USER MOD reduce.3.24.130724 H: found=0, std=0, add=707, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 701 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 26 GLN : amide:sc= 0.134 X(o=0.27,f=-0.12) USER MOD Set 1.2: A 45 LYS NZ :NH3+ -157:sc= 0.135 (180deg=-0.088) USER MOD Set 2.1: A 1 MET N :NH3+ 148:sc= 0.746 (180deg=0.204) USER MOD Set 2.2: A 3 THR OG1 : rot -160:sc= 0.038 USER MOD Set 2.3: A 84 GLN : amide:sc= -0.248 K(o=0.54,f=-2.5!) USER MOD Single : A 1 MET CE :methyl 176:sc= 0 (180deg=-0.0132) USER MOD Single : A 4 THR OG1 : rot -156:sc= -0.23 USER MOD Single : A 5 TYR OH : rot 165:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl -116:sc= -2.47 (180deg=-9.05!) USER MOD Single : A 27 ASN : amide:sc= -0.125 K(o=-0.12,f=-1.9!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00872) USER MOD Single : A 39 THR OG1 : rot -58:sc= 1.15 USER MOD Single : A 41 SER OG : rot 180:sc= 0.00851 USER MOD Single : A 44 MET CE :methyl -108:sc= -0.185 (180deg=-2.58!) USER MOD Single : A 47 HIS : no HD1:sc= -0.144 X(o=-0.14,f=-0.13) USER MOD Single : A 48 TYR OH : rot 111:sc= 1.45 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 58 HIS : no HD1:sc= -0.0425 X(o=-0.042,f=0) USER MOD Single : A 59 THR OG1 : rot -136:sc= 0.511 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -6.47! C(o=-6.5!,f=-13!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -171:sc= 0.0572 (180deg=0.0181) USER MOD Single : A 66 MET CE :methyl -145:sc= -0.248 (180deg=-3.68!) USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 SER OG : rot -64:sc= 0.586 USER MOD Single : A 72 HIS : no HD1:sc=-0.00267 X(o=-0.0027,f=-0.081) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.057 0.251 -1.031 1.00 24.03 N ATOM 2 CA MET A 1 1.214 1.051 -1.911 1.00 73.22 C ATOM 3 C MET A 1 1.905 2.358 -2.287 1.00 31.32 C ATOM 4 O MET A 1 2.237 2.583 -3.450 1.00 64.40 O ATOM 5 CB MET A 1 -0.128 1.345 -1.238 1.00 12.11 C ATOM 6 CG MET A 1 -1.031 0.128 -1.124 1.00 71.43 C ATOM 7 SD MET A 1 -0.703 -0.845 0.358 1.00 45.00 S ATOM 8 CE MET A 1 -0.416 -2.463 -0.355 1.00 42.22 C ATOM 0 H1 MET A 1 1.458 -0.296 -0.380 1.00 24.03 H new ATOM 0 H2 MET A 1 2.634 -0.400 -1.601 1.00 24.03 H new ATOM 0 H3 MET A 1 2.681 0.878 -0.483 1.00 24.03 H new ATOM 0 HA MET A 1 1.038 0.479 -2.822 1.00 73.22 H new ATOM 0 HB2 MET A 1 0.055 1.746 -0.241 1.00 12.11 H new ATOM 0 HB3 MET A 1 -0.646 2.120 -1.803 1.00 12.11 H new ATOM 0 HG2 MET A 1 -2.072 0.452 -1.118 1.00 71.43 H new ATOM 0 HG3 MET A 1 -0.898 -0.502 -2.004 1.00 71.43 H new ATOM 0 HE1 MET A 1 -0.130 -3.161 0.431 1.00 42.22 H new ATOM 0 HE2 MET A 1 -1.328 -2.815 -0.838 1.00 42.22 H new ATOM 0 HE3 MET A 1 0.384 -2.399 -1.092 1.00 42.22 H new ATOM 18 N ALA A 2 2.118 3.216 -1.295 1.00 35.14 N ATOM 19 CA ALA A 2 2.771 4.499 -1.521 1.00 55.13 C ATOM 20 C ALA A 2 4.136 4.313 -2.173 1.00 63.53 C ATOM 21 O ALA A 2 4.686 5.242 -2.766 1.00 32.21 O ATOM 22 CB ALA A 2 2.909 5.260 -0.211 1.00 33.11 C ATOM 0 H ALA A 2 1.848 3.045 -0.326 1.00 35.14 H new ATOM 0 HA ALA A 2 2.149 5.080 -2.202 1.00 55.13 H new ATOM 0 HB1 ALA A 2 3.399 6.216 -0.396 1.00 33.11 H new ATOM 0 HB2 ALA A 2 1.921 5.434 0.214 1.00 33.11 H new ATOM 0 HB3 ALA A 2 3.507 4.675 0.488 1.00 33.11 H new ATOM 28 N THR A 3 4.681 3.105 -2.060 1.00 42.10 N ATOM 29 CA THR A 3 5.984 2.797 -2.637 1.00 13.23 C ATOM 30 C THR A 3 6.053 3.224 -4.098 1.00 53.25 C ATOM 31 O THR A 3 6.834 4.103 -4.464 1.00 11.33 O ATOM 32 CB THR A 3 6.301 1.293 -2.538 1.00 14.04 C ATOM 33 OG1 THR A 3 5.086 0.534 -2.554 1.00 43.44 O ATOM 34 CG2 THR A 3 7.078 0.987 -1.267 1.00 24.53 C ATOM 0 H THR A 3 4.240 2.324 -1.574 1.00 42.10 H new ATOM 0 HA THR A 3 6.724 3.355 -2.063 1.00 13.23 H new ATOM 0 HB THR A 3 6.914 1.016 -3.396 1.00 14.04 H new ATOM 0 HG1 THR A 3 5.252 -0.357 -2.181 1.00 43.44 H new ATOM 0 HG21 THR A 3 7.291 -0.081 -1.219 1.00 24.53 H new ATOM 0 HG22 THR A 3 8.015 1.544 -1.271 1.00 24.53 H new ATOM 0 HG23 THR A 3 6.486 1.279 -0.400 1.00 24.53 H new ATOM 42 N THR A 4 5.230 2.597 -4.933 1.00 75.20 N ATOM 43 CA THR A 4 5.197 2.912 -6.356 1.00 25.34 C ATOM 44 C THR A 4 4.179 4.006 -6.654 1.00 4.33 C ATOM 45 O THR A 4 4.253 4.671 -7.688 1.00 33.04 O ATOM 46 CB THR A 4 4.859 1.668 -7.199 1.00 34.13 C ATOM 47 OG1 THR A 4 4.657 2.043 -8.566 1.00 32.11 O ATOM 48 CG2 THR A 4 3.612 0.977 -6.668 1.00 14.34 C ATOM 0 H THR A 4 4.577 1.867 -4.648 1.00 75.20 H new ATOM 0 HA THR A 4 6.193 3.264 -6.625 1.00 25.34 H new ATOM 0 HB THR A 4 5.696 0.973 -7.133 1.00 34.13 H new ATOM 0 HG1 THR A 4 4.088 1.378 -9.007 1.00 32.11 H new ATOM 0 HG21 THR A 4 3.393 0.101 -7.279 1.00 14.34 H new ATOM 0 HG22 THR A 4 3.779 0.667 -5.637 1.00 14.34 H new ATOM 0 HG23 THR A 4 2.769 1.667 -6.707 1.00 14.34 H new ATOM 56 N TYR A 5 3.231 4.189 -5.742 1.00 52.51 N ATOM 57 CA TYR A 5 2.196 5.203 -5.909 1.00 2.33 C ATOM 58 C TYR A 5 2.746 6.596 -5.617 1.00 45.15 C ATOM 59 O TYR A 5 2.633 7.504 -6.440 1.00 15.21 O ATOM 60 CB TYR A 5 1.011 4.908 -4.988 1.00 52.41 C ATOM 61 CG TYR A 5 0.118 3.796 -5.488 1.00 73.45 C ATOM 62 CD1 TYR A 5 -0.384 2.836 -4.617 1.00 42.24 C ATOM 63 CD2 TYR A 5 -0.224 3.703 -6.832 1.00 22.10 C ATOM 64 CE1 TYR A 5 -1.200 1.817 -5.070 1.00 4.20 C ATOM 65 CE2 TYR A 5 -1.040 2.688 -7.293 1.00 40.31 C ATOM 66 CZ TYR A 5 -1.525 1.748 -6.408 1.00 72.15 C ATOM 67 OH TYR A 5 -2.337 0.735 -6.864 1.00 74.22 O ATOM 0 H TYR A 5 3.157 3.649 -4.880 1.00 52.51 H new ATOM 0 HA TYR A 5 1.859 5.175 -6.945 1.00 2.33 H new ATOM 0 HB2 TYR A 5 1.387 4.644 -3.999 1.00 52.41 H new ATOM 0 HB3 TYR A 5 0.417 5.815 -4.872 1.00 52.41 H new ATOM 0 HD1 TYR A 5 -0.132 2.887 -3.568 1.00 42.24 H new ATOM 0 HD2 TYR A 5 0.155 4.437 -7.528 1.00 22.10 H new ATOM 0 HE1 TYR A 5 -1.581 1.079 -4.380 1.00 4.20 H new ATOM 0 HE2 TYR A 5 -1.297 2.631 -8.341 1.00 40.31 H new ATOM 0 HH TYR A 5 -2.663 0.956 -7.761 1.00 74.22 H new ATOM 77 N GLU A 6 3.344 6.755 -4.441 1.00 0.14 N ATOM 78 CA GLU A 6 3.912 8.037 -4.040 1.00 62.11 C ATOM 79 C GLU A 6 5.082 8.420 -4.943 1.00 34.42 C ATOM 80 O GLU A 6 5.461 9.587 -5.022 1.00 2.34 O ATOM 81 CB GLU A 6 4.375 7.982 -2.583 1.00 24.41 C ATOM 82 CG GLU A 6 4.266 9.313 -1.859 1.00 23.14 C ATOM 83 CD GLU A 6 4.599 9.203 -0.383 1.00 41.43 C ATOM 84 OE1 GLU A 6 4.177 8.212 0.247 1.00 33.45 O ATOM 85 OE2 GLU A 6 5.281 10.109 0.141 1.00 62.45 O ATOM 0 H GLU A 6 3.448 6.013 -3.749 1.00 0.14 H new ATOM 0 HA GLU A 6 3.136 8.796 -4.138 1.00 62.11 H new ATOM 0 HB2 GLU A 6 3.782 7.239 -2.050 1.00 24.41 H new ATOM 0 HB3 GLU A 6 5.411 7.645 -2.552 1.00 24.41 H new ATOM 0 HG2 GLU A 6 4.938 10.033 -2.327 1.00 23.14 H new ATOM 0 HG3 GLU A 6 3.254 9.702 -1.971 1.00 23.14 H new ATOM 92 N GLU A 7 5.648 7.426 -5.621 1.00 53.21 N ATOM 93 CA GLU A 7 6.775 7.659 -6.517 1.00 34.31 C ATOM 94 C GLU A 7 6.290 8.038 -7.913 1.00 42.14 C ATOM 95 O GLU A 7 6.895 8.872 -8.587 1.00 40.40 O ATOM 96 CB GLU A 7 7.660 6.413 -6.593 1.00 73.10 C ATOM 97 CG GLU A 7 9.102 6.713 -6.966 1.00 73.32 C ATOM 98 CD GLU A 7 9.982 5.479 -6.930 1.00 62.35 C ATOM 99 OE1 GLU A 7 10.917 5.394 -7.754 1.00 60.44 O ATOM 100 OE2 GLU A 7 9.737 4.598 -6.080 1.00 13.44 O ATOM 0 H GLU A 7 5.345 6.453 -5.567 1.00 53.21 H new ATOM 0 HA GLU A 7 7.360 8.487 -6.117 1.00 34.31 H new ATOM 0 HB2 GLU A 7 7.641 5.905 -5.629 1.00 73.10 H new ATOM 0 HB3 GLU A 7 7.240 5.723 -7.325 1.00 73.10 H new ATOM 0 HG2 GLU A 7 9.132 7.147 -7.965 1.00 73.32 H new ATOM 0 HG3 GLU A 7 9.503 7.461 -6.281 1.00 73.32 H new ATOM 107 N PHE A 8 5.195 7.419 -8.342 1.00 24.30 N ATOM 108 CA PHE A 8 4.630 7.689 -9.659 1.00 12.35 C ATOM 109 C PHE A 8 3.806 8.973 -9.643 1.00 12.50 C ATOM 110 O PHE A 8 3.821 9.745 -10.602 1.00 1.05 O ATOM 111 CB PHE A 8 3.759 6.517 -10.114 1.00 33.53 C ATOM 112 CG PHE A 8 4.522 5.454 -10.852 1.00 53.44 C ATOM 113 CD1 PHE A 8 5.396 5.794 -11.872 1.00 71.54 C ATOM 114 CD2 PHE A 8 4.364 4.117 -10.527 1.00 62.21 C ATOM 115 CE1 PHE A 8 6.100 4.819 -12.554 1.00 71.40 C ATOM 116 CE2 PHE A 8 5.066 3.138 -11.205 1.00 33.32 C ATOM 117 CZ PHE A 8 5.934 3.489 -12.220 1.00 74.23 C ATOM 0 H PHE A 8 4.681 6.727 -7.797 1.00 24.30 H new ATOM 0 HA PHE A 8 5.454 7.814 -10.362 1.00 12.35 H new ATOM 0 HB2 PHE A 8 3.280 6.071 -9.242 1.00 33.53 H new ATOM 0 HB3 PHE A 8 2.963 6.894 -10.756 1.00 33.53 H new ATOM 0 HD1 PHE A 8 5.529 6.832 -12.137 1.00 71.54 H new ATOM 0 HD2 PHE A 8 3.685 3.836 -9.735 1.00 62.21 H new ATOM 0 HE1 PHE A 8 6.779 5.097 -13.347 1.00 71.40 H new ATOM 0 HE2 PHE A 8 4.936 2.099 -10.941 1.00 33.32 H new ATOM 0 HZ PHE A 8 6.482 2.725 -12.752 1.00 74.23 H new ATOM 127 N ALA A 9 3.087 9.195 -8.547 1.00 73.34 N ATOM 128 CA ALA A 9 2.257 10.385 -8.405 1.00 45.05 C ATOM 129 C ALA A 9 3.107 11.651 -8.423 1.00 40.31 C ATOM 130 O ALA A 9 2.592 12.753 -8.612 1.00 61.10 O ATOM 131 CB ALA A 9 1.443 10.311 -7.122 1.00 44.21 C ATOM 0 H ALA A 9 3.063 8.566 -7.744 1.00 73.34 H new ATOM 0 HA ALA A 9 1.574 10.425 -9.253 1.00 45.05 H new ATOM 0 HB1 ALA A 9 0.828 11.206 -7.029 1.00 44.21 H new ATOM 0 HB2 ALA A 9 0.801 9.431 -7.149 1.00 44.21 H new ATOM 0 HB3 ALA A 9 2.116 10.243 -6.267 1.00 44.21 H new ATOM 137 N ALA A 10 4.411 11.486 -8.224 1.00 53.43 N ATOM 138 CA ALA A 10 5.331 12.616 -8.219 1.00 5.31 C ATOM 139 C ALA A 10 5.817 12.936 -9.629 1.00 33.13 C ATOM 140 O ALA A 10 6.060 14.095 -9.965 1.00 40.02 O ATOM 141 CB ALA A 10 6.513 12.330 -7.304 1.00 61.22 C ATOM 0 H ALA A 10 4.853 10.581 -8.064 1.00 53.43 H new ATOM 0 HA ALA A 10 4.795 13.487 -7.842 1.00 5.31 H new ATOM 0 HB1 ALA A 10 7.192 13.182 -7.310 1.00 61.22 H new ATOM 0 HB2 ALA A 10 6.154 12.159 -6.289 1.00 61.22 H new ATOM 0 HB3 ALA A 10 7.040 11.444 -7.657 1.00 61.22 H new ATOM 147 N LYS A 11 5.956 11.901 -10.450 1.00 64.12 N ATOM 148 CA LYS A 11 6.412 12.071 -11.825 1.00 22.53 C ATOM 149 C LYS A 11 5.234 12.307 -12.764 1.00 15.14 C ATOM 150 O LYS A 11 5.368 12.977 -13.789 1.00 31.43 O ATOM 151 CB LYS A 11 7.200 10.839 -12.278 1.00 52.32 C ATOM 152 CG LYS A 11 8.496 11.176 -12.995 1.00 10.33 C ATOM 153 CD LYS A 11 8.998 10.003 -13.820 1.00 41.51 C ATOM 154 CE LYS A 11 10.293 10.344 -14.541 1.00 63.54 C ATOM 155 NZ LYS A 11 10.998 9.123 -15.021 1.00 60.51 N ATOM 0 H LYS A 11 5.759 10.935 -10.187 1.00 64.12 H new ATOM 0 HA LYS A 11 7.062 12.945 -11.860 1.00 22.53 H new ATOM 0 HB2 LYS A 11 7.426 10.222 -11.408 1.00 52.32 H new ATOM 0 HB3 LYS A 11 6.574 10.240 -12.939 1.00 52.32 H new ATOM 0 HG2 LYS A 11 8.340 12.038 -13.644 1.00 10.33 H new ATOM 0 HG3 LYS A 11 9.254 11.459 -12.265 1.00 10.33 H new ATOM 0 HD2 LYS A 11 9.157 9.142 -13.171 1.00 41.51 H new ATOM 0 HD3 LYS A 11 8.239 9.717 -14.548 1.00 41.51 H new ATOM 0 HE2 LYS A 11 10.077 10.995 -15.388 1.00 63.54 H new ATOM 0 HE3 LYS A 11 10.947 10.901 -13.870 1.00 63.54 H new ATOM 0 HZ1 LYS A 11 11.876 9.397 -15.507 1.00 60.51 H new ATOM 0 HZ2 LYS A 11 11.227 8.513 -14.210 1.00 60.51 H new ATOM 0 HZ3 LYS A 11 10.384 8.605 -15.681 1.00 60.51 H new ATOM 169 N LEU A 12 4.079 11.755 -12.407 1.00 10.43 N ATOM 170 CA LEU A 12 2.875 11.908 -13.217 1.00 24.11 C ATOM 171 C LEU A 12 2.228 13.268 -12.979 1.00 51.44 C ATOM 172 O LEU A 12 1.517 13.788 -13.840 1.00 65.34 O ATOM 173 CB LEU A 12 1.878 10.793 -12.898 1.00 72.14 C ATOM 174 CG LEU A 12 1.927 9.568 -13.812 1.00 34.53 C ATOM 175 CD1 LEU A 12 1.760 8.291 -13.002 1.00 5.23 C ATOM 176 CD2 LEU A 12 0.855 9.662 -14.888 1.00 60.41 C ATOM 0 H LEU A 12 3.951 11.198 -11.562 1.00 10.43 H new ATOM 0 HA LEU A 12 3.162 11.842 -14.267 1.00 24.11 H new ATOM 0 HB2 LEU A 12 2.047 10.464 -11.873 1.00 72.14 H new ATOM 0 HB3 LEU A 12 0.872 11.210 -12.937 1.00 72.14 H new ATOM 0 HG LEU A 12 2.902 9.541 -14.299 1.00 34.53 H new ATOM 0 HD11 LEU A 12 1.797 7.430 -13.669 1.00 5.23 H new ATOM 0 HD12 LEU A 12 2.563 8.217 -12.269 1.00 5.23 H new ATOM 0 HD13 LEU A 12 0.799 8.310 -12.487 1.00 5.23 H new ATOM 0 HD21 LEU A 12 0.905 8.782 -15.529 1.00 60.41 H new ATOM 0 HD22 LEU A 12 -0.128 9.714 -14.419 1.00 60.41 H new ATOM 0 HD23 LEU A 12 1.019 10.557 -15.488 1.00 60.41 H new ATOM 188 N ASP A 13 2.480 13.841 -11.807 1.00 53.05 N ATOM 189 CA ASP A 13 1.924 15.143 -11.458 1.00 0.14 C ATOM 190 C ASP A 13 2.395 16.215 -12.435 1.00 50.33 C ATOM 191 O ASP A 13 1.831 17.308 -12.492 1.00 5.53 O ATOM 192 CB ASP A 13 2.323 15.525 -10.031 1.00 50.14 C ATOM 193 CG ASP A 13 1.242 15.197 -9.020 1.00 51.23 C ATOM 194 OD1 ASP A 13 1.238 15.814 -7.934 1.00 24.41 O ATOM 195 OD2 ASP A 13 0.399 14.325 -9.316 1.00 32.02 O ATOM 0 H ASP A 13 3.065 13.424 -11.083 1.00 53.05 H new ATOM 0 HA ASP A 13 0.838 15.075 -11.518 1.00 0.14 H new ATOM 0 HB2 ASP A 13 3.240 15.001 -9.761 1.00 50.14 H new ATOM 0 HB3 ASP A 13 2.542 16.592 -9.991 1.00 50.14 H new ATOM 200 N ARG A 14 3.432 15.895 -13.202 1.00 52.15 N ATOM 201 CA ARG A 14 3.980 16.832 -14.176 1.00 60.41 C ATOM 202 C ARG A 14 3.445 16.537 -15.574 1.00 51.54 C ATOM 203 O ARG A 14 3.767 17.239 -16.535 1.00 25.55 O ATOM 204 CB ARG A 14 5.508 16.762 -14.178 1.00 62.11 C ATOM 205 CG ARG A 14 6.177 18.055 -13.742 1.00 4.11 C ATOM 206 CD ARG A 14 6.428 18.979 -14.924 1.00 22.43 C ATOM 207 NE ARG A 14 7.853 19.207 -15.147 1.00 63.23 N ATOM 208 CZ ARG A 14 8.352 19.679 -16.284 1.00 65.32 C ATOM 209 NH1 ARG A 14 7.546 19.971 -17.295 1.00 42.23 N ATOM 210 NH2 ARG A 14 9.661 19.859 -16.411 1.00 51.33 N ATOM 0 H ARG A 14 3.910 14.994 -13.168 1.00 52.15 H new ATOM 0 HA ARG A 14 3.669 17.837 -13.891 1.00 60.41 H new ATOM 0 HB2 ARG A 14 5.827 15.957 -13.517 1.00 62.11 H new ATOM 0 HB3 ARG A 14 5.850 16.506 -15.181 1.00 62.11 H new ATOM 0 HG2 ARG A 14 5.549 18.562 -13.010 1.00 4.11 H new ATOM 0 HG3 ARG A 14 7.122 17.828 -13.249 1.00 4.11 H new ATOM 0 HD2 ARG A 14 5.985 18.548 -15.822 1.00 22.43 H new ATOM 0 HD3 ARG A 14 5.931 19.933 -14.750 1.00 22.43 H new ATOM 0 HE ARG A 14 8.500 18.992 -14.389 1.00 63.23 H new ATOM 0 HH11 ARG A 14 6.540 19.833 -17.201 1.00 42.23 H new ATOM 0 HH12 ARG A 14 7.932 20.333 -18.167 1.00 42.23 H new ATOM 0 HH21 ARG A 14 10.284 19.635 -15.635 1.00 51.33 H new ATOM 0 HH22 ARG A 14 10.044 20.221 -17.284 1.00 51.33 H new ATOM 224 N LEU A 15 2.626 15.497 -15.682 1.00 65.31 N ATOM 225 CA LEU A 15 2.046 15.109 -16.963 1.00 64.22 C ATOM 226 C LEU A 15 0.677 15.752 -17.158 1.00 41.00 C ATOM 227 O LEU A 15 0.401 16.345 -18.201 1.00 64.33 O ATOM 228 CB LEU A 15 1.924 13.586 -17.050 1.00 44.52 C ATOM 229 CG LEU A 15 3.211 12.795 -16.812 1.00 42.44 C ATOM 230 CD1 LEU A 15 2.954 11.303 -16.953 1.00 41.15 C ATOM 231 CD2 LEU A 15 4.299 13.245 -17.777 1.00 23.53 C ATOM 0 H LEU A 15 2.348 14.907 -14.898 1.00 65.31 H new ATOM 0 HA LEU A 15 2.708 15.460 -17.755 1.00 64.22 H new ATOM 0 HB2 LEU A 15 1.181 13.259 -16.323 1.00 44.52 H new ATOM 0 HB3 LEU A 15 1.540 13.328 -18.037 1.00 44.52 H new ATOM 0 HG LEU A 15 3.552 12.989 -15.795 1.00 42.44 H new ATOM 0 HD11 LEU A 15 3.881 10.756 -16.780 1.00 41.15 H new ATOM 0 HD12 LEU A 15 2.208 10.992 -16.222 1.00 41.15 H new ATOM 0 HD13 LEU A 15 2.589 11.090 -17.958 1.00 41.15 H new ATOM 0 HD21 LEU A 15 5.208 12.672 -17.594 1.00 23.53 H new ATOM 0 HD22 LEU A 15 3.967 13.081 -18.802 1.00 23.53 H new ATOM 0 HD23 LEU A 15 4.502 14.305 -17.627 1.00 23.53 H new ATOM 243 N ASP A 16 -0.176 15.633 -16.147 1.00 20.32 N ATOM 244 CA ASP A 16 -1.516 16.205 -16.205 1.00 41.31 C ATOM 245 C ASP A 16 -2.324 15.583 -17.339 1.00 61.15 C ATOM 246 O ASP A 16 -3.353 16.120 -17.749 1.00 64.22 O ATOM 247 CB ASP A 16 -1.438 17.722 -16.390 1.00 70.41 C ATOM 248 CG ASP A 16 -1.443 18.467 -15.070 1.00 23.10 C ATOM 249 OD1 ASP A 16 -2.133 18.012 -14.134 1.00 24.44 O ATOM 250 OD2 ASP A 16 -0.756 19.505 -14.973 1.00 23.12 O ATOM 0 H ASP A 16 0.037 15.145 -15.277 1.00 20.32 H new ATOM 0 HA ASP A 16 -2.019 15.987 -15.263 1.00 41.31 H new ATOM 0 HB2 ASP A 16 -0.532 17.972 -16.941 1.00 70.41 H new ATOM 0 HB3 ASP A 16 -2.281 18.055 -16.995 1.00 70.41 H new ATOM 255 N ALA A 17 -1.850 14.448 -17.843 1.00 72.11 N ATOM 256 CA ALA A 17 -2.529 13.752 -18.929 1.00 61.02 C ATOM 257 C ALA A 17 -3.390 12.612 -18.397 1.00 72.42 C ATOM 258 O ALA A 17 -4.612 12.627 -18.540 1.00 33.31 O ATOM 259 CB ALA A 17 -1.515 13.226 -19.934 1.00 22.40 C ATOM 0 H ALA A 17 -0.998 13.991 -17.516 1.00 72.11 H new ATOM 0 HA ALA A 17 -3.185 14.464 -19.430 1.00 61.02 H new ATOM 0 HB1 ALA A 17 -2.036 12.708 -20.740 1.00 22.40 H new ATOM 0 HB2 ALA A 17 -0.946 14.059 -20.346 1.00 22.40 H new ATOM 0 HB3 ALA A 17 -0.836 12.533 -19.437 1.00 22.40 H new ATOM 265 N GLU A 18 -2.744 11.624 -17.784 1.00 53.43 N ATOM 266 CA GLU A 18 -3.453 10.476 -17.233 1.00 22.53 C ATOM 267 C GLU A 18 -3.928 10.761 -15.811 1.00 23.52 C ATOM 268 O GLU A 18 -5.122 10.701 -15.520 1.00 35.04 O ATOM 269 CB GLU A 18 -2.551 9.239 -17.243 1.00 13.21 C ATOM 270 CG GLU A 18 -2.938 8.195 -16.209 1.00 54.13 C ATOM 271 CD GLU A 18 -2.023 6.986 -16.230 1.00 54.12 C ATOM 272 OE1 GLU A 18 -2.535 5.859 -16.394 1.00 21.51 O ATOM 273 OE2 GLU A 18 -0.797 7.167 -16.083 1.00 3.11 O ATOM 0 H GLU A 18 -1.732 11.596 -17.657 1.00 53.43 H new ATOM 0 HA GLU A 18 -4.326 10.286 -17.858 1.00 22.53 H new ATOM 0 HB2 GLU A 18 -2.581 8.786 -18.234 1.00 13.21 H new ATOM 0 HB3 GLU A 18 -1.521 9.549 -17.066 1.00 13.21 H new ATOM 0 HG2 GLU A 18 -2.915 8.646 -15.217 1.00 54.13 H new ATOM 0 HG3 GLU A 18 -3.964 7.873 -16.390 1.00 54.13 H new ATOM 280 N PHE A 19 -2.983 11.070 -14.929 1.00 31.33 N ATOM 281 CA PHE A 19 -3.303 11.363 -13.537 1.00 34.55 C ATOM 282 C PHE A 19 -4.428 12.390 -13.442 1.00 22.34 C ATOM 283 O PHE A 19 -5.460 12.140 -12.820 1.00 11.01 O ATOM 284 CB PHE A 19 -2.063 11.878 -12.803 1.00 73.02 C ATOM 285 CG PHE A 19 -1.563 10.942 -11.741 1.00 22.23 C ATOM 286 CD1 PHE A 19 -1.209 9.640 -12.057 1.00 4.14 C ATOM 287 CD2 PHE A 19 -1.447 11.363 -10.426 1.00 12.31 C ATOM 288 CE1 PHE A 19 -0.747 8.776 -11.081 1.00 53.03 C ATOM 289 CE2 PHE A 19 -0.986 10.504 -9.447 1.00 12.05 C ATOM 290 CZ PHE A 19 -0.637 9.208 -9.774 1.00 40.53 C ATOM 0 H PHE A 19 -1.990 11.124 -15.154 1.00 31.33 H new ATOM 0 HA PHE A 19 -3.637 10.439 -13.065 1.00 34.55 H new ATOM 0 HB2 PHE A 19 -1.267 12.051 -13.528 1.00 73.02 H new ATOM 0 HB3 PHE A 19 -2.294 12.841 -12.348 1.00 73.02 H new ATOM 0 HD1 PHE A 19 -1.295 9.296 -13.077 1.00 4.14 H new ATOM 0 HD2 PHE A 19 -1.720 12.374 -10.163 1.00 12.31 H new ATOM 0 HE1 PHE A 19 -0.472 7.764 -11.341 1.00 53.03 H new ATOM 0 HE2 PHE A 19 -0.898 10.846 -8.426 1.00 12.05 H new ATOM 0 HZ PHE A 19 -0.279 8.534 -9.009 1.00 40.53 H new ATOM 300 N ALA A 20 -4.219 13.546 -14.062 1.00 42.04 N ATOM 301 CA ALA A 20 -5.214 14.611 -14.050 1.00 32.23 C ATOM 302 C ALA A 20 -6.558 14.112 -14.570 1.00 50.22 C ATOM 303 O ALA A 20 -7.608 14.662 -14.237 1.00 2.24 O ATOM 304 CB ALA A 20 -4.732 15.794 -14.876 1.00 20.10 C ATOM 0 H ALA A 20 -3.369 13.769 -14.579 1.00 42.04 H new ATOM 0 HA ALA A 20 -5.351 14.935 -13.018 1.00 32.23 H new ATOM 0 HB1 ALA A 20 -5.485 16.582 -14.858 1.00 20.10 H new ATOM 0 HB2 ALA A 20 -3.800 16.174 -14.458 1.00 20.10 H new ATOM 0 HB3 ALA A 20 -4.565 15.475 -15.905 1.00 20.10 H new ATOM 310 N LYS A 21 -6.519 13.068 -15.390 1.00 62.35 N ATOM 311 CA LYS A 21 -7.733 12.494 -15.958 1.00 32.44 C ATOM 312 C LYS A 21 -8.347 11.471 -15.007 1.00 30.22 C ATOM 313 O LYS A 21 -9.540 11.177 -15.081 1.00 33.33 O ATOM 314 CB LYS A 21 -7.430 11.835 -17.305 1.00 65.12 C ATOM 315 CG LYS A 21 -7.916 12.639 -18.498 1.00 74.35 C ATOM 316 CD LYS A 21 -8.346 11.735 -19.642 1.00 31.22 C ATOM 317 CE LYS A 21 -9.767 11.229 -19.448 1.00 73.24 C ATOM 318 NZ LYS A 21 -10.161 10.262 -20.510 1.00 72.23 N ATOM 0 H LYS A 21 -5.659 12.601 -15.677 1.00 62.35 H new ATOM 0 HA LYS A 21 -8.450 13.301 -16.109 1.00 32.44 H new ATOM 0 HB2 LYS A 21 -6.354 11.685 -17.393 1.00 65.12 H new ATOM 0 HB3 LYS A 21 -7.893 10.848 -17.330 1.00 65.12 H new ATOM 0 HG2 LYS A 21 -8.753 13.269 -18.197 1.00 74.35 H new ATOM 0 HG3 LYS A 21 -7.122 13.304 -18.837 1.00 74.35 H new ATOM 0 HD2 LYS A 21 -8.278 12.280 -20.583 1.00 31.22 H new ATOM 0 HD3 LYS A 21 -7.664 10.888 -19.714 1.00 31.22 H new ATOM 0 HE2 LYS A 21 -9.852 10.751 -18.472 1.00 73.24 H new ATOM 0 HE3 LYS A 21 -10.457 12.073 -19.451 1.00 73.24 H new ATOM 0 HZ1 LYS A 21 -11.136 9.940 -20.342 1.00 72.23 H new ATOM 0 HZ2 LYS A 21 -10.104 10.725 -21.440 1.00 72.23 H new ATOM 0 HZ3 LYS A 21 -9.519 9.444 -20.491 1.00 72.23 H new ATOM 332 N LYS A 22 -7.524 10.933 -14.113 1.00 34.50 N ATOM 333 CA LYS A 22 -7.986 9.945 -13.145 1.00 70.40 C ATOM 334 C LYS A 22 -8.671 10.621 -11.962 1.00 23.04 C ATOM 335 O LYS A 22 -9.684 10.137 -11.459 1.00 73.54 O ATOM 336 CB LYS A 22 -6.812 9.096 -12.652 1.00 3.22 C ATOM 337 CG LYS A 22 -7.195 7.666 -12.312 1.00 1.31 C ATOM 338 CD LYS A 22 -7.449 6.844 -13.564 1.00 41.44 C ATOM 339 CE LYS A 22 -8.014 5.473 -13.226 1.00 41.33 C ATOM 340 NZ LYS A 22 -8.374 4.704 -14.450 1.00 3.42 N ATOM 0 H LYS A 22 -6.533 11.165 -14.039 1.00 34.50 H new ATOM 0 HA LYS A 22 -8.711 9.299 -13.641 1.00 70.40 H new ATOM 0 HB2 LYS A 22 -6.037 9.083 -13.418 1.00 3.22 H new ATOM 0 HB3 LYS A 22 -6.380 9.567 -11.769 1.00 3.22 H new ATOM 0 HG2 LYS A 22 -6.399 7.204 -11.728 1.00 1.31 H new ATOM 0 HG3 LYS A 22 -8.089 7.666 -11.688 1.00 1.31 H new ATOM 0 HD2 LYS A 22 -8.144 7.375 -14.214 1.00 41.44 H new ATOM 0 HD3 LYS A 22 -6.518 6.728 -14.119 1.00 41.44 H new ATOM 0 HE2 LYS A 22 -7.281 4.911 -12.647 1.00 41.33 H new ATOM 0 HE3 LYS A 22 -8.897 5.589 -12.597 1.00 41.33 H new ATOM 0 HZ1 LYS A 22 -8.755 3.776 -14.177 1.00 3.42 H new ATOM 0 HZ2 LYS A 22 -9.092 5.228 -14.990 1.00 3.42 H new ATOM 0 HZ3 LYS A 22 -7.527 4.571 -15.038 1.00 3.42 H new ATOM 354 N MET A 23 -8.111 11.743 -11.522 1.00 43.32 N ATOM 355 CA MET A 23 -8.670 12.487 -10.399 1.00 42.14 C ATOM 356 C MET A 23 -10.130 12.845 -10.657 1.00 71.23 C ATOM 357 O MET A 23 -10.947 12.856 -9.737 1.00 41.41 O ATOM 358 CB MET A 23 -7.858 13.759 -10.148 1.00 1.14 C ATOM 359 CG MET A 23 -6.369 13.506 -9.976 1.00 60.31 C ATOM 360 SD MET A 23 -6.019 12.213 -8.768 1.00 40.43 S ATOM 361 CE MET A 23 -5.041 11.083 -9.755 1.00 44.53 C ATOM 0 H MET A 23 -7.271 12.157 -11.926 1.00 43.32 H new ATOM 0 HA MET A 23 -8.621 11.852 -9.514 1.00 42.14 H new ATOM 0 HB2 MET A 23 -8.008 14.446 -10.981 1.00 1.14 H new ATOM 0 HB3 MET A 23 -8.240 14.253 -9.255 1.00 1.14 H new ATOM 0 HG2 MET A 23 -5.939 13.226 -10.937 1.00 60.31 H new ATOM 0 HG3 MET A 23 -5.881 14.430 -9.665 1.00 60.31 H new ATOM 0 HE1 MET A 23 -5.570 10.135 -9.854 1.00 44.53 H new ATOM 0 HE2 MET A 23 -4.877 11.512 -10.744 1.00 44.53 H new ATOM 0 HE3 MET A 23 -4.080 10.914 -9.269 1.00 44.53 H new ATOM 371 N GLU A 24 -10.450 13.136 -11.914 1.00 74.03 N ATOM 372 CA GLU A 24 -11.813 13.495 -12.291 1.00 65.12 C ATOM 373 C GLU A 24 -12.754 12.305 -12.128 1.00 63.25 C ATOM 374 O GLU A 24 -13.960 12.474 -11.954 1.00 41.23 O ATOM 375 CB GLU A 24 -11.850 13.995 -13.737 1.00 14.23 C ATOM 376 CG GLU A 24 -13.049 14.877 -14.045 1.00 20.34 C ATOM 377 CD GLU A 24 -13.799 14.430 -15.284 1.00 71.42 C ATOM 378 OE1 GLU A 24 -13.881 15.223 -16.246 1.00 30.44 O ATOM 379 OE2 GLU A 24 -14.304 13.288 -15.293 1.00 70.42 O ATOM 0 H GLU A 24 -9.785 13.130 -12.688 1.00 74.03 H new ATOM 0 HA GLU A 24 -12.148 14.294 -11.629 1.00 65.12 H new ATOM 0 HB2 GLU A 24 -10.937 14.553 -13.943 1.00 14.23 H new ATOM 0 HB3 GLU A 24 -11.858 13.137 -14.409 1.00 14.23 H new ATOM 0 HG2 GLU A 24 -13.728 14.872 -13.192 1.00 20.34 H new ATOM 0 HG3 GLU A 24 -12.714 15.905 -14.179 1.00 20.34 H new ATOM 386 N GLU A 25 -12.192 11.101 -12.187 1.00 50.34 N ATOM 387 CA GLU A 25 -12.981 9.883 -12.048 1.00 53.11 C ATOM 388 C GLU A 25 -13.244 9.570 -10.578 1.00 2.12 C ATOM 389 O GLU A 25 -13.893 8.577 -10.251 1.00 55.31 O ATOM 390 CB GLU A 25 -12.264 8.706 -12.711 1.00 70.54 C ATOM 391 CG GLU A 25 -13.116 7.451 -12.810 1.00 50.32 C ATOM 392 CD GLU A 25 -12.704 6.556 -13.962 1.00 72.43 C ATOM 393 OE1 GLU A 25 -12.985 6.918 -15.124 1.00 71.32 O ATOM 394 OE2 GLU A 25 -12.102 5.493 -13.703 1.00 2.23 O ATOM 0 H GLU A 25 -11.194 10.944 -12.330 1.00 50.34 H new ATOM 0 HA GLU A 25 -13.938 10.042 -12.545 1.00 53.11 H new ATOM 0 HB2 GLU A 25 -11.949 9.001 -13.712 1.00 70.54 H new ATOM 0 HB3 GLU A 25 -11.360 8.478 -12.146 1.00 70.54 H new ATOM 0 HG2 GLU A 25 -13.043 6.892 -11.877 1.00 50.32 H new ATOM 0 HG3 GLU A 25 -14.161 7.735 -12.931 1.00 50.32 H new ATOM 401 N GLN A 26 -12.733 10.424 -9.697 1.00 11.12 N ATOM 402 CA GLN A 26 -12.911 10.238 -8.262 1.00 10.04 C ATOM 403 C GLN A 26 -14.376 9.983 -7.923 1.00 71.33 C ATOM 404 O GLN A 26 -14.693 9.122 -7.104 1.00 22.14 O ATOM 405 CB GLN A 26 -12.406 11.465 -7.500 1.00 61.13 C ATOM 406 CG GLN A 26 -12.539 11.342 -5.991 1.00 24.40 C ATOM 407 CD GLN A 26 -11.233 11.604 -5.267 1.00 1.31 C ATOM 408 OE1 GLN A 26 -10.489 10.676 -4.947 1.00 55.30 O ATOM 409 NE2 GLN A 26 -10.946 12.874 -5.004 1.00 54.13 N ATOM 0 H GLN A 26 -12.193 11.251 -9.952 1.00 11.12 H new ATOM 0 HA GLN A 26 -12.330 9.367 -7.960 1.00 10.04 H new ATOM 0 HB2 GLN A 26 -11.359 11.633 -7.751 1.00 61.13 H new ATOM 0 HB3 GLN A 26 -12.959 12.343 -7.835 1.00 61.13 H new ATOM 0 HG2 GLN A 26 -13.293 12.045 -5.638 1.00 24.40 H new ATOM 0 HG3 GLN A 26 -12.894 10.342 -5.742 1.00 24.40 H new ATOM 0 HE21 GLN A 26 -11.591 13.612 -5.287 1.00 54.13 H new ATOM 0 HE22 GLN A 26 -10.081 13.111 -4.519 1.00 54.13 H new ATOM 418 N ASN A 27 -15.266 10.737 -8.560 1.00 44.34 N ATOM 419 CA ASN A 27 -16.698 10.593 -8.326 1.00 2.10 C ATOM 420 C ASN A 27 -17.140 9.147 -8.530 1.00 44.12 C ATOM 421 O ASN A 27 -18.022 8.651 -7.830 1.00 30.33 O ATOM 422 CB ASN A 27 -17.484 11.515 -9.260 1.00 40.21 C ATOM 423 CG ASN A 27 -18.783 11.995 -8.641 1.00 23.40 C ATOM 424 OD1 ASN A 27 -18.907 12.079 -7.419 1.00 62.20 O ATOM 425 ND2 ASN A 27 -19.758 12.311 -9.484 1.00 54.32 N ATOM 0 H ASN A 27 -15.020 11.454 -9.242 1.00 44.34 H new ATOM 0 HA ASN A 27 -16.902 10.874 -7.293 1.00 2.10 H new ATOM 0 HB2 ASN A 27 -16.868 12.376 -9.519 1.00 40.21 H new ATOM 0 HB3 ASN A 27 -17.701 10.988 -10.189 1.00 40.21 H new ATOM 0 HD21 ASN A 27 -20.655 12.639 -9.126 1.00 54.32 H new ATOM 0 HD22 ASN A 27 -19.610 12.226 -10.490 1.00 54.32 H new ATOM 432 N LYS A 28 -16.520 8.476 -9.495 1.00 24.54 N ATOM 433 CA LYS A 28 -16.846 7.086 -9.791 1.00 61.24 C ATOM 434 C LYS A 28 -16.090 6.139 -8.865 1.00 4.44 C ATOM 435 O LYS A 28 -16.455 4.972 -8.721 1.00 43.45 O ATOM 436 CB LYS A 28 -16.513 6.763 -11.250 1.00 32.52 C ATOM 437 CG LYS A 28 -16.909 7.861 -12.222 1.00 20.43 C ATOM 438 CD LYS A 28 -16.902 7.363 -13.658 1.00 14.55 C ATOM 439 CE LYS A 28 -18.310 7.063 -14.150 1.00 22.33 C ATOM 440 NZ LYS A 28 -18.305 6.111 -15.295 1.00 53.11 N ATOM 0 H LYS A 28 -15.789 8.873 -10.085 1.00 24.54 H new ATOM 0 HA LYS A 28 -17.915 6.948 -9.628 1.00 61.24 H new ATOM 0 HB2 LYS A 28 -15.442 6.581 -11.338 1.00 32.52 H new ATOM 0 HB3 LYS A 28 -17.018 5.839 -11.533 1.00 32.52 H new ATOM 0 HG2 LYS A 28 -17.902 8.231 -11.969 1.00 20.43 H new ATOM 0 HG3 LYS A 28 -16.221 8.701 -12.124 1.00 20.43 H new ATOM 0 HD2 LYS A 28 -16.442 8.113 -14.302 1.00 14.55 H new ATOM 0 HD3 LYS A 28 -16.291 6.463 -13.729 1.00 14.55 H new ATOM 0 HE2 LYS A 28 -18.899 6.646 -13.333 1.00 22.33 H new ATOM 0 HE3 LYS A 28 -18.795 7.991 -14.451 1.00 22.33 H new ATOM 0 HZ1 LYS A 28 -19.282 5.932 -15.602 1.00 53.11 H new ATOM 0 HZ2 LYS A 28 -17.764 6.519 -16.084 1.00 53.11 H new ATOM 0 HZ3 LYS A 28 -17.865 5.216 -15.000 1.00 53.11 H new ATOM 454 N ARG A 29 -15.036 6.650 -8.237 1.00 4.24 N ATOM 455 CA ARG A 29 -14.229 5.850 -7.323 1.00 45.14 C ATOM 456 C ARG A 29 -15.099 5.214 -6.244 1.00 30.32 C ATOM 457 O ARG A 29 -14.718 4.215 -5.632 1.00 45.54 O ATOM 458 CB ARG A 29 -13.145 6.714 -6.676 1.00 43.21 C ATOM 459 CG ARG A 29 -12.096 5.913 -5.922 1.00 73.42 C ATOM 460 CD ARG A 29 -12.033 6.317 -4.458 1.00 21.45 C ATOM 461 NE ARG A 29 -13.165 5.796 -3.697 1.00 35.24 N ATOM 462 CZ ARG A 29 -13.418 6.127 -2.435 1.00 51.13 C ATOM 463 NH1 ARG A 29 -12.623 6.974 -1.797 1.00 3.31 N ATOM 464 NH2 ARG A 29 -14.469 5.611 -1.810 1.00 44.01 N ATOM 0 H ARG A 29 -14.721 7.614 -8.344 1.00 4.24 H new ATOM 0 HA ARG A 29 -13.755 5.055 -7.898 1.00 45.14 H new ATOM 0 HB2 ARG A 29 -12.653 7.304 -7.449 1.00 43.21 H new ATOM 0 HB3 ARG A 29 -13.615 7.418 -5.989 1.00 43.21 H new ATOM 0 HG2 ARG A 29 -12.325 4.850 -5.998 1.00 73.42 H new ATOM 0 HG3 ARG A 29 -11.120 6.063 -6.384 1.00 73.42 H new ATOM 0 HD2 ARG A 29 -11.104 5.952 -4.021 1.00 21.45 H new ATOM 0 HD3 ARG A 29 -12.015 7.404 -4.382 1.00 21.45 H new ATOM 0 HE ARG A 29 -13.796 5.142 -4.159 1.00 35.24 H new ATOM 0 HH11 ARG A 29 -11.815 7.373 -2.275 1.00 3.31 H new ATOM 0 HH12 ARG A 29 -12.819 7.227 -0.828 1.00 3.31 H new ATOM 0 HH21 ARG A 29 -15.084 4.960 -2.298 1.00 44.01 H new ATOM 0 HH22 ARG A 29 -14.662 5.866 -0.841 1.00 44.01 H new ATOM 478 N PHE A 30 -16.270 5.799 -6.014 1.00 60.32 N ATOM 479 CA PHE A 30 -17.194 5.290 -5.007 1.00 52.14 C ATOM 480 C PHE A 30 -17.915 4.043 -5.511 1.00 24.20 C ATOM 481 O PHE A 30 -17.876 2.990 -4.874 1.00 11.03 O ATOM 482 CB PHE A 30 -18.215 6.366 -4.632 1.00 74.00 C ATOM 483 CG PHE A 30 -17.728 7.312 -3.572 1.00 24.41 C ATOM 484 CD1 PHE A 30 -17.827 6.980 -2.230 1.00 42.03 C ATOM 485 CD2 PHE A 30 -17.170 8.532 -3.917 1.00 55.41 C ATOM 486 CE1 PHE A 30 -17.379 7.848 -1.252 1.00 64.22 C ATOM 487 CE2 PHE A 30 -16.720 9.404 -2.943 1.00 72.15 C ATOM 488 CZ PHE A 30 -16.825 9.062 -1.609 1.00 75.24 C ATOM 0 H PHE A 30 -16.601 6.626 -6.511 1.00 60.32 H new ATOM 0 HA PHE A 30 -16.617 5.022 -4.122 1.00 52.14 H new ATOM 0 HB2 PHE A 30 -18.475 6.936 -5.524 1.00 74.00 H new ATOM 0 HB3 PHE A 30 -19.129 5.883 -4.285 1.00 74.00 H new ATOM 0 HD1 PHE A 30 -18.259 6.032 -1.945 1.00 42.03 H new ATOM 0 HD2 PHE A 30 -17.086 8.805 -4.958 1.00 55.41 H new ATOM 0 HE1 PHE A 30 -17.462 7.577 -0.210 1.00 64.22 H new ATOM 0 HE2 PHE A 30 -16.287 10.352 -3.225 1.00 72.15 H new ATOM 0 HZ PHE A 30 -16.475 9.742 -0.847 1.00 75.24 H new ATOM 498 N PHE A 31 -18.572 4.169 -6.659 1.00 0.51 N ATOM 499 CA PHE A 31 -19.303 3.054 -7.248 1.00 60.24 C ATOM 500 C PHE A 31 -18.379 1.863 -7.486 1.00 41.13 C ATOM 501 O PHE A 31 -18.813 0.712 -7.462 1.00 14.01 O ATOM 502 CB PHE A 31 -19.952 3.481 -8.566 1.00 50.34 C ATOM 503 CG PHE A 31 -20.957 2.494 -9.087 1.00 54.54 C ATOM 504 CD1 PHE A 31 -22.084 2.177 -8.347 1.00 14.14 C ATOM 505 CD2 PHE A 31 -20.775 1.884 -10.318 1.00 21.33 C ATOM 506 CE1 PHE A 31 -23.012 1.270 -8.823 1.00 63.42 C ATOM 507 CE2 PHE A 31 -21.699 0.976 -10.800 1.00 20.14 C ATOM 508 CZ PHE A 31 -22.818 0.668 -10.051 1.00 30.50 C ATOM 0 H PHE A 31 -18.613 5.033 -7.200 1.00 0.51 H new ATOM 0 HA PHE A 31 -20.082 2.753 -6.548 1.00 60.24 H new ATOM 0 HB2 PHE A 31 -20.441 4.445 -8.425 1.00 50.34 H new ATOM 0 HB3 PHE A 31 -19.174 3.625 -9.315 1.00 50.34 H new ATOM 0 HD1 PHE A 31 -22.240 2.644 -7.386 1.00 14.14 H new ATOM 0 HD2 PHE A 31 -19.901 2.121 -10.907 1.00 21.33 H new ATOM 0 HE1 PHE A 31 -23.887 1.032 -8.236 1.00 63.42 H new ATOM 0 HE2 PHE A 31 -21.546 0.508 -11.761 1.00 20.14 H new ATOM 0 HZ PHE A 31 -23.540 -0.043 -10.425 1.00 30.50 H new ATOM 518 N ALA A 32 -17.102 2.150 -7.717 1.00 22.31 N ATOM 519 CA ALA A 32 -16.116 1.104 -7.958 1.00 24.32 C ATOM 520 C ALA A 32 -15.184 0.942 -6.762 1.00 20.54 C ATOM 521 O ALA A 32 -14.187 0.222 -6.832 1.00 12.30 O ATOM 522 CB ALA A 32 -15.315 1.412 -9.215 1.00 13.34 C ATOM 0 H ALA A 32 -16.726 3.098 -7.742 1.00 22.31 H new ATOM 0 HA ALA A 32 -16.649 0.164 -8.101 1.00 24.32 H new ATOM 0 HB1 ALA A 32 -14.583 0.622 -9.382 1.00 13.34 H new ATOM 0 HB2 ALA A 32 -15.988 1.470 -10.070 1.00 13.34 H new ATOM 0 HB3 ALA A 32 -14.800 2.365 -9.094 1.00 13.34 H new ATOM 528 N ASP A 33 -15.514 1.615 -5.665 1.00 73.40 N ATOM 529 CA ASP A 33 -14.707 1.545 -4.453 1.00 21.34 C ATOM 530 C ASP A 33 -14.546 0.100 -3.990 1.00 3.14 C ATOM 531 O ASP A 33 -13.614 -0.227 -3.254 1.00 34.41 O ATOM 532 CB ASP A 33 -15.343 2.381 -3.342 1.00 11.54 C ATOM 533 CG ASP A 33 -14.763 2.068 -1.976 1.00 74.24 C ATOM 534 OD1 ASP A 33 -15.368 1.254 -1.247 1.00 72.33 O ATOM 535 OD2 ASP A 33 -13.704 2.636 -1.637 1.00 74.32 O ATOM 0 H ASP A 33 -16.335 2.215 -5.591 1.00 73.40 H new ATOM 0 HA ASP A 33 -13.720 1.947 -4.680 1.00 21.34 H new ATOM 0 HB2 ASP A 33 -15.200 3.439 -3.560 1.00 11.54 H new ATOM 0 HB3 ASP A 33 -16.418 2.202 -3.327 1.00 11.54 H new ATOM 540 N LYS A 34 -15.460 -0.761 -4.424 1.00 41.44 N ATOM 541 CA LYS A 34 -15.420 -2.171 -4.056 1.00 14.35 C ATOM 542 C LYS A 34 -14.033 -2.758 -4.297 1.00 55.33 C ATOM 543 O LYS A 34 -13.609 -2.961 -5.435 1.00 4.41 O ATOM 544 CB LYS A 34 -16.464 -2.957 -4.852 1.00 14.31 C ATOM 545 CG LYS A 34 -17.607 -3.485 -4.002 1.00 22.14 C ATOM 546 CD LYS A 34 -17.277 -4.843 -3.406 1.00 64.50 C ATOM 547 CE LYS A 34 -18.082 -5.952 -4.066 1.00 33.02 C ATOM 548 NZ LYS A 34 -17.741 -6.103 -5.508 1.00 14.25 N ATOM 0 H LYS A 34 -16.239 -0.506 -5.032 1.00 41.44 H new ATOM 0 HA LYS A 34 -15.648 -2.249 -2.993 1.00 14.35 H new ATOM 0 HB2 LYS A 34 -16.870 -2.316 -5.634 1.00 14.31 H new ATOM 0 HB3 LYS A 34 -15.975 -3.795 -5.349 1.00 14.31 H new ATOM 0 HG2 LYS A 34 -17.823 -2.778 -3.201 1.00 22.14 H new ATOM 0 HG3 LYS A 34 -18.508 -3.563 -4.610 1.00 22.14 H new ATOM 0 HD2 LYS A 34 -16.212 -5.045 -3.525 1.00 64.50 H new ATOM 0 HD3 LYS A 34 -17.482 -4.831 -2.335 1.00 64.50 H new ATOM 0 HE2 LYS A 34 -17.896 -6.893 -3.548 1.00 33.02 H new ATOM 0 HE3 LYS A 34 -19.146 -5.738 -3.965 1.00 33.02 H new ATOM 0 HZ1 LYS A 34 -18.261 -6.912 -5.905 1.00 14.25 H new ATOM 0 HZ2 LYS A 34 -18.005 -5.237 -6.020 1.00 14.25 H new ATOM 0 HZ3 LYS A 34 -16.719 -6.266 -5.608 1.00 14.25 H new ATOM 562 N PRO A 35 -13.310 -3.039 -3.203 1.00 51.03 N ATOM 563 CA PRO A 35 -11.961 -3.609 -3.271 1.00 52.23 C ATOM 564 C PRO A 35 -11.966 -5.053 -3.759 1.00 70.42 C ATOM 565 O PRO A 35 -12.215 -5.979 -2.986 1.00 54.24 O ATOM 566 CB PRO A 35 -11.472 -3.535 -1.823 1.00 23.22 C ATOM 567 CG PRO A 35 -12.715 -3.544 -1.002 1.00 1.11 C ATOM 568 CD PRO A 35 -13.754 -2.823 -1.816 1.00 5.11 C ATOM 0 HA PRO A 35 -11.327 -3.073 -3.977 1.00 52.23 H new ATOM 0 HB2 PRO A 35 -10.830 -4.381 -1.578 1.00 23.22 H new ATOM 0 HB3 PRO A 35 -10.889 -2.631 -1.648 1.00 23.22 H new ATOM 0 HG2 PRO A 35 -13.030 -4.564 -0.782 1.00 1.11 H new ATOM 0 HG3 PRO A 35 -12.554 -3.047 -0.045 1.00 1.11 H new ATOM 0 HD2 PRO A 35 -14.751 -3.229 -1.645 1.00 5.11 H new ATOM 0 HD3 PRO A 35 -13.795 -1.762 -1.567 1.00 5.11 H new ATOM 576 N ASP A 36 -11.689 -5.240 -5.045 1.00 3.41 N ATOM 577 CA ASP A 36 -11.660 -6.573 -5.636 1.00 5.43 C ATOM 578 C ASP A 36 -10.325 -6.831 -6.328 1.00 51.02 C ATOM 579 O ASP A 36 -9.670 -7.842 -6.076 1.00 10.52 O ATOM 580 CB ASP A 36 -12.807 -6.736 -6.634 1.00 64.40 C ATOM 581 CG ASP A 36 -13.193 -8.188 -6.839 1.00 21.01 C ATOM 582 OD1 ASP A 36 -12.282 -9.030 -6.984 1.00 62.03 O ATOM 583 OD2 ASP A 36 -14.406 -8.482 -6.853 1.00 72.30 O ATOM 0 H ASP A 36 -11.481 -4.485 -5.698 1.00 3.41 H new ATOM 0 HA ASP A 36 -11.780 -7.302 -4.835 1.00 5.43 H new ATOM 0 HB2 ASP A 36 -13.675 -6.179 -6.280 1.00 64.40 H new ATOM 0 HB3 ASP A 36 -12.517 -6.301 -7.591 1.00 64.40 H new ATOM 588 N GLU A 37 -9.930 -5.911 -7.203 1.00 30.02 N ATOM 589 CA GLU A 37 -8.675 -6.041 -7.933 1.00 24.41 C ATOM 590 C GLU A 37 -7.583 -5.188 -7.294 1.00 43.45 C ATOM 591 O GLU A 37 -6.411 -5.564 -7.286 1.00 51.14 O ATOM 592 CB GLU A 37 -8.865 -5.635 -9.396 1.00 20.02 C ATOM 593 CG GLU A 37 -9.251 -4.177 -9.577 1.00 53.20 C ATOM 594 CD GLU A 37 -8.068 -3.300 -9.937 1.00 4.04 C ATOM 595 OE1 GLU A 37 -7.902 -2.237 -9.301 1.00 75.52 O ATOM 596 OE2 GLU A 37 -7.307 -3.676 -10.853 1.00 2.43 O ATOM 0 H GLU A 37 -10.461 -5.068 -7.423 1.00 30.02 H new ATOM 0 HA GLU A 37 -8.367 -7.086 -7.891 1.00 24.41 H new ATOM 0 HB2 GLU A 37 -7.941 -5.828 -9.941 1.00 20.02 H new ATOM 0 HB3 GLU A 37 -9.635 -6.264 -9.842 1.00 20.02 H new ATOM 0 HG2 GLU A 37 -10.007 -4.100 -10.359 1.00 53.20 H new ATOM 0 HG3 GLU A 37 -9.705 -3.808 -8.657 1.00 53.20 H new ATOM 603 N ALA A 38 -7.977 -4.036 -6.761 1.00 5.01 N ATOM 604 CA ALA A 38 -7.033 -3.129 -6.119 1.00 60.20 C ATOM 605 C ALA A 38 -6.897 -3.440 -4.632 1.00 74.13 C ATOM 606 O ALA A 38 -5.827 -3.828 -4.163 1.00 61.01 O ATOM 607 CB ALA A 38 -7.468 -1.685 -6.321 1.00 32.23 C ATOM 0 H ALA A 38 -8.943 -3.709 -6.761 1.00 5.01 H new ATOM 0 HA ALA A 38 -6.057 -3.271 -6.584 1.00 60.20 H new ATOM 0 HB1 ALA A 38 -6.754 -1.019 -5.837 1.00 32.23 H new ATOM 0 HB2 ALA A 38 -7.506 -1.462 -7.387 1.00 32.23 H new ATOM 0 HB3 ALA A 38 -8.456 -1.538 -5.884 1.00 32.23 H new ATOM 613 N THR A 39 -7.989 -3.267 -3.894 1.00 54.21 N ATOM 614 CA THR A 39 -7.992 -3.527 -2.460 1.00 62.11 C ATOM 615 C THR A 39 -6.847 -2.797 -1.767 1.00 31.11 C ATOM 616 O THR A 39 -6.343 -3.248 -0.737 1.00 43.34 O ATOM 617 CB THR A 39 -7.879 -5.034 -2.162 1.00 75.25 C ATOM 618 OG1 THR A 39 -6.513 -5.452 -2.260 1.00 75.45 O ATOM 619 CG2 THR A 39 -8.733 -5.842 -3.129 1.00 1.32 C ATOM 0 H THR A 39 -8.883 -2.948 -4.266 1.00 54.21 H new ATOM 0 HA THR A 39 -8.942 -3.158 -2.074 1.00 62.11 H new ATOM 0 HB THR A 39 -8.240 -5.210 -1.149 1.00 75.25 H new ATOM 0 HG1 THR A 39 -6.171 -5.245 -3.155 1.00 75.45 H new ATOM 0 HG21 THR A 39 -8.637 -6.903 -2.899 1.00 1.32 H new ATOM 0 HG22 THR A 39 -9.776 -5.542 -3.031 1.00 1.32 H new ATOM 0 HG23 THR A 39 -8.398 -5.660 -4.150 1.00 1.32 H new ATOM 627 N LEU A 40 -6.441 -1.668 -2.336 1.00 52.42 N ATOM 628 CA LEU A 40 -5.355 -0.874 -1.772 1.00 12.41 C ATOM 629 C LEU A 40 -5.863 0.022 -0.647 1.00 13.32 C ATOM 630 O LEU A 40 -7.062 0.068 -0.369 1.00 63.41 O ATOM 631 CB LEU A 40 -4.700 -0.022 -2.861 1.00 34.10 C ATOM 632 CG LEU A 40 -5.375 1.316 -3.163 1.00 52.31 C ATOM 633 CD1 LEU A 40 -4.530 2.135 -4.126 1.00 62.04 C ATOM 634 CD2 LEU A 40 -6.770 1.094 -3.731 1.00 3.44 C ATOM 0 H LEU A 40 -6.847 -1.281 -3.188 1.00 52.42 H new ATOM 0 HA LEU A 40 -4.614 -1.559 -1.360 1.00 12.41 H new ATOM 0 HB2 LEU A 40 -3.668 0.172 -2.571 1.00 34.10 H new ATOM 0 HB3 LEU A 40 -4.668 -0.606 -3.781 1.00 34.10 H new ATOM 0 HG LEU A 40 -5.468 1.872 -2.230 1.00 52.31 H new ATOM 0 HD11 LEU A 40 -5.026 3.084 -4.329 1.00 62.04 H new ATOM 0 HD12 LEU A 40 -3.553 2.325 -3.682 1.00 62.04 H new ATOM 0 HD13 LEU A 40 -4.404 1.584 -5.058 1.00 62.04 H new ATOM 0 HD21 LEU A 40 -7.235 2.057 -3.940 1.00 3.44 H new ATOM 0 HD22 LEU A 40 -6.700 0.517 -4.653 1.00 3.44 H new ATOM 0 HD23 LEU A 40 -7.375 0.548 -3.007 1.00 3.44 H new ATOM 646 N SER A 41 -4.944 0.735 -0.004 1.00 0.20 N ATOM 647 CA SER A 41 -5.299 1.629 1.092 1.00 5.21 C ATOM 648 C SER A 41 -5.526 3.049 0.583 1.00 50.30 C ATOM 649 O SER A 41 -5.199 3.388 -0.555 1.00 0.24 O ATOM 650 CB SER A 41 -4.199 1.627 2.156 1.00 33.22 C ATOM 651 OG SER A 41 -3.224 0.637 1.879 1.00 4.13 O ATOM 0 H SER A 41 -3.948 0.711 -0.223 1.00 0.20 H new ATOM 0 HA SER A 41 -6.226 1.268 1.537 1.00 5.21 H new ATOM 0 HB2 SER A 41 -3.725 2.608 2.195 1.00 33.22 H new ATOM 0 HB3 SER A 41 -4.638 1.445 3.137 1.00 33.22 H new ATOM 0 HG SER A 41 -2.531 0.657 2.572 1.00 4.13 H new ATOM 657 N PRO A 42 -6.101 3.901 1.445 1.00 2.11 N ATOM 658 CA PRO A 42 -6.385 5.299 1.106 1.00 31.34 C ATOM 659 C PRO A 42 -5.116 6.133 0.976 1.00 4.42 C ATOM 660 O PRO A 42 -5.177 7.355 0.842 1.00 1.01 O ATOM 661 CB PRO A 42 -7.227 5.786 2.288 1.00 4.15 C ATOM 662 CG PRO A 42 -6.832 4.905 3.423 1.00 1.22 C ATOM 663 CD PRO A 42 -6.517 3.565 2.817 1.00 2.52 C ATOM 0 HA PRO A 42 -6.885 5.391 0.142 1.00 31.34 H new ATOM 0 HB2 PRO A 42 -7.027 6.834 2.512 1.00 4.15 H new ATOM 0 HB3 PRO A 42 -8.293 5.704 2.075 1.00 4.15 H new ATOM 0 HG2 PRO A 42 -5.966 5.309 3.948 1.00 1.22 H new ATOM 0 HG3 PRO A 42 -7.638 4.824 4.153 1.00 1.22 H new ATOM 0 HD2 PRO A 42 -5.725 3.053 3.363 1.00 2.52 H new ATOM 0 HD3 PRO A 42 -7.386 2.907 2.824 1.00 2.52 H new ATOM 671 N GLU A 43 -3.967 5.465 1.016 1.00 1.52 N ATOM 672 CA GLU A 43 -2.683 6.148 0.903 1.00 71.42 C ATOM 673 C GLU A 43 -2.654 7.051 -0.327 1.00 3.24 C ATOM 674 O GLU A 43 -1.973 8.077 -0.340 1.00 75.40 O ATOM 675 CB GLU A 43 -1.544 5.129 0.828 1.00 61.21 C ATOM 676 CG GLU A 43 -1.153 4.756 -0.592 1.00 74.14 C ATOM 677 CD GLU A 43 -0.203 5.758 -1.218 1.00 63.12 C ATOM 678 OE1 GLU A 43 -0.029 5.718 -2.454 1.00 72.04 O ATOM 679 OE2 GLU A 43 0.368 6.581 -0.473 1.00 14.34 O ATOM 0 H GLU A 43 -3.899 4.453 1.126 1.00 1.52 H new ATOM 0 HA GLU A 43 -2.550 6.767 1.790 1.00 71.42 H new ATOM 0 HB2 GLU A 43 -0.672 5.533 1.342 1.00 61.21 H new ATOM 0 HB3 GLU A 43 -1.839 4.227 1.363 1.00 61.21 H new ATOM 0 HG2 GLU A 43 -0.686 3.771 -0.589 1.00 74.14 H new ATOM 0 HG3 GLU A 43 -2.052 4.681 -1.204 1.00 74.14 H new ATOM 686 N MET A 44 -3.396 6.662 -1.358 1.00 34.34 N ATOM 687 CA MET A 44 -3.456 7.436 -2.592 1.00 12.53 C ATOM 688 C MET A 44 -4.494 8.550 -2.485 1.00 64.30 C ATOM 689 O MET A 44 -4.367 9.594 -3.125 1.00 21.11 O ATOM 690 CB MET A 44 -3.788 6.526 -3.775 1.00 73.32 C ATOM 691 CG MET A 44 -5.186 5.932 -3.711 1.00 70.44 C ATOM 692 SD MET A 44 -6.386 6.875 -4.671 1.00 70.24 S ATOM 693 CE MET A 44 -7.881 6.575 -3.732 1.00 55.32 C ATOM 0 H MET A 44 -3.964 5.815 -1.363 1.00 34.34 H new ATOM 0 HA MET A 44 -2.478 7.889 -2.755 1.00 12.53 H new ATOM 0 HB2 MET A 44 -3.685 7.094 -4.700 1.00 73.32 H new ATOM 0 HB3 MET A 44 -3.059 5.716 -3.816 1.00 73.32 H new ATOM 0 HG2 MET A 44 -5.158 4.906 -4.079 1.00 70.44 H new ATOM 0 HG3 MET A 44 -5.511 5.889 -2.672 1.00 70.44 H new ATOM 0 HE1 MET A 44 -8.533 5.904 -4.291 1.00 55.32 H new ATOM 0 HE2 MET A 44 -7.625 6.119 -2.776 1.00 55.32 H new ATOM 0 HE3 MET A 44 -8.397 7.519 -3.557 1.00 55.32 H new ATOM 703 N LYS A 45 -5.520 8.320 -1.673 1.00 41.10 N ATOM 704 CA