.00 0.19 O ATOM 1252 CB ALA A 81 -5.280 10.816 2.969 1.00 0.21 C ATOM 0 H ALA A 81 -6.376 10.277 5.622 1.00 0.24 H new ATOM 0 HA ALA A 81 -6.274 12.535 3.760 1.00 0.20 H new ATOM 0 HB1 ALA A 81 -5.532 11.049 1.934 1.00 0.21 H new ATOM 0 HB2 ALA A 81 -4.288 11.206 3.198 1.00 0.21 H new ATOM 0 HB3 ALA A 81 -5.286 9.735 3.109 1.00 0.21 H new ATOM 1258 N THR A 82 -8.270 11.492 2.488 1.00 0.19 N ATOM 1259 CA THR A 82 -9.593 11.088 2.063 1.00 0.19 C ATOM 1260 C THR A 82 -9.474 10.155 0.868 1.00 0.20 C ATOM 1261 O THR A 82 -8.886 10.511 -0.153 1.00 0.28 O ATOM 1262 CB THR A 82 -10.480 12.299 1.703 1.00 0.23 C ATOM 1263 OG1 THR A 82 -10.229 13.377 2.619 1.00 0.33 O ATOM 1264 CG2 THR A 82 -11.950 11.915 1.763 1.00 0.25 C ATOM 0 H THR A 82 -7.833 12.200 1.898 1.00 0.19 H new ATOM 0 HA THR A 82 -10.072 10.572 2.895 1.00 0.19 H new ATOM 0 HB THR A 82 -10.238 12.618 0.689 1.00 0.23 H new ATOM 0 HG1 THR A 82 -10.793 14.143 2.385 1.00 0.33 H new ATOM 0 HG21 THR A 82 -12.563 12.779 1.507 1.00 0.25 H new ATOM 0 HG22 THR A 82 -12.145 11.109 1.055 1.00 0.25 H new ATOM 0 HG23 THR A 82 -12.198 11.581 2.770 1.00 0.25 H new ATOM 1272 N VAL A 83 -10.021 8.958 1.003 1.00 0.15 N ATOM 1273 CA VAL A 83 -9.948 7.962 -0.049 1.00 0.15 C ATOM 1274 C VAL A 83 -11.278 7.871 -0.778 1.00 0.16 C ATOM 1275 O VAL A 83 -12.328 7.946 -0.154 1.00 0.19 O ATOM 1276 CB VAL A 83 -9.582 6.577 0.525 1.00 0.15 C ATOM 1277 CG1 VAL A 83 -9.490 5.541 -0.581 1.00 0.15 C ATOM 1278 CG2 VAL A 83 -8.272 6.645 1.295 1.00 0.19 C ATOM 0 H VAL A 83 -10.523 8.653 1.837 1.00 0.15 H new ATOM 0 HA VAL A 83 -9.169 8.268 -0.747 1.00 0.15 H new ATOM 0 HB VAL A 83 -10.373 6.277 1.212 1.00 0.15 H new ATOM 0 HG11 VAL A 83 -9.231 4.573 -0.152 1.00 0.15 H new ATOM 0 HG12 VAL A 83 -10.451 5.467 -1.091 1.00 0.15 H new ATOM 0 HG13 VAL A 83 -8.722 5.839 -1.295 1.00 0.15 H new ATOM 0 HG21 VAL A 83 -8.032 5.659 1.692 1.00 0.19 H new ATOM 0 HG22 VAL A 83 -7.474 6.972 0.628 1.00 0.19 H new ATOM 0 HG23 VAL A 83 -8.370 7.353 2.118 1.00 0.19 H new ATOM 1288 N LYS A 84 -11.227 7.725 -2.094 1.00 0.17 N ATOM 1289 CA LYS A 84 -12.433 7.616 -2.901 1.00 0.19 C ATOM 1290 C LYS A 84 -12.348 6.382 -3.792 1.00 0.19 C ATOM 1291 O LYS A 84 -11.348 5.659 -3.772 1.00 0.21 O ATOM 1292 CB LYS A 84 -12.625 8.877 -3.745 1.00 0.21 C ATOM 1293 CG LYS A 84 -11.433 9.189 -4.626 1.00 0.26 C ATOM 1294 CD LYS A 84 -11.487 10.598 -5.183 1.00 0.42 C ATOM 1295 CE LYS A 84 -10.201 10.957 -5.912 1.00 0.49 C ATOM 1296 NZ LYS A 84 -10.457 11.728 -7.154 1.00 1.14 N ATOM 0 H LYS A 84 -10.359 7.679 -2.627 1.00 0.17 H new ATOM 0 HA LYS A 84 -13.294 7.514 -2.241 1.00 0.19 H new ATOM 0 HB2 LYS A 84 -13.510 8.757 -4.370 1.00 0.21 H new ATOM 0 HB3 LYS A 84 -12.813 9.724 -3.085 1.00 0.21 H new ATOM 0 HG2 LYS A 84 -10.515 9.062 -4.052 1.00 0.26 H new ATOM 0 HG3 LYS A 84 -11.395 8.476 -5.449 1.00 0.26 H new ATOM 0 HD2 LYS A 84 -12.332 10.689 -5.866 1.00 0.42 H new ATOM 0 HD3 LYS A 84 -11.656 11.305 -4.371 1.00 0.42 H new ATOM 0 HE2 LYS A 84 -9.561 11.540 -5.250 1.00 0.49 H new ATOM 0 HE3 LYS A 84 -9.658 10.044 -6.158 1.00 0.49 H new ATOM 0 HZ1 LYS A 84 -9.670 12.387 -7.322 1.00 1.14 H new ATOM 0 HZ2 LYS A 84 -10.538 11.074 -7.958 1.00 1.14 H new ATOM 0 HZ3 LYS A 84 -11.343 12.264 -7.054 1.00 1.14 H new ATOM 1310 N MET A 85 -13.389 6.139 -4.566 1.00 0.21 N ATOM 1311 CA MET A 85 -13.428 4.986 -5.451 1.00 0.22 C ATOM 1312 C MET A 85 -13.861 5.407 -6.847 1.00 0.28 C ATOM 1313 O MET A 85 -14.974 5.897 -7.038 1.00 0.41 O ATOM 1314 CB MET A 85 -14.381 3.929 -4.898 1.00 0.23 C ATOM 1315 CG MET A 85 -13.701 2.618 -4.556 1.00 0.21 C ATOM 1316 SD MET A 85 -14.875 1.365 -4.004 1.00 0.26 S ATOM 1317 CE MET A 85 -13.786 0.266 -3.108 1.00 0.25 C ATOM 0 H MET A 85 -14.223 6.726 -4.601 1.00 0.21 H new ATOM 0 HA MET A 85 -12.427 4.558 -5.511 1.00 0.22 H new ATOM 0 HB2 MET A 85 -14.866 4.321 -4.004 1.00 0.23 H new ATOM 0 HB3 MET A 85 -15.166 3.741 -5.630 1.00 0.23 H new ATOM 0 HG2 MET A 85 -13.164 2.250 -5.430 1.00 0.21 H new ATOM 0 HG3 MET A 85 -12.960 2.788 -3.775 1.00 0.21 H new ATOM 0 HE1 MET A 85 -14.370 -0.537 -2.657 1.00 0.25 H new ATOM 0 HE2 MET A 85 -13.053 -0.159 -3.794 1.00 0.25 H new ATOM 0 HE3 MET A 85 -13.270 0.823 -2.326 1.00 0.25 H new ATOM 1327 N GLU A 86 -12.985 5.211 -7.819 1.00 0.26 N ATOM 1328 CA GLU A 86 -13.281 5.586 -9.193 1.00 0.32 C ATOM 1329 C GLU A 86 -13.460 4.351 -10.068 1.00 0.29 C ATOM 1330 O GLU A 86 -12.486 3.768 -10.547 1.00 0.36 O ATOM 1331 CB GLU A 86 -12.166 6.465 -9.764 1.00 0.48 C ATOM 1332 CG GLU A 86 -11.869 7.704 -8.929 1.00 1.22 C ATOM 1333 CD GLU A 86 -10.729 8.534 -9.485 1.00 1.99 C ATOM 1334 OE1 GLU A 86 -9.944 8.003 -10.302 1.00 2.46 O ATOM 1335 OE2 GLU A 86 -10.608 9.723 -9.106 1.00 2.67 O ATOM 0 H GLU A 86 -12.064 4.795 -7.683 1.00 0.26 H new ATOM 0 HA GLU A 86 -14.213 6.151 -9.190 1.00 0.32 H new ATOM 0 HB2 GLU A 86 -11.256 5.871 -9.851 1.00 0.48 H new ATOM 0 HB3 GLU A 86 -12.441 6.775 -10.772 1.00 0.48 H new ATOM 0 HG2 GLU A 86 -12.766 8.321 -8.872 1.00 1.22 H new ATOM 0 HG3 GLU A 86 -11.627 7.400 -7.911 1.00 1.22 H new ATOM 1342 N GLY A 87 -14.707 3.952 -10.265 1.00 0.37 N ATOM 1343 CA GLY A 87 -15.006 2.794 -11.087 1.00 0.46 C ATOM 1344 C GLY A 87 -14.505 1.497 -10.484 1.00 0.38 C ATOM 1345 O GLY A 87 -13.941 0.654 -11.180 1.00 0.36 O ATOM 0 H GLY A 87 -15.525 4.413 -9.867 1.00 0.37 H new ATOM 0 HA2 GLY A 87 -16.084 2.728 -11.234 1.00 0.46 H new ATOM 0 HA3 GLY A 87 -14.558 2.928 -12.071 1.00 0.46 H new ATOM 1349 N GLY A 88 -14.709 1.336 -9.184 1.00 0.36 N ATOM 1350 CA GLY A 88 -14.274 0.127 -8.508 1.00 0.33 C ATOM 1351 C GLY A 88 -12.782 0.111 -8.235 1.00 0.27 C ATOM 1352 O GLY A 88 -12.184 -0.955 -8.092 1.00 0.32 O ATOM 0 H GLY A 88 -15.168 2.021 -8.584 1.00 0.36 H new ATOM 0 HA2 GLY A 88 -14.812 0.030 -7.565 1.00 0.33 H new ATOM 0 HA3 GLY A 88 -14.537 -0.739 -9.116 1.00 0.33 H new ATOM 1356 N LYS A 89 -12.177 1.288 -8.186 1.00 0.22 N ATOM 1357 CA LYS A 89 -10.750 1.414 -7.917 1.00 0.19 C ATOM 1358 C LYS A 89 -10.539 2.324 -6.726 1.00 0.17 C ATOM 1359 O LYS A 89 -10.994 3.470 -6.729 1.00 0.20 O ATOM 1360 CB LYS A 89 -9.995 1.987 -9.123 1.00 0.24 C ATOM 1361 CG LYS A 89 -10.155 1.181 -10.400 1.00 0.28 C ATOM 1362 CD LYS A 89 -9.033 1.467 -11.388 1.00 0.52 C ATOM 1363 CE LYS A 89 -9.259 0.766 -12.719 1.00 1.06 C ATOM 1364 NZ LYS A 89 -8.024 0.732 -13.546 1.00 1.76 N ATOM 0 H LYS A 89 -12.656 2.177 -8.330 1.00 0.22 H new ATOM 0 HA LYS A 89 -10.360 0.417 -7.711 1.00 0.19 H new ATOM 0 HB2 LYS A 89 -10.341 3.005 -9.304 1.00 0.24 H new ATOM 0 HB3 LYS A 89 -8.935 2.050 -8.877 1.00 0.24 H new ATOM 0 HG2 LYS A 89 -10.167 0.118 -10.161 1.00 0.28 H new ATOM 0 HG3 LYS A 89 -11.115 1.415 -10.861 1.00 0.28 H new ATOM 0 HD2 LYS A 89 -8.958 2.542 -11.552 1.00 0.52 H new ATOM 0 HD3 LYS A 89 -8.083 1.142 -10.963 1.00 0.52 H new ATOM 0 HE2 LYS A 89 -9.603 -0.252 -12.539 1.00 1.06 H new ATOM 0 HE3 LYS A 89 -10.050 1.277 -13.268 1.00 1.06 H new ATOM 0 HZ1 LYS A 89 -8.077 -0.061 -14.217 1.00 1.76 H new ATOM 0 HZ2 LYS A 89 -7.933 1.625 -14.071 1.00 1.76 H new ATOM 0 HZ3 LYS A 89 -7.196 0.608 -12.929 1.00 1.76 H new ATOM 1378 N ILE A 90 -9.879 1.814 -5.701 1.00 0.17 N ATOM 1379 CA ILE A 90 -9.616 2.613 -4.522 1.00 0.16 C ATOM 1380 C ILE A 90 -8.459 3.559 -4.791 1.00 0.17 C ATOM 1381 O ILE A 90 -7.312 3.129 -4.917 1.00 0.22 O ATOM 1382 CB ILE A 90 -9.297 1.755 -3.286 1.00 0.17 C ATOM 1383 CG1 ILE A 90 -10.188 0.506 -3.250 1.00 0.19 C ATOM 1384 CG2 ILE A 90 -9.492 2.594 -2.042 1.00 0.18 C ATOM 1385 CD1 ILE A 90 -10.515 0.010 -1.852 1.00 0.20 C ATOM 0 H ILE A 90 -9.520 0.860 -5.662 1.00 0.17 H new ATOM 0 HA ILE A 90 -10.525 3.174 -4.306 1.00 0.16 H new ATOM 0 HB ILE A 90 -8.262 1.418 -3.333 1.00 0.17 H new ATOM 0 HG12 ILE A 90 -11.120 0.724 -3.773 1.00 0.19 H new ATOM 0 HG13 ILE A 90 -9.693 -0.294 -3.800 1.00 0.19 H new ATOM 0 HG21 ILE A 90 -9.268 1.994 -1.160 1.00 0.18 H new ATOM 0 HG22 ILE A 90 -8.824 3.454 -2.075 1.00 0.18 H new ATOM 0 HG23 ILE A 90 -10.525 2.939 -1.994 1.00 0.18 H new ATOM 0 HD11 ILE A 90 -11.148 -0.875 -1.919 1.00 0.20 H new ATOM 0 HD12 ILE A 90 -9.592 -0.243 -1.330 1.00 0.20 H new ATOM 0 HD13 ILE A 90 -11.040 0.791 -1.302 1.00 0.20 H new ATOM 1397 N VAL A 91 -8.769 4.836 -4.902 1.00 0.15 N ATOM 1398 CA VAL A 91 -7.760 5.842 -5.181 1.00 0.17 C ATOM 1399 C VAL A 91 -7.622 6.818 -4.012 1.00 0.16 C ATOM 1400 O VAL A 91 -8.617 7.301 -3.461 1.00 0.16 O ATOM 1401 CB VAL A 91 -8.093 6.618 -6.477 1.00 0.20 C ATOM 1402 CG1 VAL A 91 -9.499 7.179 -6.422 1.00 0.25 C ATOM 1403 CG2 VAL A 91 -7.080 7.723 -6.727 1.00 0.25 C ATOM 0 H VAL A 91 -9.715 5.204 -4.803 1.00 0.15 H new ATOM 0 HA VAL A 91 -6.811 5.324 -5.319 1.00 0.17 H new ATOM 0 HB VAL A 91 -8.039 5.918 -7.311 1.00 0.20 H new ATOM 0 HG11 VAL A 91 -9.711 7.721 -7.344 1.00 0.25 H new ATOM 0 HG12 VAL A 91 -10.212 6.363 -6.309 1.00 0.25 H new ATOM 0 HG13 VAL A 91 -9.587 7.858 -5.574 1.00 0.25 H new ATOM 0 HG21 VAL A 91 -7.338 8.252 -7.644 1.00 0.25 H new ATOM 0 HG22 VAL A 91 -7.089 8.421 -5.890 1.00 0.25 H new ATOM 0 HG23 VAL A 91 -6.085 7.289 -6.826 1.00 0.25 H new ATOM 1413 N ALA A 92 -6.386 7.088 -3.631 1.00 0.18 N ATOM 1414 CA ALA A 92 -6.101 8.012 -2.550 1.00 0.19 C ATOM 1415 C ALA A 92 -5.304 9.195 -3.084 1.00 0.20 C ATOM 1416 O ALA A 92 -4.439 9.028 -3.949 1.00 0.25 O ATOM 1417 CB ALA A 92 -5.355 7.306 -1.431 1.00 0.22 C ATOM 0 H ALA A 92 -5.557 6.676 -4.059 1.00 0.18 H new ATOM 0 HA ALA A 92 -7.039 8.385 -2.138 1.00 0.19 H new ATOM 0 HB1 ALA A 92 -5.149 8.014 -0.628 1.00 0.22 H new ATOM 0 HB2 ALA A 92 -5.965 6.488 -1.047 1.00 0.22 H new ATOM 0 HB3 ALA A 92 -4.415 6.909 -1.814 1.00 0.22 H new ATOM 1423 N ASP A 93 -5.604 10.382 -2.581 1.00 0.22 N ATOM 1424 CA ASP A 93 -4.926 11.590 -3.031 1.00 0.26 C ATOM 1425 C ASP A 93 -3.887 12.052 -2.030 1.00 0.22 C ATOM 1426 O ASP A 93 -4.192 12.313 -0.863 1.00 0.23 O ATOM 1427 CB ASP A 93 -5.928 12.707 -3.286 1.00 0.37 C ATOM 1428 CG ASP A 93 -5.265 14.011 -3.695 1.00 0.50 C ATOM 1429 OD1 ASP A 93 -4.788 14.107 -4.847 1.00 0.88 O ATOM 1430 OD2 ASP A 93 -5.214 14.948 -2.872 1.00 1.19 O ATOM 