USER MOD reduce.3.24.130724 H: found=0, std=0, add=707, rem=0, adj=14 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 83 GLN : amide:sc= -0.743 X(o=-4.3,f=-3.9) USER MOD Set 1.2: A 84 GLN : amide:sc= -3.52 K(o=-4.3,f=-6.9!) USER MOD Set 2.1: A 26 GLN : amide:sc= -0.254 X(o=-0.25,f=-0.34) USER MOD Set 2.2: A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 1 MET CE :methyl -173:sc= -0.425 (180deg=-0.101) USER MOD Set 3.2: A 5 TYR OH : rot 180:sc= -0.0808 USER MOD Single : A 1 MET N :NH3+ 153:sc= 0.955 (180deg=-0.278) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.0814 USER MOD Single : A 4 THR OG1 : rot 96:sc= 0.741 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+ -165:sc= 0.515 (180deg=0.396) USER MOD Single : A 23 MET CE :methyl -156:sc= -0.643 (180deg=-2.42) USER MOD Single : A 27 ASN : amide:sc= -0.105 X(o=-0.1,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0.0121 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS :FLIP no HD1:sc= -1.79 F(o=-2.9,f=-1.8) USER MOD Single : A 48 TYR OH : rot 30:sc= -0.0729 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=-0.096) USER MOD Single : A 58 HIS : no HD1:sc= -0.503 X(o=-0.5,f=-0.65) USER MOD Single : A 59 THR OG1 : rot 38:sc= -1.44 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -3.51 K(o=-3.5,f=-6.9!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl -142:sc= -0.124 (180deg=-0.676) USER MOD Single : A 69 HIS : no HD1:sc= -0.17 X(o=-0.17,f=-0.053) USER MOD Single : A 70 SER OG : rot -38:sc= 0.701 USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=-0.018) 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 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.019 -1.947 -3.147 1.00 71.34 N ATOM 2 CA MET A 1 1.245 -1.500 -3.722 1.00 33.33 C ATOM 3 C MET A 1 1.238 0.009 -3.941 1.00 43.22 C ATOM 4 O MET A 1 1.217 0.480 -5.078 1.00 15.42 O ATOM 5 CB MET A 1 1.510 -2.219 -5.046 1.00 2.20 C ATOM 6 CG MET A 1 0.310 -2.237 -5.979 1.00 20.13 C ATOM 7 SD MET A 1 -0.454 -3.866 -6.095 1.00 53.13 S ATOM 8 CE MET A 1 -2.190 -3.424 -6.128 1.00 42.03 C ATOM 0 H1 MET A 1 -0.192 -2.937 -3.416 1.00 71.34 H new ATOM 0 H2 MET A 1 0.026 -1.873 -2.111 1.00 71.34 H new ATOM 0 H3 MET A 1 -0.793 -1.351 -3.504 1.00 71.34 H new ATOM 0 HA MET A 1 2.042 -1.744 -3.020 1.00 33.33 H new ATOM 0 HB2 MET A 1 2.346 -1.735 -5.552 1.00 2.20 H new ATOM 0 HB3 MET A 1 1.814 -3.245 -4.838 1.00 2.20 H new ATOM 0 HG2 MET A 1 -0.429 -1.517 -5.628 1.00 20.13 H new ATOM 0 HG3 MET A 1 0.622 -1.915 -6.972 1.00 20.13 H new ATOM 0 HE1 MET A 1 -2.797 -4.328 -6.073 1.00 42.03 H new ATOM 0 HE2 MET A 1 -2.418 -2.781 -5.278 1.00 42.03 H new ATOM 0 HE3 MET A 1 -2.413 -2.893 -7.054 1.00 42.03 H new ATOM 18 N ALA A 2 1.257 0.762 -2.846 1.00 41.11 N ATOM 19 CA ALA A 2 1.255 2.218 -2.920 1.00 22.23 C ATOM 20 C ALA A 2 2.485 2.732 -3.661 1.00 31.42 C ATOM 21 O ALA A 2 2.513 3.873 -4.123 1.00 73.45 O ATOM 22 CB ALA A 2 1.190 2.817 -1.523 1.00 20.24 C ATOM 0 H ALA A 2 1.274 0.388 -1.897 1.00 41.11 H new ATOM 0 HA ALA A 2 0.371 2.528 -3.478 1.00 22.23 H new ATOM 0 HB1 ALA A 2 1.189 3.905 -1.593 1.00 20.24 H new ATOM 0 HB2 ALA A 2 0.278 2.485 -1.027 1.00 20.24 H new ATOM 0 HB3 ALA A 2 2.056 2.491 -0.947 1.00 20.24 H new ATOM 28 N THR A 3 3.502 1.883 -3.770 1.00 61.41 N ATOM 29 CA THR A 3 4.735 2.251 -4.453 1.00 45.42 C ATOM 30 C THR A 3 4.491 2.488 -5.939 1.00 64.13 C ATOM 31 O THR A 3 4.811 3.552 -6.471 1.00 21.14 O ATOM 32 CB THR A 3 5.815 1.165 -4.288 1.00 44.44 C ATOM 33 OG1 THR A 3 5.200 -0.121 -4.155 1.00 43.21 O ATOM 34 CG2 THR A 3 6.684 1.446 -3.072 1.00 1.33 C ATOM 0 H THR A 3 3.495 0.935 -3.393 1.00 61.41 H new ATOM 0 HA THR A 3 5.087 3.175 -3.994 1.00 45.42 H new ATOM 0 HB THR A 3 6.447 1.175 -5.176 1.00 44.44 H new ATOM 0 HG1 THR A 3 5.893 -0.806 -4.052 1.00 43.21 H new ATOM 0 HG21 THR A 3 7.439 0.666 -2.976 1.00 1.33 H new ATOM 0 HG22 THR A 3 7.174 2.412 -3.190 1.00 1.33 H new ATOM 0 HG23 THR A 3 6.063 1.461 -2.177 1.00 1.33 H new ATOM 42 N THR A 4 3.922 1.489 -6.607 1.00 51.21 N ATOM 43 CA THR A 4 3.635 1.589 -8.033 1.00 21.55 C ATOM 44 C THR A 4 2.942 2.905 -8.364 1.00 12.15 C ATOM 45 O THR A 4 3.265 3.555 -9.358 1.00 3.53 O ATOM 46 CB THR A 4 2.751 0.421 -8.510 1.00 53.43 C ATOM 47 OG1 THR A 4 1.429 0.557 -7.976 1.00 3.35 O ATOM 48 CG2 THR A 4 3.341 -0.914 -8.084 1.00 73.41 C ATOM 0 H THR A 4 3.651 0.602 -6.183 1.00 51.21 H new ATOM 0 HA THR A 4 4.592 1.547 -8.552 1.00 21.55 H new ATOM 0 HB THR A 4 2.707 0.449 -9.599 1.00 53.43 H new ATOM 0 HG1 THR A 4 0.855 1.001 -8.634 1.00 3.35 H new ATOM 0 HG21 THR A 4 2.699 -1.723 -8.432 1.00 73.41 H new ATOM 0 HG22 THR A 4 4.335 -1.027 -8.517 1.00 73.41 H new ATOM 0 HG23 THR A 4 3.412 -0.950 -6.997 1.00 73.41 H new ATOM 56 N TYR A 5 1.988 3.293 -7.525 1.00 32.04 N ATOM 57 CA TYR A 5 1.247 4.532 -7.730 1.00 3.25 C ATOM 58 C TYR A 5 2.058 5.736 -7.258 1.00 60.42 C ATOM 59 O TYR A 5 1.978 6.817 -7.840 1.00 23.02 O ATOM 60 CB TYR A 5 -0.089 4.481 -6.987 1.00 51.10 C ATOM 61 CG TYR A 5 -0.807 3.157 -7.122 1.00 44.11 C ATOM 62 CD1 TYR A 5 -1.388 2.544 -6.019 1.00 15.40 C ATOM 63 CD2 TYR A 5 -0.902 2.518 -8.352 1.00 41.32 C ATOM 64 CE1 TYR A 5 -2.045 1.334 -6.137 1.00 45.33 C ATOM 65 CE2 TYR A 5 -1.557 1.309 -8.480 1.00 73.02 C ATOM 66 CZ TYR A 5 -2.127 0.721 -7.370 1.00 24.10 C ATOM 67 OH TYR A 5 -2.779 -0.484 -7.493 1.00 71.41 O ATOM 0 H TYR A 5 1.710 2.767 -6.696 1.00 32.04 H new ATOM 0 HA TYR A 5 1.057 4.640 -8.798 1.00 3.25 H new ATOM 0 HB2 TYR A 5 0.085 4.685 -5.930 1.00 51.10 H new ATOM 0 HB3 TYR A 5 -0.735 5.275 -7.363 1.00 51.10 H new ATOM 0 HD1 TYR A 5 -1.325 3.021 -5.052 1.00 15.40 H new ATOM 0 HD2 TYR A 5 -0.456 2.975 -9.223 1.00 41.32 H new ATOM 0 HE1 TYR A 5 -2.491 0.871 -5.269 1.00 45.33 H new ATOM 0 HE2 TYR A 5 -1.623 0.826 -9.444 1.00 73.02 H new ATOM 0 HH TYR A 5 -2.747 -0.779 -8.427 1.00 71.41 H new ATOM 77 N GLU A 6 2.838 5.538 -6.200 1.00 65.54 N ATOM 78 CA GLU A 6 3.664 6.606 -5.650 1.00 41.23 C ATOM 79 C GLU A 6 4.788 6.977 -6.614 1.00 73.32 C ATOM 80 O GLU A 6 5.357 8.064 -6.530 1.00 65.00 O ATOM 81 CB GLU A 6 4.252 6.184 -4.302 1.00 42.03 C ATOM 82 CG GLU A 6 5.184 7.219 -3.694 1.00 62.51 C ATOM 83 CD GLU A 6 6.636 6.780 -3.716 1.00 12.51 C ATOM 84 OE1 GLU A 6 6.899 5.587 -3.456 1.00 53.51 O ATOM 85 OE2 GLU A 6 7.508 7.630 -3.992 1.00 63.23 O ATOM 0 H GLU A 6 2.915 4.648 -5.707 1.00 65.54 H new ATOM 0 HA GLU A 6 3.031 7.481 -5.504 1.00 41.23 H new ATOM 0 HB2 GLU A 6 3.437 5.987 -3.605 1.00 42.03 H new ATOM 0 HB3 GLU A 6 4.796 5.248 -4.429 1.00 42.03 H new ATOM 0 HG2 GLU A 6 5.084 8.158 -4.239 1.00 62.51 H new ATOM 0 HG3 GLU A 6 4.883 7.414 -2.665 1.00 62.51 H new ATOM 92 N GLU A 7 5.100 6.064 -7.529 1.00 21.34 N ATOM 93 CA GLU A 7 6.156 6.294 -8.507 1.00 43.03 C ATOM 94 C GLU A 7 5.604 6.981 -9.753 1.00 14.44 C ATOM 95 O GLU A 7 6.250 7.855 -10.332 1.00 20.41 O ATOM 96 CB GLU A 7 6.821 4.971 -8.894 1.00 40.31 C ATOM 97 CG GLU A 7 8.227 5.135 -9.446 1.00 3.24 C ATOM 98 CD GLU A 7 9.185 4.081 -8.924 1.00 52.15 C ATOM 99 OE1 GLU A 7 10.058 3.638 -9.700 1.00 51.31 O ATOM 100 OE2 GLU A 7 9.061 3.699 -7.742 1.00 43.02 O ATOM 0 H GLU A 7 4.637 5.159 -7.613 1.00 21.34 H new ATOM 0 HA GLU A 7 6.900 6.947 -8.052 1.00 43.03 H new ATOM 0 HB2 GLU A 7 6.857 4.322 -8.019 1.00 40.31 H new ATOM 0 HB3 GLU A 7 6.204 4.468 -9.638 1.00 40.31 H new ATOM 0 HG2 GLU A 7 8.194 5.084 -10.534 1.00 3.24 H new ATOM 0 HG3 GLU A 7 8.603 6.124 -9.184 1.00 3.24 H new ATOM 107 N PHE A 8 4.404 6.581 -10.159 1.00 74.51 N ATOM 108 CA PHE A 8 3.764 7.156 -11.336 1.00 74.13 C ATOM 109 C PHE A 8 3.116 8.497 -11.003 1.00 32.54 C ATOM 110 O PHE A 8 3.163 9.435 -11.797 1.00 13.43 O ATOM 111 CB PHE A 8 2.713 6.193 -11.893 1.00 54.43 C ATOM 112 CG PHE A 8 3.198 5.389 -13.065 1.00 73.12 C ATOM 113 CD1 PHE A 8 4.506 4.936 -13.118 1.00 2.52 C ATOM 114 CD2 PHE A 8 2.345 5.085 -14.114 1.00 42.45 C ATOM 115 CE1 PHE A 8 4.956 4.196 -14.195 1.00 32.54 C ATOM 116 CE2 PHE A 8 2.789 4.345 -15.194 1.00 31.45 C ATOM 117 CZ PHE A 8 4.096 3.900 -15.234 1.00 41.23 C ATOM 0 H PHE A 8 3.855 5.861 -9.690 1.00 74.51 H new ATOM 0 HA PHE A 8 4.532 7.322 -12.092 1.00 74.13 H new ATOM 0 HB2 PHE A 8 2.399 5.513 -11.101 1.00 54.43 H new ATOM 0 HB3 PHE A 8 1.833 6.762 -12.192 1.00 54.43 H new ATOM 0 HD1 PHE A 8 5.183 5.164 -12.308 1.00 2.52 H new ATOM 0 HD2 PHE A 8 1.322 5.430 -14.088 1.00 42.45 H new ATOM 0 HE1 PHE A 8 5.979 3.850 -14.224 1.00 32.54 H new ATOM 0 HE2 PHE A 8 2.115 4.115 -16.006 1.00 31.45 H new ATOM 0 HZ PHE A 8 4.445 3.321 -16.077 1.00 41.23 H new ATOM 127 N ALA A 9 2.511 8.577 -9.822 1.00 32.10 N ATOM 128 CA ALA A 9 1.855 9.802 -9.382 1.00 34.23 C ATOM 129 C ALA A 9 2.856 10.944 -9.249 1.00 23.13 C ATOM 130 O ALA A 9 2.475 12.112 -9.184 1.00 12.03 O ATOM 131 CB ALA A 9 1.137 9.570 -8.060 1.00 53.24 C ATOM 0 H ALA A 9 2.462 7.808 -9.153 1.00 32.10 H new ATOM 0 HA ALA A 9 1.121 10.084 -10.137 1.00 34.23 H new ATOM 0 HB1 ALA A 9 0.651 10.493 -7.743 1.00 53.24 H new ATOM 0 HB2 ALA A 9 0.386 8.790 -8.186 1.00 53.24 H new ATOM 0 HB3 ALA A 9 1.858 9.261 -7.303 1.00 53.24 H new ATOM 137 N ALA A 10 4.139 10.598 -9.208 1.00 11.20 N ATOM 138 CA ALA A 10 5.195 11.595 -9.084 1.00 21.11 C ATOM 139 C ALA A 10 5.606 12.133 -10.450 1.00 73.25 C ATOM 140 O ALA A 10 5.952 13.306 -10.589 1.00 65.01 O ATOM 141 CB ALA A 10 6.398 11.003 -8.365 1.00 31.44 C ATOM 0 H ALA A 10 4.472 9.635 -9.259 1.00 11.20 H new ATOM 0 HA ALA A 10 4.807 12.427 -8.497 1.00 21.11 H new ATOM 0 HB1 ALA A 10 7.179 11.759 -8.279 1.00 31.44 H new ATOM 0 HB2 ALA A 10 6.101 10.674 -7.369 1.00 31.44 H new ATOM 0 HB3 ALA A 10 6.777 10.152 -8.930 1.00 31.44 H new ATOM 147 N LYS A 11 5.565 11.268 -11.458 1.00 60.31 N ATOM 148 CA LYS A 11 5.932 11.655 -12.815 1.00 41.10 C ATOM 149 C LYS A 11 4.719 12.174 -13.580 1.00 12.53 C ATOM 150 O LYS A 11 4.852 12.981 -14.501 1.00 55.11 O ATOM 151 CB LYS A 11 6.546 10.467 -13.558 1.00 62.43 C ATOM 152 CG LYS A 11 8.064 10.495 -13.603 1.00 1.44 C ATOM 153 CD LYS A 11 8.574 11.587 -14.529 1.00 23.33 C ATOM 154 CE LYS A 11 10.043 11.890 -14.276 1.00 41.41 C ATOM 155 NZ LYS A 11 10.853 11.786 -15.521 1.00 62.03 N ATOM 0 H LYS A 11 5.281 10.293 -11.360 1.00 60.31 H new ATOM 0 HA LYS A 11 6.669 12.456 -12.750 1.00 41.10 H new ATOM 0 HB2 LYS A 11 6.222 9.543 -13.079 1.00 62.43 H new ATOM 0 HB3 LYS A 11 6.161 