LYS A 45 -6.579 9.303 -1.481 1.00 53.42 C ATOM 705 C LYS A 45 -6.053 10.534 -0.749 1.00 75.12 C ATOM 706 O LYS A 45 -6.625 11.619 -0.851 1.00 72.32 O ATOM 707 CB LYS A 45 -7.739 8.687 -0.696 1.00 75.14 C ATOM 708 CG LYS A 45 -8.909 9.635 -0.494 1.00 43.11 C ATOM 709 CD LYS A 45 -10.190 9.075 -1.088 1.00 33.44 C ATOM 710 CE LYS A 45 -11.344 10.056 -0.950 1.00 32.14 C ATOM 711 NZ LYS A 45 -12.085 10.225 -2.231 1.00 5.14 N ATOM 0 H LYS A 45 -5.641 7.461 -1.137 1.00 41.10 H new ATOM 0 HA LYS A 45 -6.936 9.611 -2.464 1.00 53.42 H new ATOM 0 HB2 LYS A 45 -8.089 7.798 -1.220 1.00 75.14 H new ATOM 0 HB3 LYS A 45 -7.375 8.360 0.278 1.00 75.14 H new ATOM 0 HG2 LYS A 45 -9.050 9.818 0.571 1.00 43.11 H new ATOM 0 HG3 LYS A 45 -8.683 10.596 -0.955 1.00 43.11 H new ATOM 0 HD2 LYS A 45 -10.033 8.843 -2.141 1.00 33.44 H new ATOM 0 HD3 LYS A 45 -10.445 8.140 -0.590 1.00 33.44 H new ATOM 0 HE2 LYS A 45 -12.029 9.705 -0.178 1.00 32.14 H new ATOM 0 HE3 LYS A 45 -10.962 11.022 -0.621 1.00 32.14 H new ATOM 0 HZ1 LYS A 45 -12.582 11.139 -2.227 1.00 5.14 H new ATOM 0 HZ2 LYS A 45 -11.415 10.199 -3.026 1.00 5.14 H new ATOM 0 HZ3 LYS A 45 -12.776 9.455 -2.336 1.00 5.14 H new ATOM 725 N GLU A 46 -4.961 10.357 -0.013 1.00 2.12 N ATOM 726 CA GLU A 46 -4.359 11.454 0.735 1.00 3.51 C ATOM 727 C GLU A 46 -3.401 12.252 -0.146 1.00 15.54 C ATOM 728 O GLU A 46 -3.294 13.473 -0.019 1.00 32.35 O ATOM 729 CB GLU A 46 -3.615 10.919 1.960 1.00 31.53 C ATOM 730 CG GLU A 46 -4.325 11.200 3.274 1.00 23.21 C ATOM 731 CD GLU A 46 -3.531 10.731 4.478 1.00 60.40 C ATOM 732 OE1 GLU A 46 -2.288 10.663 4.378 1.00 2.24 O ATOM 733 OE2 GLU A 46 -4.152 10.431 5.519 1.00 71.12 O ATOM 0 H GLU A 46 -4.475 9.465 0.081 1.00 2.12 H new ATOM 0 HA GLU A 46 -5.160 12.116 1.066 1.00 3.51 H new ATOM 0 HB2 GLU A 46 -3.481 9.843 1.852 1.00 31.53 H new ATOM 0 HB3 GLU A 46 -2.620 11.362 1.992 1.00 31.53 H new ATOM 0 HG2 GLU A 46 -4.511 12.271 3.361 1.00 23.21 H new ATOM 0 HG3 GLU A 46 -5.297 10.707 3.270 1.00 23.21 H new ATOM 740 N HIS A 47 -2.707 11.554 -1.039 1.00 10.45 N ATOM 741 CA HIS A 47 -1.758 12.197 -1.941 1.00 72.10 C ATOM 742 C HIS A 47 -2.476 12.801 -3.144 1.00 73.32 C ATOM 743 O HIS A 47 -2.251 13.959 -3.497 1.00 73.41 O ATOM 744 CB HIS A 47 -0.708 11.190 -2.412 1.00 1.44 C ATOM 745 CG HIS A 47 0.591 11.822 -2.810 1.00 34.33 C ATOM 746 ND1 HIS A 47 1.401 11.314 -3.804 1.00 14.43 N ATOM 747 CD2 HIS A 47 1.218 12.927 -2.343 1.00 32.54 C ATOM 748 CE1 HIS A 47 2.471 12.079 -3.930 1.00 34.14 C ATOM 749 NE2 HIS A 47 2.384 13.065 -3.055 1.00 32.43 N ATOM 0 H HIS A 47 -2.784 10.544 -1.157 1.00 10.45 H new ATOM 0 HA HIS A 47 -1.262 13.000 -1.395 1.00 72.10 H new ATOM 0 HB2 HIS A 47 -0.523 10.470 -1.615 1.00 1.44 H new ATOM 0 HB3 HIS A 47 -1.106 10.632 -3.259 1.00 1.44 H new ATOM 0 HD2 HIS A 47 0.867 13.579 -1.557 1.00 32.54 H new ATOM 0 HE1 HIS A 47 3.279 11.924 -4.629 1.00 34.14 H new ATOM 0 HE2 HIS A 47 3.071 13.808 -2.929 1.00 32.43 H new ATOM 757 N TYR A 48 -3.340 12.009 -3.770 1.00 20.10 N ATOM 758 CA TYR A 48 -4.088 12.464 -4.935 1.00 55.24 C ATOM 759 C TYR A 48 -4.866 13.739 -4.620 1.00 23.41 C ATOM 760 O TYR A 48 -5.177 14.526 -5.513 1.00 65.53 O ATOM 761 CB TYR A 48 -5.049 11.372 -5.410 1.00 2.14 C ATOM 762 CG TYR A 48 -4.380 10.291 -6.228 1.00 23.01 C ATOM 763 CD1 TYR A 48 -5.127 9.437 -7.030 1.00 41.33 C ATOM 764 CD2 TYR A 48 -3.001 10.122 -6.198 1.00 40.41 C ATOM 765 CE1 TYR A 48 -4.520 8.448 -7.779 1.00 71.52 C ATOM 766 CE2 TYR A 48 -2.386 9.136 -6.945 1.00 4.43 C ATOM 767 CZ TYR A 48 -3.149 8.301 -7.733 1.00 54.54 C ATOM 768 OH TYR A 48 -2.540 7.317 -8.478 1.00 13.24 O ATOM 0 H TYR A 48 -3.539 11.049 -3.490 1.00 20.10 H new ATOM 0 HA TYR A 48 -3.374 12.682 -5.730 1.00 55.24 H new ATOM 0 HB2 TYR A 48 -5.526 10.917 -4.542 1.00 2.14 H new ATOM 0 HB3 TYR A 48 -5.840 11.829 -6.005 1.00 2.14 H new ATOM 0 HD1 TYR A 48 -6.201 9.548 -7.068 1.00 41.33 H new ATOM 0 HD2 TYR A 48 -2.400 10.773 -5.580 1.00 40.41 H new ATOM 0 HE1 TYR A 48 -5.116 7.793 -8.398 1.00 71.52 H new ATOM 0 HE2 TYR A 48 -1.313 9.020 -6.912 1.00 4.43 H new ATOM 0 HH TYR A 48 -2.020 7.728 -9.200 1.00 13.24 H new ATOM 778 N GLU A 49 -5.175 13.934 -3.342 1.00 12.10 N ATOM 779 CA GLU A 49 -5.916 15.113 -2.908 1.00 31.42 C ATOM 780 C GLU A 49 -5.100 16.382 -3.133 1.00 40.15 C ATOM 781 O GLU A 49 -5.639 17.489 -3.136 1.00 74.23 O ATOM 782 CB GLU A 49 -6.291 14.991 -1.429 1.00 74.55 C ATOM 783 CG GLU A 49 -7.689 15.494 -1.113 1.00 15.32 C ATOM 784 CD GLU A 49 -7.893 15.760 0.366 1.00 4.42 C ATOM 785 OE1 GLU A 49 -7.861 16.943 0.765 1.00 4.53 O ATOM 786 OE2 GLU A 49 -8.083 14.787 1.124 1.00 32.41 O ATOM 0 H GLU A 49 -4.924 13.292 -2.590 1.00 12.10 H new ATOM 0 HA GLU A 49 -6.827 15.177 -3.503 1.00 31.42 H new ATOM 0 HB2 GLU A 49 -6.213 13.946 -1.128 1.00 74.55 H new ATOM 0 HB3 GLU A 49 -5.569 15.549 -0.833 1.00 74.55 H new ATOM 0 HG2 GLU A 49 -7.876 16.411 -1.672 1.00 15.32 H new ATOM 0 HG3 GLU A 49 -8.420 14.760 -1.450 1.00 15.32 H new ATOM 793 N LYS A 50 -3.795 16.214 -3.322 1.00 35.01 N ATOM 794 CA LYS A 50 -2.903 17.344 -3.549 1.00 42.22 C ATOM 795 C LYS A 50 -2.874 17.727 -5.026 1.00 35.25 C ATOM 796 O LYS A 50 -2.513 18.849 -5.379 1.00 44.23 O ATOM 797 CB LYS A 50 -1.488 17.008 -3.071 1.00 74.45 C ATOM 798 CG LYS A 50 -1.339 17.016 -1.560 1.00 21.10 C ATOM 799 CD LYS A 50 0.076 16.658 -1.138 1.00 2.43 C ATOM 800 CE LYS A 50 0.174 16.453 0.366 1.00 1.23 C ATOM 801 NZ LYS A 50 1.402 17.078 0.933 1.00 74.34 N ATOM 0 H LYS A 50 -3.332 15.305 -3.322 1.00 35.01 H new ATOM 0 HA LYS A 50 -3.281 18.193 -2.979 1.00 42.22 H new ATOM 0 HB2 LYS A 50 -1.209 16.025 -3.450 1.00 74.45 H new ATOM 0 HB3 LYS A 50 -0.788 17.725 -3.501 1.00 74.45 H new ATOM 0 HG2 LYS A 50 -1.597 18.002 -1.173 1.00 21.10 H new ATOM 0 HG3 LYS A 50 -2.041 16.308 -1.120 1.00 21.10 H new ATOM 0 HD2 LYS A 50 0.391 15.750 -1.651 1.00 2.43 H new ATOM 0 HD3 LYS A 50 0.759 17.450 -1.444 1.00 2.43 H new ATOM 0 HE2 LYS A 50 -0.706 16.879 0.848 1.00 1.23 H new ATOM 0 HE3 LYS A 50 0.174 15.386 0.588 1.00 1.23 H new ATOM 0 HZ1 LYS A 50 1.432 16.916 1.960 1.00 74.34 H new ATOM 0 HZ2 LYS A 50 2.243 16.654 0.491 1.00 74.34 H new ATOM 0 HZ3 LYS A 50 1.390 18.101 0.744 1.00 74.34 H new ATOM 815 N PHE A 51 -3.260 16.788 -5.883 1.00 63.41 N ATOM 816 CA PHE A 51 -3.279 17.027 -7.321 1.00 62.14 C ATOM 817 C PHE A 51 -4.600 17.659 -7.750 1.00 43.30 C ATOM 818 O PHE A 51 -4.625 18.560 -8.588 1.00 21.00 O ATOM 819 CB PHE A 51 -3.057 15.717 -8.081 1.00 12.22 C ATOM 820 CG PHE A 51 -2.463 15.909 -9.447 1.00 5.44 C ATOM 821 CD1 PHE A 51 -2.985 15.244 -10.544 1.00 24.00 C ATOM 822 CD2 PHE A 51 -1.381 16.755 -9.633 1.00 1.21 C ATOM 823 CE1 PHE A 51 -2.440 15.419 -11.802 1.00 60.13 C ATOM 824 CE2 PHE A 51 -0.832 16.934 -10.889 1.00 14.42 C ATOM 825 CZ PHE A 51 -1.362 16.264 -11.975 1.00 2.54 C ATOM 0 H PHE A 51 -3.564 15.854 -5.607 1.00 63.41 H new ATOM 0 HA PHE A 51 -2.471 17.719 -7.559 1.00 62.14 H new ATOM 0 HB2 PHE A 51 -2.400 15.073 -7.495 1.00 12.22 H new ATOM 0 HB3 PHE A 51 -4.010 15.197 -8.178 1.00 12.22 H new ATOM 0 HD1 PHE A 51 -3.828 14.581 -10.415 1.00 24.00 H new ATOM 0 HD2 PHE A 51 -0.962 17.280 -8.787 1.00 1.21 H new ATOM 0 HE1 PHE A 51 -2.857 14.895 -12.649 1.00 60.13 H new ATOM 0 HE2 PHE A 51 0.010 17.597 -11.021 1.00 14.42 H new ATOM 0 HZ PHE A 51 -0.934 16.401 -12.957 1.00 2.54 H new ATOM 835 N GLU A 52 -5.695 17.180 -7.169 1.00 22.53 N ATOM 836 CA GLU A 52 -7.019 17.697 -7.492 1.00 33.24 C ATOM 837 C GLU A 52 -7.051 19.219 -7.382 1.00 64.42 C ATOM 838 O GLU A 52 -7.596 19.904 -8.247 1.00 73.14 O ATOM 839 CB GLU A 52 -8.070 17.086 -6.562 1.00 53.03 C ATOM 840 CG GLU A 52 -7.674 17.110 -5.096 1.00 3.33 C ATOM 841 CD GLU A 52 -8.758 16.561 -4.189 1.00 10.40 C ATOM 842 OE1 GLU A 52 -9.255 17.322 -3.332 1.00 22.23 O ATOM 843 OE2 GLU A 52 -9.110 15.372 -4.336 1.00 44.31 O ATOM 0 H GLU A 52 -5.691 16.435 -6.472 1.00 22.53 H new ATOM 0 HA GLU A 52 -7.248 17.419 -8.521 1.00 33.24 H new ATOM 0 HB2 GLU A 52 -9.009 17.626 -6.685 1.00 53.03 H new ATOM 0 HB3 GLU A 52 -8.253 16.055 -6.863 1.00 53.03 H new ATOM 0 HG2 GLU A 52 -6.763 16.528 -4.960 1.00 3.33 H new ATOM 0 HG3 GLU A 52 -7.444 18.134 -4.802 1.00 3.33 H new ATOM 850 N LYS A 53 -6.462 19.741 -6.312 1.00 3.01 N ATOM 851 CA LYS A 53 -6.420 21.181 -6.087 1.00 52.13 C ATOM 852 C LYS A 53 -5.829 21.903 -7.294 1.00 1.22 C ATOM 853 O LYS A 53 -6.115 23.077 -7.527 1.00 45.24 O ATOM 854 CB LYS A 53 -5.599 21.499 -4.836 1.00 3.40 C ATOM 855 CG LYS A 53 -6.428 21.569 -3.565 1.00 41.24 C ATOM 856 CD LYS A 53 -5.549 21.673 -2.331 1.00 25.14 C ATOM 857 CE LYS A 53 -6.335 21.387 -1.060 1.00 52.55 C ATOM 858 NZ LYS A 53 -5.443 21.241 0.123 1.00 35.51 N ATOM 0 H LYS A 53 -6.007 19.188 -5.586 1.00 3.01 H new ATOM 0 HA LYS A 53 -7.442 21.531 -5.941 1.00 52.13 H new ATOM 0 HB2 LYS A 53 -4.828 20.738 -4.715 1.00 3.40 H new ATOM 0 HB3 LYS A 53 -5.088 22.451 -4.979 1.00 3.40 H new ATOM 0 HG2 LYS A 53 -7.095 22.430 -3.611 1.00 41.24 H new ATOM 0 HG3 LYS A 53 -7.057 20.682 -3.491 1.00 41.24 H new ATOM 0 HD2 LYS A 53 -4.720 20.970 -2.413 1.00 25.14 H new ATOM 0 HD3 LYS A 53 -5.116 22.672 -2.275 1.00 25.14 H new ATOM 0 HE2 LYS A 53 -7.044 22.195 -0.882 1.00 52.55 H new ATOM 0 HE3 LYS A 53 -6.917 20.475 -1.191 1.00 52.55 H new ATOM 0 HZ1 LYS A 53 -6.017 21.047 0.968 1.00 35.51 H new ATOM 0 HZ2 LYS A 53 -4.782 20.454 -0.035 1.00 35.51 H new ATOM 0 HZ3 LYS A 53 -4.906 22.120 0.263 1.00 35.51 H new ATOM 872 N MET A 54 -5.005 21.193 -8.057 1.00 60.04 N ATOM 873 CA MET A 54 -4.376 21.766 -9.242 1.00 11.54 C ATOM 874 C MET A 54 -5.344 21.775 -10.421 1.00 25.51 C ATOM 875 O MET A 54 -5.299 22.669 -11.266 1.00 13.54 O ATOM 876 CB MET A 54 -3.115 20.981 -9.607 1.00 31.14 C ATOM 877 CG MET A 54 -1.842 21.808 -9.534 1.00 63.21 C ATOM 878 SD MET A 54 -0.422 20.848 -8.974 1.00 5.53 S ATOM 879 CE MET A 54 0.926 21.923 -9.460 1.00 42.13 C ATOM 0 H MET A 54 -4.757 20.220 -7.876 1.00 60.04 H new ATOM 0 HA MET A 54 -4.100 22.796 -9.014 1.00 11.54 H new ATOM 0 HB2 MET A 54 -3.022 20.126 -8.937 1.00 31.14 H new ATOM 0 HB3 MET A 54 -3.223 20.584 -10.616 1.00 31.14 H new ATOM 0 HG2 MET A 54 -1.628 22.226 -10.518 1.00 63.21 H new ATOM 0 HG3 MET A 54 -1.997 22.648 -8.857 1.00 63.21 H new ATOM 0 HE1 MET A 54 1.875 21.466 -9.180 1.00 42.13 H new ATOM 0 HE2 MET A 54 0.900 22.074 -10.539 