0 H ASP A 93 -6.311 10.536 -1.862 1.00 0.22 H new ATOM 0 HA ASP A 93 -4.417 11.347 -3.964 1.00 0.26 H new ATOM 0 HB2 ASP A 93 -6.621 12.396 -4.068 1.00 0.37 H new ATOM 0 HB3 ASP A 93 -6.518 12.872 -2.385 1.00 0.37 H new ATOM 1435 N PHE A 94 -2.657 12.154 -2.505 1.00 0.22 N ATOM 1436 CA PHE A 94 -1.539 12.573 -1.681 1.00 0.21 C ATOM 1437 C PHE A 94 -0.630 13.509 -2.462 1.00 0.24 C ATOM 1438 O PHE A 94 -0.650 13.506 -3.698 1.00 0.26 O ATOM 1439 CB PHE A 94 -0.752 11.351 -1.213 1.00 0.21 C ATOM 1440 CG PHE A 94 -1.478 10.540 -0.189 1.00 0.20 C ATOM 1441 CD1 PHE A 94 -1.498 10.933 1.136 1.00 1.14 C ATOM 1442 CD2 PHE A 94 -2.149 9.391 -0.559 1.00 1.26 C ATOM 1443 CE1 PHE A 94 -2.176 10.187 2.078 1.00 1.14 C ATOM 1444 CE2 PHE A 94 -2.830 8.643 0.379 1.00 1.27 C ATOM 1445 CZ PHE A 94 -2.843 9.041 1.697 1.00 0.25 C ATOM 0 H PHE A 94 -2.407 11.949 -3.472 1.00 0.22 H new ATOM 0 HA PHE A 94 -1.924 13.105 -0.811 1.00 0.21 H new ATOM 0 HB2 PHE A 94 -0.527 10.721 -2.073 1.00 0.21 H new ATOM 0 HB3 PHE A 94 0.202 11.678 -0.799 1.00 0.21 H new ATOM 0 HD1 PHE A 94 -0.979 11.831 1.436 1.00 1.14 H new ATOM 0 HD2 PHE A 94 -2.141 9.075 -1.592 1.00 1.26 H new ATOM 0 HE1 PHE A 94 -2.185 10.500 3.112 1.00 1.14 H new ATOM 0 HE2 PHE A 94 -3.352 7.746 0.080 1.00 1.27 H new ATOM 0 HZ PHE A 94 -3.375 8.456 2.433 1.00 0.25 H new ATOM 1455 N PRO A 95 0.164 14.337 -1.766 1.00 0.26 N ATOM 1456 CA PRO A 95 1.083 15.266 -2.425 1.00 0.29 C ATOM 1457 C PRO A 95 2.167 14.530 -3.206 1.00 0.26 C ATOM 1458 O PRO A 95 3.025 13.866 -2.619 1.00 0.27 O ATOM 1459 CB PRO A 95 1.699 16.054 -1.263 1.00 0.36 C ATOM 1460 CG PRO A 95 1.481 15.218 -0.049 1.00 0.32 C ATOM 1461 CD PRO A 95 0.219 14.447 -0.294 1.00 0.28 C ATOM 0 HA PRO A 95 0.576 15.898 -3.154 1.00 0.29 H new ATOM 0 HB2 PRO A 95 2.761 16.232 -1.430 1.00 0.36 H new ATOM 0 HB3 PRO A 95 1.225 17.030 -1.157 1.00 0.36 H new ATOM 0 HG2 PRO A 95 2.322 14.545 0.117 1.00 0.32 H new ATOM 0 HG3 PRO A 95 1.390 15.840 0.841 1.00 0.32 H new ATOM 0 HD2 PRO A 95 0.249 13.466 0.181 1.00 0.28 H new ATOM 0 HD3 PRO A 95 -0.653 14.967 0.103 1.00 0.28 H new ATOM 1469 N ASN A 96 2.108 14.655 -4.533 1.00 0.27 N ATOM 1470 CA ASN A 96 3.066 14.017 -5.438 1.00 0.29 C ATOM 1471 C ASN A 96 3.023 12.492 -5.330 1.00 0.28 C ATOM 1472 O ASN A 96 3.895 11.797 -5.856 1.00 0.37 O ATOM 1473 CB ASN A 96 4.484 14.528 -5.174 1.00 0.35 C ATOM 1474 CG ASN A 96 5.265 14.763 -6.451 1.00 0.77 C ATOM 1475 OD1 ASN A 96 6.457 14.464 -6.527 1.00 1.27 O ATOM 1476 ND2 ASN A 96 4.608 15.316 -7.460 1.00 1.50 N ATOM 0 H ASN A 96 1.393 15.203 -5.012 1.00 0.27 H new ATOM 0 HA ASN A 96 2.778 14.285 -6.454 1.00 0.29 H new ATOM 0 HB2 ASN A 96 4.432 15.458 -4.608 1.00 0.35 H new ATOM 0 HB3 ASN A 96 5.017 13.807 -4.554 1.00 0.35 H new ATOM 0 HD21 ASN A 96 5.090 15.508 -8.338 1.00 1.50 H new ATOM 0 HD22 ASN A 96 3.620 15.550 -7.359 1.00 1.50 H new ATOM 1483 N TYR A 97 1.989 11.978 -4.673 1.00 0.23 N ATOM 1484 CA TYR A 97 1.824 10.548 -4.489 1.00 0.21 C ATOM 1485 C TYR A 97 0.412 10.145 -4.892 1.00 0.21 C ATOM 1486 O TYR A 97 -0.569 10.709 -4.407 1.00 0.24 O ATOM 1487 CB TYR A 97 2.105 10.170 -3.030 1.00 0.22 C ATOM 1488 CG TYR A 97 2.318 8.688 -2.790 1.00 0.23 C ATOM 1489 CD1 TYR A 97 1.275 7.779 -2.916 1.00 1.28 C ATOM 1490 CD2 TYR A 97 3.566 8.205 -2.414 1.00 1.14 C ATOM 1491 CE1 TYR A 97 1.469 6.430 -2.680 1.00 1.31 C ATOM 1492 CE2 TYR A 97 3.765 6.858 -2.174 1.00 1.14 C ATOM 1493 CZ TYR A 97 2.714 5.976 -2.308 1.00 0.32 C ATOM 1494 OH TYR A 97 2.907 4.635 -2.060 1.00 0.38 O ATOM 0 H TYR A 97 1.247 12.541 -4.256 1.00 0.23 H new ATOM 0 HA TYR A 97 2.534 10.014 -5.120 1.00 0.21 H new ATOM 0 HB2 TYR A 97 2.990 10.710 -2.693 1.00 0.22 H new ATOM 0 HB3 TYR A 97 1.272 10.508 -2.414 1.00 0.22 H new ATOM 0 HD1 TYR A 97 0.296 8.132 -3.203 1.00 1.28 H new ATOM 0 HD2 TYR A 97 4.392 8.892 -2.308 1.00 1.14 H new ATOM 0 HE1 TYR A 97 0.648 5.737 -2.787 1.00 1.31 H new ATOM 0 HE2 TYR A 97 4.741 6.498 -1.883 1.00 1.14 H new ATOM 0 HH TYR A 97 3.842 4.480 -1.810 1.00 0.38 H new ATOM 1504 N HIS A 98 0.319 9.174 -5.781 1.00 0.21 N ATOM 1505 CA HIS A 98 -0.963 8.695 -6.266 1.00 0.22 C ATOM 1506 C HIS A 98 -1.081 7.203 -6.006 1.00 0.21 C ATOM 1507 O HIS A 98 -0.321 6.416 -6.565 1.00 0.24 O ATOM 1508 CB HIS A 98 -1.096 8.984 -7.767 1.00 0.25 C ATOM 1509 CG HIS A 98 -2.506 8.985 -8.265 1.00 0.52 C ATOM 1510 ND1 HIS A 98 -3.421 9.957 -7.928 1.00 0.81 N ATOM 1511 CD2 HIS A 98 -3.154 8.140 -9.103 1.00 0.81 C ATOM 1512 CE1 HIS A 98 -4.570 9.703 -8.525 1.00 1.09 C ATOM 1513 NE2 HIS A 98 -4.435 8.607 -9.245 1.00 1.09 N ATOM 0 H HIS A 98 1.125 8.697 -6.186 1.00 0.21 H new ATOM 0 HA HIS A 98 -1.764 9.212 -5.738 1.00 0.22 H new ATOM 0 HB2 HIS A 98 -0.646 9.953 -7.981 1.00 0.25 H new ATOM 0 HB3 HIS A 98 -0.526 8.238 -8.322 1.00 0.25 H new ATOM 0 HD2 HIS A 98 -2.738 7.261 -9.572 1.00 0.81 H new ATOM 0 HE1 HIS A 98 -5.470 10.294 -8.438 1.00 1.09 H new ATOM 0 HE2 HIS A 98 -5.164 8.177 -9.814 1.00 1.09 H new ATOM 1522 N HIS A 99 -2.023 6.820 -5.156 1.00 0.21 N ATOM 1523 CA HIS