USER MOD reduce.3.24.130724 H: found=0, std=0, add=1076, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 1077 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 49 LYS NZ :NH3+ -111:sc= 1.23 (180deg=0) USER MOD Set 1.2: A 50 GLN : amide:sc= 1.08 K(o=2.3,f=-4.5) USER MOD Single : A 3 THR OG1 : rot -150:sc= 0 USER MOD Single : A 9 SER OG : rot 170:sc= -0.0465 USER MOD Single : A 10 ASN : amide:sc= 0.291 K(o=0.29,f=-4.1!) USER MOD Single : A 24 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00279) USER MOD Single : A 25 SER OG : rot -80:sc= -0.192 USER MOD Single : A 28 ASN : amide:sc= -0.325 K(o=-0.33,f=-1.8!) USER MOD Single : A 30 LYS NZ :NH3+ -141:sc= 1.19 (180deg=-0.322) USER MOD Single : A 31 THR OG1 : rot 23:sc= 0.622 USER MOD Single : A 34 THR OG1 : rot -124:sc= 0.89 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -165:sc= 1 (180deg=0.845) USER MOD Single : A 46 LYS NZ :NH3+ -156:sc= 0.986 (180deg=0.605) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 30:sc= -0.291 USER MOD Single : A 74 GLN : amide:sc= 0.103 K(o=0.1,f=-0.69) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 138:sc= 0.566 (180deg=-0.475!) USER MOD Single : A 87 GLN : amide:sc= 0.11 X(o=0.11,f=-0.3) USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -0.0413 X(o=-0.041,f=-0.041) USER MOD Single : A 100 LYS NZ :NH3+ -159:sc= -1.25 (180deg=-1.73!) USER MOD Single : A 101 LYS NZ :NH3+ -179:sc= 0.39 (180deg=0.389) USER MOD Single : A 109 THR OG1 : rot -120:sc=-0.00895 USER MOD Single : A 111 ASN : amide:sc= -0.425 X(o=-0.42,f=0) USER MOD Single : A 116 LYS NZ :NH3+ -151:sc= -0.0973 (180deg=-1.48) USER MOD Single : A 117 LYS NZ :NH3+ -94:sc= 0.127 (180deg=0.0982) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 LYS NZ :NH3+ -178:sc= 0.265 (180deg=0.263) USER MOD ----------------------------------------------------------------- ATOM 20 N GLY A 2 -2.416 -12.754 -1.484 1.00 43.12 N ATOM 21 CA GLY A 2 -1.020 -12.330 -1.633 1.00 4.42 C ATOM 22 C GLY A 2 -0.917 -10.984 -2.312 1.00 1.32 C ATOM 23 O GLY A 2 -0.248 -10.838 -3.345 1.00 71.44 O ATOM 0 HA2 GLY A 2 -0.548 -12.280 -0.652 1.00 4.42 H new ATOM 0 HA3 GLY A 2 -0.473 -13.074 -2.213 1.00 4.42 H new ATOM 27 N THR A 3 -1.619 -9.995 -1.740 1.00 51.32 N ATOM 28 CA THR A 3 -1.678 -8.632 -2.270 1.00 53.23 C ATOM 29 C THR A 3 -0.961 -7.674 -1.302 1.00 10.05 C ATOM 30 O THR A 3 -1.299 -7.618 -0.112 1.00 71.23 O ATOM 31 CB THR A 3 -3.168 -8.178 -2.472 1.00 0.33 C ATOM 32 OG1 THR A 3 -3.929 -9.246 -3.070 1.00 34.04 O ATOM 33 CG2 THR A 3 -3.279 -6.928 -3.371 1.00 64.23 C ATOM 0 H THR A 3 -2.166 -10.124 -0.889 1.00 51.32 H new ATOM 0 HA THR A 3 -1.181 -8.610 -3.240 1.00 53.23 H new ATOM 0 HB THR A 3 -3.563 -7.928 -1.487 1.00 0.33 H new ATOM 0 HG1 THR A 3 -4.651 -8.868 -3.614 1.00 34.04 H new ATOM 0 HG21 THR A 3 -4.328 -6.652 -3.482 1.00 64.23 H new ATOM 0 HG22 THR A 3 -2.732 -6.102 -2.915 1.00 64.23 H new ATOM 0 HG23 THR A 3 -2.856 -7.146 -4.351 1.00 64.23 H new ATOM 41 N VAL A 4 0.045 -6.952 -1.812 1.00 31.14 N ATOM 42 CA VAL A 4 0.736 -5.896 -1.067 1.00 50.33 C ATOM 43 C VAL A 4 0.055 -4.583 -1.450 1.00 64.53 C ATOM 44 O VAL A 4 0.121 -4.175 -2.609 1.00 31.32 O ATOM 45 CB VAL A 4 2.278 -5.846 -1.419 1.00 1.33 C ATOM 46 CG1 VAL A 4 3.025 -4.774 -0.582 1.00 12.42 C ATOM 47 CG2 VAL A 4 2.928 -7.239 -1.246 1.00 43.10 C ATOM 0 H VAL A 4 0.403 -7.086 -2.758 1.00 31.14 H new ATOM 0 HA VAL A 4 0.674 -6.082 0.005 1.00 50.33 H new ATOM 0 HB VAL A 4 2.365 -5.557 -2.466 1.00 1.33 H new ATOM 0 HG11 VAL A 4 4.081 -4.771 -0.853 1.00 12.42 H new ATOM 0 HG12 VAL A 4 2.596 -3.792 -0.782 1.00 12.42 H new ATOM 0 HG13 VAL A 4 2.923 -5.005 0.478 1.00 12.42 H new ATOM 0 HG21 VAL A 4 3.988 -7.179 -1.494 1.00 43.10 H new ATOM 0 HG22 VAL A 4 2.815 -7.568 -0.213 1.00 43.10 H new ATOM 0 HG23 VAL A 4 2.440 -7.953 -1.909 1.00 43.10 H new ATOM 57 N VAL A 5 -0.617 -3.948 -0.489 1.00 61.11 N ATOM 58 CA VAL A 5 -1.410 -2.729 -0.728 1.00 32.35 C ATOM 59 C VAL A 5 -0.776 -1.547 0.031 1.00 45.30 C ATOM 60 O VAL A 5 -0.737 -1.529 1.258 1.00 72.54 O ATOM 61 CB VAL A 5 -2.936 -2.948 -0.348 1.00 72.41 C ATOM 62 CG1 VAL A 5 -3.633 -3.872 -1.370 1.00 20.14 C ATOM 63 CG2 VAL A 5 -3.125 -3.517 1.077 1.00 5.52 C ATOM 0 H VAL A 5 -0.630 -4.261 0.482 1.00 61.11 H new ATOM 0 HA VAL A 5 -1.396 -2.493 -1.792 1.00 32.35 H new ATOM 0 HB VAL A 5 -3.398 -1.961 -0.372 1.00 72.41 H new ATOM 0 HG11 VAL A 5 -4.677 -4.006 -1.087 1.00 20.14 H new ATOM 0 HG12 VAL A 5 -3.581 -3.423 -2.362 1.00 20.14 H new ATOM 0 HG13 VAL A 5 -3.134 -4.841 -1.384 1.00 20.14 H new ATOM 0 HG21 VAL A 5 -4.188 -3.645 1.280 1.00 5.52 H new ATOM 0 HG22 VAL A 5 -2.622 -4.481 1.153 1.00 5.52 H new ATOM 0 HG23 VAL A 5 -2.698 -2.826 1.804 1.00 5.52 H new ATOM 73 N ILE A 6 -0.240 -0.576 -0.719 1.00 1.11 N ATOM 74 CA ILE A 6 0.475 0.575 -0.156 1.00 4.23 C ATOM 75 C ILE A 6 -0.424 1.812 -0.253 1.00 40.44 C ATOM 76 O ILE A 6 -0.665 2.313 -1.349 1.00 15.42 O ATOM 77 CB ILE A 6 1.842 0.877 -0.893 1.00 52.41 C ATOM 78 CG1 ILE A 6 2.786 -0.384 -0.989 1.00 53.41 C ATOM 79 CG2 ILE A 6 2.570 2.052 -0.196 1.00 31.14 C ATOM 80 CD1 ILE A 6 2.467 -1.362 -2.121 1.00 34.12 C ATOM 0 H ILE A 6 -0.291 -0.567 -1.738 1.00 1.11 H new ATOM 0 HA ILE A 6 0.713 0.332 0.880 1.00 4.23 H new ATOM 0 HB ILE A 6 1.597 1.154 -1.918 1.00 52.41 H new ATOM 0 HG12 ILE A 6 3.813 -0.039 -1.109 1.00 53.41 H new ATOM 0 HG13 ILE A 6 2.740 -0.923 -0.043 1.00 53.41 H new ATOM 0 HG21 ILE A 6 3.510 2.253 -0.709 1.00 31.14 H new ATOM 0 HG22 ILE A 6 1.940 2.941 -0.229 1.00 31.14 H new ATOM 0 HG23 ILE A 6 2.773 1.790 0.842 1.00 31.14 H new ATOM 0 HD11 ILE A 6 3.175 -2.191 -2.096 1.00 34.12 H new ATOM 0 HD12 ILE A 6 1.454 -1.746 -1.996 1.00 34.12 H new ATOM 0 HD13 ILE A 6 2.544 -0.848 -3.079 1.00 34.12 H new ATOM 92 N VAL A 7 -0.898 2.307 0.892 1.00 44.41 N ATOM 93 CA VAL A 7 -1.724 3.512 0.957 1.00 62.45 C ATOM 94 C VAL A 7 -0.823 4.744 1.039 1.00 14.32 C ATOM 95 O VAL A 7 -0.178 5.001 2.056 1.00 43.41 O ATOM 96 CB VAL A 7 -2.680 3.481 2.194 1.00 20.42 C ATOM 97 CG1 VAL A 7 -3.526 4.776 2.307 1.00 41.15 C ATOM 98 CG2 VAL A 7 -3.562 2.229 2.145 1.00 4.52 C ATOM 0 H VAL A 7 -0.719 1.882 1.802 1.00 44.41 H new ATOM 0 HA VAL A 7 -2.335 3.555 0.056 1.00 62.45 H new ATOM 0 HB VAL A 7 -2.068 3.436 3.095 1.00 20.42 H new ATOM 0 HG11 VAL A 7 -4.176 4.711 3.180 1.00 41.15 H new ATOM 0 HG12 VAL A 7 -2.864 5.635 2.411 1.00 41.15 H new ATOM 0 HG13 VAL A 7 -4.134 4.893 1.410 1.00 41.15 H new ATOM 0 HG21 VAL A 7 -4.224 2.216 3.011 1.00 4.52 H new ATOM 0 HG22 VAL A 7 -4.158 2.239 1.232 1.00 4.52 H new ATOM 0 HG23 VAL A 7 -2.932 1.340 2.157 1.00 4.52 H new ATOM 108 N VAL A 8 -0.770 5.470 -0.067 1.00 74.43 N ATOM 109 CA VAL A 8 -0.065 6.740 -0.187 1.00 65.34 C ATOM 110 C VAL A 8 -1.083 7.887 -0.193 1.00 74.52 C ATOM 111 O VAL A 8 -2.169 7.765 -0.777 1.00 64.21 O ATOM 112 CB VAL A 8 0.807 6.792 -1.494 1.00 3.12 C ATOM 113 CG1 VAL A 8 1.619 8.113 -1.580 1.00 24.53 C ATOM 114 CG2 VAL A 8 1.723 5.548 -1.585 1.00 71.02 C ATOM 0 H VAL A 8 -1.229 5.185 -0.932 1.00 74.43 H new ATOM 0 HA VAL A 8 0.606 6.842 0.666 1.00 65.34 H new ATOM 0 HB VAL A 8 0.136 6.776 -2.353 1.00 3.12 H new ATOM 0 HG11 VAL A 8 2.211 8.117 -2.495 1.00 24.53 H new ATOM 0 HG12 VAL A 8 0.934 8.961 -1.587 1.00 24.53 H new ATOM 0 HG13 VAL A 8 2.282 8.189 -0.718 1.00 24.53 H new ATOM 0 HG21 VAL A 8 2.319 5.601 -2.496 1.00 71.02 H new ATOM 0 HG22 VAL A 8 2.385 5.519 -0.719 1.00 71.02 H new ATOM 0 HG23 VAL A 8 1.111 4.646 -1.604 1.00 71.02 H new ATOM 124 N SER A 9 -0.717 9.001 0.457 1.00 23.05 N ATOM 125 CA SER A 9 -1.531 10.222 0.473 1.00 42.11 C ATOM 126 C SER A 9 -0.620 11.455 0.601 1.00 0.14 C ATOM 127 O SER A 9 0.609 11.327 0.687 1.00 14.14 O ATOM 128 CB SER A 9 -2.573 10.168 1.620 1.00 43.41 C ATOM 129 OG SER A 9 -1.974 10.341 2.890 1.00 65.43 O ATOM 0 H SER A 9 0.152 9.080 0.986 1.00 23.05 H new ATOM 0 HA SER A 9 -2.080 10.298 -0.466 1.00 42.11 H new ATOM 0 HB2 SER A 9 -3.323 10.943 1.465 1.00 43.41 H new ATOM 0 HB3 SER A 9 -3.093 9.211 1.592 1.00 43.41 H new ATOM 0 HG SER A 9 -2.672 10.462 3.567 1.00 65.43 H new ATOM 135 N ASN A 10 -1.238 12.641 0.615 1.00 1.05 N ATOM 136 CA ASN A 10 -0.539 13.937 0.732 1.00 31.01 C ATOM 137 C ASN A 10 -0.534 14.455 2.186 1.00 74.41 C ATOM 138 O ASN A 10 -0.014 15.540 2.452 1.00 31.43 O ATOM 139 CB ASN A 10 -1.206 14.972 -0.215 1.00 64.33 C ATOM 140 CG ASN A 10 -2.683 15.282 0.105 1.00 44.40 C ATOM 141 OD1 ASN A 10 -3.419 14.454 