1.00 42.13 H new ATOM 0 HE3 MET A 54 0.824 22.884 -8.957 1.00 42.13 H new ATOM 889 N ILE A 55 -6.215 20.773 -10.472 1.00 54.21 N ATOM 890 CA ILE A 55 -7.193 20.667 -11.548 1.00 33.43 C ATOM 891 C ILE A 55 -7.993 21.957 -11.693 1.00 70.34 C ATOM 892 O ILE A 55 -7.930 22.624 -12.726 1.00 21.33 O ATOM 893 CB ILE A 55 -8.166 19.497 -11.310 1.00 34.31 C ATOM 894 CG1 ILE A 55 -7.397 18.178 -11.209 1.00 35.24 C ATOM 895 CG2 ILE A 55 -9.198 19.430 -12.426 1.00 43.54 C ATOM 896 CD1 ILE A 55 -8.271 16.995 -10.851 1.00 5.41 C ATOM 0 H ILE A 55 -6.264 20.024 -9.782 1.00 54.21 H new ATOM 0 HA ILE A 55 -6.634 20.484 -12.466 1.00 33.43 H new ATOM 0 HB ILE A 55 -8.688 19.665 -10.368 1.00 34.31 H new ATOM 0 HG12 ILE A 55 -6.904 17.980 -12.161 1.00 35.24 H new ATOM 0 HG13 ILE A 55 -6.613 18.280 -10.459 1.00 35.24 H new ATOM 0 HG21 ILE A 55 -9.878 18.598 -12.243 1.00 43.54 H new ATOM 0 HG22 ILE A 55 -9.764 20.361 -12.455 1.00 43.54 H new ATOM 0 HG23 ILE A 55 -8.693 19.283 -13.380 1.00 43.54 H new ATOM 0 HD11 ILE A 55 -7.660 16.094 -10.797 1.00 5.41 H new ATOM 0 HD12 ILE A 55 -8.744 17.171 -9.885 1.00 5.41 H new ATOM 0 HD13 ILE A 55 -9.040 16.867 -11.613 1.00 5.41 H new ATOM 908 N GLN A 56 -8.743 22.302 -10.652 1.00 10.40 N ATOM 909 CA GLN A 56 -9.554 23.514 -10.664 1.00 73.11 C ATOM 910 C GLN A 56 -8.675 24.757 -10.749 1.00 41.10 C ATOM 911 O GLN A 56 -9.157 25.850 -11.046 1.00 24.22 O ATOM 912 CB GLN A 56 -10.430 23.579 -9.412 1.00 33.12 C ATOM 913 CG GLN A 56 -11.911 23.741 -9.713 1.00 75.11 C ATOM 914 CD GLN A 56 -12.637 24.550 -8.656 1.00 41.34 C ATOM 915 OE1 GLN A 56 -12.414 24.371 -7.459 1.00 4.22 O ATOM 916 NE2 GLN A 56 -13.512 25.448 -9.095 1.00 22.11 N ATOM 0 H GLN A 56 -8.806 21.760 -9.790 1.00 10.40 H new ATOM 0 HA GLN A 56 -10.194 23.484 -11.546 1.00 73.11 H new ATOM 0 HB2 GLN A 56 -10.284 22.670 -8.829 1.00 33.12 H new ATOM 0 HB3 GLN A 56 -10.101 24.412 -8.791 1.00 33.12 H new ATOM 0 HG2 GLN A 56 -12.030 24.226 -10.682 1.00 75.11 H new ATOM 0 HG3 GLN A 56 -12.372 22.756 -9.791 1.00 75.11 H new ATOM 0 HE21 GLN A 56 -13.666 25.563 -10.097 1.00 22.11 H new ATOM 0 HE22 GLN A 56 -14.030 26.022 -8.430 1.00 22.11 H new ATOM 925 N GLU A 57 -7.384 24.582 -10.486 1.00 63.21 N ATOM 926 CA GLU A 57 -6.438 25.691 -10.532 1.00 20.20 C ATOM 927 C GLU A 57 -6.043 26.010 -11.971 1.00 53.10 C ATOM 928 O GLU A 57 -5.859 27.173 -12.333 1.00 34.22 O ATOM 929 CB GLU A 57 -5.190 25.360 -9.711 1.00 10.33 C ATOM 930 CG GLU A 57 -4.313 26.567 -9.424 1.00 2.31 C ATOM 931 CD GLU A 57 -3.730 26.546 -8.024 1.00 60.42 C ATOM 932 OE1 GLU A 57 -3.352 27.625 -7.523 1.00 14.43 O ATOM 933 OE2 GLU A 57 -3.651 25.450 -7.431 1.00 31.14 O ATOM 0 H GLU A 57 -6.969 23.683 -10.239 1.00 63.21 H new ATOM 0 HA GLU A 57 -6.924 26.568 -10.104 1.00 20.20 H new ATOM 0 HB2 GLU A 57 -5.496 24.910 -8.766 1.00 10.33 H new ATOM 0 HB3 GLU A 57 -4.602 24.613 -10.244 1.00 10.33 H new ATOM 0 HG2 GLU A 57 -3.501 26.603 -10.151 1.00 2.31 H new ATOM 0 HG3 GLU A 57 -4.899 27.477 -9.556 1.00 2.31 H new ATOM 940 N HIS A 58 -5.914 24.969 -12.788 1.00 13.41 N ATOM 941 CA HIS A 58 -5.541 25.138 -14.188 1.00 34.01 C ATOM 942 C HIS A 58 -5.376 23.785 -14.873 1.00 30.31 C ATOM 943 O HIS A 58 -5.690 23.632 -16.054 1.00 22.31 O ATOM 944 CB HIS A 58 -4.245 25.941 -14.299 1.00 61.21 C ATOM 945 CG HIS A 58 -4.394 27.215 -15.072 1.00 1.00 C ATOM 946 ND1 HIS A 58 -3.911 28.427 -14.626 1.00 23.15 N ATOM 947 CD2 HIS A 58 -4.975 27.461 -16.269 1.00 41.44 C ATOM 948 CE1 HIS A 58 -4.190 29.364 -15.514 1.00 63.10 C ATOM 949 NE2 HIS A 58 -4.835 28.804 -16.521 1.00 42.05 N ATOM 0 H HIS A 58 -6.062 24.000 -12.505 1.00 13.41 H new ATOM 0 HA HIS A 58 -6.341 25.684 -14.689 1.00 34.01 H new ATOM 0 HB2 HIS A 58 -3.885 26.174 -13.297 1.00 61.21 H new ATOM 0 HB3 HIS A 58 -3.484 25.323 -14.776 1.00 61.21 H new ATOM 0 HD2 HIS A 58 -5.459 26.736 -16.907 1.00 41.44 H new ATOM 0 HE1 HIS A 58 -3.934 30.410 -15.431 1.00 63.10 H new ATOM 0 HE2 HIS A 58 -5.174 29.290 -17.351 1.00 42.05 H new ATOM 957 N THR A 59 -4.880 22.804 -14.124 1.00 53.41 N ATOM 958 CA THR A 59 -4.671 21.465 -14.659 1.00 73.12 C ATOM 959 C THR A 59 -5.903 20.975 -15.412 1.00 11.21 C ATOM 960 O THR A 59 -5.793 20.213 -16.372 1.00 60.13 O ATOM 961 CB THR A 59 -4.333 20.460 -13.542 1.00 13.02 C ATOM 962 OG1 THR A 59 -2.913 20.357 -13.389 1.00 33.31 O ATOM 963 CG2 THR A 59 -4.916 19.090 -13.852 1.00 31.40 C ATOM 0 H THR A 59 -4.616 22.913 -13.145 1.00 53.41 H new ATOM 0 HA THR A 59 -3.829 21.528 -15.348 1.00 73.12 H new ATOM 0 HB THR A 59 -4.773 20.822 -12.613 1.00 13.02 H new ATOM 0 HG1 THR A 59 -2.662 19.415 -13.293 1.00 33.31 H new ATOM 0 HG21 THR A 59 -4.664 18.397 -13.049 1.00 31.40 H new ATOM 0 HG22 THR A 59 -6.000 19.167 -13.938 1.00 31.40 H new ATOM 0 HG23 THR A 59 -4.502 18.723 -14.791 1.00 31.40 H new ATOM 971 N ASP A 60 -7.075 21.418 -14.970 1.00 51.05 N ATOM 972 CA ASP A 60 -8.329 21.026 -15.604 1.00 64.23 C ATOM 973 C ASP A 60 -8.277 21.271 -17.109 1.00 2.30 C ATOM 974 O ASP A 60 -8.874 20.531 -17.891 1.00 12.31 O ATOM 975 CB ASP A 60 -9.498 21.796 -14.989 1.00 74.53 C ATOM 976 CG ASP A 60 -10.802 21.550 -15.723 1.00 34.03 C ATOM 977 OD1 ASP A 60 -11.064 22.254 -16.721 1.00 1.03 O ATOM 978 OD2 ASP A 60 -11.561 20.653 -15.299 1.00 40.21 O ATOM 0 H ASP A 60 -7.183 22.049 -14.176 1.00 51.05 H new ATOM 0 HA ASP A 60 -8.477 19.960 -15.433 1.00 64.23 H new ATOM 0 HB2 ASP A 60 -9.612 21.505 -13.945 1.00 74.53 H new ATOM 0 HB3 ASP A 60 -9.273 22.863 -15.001 1.00 74.53 H new ATOM 983 N LYS A 61 -7.560 22.316 -17.508 1.00 44.05 N ATOM 984 CA LYS A 61 -7.429 22.661 -18.919 1.00 63.52 C ATOM 985 C LYS A 61 -6.334 21.831 -19.583 1.00 32.24 C ATOM 986 O LYS A 61 -6.481 21.390 -20.723 1.00 23.43 O ATOM 987 CB LYS A 61 -7.119 24.151 -19.075 1.00 4.02 C ATOM 988 CG LYS A 61 -7.068 24.614 -20.520 1.00 42.15 C ATOM 989 CD LYS A 61 -7.295 26.112 -20.635 1.00 13.15 C ATOM 990 CE LYS A 61 -8.578 26.425 -21.389 1.00 52.23 C ATOM 991 NZ LYS A 61 -8.601 27.829 -21.886 1.00 61.22 N ATOM 0 H LYS A 61 -7.060 22.939 -16.874 1.00 44.05 H new ATOM 0 HA LYS A 61 -8.377 22.440 -19.410 1.00 63.52 H new ATOM 0 HB2 LYS A 61 -7.876 24.728 -18.544 1.00 4.02 H new ATOM 0 HB3 LYS A 61 -6.162 24.366 -18.599 1.00 4.02 H new ATOM 0 HG2 LYS A 61 -6.100 24.358 -20.951 1.00 42.15 H new ATOM 0 HG3 LYS A 61 -7.825 24.085 -21.099 1.00 42.15 H new ATOM 0 HD2 LYS A 61 -7.341 26.552 -19.639 1.00 13.15 H new ATOM 0 HD3 LYS A 61 -6.449 26.571 -21.147 1.00 13.15 H new ATOM 0 HE2 LYS A 61 -8.681 25.740 -22.231 1.00 52.23 H new ATOM 0 HE3 LYS A 61 -9.434 26.257 -20.735 1.00 52.23 H new ATOM 0 HZ1 LYS A 61 -9.492 28.003 -22.394 1.00 61.22 H new ATOM 0 HZ2 LYS A 61 -8.528 28.483 -21.081 1.00 61.22 H new ATOM 0 HZ3 LYS A 61 -7.799 27.982 -22.530 1.00 61.22 H new ATOM 1005 N PHE A 62 -5.238 21.621 -18.861 1.00 61.24 N ATOM 1006 CA PHE A 62 -4.119 20.843 -19.380 1.00 43.23 C ATOM 1007 C PHE A 62 -4.520 19.386 -19.591 1.00 51.33 C ATOM 1008 O PHE A 62 -4.049 18.730 -20.519 1.00 23.45 O ATOM 1009 CB PHE A 62 -2.928 20.922 -18.423 1.00 2.41 C ATOM 1010 CG PHE A 62 -1.602 21.020 -19.122 1.00 51.31 C ATOM 1011 CD1 PHE A 62 -0.710 19.961 -19.095 1.00 62.43 C ATOM 1012 CD2 PHE A 62 -1.248 22.172 -19.806 1.00 1.33 C ATOM 1013 CE1 PHE A 62 0.511 20.047 -19.738 1.00 12.30 C ATOM 1014 CE2 PHE A 62 -0.029 22.265 -20.450 1.00 60.45 C ATOM 1015 CZ PHE A 62 0.852 21.201 -20.416 1.00 10.34 C ATOM 0 H PHE A 62 -5.101 21.978 -17.916 1.00 61.24 H new ATOM 0 HA PHE A 62 -3.832 21.265 -20.343 1.00 43.23 H new ATOM 0 HB2 PHE A 62 -3.052 21.788 -17.773 1.00 2.41 H new ATOM 0 HB3 PHE A 62 -2.928 20.040 -17.783 1.00 2.41 H new ATOM 0 HD1 PHE A 62 -0.971 19.057 -18.565 1.00 62.43 H new ATOM 0 HD2 PHE A 62 -1.933 23.007 -19.836 1.00 1.33 H new ATOM 0 HE1 PHE A 62 1.197 19.213 -19.710 1.00 12.30 H new ATOM 0 HE2 PHE A 62 0.235 23.169 -20.979 1.00 60.45 H new ATOM 0 HZ PHE A 62 1.805 21.272 -20.919 1.00 10.34 H new ATOM 1025 N ASN A 63 -5.394 18.888 -18.723 1.00 30.23 N ATOM 1026 CA ASN A 63 -5.859 17.508 -18.812 1.00 43.33 C ATOM 1027 C ASN A 63 -6.709 17.301 -20.062 1.00 32.12 C ATOM 1028 O ASN A 63 -6.881 16.175 -20.530 1.00 43.22 O ATOM 1029 CB ASN A 63 -6.665 17.138 -17.566 1.00 22.22 C ATOM 1030 CG ASN A 63 -6.887 15.643 -17.444 1.00 71.44 C ATOM 1031 OD1 ASN A 63 -8.014 15.185 -17.254 1.00 21.24 O ATOM 1032 ND2 ASN A 63 -5.810 14.874 -17.554 1.00 70.45 N ATOM 0 H ASN A 63 -5.795 19.419 -17.950 1.00 30.23 H new ATOM 0 HA ASN A 63 -4.985 16.859 -18.876 1.00 43.33 H new ATOM 0 HB2 ASN A 63 -6.144 17.499 -16.679 1.00 22.22 H new ATOM 0 HB3 ASN A 63 -7.630 17.644 -17.597 1.00 22.22 H new ATOM 0 HD21 ASN A 63 -5.898 13.860 -17.481 1.00 70.45 H new ATOM 0 HD22 ASN A 63 -4.895 15.297 -17.711 1.00 70.45 H new ATOM 1039 N LYS A 64 -7.240 18.395 -20.598 1.00 22.20 N ATOM 1040 CA LYS A 64 -8.071 18.335 -21.794 1.00 51.23 C ATOM 1041 C LYS A 64 -7.211 18.299 -23.053 1.00 41.14 C ATOM 1042 O LYS A 64 -7.549 17.631 -24.030 1.00 74.53 O ATOM 1043 CB LYS A 64 -9.016 19.538 -21.844 1.00 33.31 C ATOM 1044 CG LYS A 64 -10.485 19.161 -21.756 1.00 31.10 C ATOM 1045 CD LYS A 64 -11.270 20.165 -20.929 1.00 1.32 C ATOM 1046 CE LYS A 64 -12.393 19.493 -20.154 1.00 61.01 C ATOM 1047 NZ LYS A 64 -13.119 20.457 -19.282 1.00 34.22 N ATOM 0 H LYS A 64 -7.109 19.334 -20.222 1.00 22.20 H new ATOM 0 HA LYS A 64 -8.660 17.419 -21.751 1.00 51.23 H new ATOM 0 HB2 LYS A 64 -8.773 20.214 -21.024 1.00 33.31 H new ATOM 0 HB3 LYS A 64 -8.845 20.086 -22.771 1.00 33.31 H new ATOM 0 HG2 LYS A 64 -10.908 19.105 -22.759 1.00 31.10 H new ATOM 0 HG3 LYS A 64 -10.581 18.169 -21.314 1.00 31.10 H new ATOM 0 HD2 LYS A 64 -10.599 20.670 -20.234 1.00 1.32 H new ATOM 0 HD3 LYS A 64 -11.686 20.931 -21.584 1.00 1.32 H new ATOM 0 HE2 LYS A 64 -13.094 19.036 -20.853 1.00 61.01 H new ATOM 0 HE3 LYS A 64 -11.982 18.689 -19.543 1.00 61.01 H new ATOM 0 HZ1 LYS A 64 -13.876 19.960 -18.771 1.00 34.22 H new ATOM 0 HZ2 LYS A 64 -12.456 20.874 -18.598 1.00 34.22 H new ATOM 0 HZ3 LYS A 64 -13.533 21.211 -19.867 1.00 34.22 H new ATOM 1061 N LYS A 65 -6.096 19.021 -23.024 1.00 1.04 N ATOM 1062 CA LYS A 65 -5.185 19.070 -24.161 1.00 23.11 C ATOM 1063 C LYS A 65 -4.221 17.888 -24.137 1.00 72.33 C ATOM 1064 O LYS A 65 -3.989 17.244 -25.160 1.00 44.43 O ATOM 1065 CB LYS A 65 -4.398 20.383 -24.154 1.00 72.35 C ATOM 