A 99 -2.218 5.414 -4.818 1.00 0.22 C ATOM 1524 C HIS A 99 -3.554 4.913 -5.346 1.00 0.21 C ATOM 1525 O HIS A 99 -4.610 5.398 -4.942 1.00 0.23 O ATOM 1526 CB HIS A 99 -2.164 5.226 -3.295 1.00 0.26 C ATOM 1527 CG HIS A 99 -1.882 3.815 -2.860 1.00 0.32 C ATOM 1528 ND1 HIS A 99 -0.985 3.547 -1.856 1.00 0.67 N ATOM 1529 CD2 HIS A 99 -2.430 2.647 -3.283 1.00 0.52 C ATOM 1530 CE1 HIS A 99 -1.000 2.235 -1.694 1.00 0.64 C ATOM 1531 NE2 HIS A 99 -1.860 1.648 -2.535 1.00 0.49 N ATOM 0 H HIS A 99 -2.664 7.460 -4.688 1.00 0.21 H new ATOM 0 HA HIS A 99 -1.419 4.837 -5.284 1.00 0.22 H new ATOM 0 HB2 HIS A 99 -1.395 5.881 -2.886 1.00 0.26 H new ATOM 0 HB3 HIS A 99 -3.115 5.544 -2.867 1.00 0.26 H new ATOM 0 HD1 HIS A 99 -0.422 4.223 -1.340 1.00 0.67 H new ATOM 0 HD2 HIS A 99 -3.172 2.527 -4.059 1.00 0.52 H new ATOM 0 HE1 HIS A 99 -0.395 1.704 -0.974 1.00 0.64 H new ATOM 1539 N THR A 100 -3.500 3.967 -6.271 1.00 0.22 N ATOM 1540 CA THR A 100 -4.701 3.374 -6.829 1.00 0.22 C ATOM 1541 C THR A 100 -4.645 1.858 -6.688 1.00 0.23 C ATOM 1542 O THR A 100 -3.651 1.236 -7.068 1.00 0.31 O ATOM 1543 CB THR A 100 -4.875 3.738 -8.318 1.00 0.23 C ATOM 1544 OG1 THR A 100 -3.650 3.513 -9.027 1.00 0.26 O ATOM 1545 CG2 THR A 100 -5.292 5.189 -8.475 1.00 0.24 C ATOM 0 H THR A 100 -2.631 3.593 -6.652 1.00 0.22 H new ATOM 0 HA THR A 100 -5.552 3.771 -6.276 1.00 0.22 H new ATOM 0 HB THR A 100 -5.657 3.102 -8.732 1.00 0.23 H new ATOM 0 HG1 THR A 100 -3.771 3.745 -9.971 1.00 0.26 H new ATOM 0 HG21 THR A 100 -5.408 5.422 -9.534 1.00 0.24 H new ATOM 0 HG22 THR A 100 -6.239 5.353 -7.961 1.00 0.24 H new ATOM 0 HG23 THR A 100 -4.528 5.836 -8.043 1.00 0.24 H new ATOM 1553 N ALA A 101 -5.697 1.274 -6.139 1.00 0.21 N ATOM 1554 CA ALA A 101 -5.760 -0.168 -5.951 1.00 0.23 C ATOM 1555 C ALA A 101 -6.908 -0.760 -6.757 1.00 0.22 C ATOM 1556 O ALA A 101 -8.008 -0.204 -6.783 1.00 0.23 O ATOM 1557 CB ALA A 101 -5.917 -0.502 -4.479 1.00 0.26 C ATOM 0 H ALA A 101 -6.523 1.777 -5.814 1.00 0.21 H new ATOM 0 HA ALA A 101 -4.827 -0.605 -6.308 1.00 0.23 H new ATOM 0 HB1 ALA A 101 -5.963 -1.584 -4.354 1.00 0.26 H new ATOM 0 HB2 ALA A 101 -5.066 -0.108 -3.924 1.00 0.26 H new ATOM 0 HB3 ALA A 101 -6.836 -0.054 -4.100 1.00 0.26 H new ATOM 1563 N GLU A 102 -6.651 -1.888 -7.407 1.00 0.22 N ATOM 1564 CA GLU A 102 -7.664 -2.542 -8.219 1.00 0.23 C ATOM 1565 C GLU A 102 -7.390 -4.038 -8.339 1.00 0.24 C ATOM 1566 O GLU A 102 -6.441 -4.562 -7.748 1.00 0.26 O ATOM 1567 CB GLU A 102 -7.721 -1.908 -9.610 1.00 0.25 C ATOM 1568 CG GLU A 102 -6.517 -2.227 -10.482 1.00 0.33 C ATOM 1569 CD GLU A 102 -6.578 -1.520 -11.823 1.00 0.56 C ATOM 1570 OE1 GLU A 102 -6.097 -0.373 -11.924 1.00 1.38 O ATOM 1571 OE2 GLU A 102 -7.123 -2.100 -12.783 1.00 1.18 O ATOM 0 H GLU A 102 -5.751 -2.367 -7.387 1.00 0.22 H new ATOM 0 HA GLU A 102 -8.627 -2.409 -7.726 1.00 0.23 H new ATOM 0 HB2 GLU A 102 -8.624 -2.248 -10.117 1.00 0.25 H new ATOM 0 HB3 GLU A 102 -7.803 -0.826 -9.503 1.00 0.25 H new ATOM 0 HG2 GLU A 102 -5.605 -1.936 -9.961 1.00 0.33 H new ATOM 0 HG3 GLU A 102 -6.462 -3.304 -10.643 1.00 0.33 H new ATOM 1578 N ILE A 103 -8.222 -4.702 -9.128 1.00 0.27 N ATOM 1579 CA ILE A 103 -8.111 -6.126 -9.356 1.00 0.29 C ATOM 1580 C ILE A 103 -7.777 -6.380 -10.817 1.00 0.31 C ATOM 1581 O ILE A 103 -8.483 -5.920 -11.713 1.00 0.36 O ATOM 1582 CB ILE A 103 -9.426 -6.859 -9.004 1.00 0.31 C ATOM 1583 CG1 ILE A 103 -9.878 -6.507 -7.580 1.00 0.33 C ATOM 1584 CG2 ILE A 103 -9.252 -8.362 -9.157 1.00 0.36 C ATOM 1585 CD1 ILE A 103 -8.982 -7.068 -6.500 1.00 0.37 C ATOM 0 H ILE A 103 -8.995 -4.262 -9.628 1.00 0.27 H new ATOM 0 HA ILE A 103 -7.320 -6.510 -8.712 1.00 0.29 H new ATOM 0 HB ILE A 103 -10.201 -6.530 -9.697 1.00 0.31 H new ATOM 0 HG12 ILE A 103 -9.918 -5.422 -7.479 1.00 0.33 H new ATOM 0 HG13 ILE A 103 -10.891 -6.879 -7.428 1.00 0.33 H new ATOM 0 HG21 ILE A 103 -10.186 -8.864 -8.906 1.00 0.36 H new ATOM 0 HG22 ILE A 103 -8.981 -8.594 -10.187 1.00 0.36 H new ATOM 0 HG23 ILE A 103 -8.464 -8.707 -8.488 1.00 0.36 H new ATOM 0 HD11 ILE A 103 -9.365 -6.777 -5.522 1.00 0.37 H new ATOM 0 HD12 ILE A 103 -8.961 -8.155 -6.573 1.00 0.37 H new ATOM 0 HD13 ILE A 103 -7.972 -6.676 -6.625 1.00 0.37 H new ATOM 1597 N SER A 104 -6.688 -7.077 -11.051 1.00 0.34 N ATOM 1598 CA SER A 104 -6.265 -7.397 -12.401 1.00 0.38 C ATOM 1599 C SER A 104 -5.902 -8.872 -12.494 1.00 0.48 C ATOM 1600 O SER A 104 -4.858 -9.296 -12.002 1.00 0.88 O ATOM 1601 CB SER A 104 -5.079 -6.517 -12.790 1.00 0.55 C ATOM 1602 OG SER A 104 -5.469 -5.156 -12.902 1.00 1.37 O ATOM 0 H SER A 104 -6.074 -7.436 -10.320 1.00 0.34 H new ATOM 0 HA SER A 104 -7.082 -7.202 -13.096 1.00 0.38 H new ATOM 0 HB2 SER A 104 -4.291 -6.613 -12.043 1.00 0.55 H new ATOM 0 HB3 SER A 104 -4.664 -6.859 -13.738 1.00 0.55 H new ATOM 0 HG SER A 104 -4.692 -4.612 -13.150 1.00 1.37 H new ATOM 1608 N GLY A 105 -6.794 -9.652 -13.093 1.00 0.53 N ATOM 1609 CA GLY A 105 -6.570 -11.079 -13.234 1.00 0.64 C ATOM 1610 C GLY A 105 -6.643 -11.808 -11.908 1.00 0.63 C ATOM 1611 O GLY A 105 -5.902 -12.766 -11.675 1.00 0.96 O ATOM 0 H GLY A 105 -7.674 -9.319 -13.486 1.00 0.53 H new ATOM 0 HA2 GLY A 105 -7.312 -11.495 -13.916 1.00 0.64 H new ATOM 0 HA3 GLY A 105 -5.592 -11.248 -13.685 1.00 0.64 H new ATOM 1615 N GLY A 106 -7.540 -11.357 -11.040 1.00 0.49 N ATOM 1616 CA GLY A 106 -7.690 -11.969 -9.735 1.00 0.50 C ATOM 1617 C GLY A 106 -6.530 -11.645 -8.823 1.00 0.44 C ATOM 1618 O GLY A 106 -6.214 -12.410 -7.910 1.00 0.48 O ATOM 0 H GLY A 106 -8.169 -10.574 -11.219 1.00 0.49 H new ATOM 0 HA2 GLY A 106 -8.618 -11.626 -9.278 1.00 0.50 H new ATOM 0 HA3 GLY A 106 -7.771 -13.050 -9.848 1.00 0.50 H new ATOM 1622 N LYS A 107 -5.894 -10.516 -9.083 1.00 0.38 N ATOM 1623 CA LYS A 107 -4.750 -10.076 -8.306 1.00 0.35 C ATOM 1624 C LYS A 107 -4.900 -8.610 -7.926 1.00 0.32 C ATOM 1625 O LYS A 107 -5.477 -7.824 -8.681 1.00 0.33 O ATOM 1626 CB LYS A 107 -3.474 -10.259 -9.123 1.00 0.34 C ATOM 1627 CG LYS A 107 -2.877 -11.654 -9.051 1.00 0.38 C ATOM 1628 CD LYS A 107 -1.802 -11.828 -10.107 1.00 0.66 C ATOM 1629 CE LYS A 107 -1.168 -13.207 -10.054 1.00 0.75 C ATOM 1630 NZ LYS A 107 -2.115 -14.268 -10.484 1.00 1.22 N ATOM 0 H LYS A 107 -6.156 -9.880 -9.837 1.00 0.38 H new ATOM 0 HA LYS A 107 -4.694 -10.674 -7.397 1.00 0.35 H new ATOM 0 HB2 LYS A 107 -3.687 -10.022 -10.165 1.00 0.34 H new ATOM 0 HB3 LYS A 107 -2.730 -9.541 -8.778 1.00 0.34 H new ATOM 0 HG2 LYS A 107 -2.453 -11.824 -8.061 1.00 0.38 H new ATOM 0 HG3 LYS A 107 -3.660 -12.399 -9.195 1.00 0.38 H new ATOM 0 HD2 LYS A 107 -2.235 -11.666 -11.094 1.00 0.66 H new ATOM 0 HD3 LYS A 107 -1.032 -11.070 -9.968 1.00 0.66 H new ATOM 0 HE2 LYS A 107 -0.286 -13.226 -10.694 1.00 0.75 H new ATOM 0 HE3 LYS A 107 -0.829 -13.412 -9.039 1.00 0.75 H new ATOM 0 HZ1 LYS A 107 -1.617 -15.180 -10.531 1.00 1.22 H new ATOM 0 HZ2 LYS A 107 -2.895 -14.335 -9.800 1.00 1.22 H new ATOM 0 HZ3 LYS A 107 -2.497 -14.033 -11.422 1.00 1.22 H new ATOM 1644 N LEU A 108 -4.371 -8.254 -6.768 1.00 0.30 N ATOM 1645 CA LEU A 108 -4.424 -6.884 -6.286 1.00 0.28 C ATOM 1646 C LEU A 108 -3.175 -6.159 -6.738 1.00 0.27 C ATOM 1647 O LEU A 108 -2.066 -6.511 -6.343 1.00 0.29 O ATOM 1648 CB LEU A 108 -4.497 -6.866 -4.750 1.00 0.29 C ATOM 1649 CG LEU A 108 -5.226 -5.678 -4.104 1.00 0.34 C ATOM 1650 CD1 LEU A 108 -4.739 -4.347 -4.648 1.00 0.82 C ATOM 1651 CD2 LEU A 108 -6.724 -5.801 -4.288 1.00 0.76 C ATOM 0 H LEU A 108 -3.896 -8.901 -6.139 1.00 0.30 H new ATOM 0 HA LEU A 108 -5.310 -6.392 -6.687 1.00 0.28 H new ATOM 0 HB2 LEU A 108 -4.986 -7.783 -4.423 1.00 0.29 H new ATOM 0 HB3 LEU A 108 -3.479 -6.892 -4.361 1.00 0.29 H new ATOM 0 HG LEU A 108 -4.997 -5.704 -3.039 1.00 0.34 H new ATOM 0 HD11 LEU A 108 -5.282 -3.535 -4.163 1.00 0.82 H new ATOM 0 HD12 LEU A 108 -3.673 -4.241 -4.448 1.00 0.82 H new ATOM 0 HD13 LEU A 108 -4.913 -4.308 -5.723 1.00 0.82 H new ATOM 0 HD21 LEU A 108 -7.219 -4.949 -3.822 1.00 0.76 H new ATOM 0 HD22 LEU A 108 -6.959 -5.821 -5.352 1.00 0.76 H new ATOM 0 HD23 LEU A 108 -7.073 -6.722 -3.822 1.00 0.76 H new ATOM 1663 N VAL A 109 -3.354 -5.174 -7.587 1.00 0.28 N ATOM 1664 CA VAL A 109 -2.233 -4.404 -8.070 1.00 0.29 C ATOM 1665 C VAL A 109 -2.368 -2.960 -7.614 1.00 0.29 C ATOM 1666 O VAL A 109 -3.241 -2.218 -8.065 1.00 0.33 O ATOM 1667 CB VAL A 109 -2.085 -4.498 -9.609 1.00 0.30 C ATOM 1668 CG1 VAL A 109 -3.413 -4.234 -10.303 1.00 0.33 C ATOM 1669 CG2 VAL A 109 -1.008 -3.549 -10.113 1.00 0.32 C ATOM 0 H VAL A 109 -4.261 -4.888 -7.956 1.00 0.28 H new ATOM 0 HA VAL A 109 -1.322 -4.825 -7.645 1.00 0.29 H new ATOM 0 HB VAL A 109 -1.776 -5.514 -9.853 1.00 0.30 H new ATOM 0 HG11 VAL A 109 -3.280 -4.306 -11.382 1.00 0.33 H new ATOM 0 HG12 VAL A 109 -4.147 -4.972 -9.977 1.00 0.33 H new ATOM 0 HG13 VAL A 109 -3.765 -3.235 -10.047 1.00 0.33 H new ATOM 0 HG21 VAL A 109 -0.925 -3.635 -11.196 1.00 0.32 H new ATOM 0 HG22 VAL A 109 -1.273 -2.525 -9.850 1.00 0.32 H new ATOM 0 HG23 VAL A 109 -0.053 -3.806 -9.654 1.00 0.32 H new ATOM 1679 N GLU A 110 -1.523 -2.588 -6.670 1.00 0.28 N ATOM 1680 CA GLU A 110 -1.527 -1.241 -6.134 1.00 0.30 C ATOM 1681 C GLU A 110 -0.480 -0.403 -6.847 1.00 0.28 C ATOM 1682 O GLU A 110 0.713 -0.726 -6.832 1.00 0.34 O ATOM 1683 CB GLU A 110 -1.261 -1.260 -4.625 1.00 0.34 C ATOM 1684 CG GLU A 110 -2.438 -1.782 -3.815 1.00 0.71 C ATOM 1685 CD GLU A 110 -2.014 -2.582 -2.599 1.00 1.02 C ATOM 1686 OE1 GLU A 110 -1.656 -3.768 -2.762 1.00 1.69 O ATOM 1687 OE2 GLU A 110 -2.038 -2.031 -1.479 1.00 1.45 O ATOM 0 H GLU A 110 -0.822 -3.204 -6.258 1.00 0.28 H new ATOM 0 HA GLU A 110 -2.509 -0.799 -6.299 1.00 0.30 H new ATOM 0 HB2 GLU A 110 -0.387 -1.880 -4.425 1.00 0.34 H new ATOM 0 HB3 GLU A 110 -1.019 -0.251 -4.293 1.00 0.34 H new ATOM 0 HG2 GLU A 110 -3.052 -0.941 -3.493 1.00 0.71 H new ATOM 0 HG3 GLU A 110 -3.063 -2.406 -4.454 1.00 0.71 H new ATOM 1694 N ILE A 111 -0.934 0.648 -7.502 1.00 0.26 N ATOM 1695 CA ILE A 111 -0.047 1.534 -8.222 1.00 0.24 C ATOM 1696 C ILE A 111 0.220 2.779 -7.391 1.00 0.25 C ATOM 1697 O ILE A 111 -0.711 3.403 -6.874 1.00 0.30 O ATOM 1698 CB ILE A 111 -0.630 