10.449 -14.578 1.00 62.43 H new ATOM 0 HG2 LYS A 11 8.456 10.656 -12.599 1.00 1.44 H new ATOM 0 HG3 LYS A 11 8.437 9.528 -13.940 1.00 1.44 H new ATOM 0 HD2 LYS A 11 8.438 11.279 -15.566 1.00 23.33 H new ATOM 0 HD3 LYS A 11 7.984 12.492 -14.385 1.00 23.33 H new ATOM 0 HE2 LYS A 11 10.141 12.894 -13.862 1.00 41.41 H new ATOM 0 HE3 LYS A 11 10.433 11.198 -13.530 1.00 41.41 H new ATOM 0 HZ1 LYS A 11 11.848 12.000 -15.307 1.00 62.03 H new ATOM 0 HZ2 LYS A 11 10.780 10.821 -15.903 1.00 62.03 H new ATOM 0 HZ3 LYS A 11 10.497 12.464 -16.224 1.00 62.03 H new ATOM 169 N LEU A 12 3.537 11.709 -13.191 1.00 72.23 N ATOM 170 CA LEU A 12 2.299 12.128 -13.840 1.00 31.25 C ATOM 171 C LEU A 12 1.812 13.459 -13.275 1.00 63.24 C ATOM 172 O LEU A 12 1.066 14.187 -13.931 1.00 22.43 O ATOM 173 CB LEU A 12 1.219 11.059 -13.660 1.00 0.42 C ATOM 174 CG LEU A 12 1.104 10.026 -14.781 1.00 23.12 C ATOM 175 CD1 LEU A 12 0.517 10.659 -16.032 1.00 54.05 C ATOM 176 CD2 LEU A 12 2.463 9.410 -15.080 1.00 44.51 C ATOM 0 H LEU A 12 3.409 11.042 -12.430 1.00 72.23 H new ATOM 0 HA LEU A 12 2.500 12.257 -14.903 1.00 31.25 H new ATOM 0 HB2 LEU A 12 1.410 10.532 -12.725 1.00 0.42 H new ATOM 0 HB3 LEU A 12 0.256 11.558 -13.553 1.00 0.42 H new ATOM 0 HG LEU A 12 0.433 9.233 -14.451 1.00 23.12 H new ATOM 0 HD11 LEU A 12 0.443 9.909 -16.819 1.00 54.05 H new ATOM 0 HD12 LEU A 12 -0.475 11.051 -15.810 1.00 54.05 H new ATOM 0 HD13 LEU A 12 1.162 11.472 -16.365 1.00 54.05 H new ATOM 0 HD21 LEU A 12 2.362 8.677 -15.880 1.00 44.51 H new ATOM 0 HD22 LEU A 12 3.157 10.192 -15.389 1.00 44.51 H new ATOM 0 HD23 LEU A 12 2.845 8.919 -14.185 1.00 44.51 H new ATOM 188 N ASP A 13 2.241 13.771 -12.058 1.00 3.53 N ATOM 189 CA ASP A 13 1.852 15.017 -11.406 1.00 62.22 C ATOM 190 C ASP A 13 2.415 16.221 -12.155 1.00 25.32 C ATOM 191 O ASP A 13 2.051 17.363 -11.877 1.00 12.24 O ATOM 192 CB ASP A 13 2.336 15.031 -9.955 1.00 74.12 C ATOM 193 CG ASP A 13 1.200 14.860 -8.965 1.00 64.31 C ATOM 194 OD1 ASP A 13 1.386 14.128 -7.970 1.00 73.20 O ATOM 195 OD2 ASP A 13 0.127 15.458 -9.185 1.00 12.33 O ATOM 0 H ASP A 13 2.858 13.179 -11.502 1.00 3.53 H new ATOM 0 HA ASP A 13 0.764 15.081 -11.418 1.00 62.22 H new ATOM 0 HB2 ASP A 13 3.064 14.233 -9.810 1.00 74.12 H new ATOM 0 HB3 ASP A 13 2.850 15.971 -9.755 1.00 74.12 H new ATOM 200 N ARG A 14 3.307 15.957 -13.105 1.00 32.55 N ATOM 201 CA ARG A 14 3.922 17.018 -13.891 1.00 42.44 C ATOM 202 C ARG A 14 3.362 17.038 -15.311 1.00 32.05 C ATOM 203 O ARG A 14 3.735 17.883 -16.125 1.00 61.14 O ATOM 204 CB ARG A 14 5.441 16.836 -13.934 1.00 15.32 C ATOM 205 CG ARG A 14 6.181 17.649 -12.884 1.00 51.34 C ATOM 206 CD ARG A 14 6.835 18.880 -13.493 1.00 25.25 C ATOM 207 NE ARG A 14 5.910 20.006 -13.579 1.00 73.11 N ATOM 208 CZ ARG A 14 6.299 21.268 -13.717 1.00 40.42 C ATOM 209 NH1 ARG A 14 7.590 21.564 -13.785 1.00 33.04 N ATOM 210 NH2 ARG A 14 5.396 22.238 -13.789 1.00 3.32 N ATOM 0 H ARG A 14 3.619 15.017 -13.348 1.00 32.55 H new ATOM 0 HA ARG A 14 3.690 17.970 -13.413 1.00 42.44 H new ATOM 0 HB2 ARG A 14 5.676 15.781 -13.797 1.00 15.32 H new ATOM 0 HB3 ARG A 14 5.805 17.118 -14.922 1.00 15.32 H new ATOM 0 HG2 ARG A 14 5.486 17.954 -12.102 1.00 51.34 H new ATOM 0 HG3 ARG A 14 6.941 17.028 -12.410 1.00 51.34 H new ATOM 0 HD2 ARG A 14 7.699 19.166 -12.893 1.00 25.25 H new ATOM 0 HD3 ARG A 14 7.205 18.638 -14.489 1.00 25.25 H new ATOM 0 HE ARG A 14 4.910 19.813 -13.530 1.00 73.11 H new ATOM 0 HH11 ARG A 14 8.287 20.821 -13.731 1.00 33.04 H new ATOM 0 HH12 ARG A 14 7.886 22.534 -13.891 1.00 33.04 H new ATOM 0 HH21 ARG A 14 4.402 22.014 -13.738 1.00 3.32 H new ATOM 0 HH22 ARG A 14 5.696 23.207 -13.895 1.00 3.32 H new ATOM 224 N LEU A 15 2.465 16.102 -15.600 1.00 15.04 N ATOM 225 CA LEU A 15 1.852 16.011 -16.921 1.00 23.14 C ATOM 226 C LEU A 15 0.342 16.205 -16.835 1.00 72.23 C ATOM 227 O LEU A 15 -0.253 16.894 -17.664 1.00 13.44 O ATOM 228 CB LEU A 15 2.169 14.657 -17.559 1.00 10.31 C ATOM 229 CG LEU A 15 3.369 13.907 -16.980 1.00 73.50 C ATOM 230 CD1 LEU A 15 3.487 12.525 -17.606 1.00 15.34 C ATOM 231 CD2 LEU A 15 4.649 14.701 -17.193 1.00 53.41 C ATOM 0 H LEU A 15 2.146 15.395 -14.938 1.00 15.04 H new ATOM 0 HA LEU A 15 2.266 16.805 -17.543 1.00 23.14 H new ATOM 0 HB2 LEU A 15 1.289 14.020 -17.468 1.00 10.31 H new ATOM 0 HB3 LEU A 15 2.342 14.811 -18.624 1.00 10.31 H new ATOM 0 HG LEU A 15 3.214 13.787 -15.908 1.00 73.50 H new ATOM 0 HD11 LEU A 15 4.346 12.006 -17.182 1.00 15.34 H new ATOM 0 HD12 LEU A 15 2.581 11.954 -17.401 1.00 15.34 H new ATOM 0 HD13 LEU A 15 3.618 12.624 -18.684 1.00 15.34 H new ATOM 0 HD21 LEU A 15 5.492 14.151 -16.774 1.00 53.41 H new ATOM 0 HD22 LEU A 15 4.809 14.853 -18.260 1.00 53.41 H new ATOM 0 HD23 LEU A 15 4.564 15.668 -16.697 1.00 53.41 H new ATOM 243 N ASP A 16 -0.272 15.594 -15.828 1.00 2.02 N ATOM 244 CA ASP A 16 -1.713 15.702 -15.632 1.00 2.02 C ATOM 245 C ASP A 16 -2.467 15.204 -16.861 1.00 11.42 C ATOM 246 O ASP A 16 -3.433 15.826 -17.303 1.00 3.44 O ATOM 247 CB ASP A 16 -2.101 17.151 -15.332 1.00 31.44 C ATOM 248 CG ASP A 16 -1.875 17.522 -13.879 1.00 65.32 C ATOM 249 OD1 ASP A 16 -1.489 16.632 -13.092 1.00 62.33 O ATOM 250 OD2 ASP A 16 -2.082 18.702 -13.530 1.00 11.24 O ATOM 0 H ASP A 16 0.206 15.019 -15.134 1.00 2.02 H new ATOM 0 HA ASP A 16 -1.987 15.077 -14.782 1.00 2.02 H new ATOM 0 HB2 ASP A 16 -1.521 17.819 -15.969 1.00 31.44 H new ATOM 0 HB3 ASP A 16 -3.151 17.303 -15.584 1.00 31.44 H new ATOM 255 N ALA A 17 -2.019 14.080 -17.409 1.00 22.43 N ATOM 256 CA ALA A 17 -2.652 13.498 -18.586 1.00 1.11 C ATOM 257 C ALA A 17 -3.581 12.352 -18.200 1.00 64.10 C ATOM 258 O ALA A 17 -4.794 12.435 -18.386 1.00 50.24 O ATOM 259 CB ALA A 17 -1.596 13.016 -19.569 1.00 44.02 C ATOM 0 H ALA A 17 -1.220 13.554 -17.057 1.00 22.43 H new ATOM 0 HA ALA A 17 -3.252 14.272 -19.065 1.00 1.11 H new ATOM 0 HB1 ALA A 17 -2.083 12.584 -20.443 1.00 44.02 H new ATOM 0 HB2 ALA A 17 -0.976 13.857 -19.878 1.00 44.02 H new ATOM 0 HB3 ALA A 17 -0.972 12.261 -19.091 1.00 44.02 H new ATOM 265 N GLU A 18 -3.002 11.283 -17.662 1.00 62.43 N ATOM 266 CA GLU A 18 -3.779 10.119 -17.252 1.00 53.21 C ATOM 267 C GLU A 18 -4.269 10.271 -15.815 1.00 10.31 C ATOM 268 O GLU A 18 -5.473 10.304 -15.557 1.00 64.25 O ATOM 269 CB GLU A 18 -2.942 8.846 -17.385 1.00 24.30 C ATOM 270 CG GLU A 18 -3.494 7.669 -16.598 1.00 5.24 C ATOM 271 CD GLU A 18 -4.972 7.441 -16.848 1.00 44.52 C ATOM 272 OE1 GLU A 18 -5.453 7.819 -17.937 1.00 70.32 O ATOM 273 OE2 GLU A 18 -5.647 6.887 -15.956 1.00 64.22 O ATOM 0 H GLU A 18 -1.998 11.199 -17.500 1.00 62.43 H new ATOM 0 HA GLU A 18 -4.647 10.044 -17.908 1.00 53.21 H new ATOM 0 HB2 GLU A 18 -2.879 8.571 -18.438 1.00 24.30 H new ATOM 0 HB3 GLU A 18 -1.926 9.053 -17.049 1.00 24.30 H new ATOM 0 HG2 GLU A 18 -2.941 6.768 -16.864 1.00 5.24 H new ATOM 0 HG3 GLU A 18 -3.332 7.840 -15.534 1.00 5.24 H new ATOM 280 N PHE A 19 -3.327 10.363 -14.882 1.00 13.42 N ATOM 281 CA PHE A 19 -3.662 10.510 -13.470 1.00 43.50 C ATOM 282 C PHE A 19 -4.611 11.686 -13.255 1.00 44.04 C ATOM 283 O PHE A 19 -5.339 11.736 -12.265 1.00 54.31 O ATOM 284 CB PHE A 19 -2.391 10.708 -12.641 1.00 1.20 C ATOM 285 CG PHE A 19 -1.850 9.433 -12.060 1.00 2.30 C ATOM 286 CD1 PHE A 19 -1.423 8.406 -12.886 1.00 41.32 C ATOM 287 CD2 PHE A 19 -1.768 9.262 -10.687 1.00 74.35 C ATOM 288 CE1 PHE A 19 -0.924 7.232 -12.355 1.00 20.21 C ATOM 289 CE2 PHE A 19 -1.270 8.090 -10.150 1.00 71.24 C ATOM 290 CZ PHE A 19 -0.849 7.073 -10.985 1.00 45.10 C ATOM 0 H PHE A 19 -2.326 10.338 -15.078 1.00 13.42 H new ATOM 0 HA PHE A 19 -4.162 9.598 -13.144 1.00 43.50 H new ATOM 0 HB2 PHE A 19 -1.626 11.166 -13.268 1.00 1.20 H new ATOM 0 HB3 PHE A 19 -2.600 11.407 -11.831 1.00 1.20 H new ATOM 0 HD1 PHE A 19 -1.481 8.524 -13.958 1.00 41.32 H new ATOM 0 HD2 PHE A 19 -2.097 10.053 -10.030 1.00 74.35 H new ATOM 0 HE1 PHE A 19 -0.593 6.440 -13.010 1.00 20.21 H new ATOM 0 HE2 PHE A 19 -1.210 7.969 -9.078 1.00 71.24 H new ATOM 0 HZ PHE A 19 -0.462 6.155 -10.567 1.00 45.10 H new ATOM 300 N ALA A 20 -4.595 12.630 -14.191 1.00 24.12 N ATOM 301 CA ALA A 20 -5.454 13.804 -14.106 1.00 2.33 C ATOM 302 C ALA A 20 -6.885 13.468 -14.509 1.00 33.41 C ATOM 303 O ALA A 20 -7.842 14.004 -13.949 1.00 42.22 O ATOM 304 CB ALA A 20 -4.907 14.923 -14.980 1.00 5.13 C ATOM 0 H ALA A 20 -3.996 12.604 -15.017 1.00 24.12 H new ATOM 0 HA ALA A 20 -5.466 14.140 -13.069 1.00 2.33 H new ATOM 0 HB1 ALA A 20 -5.559 15.794 -14.907 1.00 5.13 H new ATOM 0 HB2 ALA A 20 -3.905 15.190 -14.644 1.00 5.13 H new ATOM 0 HB3 ALA A 20 -4.865 14.588 -16.016 1.00 5.13 H new ATOM 310 N LYS A 21 -7.026 12.576 -15.484 1.00 13.10 N ATOM 311 CA LYS A 21 -8.341 12.167 -15.963 1.00 32.53 C ATOM 312 C LYS A 21 -8.911 11.048 -15.097 1.00 35.05 C ATOM 313 O LYS A 21 -10.126 10.862 -15.025 1.00 74.33 O ATOM 314 CB LYS A 21 -8.255 11.705 -17.419 1.00 73.32 C ATOM 315 CG LYS A 21 -8.239 12.847 -18.420 1.00 14.43 C ATOM 316 CD LYS A 21 -9.646 13.242 -18.838 1.00 1.44 C ATOM 317 CE LYS A 21 -10.262 14.228 -17.857 1.00 55.32 C ATOM 318 NZ LYS A 21 -11.359 15.019 -18.481 1.00 73.35 N ATOM 0 H LYS A 21 -6.245 12.122 -15.958 1.00 13.10 H new ATOM 0 HA LYS A 21 -9.007 13.027 -15.900 1.00 32.53 H new ATOM 0 HB2 LYS A 21 -7.353 11.107 -17.549 1.00 73.32 H new ATOM 0 HB3 LYS A 21 -9.103 11.055 -17.636 1.00 73.32 H new ATOM 0 HG2 LYS A 21 -7.733 13.708 -17.983 1.00 14.43 H new ATOM 0 HG3 LYS A 21 -7.666 12.553 -19.300 1.00 14.43 H new ATOM 0 HD2 LYS A 21 -9.620 13.685 -19.833 1.00 1.44 H new ATOM 0 HD3 LYS A 21 -10.271 12.352 -18.902 1.00 1.44 H new ATOM 0 HE2 LYS A 21 -10.650 13.687 -16.994 1.00 55.32 H new ATOM 0 HE3 LYS A 21 -9.490 14.904 -17.489 1.00 55.32 H new ATOM 0 HZ1 LYS A 21 -11.753 15.679 -17.780 1.00 73.35 H new ATOM 0 HZ2 LYS A 21 -10.984 15.555 -19.289 1.00 73.35 H new ATOM 0 HZ3 LYS A 21 -12.107 14.376 -18.809 1.00 73.35 H new ATOM 332 N LYS A 22 -8.027 10.306 -14.438 1.00 52.40 N ATOM 333 CA LYS A 22 -8.442 9.208 -13.574 1.00 22.32 C ATOM 334 C LYS A 22 -8.927 9.730 -12.225 1.00 73.42 C ATOM 335 O LYS A 22 -9.971 9.310 -11.726 1.00 40.03 O ATOM 336 CB LYS A 22 -7.283 8.229 -13.367 1.00 13.41 C ATOM 337 CG LYS A 22 -7.559 7.176 -12.308 1.00 24.02 C ATOM 338 CD LYS A 22 -6.737 5.920 -12.544 1.00 22.11 C ATOM 339 CE LYS A 22 -7.597 4.783 -13.074 1.00 23.44 C ATOM 340 NZ LYS A 22 -8.073 3.891 -11.980 1.00 1.32 N ATOM 0 H LYS A 22 -7.018 10.446 -14.486 1.00 52.40 H new ATOM 0 HA LYS A 22 -9.267 8.688 -14.060 1.00 22.32 H new ATOM 0 HB2 LYS A 22 -7.064 7.733 -14.313 1.00 13.41 H new ATOM 0 HB3 LYS A 22 -6.391 8.789 -13.087 1.00 13.41 H new ATOM 0 HG2 LYS A 22 -7.331 7.581 -11.322 1.00 24.02 H new ATOM 0 HG3 LYS A 22 -8.619 6.924 -12.312 1.00 24.02 H new ATOM 0 HD2 LYS A 22 -5.938 6.135 -13.254 1.00 22.11 H new ATOM 0 HD3 LYS A 22 -6.262 5.614 -11.612 1.00 22.11 H new ATOM 0 HE2 LYS A 22 -8.455 5.194 -13.606 1.00 23.44 H new ATOM 0 HE3 LYS A 22 -7.024 4.200 -13.795 1.00 23.44 H new ATOM 0 HZ1 LYS A 22 -8.432 3.004 -12.387 1.00 1.32 H new ATOM 0 HZ2 LYS A 22 -7.285 3.682 -11.335 1.00 1.32 H new ATOM 0 HZ3 LYS A 22 -8.835 4.364 -11.453 1.00 1.32 H new ATOM 354 N MET A 23 -8.164 10.648 -11.642 1.00 20.24 N ATOM 355 CA MET A 23 -8.519 11.229 -10.352 1.00 21.42 C ATOM 356 C MET A 23 -9.931 11.804 -10.385 1.00 33.31 C ATOM 357 O MET A 23 -10.624 11.828 -9.368 1.00 53.44 O ATOM 358 CB MET A 23 -7.519 12.321 -9.968 1.00 55.52 C ATOM 359 CG MET A 23 -6.585 11.921 -8.839 1.00 25.33 C ATOM 360 SD MET A 23 -7.457 11.614 -7.291 1.00 2.34 S ATOM 361 CE MET A 23 -8.225 13.208 -7.014 1.00 13.41 C ATOM 0 H MET A 23 -7.296 11.006 -12.042 1.00 20.24 H new ATOM 0 HA MET A 23 -8.486 10.437 -9.603 1.00 21.42 H new ATOM 0 HB2 MET A 23 -6.925 12.583 -10.844 1.00 55.52 H new ATOM 0 HB3 MET A 23 -8.067 13.217 -9.675 1.00 55.52 H new ATOM 0 HG2 MET A 23 -6.037 11.024 -9.127 1.00 25.33 H new ATOM 0 HG3 MET A 23 -5.848 12.709 -8.686 1.00 25.33 H new ATOM 0 HE1 MET A 23 -8.429 13.334 -5.951 1.00 13.41 H new ATOM 0 HE2 MET A 23 -7.554 13.998 -7.350 1.00 13.41 H new ATOM 0 HE3 MET A 23 -9.160 13.264 -7.572 1.00 13.41 H new ATOM 371 N GLU A 24 -10.350 12.265 -11.559 1.00 54.20 N ATOM 372 CA GLU A 24 -11.680 12.841 -11.722 1.00 51.02 C ATOM 373 C GLU A 24 -12.761 11.825 -11.364 1.00 22.04 C ATOM 374 O GLU A 24 -13.899 12.191 -11.072 1.00 43.31 O ATOM 375 CB GLU A 24 -11.877 13.326 -13.160 1.00 74.30 C ATOM 376 CG GLU A 24 -12.490 14.713 -13.256 1.00 72.21 C ATOM 377 CD GLU A 24 -13.861 14.791 -12.613 1.00 75.55 C ATOM 378 OE1 GLU A 24 -13.945 15.229 -11.447 1.00 32.52 O ATOM 379 OE2 GLU A 24 -14.850 14.413 -13.276 1.00 52.53 O ATOM 0 H GLU A 24 -9.789 12.251 -12.411 1.00 54.20 H new ATOM 0 HA GLU A 24 -11.765 13.690 -11.044 1.00 51.02 H new ATOM 0 HB2 GLU A 24 -10.913 13.328 -13.669 1.00 74.30 H new ATOM 0 HB3 GLU A 24 -12.515 12.618 -13.689 1.00 74.30 H new ATOM 0 HG2 GLU A 24 -11.827 15.433 -12.777 1.00 72.21 H new ATOM 0 HG3 GLU A 24 -12.568 15.000 -14.305 1.00 72.21 H new ATOM 386 N GLU A 25 -12.395 10.547 -11.388 1.00 50.15 N ATOM 387 CA GLU A 25 -13.334 9.478 -11.068 1.00 5.25 C ATOM 388 C GLU A 25 -13.504 9.339 -9.557 1.00 53.35 C ATOM 389 O GLU A 25 -14.265 8.496 -9.084 1.00 61.52 O ATOM 390 CB GLU A 25 -12.853 8.152 -11.662 1.00 15.44 C ATOM 391 CG GLU A 25 -11.885 7.399 -10.765 1.00 40.04 C ATOM 392 CD GLU A 25 -10.965 6.478 -11.544 1.00 15.30 C ATOM 393 OE1 GLU A 25 -10.131 5.799 -10.910 1.00 11.24 O ATOM 394 OE2 GLU A 25 -11.080 6.437 -12.787 1.00 22.13 O ATOM 0 H GLU A 25 -11.456 10.227 -11.625 1.00 50.15 H new ATOM 0 HA GLU A 25 -14.300 9.734 -11.504 1.00 5.25 H new ATOM 0 HB2 GLU A 25 -13.717 7.519 -11.862 1.00 15.44 H new ATOM 0 HB3 GLU A 25 -12.371 8.346 -12.620 1.00 15.44 H new ATOM 0 HG2 GLU A 25 -11.285 8.114 -10.202 1.00 40.04 H new ATOM 0 HG3 GLU A 25 -12.449 6.814 -10.038 1.00 40.04 H new ATOM 401 N GLN A 26 -12.791 10.173 -8.808 1.00 45.20 N ATOM 402 CA GLN A 26 -12.862 10.143 -7.352 1.00 70.40 C ATOM 403 C GLN A 26 -14.311 10.176 -6.877 1.00 70.53 C ATOM 404 O GLN A 26 -14.698 9.427 -5.981 1.00 62.44 O ATOM 405 CB GLN A 26 -12.091 11.323 -6.758 1.00 32.55 C ATOM 406 CG GLN A 26 -10.713 10.948 -6.236 1.00 13.31 C ATOM 407 CD GLN A 26 -10.771 9.933 -5.112 1.00 21.05 C ATOM 408 OE1 GLN A 26 -11.554 10.074 -4.172 1.00 4.25 O ATOM 409 NE2 GLN A 26 -9.940 8.901 -5.202 1.00 51.03 N ATOM 0 H GLN A 26 -12.157 10.878 -9.185 1.00 45.20 H new ATOM 0 HA GLN A 26 -12.408 9.213 -7.010 1.00 70.40 H new ATOM 0 HB2 GLN A 26 -11.984 12.096 -7.519 1.00 32.55 H new ATOM 0 HB3 GLN A 26 -12.674 11.754 -5.944 1.00 32.55 H new ATOM 0 HG2 GLN A 26 -10.116 10.545 -7.054 1.00 13.31 H new ATOM 0 HG3 GLN A 26 -10.205 11.846 -5.884 1.00 13.31 H new ATOM 0 HE21 GLN A 26 -9.308 8.823 -5.999 1.00 51.03 H new ATOM 0 HE22 GLN A 26 -9.934 8.186 -4.475 1.00 51.03 H new ATOM 418 N ASN A 27 -15.108 11.049 -7.484 1.00 44.33 N ATOM 419 CA ASN A 27 -16.514 11.181 -7.123 1.00 34.53 C ATOM 420 C ASN A 27 -17.232 9.838 -7.232 1.00 4.41 C ATOM 421 O ASN A 27 -18.176 9.564 -6.492 1.00 14.45 O ATOM 422 CB ASN A 27 -17.199 12.212 -8.021 1.00 54.13 C ATOM 423 CG ASN A 27 -18.385 12.872 -7.344 1.00 42.41 C ATOM 424 OD1 ASN A 27 -19.513 12.796 -7.830 1.00 34.31 O ATOM 425 ND2 ASN A 27 -18.133 13.526 -6.216 1.00 2.11 N ATOM 0 H ASN A 27 -14.804 11.676 -8.229 1.00 44.33 H new ATOM 0 HA ASN A 27 -16.567 11.519 -6.088 1.00 34.53 H new ATOM 0 HB2 ASN A 27 -16.477 12.976 -8.309 1.00 54.13 H new ATOM 0 HB3 ASN A 27 -17.532 11.727 -8.938 1.00 54.13 H new ATOM 0 HD21 ASN A 27 -18.891 13.991 -5.716 1.00 2.11 H new ATOM 0 HD22 ASN A 27 -17.182 13.563 -5.850 1.00 2.11 H new ATOM 432 N LYS A 28 -16.776 9.004 -8.160 1.00 41.11 N ATOM 433 CA LYS A 28 -17.371 7.689 -8.367 1.00 12.24 C ATOM 434 C LYS A 28 -17.220 6.822 -7.121 1.00 33.02 C ATOM 435 O LYS A 28 -17.913 5.816 -6.965 1.00 54.55 O ATOM 436 CB LYS A 28 -16.722 6.995 -9.566 1.00 3.11 C ATOM 437 CG LYS A 28 -16.570 7.895 -10.780 1.00 61.43 C ATOM 438 CD LYS A 28 -17.194 7.271 -12.018 1.00 23.04 C ATOM 439 CE LYS A 28 -18.624 7.748 -12.221 1.00 64.45 C ATOM 440 NZ LYS A 28 -19.516 6.646 -12.677 1.00 62.14 N ATOM 0 H LYS A 28 -15.995 9.216 -8.781 1.00 41.11 H new ATOM 0 HA LYS A 28 -18.434 7.826 -8.567 1.00 12.24 H new ATOM 0 HB2 LYS A 28 -15.739 6.625 -9.273 1.00 3.11 H new ATOM 0 HB3 LYS A 28 -17.321 6.127 -9.841 1.00 3.11 H new ATOM 0 HG2 LYS A 28 -17.039 8.858 -10.581 1.00 61.43 H new ATOM 0 HG3 LYS A 28 -15.513 8.087 -10.962 1.00 61.43 H new ATOM 0 HD2 LYS A 28 -16.597 7.523 -12.894 1.00 23.04 H new ATOM 0 HD3 LYS A 28 -17.181 6.185 -11.925 1.00 23.04 H new ATOM 0 HE2 LYS A 28 -19.005 8.161 -11.287 1.00 64.45 H new ATOM 0 HE3 LYS A 28 -18.638 8.554 -12.955 1.00 64.45 H new ATOM 0 HZ1 LYS A 28 -20.482 7.011 -12.804 1.00 62.14 H new ATOM 0 HZ2 LYS A 28 -19.167 6.268 -13.581 1.00 62.14 H new ATOM 0 HZ3 LYS A 28 -19.523 5.888 -11.965 1.00 62.14 H new ATOM 454 N ARG A 29 -16.312 7.219 -6.236 1.00 24.42 N ATOM 455 CA ARG A 29 -16.071 6.477 -5.004 1.00 3.32 C ATOM 456 C ARG A 29 -17.376 6.234 -4.252 1.00 2.05 C ATOM 457 O ARG A 29 -17.477 5.308 -3.447 1.00 34.22 O ATOM 458 CB ARG A 29 -15.088 7.237 -4.110 1.00 75.12 C ATOM 459 CG ARG A 29 -15.696 8.456 -3.436 1.00 51.33 C ATOM 460 CD ARG A 29 -16.046 8.174 -1.984 1.00 24.34 C ATOM 461 NE ARG A 29 -15.192 8.917 -1.061 1.00 21.13 N ATOM 462 CZ ARG A 29 -15.427 9.013 0.243 1.00 33.51 C ATOM 463 NH1 ARG A 29 -16.485 8.415 0.775 1.00 65.42 N ATOM 464 NH2 ARG A 29 -14.604 9.707 1.018 1.00 30.01 N ATOM 0 H ARG A 29 -15.731 8.050 -6.349 1.00 24.42 H new ATOM 0 HA ARG A 29 -15.639 5.512 -5.269 1.00 3.32 H new ATOM 0 HB2 ARG A 29 -14.708 6.560 -3.344 1.00 75.12 H new ATOM 0 HB3 ARG A 29 -14.234 7.552 -4.709 1.00 75.12 H new ATOM 0 HG2 ARG A 29 -14.995 9.289 -3.487 1.00 51.33 H new ATOM 0 HG3 ARG A 29 -16.593 8.761 -3.975 1.00 51.33 H new ATOM 0 HD2 ARG A 29 -17.089 8.437 -1.805 1.00 24.34 H new ATOM 0 HD3 ARG A 29 -15.948 7.106 -1.788 1.00 24.34 H new ATOM 0 HE ARG A 29 -14.370 9.388 -1.438 1.00 21.13 H new ATOM 0 HH11 ARG A 29 -17.120 7.880 0.183 1.00 65.42 H new ATOM 0 HH12 ARG A 29 -16.663 8.490 1.776 1.00 65.42 H new ATOM 0 HH21 ARG A 29 -13.789 10.168 0.613 1.00 30.01 H new ATOM 0 HH22 ARG A 29 -14.786 9.780 2.019 1.00 30.01 H new ATOM 478 N PHE A 30 -18.372 7.072 -4.519 1.00 3.33 N ATOM 479 CA PHE A 30 -19.670 6.950 -3.866 1.00 71.42 C ATOM 480 C PHE A 30 -20.525 5.887 -4.551 1.00 24.21 C ATOM 481 O PHE A 30 -20.964 4.926 -3.919 1.00 60.31 O ATOM 482 CB PHE A 30 -20.401 8.294 -3.880 1.00 24.02 C ATOM 483 CG PHE A 30 -21.132 8.592 -2.602 1.00 62.12 C ATOM 484 CD1 PHE A 30 -22.300 7.918 -2.284 1.00 10.42 C ATOM 485 CD2 PHE A 30 -20.651 9.546 -1.720 1.00 32.23 C ATOM 486 CE1 PHE A 30 -22.975 8.190 -1.109 1.00 33.23 C ATOM 487 CE2 PHE A 30 -21.322 9.821 -0.543 1.00 2.20 C ATOM 488 CZ PHE A 30 -22.486 9.143 -0.238 1.00 2.33 C ATOM 0 H PHE A 30 -18.305 7.843 -5.183 1.00 3.33 H new ATOM 0 HA PHE A 30 -19.502 6.647 -2.833 1.00 71.42 H new ATOM 0 HB2 PHE A 30 -19.680 9.089 -4.071 1.00 24.02 H new ATOM 0 HB3 PHE A 30 -21.112 8.303 -4.706 1.00 24.02 H new ATOM 0 HD1 PHE A 30 -22.687 7.172 -2.962 1.00 10.42 H new ATOM 0 HD2 PHE A 30 -19.742 10.080 -1.954 1.00 32.23 H new ATOM 0 HE1 PHE A 30 -23.884 7.657 -0.872 1.00 33.23 H new ATOM 0 HE2 PHE A 30 -20.936 10.566 0.138 1.00 2.20 H new ATOM 0 HZ PHE A 30 -23.013 9.358 0.680 1.00 2.33 H new ATOM 498 N PHE A 31 -20.757 6.067 -5.847 1.00 5.32 N ATOM 499 CA PHE A 31 -21.560 5.126 -6.618 1.00 64.42 C ATOM 500 C PHE A 31 -20.910 3.745 -6.637 1.00 41.03 C ATOM 501 O PHE A 31 -21.589 2.730 -6.791 1.00 44.14 O ATOM 502 CB PHE A 31 -21.746 5.634 -8.049 1.00 64.03 C ATOM 503 CG PHE A 31 -22.824 4.913 -8.806 1.00 53.11 C ATOM 504 CD1 PHE A 31 -22.598 4.456 -10.094 1.00 52.45 C ATOM 505 CD2 PHE A 31 -24.065 4.693 -8.229 1.00 64.41 C ATOM 506 CE1 PHE A 31 -23.589 3.792 -10.794 1.00 4.34 C ATOM 507 CE2 PHE A 31 -25.059 4.029 -8.923 1.00 65.20 C ATOM 508 CZ PHE A 31 -24.821 3.579 -10.207 1.00 43.22 C ATOM 0 H PHE A 31 -20.400 6.856 -6.385 1.00 5.32 H new ATOM 0 HA PHE A 31 -22.536 5.043 -6.140 1.00 64.42 H new ATOM 0 HB2 PHE A 31 -21.983 6.698 -8.020 1.00 64.03 H new ATOM 0 HB3 PHE A 31 -20.804 5.531 -8.588 1.00 64.03 H new ATOM 0 HD1 PHE A 31 -21.636 4.620 -10.557 1.00 52.45 H new ATOM 0 HD2 PHE A 31 -24.257 5.044 -7.226 1.00 64.41 H new ATOM 0 HE1 PHE A 31 -23.400 3.441 -11.798 1.00 4.34 H new ATOM 0 HE2 PHE A 31 -26.021 3.862 -8.462 1.00 65.20 H new ATOM 0 HZ PHE A 31 -25.597 3.061 -10.751 1.00 43.22 H new ATOM 518 N ALA A 32 -19.591 3.716 -6.480 1.00 44.31 N ATOM 519 CA ALA A 32 -18.849 2.462 -6.478 1.00 23.44 C ATOM 520 C ALA A 32 -18.373 2.108 -5.073 1.00 33.44 