0.651 1.00 35.32 O ATOM 142 ND2 ASN A 10 -3.142 16.468 -0.266 1.00 54.32 N ATOM 0 H ASN A 10 -2.251 12.735 0.545 1.00 1.05 H new ATOM 0 HA ASN A 10 0.501 13.793 0.439 1.00 31.01 H new ATOM 0 HB2 ASN A 10 -0.637 15.901 -0.174 1.00 64.33 H new ATOM 0 HB3 ASN A 10 -1.140 14.603 -1.238 1.00 64.33 H new ATOM 0 HD21 ASN A 10 -4.119 16.711 -0.102 1.00 54.32 H new ATOM 0 HD22 ASN A 10 -2.518 17.138 -0.716 1.00 54.32 H new ATOM 149 N ASP A 11 -1.069 13.651 3.126 1.00 25.32 N ATOM 150 CA ASP A 11 -1.300 14.081 4.524 1.00 74.12 C ATOM 151 C ASP A 11 -0.897 12.971 5.517 1.00 10.31 C ATOM 152 O ASP A 11 -0.779 11.803 5.142 1.00 31.41 O ATOM 153 CB ASP A 11 -2.796 14.457 4.687 1.00 62.21 C ATOM 154 CG ASP A 11 -3.156 15.092 6.047 1.00 64.42 C ATOM 155 OD1 ASP A 11 -3.045 16.328 6.188 1.00 31.20 O ATOM 156 OD2 ASP A 11 -3.554 14.362 6.975 1.00 55.31 O ATOM 0 H ASP A 11 -1.353 12.689 2.941 1.00 25.32 H new ATOM 0 HA ASP A 11 -0.680 14.950 4.745 1.00 74.12 H new ATOM 0 HB2 ASP A 11 -3.071 15.151 3.893 1.00 62.21 H new ATOM 0 HB3 ASP A 11 -3.399 13.560 4.549 1.00 62.21 H new ATOM 161 N GLU A 12 -0.692 13.368 6.785 1.00 43.45 N ATOM 162 CA GLU A 12 -0.291 12.473 7.880 1.00 0.14 C ATOM 163 C GLU A 12 -1.527 11.797 8.525 1.00 22.33 C ATOM 164 O GLU A 12 -1.619 10.566 8.575 1.00 5.33 O ATOM 165 CB GLU A 12 0.478 13.298 8.950 1.00 32.11 C ATOM 166 CG GLU A 12 1.011 12.479 10.144 1.00 75.04 C ATOM 167 CD GLU A 12 1.513 13.368 11.288 1.00 13.43 C ATOM 168 OE1 GLU A 12 2.671 13.846 11.230 1.00 53.22 O ATOM 169 OE2 GLU A 12 0.740 13.621 12.240 1.00 53.15 O ATOM 0 H GLU A 12 -0.803 14.338 7.081 1.00 43.45 H new ATOM 0 HA GLU A 12 0.351 11.689 7.479 1.00 0.14 H new ATOM 0 HB2 GLU A 12 1.318 13.798 8.467 1.00 32.11 H new ATOM 0 HB3 GLU A 12 -0.182 14.078 9.329 1.00 32.11 H new ATOM 0 HG2 GLU A 12 0.220 11.827 10.515 1.00 75.04 H new ATOM 0 HG3 GLU A 12 1.823 11.835 9.805 1.00 75.04 H new ATOM 176 N ARG A 13 -2.474 12.629 9.006 1.00 2.33 N ATOM 177 CA ARG A 13 -3.632 12.172 9.814 1.00 24.41 C ATOM 178 C ARG A 13 -4.654 11.373 8.988 1.00 54.44 C ATOM 179 O ARG A 13 -5.405 10.579 9.556 1.00 41.01 O ATOM 180 CB ARG A 13 -4.347 13.351 10.520 1.00 50.40 C ATOM 181 CG ARG A 13 -3.473 14.154 11.512 1.00 72.30 C ATOM 182 CD ARG A 13 -4.308 15.087 12.416 1.00 11.13 C ATOM 183 NE ARG A 13 -5.224 15.953 11.652 1.00 31.54 N ATOM 184 CZ ARG A 13 -5.971 16.946 12.167 1.00 14.52 C ATOM 185 NH1 ARG A 13 -5.935 17.238 13.472 1.00 24.41 N ATOM 186 NH2 ARG A 13 -6.761 17.643 11.356 1.00 22.44 N ATOM 0 H ARG A 13 -2.461 13.636 8.847 1.00 2.33 H new ATOM 0 HA ARG A 13 -3.214 11.508 10.570 1.00 24.41 H new ATOM 0 HB2 ARG A 13 -4.725 14.034 9.759 1.00 50.40 H new ATOM 0 HB3 ARG A 13 -5.212 12.961 11.056 1.00 50.40 H new ATOM 0 HG2 ARG A 13 -2.907 13.462 12.135 1.00 72.30 H new ATOM 0 HG3 ARG A 13 -2.748 14.747 10.954 1.00 72.30 H new ATOM 0 HD2 ARG A 13 -4.885 14.485 13.117 1.00 11.13 H new ATOM 0 HD3 ARG A 13 -3.636 15.709 13.008 1.00 11.13 H new ATOM 0 HE ARG A 13 -5.298 15.785 10.649 1.00 31.54 H new ATOM 0 HH11 ARG A 13 -5.333 16.703 14.098 1.00 24.41 H new ATOM 0 HH12 ARG A 13 -6.510 17.995 13.841 1.00 24.41 H new ATOM 0 HH21 ARG A 13 -6.794 17.421 10.361 1.00 22.44 H new ATOM 0 HH22 ARG A 13 -7.335 18.400 11.729 1.00 22.44 H new ATOM 200 N ILE A 14 -4.716 11.629 7.666 1.00 13.43 N ATOM 201 CA ILE A 14 -5.543 10.835 6.739 1.00 1.32 C ATOM 202 C ILE A 14 -5.095 9.358 6.796 1.00 71.21 C ATOM 203 O ILE A 14 -5.923 8.468 6.925 1.00 64.12 O ATOM 204 CB ILE A 14 -5.477 11.396 5.261 1.00 20.13 C ATOM 205 CG1 ILE A 14 -6.155 12.805 5.177 1.00 21.42 C ATOM 206 CG2 ILE A 14 -6.115 10.421 4.236 1.00 34.02 C ATOM 207 CD1 ILE A 14 -6.116 13.452 3.799 1.00 1.34 C ATOM 0 H ILE A 14 -4.199 12.384 7.216 1.00 13.43 H new ATOM 0 HA ILE A 14 -6.584 10.909 7.052 1.00 1.32 H new ATOM 0 HB ILE A 14 -4.423 11.495 4.999 1.00 20.13 H new ATOM 0 HG12 ILE A 14 -7.195 12.711 5.489 1.00 21.42 H new ATOM 0 HG13 ILE A 14 -5.667 13.470 5.889 1.00 21.42 H new ATOM 0 HG21 ILE A 14 -6.046 10.849 3.236 1.00 34.02 H new ATOM 0 HG22 ILE A 14 -5.585 9.469 4.261 1.00 34.02 H new ATOM 0 HG23 ILE A 14 -7.163 10.260 4.491 1.00 34.02 H new ATOM 0 HD11 ILE A 14 -6.609 14.423 3.839 1.00 1.34 H new ATOM 0 HD12 ILE A 14 -5.080 13.584 3.488 1.00 1.34 H new ATOM 0 HD13 ILE A 14 -6.631 12.813 3.082 1.00 1.34 H new ATOM 219 N LEU A 15 -3.765 9.133 6.789 1.00 10.41 N ATOM 220 CA LEU A 15 -3.171 7.785 6.919 1.00 50.11 C ATOM 221 C LEU A 15 -3.526 7.151 8.275 1.00 33.12 C ATOM 222 O LEU A 15 -3.648 5.937 8.368 1.00 21.41 O ATOM 223 CB LEU A 15 -1.630 7.854 6.760 1.00 22.50 C ATOM 224 CG LEU A 15 -1.112 8.289 5.359 1.00 3.42 C ATOM 225 CD1 LEU A 15 0.412 8.519 5.377 1.00 5.42 C ATOM 226 CD2 LEU A 15 -1.524 7.262 4.275 1.00 2.13 C ATOM 0 H LEU A 15 -3.074 9.877 6.693 1.00 10.41 H new ATOM 0 HA LEU A 15 -3.585 7.161 6.127 1.00 50.11 H new ATOM 0 HB2 LEU A 15 -1.238 8.548 7.503 1.00 22.50 H new ATOM 0 HB3 LEU A 15 -1.216 6.873 6.991 1.00 22.50 H new ATOM 0 HG LEU A 15 -1.579 9.240 5.104 1.00 3.42 H new ATOM 0 HD11 LEU A 15 0.746 8.822 4.385 1.00 5.42 H new ATOM 0 HD12 LEU A 15 0.653 9.302 6.096 1.00 5.42 H new ATOM 0 HD13 LEU A 15 0.916 7.596 5.663 1.00 5.42 H new ATOM 0 HD21 LEU A 15 -1.150 7.588 3.304 1.00 2.13 H new ATOM 0 HD22 LEU A 15 -1.101 6.287 4.518 1.00 2.13 H new ATOM 0 HD23 LEU A 15 -2.611 7.187 4.239 1.00 2.13 H new ATOM 238 N GLU A 16 -3.666 7.995 9.312 1.00 21.34 N ATOM 239 CA GLU A 16 -3.994 7.547 10.681 1.00 1.43 C ATOM 240 C GLU A 16 -5.473 7.130 10.819 1.00 41.11 C ATOM 241 O GLU A 16 -5.774 6.129 11.470 1.00 53.11 O ATOM 242 CB GLU A 16 -3.644 8.650 11.705 1.00 11.25 C ATOM 243 CG GLU A 16 -2.165 9.091 11.683 1.00 20.01 C ATOM 244 CD GLU A 16 -1.188 7.915 11.847 1.00 25.02 C ATOM 245 OE1 GLU A 16 -1.126 7.333 12.959 1.00 41.12 O ATOM 246 OE2 GLU A 16 -0.474 7.568 10.879 1.00 3.34 O ATOM 0 H GLU A 16 -3.556 9.005 9.227 1.00 21.34 H new ATOM 0 HA GLU A 16 -3.390 6.663 10.888 1.00 1.43 H new ATOM 0 HB2 GLU A 16 -4.273 9.519 11.514 1.00 11.25 H new ATOM 0 HB3 GLU A 16 -3.889 8.292 12.705 1.00 11.25 H new ATOM 0 HG2 GLU A 16 -1.957 9.601 10.742 1.00 20.01 H new ATOM 0 HG3 GLU A 16 -1.994 9.813 12.482 1.00 20.01 H new ATOM 253 N GLU A 17 -6.384 7.912 10.209 1.00 22.33 N ATOM 254 CA GLU A 17 -7.826 7.591 10.163 1.00 64.33 C ATOM 255 C GLU A 17 -8.027 6.280 9.389 1.00 54.25 C ATOM 256 O GLU A 17 -8.673 5.343 9.867 1.00 2.13 O ATOM 257 CB GLU A 17 -8.599 8.746 9.466 1.00 3.12 C ATOM 258 CG GLU A 17 -10.108 8.488 9.305 1.00 51.42 C ATOM 259 CD GLU A 17 -10.830 9.546 8.454 1.00 72.15 C ATOM 260 OE1 GLU A 17 -10.638 9.554 7.218 1.00 35.30 O ATOM 261 OE2 GLU A 17 -11.653 10.323 9.001 1.00 62.33 O ATOM 0 H GLU A 17 -6.143 8.782 9.735 1.00 22.33 H new ATOM 0 HA GLU A 17 -8.209 7.474 11.177 1.00 64.33 H new ATOM 0 HB2 GLU A 17 -8.458 9.661 10.040 1.00 3.12 H new ATOM 0 HB3 GLU A 17 -8.164 8.917 8.481 1.00 3.12 H new ATOM 0 HG2 GLU A 17 -10.253 7.508 8.850 1.00 51.42 H new ATOM 0 HG3 GLU A 17 -10.569 8.453 10.292 1.00 51.42 H new ATOM 268 N LEU A 18 -7.404 6.255 8.203 1.00 2.40 N ATOM 269 CA LEU A 18 -7.405 5.122 7.272 1.00 3.32 C ATOM 270 C LEU A 18 -6.751 3.871 7.905 1.00 14.23 C ATOM 271 O LEU A 18 -7.171 2.747 7.618 1.00 53.35 O ATOM 272 CB LEU A 18 -6.670 5.539 5.958 1.00 22.43 C ATOM 273 CG LEU A 18 -7.522 6.225 4.828 1.00 42.22 C ATOM 274 CD1 LEU A 18 -8.437 7.356 5.346 1.00 44.53 C ATOM 275 CD2 LEU A 18 -6.582 6.725 3.707 1.00 31.12 C ATOM 0 H LEU A 18 -6.868 7.050 7.855 1.00 2.40 H new ATOM 0 HA LEU A 18 -8.436 4.856 7.038 1.00 3.32 H new ATOM 0 HB2 LEU A 18 -5.862 6.219 6.228 1.00 22.43 H new ATOM 0 HB3 LEU A 18 -6.208 4.647 5.535 1.00 22.43 H new ATOM 0 HG LEU A 18 -8.200 5.471 4.428 1.00 42.22 H new ATOM 0 HD11 LEU A 18 -8.994 7.783 4.513 1.00 44.53 H new ATOM 0 HD12 LEU A 18 -9.134 6.952 6.080 1.00 44.53 H new ATOM 0 HD13 LEU A 18 -7.829 8.132 5.812 1.00 44.53 H new ATOM 0 HD21 LEU A 18 -7.171 7.201 2.923 1.00 31.12 H new ATOM 0 HD22 LEU A 18 -5.876 7.446 4.119 1.00 31.12 H new ATOM 0 HD23 LEU A 18 -6.035 5.881 3.288 1.00 31.12 H new ATOM 287 N LEU A 19 -5.727 4.086 8.763 1.00 22.52 N ATOM 288 CA LEU A 19 -5.029 3.006 9.505 1.00 15.24 C ATOM 289 C LEU A 19 -6.041 2.218 10.335 1.00 12.22 C ATOM 290 O LEU A 19 -6.080 0.989 10.306 1.00 13.30 O ATOM 291 CB LEU A 19 -3.953 3.608 10.450 1.00 73.55 C ATOM 292 CG LEU A 19 -3.046 2.592 11.228 1.00 11.43 C ATOM 293 CD1 LEU A 19 -1.823 2.162 10.394 1.00 64.32 