1.943 -9.596 1.00 0.26 C ATOM 1699 CG1 ILE A 111 -0.896 0.709 -10.466 1.00 0.29 C ATOM 1700 CG2 ILE A 111 0.321 2.888 -10.310 1.00 0.29 C ATOM 1701 CD1 ILE A 111 -2.316 0.182 -10.372 1.00 0.37 C ATOM 0 H ILE A 111 -1.919 0.908 -7.549 1.00 0.26 H new ATOM 0 HA ILE A 111 0.884 0.996 -8.401 1.00 0.24 H new ATOM 0 HB ILE A 111 -1.578 2.454 -9.425 1.00 0.26 H new ATOM 0 HG12 ILE A 111 -0.679 0.956 -11.505 1.00 0.29 H new ATOM 0 HG13 ILE A 111 -0.206 -0.083 -10.176 1.00 0.29 H new ATOM 0 HG21 ILE A 111 -0.101 3.168 -11.275 1.00 0.29 H new ATOM 0 HG22 ILE A 111 0.468 3.783 -9.705 1.00 0.29 H new ATOM 0 HG23 ILE A 111 1.280 2.392 -10.463 1.00 0.29 H new ATOM 0 HD11 ILE A 111 -2.424 -0.691 -11.016 1.00 0.37 H new ATOM 0 HD12 ILE A 111 -2.532 -0.099 -9.341 1.00 0.37 H new ATOM 0 HD13 ILE A 111 -3.013 0.957 -10.691 1.00 0.37 H new ATOM 1713 N SER A 112 1.489 3.119 -7.245 1.00 0.23 N ATOM 1714 CA SER A 112 1.888 4.283 -6.476 1.00 0.24 C ATOM 1715 C SER A 112 2.825 5.154 -7.294 1.00 0.22 C ATOM 1716 O SER A 112 3.945 4.755 -7.602 1.00 0.25 O ATOM 1717 CB SER A 112 2.569 3.851 -5.179 1.00 0.28 C ATOM 1718 OG SER A 112 1.654 3.193 -4.319 1.00 0.37 O ATOM 0 H SER A 112 2.266 2.600 -7.653 1.00 0.23 H new ATOM 0 HA SER A 112 0.998 4.861 -6.228 1.00 0.24 H new ATOM 0 HB2 SER A 112 3.403 3.186 -5.406 1.00 0.28 H new ATOM 0 HB3 SER A 112 2.985 4.723 -4.674 1.00 0.28 H new ATOM 0 HG SER A 112 1.824 3.463 -3.392 1.00 0.37 H new ATOM 1724 N THR A 113 2.347 6.321 -7.677 1.00 0.22 N ATOM 1725 CA THR A 113 3.151 7.247 -8.443 1.00 0.22 C ATOM 1726 C THR A 113 3.790 8.278 -7.529 1.00 0.23 C ATOM 1727 O THR A 113 3.118 8.860 -6.679 1.00 0.26 O ATOM 1728 CB THR A 113 2.305 7.972 -9.499 1.00 0.25 C ATOM 1729 OG1 THR A 113 1.139 7.192 -9.812 1.00 0.27 O ATOM 1730 CG2 THR A 113 3.118 8.206 -10.758 1.00 0.27 C ATOM 0 H THR A 113 1.404 6.649 -7.469 1.00 0.22 H new ATOM 0 HA THR A 113 3.927 6.669 -8.945 1.00 0.22 H new ATOM 0 HB THR A 113 1.996 8.936 -9.096 1.00 0.25 H new ATOM 0 HG1 THR A 113 0.603 7.661 -10.485 1.00 0.27 H new ATOM 0 HG21 THR A 113 2.504 8.721 -11.497 1.00 0.27 H new ATOM 0 HG22 THR A 113 3.989 8.817 -10.520 1.00 0.27 H new ATOM 0 HG23 THR A 113 3.446 7.248 -11.162 1.00 0.27 H new ATOM 1738 N SER A 114 5.086 8.486 -7.693 1.00 0.25 N ATOM 1739 CA SER A 114 5.809 9.450 -6.890 1.00 0.30 C ATOM 1740 C SER A 114 6.816 10.186 -7.758 1.00 0.29 C ATOM 1741 O SER A 114 7.779 9.585 -8.252 1.00 0.30 O ATOM 1742 CB SER A 114 6.520 8.749 -5.733 1.00 0.38 C ATOM 1743 OG SER A 114 7.338 7.698 -6.211 1.00 1.43 O ATOM 0 H SER A 114 5.659 7.996 -8.380 1.00 0.25 H new ATOM 0 HA SER A 114 5.103 10.169 -6.476 1.00 0.30 H new ATOM 0 HB2 SER A 114 7.128 9.468 -5.184 1.00 0.38 H new ATOM 0 HB3 SER A 114 5.784 8.354 -5.033 1.00 0.38 H new ATOM 0 HG SER A 114 7.125 6.872 -5.728 1.00 1.43 H new ATOM 1749 N SER A 115 6.565 11.471 -7.974 1.00 0.37 N ATOM 1750 CA SER A 115 7.441 12.308 -8.784 1.00 0.47 C ATOM 1751 C SER A 115 7.574 11.764 -10.210 1.00 0.47 C ATOM 1752 O SER A 115 8.580 11.988 -10.879 1.00 0.57 O ATOM 1753 CB SER A 115 8.822 12.424 -8.130 1.00 0.54 C ATOM 1754 OG SER A 115 8.733 12.961 -6.819 1.00 0.63 O ATOM 0 H SER A 115 5.754 11.960 -7.595 1.00 0.37 H new ATOM 0 HA SER A 115 6.992 13.299 -8.844 1.00 0.47 H new ATOM 0 HB2 SER A 115 9.291 11.441 -8.091 1.00 0.54 H new ATOM 0 HB3 SER A 115 9.463 13.059 -8.742 1.00 0.54 H new ATOM 0 HG SER A 115 7.907 13.481 -6.734 1.00 0.63 H new ATOM 1760 N GLY A 116 6.555 11.042 -10.664 1.00 0.42 N ATOM 1761 CA GLY A 116 6.574 10.497 -12.004 1.00 0.46 C ATOM 1762 C GLY A 116 6.805 8.997 -12.036 1.00 0.40 C ATOM 1763 O GLY A 116 6.358 8.322 -12.962 1.00 0.46 O ATOM 0 H GLY A 116 5.716 10.826 -10.125 1.00 0.42 H new ATOM 0 HA2 GLY A 116 5.627 10.723 -12.495 1.00 0.46 H new ATOM 0 HA3 GLY A 116 7.357 10.991 -12.579 1.00 0.46 H new ATOM 1767 N VAL A 117 7.506 8.474 -11.033 1.00 0.33 N ATOM 1768 CA VAL A 117 7.792 7.045 -10.972 1.00 0.29 C ATOM 1769 C VAL A 117 6.541 6.250 -10.621 1.00 0.28 C ATOM 1770 O VAL A 117 5.865 6.541 -9.635 1.00 0.29 O ATOM 1771 CB VAL A 117 8.906 6.713 -9.953 1.00 0.30 C ATOM 1772 CG1 VAL A 117 9.047 5.207 -9.761 1.00 0.52 C ATOM 1773 CG2 VAL A 117 10.229 7.313 -10.406 1.00 0.53 C ATOM 0 H VAL A 117 7.884 9.016 -10.256 1.00 0.33 H new ATOM 0 HA VAL A 117 8.140 6.760 -11.965 1.00 0.29 H new ATOM 0 HB VAL A 117 8.628 7.150 -8.994 1.00 0.30 H new ATOM 0 HG11 VAL A 117 9.838 5.005 -9.039 1.00 0.52 H new ATOM 0 HG12 VAL A 117 8.106 4.797 -9.393 1.00 0.52 H new ATOM 0 HG13 VAL A 117 9.298 4.741 -10.714 1.00 0.52 H new ATOM 0 HG21 VAL A 117 11.005 7.072 -9.680 1.00 0.53 H new ATOM 0 HG22 VAL A 117 10.501 6.902 -11.378 1.00 0.53 H new ATOM 0 HG23 VAL A 117 10.129 8.396 -10.485 1.00 0.53 H new ATOM 1783 N VAL A 118 6.232 5.266 -11.448 1.00 0.27 N ATOM 1784 CA VAL A 118 5.075 4.418 -11.233 1.00 0.27 C ATOM 1785 C VAL A 118 5.485 3.097 -10.607 1.00 0.25 C ATOM 1786 O VAL A 118 6.064 2.234 -11.271 1.00 0.29 O ATOM 1787 CB VAL A 118 4.324 4.134 -12.546 1.00 0.29 C ATOM 1788 CG1 