C ATOM 521 O ALA A 32 -17.606 1.163 -4.886 1.00 74.32 O ATOM 522 CB ALA A 32 -17.666 2.546 -7.431 1.00 72.24 C ATOM 0 H ALA A 32 -19.014 4.547 -6.352 1.00 44.31 H new ATOM 0 HA ALA A 32 -19.519 1.672 -6.817 1.00 23.44 H new ATOM 0 HB1 ALA A 32 -17.121 1.602 -7.419 1.00 72.24 H new ATOM 0 HB2 ALA A 32 -18.026 2.744 -8.441 1.00 72.24 H new ATOM 0 HB3 ALA A 32 -17.003 3.352 -7.117 1.00 72.24 H new ATOM 528 N ASP A 33 -18.833 2.872 -4.088 1.00 24.32 N ATOM 529 CA ASP A 33 -18.454 2.638 -2.699 1.00 13.21 C ATOM 530 C ASP A 33 -18.809 1.218 -2.271 1.00 22.44 C ATOM 531 O ASP A 33 -18.255 0.692 -1.304 1.00 55.42 O ATOM 532 CB ASP A 33 -19.147 3.648 -1.783 1.00 1.23 C ATOM 533 CG ASP A 33 -18.308 4.000 -0.570 1.00 42.31 C ATOM 534 OD1 ASP A 33 -18.086 5.206 -0.331 1.00 52.13 O ATOM 535 OD2 ASP A 33 -17.873 3.070 0.141 1.00 55.23 O ATOM 0 H ASP A 33 -19.468 3.658 -4.225 1.00 24.32 H new ATOM 0 HA ASP A 33 -17.374 2.764 -2.616 1.00 13.21 H new ATOM 0 HB2 ASP A 33 -19.365 4.555 -2.346 1.00 1.23 H new ATOM 0 HB3 ASP A 33 -20.103 3.240 -1.454 1.00 1.23 H new ATOM 540 N LYS A 34 -19.736 0.601 -2.995 1.00 63.45 N ATOM 541 CA LYS A 34 -20.165 -0.759 -2.692 1.00 32.41 C ATOM 542 C LYS A 34 -18.964 -1.686 -2.531 1.00 73.00 C ATOM 543 O LYS A 34 -17.878 -1.429 -3.050 1.00 23.13 O ATOM 544 CB LYS A 34 -21.084 -1.285 -3.797 1.00 43.25 C ATOM 545 CG LYS A 34 -20.521 -1.097 -5.196 1.00 34.11 C ATOM 546 CD LYS A 34 -21.547 -1.448 -6.261 1.00 23.20 C ATOM 547 CE LYS A 34 -21.266 -2.810 -6.878 1.00 4.21 C ATOM 548 NZ LYS A 34 -22.058 -3.889 -6.225 1.00 51.45 N ATOM 0 H LYS A 34 -20.205 1.022 -3.797 1.00 63.45 H new ATOM 0 HA LYS A 34 -20.714 -0.738 -1.751 1.00 32.41 H new ATOM 0 HB2 LYS A 34 -21.271 -2.346 -3.629 1.00 43.25 H new ATOM 0 HB3 LYS A 34 -22.046 -0.777 -3.730 1.00 43.25 H new ATOM 0 HG2 LYS A 34 -20.201 -0.063 -5.325 1.00 34.11 H new ATOM 0 HG3 LYS A 34 -19.637 -1.722 -5.321 1.00 34.11 H new ATOM 0 HD2 LYS A 34 -22.545 -1.445 -5.822 1.00 23.20 H new ATOM 0 HD3 LYS A 34 -21.540 -0.686 -7.040 1.00 23.20 H new ATOM 0 HE2 LYS A 34 -21.499 -2.782 -7.942 1.00 4.21 H new ATOM 0 HE3 LYS A 34 -20.203 -3.036 -6.791 1.00 4.21 H new ATOM 0 HZ1 LYS A 34 -21.838 -4.801 -6.674 1.00 51.45 H new ATOM 0 HZ2 LYS A 34 -21.817 -3.933 -5.214 1.00 51.45 H new ATOM 0 HZ3 LYS A 34 -23.073 -3.687 -6.330 1.00 51.45 H new ATOM 562 N PRO A 35 -19.162 -2.791 -1.797 1.00 14.24 N ATOM 563 CA PRO A 35 -18.107 -3.779 -1.553 1.00 14.24 C ATOM 564 C PRO A 35 -17.744 -4.561 -2.810 1.00 21.32 C ATOM 565 O PRO A 35 -18.620 -5.045 -3.527 1.00 13.42 O ATOM 566 CB PRO A 35 -18.727 -4.708 -0.505 1.00 44.51 C ATOM 567 CG PRO A 35 -20.197 -4.579 -0.707 1.00 11.24 C ATOM 568 CD PRO A 35 -20.432 -3.161 -1.148 1.00 41.25 C ATOM 0 HA PRO A 35 -17.177 -3.311 -1.231 1.00 14.24 H new ATOM 0 HB2 PRO A 35 -18.397 -5.738 -0.644 1.00 44.51 H new ATOM 0 HB3 PRO A 35 -18.439 -4.414 0.504 1.00 44.51 H new ATOM 0 HG2 PRO A 35 -20.551 -5.285 -1.458 1.00 11.24 H new ATOM 0 HG3 PRO A 35 -20.738 -4.796 0.214 1.00 11.24 H new ATOM 0 HD2 PRO A 35 -21.272 -3.089 -1.839 1.00 41.25 H new ATOM 0 HD3 PRO A 35 -20.657 -2.509 -0.304 1.00 41.25 H new ATOM 576 N ASP A 36 -16.447 -4.683 -3.071 1.00 51.42 N ATOM 577 CA ASP A 36 -15.968 -5.408 -4.242 1.00 24.23 C ATOM 578 C ASP A 36 -14.997 -6.513 -3.836 1.00 43.13 C ATOM 579 O ASP A 36 -14.098 -6.871 -4.596 1.00 61.33 O ATOM 580 CB ASP A 36 -15.288 -4.449 -5.220 1.00 52.20 C ATOM 581 CG ASP A 36 -16.107 -3.197 -5.467 1.00 34.24 C ATOM 582 OD1 ASP A 36 -17.336 -3.319 -5.654 1.00 72.42 O ATOM 583 OD2 ASP A 36 -15.520 -2.095 -5.471 1.00 61.52 O ATOM 0 H ASP A 36 -15.709 -4.289 -2.488 1.00 51.42 H new ATOM 0 HA ASP A 36 -16.827 -5.865 -4.733 1.00 24.23 H new ATOM 0 HB2 ASP A 36 -14.310 -4.169 -4.829 1.00 52.20 H new ATOM 0 HB3 ASP A 36 -15.118 -4.961 -6.167 1.00 52.20 H new ATOM 588 N GLU A 37 -15.185 -7.047 -2.633 1.00 63.05 N ATOM 589 CA GLU A 37 -14.324 -8.109 -2.127 1.00 63.42 C ATOM 590 C GLU A 37 -12.970 -7.553 -1.695 1.00 61.12 C ATOM 591 O GLU A 37 -12.578 -7.676 -0.535 1.00 60.32 O ATOM 592 CB GLU A 37 -14.127 -9.189 -3.194 1.00 10.33 C ATOM 593 CG GLU A 37 -14.264 -10.605 -2.659 1.00 43.53 C ATOM 594 CD GLU A 37 -12.987 -11.410 -2.808 1.00 14.24 C ATOM 595 OE1 GLU A 37 -12.641 -12.150 -1.863 1.00 63.13 O ATOM 596 OE2 GLU A 37 -12.335 -11.300 -3.867 1.00 14.32 O ATOM 0 H GLU A 37 -15.925 -6.762 -1.992 1.00 63.05 H new ATOM 0 HA GLU A 37 -14.810 -8.552 -1.257 1.00 63.42 H new ATOM 0 HB2 GLU A 37 -14.856 -9.038 -3.990 1.00 10.33 H new ATOM 0 HB3 GLU A 37 -13.139 -9.072 -3.640 1.00 10.33 H new ATOM 0 HG2 GLU A 37 -14.544 -10.566 -1.606 1.00 43.53 H new ATOM 0 HG3 GLU A 37 -15.072 -11.112 -3.186 1.00 43.53 H new ATOM 603 N ALA A 38 -12.260 -6.941 -2.638 1.00 33.14 N ATOM 604 CA ALA A 38 -10.952 -6.365 -2.355 1.00 43.32 C ATOM 605 C ALA A 38 -11.082 -5.075 -1.553 1.00 3.44 C ATOM 606 O ALA A 38 -10.602 -4.983 -0.422 1.00 33.01 O ATOM 607 CB ALA A 38 -10.197 -6.108 -3.651 1.00 60.43 C ATOM 0 H ALA A 38 -12.569 -6.832 -3.604 1.00 33.14 H new ATOM 0 HA ALA A 38 -10.390 -7.080 -1.755 1.00 43.32 H new ATOM 0 HB1 ALA A 38 -9.222 -5.678 -3.425 1.00 60.43 H new ATOM 0 HB2 ALA A 38 -10.063 -7.048 -4.187 1.00 60.43 H new ATOM 0 HB3 ALA A 38 -10.765 -5.414 -4.271 1.00 60.43 H new ATOM 613 N THR A 39 -11.733 -4.078 -2.144 1.00 43.13 N ATOM 614 CA THR A 39 -11.924 -2.792 -1.485 1.00 70.22 C ATOM 615 C THR A 39 -10.657 -1.947 -1.551 1.00 12.14 C ATOM 616 O THR A 39 -10.721 -0.722 -1.661 1.00 1.30 O ATOM 617 CB THR A 39 -12.332 -2.972 -0.011 1.00 12.11 C ATOM 618 OG1 THR A 39 -13.512 -2.209 0.267 1.00 23.24 O ATOM 619 CG2 THR A 39 -11.209 -2.536 0.918 1.00 34.14 C ATOM 0 H THR A 39 -12.137 -4.137 -3.079 1.00 43.13 H new ATOM 0 HA THR A 39 -12.726 -2.280 -2.016 1.00 70.22 H new ATOM 0 HB THR A 39 -12.535 -4.029 0.161 1.00 12.11 H new ATOM 0 HG1 THR A 39 -13.766 -2.330 1.206 1.00 23.24 H new ATOM 0 HG21 THR A 39 -11.520 -2.672 1.954 1.00 34.14 H new ATOM 0 HG22 THR A 39 -10.321 -3.138 0.724 1.00 34.14 H new ATOM 0 HG23 THR A 39 -10.980 -1.485 0.743 1.00 34.14 H new ATOM 627 N LEU A 40 -9.507 -2.608 -1.483 1.00 3.45 N ATOM 628 CA LEU A 40 -8.223 -1.916 -1.535 1.00 31.31 C ATOM 629 C LEU A 40 -8.053 -0.992 -0.333 1.00 61.43 C ATOM 630 O LEU A 40 -9.033 -0.556 0.271 1.00 63.40 O ATOM 631 CB LEU A 40 -8.107 -1.113 -2.831 1.00 40.42 C ATOM 632 CG LEU A 40 -6.692 -0.702 -3.242 1.00 74.52 C ATOM 633 CD1 LEU A 40 -5.896 -1.916 -3.696 1.00 43.45 C ATOM 634 CD2 LEU A 40 -6.740 0.349 -4.341 1.00 70.24 C ATOM 0 H LEU A 40 -9.437 -3.621 -1.392 1.00 3.45 H new ATOM 0 HA LEU A 40 -7.432 -2.666 -1.507 1.00 31.31 H new ATOM 0 HB2 LEU A 40 -8.542 -1.701 -3.639 1.00 40.42 H new ATOM 0 HB3 LEU A 40 -8.711 -0.211 -2.731 1.00 40.42 H new ATOM 0 HG LEU A 40 -6.193 -0.269 -2.375 1.00 74.52 H new ATOM 0 HD11 LEU A 40 -4.892 -1.605 -3.985 1.00 43.45 H new ATOM 0 HD12 LEU A 40 -5.833 -2.636 -2.880 1.00 43.45 H new ATOM 0 HD13 LEU A 40 -6.392 -2.378 -4.549 1.00 43.45 H new ATOM 0 HD21 LEU A 40 -5.725 0.629 -4.621 1.00 70.24 H new ATOM 0 HD22 LEU A 40 -7.257 -0.057 -5.210 1.00 70.24 H new ATOM 0 HD23 LEU A 40 -7.273 1.229 -3.980 1.00 70.24 H new ATOM 646 N SER A 41 -6.802 -0.696 0.006 1.00 34.15 N ATOM 647 CA SER A 41 -6.503 0.175 1.137 1.00 54.21 C ATOM 648 C SER A 41 -6.348 1.623 0.681 1.00 64.33 C ATOM 649 O SER A 41 -6.221 1.916 -0.508 1.00 61.54 O ATOM 650 CB SER A 41 -5.228 -0.289 1.842 1.00 21.35 C ATOM 651 OG SER A 41 -4.802 -1.548 1.350 1.00 40.11 O ATOM 0 H SER A 41 -5.980 -1.046 -0.486 1.00 34.15 H new ATOM 0 HA SER A 41 -7.337 0.120 1.837 1.00 54.21 H new ATOM 0 HB2 SER A 41 -4.439 0.448 1.695 1.00 21.35 H new ATOM 0 HB3 SER A 41 -5.406 -0.356 2.915 1.00 21.35 H new ATOM 0 HG SER A 41 -3.984 -1.821 1.816 1.00 40.11 H new ATOM 657 N PRO A 42 -6.357 2.551 1.649 1.00 40.45 N ATOM 658 CA PRO A 42 -6.217 3.984 1.372 1.00 14.21 C ATOM 659 C PRO A 42 -4.814 4.349 0.900 1.00 53.51 C ATOM 660 O PRO A 42 -4.482 5.527 0.766 1.00 20.33 O ATOM 661 CB PRO A 42 -6.513 4.637 2.725 1.00 73.13 C ATOM 662 CG PRO A 42 -6.175 3.592 3.731 1.00 2.35 C ATOM 663 CD PRO A 42 -6.504 2.274 3.087 1.00 10.12 C ATOM 0 HA PRO A 42 -6.880 4.311 0.571 1.00 14.21 H new ATOM 0 HB2 PRO A 42 -5.913 5.536 2.871 1.00 73.13 H new ATOM 0 HB3 PRO A 42 -7.559 4.936 2.800 1.00 73.13 H new ATOM 0 HG2 PRO A 42 -5.121 3.640 4.004 1.00 2.35 H new ATOM 0 HG3 PRO A 42 -6.749 3.732 4.647 1.00 2.35 H new ATOM 0 HD2 PRO A 42 -5.827 1.486 3.416 1.00 10.12 H new ATOM 0 HD3 PRO A 42 -7.515 1.948 3.332 1.00 10.12 H new ATOM 671 N GLU A 43 -3.996 3.333 0.649 1.00 62.54 N ATOM 672 CA GLU A 43 -2.628 3.549 0.191 1.00 31.44 C ATOM 673 C GLU A 43 -2.595 4.521 -0.984 1.00 64.23 C ATOM 674 O GLU A 43 -1.677 5.332 -1.107 1.00 20.44 O ATOM 675 CB GLU A 43 -1.986 2.220 -0.213 1.00 30.11 C ATOM 676 CG GLU A 43 -2.097 1.917 -1.698 1.00 4.42 C ATOM 677 CD GLU A 43 -1.571 0.540 -2.053 1.00 44.34 C ATOM 678 OE1 GLU A 43 -1.908 0.041 -3.148 1.00 11.45 O ATOM 679 OE2 GLU A 43 -0.822 -0.038 -1.238 1.00 73.34 O ATOM 0 H GLU A 43 -4.256 2.352 0.755 1.00 62.54 H new ATOM 0 HA GLU A 43 -2.060 3.983 1.014 1.00 31.44 H new ATOM 0 HB2 GLU A 43 -0.933 2.234 0.069 1.00 30.11 H new ATOM 0 HB3 GLU A 43 -2.456 1.413 0.350 1.00 30.11 H new ATOM 0 HG2 GLU A 43 -3.141 1.993 -2.004 1.00 4.42 H new ATOM 0 HG3 GLU A 43 -1.544 2.669 -2.261 1.00 4.42 H new ATOM 686 N MET A 44 -3.602 4.432 -1.847 1.00 2.13 N ATOM 687 CA MET A 44 -3.688 5.304 -3.012 1.00 73.05 C ATOM 688 C MET A 44 -4.456 6.580 -2.681 1.00 63.03 C ATOM 689 O MET A 44 -4.293 7.605 -3.344 1.00 64.30 O ATOM 690 CB MET A 44 -4.367 4.574 -4.173 1.00 64.41 C ATOM 691 CG MET A 44 -5.788 4.132 -3.865 1.00 70.51 C ATOM 692 SD MET A 44 -7.022 5.062 -4.795 1.00 24.24 S ATOM 693 CE MET A 44 -8.513 4.637 -3.898 1.00 4.34 C ATOM 0 H MET A 44 -4.369 3.765 -1.761 1.00 2.13 H new ATOM 0 HA MET A 44 -2.674 5.577 -3.306 1.00 73.05 H new ATOM 0 HB2 MET A 44 -4.380 5.228 -5.045 1.00 64.41 H new ATOM 0 HB3 MET A 44 -3.773 3.700 -4.439 1.00 64.41 H new ATOM 0 HG2 MET A 44 -5.891 3.071 -4.092 1.00 70.51 H new ATOM 0 HG3 MET A 44 -5.978 4.250 -2.798 1.00 70.51 H new ATOM 0 HE1 MET A 44 -9.367 5.137 -4.354 1.00 4.34 H new ATOM 0 HE2 MET A 44 -8.663 3.558 -3.933 1.00 4.34 H new ATOM 0 HE3 MET A 44 -8.417 4.957 -2.860 1.00 4.34 H new ATOM 703 N LYS A 45 -5.293 