C ATOM 294 CD2 LEU A 19 -2.632 3.146 12.604 1.00 24.41 C ATOM 0 H LEU A 19 -5.359 5.016 8.962 1.00 22.52 H new ATOM 0 HA LEU A 19 -4.544 2.345 8.786 1.00 15.24 H new ATOM 0 HB2 LEU A 19 -3.307 4.257 9.859 1.00 73.55 H new ATOM 0 HB3 LEU A 19 -4.458 4.241 11.180 1.00 73.55 H new ATOM 0 HG LEU A 19 -3.641 1.696 11.405 1.00 11.43 H new ATOM 0 HD11 LEU A 19 -1.220 1.458 10.968 1.00 64.32 H new ATOM 0 HD12 LEU A 19 -2.160 1.685 9.474 1.00 64.32 H new ATOM 0 HD13 LEU A 19 -1.223 3.039 10.150 1.00 64.32 H new ATOM 0 HD21 LEU A 19 -2.004 2.417 13.116 1.00 24.41 H new ATOM 0 HD22 LEU A 19 -2.075 4.074 12.470 1.00 24.41 H new ATOM 0 HD23 LEU A 19 -3.523 3.341 13.201 1.00 24.41 H new ATOM 306 N GLU A 20 -6.881 2.988 11.030 1.00 50.34 N ATOM 307 CA GLU A 20 -7.904 2.487 11.946 1.00 2.33 C ATOM 308 C GLU A 20 -9.060 1.816 11.193 1.00 12.32 C ATOM 309 O GLU A 20 -9.672 0.884 11.718 1.00 13.13 O ATOM 310 CB GLU A 20 -8.397 3.661 12.807 1.00 52.13 C ATOM 311 CG GLU A 20 -7.268 4.318 13.625 1.00 20.43 C ATOM 312 CD GLU A 20 -7.746 5.505 14.471 1.00 45.24 C ATOM 313 OE1 GLU A 20 -8.437 5.272 15.493 1.00 42.33 O ATOM 314 OE2 GLU A 20 -7.443 6.672 14.129 1.00 65.11 O ATOM 0 H GLU A 20 -6.867 4.006 10.968 1.00 50.34 H new ATOM 0 HA GLU A 20 -7.474 1.718 12.587 1.00 2.33 H new ATOM 0 HB2 GLU A 20 -8.856 4.411 12.162 1.00 52.13 H new ATOM 0 HB3 GLU A 20 -9.173 3.307 13.486 1.00 52.13 H new ATOM 0 HG2 GLU A 20 -6.820 3.570 14.280 1.00 20.43 H new ATOM 0 HG3 GLU A 20 -6.486 4.656 12.946 1.00 20.43 H new ATOM 321 N VAL A 21 -9.347 2.293 9.962 1.00 32.42 N ATOM 322 CA VAL A 21 -10.364 1.681 9.079 1.00 61.44 C ATOM 323 C VAL A 21 -9.946 0.242 8.709 1.00 53.22 C ATOM 324 O VAL A 21 -10.783 -0.667 8.648 1.00 40.12 O ATOM 325 CB VAL A 21 -10.605 2.532 7.773 1.00 71.35 C ATOM 326 CG1 VAL A 21 -11.647 1.871 6.839 1.00 42.35 C ATOM 327 CG2 VAL A 21 -11.035 3.973 8.128 1.00 14.05 C ATOM 0 H VAL A 21 -8.885 3.106 9.555 1.00 32.42 H new ATOM 0 HA VAL A 21 -11.305 1.657 9.629 1.00 61.44 H new ATOM 0 HB VAL A 21 -9.658 2.572 7.235 1.00 71.35 H new ATOM 0 HG11 VAL A 21 -11.784 2.489 5.951 1.00 42.35 H new ATOM 0 HG12 VAL A 21 -11.295 0.883 6.543 1.00 42.35 H new ATOM 0 HG13 VAL A 21 -12.597 1.775 7.364 1.00 42.35 H new ATOM 0 HG21 VAL A 21 -11.195 4.541 7.212 1.00 14.05 H new ATOM 0 HG22 VAL A 21 -11.960 3.945 8.704 1.00 14.05 H new ATOM 0 HG23 VAL A 21 -10.254 4.451 8.719 1.00 14.05 H new ATOM 337 N VAL A 22 -8.634 0.048 8.505 1.00 54.20 N ATOM 338 CA VAL A 22 -8.059 -1.269 8.197 1.00 53.22 C ATOM 339 C VAL A 22 -8.043 -2.149 9.466 1.00 71.14 C ATOM 340 O VAL A 22 -8.432 -3.313 9.418 1.00 52.32 O ATOM 341 CB VAL A 22 -6.605 -1.136 7.612 1.00 74.13 C ATOM 342 CG1 VAL A 22 -6.014 -2.509 7.244 1.00 33.34 C ATOM 343 CG2 VAL A 22 -6.585 -0.205 6.392 1.00 21.10 C ATOM 0 H VAL A 22 -7.944 0.798 8.549 1.00 54.20 H new ATOM 0 HA VAL A 22 -8.684 -1.741 7.439 1.00 53.22 H new ATOM 0 HB VAL A 22 -5.983 -0.700 8.393 1.00 74.13 H new ATOM 0 HG11 VAL A 22 -5.009 -2.377 6.843 1.00 33.34 H new ATOM 0 HG12 VAL A 22 -5.970 -3.137 8.134 1.00 33.34 H new ATOM 0 HG13 VAL A 22 -6.644 -2.987 6.494 1.00 33.34 H new ATOM 0 HG21 VAL A 22 -5.568 -0.131 6.007 1.00 21.10 H new ATOM 0 HG22 VAL A 22 -7.238 -0.607 5.617 1.00 21.10 H new ATOM 0 HG23 VAL A 22 -6.935 0.785 6.684 1.00 21.10 H new ATOM 353 N LEU A 23 -7.634 -1.544 10.601 1.00 63.20 N ATOM 354 CA LEU A 23 -7.514 -2.233 11.908 1.00 32.11 C ATOM 355 C LEU A 23 -8.867 -2.787 12.413 1.00 71.31 C ATOM 356 O LEU A 23 -8.912 -3.891 12.966 1.00 33.03 O ATOM 357 CB LEU A 23 -6.883 -1.264 12.954 1.00 13.21 C ATOM 358 CG LEU A 23 -5.356 -0.976 12.777 1.00 44.23 C ATOM 359 CD1 LEU A 23 -4.872 0.140 13.729 1.00 61.12 C ATOM 360 CD2 LEU A 23 -4.525 -2.267 12.962 1.00 71.13 C ATOM 0 H LEU A 23 -7.376 -0.558 10.639 1.00 63.20 H new ATOM 0 HA LEU A 23 -6.861 -3.095 11.771 1.00 32.11 H new ATOM 0 HB2 LEU A 23 -7.420 -0.316 12.914 1.00 13.21 H new ATOM 0 HB3 LEU A 23 -7.043 -1.679 13.949 1.00 13.21 H new ATOM 0 HG LEU A 23 -5.205 -0.620 11.758 1.00 44.23 H new ATOM 0 HD11 LEU A 23 -3.806 0.312 13.577 1.00 61.12 H new ATOM 0 HD12 LEU A 23 -5.421 1.059 13.521 1.00 61.12 H new ATOM 0 HD13 LEU A 23 -5.047 -0.162 14.762 1.00 61.12 H new ATOM 0 HD21 LEU A 23 -3.467 -2.040 12.834 1.00 71.13 H new ATOM 0 HD22 LEU A 23 -4.692 -2.667 13.962 1.00 71.13 H new ATOM 0 HD23 LEU A 23 -4.830 -3.005 12.220 1.00 71.13 H new ATOM 372 N LYS A 24 -9.964 -2.024 12.217 1.00 10.33 N ATOM 373 CA LYS A 24 -11.318 -2.450 12.658 1.00 33.15 C ATOM 374 C LYS A 24 -11.886 -3.519 11.700 1.00 52.03 C ATOM 375 O LYS A 24 -12.617 -4.419 12.125 1.00 65.10 O ATOM 376 CB LYS A 24 -12.286 -1.216 12.838 1.00 54.02 C ATOM 377 CG LYS A 24 -12.610 -0.354 11.577 1.00 44.45 C ATOM 378 CD LYS A 24 -13.690 -0.960 10.641 1.00 64.32 C ATOM 379 CE LYS A 24 -13.955 -0.108 9.387 1.00 64.30 C ATOM 380 NZ LYS A 24 -14.566 1.209 9.717 1.00 52.54 N ATOM 0 H LYS A 24 -9.943 -1.113 11.759 1.00 10.33 H new ATOM 0 HA LYS A 24 -11.232 -2.910 13.642 1.00 33.15 H new ATOM 0 HB2 LYS A 24 -13.228 -1.586 13.242 1.00 54.02 H new ATOM 0 HB3 LYS A 24 -11.853 -0.558 13.591 1.00 54.02 H new ATOM 0 HG2 LYS A 24 -12.942 0.632 11.902 1.00 44.45 H new ATOM 0 HG3 LYS A 24 -11.693 -0.210 11.006 1.00 44.45 H new ATOM 0 HD2 LYS A 24 -13.377 -1.958 10.334 1.00 64.32 H new ATOM 0 HD3 LYS A 24 -14.620 -1.075 11.197 1.00 64.32 H new ATOM 0 HE2 LYS A 24 -13.017 0.052 8.855 1.00 64.30 H new ATOM 0 HE3 LYS A 24 -14.615 -0.654 8.713 1.00 64.30 H new ATOM 0 HZ1 LYS A 24 -14.741 1.740 8.840 1.00 52.54 H new ATOM 0 HZ2 LYS A 24 -15.466 1.059 10.217 1.00 52.54 H new ATOM 0 HZ3 LYS A 24 -13.918 1.750 10.325 1.00 52.54 H new ATOM 394 N SER A 25 -11.526 -3.408 10.407 1.00 62.53 N ATOM 395 CA SER A 25 -11.994 -4.329 9.353 1.00 64.30 C ATOM 396 C SER A 25 -11.242 -5.669 9.429 1.00 23.24 C ATOM 397 O SER A 25 -11.787 -6.718 9.060 1.00 44.32 O ATOM 398 CB SER A 25 -11.808 -3.667 7.971 1.00 62.02 C ATOM 399 OG SER A 25 -12.211 -4.519 6.912 1.00 44.21 O ATOM 0 H SER A 25 -10.903 -2.677 10.064 1.00 62.53 H new ATOM 0 HA SER A 25 -13.053 -4.537 9.504 1.00 64.30 H new ATOM 0 HB2 SER A 25 -12.385 -2.743 7.932 1.00 62.02 H new ATOM 0 HB3 SER A 25 -10.761 -3.395 7.838 1.00 62.02 H new ATOM 0 HG SER A 25 -11.500 -5.166 6.724 1.00 44.21 H new ATOM 405 N ASP A 26 -9.995 -5.612 9.938 1.00 43.45 N ATOM 406 CA ASP A 26 -9.134 -6.790 10.144 1.00 24.04 C ATOM 407 C ASP A 26 -7.939 -6.383 11.051 1.00 70.10 C ATOM 408 O ASP A 26 -7.061 -5.632 10.608 1.00 42.11 O ATOM 409 CB ASP A 26 -8.611 -7.362 8.791 1.00 34.33 C ATOM 410 CG ASP A 26 -8.031 -8.785 8.910 1.00 53.01 C ATOM 411 OD1 ASP A 26 -6.974 -8.964 9.541 1.00 23.13 O ATOM 412 OD2 ASP A 26 -8.632 -9.733 8.365 1.00 54.42 O ATOM 0 H ASP A 26 -9.554 -4.736 10.220 1.00 43.45 H new ATOM 0 HA ASP A 26 -9.721 -7.574 10.623 1.00 24.04 H new ATOM 0 HB2 ASP A 26 -9.427 -7.370 8.069 1.00 34.33 H new ATOM 0 HB3 ASP A 26 -7.843 -6.697 8.397 1.00 34.33 H new ATOM 417 N PRO A 27 -7.891 -6.858 12.335 1.00 42.15 N ATOM 418 CA PRO A 27 -6.786 -6.518 13.286 1.00 34.31 C ATOM 419 C PRO A 27 -5.512 -7.371 13.093 1.00 13.32 C ATOM 420 O PRO A 27 -4.492 -7.133 13.752 1.00 53.45 O ATOM 421 CB PRO A 27 -7.445 -6.817 14.649 1.00 54.32 C ATOM 422 CG PRO A 27 -8.337 -7.992 14.366 1.00 13.33 C ATOM 423 CD PRO A 27 -8.913 -7.737 12.985 1.00 30.55 C ATOM 0 HA PRO A 27 -6.428 -5.497 13.157 1.00 34.31 H new ATOM 0 HB2 PRO A 27 -6.701 -7.054 15.410 1.00 54.32 H new ATOM 0 HB3 PRO A 27 -8.014 -5.962 15.014 1.00 54.32 H new ATOM 0 HG2 PRO A 27 -7.776 -8.926 14.391 1.00 13.33 H new ATOM 0 HG3 PRO A 27 -9.127 -8.074 15.112 1.00 13.33 H new ATOM 0 HD2 PRO A 27 -9.054 -8.665 12.432 1.00 30.55 H new ATOM 0 HD3 PRO A 27 -9.886 -7.248 13.040 1.00 30.55 H new ATOM 431 N ASN A 28 -5.593 -8.363 12.198 1.00 1.21 N ATOM 432 CA ASN A 28 -4.554 -9.393 12.013 1.00 22.23 C ATOM 433 C ASN A 28 -3.575 -9.004 10.884 1.00 61.32 C ATOM 434 O ASN A 28 -2.395 -9.384 10.928 1.00 53.11 O ATOM 435 CB ASN A 28 -5.259 -10.740 11.716 1.00 44.12 C ATOM 436 CG ASN A 28 -4.324 -11.921 11.464 1.00 12.12 C ATOM 437 OD1 ASN A 28 -3.251 -12.049 12.060 1.00 14.44 O ATOM 438 ND2 ASN A 28 -4.729 -12.797 10.564 1.00 3.23 N ATOM 0 H ASN A 28 -6.390 -8.478 11.572 1.00 1.21 H new ATOM 0 HA ASN A 28 -3.956 -9.485 12.920 1.00 22.23 H new ATOM 0 HB2 ASN A 28 -5.909 -10.985 12.556 1.00 44.12 H new ATOM 0 HB3 ASN A 28 -5.900 -10.612 10.844 1.00 44.12 H new ATOM 0 HD21 ASN A 28 -4.150 -13.607 10.344 1.00 3.23 H new ATOM 0 HD22 ASN A 28 -5.621 -12.664 10.088 1.00 3.23 H new ATOM 445 N VAL A 29 -4.058 -8.243 9.877 1.00 53.41 N ATOM 446 CA VAL A 29 -3.207 -7.762 8.761 1.00 2.33 C ATOM 447 C VAL A 29 -2.188 -6.712 9.251 1.00 45.44 C ATOM 448 O VAL A 29 -2.448 -5.985 10.222 1.00 35.44 O ATOM 449 CB VAL A 29 -4.042 -7.190 7.554 1.00 32.32 C ATOM 450 CG1 VAL A 29 -4.890 -8.300 6.909 1.00 61.21 C ATOM 451 CG2 VAL A 29 -4.926 -5.991 7.961 1.00 53.43 C ATOM 0 H VAL A 29 -5.032 -7.948 9.812 1.00 53.41 H new ATOM 0 HA VAL A 29 -2.669 -8.635 8.393 1.00 2.33 H new ATOM 0 HB VAL A 29 -3.328 -6.819 6.819 1.00 32.32 H new ATOM 0 HG11 VAL A 29 -5.460 -7.886 6.077 1.00 61.21 H new ATOM 0 HG12 VAL A 29 -4.236 -9.091 6.542 1.00 61.21 H new ATOM 0 HG13 VAL A 29 -5.576 -8.711 7.650 1.00 61.21 H new ATOM 0 HG21 VAL A 29 -5.480 -5.636 7.092 1.00 53.43 H new ATOM 0 HG22 VAL A 29 -5.627 -6.302 8.736 1.00 53.43 H new ATOM 0 HG23 VAL A 29 -4.296 -5.188 8.343 1.00 53.43 H new ATOM 461 N LYS A 30 -1.024 -6.649 8.573 1.00 41.44 N ATOM 462 CA LYS A 30 0.115 -5.830 9.022 1.00 34.21 C ATOM 463 C LYS A 30 0.031 -4.406 8.450 1.00 50.23 C ATOM 464 O LYS A 30 0.372 -4.158 7.289 1.00 11.45 O ATOM 465 CB LYS A 30 1.469 -6.523 8.673 1.00 11.23 C ATOM 466 CG LYS A 30 1.614 -7.969 9.234 1.00 72.53 C ATOM 467 CD LYS A 30 1.239 -8.109 10.739 1.00 64.31 C ATOM 468 CE LYS A 30 2.045 -7.192 11.684 1.00 61.23 C ATOM 469 NZ LYS A 30 3.502 -7.425 11.581 1.00 2.45 N ATOM 0 H LYS A 30 -0.850 -7.160 7.707 1.00 41.44 H new ATOM 0 HA LYS A 30 0.067 -5.741 10.107 1.00 34.21 H new ATOM 0 HB2 LYS A 30 1.579 -6.554 7.589 1.00 11.23 H new ATOM 0 HB3 LYS A 30 2.286 -5.913 9.059 1.00 11.23 H new ATOM 0 HG2 LYS A 30 0.983 -8.639 8.650 1.00 72.53 H new ATOM 0 HG3 LYS A 30 2.643 -8.299 9.095 1.00 72.53 H new ATOM 0 HD2 LYS A 30 0.178 -7.891 10.858 1.00 64.31 H new ATOM 0 HD3 LYS A 30 1.388 -9.145 11.043 1.00 64.31 H new ATOM 0 HE2 LYS A 30 1.828 -6.150 11.449 1.00 61.23 H new ATOM 0 HE3 LYS A 30 1.724 -7.360 12.712 1.00 61.23 H new ATOM 0 HZ1 LYS A 30 3.930 -7.368 12.527 1.00 2.45 H new ATOM 0 HZ2 LYS A 30 3.675 -8.368 11.179 1.00 2.45 H new ATOM 0 HZ3 LYS A 30 3.926 -6.703 10.965 1.00 2.45 H new ATOM 483 N THR A 31 -0.490 -3.499 9.288 1.00 12.22 N ATOM 484 CA THR A 31 -0.643 -2.069 8.985 1.00 33.43 C ATOM 485 C THR A 31 0.568 -1.298 9.532 1.00 44.41 C ATOM 486 O THR A 31 0.758 -1.214 10.751 1.00 33.35 O ATOM 487 CB THR A 31 -1.960 -1.519 9.622 1.00 14.30 C ATOM 488 OG1 THR A 31 -1.905 -1.598 11.062 1.00 51.31 O ATOM 489 CG2 THR A 31 -3.184 -2.294 9.139 1.00 32.41 C ATOM 0 H THR A 31 -0.825 -3.746 10.219 1.00 12.22 H new ATOM 0 HA THR A 31 -0.698 -1.936 7.905 1.00 33.43 H new ATOM 0 HB THR A 31 -2.050 -0.478 9.310 1.00 14.30 H new ATOM 0 HG1 THR A 31 -0.969 -1.619 11.353 1.00 51.31 H new ATOM 0 HG21 THR A 31 -4.081 -1.884 9.603 1.00 32.41 H new ATOM 0 HG22 THR A 31 -3.264 -2.209 8.055 1.00 32.41 H new ATOM 0 HG23 THR A 31 -3.082 -3.344 9.414 1.00 32.41 H new ATOM 497 N VAL A 32 1.422 -0.774 8.635 1.00 74.03 N ATOM 498 CA VAL A 32 2.692 -0.131 9.028 1.00 22.32 C ATOM 499 C VAL A 32 2.858 1.219 8.311 1.00 62.53 C ATOM 500 O VAL A 32 2.951 1.260 7.081 1.00 11.42 O ATOM 501 CB VAL A 32 3.931 -1.060 8.698 1.00 31.24 C ATOM 502 CG1 VAL A 32 5.252 -0.472 9.248 1.00 74.44 C ATOM 503 CG2 VAL A 32 3.712 -2.502 9.211 1.00 43.25 C ATOM 0 H VAL A 32 1.256 -0.783 7.629 1.00 74.03 H new ATOM 0 HA VAL A 32 2.657 0.034 10.105 1.00 22.32 H new ATOM 0 HB VAL A 32 4.016 -1.101 7.612 1.00 31.24 H new ATOM 0 HG11 VAL A 32 6.078 -1.139 9.001 1.00 74.44 H new ATOM 0 HG12 VAL A 32 5.429 0.506 8.801 1.00 74.44 H new ATOM 0 HG13 VAL A 32 5.181 -0.368 10.331 1.00 74.44 H new ATOM 0 HG21 VAL A 32 4.582 -3.111 8.967 1.00 43.25 H new ATOM 0 HG22 VAL A 32 3.572 -2.486 10.292 1.00 43.25 H new ATOM 0 HG23 VAL A 32 2.827 -2.927 8.736 1.00 43.25 H new ATOM 513 N ARG A 33 2.865 2.322 9.086 1.00 61.12 N ATOM 514 CA ARG A 33 3.282 3.645 8.595 1.00 15.45 C ATOM 515 C ARG A 33 4.661 4.008 9.175 1.00 53.03 C ATOM 516 O ARG A 33 4.793 4.239 10.381 1.00 11.05 O ATOM 517 CB ARG A 33 2.202 4.770 8.845 1.00 61.54 C ATOM 518 CG ARG A 33 1.287 4.650 10.090 1.00 34.05 C ATOM 519 CD ARG A 33 1.968 5.010 11.423 1.00 44.51 C ATOM 520 NE ARG A 33 0.970 5.252 12.478 1.00 65.43 N ATOM 521 CZ ARG A 33 0.678 4.430 13.493 1.00 43.42 C ATOM 522 NH1 ARG A 33 1.304 3.262 13.635 1.00 55.53 N ATOM 523 NH2 ARG A 33 -0.267 4.774 14.353 1.00 21.03 N ATOM 0 H ARG A 33 2.582 2.318 10.066 1.00 61.12 H new ATOM 0 HA ARG A 33 3.371 3.584 7.510 1.00 15.45 H new ATOM 0 HB2 ARG A 33 2.725 5.724 8.908 1.00 61.54 H new ATOM 0 HB3 ARG A 33 1.561 4.816 7.965 1.00 61.54 H new ATOM 0 HG2 ARG A 33 0.422 5.298 9.952 1.00 34.05 H new ATOM 0 HG3 ARG A 33 0.913 3.628 10.153 1.00 34.05 H new ATOM 0 HD2 ARG A 33 2.633 4.201 11.726 1.00 44.51 H new ATOM 0 HD3 ARG A 33 2.586 5.898 11.291 1.00 44.51 H new ATOM 0 HE ARG A 33 0.452 6.129 12.431 1.00 65.43 H new ATOM 0 HH11 ARG A 33 2.019 2.982 12.964 1.00 55.53 H new ATOM 0 HH12 ARG A 33 1.068 2.648 14.415 1.00 55.53 H new ATOM 0 HH21 ARG A 33 -0.764 5.657 14.238 1.00 21.03 H new ATOM 0 HH22 ARG A 33 -0.498 4.156 15.131 1.00 21.03 H new ATOM 537 N THR A 34 5.689 3.992 8.301 1.00 35.25 N ATOM 538 CA THR A 34 7.072 4.349 8.662 1.00 53.04 C ATOM 539 C THR A 34 7.955 4.411 7.402 1.00 52.53 C ATOM 540 O THR A 34 7.560 3.940 6.323 1.00 65.11 O ATOM 541 CB THR A 34 7.695 3.344 9.699 1.00 12.33 C ATOM 542 OG1 THR A 34 8.896 3.896 10.260 1.00 71.13 O ATOM 543 CG2 THR A 34 8.008 1.961 9.081 1.00 15.22 C ATOM 0 H THR A 34 5.580 3.730 7.321 1.00 35.25 H new ATOM 0 HA THR A 34 7.036 5.331 9.134 1.00 53.04 H new ATOM 0 HB THR A 34 6.947 3.193 10.477 1.00 12.33 H new ATOM 0 HG1 THR A 34 9.639 3.272 10.121 1.00 71.13 H new ATOM 0 HG21 THR A 34 8.436 1.310 9.844 1.00 15.22 H new ATOM 0 HG22 THR A 34 7.089 1.517 8.699 1.00 15.22 H new ATOM 0 HG23 THR A 34 8.720 2.080 8.265 1.00 15.22 H new ATOM 551 N ASP A 35 9.161 4.976 7.558 1.00 73.33 N ATOM 552 CA ASP A 35 10.167 5.051 6.494 1.00 61.23 C ATOM 553 C ASP A 35 11.427 4.292 6.936 1.00 30.31 C ATOM 554 O ASP A 35 12.340 4.868 7.543 1.00 24.51 O ATOM 555 CB ASP A 35 10.474 6.535 6.167 1.00 64.25 C ATOM 556 CG ASP A 35 11.461 6.703 4.994 1.00 50.33 C ATOM 557 OD1 ASP A 35 11.037 6.567 3.829 1.00 64.02 O ATOM 558 OD2 ASP A 35 12.667 6.977 5.227 1.00 5.04 O ATOM 0 H ASP A 35 9.466 5.397 8.435 1.00 73.33 H new ATOM 0 HA ASP A 35 9.790 4.584 5.584 1.00 61.23 H new ATOM 0 HB2 ASP A 35 9.543 7.048 5.927 1.00 64.25 H new ATOM 0 HB3 ASP A 35 10.886 7.019 7.053 1.00 64.25 H new ATOM 563 N ASP A 36 11.418 2.966 6.712 1.00 24.24 N ATOM 564 CA ASP A 36 12.582 2.075 6.986 1.00 3.54 C ATOM 565 C ASP A 36 12.934 1.247 5.742 1.00 52.42 C ATOM 566 O ASP A 36 14.103 0.867 5.583 1.00 43.14 O ATOM 567 CB ASP A 36 12.318 1.117 8.185 1.00 62.03 C ATOM 568 CG ASP A 36 12.305 1.822 9.550 1.00 14.32 C ATOM 569 OD1 ASP A 36 11.246 2.315 9.961 1.00 35.33 O ATOM 570 OD2 ASP A 36 13.364 1.884 10.222 1.00 72.42 O ATOM 0 H ASP A 36 10.608 2.473 6.336 1.00 24.24 H new ATOM 0 HA ASP A 36 13.420 2.722 7.246 1.00 3.54 H new ATOM 0 HB2 ASP A 36 11.361 0.618 8.035 1.00 62.03 H new ATOM 0 HB3 ASP A 36 13.084 0.342 8.194 1.00 62.03 H new ATOM 575 N LYS A 37 11.902 0.942 4.903 1.00 42.42 N ATOM 576 CA LYS A 37 12.030 0.204 3.613 1.00 51.13 C ATOM 577 C LYS A 37 12.244 -1.310 3.838 1.00 14.51 C ATOM 578 O LYS A 37 11.398 -2.134 3.458 1.00 33.43 O ATOM 579 CB LYS A 37 13.156 0.818 2.731 1.00 32.34 C ATOM 580 CG LYS A 37 13.269 0.263 1.295 1.00 53.33 C ATOM 581 CD LYS A 37 14.372 0.985 0.478 1.00 14.12 C ATOM 582 CE LYS A 37 14.192 2.514 0.417 1.00 73.30 C ATOM 583 NZ LYS A 37 15.337 3.183 -0.257 1.00 33.30 N ATOM 0 H LYS A 37 10.939 1.208 5.110 1.00 42.42 H new ATOM 0 HA LYS A 37 11.089 0.314 3.075 1.00 51.13 H new ATOM 0 HB2 LYS A 37 12.997 1.895 2.672 1.00 32.34 H new ATOM 0 HB3 LYS A 37 14.110 0.664 3.235 1.00 32.34 H new ATOM 0 HG2 LYS A 37 13.487 -0.804 1.335 1.00 53.33 H new ATOM 0 HG3 LYS A 37 12.311 0.373 0.787 1.00 53.33 H new ATOM 0 HD2 LYS A 37 15.344 0.759 0.916 1.00 14.12 H new ATOM 0 HD3 LYS A 37 14.380 0.588 -0.537 1.00 14.12 H new ATOM 0 HE2 LYS A 37 13.270 2.750 -0.115 1.00 73.30 H new ATOM 0 HE3 LYS A 37 14.086 2.907 1.428 1.00 73.30 H new ATOM 0 HZ1 LYS A 37 15.176 4.210 -0.277 1.00 33.30 H new ATOM 0 HZ2 LYS A 37 16.214 2.980 0.264 1.00 33.30 H new ATOM 0 HZ3 LYS A 37 15.423 2.827 -1.230 1.00 33.30 H new ATOM 597 N GLU A 38 13.386 -1.652 4.466 1.00 72.33 N ATOM 598 CA GLU A 38 13.726 -3.020 4.903 1.00 52.55 C ATOM 599 C GLU A 38 12.650 -3.607 5.838 1.00 24.03 C ATOM 600 O GLU A 38 12.336 -4.794 5.749 1.00 65.12 O ATOM 601 CB GLU A 38 15.115 -3.020 5.603 1.00 53.12 C ATOM 602 CG GLU A 38 15.236 -2.055 6.804 1.00 2.44 C ATOM 603 CD GLU A 38 16.629 -2.059 7.453 1.00 13.04 C ATOM 604 OE1 GLU A 38 16.883 -2.910 8.333 1.00 70.11 O ATOM 605 OE2 GLU A 38 17.472 -1.204 7.098 1.00 35.21 O ATOM 0 H GLU A 38 14.112 -0.971 4.688 1.00 72.33 H new ATOM 0 HA GLU A 38 13.767 -3.655 4.018 1.00 52.55 H new ATOM 0 HB2 GLU A 38 15.334 -4.032 5.944 1.00 53.12 H new ATOM 0 HB3 GLU A 38 15.877 -2.760 4.868 1.00 53.12 H new ATOM 0 HG2 GLU A 38 15.001 -1.044 6.473 1.00 2.44 H new ATOM 0 HG3 GLU A 38 14.493 -2.326 7.554 1.00 2.44 H new ATOM 612 N LYS A 39 12.068 -2.743 6.709 1.00 64.45 N ATOM 613 CA LYS A 39 11.015 -3.147 7.661 1.00 51.33 C ATOM 614 C LYS A 39 9.751 -3.606 6.928 1.00 42.43 C ATOM 615 O LYS A 39 9.148 -4.598 7.322 1.00 31.21 O ATOM 616 CB LYS A 39 10.671 -2.010 8.655 1.00 24.20 C ATOM 617 CG LYS A 39 9.565 -2.391 9.674 1.00 71.25 C ATOM 618 CD LYS A 39 9.322 -1.324 10.765 1.00 40.42 C ATOM 619 CE LYS A 39 8.249 -1.760 11.779 1.00 61.40 C ATOM 620 NZ LYS A 39 8.094 -0.774 12.880 1.00 34.40 N ATOM 0 H LYS A 39 12.317 -1.756 6.767 1.00 64.45 H new ATOM 0 HA LYS A 39 11.411 -3.987 8.232 1.00 51.33 H new ATOM 0 HB2 LYS A 39 11.573 -1.728 9.198 1.00 24.20 H new ATOM 0 HB3 LYS A 39 10.350 -1.133 8.094 1.00 24.20 H new ATOM 0 HG2 LYS A 39 8.633 -2.564 9.136 1.00 71.25 H new ATOM 0 HG3 LYS A 39 9.836 -3.332 10.154 1.00 71.25 H new ATOM 0 HD2 LYS A 39 10.256 -1.125 11.290 1.00 40.42 H new ATOM 0 HD3 LYS A 39 9.016 -0.390 10.295 1.00 40.42 H new ATOM 0 HE2 LYS A 39 7.295 -1.885 11.267 1.00 61.40 H new ATOM 0 HE3 LYS A 39 8.517 -2.731 12.196 1.00 61.40 H new ATOM 0 HZ1 LYS A 39 7.362 -1.104 13.541 1.00 34.40 H new ATOM 0 HZ2 LYS A 39 8.997 -0.673 13.385 1.00 34.40 H new ATOM 0 HZ3 LYS A 39 7.814 0.146 12.485 1.00 34.40 H new ATOM 634 N VAL A 40 9.387 -2.887 5.846 1.00 61.42 N ATOM 635 CA VAL A 40 8.222 -3.228 5.007 1.00 11.40 C ATOM 636 C VAL A 40 8.378 -4.656 4.454 1.00 24.34 C ATOM 637 O VAL A 40 7.431 -5.435 4.458 1.00 22.33 O ATOM 638 CB VAL A 40 8.046 -2.218 3.815 1.00 74.31 C ATOM 639 CG1 VAL A 40 6.910 -2.664 2.859 1.00 0.21 C ATOM 640 CG2 VAL A 40 7.816 -0.774 4.335 1.00 65.32 C ATOM 0 H VAL A 40 9.891 -2.058 5.531 1.00 61.42 H new ATOM 0 HA VAL A 40 7.332 -3.166 5.634 1.00 11.40 H new ATOM 0 HB VAL A 40 8.973 -2.218 3.241 1.00 74.31 H new ATOM 0 HG11 VAL A 40 6.815 -1.944 2.046 1.00 0.21 H new ATOM 0 HG12 VAL A 40 7.145 -3.646 2.448 1.00 0.21 H new ATOM 0 HG13 VAL A 40 5.971 -2.716 3.409 1.00 0.21 H new ATOM 0 HG21 VAL A 40 7.698 -0.097 3.489 1.00 65.32 H new ATOM 0 HG22 VAL A 40 6.916 -0.748 4.950 1.00 65.32 H new ATOM 0 HG23 VAL A 40 8.673 -0.462 4.932 1.00 65.32 H new ATOM 650 N LYS A 41 9.613 -4.972 4.025 1.00 3.35 N ATOM 651 CA LYS A 41 9.968 -6.283 3.459 1.00 2.14 C ATOM 652 C LYS A 41 9.848 -7.398 4.520 1.00 25.23 C ATOM 653 O LYS A 41 9.414 -8.503 4.202 1.00 22.13 O ATOM 654 CB LYS A 41 11.402 -6.235 2.881 1.00 42.21 C ATOM 655 CG LYS A 41 11.597 -5.177 1.776 1.00 4.03 C ATOM 656 CD LYS A 41 13.050 -5.132 1.257 1.00 53.03 C ATOM 657 CE LYS A 41 13.249 -4.087 0.155 1.00 43.21 C ATOM 658 NZ LYS A 41 14.655 -4.066 -0.340 1.00 2.55 N ATOM 0 H LYS A 41 10.397 -4.320 4.062 1.00 3.35 H new ATOM 0 HA LYS A 41 9.268 -6.513 2.655 1.00 2.14 H new ATOM 0 HB2 LYS A 41 12.103 -6.033 3.691 1.00 42.21 H new ATOM 0 HB3 LYS A 41 11.654 -7.216 2.479 1.00 42.21 H new ATOM 0 HG2 LYS A 41 10.924 -5.393 0.946 1.00 4.03 H new ATOM 0 HG3 LYS A 41 11.321 -4.196 2.163 1.00 4.03 H new ATOM 0 HD2 LYS A 41 13.722 -4.912 2.087 1.00 53.03 H new ATOM 0 HD3 LYS A 41 13.326 -6.115 0.875 1.00 53.03 H new ATOM 0 HE2 LYS A 41 12.575 -4.300 -0.674 1.00 43.21 H new ATOM 0 HE3 LYS A 41 12.983 -3.101 0.536 1.00 43.21 H new ATOM 0 HZ1 LYS A 41 14.817 -3.197 -0.888 1.00 2.55 H new ATOM 0 HZ2 LYS A 41 15.308 -4.092 0.469 1.00 2.55 H new ATOM 0 HZ3 LYS A 41 14.822 -4.894 -0.947 1.00 2.55 H new ATOM 672 N GLU A 42 10.219 -7.071 5.776 1.00 43.13 N ATOM 673 CA GLU A 42 10.092 -7.993 6.931 1.00 42.25 C ATOM 674 C GLU A 42 8.609 -8.285 7.208 1.00 13.12 C ATOM 675 O GLU A 42 8.220 -9.432 7.428 1.00 44.11 O ATOM 676 CB GLU A 42 10.762 -7.389 8.198 1.00 31.44 C ATOM 677 CG GLU A 42 12.263 -7.066 8.049 1.00 25.24 C ATOM 678 CD GLU A 42 12.884 -6.493 9.337 1.00 53.21 C ATOM 679 OE1 GLU A 42 12.821 -5.263 9.551 1.00 53.13 O ATOM 680 OE2 GLU A 42 13.418 -7.281 10.153 1.00 3.53 O ATOM 0 H GLU A 42 10.614 -6.163 6.020 1.00 43.13 H new ATOM 0 HA GLU A 42 10.602 -8.925 6.685 1.00 42.25 H new ATOM 0 HB2 GLU A 42 10.234 -6.475 8.469 1.00 31.44 H new ATOM 0 HB3 GLU A 42 10.636 -8.087 9.025 1.00 31.44 H new ATOM 0 HG2 GLU A 42 12.798 -7.972 7.766 1.00 25.24 H new ATOM 0 HG3 GLU A 42 12.397 -6.350 7.238 1.00 25.24 H new ATOM 687 N GLU A 43 7.789 -7.218 7.156 1.00 52.03 N ATOM 688 CA GLU A 43 6.341 -7.288 7.403 1.00 5.14 C ATOM 689 C GLU A 43 5.619 -8.037 6.263 1.00 2.14 C ATOM 690 O GLU A 43 4.569 -8.654 6.495 1.00 5.12 O ATOM 691 CB GLU A 43 5.762 -5.858 7.573 1.00 10.34 C ATOM 692 CG GLU A 43 6.369 -5.048 8.735 1.00 52.04 C ATOM 693 CD GLU A 43 6.016 -5.615 10.122 1.00 34.00 C ATOM 694 OE1 GLU A 43 4.946 -5.265 10.659 1.00 64.45 O ATOM 695 OE2 GLU A 43 6.797 -6.415 10.671 1.00 42.44 O ATOM 0 H GLU A 43 8.118 -6.277 6.939 1.00 52.03 H new ATOM 0 HA GLU A 43 6.175 -7.847 8.324 1.00 5.14 H new ATOM 0 HB2 GLU A 43 5.916 -5.307 6.645 1.00 10.34 H new ATOM 0 HB3 GLU A 43 4.685 -5.933 7.725 1.00 10.34 H new ATOM 0 HG2 GLU A 43 7.453 -5.024 8.625 1.00 52.04 H new ATOM 0 HG3 GLU A 43 6.020 -4.017 8.672 1.00 52.04 H new ATOM 702 N ILE A 44 6.191 -7.946 5.031 1.00 4.45 N ATOM 703 CA ILE A 44 5.744 -8.721 3.855 1.00 1.41 C ATOM 704 C ILE A 44 5.871 -10.220 4.168 1.00 0.13 C ATOM 705 O ILE A 44 4.902 -10.963 4.016 1.00 45.22 O ATOM 706 CB ILE A 44 6.572 -8.351 2.541 1.00 41.41 C ATOM 707 CG1 ILE A 44 6.131 -6.966 1.956 1.00 52.41 C ATOM 708 CG2 ILE A 44 6.488 -9.452 1.453 1.00 53.22 C ATOM 709 CD1 ILE A 44 6.904 -6.513 0.719 1.00 51.10 C ATOM 0 H ILE A 44 6.978 -7.328 4.832 1.00 4.45 H new ATOM 0 HA ILE A 44 4.703 -8.468 3.652 1.00 1.41 H new ATOM 0 HB ILE A 44 7.615 -8.280 2.849 1.00 41.41 H new ATOM 0 HG12 ILE A 44 5.071 -7.015 1.706 1.00 52.41 H new ATOM 0 HG13 ILE A 44 6.241 -6.209 2.732 1.00 52.41 H new ATOM 0 HG21 ILE A 44 7.069 -9.148 0.582 1.00 53.22 H new ATOM 0 HG22 ILE A 44 6.888 -10.386 1.848 1.00 53.22 H new ATOM 0 HG23 ILE A 44 5.448 -9.598 1.162 1.00 53.22 H new ATOM 0 HD11 ILE A 44 6.527 -5.545 0.389 1.00 51.10 H new ATOM 0 HD12 ILE A 44 7.963 -6.426 0.963 1.00 51.10 H new ATOM 0 HD13 ILE A 44 6.775 -7.244 -0.079 1.00 51.10 H new ATOM 721 N GLU A 45 7.069 -10.614 4.666 1.00 24.01 N ATOM 722 CA GLU A 45 7.403 -12.017 4.999 1.00 43.52 C ATOM 723 C GLU A 45 6.400 -12.602 5.994 1.00 64.40 C ATOM 724 O GLU A 45 5.864 -13.687 5.780 1.00 30.52 O ATOM 725 CB GLU A 45 8.832 -12.129 5.587 1.00 14.42 C ATOM 726 CG GLU A 45 9.933 -11.623 4.657 1.00 54.35 C ATOM 727 CD GLU A 45 11.347 -11.800 5.229 1.00 11.43 C ATOM 728 OE1 GLU A 45 11.822 -10.907 5.965 1.00 22.33 O ATOM 729 OE2 GLU A 45 11.991 -12.839 4.949 1.00 24.42 O ATOM 0 H GLU A 45 7.833 -9.963 4.848 1.00 24.01 H new ATOM 0 HA GLU A 45 7.356 -12.586 4.070 1.00 43.52 H new ATOM 0 HB2 GLU A 45 8.874 -11.568 6.520 1.00 14.42 H new ATOM 0 HB3 GLU A 45 9.031 -13.172 5.833 1.00 14.42 H new ATOM 0 HG2 GLU A 45 9.866 -12.151 3.706 1.00 54.35 H new ATOM 0 HG3 GLU A 45 9.764 -10.567 4.448 1.00 54.35 H new ATOM 736 N LYS A 46 6.145 -11.828 7.052 1.00 2.53 N ATOM 737 CA LYS A 46 5.249 -12.213 8.148 1.00 21.25 C ATOM 738 C LYS A 46 3.801 -12.368 7.648 1.00 20.53 C ATOM 739 O LYS A 46 3.102 -13.308 8.036 1.00 5.44 O ATOM 740 CB LYS A 46 5.362 -11.153 9.278 1.00 13.55 C ATOM 741 CG LYS A 46 6.801 -11.016 9.832 1.00 2.23 C ATOM 742 CD LYS A 46 7.016 -9.752 10.693 1.00 22.13 C ATOM 743 CE LYS A 46 8.502 -9.511 11.012 1.00 25.23 C ATOM 744 NZ LYS A 46 8.734 -8.246 11.768 1.00 22.02 N ATOM 0 H LYS A 46 6.560 -10.904 7.174 1.00 2.53 H new ATOM 0 HA LYS A 46 5.545 -13.184 8.544 1.00 21.25 H new ATOM 0 HB2 LYS A 46 5.031 -10.187 8.898 1.00 13.55 H new ATOM 0 HB3 LYS A 46 4.689 -11.423 10.092 1.00 13.55 H new ATOM 0 HG2 LYS A 