VAL A 118 3.114 3.245 -12.289 1.00 0.97 C ATOM 1789 CG2 VAL A 118 3.904 5.434 -13.206 1.00 0.86 C ATOM 0 H VAL A 118 6.773 5.034 -12.281 1.00 0.27 H new ATOM 0 HA VAL A 118 4.410 4.957 -10.558 1.00 0.27 H new ATOM 0 HB VAL A 118 4.996 3.606 -13.223 1.00 0.29 H new ATOM 0 HG11 VAL A 118 2.596 3.055 -13.229 1.00 0.97 H new ATOM 0 HG12 VAL A 118 3.442 2.299 -11.858 1.00 0.97 H new ATOM 0 HG13 VAL A 118 2.437 3.744 -11.596 1.00 0.97 H new ATOM 0 HG21 VAL A 118 3.374 5.217 -14.133 1.00 0.86 H new ATOM 0 HG22 VAL A 118 3.248 5.988 -12.534 1.00 0.86 H new ATOM 0 HG23 VAL A 118 4.788 6.033 -13.425 1.00 0.86 H new ATOM 1799 N TYR A 119 5.202 2.956 -9.328 1.00 0.22 N ATOM 1800 CA TYR A 119 5.512 1.731 -8.606 1.00 0.21 C ATOM 1801 C TYR A 119 4.316 0.797 -8.660 1.00 0.22 C ATOM 1802 O TYR A 119 3.196 1.192 -8.335 1.00 0.29 O ATOM 1803 CB TYR A 119 5.878 2.036 -7.148 1.00 0.22 C ATOM 1804 CG TYR A 119 5.969 0.808 -6.263 1.00 0.21 C ATOM 1805 CD1 TYR A 119 6.915 -0.184 -6.506 1.00 1.21 C ATOM 1806 CD2 TYR A 119 5.103 0.636 -5.193 1.00 1.17 C ATOM 1807 CE1 TYR A 119 6.992 -1.307 -5.706 1.00 1.22 C ATOM 1808 CE2 TYR A 119 5.174 -0.486 -4.388 1.00 1.20 C ATOM 1809 CZ TYR A 119 6.121 -1.453 -4.649 1.00 0.34 C ATOM 1810 OH TYR A 119 6.192 -2.572 -3.854 1.00 0.43 O ATOM 0 H TYR A 119 4.755 3.677 -8.761 1.00 0.22 H new ATOM 0 HA TYR A 119 6.370 1.252 -9.078 1.00 0.21 H new ATOM 0 HB2 TYR A 119 6.835 2.558 -7.126 1.00 0.22 H new ATOM 0 HB3 TYR A 119 5.134 2.716 -6.732 1.00 0.22 H new ATOM 0 HD1 TYR A 119 7.600 -0.074 -7.334 1.00 1.21 H new ATOM 0 HD2 TYR A 119 4.360 1.392 -4.985 1.00 1.17 H new ATOM 0 HE1 TYR A 119 7.732 -2.067 -5.908 1.00 1.22 H new ATOM 0 HE2 TYR A 119 4.491 -0.604 -3.559 1.00 1.20 H new ATOM 0 HH TYR A 119 7.130 -2.771 -3.652 1.00 0.43 H new ATOM 1820 N LYS A 120 4.549 -0.428 -9.086 1.00 0.21 N ATOM 1821 CA LYS A 120 3.489 -1.411 -9.183 1.00 0.23 C ATOM 1822 C LYS A 120 3.797 -2.635 -8.338 1.00 0.24 C ATOM 1823 O LYS A 120 4.888 -3.195 -8.411 1.00 0.29 O ATOM 1824 CB LYS A 120 3.294 -1.836 -10.637 1.00 0.28 C ATOM 1825 CG LYS A 120 2.655 -0.767 -11.497 1.00 0.31 C ATOM 1826 CD LYS A 120 2.976 -0.980 -12.965 1.00 0.46 C ATOM 1827 CE LYS A 120 1.960 -0.302 -13.865 1.00 0.87 C ATOM 1828 NZ LYS A 120 2.357 -0.371 -15.295 1.00 1.17 N ATOM 0 H LYS A 120 5.467 -0.768 -9.372 1.00 0.21 H new ATOM 0 HA LYS A 120 2.574 -0.951 -8.810 1.00 0.23 H new ATOM 0 HB2 LYS A 120 4.261 -2.103 -11.062 1.00 0.28 H new ATOM 0 HB3 LYS A 120 2.675 -2.733 -10.665 1.00 0.28 H new ATOM 0 HG2 LYS A 120 1.575 -0.778 -11.353 1.00 0.31 H new ATOM 0 HG3 LYS A 120 3.008 0.215 -11.183 1.00 0.31 H new ATOM 0 HD2 LYS A 120 3.971 -0.590 -13.180 1.00 0.46 H new ATOM 0 HD3 LYS A 120 2.999 -2.048 -13.181 1.00 0.46 H new ATOM 0 HE2 LYS A 120 0.986 -0.775 -13.735 1.00 0.87 H new ATOM 0 HE3 LYS A 120 1.850 0.741 -13.568 1.00 0.87 H new ATOM 0 HZ1 LYS A 120 1.638 0.103 -15.878 1.00 1.17 H new ATOM 0 HZ2 LYS A 120 3.274 0.102 -15.424 1.00 1.17 H new ATOM 0 HZ3 LYS A 120 2.437 -1.366 -15.585 1.00 1.17 H new ATOM 1842 N ARG A 121 2.835 -3.037 -7.528 1.00 0.25 N ATOM 1843 CA ARG A 121 2.993 -4.216 -6.697 1.00 0.28 C ATOM 1844 C ARG A 121 1.810 -5.145 -6.908 1.00 0.28 C ATOM 1845 O ARG A 121 0.656 -4.747 -6.782 1.00 0.34 O ATOM 1846 CB ARG A 121 3.158 -3.846 -5.214 1.00 0.36 C ATOM 1847 CG ARG A 121 1.988 -3.065 -4.624 1.00 0.59 C ATOM 1848 CD ARG A 121 1.232 -3.888 -3.587 1.00 0.84 C ATOM 1849 NE ARG A 121 2.046 -4.188 -2.407 1.00 1.20 N ATOM 1850 CZ ARG A 121 1.537 -4.458 -1.200 1.00 1.59 C ATOM 1851 NH1 ARG A 121 0.223 -4.418 -0.999 1.00 1.88 N ATOM 1852 NH2 ARG A 121 2.348 -4.762 -0.189 1.00 2.48 N ATOM 0 H ARG A 121 1.936 -2.565 -7.428 1.00 0.25 H new ATOM 0 HA ARG A 121 3.906 -4.733 -6.993 1.00 0.28 H new ATOM 0 HB2 ARG A 121 3.296 -4.761 -4.637 1.00 0.36 H new ATOM 0 HB3 ARG A 121 4.067 -3.256 -5.098 1.00 0.36 H new ATOM 0 HG2 ARG A 121 2.357 -2.148 -4.164 1.00 0.59 H new ATOM 0 HG3 ARG A 121 1.307 -2.770 -5.422 1.00 0.59 H new ATOM 0 HD2 ARG A 121 0.338 -3.346 -3.279 1.00 0.84 H new ATOM 0 HD3 ARG A 121 0.899 -4.821 -4.041 1.00 0.84 H new ATOM 0 HE ARG A 121 3.061 -4.191 -2.512 1.00 1.20 H new ATOM 0 HH11 ARG A 121 -0.404 -4.180 -1.768 1.00 1.88 H new ATOM 0 HH12 ARG A 121 -0.158 -4.625 -0.076 1.00 1.88 H new ATOM 0 HH21 ARG A 121 3.357 -4.789 -0.335 1.00 2.48 H new ATOM 0 HH22 ARG A 121 1.960 -4.968 0.732 1.00 2.48 H new ATOM 1866 N THR A 122 2.109 -6.368 -7.293 1.00 0.27 N ATOM 1867 CA THR A 122 1.092 -7.365 -7.525 1.00 0.27 C ATOM 1868 C THR A 122 1.011 -8.307 -6.343 1.00 0.25 C ATOM 1869 O THR A 122 1.988 -8.985 -6.008 1.00 0.29 O ATOM 1870 CB THR A 122 1.401 -8.166 -8.794 1.00 0.31 C ATOM 1871 OG1 THR A 122 1.868 -7.274 -9.816 1.00 0.43 O ATOM 1872 CG2 THR A 122 0.172 -8.911 -9.280 1.00 0.34 C ATOM 0 H THR A 122 3.062 -6.696 -7.453 1.00 0.27 H new ATOM 0 HA THR A 122 0.136 -6.856 -7.652 1.00 0.27 H new ATOM 0 HB THR A 122 2.173 -8.901 -8.564 1.00 0.31 H new ATOM 0 HG1 THR A 122 2.068 -7.784 -10.629 1.00 0.43 H new ATOM 0 HG21 THR A 