6.511 -1.652 1.00 53.02 N ATOM 704 CA LYS A 45 -6.086 7.660 -1.232 1.00 2.43 C ATOM 705 C LYS A 45 -5.235 8.648 -0.440 1.00 23.34 C ATOM 706 O LYS A 45 -5.575 9.825 -0.330 1.00 44.25 O ATOM 707 CB LYS A 45 -7.276 7.203 -0.385 1.00 50.24 C ATOM 708 CG LYS A 45 -8.108 8.349 0.163 1.00 14.21 C ATOM 709 CD LYS A 45 -9.591 8.133 -0.091 1.00 42.32 C ATOM 710 CE LYS A 45 -10.394 9.393 0.194 1.00 75.21 C ATOM 711 NZ LYS A 45 -10.283 10.384 -0.912 1.00 1.23 N ATOM 0 H LYS A 45 -5.440 5.671 -1.093 1.00 53.02 H new ATOM 0 HA LYS A 45 -6.456 8.161 -2.127 1.00 2.43 H new ATOM 0 HB2 LYS A 45 -7.914 6.558 -0.989 1.00 50.24 H new ATOM 0 HB3 LYS A 45 -6.910 6.601 0.447 1.00 50.24 H new ATOM 0 HG2 LYS A 45 -7.932 8.448 1.234 1.00 14.21 H new ATOM 0 HG3 LYS A 45 -7.791 9.284 -0.300 1.00 14.21 H new ATOM 0 HD2 LYS A 45 -9.744 7.829 -1.127 1.00 42.32 H new ATOM 0 HD3 LYS A 45 -9.954 7.319 0.536 1.00 42.32 H new ATOM 0 HE2 LYS A 45 -11.441 9.130 0.342 1.00 75.21 H new ATOM 0 HE3 LYS A 45 -10.044 9.844 1.122 1.00 75.21 H new ATOM 0 HZ1 LYS A 45 -10.844 11.228 -0.679 1.00 1.23 H new ATOM 0 HZ2 LYS A 45 -9.287 10.654 -1.037 1.00 1.23 H new ATOM 0 HZ3 LYS A 45 -10.641 9.963 -1.793 1.00 1.23 H new ATOM 725 N GLU A 46 -4.127 8.159 0.110 1.00 41.52 N ATOM 726 CA GLU A 46 -3.228 9.001 0.891 1.00 63.50 C ATOM 727 C GLU A 46 -2.258 9.750 -0.017 1.00 43.54 C ATOM 728 O GLU A 46 -1.878 10.887 0.265 1.00 41.41 O ATOM 729 CB GLU A 46 -2.448 8.153 1.899 1.00 13.51 C ATOM 730 CG GLU A 46 -3.124 8.047 3.256 1.00 43.30 C ATOM 731 CD GLU A 46 -2.294 7.273 4.261 1.00 33.55 C ATOM 732 OE1 GLU A 46 -2.251 6.028 4.161 1.00 52.31 O ATOM 733 OE2 GLU A 46 -1.689 7.909 5.148 1.00 2.45 O ATOM 0 H GLU A 46 -3.831 7.186 0.029 1.00 41.52 H new ATOM 0 HA GLU A 46 -3.832 9.731 1.430 1.00 63.50 H new ATOM 0 HB2 GLU A 46 -2.312 7.152 1.491 1.00 13.51 H new ATOM 0 HB3 GLU A 46 -1.454 8.581 2.030 1.00 13.51 H new ATOM 0 HG2 GLU A 46 -3.315 9.048 3.642 1.00 43.30 H new ATOM 0 HG3 GLU A 46 -4.092 7.561 3.139 1.00 43.30 H new ATOM 740 N HIS A 47 -1.860 9.105 -1.109 1.00 42.35 N ATOM 741 CA HIS A 47 -0.934 9.710 -2.060 1.00 41.52 C ATOM 742 C HIS A 47 -1.677 10.601 -3.051 1.00 55.01 C ATOM 743 O HIS A 47 -1.255 11.724 -3.330 1.00 35.42 O ATOM 744 CB HIS A 47 -0.161 8.626 -2.812 1.00 4.53 C ATOM 745 CG HIS A 47 1.149 9.099 -3.364 1.00 71.13 C ATOM 746 ND1 HIS A 47 1.521 9.390 -4.633 1.00 14.45 N flip ATOM 747 CD2 HIS A 47 2.261 9.321 -2.580 1.00 23.42 C flip ATOM 748 CE1 HIS A 47 2.837 9.780 -4.592 1.00 53.30 C flip ATOM 749 NE2 HIS A 47 3.260 9.730 -3.341 1.00 23.35 N flip ATOM 0 H HIS A 47 -2.164 8.164 -1.357 1.00 42.35 H new ATOM 0 HA HIS A 47 -0.230 10.327 -1.501 1.00 41.52 H new ATOM 0 HB2 HIS A 47 0.019 7.787 -2.140 1.00 4.53 H new ATOM 0 HB3 HIS A 47 -0.777 8.253 -3.630 1.00 4.53 H new ATOM 0 HD2 HIS A 47 2.308 9.182 -1.510 1.00 23.42 H new ATOM 0 HE1 HIS A 47 3.430 10.079 -5.444 1.00 53.30 H new ATOM 0 HE2 HIS A 47 4.198 9.967 -3.018 1.00 23.35 H new ATOM 757 N TYR A 48 -2.785 10.093 -3.580 1.00 61.21 N ATOM 758 CA TYR A 48 -3.585 10.841 -4.542 1.00 72.23 C ATOM 759 C TYR A 48 -3.936 12.223 -4.001 1.00 53.41 C ATOM 760 O TYR A 48 -4.214 13.148 -4.764 1.00 63.12 O ATOM 761 CB TYR A 48 -4.864 10.073 -4.880 1.00 34.04 C ATOM 762 CG TYR A 48 -4.680 9.036 -5.965 1.00 12.51 C ATOM 763 CD1 TYR A 48 -5.762 8.580 -6.708 1.00 12.32 C ATOM 764 CD2 TYR A 48 -3.425 8.513 -6.247 1.00 23.31 C ATOM 765 CE1 TYR A 48 -5.599 7.633 -7.700 1.00 21.11 C ATOM 766 CE2 TYR A 48 -3.252 7.566 -7.238 1.00 42.21 C ATOM 767 CZ TYR A 48 -4.342 7.129 -7.962 1.00 2.34 C ATOM 768 OH TYR A 48 -4.174 6.186 -8.949 1.00 21.51 O ATOM 0 H TYR A 48 -3.149 9.166 -3.359 1.00 61.21 H new ATOM 0 HA TYR A 48 -2.994 10.966 -5.449 1.00 72.23 H new ATOM 0 HB2 TYR A 48 -5.232 9.582 -3.979 1.00 34.04 H new ATOM 0 HB3 TYR A 48 -5.631 10.781 -5.193 1.00 34.04 H new ATOM 0 HD1 TYR A 48 -6.748 8.973 -6.506 1.00 12.32 H new ATOM 0 HD2 TYR A 48 -2.569 8.852 -5.682 1.00 23.31 H new ATOM 0 HE1 TYR A 48 -6.451 7.289 -8.267 1.00 21.11 H new ATOM 0 HE2 TYR A 48 -2.269 7.170 -7.445 1.00 42.21 H new ATOM 0 HH TYR A 48 -4.849 6.319 -9.647 1.00 21.51 H new ATOM 778 N GLU A 49 -3.921 12.355 -2.678 1.00 51.33 N ATOM 779 CA GLU A 49 -4.238 13.625 -2.034 1.00 61.42 C ATOM 780 C GLU A 49 -3.293 14.726 -2.508 1.00 34.33 C ATOM 781 O GLU A 49 -3.595 15.913 -2.387 1.00 12.21 O ATOM 782 CB GLU A 49 -4.154 13.485 -0.513 1.00 20.22 C ATOM 783 CG GLU A 49 -5.454 13.813 0.201 1.00 13.32 C ATOM 784 CD GLU A 49 -5.524 13.213 1.592 1.00 1.10 C ATOM 785 OE1 GLU A 49 -5.410 13.977 2.573 1.00 4.05 O ATOM 786 OE2 GLU A 49 -5.692 11.981 1.699 1.00 33.42 O ATOM 0 H GLU A 49 -3.693 11.599 -2.032 1.00 51.33 H new ATOM 0 HA GLU A 49 -5.256 13.900 -2.311 1.00 61.42 H new ATOM 0 HB2 GLU A 49 -3.861 12.464 -0.266 1.00 20.22 H new ATOM 0 HB3 GLU A 49 -3.368 14.141 -0.139 1.00 20.22 H new ATOM 0 HG2 GLU A 49 -5.563 14.895 0.271 1.00 13.32 H new ATOM 0 HG3 GLU A 49 -6.292 13.446 -0.391 1.00 13.32 H new ATOM 793 N LYS A 50 -2.148 14.323 -3.047 1.00 22.22 N ATOM 794 CA LYS A 50 -1.158 15.273 -3.540 1.00 23.12 C ATOM 795 C LYS A 50 -1.416 15.618 -5.003 1.00 62.41 C ATOM 796 O LYS A 50 -0.980 16.661 -5.492 1.00 34.54 O ATOM 797 CB LYS A 50 0.252 14.700 -3.381 1.00 5.13 C ATOM 798 CG LYS A 50 1.236 15.671 -2.750 1.00 33.20 C ATOM 799 CD LYS A 50 2.648 15.111 -2.748 1.00 4.12 C ATOM 800 CE LYS A 50 3.540 15.851 -1.762 1.00 54.01 C ATOM 801 NZ LYS A 50 3.700 15.099 -0.487 1.00 64.20 N ATOM 0 H LYS A 50 -1.882 13.344 -3.154 1.00 22.22 H new ATOM 0 HA LYS A 50 -1.242 16.186 -2.950 1.00 23.12 H new ATOM 0 HB2 LYS A 50 0.202 13.798 -2.770 1.00 5.13 H new ATOM 0 HB3 LYS A 50 0.626 14.401 -4.360 1.00 5.13 H new ATOM 0 HG2 LYS A 50 1.218 16.614 -3.296 1.00 33.20 H new ATOM 0 HG3 LYS A 50 0.929 15.889 -1.727 1.00 33.20 H new ATOM 0 HD2 LYS A 50 2.620 14.052 -2.491 1.00 4.12 H new ATOM 0 HD3 LYS A 50 3.071 15.185 -3.750 1.00 4.12 H new ATOM 0 HE2 LYS A 50 4.519 16.016 -2.211 1.00 54.01 H new ATOM 0 HE3 LYS A 50 3.115 16.833 -1.554 1.00 54.01 H new ATOM 0 HZ1 LYS A 50 4.314 15.636 0.158 1.00 64.20 H new ATOM 0 HZ2 LYS A 50 2.769 14.963 -0.045 1.00 64.20 H new ATOM 0 HZ3 LYS A 50 4.129 14.172 -0.682 1.00 64.20 H new ATOM 815 N PHE A 51 -2.127 14.736 -5.697 1.00 75.13 N ATOM 816 CA PHE A 51 -2.444 14.947 -7.105 1.00 40.50 C ATOM 817 C PHE A 51 -3.707 15.790 -7.258 1.00 1.22 C ATOM 818 O PHE A 51 -3.845 16.551 -8.215 1.00 73.20 O ATOM 819 CB PHE A 51 -2.624 13.605 -7.817 1.00 21.14 C ATOM 820 CG PHE A 51 -2.182 13.623 -9.252 1.00 3.21 C ATOM 821 CD1 PHE A 51 -2.859 14.386 -10.190 1.00 4.24 C ATOM 822 CD2 PHE A 51 -1.089 12.877 -9.663 1.00 72.14 C ATOM 823 CE1 PHE A 51 -2.454 14.406 -11.511 1.00 70.41 C ATOM 824 CE2 PHE A 51 -0.680 12.893 -10.983 1.00 63.34 C ATOM 825 CZ PHE A 51 -1.364 13.657 -11.909 1.00 23.14 C ATOM 0 H PHE A 51 -2.495 13.868 -5.308 1.00 75.13 H new ATOM 0 HA PHE A 51 -1.612 15.484 -7.562 1.00 40.50 H new ATOM 0 HB2 PHE A 51 -2.061 12.840 -7.282 1.00 21.14 H new ATOM 0 HB3 PHE A 51 -3.674 13.317 -7.772 1.00 21.14 H new ATOM 0 HD1 PHE A 51 -3.713 14.972 -9.885 1.00 4.24 H new ATOM 0 HD2 PHE A 51 -0.551 12.277 -8.944 1.00 72.14 H new ATOM 0 HE1 PHE A 51 -2.989 15.007 -12.231 1.00 70.41 H new ATOM 0 HE2 PHE A 51 0.174 12.308 -11.291 1.00 63.34 H new ATOM 0 HZ PHE A 51 -1.047 13.668 -12.941 1.00 23.14 H new ATOM 835 N GLU A 52 -4.625 15.647 -6.307 1.00 50.40 N ATOM 836 CA GLU A 52 -5.877 16.394 -6.337 1.00 10.32 C ATOM 837 C GLU A 52 -5.613 17.896 -6.410 1.00 34.42 C ATOM 838 O GLU A 52 -6.424 18.655 -6.941 1.00 43.03 O ATOM 839 CB GLU A 52 -6.718 16.073 -5.100 1.00 31.43 C ATOM 840 CG GLU A 52 -6.025 16.406 -3.789 1.00 73.12 C ATOM 841 CD GLU A 52 -6.971 17.000 -2.764 1.00 13.50 C ATOM 842 OE1 GLU A 52 -6.827 16.677 -1.566 1.00 62.34 O ATOM 843 OE2 GLU A 52 -7.856 17.789 -3.159 1.00 24.34 O ATOM 0 H GLU A 52 -4.525 15.022 -5.507 1.00 50.40 H new ATOM 0 HA GLU A 52 -6.427 16.095 -7.229 1.00 10.32 H new ATOM 0 HB2 GLU A 52 -7.656 16.625 -5.156 1.00 31.43 H new ATOM 0 HB3 GLU A 52 -6.971 15.013 -5.108 1.00 31.43 H new ATOM 0 HG2 GLU A 52 -5.574 15.502 -3.381 1.00 73.12 H new ATOM 0 HG3 GLU A 52 -5.214 17.109 -3.979 1.00 73.12 H new ATOM 850 N LYS A 53 -4.474 18.317 -5.871 1.00 52.03 N ATOM 851 CA LYS A 53 -4.101 19.727 -5.875 1.00 31.54 C ATOM 852 C LYS A 53 -3.495 20.126 -7.216 1.00 74.24 C ATOM 853 O LYS A 53 -3.489 21.302 -7.579 1.00 64.33 O ATOM 854 CB LYS A 53 -3.106 20.015 -4.748 1.00 72.31 C ATOM 855 CG LYS A 53 -3.766 20.268 -3.404 1.00 32.13 C ATOM 856 CD LYS A 53 -3.919 21.754 -3.129 1.00 4.55 C ATOM 857 CE LYS A 53 -2.729 22.303 -2.355 1.00 73.10 C ATOM 858 NZ LYS A 53 -3.100 22.684 -0.964 1.00 33.40 N ATOM 0 H LYS A 53 -3.793 17.702 -5.426 1.00 52.03 H new ATOM 0 HA LYS A 53 -5.004 20.316 -5.715 1.00 31.54 H new ATOM 0 HB2 LYS A 53 -2.422 19.172 -4.654 1.00 72.31 H new ATOM 0 HB3 LYS A 53 -2.506 20.884 -5.018 1.00 72.31 H new ATOM 0 HG2 LYS A 53 -4.746 19.790 -3.383 1.00 32.13 H new ATOM 0 HG3 LYS A 53 -3.171 19.810 -2.614 1.00 32.13 H new ATOM 0 HD2 LYS A 53 -4.020 22.291 -4.072 1.00 4.55 H new ATOM 0 HD3 LYS A 53 -4.834 21.928 -2.563 1.00 4.55 H new ATOM 0 HE2 LYS A 53 -1.937 21.555 -2.328 1.00 73.10 H new ATOM 0 HE3 LYS A 53 -2.328 23.173 -2.875 1.00 73.10 H new ATOM 0 HZ1 LYS A 53 -2.263 23.053 -0.470 1.00 33.40 H new ATOM 0 HZ2 LYS A 53 -3.838 23.417 -0.990 1.00 33.40 H new ATOM 0 HZ3 LYS A 53 -3.459 21.849 -0.459 1.00 33.40 H new ATOM 872 N MET A 54 -2.989 19.139 -7.949 1.00 53.31 N ATOM 873 CA MET A 54 -2.384 19.389 -9.252 1.00 71.33 C ATOM 874 C MET A 54 -3.444 19.406 -10.349 1.00 42.34 C ATOM 875 O MET A 54 -3.230 19.971 -11.422 1.00 41.53 O ATOM 876 CB MET A 54 -1.331 18.323 -9.562 1.00 2.14 C ATOM 877 CG MET A 54 0.007 18.899 -9.997 1.00 54.25 C ATOM 878 SD MET A 54 1.382 18.293 -9.001 1.00 71.25 S ATOM 879 CE MET A 54 1.406 19.506 -7.684 1.00 23.22 C ATOM 0 H MET A 54 -2.986 18.160 -7.663 1.00 53.31 H new ATOM 0 HA MET A 54 -1.903 20.367 -9.220 1.00 71.33 H new ATOM 0 HB2 MET A 54 -1.181 17.704 -8.677 1.00 2.14 H new ATOM 0 HB3 MET A 54 -1.708 17.669 -10.348 1.00 2.14 H new ATOM 0 HG2 MET A 54 0.183 18.648 -11.043 1.00 54.25 H new ATOM 0 HG3 MET A 54 -0.032 19.986 -9.932 1.00 54.25 H new ATOM 0 HE1 MET A 54 2.206 19.267 -6.984 1.00 23.22 H new ATOM 0 HE2 MET A 