46 7.036 -11.897 10.430 1.00 2.23 H new ATOM 0 HG3 LYS A 46 7.502 -11.000 8.998 1.00 2.23 H new ATOM 0 HD2 LYS A 46 6.614 -8.885 10.169 1.00 22.13 H new ATOM 0 HD3 LYS A 46 6.458 -9.849 11.624 1.00 22.13 H new ATOM 0 HE2 LYS A 46 8.885 -10.351 11.592 1.00 25.23 H new ATOM 0 HE3 LYS A 46 9.068 -9.482 10.081 1.00 25.23 H new ATOM 0 HZ1 LYS A 46 9.709 -7.921 11.610 1.00 22.02 H new ATOM 0 HZ2 LYS A 46 8.069 -7.518 11.438 1.00 22.02 H new ATOM 0 HZ3 LYS A 46 8.585 -8.416 12.783 1.00 22.02 H new ATOM 758 N ALA A 47 3.377 -11.458 6.750 1.00 70.31 N ATOM 759 CA ALA A 47 2.013 -11.461 6.194 1.00 50.44 C ATOM 760 C ALA A 47 1.786 -12.678 5.263 1.00 40.00 C ATOM 761 O ALA A 47 0.857 -13.444 5.496 1.00 12.40 O ATOM 762 CB ALA A 47 1.725 -10.136 5.471 1.00 13.21 C ATOM 0 H ALA A 47 3.966 -10.706 6.393 1.00 70.31 H new ATOM 0 HA ALA A 47 1.308 -11.555 7.020 1.00 50.44 H new ATOM 0 HB1 ALA A 47 0.713 -10.155 5.066 1.00 13.21 H new ATOM 0 HB2 ALA A 47 1.819 -9.309 6.175 1.00 13.21 H new ATOM 0 HB3 ALA A 47 2.439 -10.003 4.658 1.00 13.21 H new ATOM 768 N ARG A 48 2.674 -12.873 4.251 1.00 33.45 N ATOM 769 CA ARG A 48 2.515 -13.954 3.236 1.00 4.15 C ATOM 770 C ARG A 48 2.724 -15.360 3.833 1.00 61.21 C ATOM 771 O ARG A 48 2.154 -16.333 3.336 1.00 64.14 O ATOM 772 CB ARG A 48 3.393 -13.706 1.948 1.00 3.24 C ATOM 773 CG ARG A 48 4.932 -13.468 2.105 1.00 31.23 C ATOM 774 CD ARG A 48 5.744 -14.692 2.578 1.00 52.33 C ATOM 775 NE ARG A 48 7.205 -14.494 2.459 1.00 23.54 N ATOM 776 CZ ARG A 48 8.137 -15.034 3.274 1.00 50.43 C ATOM 777 NH1 ARG A 48 7.788 -15.819 4.294 1.00 25.15 N ATOM 778 NH2 ARG A 48 9.422 -14.775 3.065 1.00 61.33 N ATOM 0 H ARG A 48 3.506 -12.298 4.115 1.00 33.45 H new ATOM 0 HA ARG A 48 1.476 -13.915 2.908 1.00 4.15 H new ATOM 0 HB2 ARG A 48 3.260 -14.565 1.290 1.00 3.24 H new ATOM 0 HB3 ARG A 48 2.979 -12.841 1.431 1.00 3.24 H new ATOM 0 HG2 ARG A 48 5.331 -13.136 1.147 1.00 31.23 H new ATOM 0 HG3 ARG A 48 5.087 -12.654 2.814 1.00 31.23 H new ATOM 0 HD2 ARG A 48 5.495 -14.907 3.617 1.00 52.33 H new ATOM 0 HD3 ARG A 48 5.452 -15.564 1.993 1.00 52.33 H new ATOM 0 HE ARG A 48 7.536 -13.900 1.698 1.00 23.54 H new ATOM 0 HH11 ARG A 48 6.803 -16.020 4.469 1.00 25.15 H new ATOM 0 HH12 ARG A 48 8.506 -16.218 4.899 1.00 25.15 H new ATOM 0 HH21 ARG A 48 9.701 -14.171 2.292 1.00 61.33 H new ATOM 0 HH22 ARG A 48 10.130 -15.180 3.677 1.00 61.33 H new ATOM 792 N LYS A 49 3.545 -15.451 4.899 1.00 4.53 N ATOM 793 CA LYS A 49 3.752 -16.705 5.663 1.00 52.22 C ATOM 794 C LYS A 49 2.428 -17.082 6.366 1.00 50.32 C ATOM 795 O LYS A 49 2.047 -18.256 6.428 1.00 51.22 O ATOM 796 CB LYS A 49 4.936 -16.513 6.684 1.00 72.51 C ATOM 797 CG LYS A 49 5.542 -17.789 7.356 1.00 42.32 C ATOM 798 CD LYS A 49 4.645 -18.458 8.431 1.00 54.22 C ATOM 799 CE LYS A 49 4.243 -17.504 9.569 1.00 71.23 C ATOM 800 NZ LYS A 49 3.373 -18.174 10.570 1.00 33.10 N ATOM 0 H LYS A 49 4.083 -14.662 5.256 1.00 4.53 H new ATOM 0 HA LYS A 49 4.028 -17.523 4.998 1.00 52.22 H new ATOM 0 HB2 LYS A 49 5.742 -15.994 6.166 1.00 72.51 H new ATOM 0 HB3 LYS A 49 4.589 -15.851 7.477 1.00 72.51 H new ATOM 0 HG2 LYS A 49 5.758 -18.522 6.579 1.00 42.32 H new ATOM 0 HG3 LYS A 49 6.494 -17.521 7.815 1.00 42.32 H new ATOM 0 HD2 LYS A 49 3.744 -18.843 7.954 1.00 54.22 H new ATOM 0 HD3 LYS A 49 5.172 -19.314 8.853 1.00 54.22 H new ATOM 0 HE2 LYS A 49 5.140 -17.127 10.061 1.00 71.23 H new ATOM 0 HE3 LYS A 49 3.721 -16.642 9.153 1.00 71.23 H new ATOM 0 HZ1 LYS A 49 2.412 -17.779 10.515 1.00 33.10 H new ATOM 0 HZ2 LYS A 49 3.340 -19.195 10.373 1.00 33.10 H new ATOM 0 HZ3 LYS A 49 3.757 -18.018 11.524 1.00 33.10 H new ATOM 814 N GLN A 50 1.729 -16.053 6.877 1.00 50.41 N ATOM 815 CA GLN A 50 0.469 -16.211 7.633 1.00 23.02 C ATOM 816 C GLN A 50 -0.779 -15.975 6.725 1.00 3.42 C ATOM 817 O GLN A 50 -1.909 -15.893 7.220 1.00 23.34 O ATOM 818 CB GLN A 50 0.512 -15.240 8.855 1.00 4.21 C ATOM 819 CG GLN A 50 -0.546 -15.502 9.951 1.00 34.14 C ATOM 820 CD GLN A 50 -0.381 -16.855 10.667 1.00 51.32 C ATOM 821 OE1 GLN A 50 0.733 -17.355 10.843 1.00 51.40 O ATOM 822 NE2 GLN A 50 -1.481 -17.459 11.086 1.00 20.55 N ATOM 0 H GLN A 50 2.023 -15.081 6.778 1.00 50.41 H new ATOM 0 HA GLN A 50 0.375 -17.235 7.994 1.00 23.02 H new ATOM 0 HB2 GLN A 50 1.501 -15.298 9.308 1.00 4.21 H new ATOM 0 HB3 GLN A 50 0.388 -14.220 8.491 1.00 4.21 H new ATOM 0 HG2 GLN A 50 -0.495 -14.702 10.690 1.00 34.14 H new ATOM 0 HG3 GLN A 50 -1.538 -15.458 9.502 1.00 34.14 H new ATOM 0 HE21 GLN A 50 -2.391 -17.027 10.929 1.00 20.55 H new ATOM 0 HE22 GLN A 50 -1.419 -18.357 11.566 1.00 20.55 H new ATOM 831 N GLY A 51 -0.556 -15.890 5.391 1.00 43.22 N ATOM 832 CA GLY A 51 -1.643 -15.774 4.395 1.00 54.25 C ATOM 833 C GLY A 51 -2.485 -14.506 4.541 1.00 53.44 C ATOM 834 O GLY A 51 -3.719 -14.572 4.612 1.00 34.24 O ATOM 0 H GLY A 51 0.377 -15.900 4.980 1.00 43.22 H new ATOM 0 HA2 GLY A 51 -1.210 -15.798 3.395 1.00 54.25 H new ATOM 0 HA3 GLY A 51 -2.295 -16.643 4.481 1.00 54.25 H new ATOM 838 N ARG A 52 -1.813 -13.345 4.582 1.00 63.03 N ATOM 839 CA ARG A 52 -2.455 -12.038 4.844 1.00 75.01 C ATOM 840 C ARG A 52 -2.000 -10.990 3.807 1.00 53.54 C ATOM 841 O ARG A 52 -0.875 -11.075 3.294 1.00 54.42 O ATOM 842 CB ARG A 52 -2.082 -11.521 6.267 1.00 12.22 C ATOM 843 CG ARG A 52 -2.539 -12.427 7.422 1.00 21.12 C ATOM 844 CD ARG A 52 -2.023 -11.939 8.784 1.00 4.11 C ATOM 845 NE ARG A 52 -0.556 -11.987 8.881 1.00 12.31 N ATOM 846 CZ ARG A 52 0.154 -11.748 9.999 1.00 32.32 C ATOM 847 NH1 ARG A 52 -0.448 -11.438 11.149 1.00 75.10 N ATOM 848 NH2 ARG A 52 1.471 -11.870 9.966 1.00 43.43 N ATOM 0 H ARG A 52 -0.806 -13.281 4.434 1.00 63.03 H new ATOM 0 HA ARG A 52 -3.533 -12.180 4.773 1.00 75.01 H new ATOM 0 HB2 ARG A 52 -1.000 -11.402 6.323 1.00 12.22 H new ATOM 0 HB3 ARG A 52 -2.519 -10.532 6.405 1.00 12.22 H new ATOM 0 HG2 ARG A 52 -3.628 -12.466 7.441 1.00 21.12 H new ATOM 0 HG3 ARG A 52 -2.187 -13.443 7.245 1.00 21.12 H new ATOM 0 HD2 ARG A 52 -2.362 -10.917 8.952 1.00 4.11 H new ATOM 0 HD3 ARG A 52 -2.456 -12.552 9.574 1.00 4.11 H new ATOM 0 HE ARG A 52 -0.036 -12.220 8.035 1.00 12.31 H new ATOM 0 HH11 ARG A 52 -1.465 -11.378 11.192 1.00 75.10 H new ATOM 0 HH12 ARG A 52 0.109 -11.261 11.985 1.00 75.10 H new ATOM 0 HH21 ARG A 52 1.936 -12.142 9.100 1.00 43.43 H new ATOM 0 HH22 ARG A 52 2.021 -11.692 10.806 1.00 43.43 H new ATOM 862 N PRO A 53 -2.879 -9.991 3.474 1.00 31.13 N ATOM 863 CA PRO A 53 -2.440 -8.747 2.821 1.00 42.44 C ATOM 864 C PRO A 53 -1.687 -7.841 3.826 1.00 45.31 C ATOM 865 O PRO A 53 -1.928 -7.900 5.040 1.00 55.01 O ATOM 866 CB PRO A 53 -3.764 -8.103 2.321 1.00 32.31 C ATOM 867 CG PRO A 53 -4.839 -8.656 3.213 1.00 13.44 C ATOM 868 CD PRO A 53 -4.356 -10.025 3.672 1.00 31.42 C ATOM 0 HA PRO A 53 -1.737 -8.910 2.004 1.00 42.44 H new ATOM 0 HB2 PRO A 53 -3.721 -7.016 2.386 1.00 32.31 H new ATOM 0 HB3 PRO A 53 -3.953 -8.353 1.277 1.00 32.31 H new ATOM 0 HG2 PRO A 53 -5.012 -7.999 4.066 1.00 13.44 H new ATOM 0 HG3 PRO A 53 -5.784 -8.738 2.677 1.00 13.44 H new ATOM 0 HD2 PRO A 53 -4.612 -10.205 4.716 1.00 31.42 H new ATOM 0 HD3 PRO A 53 -4.815 -10.823 3.089 1.00 31.42 H new ATOM 876 N ILE A 54 -0.759 -7.034 3.314 1.00 73.13 N ATOM 877 CA ILE A 54 0.029 -6.081 4.117 1.00 42.42 C ATOM 878 C ILE A 54 -0.274 -4.651 3.632 1.00 42.43 C ATOM 879 O ILE A 54 -0.130 -4.353 2.441 1.00 0.41 O ATOM 880 CB ILE A 54 1.577 -6.401 4.041 1.00 32.44 C ATOM 881 CG1 ILE A 54 2.414 -5.255 4.700 1.00 31.10 C ATOM 882 CG2 ILE A 54 2.039 -6.705 2.592 1.00 61.32 C ATOM 883 CD1 ILE A 54 3.914 -5.375 4.542 1.00 62.13 C ATOM 0 H ILE A 54 -0.526 -7.018 2.321 1.00 73.13 H new ATOM 0 HA ILE A 54 -0.256 -6.173 5.165 1.00 42.42 H new ATOM 0 HB ILE A 54 1.756 -7.311 4.614 1.00 32.44 H new ATOM 0 HG12 ILE A 54 2.096 -4.304 4.273 1.00 31.10 H new ATOM 0 HG13 ILE A 54 2.179 -5.222 5.764 1.00 31.10 H new ATOM 0 HG21 ILE A 54 3.108 -6.919 2.588 1.00 61.32 H new ATOM 0 HG22 ILE A 54 1.495 -7.569 2.210 1.00 61.32 H new ATOM 0 HG23 ILE A 54 1.840 -5.841 1.958 1.00 61.32 H new ATOM 0 HD11 ILE A 54 4.400 -4.532 5.034 1.00 62.13 H new ATOM 0 HD12 ILE A 54 4.254 -6.306 4.996 1.00 62.13 H new ATOM 0 HD13 ILE A 54 4.170 -5.373 3.482 1.00 62.13 H new ATOM 895 N VAL A 55 -0.725 -3.780 4.559 1.00 13.50 N ATOM 896 CA VAL A 55 -1.141 -2.404 4.232 1.00 23.33 C ATOM 897 C VAL A 55 -0.099 -1.385 4.752 1.00 62.05 C ATOM 898 O VAL A 55 0.031 -1.186 5.961 1.00 72.13 O ATOM 899 CB VAL A 55 -2.582 -2.070 4.806 