1066 CG LYS A 65 -3.574 20.592 -22.896 1.00 64.52 C ATOM 1067 CD LYS A 65 -3.001 21.997 -22.832 1.00 2.52 C ATOM 1068 CE LYS A 65 -1.577 22.044 -23.365 1.00 0.24 C ATOM 1069 NZ LYS A 65 -1.032 23.430 -23.371 1.00 13.22 N ATOM 0 H LYS A 65 -5.801 19.581 -22.224 1.00 1.04 H new ATOM 0 HA LYS A 65 -5.779 19.014 -25.073 1.00 23.11 H new ATOM 0 HB2 LYS A 65 -3.736 20.404 -25.020 1.00 72.35 H new ATOM 0 HB3 LYS A 65 -5.094 21.215 -24.265 1.00 72.35 H new ATOM 0 HG2 LYS A 65 -4.195 20.411 -22.019 1.00 64.52 H new ATOM 0 HG3 LYS A 65 -2.762 19.865 -22.867 1.00 64.52 H new ATOM 0 HD2 LYS A 65 -3.630 22.674 -23.411 1.00 2.52 H new ATOM 0 HD3 LYS A 65 -3.016 22.351 -21.801 1.00 2.52 H new ATOM 0 HE2 LYS A 65 -0.939 21.406 -22.754 1.00 0.24 H new ATOM 0 HE3 LYS A 65 -1.555 21.641 -24.377 1.00 0.24 H new ATOM 0 HZ1 LYS A 65 -0.124 23.444 -23.879 1.00 13.22 H new ATOM 0 HZ2 LYS A 65 -1.704 24.065 -23.846 1.00 13.22 H new ATOM 0 HZ3 LYS A 65 -0.886 23.750 -22.392 1.00 13.22 H new ATOM 1083 N MET A 66 -3.665 17.607 -22.963 1.00 71.45 N ATOM 1084 CA MET A 66 -2.729 16.499 -22.807 1.00 41.53 C ATOM 1085 C MET A 66 -3.440 15.160 -22.969 1.00 22.55 C ATOM 1086 O MET A 66 -2.798 14.115 -23.080 1.00 5.11 O ATOM 1087 CB MET A 66 -2.049 16.568 -21.439 1.00 22.24 C ATOM 1088 CG MET A 66 -0.936 17.600 -21.364 1.00 3.21 C ATOM 1089 SD MET A 66 0.485 17.165 -22.385 1.00 62.21 S ATOM 1090 CE MET A 66 1.105 18.790 -22.813 1.00 23.21 C ATOM 0 H MET A 66 -3.846 18.130 -22.106 1.00 71.45 H new ATOM 0 HA MET A 66 -1.971 16.583 -23.586 1.00 41.53 H new ATOM 0 HB2 MET A 66 -2.798 16.798 -20.681 1.00 22.24 H new ATOM 0 HB3 MET A 66 -1.641 15.587 -21.196 1.00 22.24 H new ATOM 0 HG2 MET A 66 -1.322 18.569 -21.680 1.00 3.21 H new ATOM 0 HG3 MET A 66 -0.615 17.707 -20.328 1.00 3.21 H new ATOM 0 HE1 MET A 66 1.507 18.771 -23.826 1.00 23.21 H new ATOM 0 HE2 MET A 66 0.293 19.515 -22.759 1.00 23.21 H new ATOM 0 HE3 MET A 66 1.893 19.074 -22.115 1.00 23.21 H new ATOM 1100 N ARG A 67 -4.768 15.197 -22.980 1.00 12.12 N ATOM 1101 CA ARG A 67 -5.566 13.985 -23.126 1.00 5.32 C ATOM 1102 C ARG A 67 -5.167 13.221 -24.385 1.00 74.01 C ATOM 1103 O ARG A 67 -5.347 12.006 -24.468 1.00 2.54 O ATOM 1104 CB ARG A 67 -7.055 14.332 -23.176 1.00 44.12 C ATOM 1105 CG ARG A 67 -7.940 13.160 -23.565 1.00 72.42 C ATOM 1106 CD ARG A 67 -8.335 13.222 -25.032 1.00 43.25 C ATOM 1107 NE ARG A 67 -9.219 14.350 -25.314 1.00 20.12 N ATOM 1108 CZ ARG A 67 -9.909 14.479 -26.442 1.00 2.34 C ATOM 1109 NH1 ARG A 67 -9.817 13.556 -27.388 1.00 73.43 N ATOM 1110 NH2 ARG A 67 -10.693 15.534 -26.624 1.00 3.30 N ATOM 0 H ARG A 67 -5.315 16.053 -22.890 1.00 12.12 H new ATOM 0 HA ARG A 67 -5.378 13.349 -22.261 1.00 5.32 H new ATOM 0 HB2 ARG A 67 -7.366 14.703 -22.199 1.00 44.12 H new ATOM 0 HB3 ARG A 67 -7.207 15.143 -23.888 1.00 44.12 H new ATOM 0 HG2 ARG A 67 -7.415 12.225 -23.368 1.00 72.42 H new ATOM 0 HG3 ARG A 67 -8.837 13.159 -22.945 1.00 72.42 H new ATOM 0 HD2 ARG A 67 -7.438 13.302 -25.646 1.00 43.25 H new ATOM 0 HD3 ARG A 67 -8.831 12.293 -25.313 1.00 43.25 H new ATOM 0 HE ARG A 67 -9.312 15.079 -24.606 1.00 20.12 H new ATOM 0 HH11 ARG A 67 -9.215 12.744 -27.251 1.00 73.43 H new ATOM 0 HH12 ARG A 67 -10.348 13.658 -28.253 1.00 73.43 H new ATOM 0 HH21 ARG A 67 -10.766 16.246 -25.898 1.00 3.30 H new ATOM 0 HH22 ARG A 67 -11.222 15.633 -27.490 1.00 3.30 H new ATOM 1124 N GLU A 68 -4.627 13.942 -25.363 1.00 30.23 N ATOM 1125 CA GLU A 68 -4.205 13.331 -26.618 1.00 32.13 C ATOM 1126 C GLU A 68 -3.219 12.194 -26.365 1.00 72.01 C ATOM 1127 O GLU A 68 -3.481 11.041 -26.711 1.00 14.44 O ATOM 1128 CB GLU A 68 -3.568 14.379 -27.532 1.00 52.32 C ATOM 1129 CG GLU A 68 -4.391 14.686 -28.772 1.00 53.21 C ATOM 1130 CD GLU A 68 -3.634 15.528 -29.781 1.00 74.22 C ATOM 1131 OE1 GLU A 68 -2.395 15.394 -29.853 1.00 43.21 O ATOM 1132 OE2 GLU A 68 -4.281 16.320 -30.498 1.00 61.52 O ATOM 0 H GLU A 68 -4.472 14.949 -25.310 1.00 30.23 H new ATOM 0 HA GLU A 68 -5.088 12.921 -27.108 1.00 32.13 H new ATOM 0 HB2 GLU A 68 -3.420 15.300 -26.967 1.00 52.32 H new ATOM 0 HB3 GLU A 68 -2.582 14.031 -27.838 1.00 52.32 H new ATOM 0 HG2 GLU A 68 -4.697 13.751 -29.241 1.00 53.21 H new ATOM 0 HG3 GLU A 68 -5.302 15.208 -28.479 1.00 53.21 H new ATOM 1139 N HIS A 69 -2.083 12.527 -25.760 1.00 52.14 N ATOM 1140 CA HIS A 69 -1.057 11.535 -25.461 1.00 60.21 C ATOM 1141 C HIS A 69 -1.421 10.736 -24.214 1.00 35.44 C ATOM 1142 O HIS A 69 -0.790 9.725 -23.906 1.00 32.42 O ATOM 1143 CB HIS A 69 0.299 12.215 -25.267 1.00 73.33 C ATOM 1144 CG HIS A 69 0.696 13.096 -26.411 1.00 72.13 C ATOM 1145 ND1 HIS A 69 0.771 12.650 -27.714 1.00 54.00 N ATOM 1146 CD2 HIS A 69 1.039 14.405 -26.443 1.00 24.21 C ATOM 1147 CE1 HIS A 69 1.145 13.646 -28.497 1.00 53.01 C ATOM 1148 NE2 HIS A 69 1.314 14.722 -27.750 1.00 51.34 N ATOM 0 H HIS A 69 -1.850 13.476 -25.467 1.00 52.14 H new ATOM 0 HA HIS A 69 -0.993 10.849 -26.305 1.00 60.21 H new ATOM 0 HB2 HIS A 69 0.271 12.810 -24.354 1.00 73.33 H new ATOM 0 HB3 HIS A 69 1.063 11.450 -25.126 1.00 73.33 H new ATOM 0 HD2 HIS A 69 1.087 15.075 -25.598 1.00 24.21 H new ATOM 0 HE1 HIS A 69 1.288 13.590 -29.566 1.00 53.01 H new ATOM 0 HE2 HIS A 69 1.602 15.640 -28.089 1.00 51.34 H new ATOM 1156 N SER A 70 -2.443 11.196 -23.499 1.00 12.40 N ATOM 1157 CA SER A 70 -2.889 10.527 -22.282 1.00 44.14 C ATOM 1158 C SER A 70 -3.542 9.187 -22.608 1.00 2.24 C ATOM 1159 O SER A 70 -3.831 8.393 -21.713 1.00 50.04 O ATOM 1160 CB SER A 70 -3.872 11.415 -21.518 1.00 35.22 C ATOM 1161 OG SER A 70 -5.212 11.111 -21.868 1.00 24.23 O ATOM 0 H SER A 70 -2.978 12.030 -23.742 1.00 12.40 H new ATOM 0 HA SER A 70 -2.016 10.343 -21.656 1.00 44.14 H new ATOM 0 HB2 SER A 70 -3.733 11.278 -20.446 1.00 35.22 H new ATOM 0 HB3 SER A 70 -3.665 12.463 -21.735 1.00 35.22 H new ATOM 0 HG SER A 70 -5.358 11.318 -22.815 1.00 24.23 H new ATOM 1167 N GLU A 71 -3.771 8.944 -23.894 1.00 41.54 N ATOM 1168 CA GLU A 71 -4.391 7.701 -24.338 1.00 2.30 C ATOM 1169 C GLU A 71 -3.500 6.505 -24.017 1.00 32.52 C ATOM 1170 O GLU A 71 -3.977 5.468 -23.555 1.00 34.43 O ATOM 1171 CB GLU A 71 -4.671 7.753 -25.841 1.00 53.42 C ATOM 1172 CG GLU A 71 -5.729 6.763 -26.298 1.00 14.14 C ATOM 1173 CD GLU A 71 -6.873 7.430 -27.037 1.00 43.33 C ATOM 1174 OE1 GLU A 71 -6.676 7.814 -28.209 1.00 52.43 O ATOM 1175 OE2 GLU A 71 -7.963 7.569 -26.445 1.00 30.33 O ATOM 0 H GLU A 71 -3.537 9.591 -24.647 1.00 41.54 H new ATOM 0 HA GLU A 71 -5.334 7.584 -23.804 1.00 2.30 H new ATOM 0 HB2 GLU A 71 -4.989 8.761 -26.108 1.00 53.42 H new ATOM 0 HB3 GLU A 71 -3.745 7.557 -26.381 1.00 53.42 H new ATOM 0 HG2 GLU A 71 -5.268 6.018 -26.947 1.00 14.14 H new ATOM 0 HG3 GLU A 71 -6.122 6.232 -25.431 1.00 14.14 H new ATOM 1182 N HIS A 72 -2.203 6.656 -24.266 1.00 32.33 N ATOM 1183 CA HIS A 72 -1.245 5.588 -24.003 1.00 62.14 C ATOM 1184 C HIS A 72 -0.759 5.637 -22.558 1.00 43.20 C ATOM 1185 O HIS A 72 -0.273 4.641 -22.021 1.00 40.24 O ATOM 1186 CB HIS A 72 -0.055 5.696 -24.958 1.00 32.22 C ATOM 1187 CG HIS A 72 -0.344 5.184 -26.335 1.00 72.13 C ATOM 1188 ND1 HIS A 72 -0.772 3.897 -26.586 1.00 5.02 N ATOM 1189 CD2 HIS A 72 -0.267 5.794 -27.541 1.00 2.40 C ATOM 1190 CE1 HIS A 72 -0.943 3.737 -27.886 1.00 3.51 C ATOM 1191 NE2 HIS A 72 -0.644 4.874 -28.488 1.00 45.32 N ATOM 0 H HIS A 72 -1.791 7.507 -24.649 1.00 32.33 H new ATOM 0 HA HIS A 72 -1.747 4.634 -24.166 1.00 62.14 H new ATOM 0 HB2 HIS A 72 0.253 6.739 -25.025 1.00 32.22 H new ATOM 0 HB3 HIS A 72 0.786 5.141 -24.542 1.00 32.22 H new ATOM 0 HD2 HIS A 72 0.035 6.815 -27.724 1.00 2.40 H new ATOM 0 HE1 HIS A 72 -1.271 2.831 -28.374 1.00 3.51 H new ATOM 0 HE2 HIS A 72 -0.686 5.041 -29.493 1.00 45.32 H new ATOM 1199 N PHE A 73 -0.892 6.803 -21.933 1.00 60.44 N ATOM 1200 CA PHE A 73 -0.465 6.982 -20.551 1.00 4.22 C ATOM 1201 C PHE A 73 -1.509 6.433 -19.583 1.00 63.31 C ATOM 1202 O PHE A 73 -1.172 5.802 -18.581 1.00 33.13 O ATOM 1203 CB PHE A 73 -0.213 8.463 -20.261 1.00 15.44 C ATOM 1204 CG PHE A 73 0.911 9.050 -21.066 1.00 75.20 C ATOM 1205 CD1 PHE A 73 0.809 10.327 -21.594 1.00 62.43 C ATOM 1206 CD2 PHE A 73 2.068 8.324 -21.295 1.00 62.23 C ATOM 1207 CE1 PHE A 73 1.842 10.869 -22.336 1.00 11.54 C ATOM 1208 CE2 PHE A 73 3.104 8.862 -22.035 1.00 62.54 C ATOM 1209 CZ PHE A 73 2.990 10.135 -22.557 1.00 45.32 C ATOM 0 H PHE A 73 -1.292 7.637 -22.362 1.00 60.44 H new ATOM 0 HA PHE A 73 0.463 6.428 -20.409 1.00 4.22 H new ATOM 0 HB2 PHE A 73 -1.125 9.025 -20.463 1.00 15.44 H new ATOM 0 HB3 PHE A 73 0.008 8.585 -19.201 1.00 15.44 H new ATOM 0 HD1 PHE A 73 -0.087 10.905 -21.424 1.00 62.43 H new ATOM 0 HD2 PHE A 73 2.162 7.327 -20.891 1.00 62.23 H new ATOM 0 HE1 PHE A 73 1.751 11.866 -22.742 1.00 11.54 H new ATOM 0 HE2 PHE A 73 4.002 8.287 -22.205 1.00 62.54 H new ATOM 0 HZ PHE A 73 3.798 10.556 -23.137 1.00 45.32 H new ATOM 1219 N LYS A 74 -2.778 6.677 -19.890 1.00 50.43 N ATOM 1220 CA LYS A 74 -3.873 6.208 -19.050 1.00 73.31 C ATOM 1221 C LYS A 74 -3.769 4.705 -18.810 1.00 10.00 C ATOM 1222 O LYS A 74 -4.306 4.184 -17.833 1.00 13.51 O ATOM 1223 CB LYS A 74 -5.219 6.539 -19.699 1.00 12.12 C ATOM 1224 CG LYS A 74 -6.403 5.873 -19.019 1.00 24.23 C ATOM 1225 CD LYS A 74 -7.665 6.708 -19.152 1.00 30.11 C ATOM 1226 CE LYS A 74 -8.318 6.950 -17.800 1.00 11.52 C ATOM 1227 NZ LYS A 74 -9.795 7.101 -17.916 1.00 71.51 N ATOM 0 H LYS A 74 -3.074 7.198 -20.716 1.00 50.43 H new ATOM 0 HA LYS A 74 -3.805 6.718 -18.089 1.00 73.31 H new ATOM 0 HB2 LYS A 74 -5.363 7.619 -19.685 1.00 12.12 H new ATOM 0 HB3 LYS A 74 -5.193 6.234 -20.745 1.00 12.12 H new ATOM 0 HG2 LYS A 74 -6.569 4.889 -19.457 1.00 24.23 H new ATOM 0 HG3 LYS A 74 -6.178 5.718 -17.964 1.00 24.23 H new ATOM 0 HD2 LYS A 74 -7.423 7.664 -19.617 1.00 30.11 H new ATOM 0 HD3 LYS A 74 -8.369 6.202 -19.812 1.00 30.11 H new ATOM 0 HE2 LYS A 74 -8.089 6.119 -17.132 1.00 11.52 H new ATOM 0 HE3 LYS A 74 -7.896 7.848 -17.348 1.00 11.52 H new ATOM 0 HZ1 LYS A 74 -10.202 7.264 -16.973 1.00 71.51 H new ATOM 0 HZ2 LYS A 74 -10.014 7.909 -18.533 1.00 71.51 H new ATOM 0 HZ3 LYS A 74 -10.202 6.235 -18.323 1.00 71.51 H new ATOM 1241 N ALA A 75 -3.073 4.014 -19.707 1.00 33.11 N ATOM 1242 CA ALA A 75 -2.896 2.572 -19.590 1.00 61.20 C ATOM 1243 C ALA A 75 -1.746 2.235 -18.647 1.00 21.20 C ATOM 1244 O ALA A 75 -1.754 1.195 -17.988 1.00 64.43 O ATOM 1245 CB ALA A 75 -2.654 1.957 -20.961 1.00 35.03 C ATOM 0 H ALA A 75 -2.623 4.430 -20.522 1.00 33.11 H new ATOM 0 HA ALA A 75 -3.810 2.151 -19.171 1.00 61.20 H new ATOM 0 HB1 ALA A 75 -2.523 0.880 -20.859 1.00 35.03 H new ATOM 0 HB2 ALA A 75 -3.509 2.159 -21.607 1.00 35.03 H new ATOM 0 HB3 ALA A 75 -1.756 2.391 -21.401 1.00 35.03 H new ATOM 1251 N LYS A 76 -0.757 3.121 -18.587 1.00 33.51 N ATOM 1252 CA LYS A 76 0.401 2.918 -17.724 1.00 55.10 C ATOM 1253 C LYS A 76 -0.034 2.602 -16.296 1.00 65.54 C ATOM 1254 O LYS A 76 0.589 1.788 -15.614 1.00 32.51 O ATOM 1255 CB LYS A 76 1.293 4.161 -17.733 1.00 52.43 C ATOM 1256 CG LYS A 76 2.681 3.918 -17.167 1.00 50.00 C ATOM 1257 CD LYS A 76 3.651 3.463 -18.245 1.00 33.55 C ATOM 1258 CE LYS A 76 4.011 4.600 -19.187 1.00 52.45 C ATOM 1259 NZ LYS A 76 3.997 4.166 -20.612 1.00 31.22 N ATOM 0 H LYS A 76 -0.734 3.987 -19.126 1.00 33.51 H new ATOM 0 HA LYS A 76 0.966 2.070 -18.109 1.00 55.10 H new ATOM 0 HB2 LYS A 76 1.386 4.524 -18.757 1.00 52.43 H new ATOM 0 HB3 LYS A 76 0.808 4.950 -17.158 1.00 52.43 H new ATOM 0 HG2 LYS A 76 3.052 4.833 -16.705 1.00 50.00 H new ATOM 0 HG3 LYS A 76 2.628 3.164 -16.382 1.00 50.00 H new ATOM 0 HD2 LYS A 76 4.557 3.074 -17.780 1.00 33.55 H new ATOM 0 HD3 LYS A 76 3.208 2.645 -18.813 1.00 33.55 H new ATOM 0 HE2 LYS A 76 3.307 5.421 -19.051 1.00 52.45 H new ATOM 0 HE3 LYS A 76 5.000 4.982 -18.934 1.00 52.45 H new ATOM 0 HZ1 LYS A 76 4.248 4.970 -21.222 1.00 31.22 H new ATOM 0 HZ2 LYS A 76 4.687 3.400 -20.748 1.00 31.22 H new ATOM 0 HZ3 LYS A 76 3.047 3.825 -20.862 1.00 31.22 H new ATOM 1273 N PHE A 77 -1.105 3.249 -15.851 1.00 74.24 N ATOM 1274 CA PHE A 77 -1.623 3.036 -14.505 1.00 20.51 C ATOM 1275 C PHE A 77 -1.661 1.548 -14.166 1.00 53.22 C ATOM 1276 O PHE A 77 -1.370 1.150 -13.039 1.00 32.22 O ATOM 1277 CB PHE A 77 -3.024 3.636 -14.373 1.00 1.41 C ATOM 1278 CG PHE A 77 -3.100 4.771 -13.391 1.00 63.50 C ATOM 1279 CD1 PHE A 77 -3.694 5.971 -13.744 1.00 14.22 C ATOM 1280 CD2 PHE A 77 -2.576 4.636 -12.115 1.00 62.14 C ATOM 1281 CE1 PHE A 77 -3.766 7.017 -12.842 1.00 71.35 C ATOM 1282 CE2 PHE A 77 -2.645 5.678 -11.210 1.00 30.32 C ATOM 1283 CZ PHE A 77 -3.240 6.870 -11.574 1.00 63.11 C ATOM 0 H PHE A 77 -1.632 3.926 -16.403 1.00 74.24 H new ATOM 0 HA PHE A 77 -0.955 3.534 -13.803 1.00 20.51 H new ATOM 0 HB2 PHE A 77 -3.353 3.989 -15.350 1.00 1.41 H new ATOM 0 HB3 PHE A 77 -3.718 2.854 -14.066 1.00 1.41 H new ATOM 0 HD1 PHE A 77 -4.106 6.092 -14.735 1.00 14.22 H new ATOM 0 HD2 PHE A 77 -2.109 3.707 -11.825 1.00 62.14 H new ATOM 0 HE1 PHE A 77 -4.233 7.947 -13.129 1.00 71.35 H new ATOM 0 HE2 PHE A 77 -2.234 5.560 -10.218 1.00 30.32 H new ATOM 0 HZ PHE A 77 -3.294 7.686 -10.868 1.00 63.11 H new ATOM 1293 N ALA A 78 -2.023 0.732 -15.151 1.00 13.41 N ATOM 1294 CA ALA A 78 -2.099 -0.711 -14.959 1.00 3.53 C ATOM 1295 C ALA A 78 -0.738 -1.286 -14.581 1.00 40.10 C ATOM 1296 O ALA A 78 -0.648 -2.211 -13.775 1.00 2.03 O ATOM 1297 CB ALA A 78 -2.628 -1.384 -16.217 1.00 2.55 C ATOM 0 H ALA A 78 -2.268 1.046 -16.090 1.00 13.41 H new ATOM 0 HA ALA A 78 -2.789 -0.908 -14.138 1.00 3.53 H new ATOM 0 HB1 ALA A 78 -2.679 -2.461 -16.059 1.00 2.55 H new ATOM 0 HB2 ALA A 78 -3.624 -1.002 -16.443 1.00 2.55 H new ATOM 0 HB3 ALA A 78 -1.960 -1.171 -17.052 1.00 2.55 H new ATOM 1303 N GLU A 79 0.318 -0.732 -15.170 1.00 34.42 N ATOM 1304 CA GLU A 79 1.674 -1.193 -14.895 1.00 74.00 C ATOM 1305 C GLU A 79 2.275 -0.439 -13.712 1.00 70.42 C ATOM 1306 O GLU A 79 3.190 -0.930 -13.049 1.00 34.11 O ATOM 1307 CB GLU A 79 2.557 -1.013 -16.131 1.00 64.21 C ATOM 1308 CG GLU A 79 4.045 -1.017 -15.821 1.00 51.44 C ATOM 1309 CD GLU A 79 4.900 -1.145 -17.067 1.00 51.22 C ATOM 1310 OE1 GLU A 79 6.083 -1.522 -16.937 1.00 65.04 O ATOM 1311 OE2 GLU A 79 4.386 -0.868 -18.171 1.00 62.01 O ATOM 0 H GLU A 79 0.260 0.035 -15.840 1.00 34.42 H new ATOM 0 HA GLU A 79 1.627 -2.252 -14.642 1.00 74.00 H new ATOM 0 HB2 GLU A 79 2.340 -1.811 -16.842 1.00 64.21 H new ATOM 0 HB3 GLU A 79 2.298 -0.073 -16.618 1.00 64.21 H new ATOM 0 HG2 GLU A 79 4.306 -0.097 -15.299 1.00 51.44 H new ATOM 0 HG3 GLU A 79 4.269 -1.842 -15.145 1.00 51.44 H new ATOM 1318 N LEU A 80 1.756 0.756 -13.454 1.00 74.32 N ATOM 1319 CA LEU A 80 2.241 1.579 -12.352 1.00 33.12 C ATOM 1320 C LEU A 80 2.193 0.809 -11.036 1.00 11.54 C ATOM 1321 O LEU A 80 3.164 0.794 -10.278 1.00 33.53 O ATOM 1322 CB LEU A 80 1.408 2.857 -12.239 1.00 40.10 C ATOM 1323 CG LEU A 80 1.540 3.848 -13.396 1.00 13.20 C ATOM 1324 CD1 LEU A 80 0.963 5.201 -13.008 1.00 44.12 C ATOM 1325 CD2 LEU A 80 2.996 3.987 -13.816 1.00 53.20 C ATOM 0 H LEU A 80 0.999 1.177 -13.993 1.00 74.32 H new ATOM 0 HA LEU A 80 3.278 1.846 -12.558 1.00 33.12 H new ATOM 0 HB2 LEU A 80 0.359 2.576 -12.145 1.00 40.10 H new ATOM 0 HB3 LEU A 80 1.685 3.367 -11.316 1.00 40.10 H new ATOM 0 HG LEU A 80 0.974 3.464 -14.245 1.00 13.20 H new ATOM 0 HD11 LEU A 80 1.066 5.893 -13.843 1.00 44.12 H new ATOM 0 HD12 LEU A 80 -0.092 5.088 -12.758 1.00 44.12 H new ATOM 0 HD13 LEU A 80 1.501 5.592 -12.145 1.00 44.12 H new ATOM 0 HD21 LEU A 80 3.071 4.696 -14.640 1.00 53.20 H new ATOM 0 HD22 LEU A 80 3.585 4.347 -12.973 1.00 53.20 H new ATOM 0 HD23 LEU A 80 3.377 3.017 -14.136 1.00 53.20 H new ATOM 1337 N LEU A 81 1.059 0.171 -10.771 1.00 35.14 N ATOM 1338 CA LEU A 81 0.884 -0.603 -9.547 1.00 24.44 C ATOM 1339 C LEU A 81 1.621 -1.936 -9.636 1.00 4.14 C ATOM 1340 O LEU A 81 1.876 -2.583 -8.621 1.00 25.32 O ATOM 1341 CB LEU A 81 -0.602 -0.847 -9.281 1.00 13.42 C ATOM 1342 CG LEU A 81 -1.329 -1.733 -10.293 1.00 22.32 C ATOM 1343 CD1 LEU A 81 -1.720 -3.058 -9.657 1.00 70.43 C ATOM 1344 CD2 LEU A 81 -2.556 -1.020 -10.843 1.00 23.55 C ATOM 0 H LEU A 81 0.246 0.174 -11.387 1.00 35.14 H new ATOM 0 HA LEU A 81 1.305 -0.029 -8.721 1.00 24.44 H new ATOM 0 HB2 LEU A 81 -0.704 -1.298 -8.294 1.00 13.42 H new ATOM 0 HB3 LEU A 81 -1.107 0.118 -9.244 1.00 13.42 H new ATOM 0 HG LEU A 81 -0.651 -1.937 -11.122 1.00 22.32 H new ATOM 0 HD11 LEU A 81 -2.236 -3.676 -10.392 1.00 70.43 H new ATOM 0 HD12 LEU A 81 -0.824 -3.575 -9.313 1.00 70.43 H new ATOM 0 HD13 LEU A 81 -2.380 -2.874 -8.809 1.00 70.43 H new ATOM 0 HD21 LEU A 81 -3.061 -1.666 -11.562 1.00 23.55 H new ATOM 0 HD22 LEU A 81 -3.237 -0.785 -10.025 1.00 23.55 H new ATOM 0 HD23 LEU A 81 -2.250 -0.098 -11.337 1.00 23.55 H new ATOM 1356 N GLU A 82 1.962 -2.338 -10.856 1.00 41.52 N ATOM 1357 CA GLU A 82 2.671 -3.592 -11.076 1.00 64.45 C ATOM 1358 C GLU A 82 4.178 -3.400 -10.925 1.00 54.23 C ATOM 1359 O GLU A 82 4.907 -4.346 -10.630 1.00 4.31 O ATOM 1360 CB GLU A 82 2.354 -4.146 -12.467 1.00 50.02 C ATOM 1361 CG GLU A 82 3.144 -5.395 -12.820 1.00 44.21 C ATOM 1362 CD GLU A 82 2.951 -5.819 -14.263 1.00 44.11 C ATOM 1363 OE1 GLU A 82 3.714 -5.340 -15.129 1.00 20.14 O ATOM 1364 OE2 GLU A 82 2.038 -6.629 -14.527 1.00 43.30 O ATOM 0 H GLU A 82 1.759 -1.813 -11.707 1.00 41.52 H new ATOM 0 HA GLU A 82 2.336 -4.305 -10.323 1.00 64.45 H new ATOM 0 HB2 GLU A 82 1.289 -4.372 -12.525 1.00 50.02 H new ATOM 0 HB3 GLU A 82 2.557 -3.375 -13.211 1.00 50.02 H new ATOM 0 HG2 GLU A 82 4.203 -5.214 -12.637 1.00 44.21 H new ATOM 0 HG3 GLU A 82 2.841 -6.210 -12.162 1.00 44.21 H new ATOM 1371 N GLN A 83 4.634 -2.169 -11.131 1.00 4.33 N ATOM 1372 CA GLN A 83 6.053 -1.852 -11.019 1.00 23.34 C ATOM 1373 C GLN A 83 6.631 -2.394 -9.715 1.00 74.22 C ATOM 1374 O GLN A 83 7.584 -3.172 -9.725 1.00 5.35 O ATOM 1375 CB GLN A 83 6.268 -0.340 -11.095 1.00 52.32 C ATOM 1376 CG GLN A 83 7.665 0.055 -11.546 1.00 21.34 C ATOM 1377 CD GLN A 83 8.598 0.329 -10.382 1.00 55.13 C ATOM 1378 OE1 GLN A 83 9.397 -0.525 -9.997 1.00 52.05 O ATOM 1379 NE2 GLN A 83 8.500 1.526 -9.815 1.00 25.20 N ATOM 0 H GLN A 83 4.042 -1.375 -11.376 1.00 4.33 H new ATOM 0 HA GLN A 83 6.572 -2.328 -11.851 1.00 23.34 H new ATOM 0 HB2 GLN A 83 5.539 0.088 -11.783 1.00 52.32 H new ATOM 0 HB3 GLN A 83 6.075 0.096 -10.115 1.00 52.32 H new ATOM 0 HG2 GLN A 83 8.083 -0.741 -12.162 1.00 21.34 H new ATOM 0 HG3 GLN A 83 7.602 0.944 -12.174 1.00 21.34 H new ATOM 0 HE21 GLN A 83 7.823 2.203 -10.167 1.00 25.20 H new ATOM 0 HE22 GLN A 83 9.101 1.768 -9.028 1.00 25.20 H new ATOM 1388 N GLN A 84 6.046 -1.978 -8.597 1.00 10.15 N ATOM 1389 CA GLN A 84 6.504 -2.421 -7.285 1.00 72.41 C ATOM 1390 C GLN A 84 5.907 -3.779 -6.931 1.00 22.52 C ATOM 1391 O GLN A 84 6.622 -4.698 -6.529 1.00 31.00 O ATOM 1392 CB GLN A 84 6.131 -1.393 -6.216 1.00 55.44 C ATOM 1393 CG GLN A 84 6.323 -1.895 -4.795 1.00 4.13 C ATOM 1394 CD GLN A 84 5.013 -2.233 -4.112 1.00 74.45 C ATOM 1395 OE1 GLN A 84 3.985 -1.607 -4.372 1.00 13.14 O ATOM 1396 NE2 GLN A 84 5.042 -3.229 -3.234 1.00 73.25 N ATOM 0 H GLN A 84 5.254 -1.335 -8.573 1.00 10.15 H new ATOM 0 HA GLN A 84 7.589 -2.519 -7.321 1.00 72.41 H new ATOM 0 HB2 GLN A 84 6.734 -0.496 -6.360 1.00 55.44 H new ATOM 0 HB3 GLN A 84 5.089 -1.102 -6.352 1.00 55.44 H new ATOM 0 HG2 GLN A 84 6.959 -2.780 -4.810 1.00 4.13 H new ATOM 0 HG3 GLN A 84 6.846 -1.136 -4.213 1.00 4.13 H new ATOM 0 HE21 GLN A 84 5.916 -3.721 -3.049 1.00 73.25 H new ATOM 0 HE22 GLN A 84 4.190 -3.502 -2.745 1.00 73.25 H new ATOM 1405 N LYS A 85 4.593 -3.900 -7.082 1.00 33.21 N ATOM 1406 CA LYS A 85 3.898 -5.146 -6.779 1.00 64.21 C ATOM 1407 C LYS A 85 4.628 -6.338 -7.391 1.00 12.01 C ATOM 1408 O LYS A 85 5.011 -7.271 -6.687 1.00 4.23 O ATOM 1409 CB LYS A 85 2.461 -5.092 -7.300 1.00 75.41 C ATOM 1410 CG LYS A 85 1.657 -6.345 -6.997 1.00 54.02 C ATOM 1411 CD LYS A 85 0.170 -6.120 -7.217 1.00 30.20 C ATOM 1412 CE LYS A 85 -0.667 -7.094 -6.402 1.00 74.24 C ATOM 1413 NZ LYS A 85 -1.123 -8.253 -7.220 1.00 1.51 N ATOM 0 H LYS A 85 3.987 -3.149 -7.413 1.00 33.21 H new ATOM 0 HA LYS A 85 3.880 -5.270 -5.696 1.00 64.21 H new ATOM 0 HB2 LYS A 85 1.956 -4.231 -6.861 1.00 75.41 H new ATOM 0 HB3 LYS A 85 2.480 -4.934 -8.378 1.00 75.41 H new ATOM 0 HG2 LYS A 85 2.000 -7.161 -7.632 1.00 54.02 H new ATOM 0 HG3 LYS A 85 1.831 -6.650 -5.965 1.00 54.02 H new ATOM 0 HD2 LYS A 85 -0.089 -5.097 -6.942 1.00 30.20 H new ATOM 0 HD3 LYS A 85 -0.064 -6.235 -8.275 1.00 30.20 H new ATOM 0 HE2 LYS A 85 -0.083 -7.454 -5.555 1.00 74.24 H new ATOM 0 HE3 LYS A 85 -1.534 -6.574 -5.993 1.00 74.24 H new ATOM 0 HZ1 LYS A 85 -1.690 -8.894 -6.629 1.00 1.51 H new ATOM 0 HZ2 LYS A 85 -1.702 -7.911 -8.014 1.00 1.51 H new ATOM 0 HZ3 LYS A 85 -0.296 -8.764 -7.589 1.00 1.51 H new