54 1.576 20.497 -8.105 1.00 23.22 H new ATOM 0 HE3 MET A 54 0.450 19.494 -7.160 1.00 23.22 H new ATOM 889 N ILE A 55 -4.585 18.784 -10.073 1.00 51.55 N ATOM 890 CA ILE A 55 -5.677 18.730 -11.037 1.00 52.22 C ATOM 891 C ILE A 55 -6.588 19.946 -10.905 1.00 41.21 C ATOM 892 O ILE A 55 -6.972 20.557 -11.902 1.00 71.42 O ATOM 893 CB ILE A 55 -6.518 17.452 -10.864 1.00 33.24 C ATOM 894 CG1 ILE A 55 -7.721 17.474 -11.809 1.00 62.14 C ATOM 895 CG2 ILE A 55 -6.976 17.311 -9.420 1.00 22.25 C ATOM 896 CD1 ILE A 55 -8.342 16.112 -12.029 1.00 11.23 C ATOM 0 H ILE A 55 -4.777 18.311 -9.190 1.00 51.55 H new ATOM 0 HA ILE A 55 -5.223 18.725 -12.028 1.00 52.22 H new ATOM 0 HB ILE A 55 -5.898 16.591 -11.115 1.00 33.24 H new ATOM 0 HG12 ILE A 55 -8.477 18.148 -11.406 1.00 62.14 H new ATOM 0 HG13 ILE A 55 -7.410 17.882 -12.771 1.00 62.14 H new ATOM 0 HG21 ILE A 55 -7.569 16.403 -9.314 1.00 22.25 H new ATOM 0 HG22 ILE A 55 -6.106 17.255 -8.766 1.00 22.25 H new ATOM 0 HG23 ILE A 55 -7.581 18.174 -9.144 1.00 22.25 H new ATOM 0 HD11 ILE A 55 -9.189 16.204 -12.709 1.00 11.23 H new ATOM 0 HD12 ILE A 55 -7.601 15.440 -12.461 1.00 11.23 H new ATOM 0 HD13 ILE A 55 -8.684 15.710 -11.075 1.00 11.23 H new ATOM 908 N GLN A 56 -6.927 20.293 -9.668 1.00 35.33 N ATOM 909 CA GLN A 56 -7.792 21.437 -9.406 1.00 12.05 C ATOM 910 C GLN A 56 -7.042 22.747 -9.623 1.00 13.12 C ATOM 911 O GLN A 56 -7.641 23.822 -9.624 1.00 3.32 O ATOM 912 CB GLN A 56 -8.334 21.377 -7.976 1.00 70.23 C ATOM 913 CG GLN A 56 -9.590 20.531 -7.837 1.00 3.32 C ATOM 914 CD GLN A 56 -9.626 19.750 -6.538 1.00 62.12 C ATOM 915 OE1 GLN A 56 -9.227 20.252 -5.487 1.00 20.21 O ATOM 916 NE2 GLN A 56 -10.106 18.513 -6.604 1.00 44.52 N ATOM 0 H GLN A 56 -6.616 19.799 -8.832 1.00 35.33 H new ATOM 0 HA GLN A 56 -8.627 21.397 -10.106 1.00 12.05 H new ATOM 0 HB2 GLN A 56 -7.561 20.976 -7.320 1.00 70.23 H new ATOM 0 HB3 GLN A 56 -8.548 22.390 -7.635 1.00 70.23 H new ATOM 0 HG2 GLN A 56 -10.466 21.177 -7.893 1.00 3.32 H new ATOM 0 HG3 GLN A 56 -9.651 19.837 -8.676 1.00 3.32 H new ATOM 0 HE21 GLN A 56 -10.426 18.137 -7.497 1.00 44.52 H new ATOM 0 HE22 GLN A 56 -10.155 17.939 -5.762 1.00 44.52 H new ATOM 925 N GLU A 57 -5.729 22.648 -9.806 1.00 53.52 N ATOM 926 CA GLU A 57 -4.898 23.827 -10.023 1.00 73.12 C ATOM 927 C GLU A 57 -5.050 24.344 -11.451 1.00 24.10 C ATOM 928 O GLU A 57 -5.161 25.549 -11.678 1.00 75.03 O ATOM 929 CB GLU A 57 -3.430 23.502 -9.739 1.00 52.35 C ATOM 930 CG GLU A 57 -2.473 24.613 -10.138 1.00 52.04 C ATOM 931 CD GLU A 57 -1.134 24.511 -9.434 1.00 34.42 C ATOM 932 OE1 GLU A 57 -0.963 25.171 -8.388 1.00 34.15 O ATOM 933 OE2 GLU A 57 -0.258 23.771 -9.928 1.00 51.10 O ATOM 0 H GLU A 57 -5.218 21.765 -9.808 1.00 53.52 H new ATOM 0 HA GLU A 57 -5.229 24.606 -9.336 1.00 73.12 H new ATOM 0 HB2 GLU A 57 -3.311 23.296 -8.675 1.00 52.35 H new ATOM 0 HB3 GLU A 57 -3.158 22.591 -10.272 1.00 52.35 H new ATOM 0 HG2 GLU A 57 -2.316 24.582 -11.216 1.00 52.04 H new ATOM 0 HG3 GLU A 57 -2.927 25.577 -9.910 1.00 52.04 H new ATOM 940 N HIS A 58 -5.051 23.424 -12.410 1.00 74.42 N ATOM 941 CA HIS A 58 -5.189 23.785 -13.817 1.00 2.55 C ATOM 942 C HIS A 58 -4.899 22.588 -14.716 1.00 42.15 C ATOM 943 O HIS A 58 -4.052 22.658 -15.608 1.00 51.11 O ATOM 944 CB HIS A 58 -4.246 24.939 -14.163 1.00 32.53 C ATOM 945 CG HIS A 58 -4.957 26.217 -14.483 1.00 2.50 C ATOM 946 ND1 HIS A 58 -6.080 26.275 -15.281 1.00 31.14 N ATOM 947 CD2 HIS A 58 -4.699 27.492 -14.107 1.00 21.24 C ATOM 948 CE1 HIS A 58 -6.481 27.529 -15.383 1.00 13.54 C ATOM 949 NE2 HIS A 58 -5.660 28.288 -14.679 1.00 33.01 N ATOM 0 H HIS A 58 -4.958 22.423 -12.239 1.00 74.42 H new ATOM 0 HA HIS A 58 -6.218 24.103 -13.987 1.00 2.55 H new ATOM 0 HB2 HIS A 58 -3.570 25.109 -13.325 1.00 32.53 H new ATOM 0 HB3 HIS A 58 -3.631 24.652 -15.016 1.00 32.53 H new ATOM 0 HD2 HIS A 58 -3.888 27.821 -13.475 1.00 21.24 H new ATOM 0 HE1 HIS A 58 -7.335 27.875 -15.946 1.00 13.54 H new ATOM 0 HE2 HIS A 58 -5.729 29.301 -14.577 1.00 33.01 H new ATOM 957 N THR A 59 -5.606 21.488 -14.477 1.00 14.43 N ATOM 958 CA THR A 59 -5.424 20.275 -15.264 1.00 2.34 C ATOM 959 C THR A 59 -6.278 20.305 -16.526 1.00 22.01 C ATOM 960 O THR A 59 -5.883 19.779 -17.567 1.00 4.53 O ATOM 961 CB THR A 59 -5.778 19.018 -14.447 1.00 64.35 C ATOM 962 OG1 THR A 59 -4.584 18.308 -14.099 1.00 62.10 O ATOM 963 CG2 THR A 59 -6.705 18.105 -15.235 1.00 60.31 C ATOM 0 H THR A 59 -6.311 21.412 -13.744 1.00 14.43 H new ATOM 0 HA THR A 59 -4.371 20.234 -15.543 1.00 2.34 H new ATOM 0 HB THR A 59 -6.290 19.334 -13.538 1.00 64.35 H new ATOM 0 HG1 THR A 59 -3.874 18.948 -13.885 1.00 62.10 H new ATOM 0 HG21 THR A 59 -6.941 17.224 -14.638 1.00 60.31 H new ATOM 0 HG22 THR A 59 -7.625 18.639 -15.474 1.00 60.31 H new ATOM 0 HG23 THR A 59 -6.214 17.797 -16.158 1.00 60.31 H new ATOM 971 N ASP A 60 -7.450 20.923 -16.427 1.00 64.13 N ATOM 972 CA ASP A 60 -8.359 21.023 -17.563 1.00 34.34 C ATOM 973 C ASP A 60 -7.627 21.524 -18.803 1.00 61.35 C ATOM 974 O ASP A 60 -7.936 21.121 -19.925 1.00 62.12 O ATOM 975 CB ASP A 60 -9.523 21.957 -17.230 1.00 54.51 C ATOM 976 CG ASP A 60 -10.436 22.191 -18.418 1.00 60.10 C ATOM 977 OD1 ASP A 60 -11.308 21.334 -18.674 1.00 51.20 O ATOM 978 OD2 ASP A 60 -10.279 23.231 -19.091 1.00 63.42 O ATOM 0 H ASP A 60 -7.793 21.362 -15.572 1.00 64.13 H new ATOM 0 HA ASP A 60 -8.750 20.027 -17.773 1.00 34.34 H new ATOM 0 HB2 ASP A 60 -10.101 21.533 -16.409 1.00 54.51 H new ATOM 0 HB3 ASP A 60 -9.130 22.913 -16.883 1.00 54.51 H new ATOM 983 N LYS A 61 -6.655 22.406 -18.595 1.00 32.41 N ATOM 984 CA LYS A 61 -5.878 22.963 -19.695 1.00 63.44 C ATOM 985 C LYS A 61 -4.707 22.051 -20.050 1.00 50.43 C ATOM 986 O LYS A 61 -4.334 21.930 -21.217 1.00 61.53 O ATOM 987 CB LYS A 61 -5.361 24.355 -19.328 1.00 44.31 C ATOM 988 CG LYS A 61 -4.581 25.029 -20.444 1.00 73.24 C ATOM 989 CD LYS A 61 -4.567 26.539 -20.282 1.00 12.52 C ATOM 990 CE LYS A 61 -5.790 27.180 -20.919 1.00 55.15 C ATOM 991 NZ LYS A 61 -5.496 28.546 -21.434 1.00 54.14 N ATOM 0 H LYS A 61 -6.387 22.751 -17.673 1.00 32.41 H new ATOM 0 HA LYS A 61 -6.531 23.043 -20.564 1.00 63.44 H new ATOM 0 HB2 LYS A 61 -6.206 24.987 -19.054 1.00 44.31 H new ATOM 0 HB3 LYS A 61 -4.724 24.276 -18.447 1.00 44.31 H new ATOM 0 HG2 LYS A 61 -3.558 24.654 -20.452 1.00 73.24 H new ATOM 0 HG3 LYS A 61 -5.023 24.770 -21.406 1.00 73.24 H new ATOM 0 HD2 LYS A 61 -4.533 26.792 -19.222 1.00 12.52 H new ATOM 0 HD3 LYS A 61 -3.664 26.946 -20.736 1.00 12.52 H new ATOM 0 HE2 LYS A 61 -6.145 26.552 -21.737 1.00 55.15 H new ATOM 0 HE3 LYS A 61 -6.595 27.234 -20.186 1.00 55.15 H new ATOM 0 HZ1 LYS A 61 -6.355 28.949 -21.860 1.00 54.14 H new ATOM 0 HZ2 LYS A 61 -5.182 29.153 -20.650 1.00 54.14 H new ATOM 0 HZ3 LYS A 61 -4.746 28.492 -22.152 1.00 54.14 H new ATOM 1005 N PHE A 62 -4.132 21.412 -19.037 1.00 12.21 N ATOM 1006 CA PHE A 62 -3.004 20.511 -19.242 1.00 50.45 C ATOM 1007 C PHE A 62 -3.462 19.204 -19.882 1.00 23.31 C ATOM 1008 O PHE A 62 -3.056 18.869 -20.994 1.00 51.10 O ATOM 1009 CB PHE A 62 -2.304 20.224 -17.912 1.00 54.33 C ATOM 1010 CG PHE A 62 -0.808 20.159 -18.024 1.00 60.10 C ATOM 1011 CD1 PHE A 62 -0.002 20.785 -17.087 1.00 30.21 C ATOM 1012 CD2 PHE A 62 -0.207 19.472 -19.067 1.00 33.34 C ATOM 1013 CE1 PHE A 62 1.375 20.726 -17.186 1.00 44.35 C ATOM 1014 CE2 PHE A 62 1.169 19.409 -19.171 1.00 44.41 C ATOM 1015 CZ PHE A 62 1.962 20.038 -18.231 1.00 13.43 C ATOM 0 H PHE A 62 -4.429 21.501 -18.065 1.00 12.21 H new ATOM 0 HA PHE A 62 -2.300 20.998 -19.916 1.00 50.45 H new ATOM 0 HB2 PHE A 62 -2.573 20.999 -17.194 1.00 54.33 H new ATOM 0 HB3 PHE A 62 -2.672 19.279 -17.513 1.00 54.33 H new ATOM 0 HD1 PHE A 62 -0.455 21.326 -16.269 1.00 30.21 H new ATOM 0 HD2 PHE A 62 -0.821 18.980 -19.807 1.00 33.34 H new ATOM 0 HE1 PHE A 62 1.992 21.217 -16.448 1.00 44.35 H new ATOM 0 HE2 PHE A 62 1.625 18.868 -19.987 1.00 44.41 H new ATOM 0 HZ PHE A 62 3.038 19.992 -18.312 1.00 13.43 H new ATOM 1025 N ASN A 63 -4.309 18.468 -19.169 1.00 52.44 N ATOM 1026 CA ASN A 63 -4.822 17.197 -19.666 1.00 22.41 C ATOM 1027 C ASN A 63 -5.295 17.328 -21.110 1.00 72.54 C ATOM 1028 O ASN A 63 -5.161 16.398 -21.906 1.00 70.24 O ATOM 1029 CB ASN A 63 -5.971 16.707 -18.783 1.00 74.31 C ATOM 1030 CG ASN A 63 -6.714 15.536 -19.398 1.00 24.45 C ATOM 1031 OD1 ASN A 63 -7.944 15.525 -19.451 1.00 25.01 O ATOM 1032 ND2 ASN A 63 -5.967 14.542 -19.865 1.00 32.31 N ATOM 0 H ASN A 63 -4.654 18.730 -18.246 1.00 52.44 H new ATOM 0 HA ASN A 63 -4.012 16.469 -19.633 1.00 22.41 H new ATOM 0 HB2 ASN A 63 -5.578 16.414 -17.810 1.00 74.31 H new ATOM 0 HB3 ASN A 63 -6.669 17.527 -18.611 1.00 74.31 H new ATOM 0 HD21 ASN A 63 -6.410 13.727 -20.289 1.00 32.31 H new ATOM 0 HD22 ASN A 63 -4.950 14.594 -19.800 1.00 32.31 H new ATOM 1039 N LYS A 64 -5.849 18.489 -21.443 1.00 33.44 N ATOM 1040 CA LYS A 64 -6.341 18.744 -22.791 1.00 74.01 C ATOM 1041 C LYS A 64 -5.208 18.660 -23.809 1.00 13.12 C ATOM 1042 O LYS A 64 -5.378 18.115 -24.899 1.00 74.35 O ATOM 1043 CB LYS A 64 -7.004 20.122 -22.862 1.00 61.30 C ATOM 1044 CG LYS A 64 -7.719 20.386 -24.176 1.00 21.12 C ATOM 1045 CD LYS A 64 -9.220 20.512 -23.978 1.00 72.40 C ATOM 1046 CE LYS A 64 -9.829 19.206 -23.490 1.00 14.20 C ATOM 1047 NZ LYS A 64 -11.314 19.208 -23.610 1.00 22.15 N ATOM 0 H LYS A 64 -5.968 19.269 -20.797 1.00 33.44 H new ATOM 0 HA LYS A 64 -7.079 17.979 -23.032 1.00 74.01 H new ATOM 0 HB2 LYS A 64 -7.719 20.215 -22.044 1.00 61.30 H new ATOM 0 HB3 LYS A 64 -6.245 20.889 -22.710 1.00 61.30 H new ATOM 0 HG2 LYS A 64 -7.332 21.301 -24.624 1.00 21.12 H new ATOM 0 HG3 LYS A 64 -7.510 19.576 -24.874 1.00 21.12 H new ATOM 0 HD2 LYS A 64 -9.428 21.303 -23.258 1.00 72.40 H new ATOM 0 HD3 LYS A 64 -9.689 20.805 -24.917 1.00 72.40 H new ATOM 0 HE2 LYS A 64 -9.419 18.376 -24.066 1.00 14.20 H new ATOM 0 HE3 LYS A 64 -9.549 19.041 -22.450 1.00 14.20 H new ATOM 0 HZ1 LYS A 64 -11.691 18.301 -23.268 1.00 22.15 H new ATOM 0 HZ2 LYS A 64 -11.707 19.984 -23.040 1.00 22.15 H new ATOM 0 HZ3 LYS A 64 -11.582 19.340 -24.606 1.00 22.15 H new ATOM 1061 N LYS A 65 -4.051 19.202 -23.445 1.00 51.41 N ATOM 1062 CA LYS A 65 -2.888 19.187 -24.325 1.00 33.24 C ATOM 1063 C LYS A 65 -2.142 17.861 -24.216 1.00 41.03 C ATOM 1064 O LYS A 65 -1.815 17.238 -25.226 1.00 43.30 O ATOM 1065 CB LYS A 65 -1.947 20.344 -23.980 1.00 73.44 