1.00 41.54 C ATOM 900 CG1 VAL A 55 -3.183 -0.844 4.075 1.00 1.44 C ATOM 901 CG2 VAL A 55 -3.528 -3.301 4.715 1.00 1.21 C ATOM 0 H VAL A 55 -0.810 -4.011 5.549 1.00 13.50 H new ATOM 0 HA VAL A 55 -1.197 -2.328 3.146 1.00 23.33 H new ATOM 0 HB VAL A 55 -2.478 -1.821 5.862 1.00 41.54 H new ATOM 0 HG11 VAL A 55 -4.172 -0.627 4.480 1.00 1.44 H new ATOM 0 HG12 VAL A 55 -2.534 0.020 4.220 1.00 1.44 H new ATOM 0 HG13 VAL A 55 -3.267 -1.060 3.010 1.00 1.44 H new ATOM 0 HG21 VAL A 55 -4.507 -3.038 5.116 1.00 1.21 H new ATOM 0 HG22 VAL A 55 -3.632 -3.603 3.673 1.00 1.21 H new ATOM 0 HG23 VAL A 55 -3.109 -4.125 5.292 1.00 1.21 H new ATOM 911 N ILE A 56 0.650 -0.753 3.825 1.00 5.44 N ATOM 912 CA ILE A 56 1.742 0.194 4.156 1.00 50.34 C ATOM 913 C ILE A 56 1.296 1.641 3.903 1.00 0.44 C ATOM 914 O ILE A 56 1.063 2.034 2.765 1.00 20.10 O ATOM 915 CB ILE A 56 3.040 -0.126 3.315 1.00 44.02 C ATOM 916 CG1 ILE A 56 3.547 -1.557 3.639 1.00 41.23 C ATOM 917 CG2 ILE A 56 4.166 0.925 3.538 1.00 11.24 C ATOM 918 CD1 ILE A 56 3.969 -1.773 5.087 1.00 11.12 C ATOM 0 H ILE A 56 0.516 -0.883 2.822 1.00 5.44 H new ATOM 0 HA ILE A 56 1.978 0.078 5.214 1.00 50.34 H new ATOM 0 HB ILE A 56 2.768 -0.074 2.261 1.00 44.02 H new ATOM 0 HG12 ILE A 56 2.760 -2.270 3.395 1.00 41.23 H new ATOM 0 HG13 ILE A 56 4.394 -1.783 2.991 1.00 41.23 H new ATOM 0 HG21 ILE A 56 5.036 0.659 2.938 1.00 11.24 H new ATOM 0 HG22 ILE A 56 3.808 1.911 3.241 1.00 11.24 H new ATOM 0 HG23 ILE A 56 4.444 0.942 4.592 1.00 11.24 H new ATOM 0 HD11 ILE A 56 4.308 -2.801 5.218 1.00 11.12 H new ATOM 0 HD12 ILE A 56 4.780 -1.089 5.335 1.00 11.12 H new ATOM 0 HD13 ILE A 56 3.121 -1.584 5.745 1.00 11.12 H new ATOM 930 N PHE A 57 1.192 2.427 4.978 1.00 13.32 N ATOM 931 CA PHE A 57 0.785 3.836 4.915 1.00 54.44 C ATOM 932 C PHE A 57 2.035 4.730 4.856 1.00 13.01 C ATOM 933 O PHE A 57 2.868 4.689 5.751 1.00 34.11 O ATOM 934 CB PHE A 57 -0.075 4.197 6.152 1.00 52.52 C ATOM 935 CG PHE A 57 -1.391 3.451 6.248 1.00 55.23 C ATOM 936 CD1 PHE A 57 -1.446 2.138 6.724 1.00 33.14 C ATOM 937 CD2 PHE A 57 -2.577 4.058 5.855 1.00 63.05 C ATOM 938 CE1 PHE A 57 -2.649 1.470 6.794 1.00 64.33 C ATOM 939 CE2 PHE A 57 -3.764 3.384 5.922 1.00 42.01 C ATOM 940 CZ PHE A 57 -3.803 2.100 6.386 1.00 32.11 C ATOM 0 H PHE A 57 1.389 2.102 5.925 1.00 13.32 H new ATOM 0 HA PHE A 57 0.187 3.999 4.018 1.00 54.44 H new ATOM 0 HB2 PHE A 57 0.506 3.998 7.052 1.00 52.52 H new ATOM 0 HB3 PHE A 57 -0.280 5.267 6.135 1.00 52.52 H new ATOM 0 HD1 PHE A 57 -0.539 1.644 7.039 1.00 33.14 H new ATOM 0 HD2 PHE A 57 -2.561 5.075 5.492 1.00 63.05 H new ATOM 0 HE1 PHE A 57 -2.686 0.457 7.167 1.00 64.33 H new ATOM 0 HE2 PHE A 57 -4.676 3.869 5.606 1.00 42.01 H new ATOM 0 HZ PHE A 57 -4.746 1.575 6.433 1.00 32.11 H new ATOM 950 N ILE A 58 2.179 5.511 3.785 1.00 70.25 N ATOM 951 CA ILE A 58 3.287 6.473 3.621 1.00 43.34 C ATOM 952 C ILE A 58 2.795 7.714 2.864 1.00 14.41 C ATOM 953 O ILE A 58 1.770 7.679 2.187 1.00 42.25 O ATOM 954 CB ILE A 58 4.546 5.843 2.890 1.00 52.30 C ATOM 955 CG1 ILE A 58 4.125 4.996 1.655 1.00 53.33 C ATOM 956 CG2 ILE A 58 5.429 5.020 3.867 1.00 74.14 C ATOM 957 CD1 ILE A 58 5.277 4.292 0.956 1.00 40.24 C ATOM 0 H ILE A 58 1.530 5.499 2.998 1.00 70.25 H new ATOM 0 HA ILE A 58 3.616 6.758 4.620 1.00 43.34 H new ATOM 0 HB ILE A 58 5.153 6.673 2.527 1.00 52.30 H new ATOM 0 HG12 ILE A 58 3.397 4.249 1.973 1.00 53.33 H new ATOM 0 HG13 ILE A 58 3.623 5.645 0.938 1.00 53.33 H new ATOM 0 HG21 ILE A 58 6.280 4.606 3.327 1.00 74.14 H new ATOM 0 HG22 ILE A 58 5.787 5.668 4.667 1.00 74.14 H new ATOM 0 HG23 ILE A 58 4.840 4.208 4.294 1.00 74.14 H new ATOM 0 HD11 ILE A 58 4.895 3.725 0.107 1.00 40.24 H new ATOM 0 HD12 ILE A 58 5.996 5.032 0.604 1.00 40.24 H new ATOM 0 HD13 ILE A 58 5.767 3.614 1.655 1.00 40.24 H new ATOM 969 N ARG A 59 3.519 8.824 3.027 1.00 25.41 N ATOM 970 CA ARG A 59 3.195 10.105 2.374 1.00 14.23 C ATOM 971 C ARG A 59 3.900 10.155 0.993 1.00 42.14 C ATOM 972 O ARG A 59 4.726 9.282 0.702 1.00 11.44 O ATOM 973 CB ARG A 59 3.619 11.278 3.317 1.00 54.21 C ATOM 974 CG ARG A 59 2.765 12.560 3.195 1.00 62.33 C ATOM 975 CD ARG A 59 3.172 13.640 4.219 1.00 4.20 C ATOM 976 NE ARG A 59 2.338 14.849 4.120 1.00 62.31 N ATOM 977 CZ ARG A 59 2.085 15.703 5.126 1.00 71.33 C ATOM 978 NH1 ARG A 59 2.598 15.501 6.346 1.00 3.41 N ATOM 979 NH2 ARG A 59 1.312 16.762 4.903 1.00 55.20 N ATOM 0 H ARG A 59 4.350 8.865 3.617 1.00 25.41 H new ATOM 0 HA ARG A 59 2.124 10.203 2.197 1.00 14.23 H new ATOM 0 HB2 ARG A 59 3.575 10.928 4.348 1.00 54.21 H new ATOM 0 HB3 ARG A 59 4.659 11.532 3.110 1.00 54.21 H new ATOM 0 HG2 ARG A 59 2.863 12.964 2.187 1.00 62.33 H new ATOM 0 HG3 ARG A 59 1.714 12.308 3.336 1.00 62.33 H new ATOM 0 HD2 ARG A 59 3.095 13.230 5.226 1.00 4.20 H new ATOM 0 HD3 ARG A 59 4.217 13.909 4.064 1.00 4.20 H new ATOM 0 HE ARG A 59 1.918 15.055 3.214 1.00 62.31 H new ATOM 0 HH11 ARG A 59 3.190 14.690 6.522 1.00 3.41 H new ATOM 0 HH12 ARG A 59 2.397 16.159 7.099 1.00 3.41 H new ATOM 0 HH21 ARG A 59 0.918 16.919 3.976 1.00 55.20 H new ATOM 0 HH22 ARG A 59 1.113 17.417 5.659 1.00 55.20 H new ATOM 993 N GLY A 60 3.569 11.163 0.163 1.00 54.03 N ATOM 994 CA GLY A 60 4.030 11.230 -1.240 1.00 3.12 C ATOM 995 C GLY A 60 5.549 11.228 -1.434 1.00 14.01 C ATOM 996 O GLY A 60 6.040 10.729 -2.454 1.00 61.44 O ATOM 0 H GLY A 60 2.980 11.948 0.441 1.00 54.03 H new ATOM 0 HA2 GLY A 60 3.610 10.383 -1.783 1.00 3.12 H new ATOM 0 HA3 GLY A 60 3.624 12.133 -1.695 1.00 3.12 H new ATOM 1000 N ALA A 61 6.288 11.796 -0.466 1.00 4.40 N ATOM 1001 CA ALA A 61 7.766 11.784 -0.469 1.00 31.12 C ATOM 1002 C ALA A 61 8.287 10.357 -0.211 1.00 25.41 C ATOM 1003 O ALA A 61 9.140 9.844 -0.938 1.00 3.03 O ATOM 1004 CB ALA A 61 8.312 12.757 0.591 1.00 55.02 C ATOM 0 H ALA A 61 5.883 12.275 0.338 1.00 4.40 H new ATOM 0 HA ALA A 61 8.116 12.110 -1.448 1.00 31.12 H new ATOM 0 HB1 ALA A 61 9.402 12.737 0.576 1.00 55.02 H new ATOM 0 HB2 ALA A 61 7.965 13.767 0.371 1.00 55.02 H new ATOM 0 HB3 ALA A 61 7.957 12.458 1.577 1.00 55.02 H new ATOM 1010 N TYR A 62 7.718 9.735 0.831 1.00 5.44 N ATOM 1011 CA TYR A 62 8.058 8.371 1.284 1.00 23.33 C ATOM 1012 C TYR A 62 7.692 7.303 0.229 1.00 72.41 C ATOM 1013 O TYR A 62 8.236 6.211 0.244 1.00 5.23 O ATOM 1014 CB TYR A 62 7.362 8.069 2.629 1.00 25.34 C ATOM 1015 CG TYR A 62 7.708 9.045 3.763 1.00 32.34 C ATOM 1016 CD1 TYR A 62 9.036 9.264 4.135 1.00 44.30 C ATOM 1017 CD2 TYR A 62 6.716 9.741 4.459 1.00 5.41 C ATOM 1018 CE1 TYR A 62 9.358 10.129 5.160 1.00 72.22 C ATOM 1019 CE2 TYR A 62 7.037 10.611 5.486 1.00 70.41 C ATOM 1020 CZ TYR A 62 8.360 10.801 5.830 1.00 24.51 C ATOM 1021 OH TYR A 62 8.684 11.662 6.857 1.00 33.22 O ATOM 0 H TYR A 62 6.992 10.173 1.398 1.00 5.44 H new ATOM 0 HA TYR A 62 9.138 8.328 1.423 1.00 23.33 H new ATOM 0 HB2 TYR A 62 6.283 8.080 2.475 1.00 25.34 H new ATOM 0 HB3 TYR A 62 7.629 7.060 2.942 1.00 25.34 H new ATOM 0 HD1 TYR A 62 9.826 8.747 3.610 1.00 44.30 H new ATOM 0 HD2 TYR A 62 5.680 9.597 4.190 1.00 5.41 H new ATOM 0 HE1 TYR A 62 10.391 10.279 5.437 1.00 72.22 H new ATOM 0 HE2 TYR A 62 6.257 11.138 6.015 1.00 70.41 H new ATOM 0 HH TYR A 62 7.865 12.056 7.224 1.00 33.22 H new ATOM 1031 N GLU A 63 6.694 7.614 -0.617 1.00 70.33 N ATOM 1032 CA GLU A 63 6.227 6.745 -1.720 1.00 34.23 C ATOM 1033 C GLU A 63 7.370 6.290 -2.668 1.00 0.12 C ATOM 1034 O GLU A 63 7.264 5.240 -3.308 1.00 32.11 O ATOM 1035 CB GLU A 63 5.131 7.471 -2.518 1.00 12.04 C ATOM 1036 CG GLU A 63 4.523 6.638 -3.673 1.00 54.44 C ATOM 1037 CD GLU A 63 3.598 7.440 -4.590 1.00 51.04 C ATOM 1038 OE1 GLU A 63 4.034 8.494 -5.117 1.00 31.30 O ATOM 1039 OE2 GLU A 63 2.437 7.040 -4.790 1.00 2.20 O ATOM 0 H GLU A 63 6.178 8.492 -0.555 1.00 70.33 H new ATOM 0 HA GLU A 63 5.826 5.839 -1.266 1.00 34.23 H new ATOM 0 HB2 GLU A 63 4.332 7.760 -1.835 1.00 12.04 H new ATOM 0 HB3 GLU A 63 5.547 8.391 -2.929 1.00 12.04 H new ATOM 0 HG2 GLU A 63 5.332 6.214 -4.268 1.00 54.44 H new ATOM 0 HG3 GLU A 63 3.966 5.801 -3.251 1.00 54.44 H new ATOM 1046 N GLU A 64 8.450 7.094 -2.768 1.00 32.24 N ATOM 1047 CA GLU A 64 9.645 6.746 -3.570 1.00 3.22 C ATOM 1048 C GLU A 64 10.238 5.363 -3.160 1.00 1.44 C ATOM 1049 O GLU A 64 10.795 4.626 -3.984 1.00 74.25 O ATOM 1050 CB GLU A 64 10.716 7.855 -3.410 1.00 42.11 C ATOM 1051 CG GLU A 64 11.968 7.651 -4.281 1.00 20.42 C ATOM 1052 CD GLU A 64 11.653 7.680 -5.793 1.00 73.11 C ATOM 1053 OE1 GLU A 64 11.649 8.775 -6.394 1.00 20.35 