122 0.419 -9.471 -10.182 1.00 0.34 H new ATOM 0 HG22 THR A 122 -0.166 -9.600 -8.506 1.00 0.34 H new ATOM 0 HG23 THR A 122 -0.622 -8.198 -9.502 1.00 0.34 H new ATOM 1880 N SER A 123 -0.143 -8.334 -5.709 1.00 0.24 N ATOM 1881 CA SER A 123 -0.351 -9.193 -4.566 1.00 0.23 C ATOM 1882 C SER A 123 -1.435 -10.222 -4.864 1.00 0.23 C ATOM 1883 O SER A 123 -2.500 -9.886 -5.393 1.00 0.25 O ATOM 1884 CB SER A 123 -0.727 -8.355 -3.347 1.00 0.25 C ATOM 1885 OG SER A 123 -0.011 -7.130 -3.333 1.00 0.38 O ATOM 0 H SER A 123 -0.952 -7.769 -5.968 1.00 0.24 H new ATOM 0 HA SER A 123 0.575 -9.726 -4.352 1.00 0.23 H new ATOM 0 HB2 SER A 123 -1.798 -8.154 -3.355 1.00 0.25 H new ATOM 0 HB3 SER A 123 -0.515 -8.915 -2.436 1.00 0.25 H new ATOM 0 HG SER A 123 -0.269 -6.609 -2.544 1.00 0.38 H new ATOM 1891 N LYS A 124 -1.144 -11.476 -4.553 1.00 0.23 N ATOM 1892 CA LYS A 124 -2.088 -12.559 -4.783 1.00 0.25 C ATOM 1893 C LYS A 124 -3.115 -12.610 -3.660 1.00 0.22 C ATOM 1894 O LYS A 124 -2.845 -12.161 -2.544 1.00 0.21 O ATOM 1895 CB LYS A 124 -1.351 -13.894 -4.884 1.00 0.29 C ATOM 1896 CG LYS A 124 -0.503 -14.205 -3.668 1.00 0.31 C ATOM 1897 CD LYS A 124 0.152 -15.567 -3.780 1.00 0.43 C ATOM 1898 CE LYS A 124 1.432 -15.636 -2.956 1.00 0.61 C ATOM 1899 NZ LYS A 124 2.620 -15.196 -3.742 1.00 1.45 N ATOM 0 H LYS A 124 -0.259 -11.769 -4.139 1.00 0.23 H new ATOM 0 HA LYS A 124 -2.606 -12.374 -5.724 1.00 0.25 H new ATOM 0 HB2 LYS A 124 -2.079 -14.693 -5.024 1.00 0.29 H new ATOM 0 HB3 LYS A 124 -0.715 -13.884 -5.769 1.00 0.29 H new ATOM 0 HG2 LYS A 124 0.264 -13.440 -3.553 1.00 0.31 H new ATOM 0 HG3 LYS A 124 -1.123 -14.171 -2.772 1.00 0.31 H new ATOM 0 HD2 LYS A 124 -0.543 -16.336 -3.442 1.00 0.43 H new ATOM 0 HD3 LYS A 124 0.378 -15.779 -4.825 1.00 0.43 H new ATOM 0 HE2 LYS A 124 1.329 -15.008 -2.071 1.00 0.61 H new ATOM 0 HE3 LYS A 124 1.585 -16.657 -2.607 1.00 0.61 H new ATOM 0 HZ1 LYS A 124 3.433 -15.801 -3.510 1.00 1.45 H new ATOM 0 HZ2 LYS A 124 2.411 -15.271 -4.758 1.00 1.45 H new ATOM 0 HZ3 LYS A 124 2.845 -14.208 -3.507 1.00 1.45 H new ATOM 1913 N LYS A 125 -4.280 -13.167 -3.956 1.00 0.24 N ATOM 1914 CA LYS A 125 -5.348 -13.269 -2.976 1.00 0.23 C ATOM 1915 C LYS A 125 -5.374 -14.656 -2.350 1.00 0.25 C ATOM 1916 O LYS A 125 -5.474 -15.665 -3.046 1.00 0.31 O ATOM 1917 CB LYS A 125 -6.709 -12.954 -3.603 1.00 0.27 C ATOM 1918 CG LYS A 125 -7.671 -12.256 -2.647 1.00 0.29 C ATOM 1919 CD LYS A 125 -8.165 -13.188 -1.548 1.00 0.38 C ATOM 1920 CE LYS A 125 -9.556 -13.713 -1.849 1.00 0.39 C ATOM 1921 NZ LYS A 125 -10.562 -12.621 -1.883 1.00 1.45 N ATOM 0 H LYS A 125 -4.509 -13.556 -4.871 1.00 0.24 H new ATOM 0 HA LYS A 125 -5.150 -12.533 -2.197 1.00 0.23 H new ATOM 0 HB2 LYS A 125 -6.559 -12.324 -4.480 1.00 0.27 H new ATOM 0 HB3 LYS A 125 -7.164 -13.882 -3.951 1.00 0.27 H new ATOM 0 HG2 LYS A 125 -7.174 -11.397 -2.197 1.00 0.29 H new ATOM 0 HG3 LYS A 125 -8.524 -11.873 -3.207 1.00 0.29 H new ATOM 0 HD2 LYS A 125 -7.474 -14.024 -1.441 1.00 0.38 H new ATOM 0 HD3 LYS A 125 -8.173 -12.658 -0.596 1.00 0.38 H new ATOM 0 HE2 LYS A 125 -9.549 -14.231 -2.808 1.00 0.39 H new ATOM 0 HE3 LYS A 125 -9.840 -14.445 -1.093 1.00 0.39 H new ATOM 0 HZ1 LYS A 125 -11.475 -12.979 -1.537 1.00 1.45 H new ATOM 0 HZ2 LYS A 125 -10.245 -11.838 -1.277 1.00 1.45 H new ATOM 0 HZ3 LYS A 125 -10.672 -12.280 -2.860 1.00 1.45 H new ATOM 1935 N ILE A 126 -5.284 -14.686 -1.035 1.00 0.24 N ATOM 1936 CA ILE A 126 -5.298 -15.923 -0.271 1.00 0.28 C ATOM 1937 C ILE A 126 -6.130 -15.711 0.987 1.00 0.30 C ATOM 1938 O ILE A 126 -6.499 -14.577 1.290 1.00 0.28 O ATOM 1939 CB ILE A 126 -3.880 -16.389 0.129 1.00 0.29 C ATOM 1940 CG1 ILE A 126 -2.791 -15.687 -0.694 1.00 0.28 C ATOM 1941 CG2 ILE A 126 -3.767 -17.895 -0.036 1.00 0.35 C ATOM 1942 CD1 ILE A 126 -2.194 -14.476 -0.012 1.00 0.27 C ATOM 0 H ILE A 126 -5.198 -13.848 -0.460 1.00 0.24 H new ATOM 0 HA ILE A 126 -5.728 -16.700 -0.903 1.00 0.28 H new ATOM 0 HB ILE A 126 -3.725 -16.120 1.174 1.00 0.29 H new ATOM 0 HG12 ILE A 126 -1.995 -16.400 -0.909 1.00 0.28 H new ATOM 0 HG13 ILE A 126 -3.213 -15.382 -1.652 1.00 0.28 H new ATOM 0 HG21 ILE A 126 -2.765 -18.218 0.247 1.00 0.35 H new ATOM 0 HG22 ILE A 126 -4.501 -18.387 0.602 1.00 0.35 H new ATOM 0 HG23 ILE A 126 -3.954 -18.162 -1.076 1.00 0.35 H new ATOM 0 HD11 ILE A 126 -1.433 -14.035 -0.655 1.00 0.27 H new ATOM 0 HD12 ILE A 126 -2.978 -13.743 0.179 1.00 0.27 H new ATOM 0 HD13 ILE A 126 -1.741 -14.777 0.933 1.00 0.27 H new ATOM 1954 N ALA A 127 -6.480 -16.776 1.697 1.00 0.38 N ATOM 1955 CA ALA A 127 -7.274 -16.631 2.913 1.00 0.44 C ATOM 1956 C ALA A 127 -6.761 -17.555 4.016 1.00 0.67 C ATOM 1957 O ALA A 127 -7.252 -18.701 4.112 1.00 1.27 O ATOM 1958 CB ALA A 127 -8.744 -16.901 2.614 1.00 0.46 C ATOM 0 H ALA A 127 -6.232 -17.736 1.458 1.00 0.38 H new ATOM 0 HA ALA A 127 -7.176 -15.606 3.270 1.00 0.44 H new ATOM 0 HB1 ALA A 127 -9.328 -16.790 3.528 1.00 0.46 H new ATOM 0 HB2 ALA A 127 -9.100 -16.191 1.868 1.00 0.46 H new ATOM 0 HB3 ALA A 127 -8.857 -17.916 2.232 1.00 0.46 H new