C ATOM 1066 CG LYS A 65 -2.671 21.613 -23.564 1.00 25.43 C ATOM 1067 CD LYS A 65 -2.247 22.800 -24.412 1.00 3.03 C ATOM 1068 CE LYS A 65 -3.164 22.984 -25.611 1.00 10.21 C ATOM 1069 NZ LYS A 65 -2.474 23.672 -26.737 1.00 3.22 N ATOM 0 H LYS A 65 -3.893 19.657 -22.546 1.00 51.41 H new ATOM 0 HA LYS A 65 -3.237 19.305 -25.351 1.00 33.24 H new ATOM 0 HB2 LYS A 65 -1.283 20.033 -23.173 1.00 73.44 H new ATOM 0 HB3 LYS A 65 -1.319 20.561 -24.844 1.00 73.44 H new ATOM 0 HG2 LYS A 65 -3.747 21.466 -23.655 1.00 25.43 H new ATOM 0 HG3 LYS A 65 -2.466 21.823 -22.514 1.00 25.43 H new ATOM 0 HD2 LYS A 65 -2.256 23.705 -23.804 1.00 3.03 H new ATOM 0 HD3 LYS A 65 -1.222 22.656 -24.755 1.00 3.03 H new ATOM 0 HE2 LYS A 65 -3.524 22.011 -25.946 1.00 10.21 H new ATOM 0 HE3 LYS A 65 -4.039 23.562 -25.314 1.00 10.21 H new ATOM 0 HZ1 LYS A 65 -3.133 23.778 -27.535 1.00 3.22 H new ATOM 0 HZ2 LYS A 65 -2.153 24.611 -26.426 1.00 3.22 H new ATOM 0 HZ3 LYS A 65 -1.654 23.108 -27.038 1.00 3.22 H new ATOM 1083 N MET A 66 -1.877 17.435 -22.986 1.00 33.14 N ATOM 1084 CA MET A 66 -1.172 16.181 -22.747 1.00 1.14 C ATOM 1085 C MET A 66 -2.006 14.991 -23.209 1.00 55.01 C ATOM 1086 O MET A 66 -1.515 13.864 -23.275 1.00 3.33 O ATOM 1087 CB MET A 66 -0.835 16.036 -21.261 1.00 43.04 C ATOM 1088 CG MET A 66 0.463 16.720 -20.863 1.00 63.53 C ATOM 1089 SD MET A 66 1.915 15.922 -21.576 1.00 1.13 S ATOM 1090 CE MET A 66 2.359 17.102 -22.848 1.00 71.34 C ATOM 0 H MET A 66 -2.140 17.939 -22.139 1.00 33.14 H new ATOM 0 HA MET A 66 -0.247 16.198 -23.323 1.00 1.14 H new ATOM 0 HB2 MET A 66 -1.651 16.451 -20.670 1.00 43.04 H new ATOM 0 HB3 MET A 66 -0.769 14.977 -21.014 1.00 43.04 H new ATOM 0 HG2 MET A 66 0.433 17.762 -21.181 1.00 63.53 H new ATOM 0 HG3 MET A 66 0.550 16.721 -19.777 1.00 63.53 H new ATOM 0 HE1 MET A 66 2.704 16.569 -23.734 1.00 71.34 H new ATOM 0 HE2 MET A 66 1.488 17.706 -23.104 1.00 71.34 H new ATOM 0 HE3 MET A 66 3.155 17.750 -22.481 1.00 71.34 H new ATOM 1100 N ARG A 67 -3.271 15.249 -23.528 1.00 64.33 N ATOM 1101 CA ARG A 67 -4.173 14.198 -23.983 1.00 52.01 C ATOM 1102 C ARG A 67 -3.581 13.450 -25.174 1.00 41.41 C ATOM 1103 O ARG A 67 -3.935 12.301 -25.436 1.00 13.51 O ATOM 1104 CB ARG A 67 -5.531 14.792 -24.364 1.00 24.11 C ATOM 1105 CG ARG A 67 -6.391 13.859 -25.201 1.00 25.34 C ATOM 1106 CD ARG A 67 -7.867 14.199 -25.074 1.00 52.04 C ATOM 1107 NE ARG A 67 -8.717 13.028 -25.268 1.00 74.52 N ATOM 1108 CZ ARG A 67 -10.017 13.009 -24.992 1.00 63.44 C ATOM 1109 NH1 ARG A 67 -10.612 14.092 -24.514 1.00 0.41 N ATOM 1110 NH2 ARG A 67 -10.723 11.904 -25.196 1.00 14.12 N ATOM 0 H ARG A 67 -3.694 16.176 -23.480 1.00 64.33 H new ATOM 0 HA ARG A 67 -4.309 13.492 -23.164 1.00 52.01 H new ATOM 0 HB2 ARG A 67 -6.072 15.053 -23.454 1.00 24.11 H new ATOM 0 HB3 ARG A 67 -5.371 15.718 -24.916 1.00 24.11 H new ATOM 0 HG2 ARG A 67 -6.090 13.925 -26.247 1.00 25.34 H new ATOM 0 HG3 ARG A 67 -6.225 12.829 -24.886 1.00 25.34 H new ATOM 0 HD2 ARG A 67 -8.057 14.626 -24.089 1.00 52.04 H new ATOM 0 HD3 ARG A 67 -8.128 14.962 -25.808 1.00 52.04 H new ATOM 0 HE ARG A 67 -8.290 12.178 -25.636 1.00 74.52 H new ATOM 0 HH11 ARG A 67 -10.072 14.943 -24.357 1.00 0.41 H new ATOM 0 HH12 ARG A 67 -11.610 14.075 -24.303 1.00 0.41 H new ATOM 0 HH21 ARG A 67 -10.268 11.069 -25.565 1.00 14.12 H new ATOM 0 HH22 ARG A 67 -11.721 11.890 -24.984 1.00 14.12 H new ATOM 1124 N GLU A 68 -2.678 14.111 -25.892 1.00 2.44 N ATOM 1125 CA GLU A 68 -2.038 13.509 -27.055 1.00 50.03 C ATOM 1126 C GLU A 68 -1.278 12.245 -26.665 1.00 31.42 C ATOM 1127 O GLU A 68 -1.200 11.290 -27.439 1.00 20.24 O ATOM 1128 CB GLU A 68 -1.084 14.507 -27.714 1.00 51.44 C ATOM 1129 CG GLU A 68 -1.761 15.422 -28.722 1.00 21.14 C ATOM 1130 CD GLU A 68 -0.770 16.256 -29.510 1.00 50.20 C ATOM 1131 OE1 GLU A 68 -1.134 16.729 -30.607 1.00 71.44 O ATOM 1132 OE2 GLU A 68 0.369 16.436 -29.030 1.00 53.55 O ATOM 0 H GLU A 68 -2.374 15.063 -25.688 1.00 2.44 H new ATOM 0 HA GLU A 68 -2.818 13.238 -27.767 1.00 50.03 H new ATOM 0 HB2 GLU A 68 -0.617 15.116 -26.940 1.00 51.44 H new ATOM 0 HB3 GLU A 68 -0.285 13.958 -28.213 1.00 51.44 H new ATOM 0 HG2 GLU A 68 -2.354 14.821 -29.412 1.00 21.14 H new ATOM 0 HG3 GLU A 68 -2.452 16.083 -28.200 1.00 21.14 H new ATOM 1139 N HIS A 69 -0.719 12.246 -25.459 1.00 3.00 N ATOM 1140 CA HIS A 69 0.035 11.099 -24.965 1.00 4.53 C ATOM 1141 C HIS A 69 -0.790 10.298 -23.963 1.00 23.43 C ATOM 1142 O HIS A 69 -0.448 9.163 -23.630 1.00 75.42 O ATOM 1143 CB HIS A 69 1.340 11.562 -24.315 1.00 13.13 C ATOM 1144 CG HIS A 69 2.496 11.618 -25.265 1.00 53.34 C ATOM 1145 ND1 HIS A 69 3.465 12.597 -25.214 1.00 42.52 N ATOM 1146 CD2 HIS A 69 2.835 10.808 -26.295 1.00 24.11 C ATOM 1147 CE1 HIS A 69 4.350 12.388 -26.172 1.00 64.12 C ATOM 1148 NE2 HIS A 69 3.991 11.308 -26.842 1.00 64.32 N ATOM 0 H HIS A 69 -0.774 13.028 -24.806 1.00 3.00 H new ATOM 0 HA HIS A 69 0.269 10.456 -25.813 1.00 4.53 H new ATOM 0 HB2 HIS A 69 1.189 12.550 -23.881 1.00 13.13 H new ATOM 0 HB3 HIS A 69 1.587 10.888 -23.495 1.00 13.13 H new ATOM 0 HD2 HIS A 69 2.297 9.932 -26.625 1.00 24.11 H new ATOM 0 HE1 HIS A 69 5.219 12.997 -26.373 1.00 64.12 H new ATOM 0 HE2 HIS A 69 4.491 10.910 -27.637 1.00 64.32 H new ATOM 1156 N SER A 70 -1.876 10.896 -23.485 1.00 31.14 N ATOM 1157 CA SER A 70 -2.747 10.239 -22.517 1.00 52.20 C ATOM 1158 C SER A 70 -3.257 8.908 -23.061 1.00 24.34 C ATOM 1159 O SER A 70 -3.664 8.031 -22.300 1.00 74.52 O ATOM 1160 CB SER A 70 -3.929 11.145 -22.166 1.00 1.13 C ATOM 1161 OG SER A 70 -4.836 11.244 -23.250 1.00 31.42 O ATOM 0 H SER A 70 -2.174 11.834 -23.752 1.00 31.14 H new ATOM 0 HA SER A 70 -2.166 10.045 -21.615 1.00 52.20 H new ATOM 0 HB2 SER A 70 -4.445 10.751 -21.291 1.00 1.13 H new ATOM 0 HB3 SER A 70 -3.564 12.137 -21.901 1.00 1.13 H new ATOM 0 HG SER A 70 -4.337 11.269 -24.093 1.00 31.42 H new ATOM 1167 N GLU A 71 -3.229 8.766 -24.382 1.00 74.12 N ATOM 1168 CA GLU A 71 -3.689 7.542 -25.028 1.00 52.10 C ATOM 1169 C GLU A 71 -2.790 6.364 -24.664 1.00 72.01 C ATOM 1170 O GLU A 71 -3.269 5.309 -24.248 1.00 21.52 O ATOM 1171 CB GLU A 71 -3.722 7.722 -26.547 1.00 55.21 C ATOM 1172 CG GLU A 71 -5.125 7.873 -27.112 1.00 11.34 C ATOM 1173 CD GLU A 71 -5.208 7.493 -28.577 1.00 52.53 C ATOM 1174 OE1 GLU A 71 -5.001 6.303 -28.894 1.00 10.14 O ATOM 1175 OE2 GLU A 71 -5.480 8.386 -29.408 1.00 22.35 O ATOM 0 H GLU A 71 -2.893 9.482 -25.026 1.00 74.12 H new ATOM 0 HA GLU A 71 -4.697 7.331 -24.672 1.00 52.10 H new ATOM 0 HB2 GLU A 71 -3.136 8.602 -26.813 1.00 55.21 H new ATOM 0 HB3 GLU A 71 -3.241 6.864 -27.017 1.00 55.21 H new ATOM 0 HG2 GLU A 71 -5.812 7.250 -26.539 1.00 11.34 H new ATOM 0 HG3 GLU A 71 -5.453 8.905 -26.989 1.00 11.34 H new ATOM 1182 N HIS A 72 -1.484 6.552 -24.825 1.00 11.11 N ATOM 1183 CA HIS A 72 -0.517 5.506 -24.514 1.00 21.44 C ATOM 1184 C HIS A 72 -0.171 5.510 -23.028 1.00 32.05 C ATOM 1185 O HIS A 72 0.268 4.499 -22.479 1.00 10.01 O ATOM 1186 CB HIS A 72 0.753 5.691 -25.345 1.00 53.40 C ATOM 1187 CG HIS A 72 0.511 5.658 -26.823 1.00 1.13 C ATOM 1188 ND1 HIS A 72 -0.383 4.795 -27.420 1.00 20.31 N ATOM 1189 CD2 HIS A 72 1.052 6.390 -27.825 1.00 33.11 C ATOM 1190 CE1 HIS A 72 -0.381 4.996 -28.726 1.00 25.44 C ATOM 1191 NE2 HIS A 72 0.481 5.959 -28.997 1.00 63.13 N ATOM 0 H HIS A 72 -1.071 7.419 -25.169 1.00 11.11 H new ATOM 0 HA HIS A 72 -0.967 4.545 -24.762 1.00 21.44 H new ATOM 0 HB2 HIS A 72 1.214 6.643 -25.082 1.00 53.40 H new ATOM 0 HB3 HIS A 72 1.465 4.908 -25.084 1.00 53.40 H new ATOM 0 HD2 HIS A 72 1.794 7.168 -27.722 1.00 33.11 H new ATOM 0 HE1 HIS A 72 -0.982 4.464 -29.448 1.00 25.44 H new ATOM 0 HE2 HIS A 72 0.689 6.324 -29.927 1.00 63.13 H new ATOM 1199 N PHE A 73 -0.372 6.654 -22.382 1.00 24.03 N ATOM 1200 CA PHE A 73 -0.079 6.790 -20.960 1.00 14.44 C ATOM 1201 C PHE A 73 -1.158 6.118 -20.116 1.00 15.23 C ATOM 1202 O PHE A 73 -0.859 5.363 -19.191 1.00 32.32 O ATOM 1203 CB PHE A 73 0.034 8.268 -20.580 1.00 10.30 C ATOM 1204 CG PHE A 73 1.393 8.852 -20.843 1.00 13.15 C ATOM 1205 CD1 PHE A 73 1.990 8.719 -22.085 1.00 62.05 C ATOM 1206 CD2 PHE A 73 2.073 9.534 -19.846 1.00 73.30 C ATOM 1207 CE1 PHE A 73 3.240 9.255 -22.331 1.00 3.44 C ATOM 1208 CE2 PHE A 73 3.323 10.073 -20.085 1.00 73.54 C ATOM 1209 CZ PHE A 73 3.908 9.932 -21.329 1.00 12.13 C ATOM 0 H PHE A 73 -0.736 7.500 -22.820 1.00 24.03 H new ATOM 0 HA PHE A 73 0.873 6.297 -20.762 1.00 14.44 H new ATOM 0 HB2 PHE A 73 -0.711 8.836 -21.137 1.00 10.30 H new ATOM 0 HB3 PHE A 73 -0.203 8.382 -19.522 1.00 10.30 H new ATOM 0 HD1 PHE A 73 1.473 8.190 -22.871 1.00 62.05 H new ATOM 0 HD2 PHE A 73 1.621 9.645 -18.872 1.00 73.30 H new ATOM 0 HE1 PHE A 73 3.694 9.145 -23.305 1.00 3.44 H new ATOM 0 HE2 PHE A 73 3.842 10.604 -19.301 1.00 73.54 H new ATOM 0 HZ PHE A 73 4.886 10.350 -21.518 1.00 12.13 H new ATOM 1219 N LYS A 74 -2.416 6.399 -20.441 1.00 2.33 N ATOM 1220 CA LYS A 74 -3.541 5.823 -19.715 1.00 34.11 C ATOM 1221 C LYS A 74 -3.435 4.302 -19.664 1.00 43.22 C ATOM 1222 O LYS A 74 -3.998 3.660 -18.778 1.00 5.53 O ATOM 1223 CB LYS A 74 -4.862 6.231 -20.373 1.00 24.51 C ATOM 1224 CG LYS A 74 -6.072 5.508 -19.807 1.00 22.10 C ATOM 1225 CD LYS A 74 -7.361 6.245 -20.127 1.00 74.11 C ATOM 1226 CE LYS A 74 -8.533 5.690 -19.331 1.00 62.14 C ATOM 1227 NZ LYS A 74 -9.264 4.633 -20.084 1.00 42.33 N ATOM 0 H LYS A 74 -2.681 7.023 -21.203 1.00 2.33 H new ATOM 0 HA LYS A 74 -3.517 6.206 -18.695 1.00 34.11 H new ATOM 0 HB2 LYS A 74 -5.002 7.305 -20.252 1.00 24.51 H new ATOM 0 HB3 LYS A 74 -4.801 6.036 -21.444 1.00 24.51 H new ATOM 0 HG2 LYS A 74 -6.118 4.498 -20.215 1.00 22.10 H new ATOM 0 HG3 LYS A 74 -5.966 5.410 -18.727 1.00 22.10 H new ATOM 0 HD2 LYS A 74 -7.239 7.305 -19.906 1.00 74.11 H new ATOM 0 HD3 LYS A 74 -7.573 6.164 -21.193 1.00 74.11 H new ATOM 0 HE2 LYS A 74 -8.170 5.280 -18.389 1.00 62.14 H new ATOM 0 HE3 LYS A 74 -9.219 6.500 -19.083 1.00 62.14 H new ATOM 0 HZ1 LYS A 74 -10.055 4.280 -19.508 1.00 42.33 H new ATOM 0 HZ2 LYS A 74 -9.632 5.031 -20.972 1.00 42.33 H new ATOM 0 HZ3 LYS A 74 -8.616 3.849 -20.299 1.00 42.33 H new ATOM 1241 N ALA A 75 -2.708 3.732 -20.620 1.00 11.31 N ATOM 1242 CA ALA A 75 -2.525 2.288 -20.681 1.00 60.54 C ATOM 1243 C ALA A 75 -1.367 1.843 -19.795 1.00 22.31 C ATOM 1244 O ALA A 75 -1.375 0.737 -19.253 1.00 64.14 O ATOM 1245 CB ALA A 75 -2.292 1.846 -22.119 1.00 21.24 C ATOM 0 H ALA A 75 -2.237 4.249 -21.362 1.00 11.31 H new ATOM 0 HA ALA A 75 -3.434 1.816 -20.310 1.00 60.54 H new ATOM 0 HB1 ALA A 75 -2.157 0.765 -22.150 1.00 21.24 H new ATOM 0 HB2 ALA A 75 -3.153 2.122 -22.728 1.00 21.24 H new ATOM 0 HB3 ALA A 75 -1.399 2.335 -22.510 1.00 21.24 H new ATOM 1251 N LYS A 76 -0.371 2.710 -19.651 1.00 1.42 N ATOM 1252 CA LYS A 76 0.795 2.408 -18.829 1.00 42.14 C ATOM 1253 C LYS A 76 0.375 1.903 -17.453 1.00 30.01 C ATOM 1254 O LYS A 76 1.019 1.024 -16.880 1.00 2.12 O ATOM 1255 CB LYS A 76 1.676 3.651 -18.681 1.00 64.54 C ATOM 1256 CG LYS A 76 3.110 3.336 -18.292 1.00 4.34 C ATOM 1257 CD LYS A 76 3.859 2.654 -19.424 1.00 63.11 C ATOM 1258 CE LYS A 76 5.337 2.497 -19.100 1.00 30.30 C ATOM 1259 NZ LYS A 76 6.199 2.812 -20.273 1.00 13.12 N ATOM 0 H LYS A 76 -0.348 3.629 -20.093 1.00 1.42 H new ATOM 0 HA LYS A 76 1.365 1.623 -19.326 1.00 42.14 H new ATOM 0 HB2 LYS A 76 1.676 4.201 -19.622 1.00 64.54 H new ATOM 0 HB3 LYS A 76 1.240 4.308 -17.928 1.00 64.54 H new ATOM 0 HG2 LYS A 76 3.624 4.257 -18.018 1.00 4.34 H new ATOM 0 HG3 LYS A 76 3.116 2.693 -17.412 1.00 4.34 H new ATOM 0 HD2 LYS A 76 3.421 1.674 -19.613 1.00 63.11 H new ATOM 0 HD3 LYS A 76 3.746 3.236 -20.339 1.00 63.11 H new ATOM 0 HE2 LYS A 76 5.599 3.154 -18.270 1.00 30.30 H new ATOM 0 HE3 LYS A 76 5.530 1.476 -18.771 1.00 30.30 H new ATOM 0 HZ1 LYS A 76 7.198 2.693 -20.011 1.00 13.12 H new ATOM 0 HZ2 LYS A 76 5.967 2.169 -21.057 1.00 13.12 H new ATOM 0 HZ3 LYS A 76 6.034 3.795 -20.571 1.00 13.12 H new ATOM 1273 N PHE A 77 -0.710 2.463 -16.928 1.00 2.01 N ATOM 1274 CA PHE A 77 -1.216 2.069 -15.619 1.00 33.35 C ATOM 1275 C PHE A 77 -1.316 0.550 -15.509 1.00 14.01 C ATOM 1276 O PHE A 77 -1.034 -0.027 -14.459 1.00 74.13 O ATOM 1277 CB PHE A 77 -2.587 2.701 -15.367 1.00 23.13 C ATOM 1278 CG PHE A 77 -2.689 3.403 -14.043 1.00 21.23 C ATOM 1279 CD1 PHE A 77 -3.322 4.631 -13.942 1.00 35.23 C ATOM 1280 CD2 PHE A 77 -2.151 2.835 -12.899 1.00 62.42 C ATOM 1281 CE1 PHE A 77 -3.419 5.279 -12.725 1.00 4.23 C ATOM 1282 CE2 PHE A 77 -2.244 3.478 -11.680 1.00 12.14 C ATOM 1283 CZ PHE A 77 -2.878 4.702 -11.592 1.00 43.45 C ATOM 0 H PHE A 77 -1.255 3.191 -17.389 1.00 2.01 H new ATOM 0 HA PHE A 77 -0.515 2.425 -14.864 1.00 33.35 H new ATOM 0 HB2 PHE A 77 -2.802 3.413 -16.164 1.00 23.13 H new ATOM 0 HB3 PHE A 77 -3.351 1.925 -15.418 1.00 23.13 H new ATOM 0 HD1 PHE A 77 -3.745 5.088 -14.825 1.00 35.23 H new ATOM 0 HD2 PHE A 77 -1.653 1.879 -12.961 1.00 62.42 H new ATOM 0 HE1 PHE A 77 -3.917 6.235 -12.660 1.00 4.23 H new ATOM 0 HE2 PHE A 77 -1.821 3.024 -10.796 1.00 12.14 H new ATOM 0 HZ PHE A 77 -2.951 5.207 -10.640 1.00 43.45 H new ATOM 1293 N ALA A 78 -1.721 -0.091 -16.601 1.00 2.41 N ATOM 1294 CA ALA A 78 -1.857 -1.542 -16.629 1.00 11.42 C ATOM 1295 C ALA A 78 -0.506 -2.224 -16.444 1.00 42.43 C ATOM 1296 O ALA A 78 -0.412 -3.272 -15.807 1.00 2.35 O ATOM 1297 CB ALA A 78 -2.501 -1.986 -17.934 1.00 31.13 C ATOM 0 H ALA A 78 -1.961 0.372 -17.478 1.00 2.41 H new ATOM 0 HA ALA A 78 -2.500 -1.838 -15.800 1.00 11.42 H new ATOM 0 HB1 ALA A 78 -2.597 -3.072 -17.942 1.00 31.13 H new ATOM 0 HB2 ALA A 78 -3.489 -1.534 -18.024 1.00 31.13 H new ATOM 0 HB3 ALA A 78 -1.880 -1.671 -18.772 1.00 31.13 H new ATOM 1303 N GLU A 79 0.537 -1.622 -17.007 1.00 45.03 N ATOM 1304 CA GLU A 79 1.883 -2.174 -16.905 1.00 43.22 C ATOM 1305 C GLU A 79 2.583 -1.673 -15.645 1.00 15.14 C ATOM 1306 O GLU A 79 3.531 -2.291 -15.160 1.00 31.35 O ATOM 1307 CB GLU A 79 2.706 -1.801 -18.140 1.00 63.42 C ATOM 1308 CG GLU A 79 4.204 -1.967 -17.946 1.00 61.43 C ATOM 1309 CD GLU A 79 4.964 -1.984 -19.259 1.00 11.05 C ATOM 1310 OE1 GLU A 79 5.645 -2.994 -19.536 1.00 53.44 O ATOM 1311 OE2 GLU A 79 4.878 -0.988 -20.007 1.00 23.20 O ATOM 0 H GLU A 79 0.476 -0.753 -17.538 1.00 45.03 H new ATOM 0 HA GLU A 79 1.799 -3.259 -16.846 1.00 43.22 H new ATOM 0 HB2 GLU A 79 2.386 -2.418 -18.979 1.00 63.42 H new ATOM 0 HB3 GLU A 79 2.495 -0.766 -18.408 1.00 63.42 H new ATOM 0 HG2 GLU A 79 4.578 -1.154 -17.324 1.00 61.43 H new ATOM 0 HG3 GLU A 79 4.396 -2.895 -17.407 1.00 61.43 H new ATOM 1318 N LEU A 80 2.108 -0.549 -15.119 1.00 43.45 N ATOM 1319 CA LEU A 80 2.687 0.037 -13.915 1.00 42.24 C ATOM 1320 C LEU A 80 2.748 -0.987 -12.786 1.00 54.25 C ATOM 1321 O LEU A 80 3.799 -1.199 -12.181 1.00 45.54 O ATOM 1322 CB LEU A 80 1.871 1.253 -13.473 1.00 44.21 C ATOM 1323 CG LEU A 80 2.092 1.722 -12.034 1.00 75.13 C ATOM 1324 CD1 LEU A 80 3.560 2.033 -11.793 1.00 65.00 C ATOM 1325 CD2 LEU A 80 1.230 2.939 -11.732 1.00 50.33 C ATOM 0 H LEU A 80 1.324 -0.025 -15.507 1.00 43.45 H new ATOM 0 HA LEU A 80 3.703 0.354 -14.148 1.00 42.24 H new ATOM 0 HB2 LEU A 80 2.099 2.082 -14.143 1.00 44.21 H new ATOM 0 HB3 LEU A 80 0.813 1.022 -13.600 1.00 44.21 H new ATOM 0 HG LEU A 80 1.798 0.917 -11.361 1.00 75.13 H new ATOM 0 HD11 LEU A 80 3.697 2.365 -10.764 1.00 65.00 H new ATOM 0 HD12 LEU A 80 4.155 1.137 -11.968 1.00 65.00 H new ATOM 0 HD13 LEU A 80 3.882 2.821 -12.474 1.00 65.00 H new ATOM 0 HD21 LEU A 80 1.400 3.259 -10.704 1.00 50.33 H new ATOM 0 HD22 LEU A 80 1.493 3.749 -12.412 1.00 50.33 H new ATOM 0 HD23 LEU A 80 0.179 2.682 -11.863 1.00 50.33 H new ATOM 1337 N LEU A 81 1.614 -1.621 -12.509 1.00 70.31 N ATOM 1338 CA LEU A 81 1.538 -2.626 -11.454 1.00 52.10 C ATOM 1339 C LEU A 81 2.673 -3.636 -11.581 1.00 64.21 C ATOM 1340 O LEU A 81 3.184 -4.139 -10.581 1.00 0.33 O ATOM 1341 CB LEU A 81 0.190 -3.347 -11.506 1.00 31.30 C ATOM 1342 CG LEU A 81 -0.870 -2.862 -10.517 1.00 0.43 C ATOM 1343 CD1 LEU A 81 -1.979 -2.118 -11.245 1.00 31.42 C ATOM 1344 CD2 LEU A 81 -1.439 -4.032 -9.727 1.00 45.50 C ATOM 0 H LEU A 81 0.735 -1.457 -13.000 1.00 70.31 H new ATOM 0 HA LEU A 81 1.635 -2.118 -10.495 1.00 52.10 H new ATOM 0 HB2 LEU A 81 -0.212 -3.251 -12.515 1.00 31.30 H new ATOM 0 HB3 LEU A 81 0.362 -4.409 -11.331 1.00 31.30 H new ATOM 0 HG LEU A 81 -0.397 -2.173 -9.817 1.00 0.43 H new ATOM 0 HD11 LEU A 81 -2.724 -1.780 -10.525 1.00 31.42 H new ATOM 0 HD12 LEU A 81 -1.559 -1.256 -11.764 1.00 31.42 H new ATOM 0 HD13 LEU A 81 -2.449 -2.784 -11.969 1.00 31.42 H new ATOM 0 HD21 LEU A 81 -2.192 -3.667 -9.028 1.00 45.50 H new ATOM 0 HD22 LEU A 81 -1.896 -4.746 -10.412 1.00 45.50 H new ATOM 0 HD23 LEU A 81 -0.637 -4.522 -9.174 1.00 45.50 H new ATOM 1356 N GLU A 82 3.065 -3.927 -12.818 1.00 14.20 N ATOM 1357 CA GLU A 82 4.141 -4.876 -13.075 1.00 22.22 C ATOM 1358 C GLU A 82 5.500 -4.183 -13.029 1.00 70.22 C ATOM 1359 O GLU A 82 6.500 -4.782 -12.633 1.00 14.53 O ATOM 1360 CB GLU A 82 3.945 -5.548 -14.435 1.00 74.52 C ATOM 1361 CG GLU A 82 2.634 -6.308 -14.555 1.00 22.10 C ATOM 1362 CD GLU A 82 2.430 -7.301 -13.427 1.00 41.11 C ATOM 1363 OE1 GLU A 82 2.897 -8.452 -13.559 1.00 53.20 O ATOM 1364 OE2 GLU A 82 1.804 -6.927 -12.413 1.00 61.53 O ATOM 0 H GLU A 82 2.653 -3.519 -13.657 1.00 14.20 H new ATOM 0 HA GLU A 82 4.113 -5.637 -12.295 1.00 22.22 H new ATOM 0 HB2 GLU A 82 3.988 -4.789 -15.216 1.00 74.52 H new ATOM 0 HB3 GLU A 82 4.772 -6.236 -14.614 1.00 74.52 H new ATOM 0 HG2 GLU A 82 1.807 -5.599 -14.564 1.00 22.10 H new ATOM 0 HG3 GLU A 82 2.611 -6.837 -15.508 1.00 22.10 H new ATOM 1371 N GLN A 83 5.527 -2.919 -13.439 1.00 31.03 N ATOM 1372 CA GLN A 83 6.763 -2.145 -13.446 1.00 33.11 C ATOM 1373 C GLN A 83 7.443 -2.193 -12.082 1.00 22.41 C ATOM 1374 O GLN A 83 8.547 -2.721 -11.948 1.00 33.35 O ATOM 1375 CB GLN A 83 6.478 -0.694 -13.836 1.00 11.42 C ATOM 1376 CG GLN A 83 7.733 0.126 -14.088 1.00 1.13 C ATOM 1377 CD GLN A 83 7.588 1.567 -13.641 1.00 3.52 C ATOM 1378 OE1 GLN A 83 7.832 2.496 -14.412 1.00 12.11 O ATOM 1379 NE2 GLN A 83 7.190 1.762 -12.389 1.00 54.32 N ATOM 0 H GLN A 83 4.708 -2.409 -13.770 1.00 31.03 H new ATOM 0 HA GLN A 83 7.435 -2.587 -14.182 1.00 33.11 H new ATOM 0 HB2 GLN A 83 5.860 -0.683 -14.734 1.00 11.42 H new ATOM 0 HB3 GLN A 83 5.898 -0.221 -13.044 1.00 11.42 H new ATOM 0 HG2 GLN A 83 8.572 -0.331 -13.563 1.00 1.13 H new ATOM 0 HG3 GLN A 83 7.971 0.102 -15.151 1.00 1.13 H new ATOM 0 HE21 GLN A 83 6.999 0.963 -11.784 1.00 54.32 H new ATOM 0 HE22 GLN A 83 7.076 2.711 -12.032 1.00 54.32 H new ATOM 1388 N GLN A 84 6.778 -1.639 -11.074 1.00 14.11 N ATOM 1389 CA GLN A 84 7.320 -1.618 -9.721 1.00 32.45 C ATOM 1390 C GLN A 84 7.434 -3.032 -9.158 1.00 42.55 C ATOM 1391 O GLN A 84 8.499 -3.444 -8.698 1.00 41.11 O ATOM 1392 CB GLN A 84 6.438 -0.764 -8.808 1.00 42.22 C ATOM 1393 CG GLN A 84 7.187 0.370 -8.127 1.00 21.04 C ATOM 1394 CD GLN A 84 7.872 1.294 -9.114 1.00 71.02 C ATOM 1395 OE1 GLN A 84 7.248 2.198 -9.672 1.00 24.34 O ATOM 1396 NE2 GLN A 84 9.162 1.072 -9.336 1.00 62.03 N ATOM 0 H GLN A 84 5.863 -1.199 -11.169 1.00 14.11 H new ATOM 0 HA GLN A 84 8.318 -1.181 -9.764 1.00 32.45 H new ATOM 0 HB2 GLN A 84 5.619 -0.347 -9.394 1.00 42.22 H new ATOM 0 HB3 GLN A 84 5.992 -1.403 -8.046 1.00 42.22 H new ATOM 0 HG2 GLN A 84 6.490 0.947 -7.519 1.00 21.04 H new ATOM 0 HG3 GLN A 84 7.932 -0.047 -7.449 1.00 21.04 H new ATOM 0 HE21 GLN A 84 9.639 0.312 -8.852 1.00 62.03 H new ATOM 0 HE22 GLN A 84 9.676 1.662 -9.991 1.00 62.03 H new ATOM 1405 N LYS A 85 6.330 -3.770 -9.199 1.00 24.05 N ATOM 1406 CA LYS A 85 6.306 -5.138 -8.694 1.00 53.13 C ATOM 1407 C LYS A 85 7.497 -5.933 -9.220 1.00 12.04 C ATOM 1408 O LYS A 85 8.028 -6.802 -8.529 1.00 51.32 O ATOM 1409 CB LYS A 85 5.001 -5.828 -9.097 1.00 74.31 C ATOM 1410 CG LYS A 85 4.831 -7.210 -8.490 1.00 62.43 C ATOM 1411 CD LYS A 85 3.585 -7.290 -7.625 1.00 21.45 C ATOM 1412 CE LYS A 85 2.938 -8.665 -7.705 1.00 0.43 C ATOM 1413 NZ LYS A 85 1.764 -8.779 -6.795 1.00 45.11 N ATOM 0 H LYS A 85 5.440 -3.444 -9.577 1.00 24.05 H new ATOM 0 HA LYS A 85 6.369 -5.099 -7.607 1.00 53.13 H new ATOM 0 HB2 LYS A 85 4.161 -5.202 -8.796 1.00 74.31 H new ATOM 0 HB3 LYS A 85 4.964 -5.910 -10.183 1.00 74.31 H new ATOM 0 HG2 LYS A 85 4.771 -7.953 -9.285 1.00 62.43 H new ATOM 0 HG3 LYS A 85 5.708 -7.455 -7.890 1.00 62.43 H new ATOM 0 HD2 LYS A 85 3.845 -7.069 -6.590 1.00 21.45 H new ATOM 0 HD3 LYS A 85 2.870 -6.531 -7.944 1.00 21.45 H new ATOM 0 HE2 LYS A 85 2.623 -8.859 -8.730 1.00 0.43 H new ATOM 0 HE3 LYS A 85 3.673 -9.428 -7.447 1.00 0.43 H new ATOM 0 HZ1 LYS A 85 1.351 -9.730 -6.879 1.00 45.11 H new ATOM 0 HZ2 LYS A 85 2.069 -8.619 -5.814 1.00 45.11 H new ATOM 0 HZ3 LYS A 85 1.052 -8.068 -7.057 1.00 45.11 H new