O ATOM 1054 OE2 GLU A 64 11.395 6.609 -6.387 1.00 43.30 O ATOM 0 H GLU A 64 8.519 7.997 -2.299 1.00 32.24 H new ATOM 0 HA GLU A 64 9.341 6.673 -4.614 1.00 3.22 H new ATOM 0 HB2 GLU A 64 10.267 8.817 -3.658 1.00 42.11 H new ATOM 0 HB3 GLU A 64 11.019 7.905 -2.364 1.00 42.11 H new ATOM 0 HG2 GLU A 64 12.696 8.428 -4.051 1.00 20.42 H new ATOM 0 HG3 GLU A 64 12.430 6.697 -4.028 1.00 20.42 H new ATOM 1061 N VAL A 65 10.079 5.039 -1.872 1.00 1.33 N ATOM 1062 CA VAL A 65 10.515 3.776 -1.256 1.00 43.12 C ATOM 1063 C VAL A 65 9.795 2.541 -1.869 1.00 34.41 C ATOM 1064 O VAL A 65 10.414 1.472 -1.989 1.00 14.40 O ATOM 1065 CB VAL A 65 10.269 3.865 0.296 1.00 63.22 C ATOM 1066 CG1 VAL A 65 10.491 2.543 1.023 1.00 21.43 C ATOM 1067 CG2 VAL A 65 11.133 4.986 0.918 1.00 54.51 C ATOM 0 H VAL A 65 9.629 5.667 -1.206 1.00 1.33 H new ATOM 0 HA VAL A 65 11.577 3.636 -1.457 1.00 43.12 H new ATOM 0 HB VAL A 65 9.215 4.108 0.427 1.00 63.22 H new ATOM 0 HG11 VAL A 65 10.304 2.678 2.088 1.00 21.43 H new ATOM 0 HG12 VAL A 65 9.809 1.791 0.627 1.00 21.43 H new ATOM 0 HG13 VAL A 65 11.519 2.214 0.874 1.00 21.43 H new ATOM 0 HG21 VAL A 65 10.950 5.033 1.991 1.00 54.51 H new ATOM 0 HG22 VAL A 65 12.187 4.775 0.738 1.00 54.51 H new ATOM 0 HG23 VAL A 65 10.872 5.941 0.463 1.00 54.51 H new ATOM 1077 N VAL A 66 8.504 2.713 -2.277 1.00 2.11 N ATOM 1078 CA VAL A 66 7.679 1.621 -2.875 1.00 22.15 C ATOM 1079 C VAL A 66 8.397 0.969 -4.065 1.00 31.42 C ATOM 1080 O VAL A 66 8.358 -0.245 -4.212 1.00 54.31 O ATOM 1081 CB VAL A 66 6.266 2.114 -3.374 1.00 63.32 C ATOM 1082 CG1 VAL A 66 5.420 0.950 -3.957 1.00 21.01 C ATOM 1083 CG2 VAL A 66 5.500 2.825 -2.254 1.00 12.41 C ATOM 0 H VAL A 66 8.011 3.603 -2.202 1.00 2.11 H new ATOM 0 HA VAL A 66 7.534 0.900 -2.070 1.00 22.15 H new ATOM 0 HB VAL A 66 6.444 2.829 -4.177 1.00 63.32 H new ATOM 0 HG11 VAL A 66 4.455 1.332 -4.289 1.00 21.01 H new ATOM 0 HG12 VAL A 66 5.945 0.507 -4.803 1.00 21.01 H new ATOM 0 HG13 VAL A 66 5.265 0.192 -3.189 1.00 21.01 H new ATOM 0 HG21 VAL A 66 4.530 3.153 -2.628 1.00 12.41 H new ATOM 0 HG22 VAL A 66 5.354 2.138 -1.420 1.00 12.41 H new ATOM 0 HG23 VAL A 66 6.070 3.690 -1.916 1.00 12.41 H new ATOM 1093 N ARG A 67 9.083 1.806 -4.858 1.00 72.42 N ATOM 1094 CA ARG A 67 9.792 1.395 -6.091 1.00 63.42 C ATOM 1095 C ARG A 67 10.772 0.222 -5.810 1.00 60.24 C ATOM 1096 O ARG A 67 10.866 -0.735 -6.591 1.00 5.21 O ATOM 1097 CB ARG A 67 10.563 2.630 -6.635 1.00 0.11 C ATOM 1098 CG ARG A 67 11.266 2.439 -8.007 1.00 12.31 C ATOM 1099 CD ARG A 67 12.414 3.448 -8.225 1.00 44.05 C ATOM 1100 NE ARG A 67 13.565 3.158 -7.332 1.00 64.14 N ATOM 1101 CZ ARG A 67 14.188 4.042 -6.527 1.00 24.03 C ATOM 1102 NH1 ARG A 67 13.807 5.309 -6.461 1.00 31.30 N ATOM 1103 NH2 ARG A 67 15.193 3.639 -5.773 1.00 30.04 N ATOM 0 H ARG A 67 9.165 2.804 -4.662 1.00 72.42 H new ATOM 0 HA ARG A 67 9.072 1.042 -6.829 1.00 63.42 H new ATOM 0 HB2 ARG A 67 9.864 3.462 -6.719 1.00 0.11 H new ATOM 0 HB3 ARG A 67 11.315 2.918 -5.900 1.00 0.11 H new ATOM 0 HG2 ARG A 67 11.660 1.425 -8.072 1.00 12.31 H new ATOM 0 HG3 ARG A 67 10.533 2.548 -8.806 1.00 12.31 H new ATOM 0 HD2 ARG A 67 12.740 3.412 -9.265 1.00 44.05 H new ATOM 0 HD3 ARG A 67 12.052 4.459 -8.039 1.00 44.05 H new ATOM 0 HE ARG A 67 13.917 2.201 -7.327 1.00 64.14 H new ATOM 0 HH11 ARG A 67 13.025 5.637 -7.028 1.00 31.30 H new ATOM 0 HH12 ARG A 67 14.296 5.957 -5.843 1.00 31.30 H new ATOM 0 HH21 ARG A 67 15.493 2.665 -5.802 1.00 30.04 H new ATOM 0 HH22 ARG A 67 15.669 4.302 -5.161 1.00 30.04 H new ATOM 1117 N ASP A 68 11.478 0.328 -4.672 1.00 31.11 N ATOM 1118 CA ASP A 68 12.452 -0.678 -4.199 1.00 72.25 C ATOM 1119 C ASP A 68 11.743 -1.918 -3.575 1.00 61.22 C ATOM 1120 O ASP A 68 12.189 -3.063 -3.751 1.00 15.12 O ATOM 1121 CB ASP A 68 13.401 0.005 -3.180 1.00 64.52 C ATOM 1122 CG ASP A 68 14.561 -0.896 -2.727 1.00 32.44 C ATOM 1123 OD1 ASP A 68 15.615 -0.915 -3.395 1.00 25.10 O ATOM 1124 OD2 ASP A 68 14.435 -1.583 -1.698 1.00 50.24 O ATOM 0 H ASP A 68 11.389 1.126 -4.043 1.00 31.11 H new ATOM 0 HA ASP A 68 13.028 -1.052 -5.045 1.00 72.25 H new ATOM 0 HB2 ASP A 68 13.808 0.912 -3.626 1.00 64.52 H new ATOM 0 HB3 ASP A 68 12.825 0.310 -2.306 1.00 64.52 H new ATOM 1129 N ILE A 69 10.627 -1.657 -2.848 1.00 72.52 N ATOM 1130 CA ILE A 69 9.771 -2.699 -2.210 1.00 52.45 C ATOM 1131 C ILE A 69 9.151 -3.637 -3.278 1.00 15.22 C ATOM 1132 O ILE A 69 9.007 -4.846 -3.043 1.00 24.32 O ATOM 1133 CB ILE A 69 8.610 -2.029 -1.365 1.00 23.40 C ATOM 1134 CG1 ILE A 69 9.186 -1.087 -0.257 1.00 70.22 C ATOM 1135 CG2 ILE A 69 7.653 -3.086 -0.750 1.00 32.01 C ATOM 1136 CD1 ILE A 69 8.139 -0.230 0.441 1.00 55.02 C ATOM 0 H ILE A 69 10.290 -0.708 -2.685 1.00 72.52 H new ATOM 0 HA ILE A 69 10.406 -3.286 -1.547 1.00 52.45 H new ATOM 0 HB ILE A 69 8.024 -1.423 -2.056 1.00 23.40 H new ATOM 0 HG12 ILE A 69 9.699 -1.694 0.489 1.00 70.22 H new ATOM 0 HG13 ILE A 69 9.934 -0.433 -0.705 1.00 70.22 H new ATOM 0 HG21 ILE A 69 6.873 -2.582 -0.179 1.00 32.01 H new ATOM 0 HG22 ILE A 69 7.198 -3.673 -1.548 1.00 32.01 H new ATOM 0 HG23 ILE A 69 8.216 -3.746 -0.090 1.00 32.01 H new ATOM 0 HD11 ILE A 69 8.622 0.393 1.194 1.00 55.02 H new ATOM 0 HD12 ILE A 69 7.642 0.406 -0.292 1.00 55.02 H new ATOM 0 HD13 ILE A 69 7.403 -0.874 0.921 1.00 55.02 H new ATOM 1148 N VAL A 70 8.823 -3.047 -4.454 1.00 44.51 N ATOM 1149 CA VAL A 70 8.226 -3.738 -5.620 1.00 51.44 C ATOM 1150 C VAL A 70 9.050 -4.982 -6.006 1.00 14.44 C ATOM 1151 O VAL A 70 8.496 -6.070 -6.206 1.00 33.11 O ATOM 1152 CB VAL A 70 8.126 -2.743 -6.855 1.00 75.21 C ATOM 1153 CG1 VAL A 70 7.924 -3.478 -8.199 1.00 35.42 C ATOM 1154 CG2 VAL A 70 7.002 -1.698 -6.645 1.00 53.23 C ATOM 0 H VAL A 70 8.971 -2.052 -4.620 1.00 44.51 H new ATOM 0 HA VAL A 70 7.223 -4.065 -5.345 1.00 51.44 H new ATOM 0 HB VAL A 70 9.085 -2.227 -6.907 1.00 75.21 H new ATOM 0 HG11 VAL A 70 7.863 -2.749 -9.007 1.00 35.42 H new ATOM 0 HG12 VAL A 70 8.765 -4.147 -8.378 1.00 35.42 H new ATOM 0 HG13 VAL A 70 7.001 -4.057 -8.162 1.00 35.42 H new ATOM 0 HG21 VAL A 70 6.959 -1.032 -7.507 1.00 53.23 H new ATOM 0 HG22 VAL A 70 6.046 -2.209 -6.533 1.00 53.23 H new ATOM 0 HG23 VAL A 70 7.209 -1.116 -5.747 1.00 53.23 H new ATOM 1164 N GLU A 71 10.380 -4.788 -6.052 1.00 62.44 N ATOM 1165 CA GLU A 71 11.349 -5.821 -6.451 1.00 34.32 C ATOM 1166 C GLU A 71 11.274 -7.034 -5.510 1.00 42.32 C ATOM 1167 O GLU A 71 11.275 -8.180 -5.968 1.00 33.53 O ATOM 1168 CB GLU A 71 12.772 -5.220 -6.453 1.00 11.43 C ATOM 1169 CG GLU A 71 12.924 -3.979 -7.353 1.00 50.21 C ATOM 1170 CD GLU A 71 14.319 -3.351 -7.264 1.00 31.40 C ATOM 1171 OE1 GLU A 71 15.222 -3.758 -8.032 1.00 52.43 O ATOM 1172 OE2 GLU A 71 14.524 -2.457 -6.417 1.00 55.25 O ATOM 0 H GLU A 71 10.816 -3.898 -5.810 1.00 62.44 H new ATOM 0 HA GLU A 71 11.105 -6.165 -7.456 1.00 34.32 H new ATOM 0 HB2 GLU A 71 13.044 -4.952 -5.432 1.00 11.43 H new ATOM 0 HB3 GLU A 71 13.478 -5.983 -6.781 1.00 11.43 H new ATOM 0 HG2 GLU A 71 12.721 -4.258 -8.387 1.00 50.21 H new ATOM 0 HG3 GLU A 71 12.177 -3.237 -7.071 1.00 50.21 H new ATOM 1179 N TYR A 72 11.165 -6.751 -4.194 1.00 3.32 N ATOM 1180 CA TYR A 72 11.107 -7.790 -3.155 1.00 73.34 C ATOM 1181 C TYR A 72 9.779 -8.564 -3.212 1.00 10.34 C ATOM 1182 O TYR A 72 9.770 -9.792 -3.142 1.00 25.21 O ATOM 1183 CB TYR A 72 11.288 -7.193 -1.733 1.00 74.31 C ATOM 1184 CG TYR A 72 11.333 -8.285 -0.655 1.00 63.51 C ATOM 1185 CD1 TYR A 72 12.493 -9.031 -0.458 1.00 3.31 C ATOM 1186 CD2 TYR A 72 10.202 -8.621 0.105 1.00 11.32 C ATOM 1187 CE1 TYR A 72 12.527 -10.064 0.444 1.00 71.33 C ATOM 1188 CE2 TYR A 72 10.239 -9.649 1.019 1.00 72.11 C ATOM 1189 CZ TYR A 72 11.406 -10.371 1.179 1.00 71.22 C ATOM 1190 OH TYR A 72 11.455 -11.421 2.056 1.00 2.21 O ATOM 0 H TYR A 72 11.115 -5.800 -3.828 1.00 3.32 H new ATOM 0 HA TYR A 72 11.931 -8.475 -3.356 1.00 73.34 H new ATOM 0 HB2 TYR A 72 12.209 -6.611 -1.698 1.00 74.31 H new ATOM 0 HB3 TYR A 72 10.468 -6.507 -1.520 1.00 74.31 H new ATOM 0 HD1 TYR A 72 13.381 -8.792 -1.025 1.00 3.31 H new ATOM 0 HD2 TYR A 72 9.287 -8.063 -0.030 1.00 11.32 H new ATOM 0 HE1 TYR A 72 13.434 -10.636 0.577 1.00 71.33 H new ATOM 0 HE2 TYR A 72 9.364 -9.889 1.605 1.00 72.11 H new ATOM 0 HH TYR A 72 12.369 -11.522 2.394 1.00 2.21 H new ATOM 1200 N ALA A 73 8.672 -7.822 -3.305 1.00 60.42 N ATOM 1201 CA ALA A 73 7.320 -8.399 -3.299 1.00 25.42 C ATOM 1202 C ALA A 73 7.106 -9.323 -4.518 1.00 24.34 C ATOM 1203 O ALA A 73 6.401 -10.326 -4.425 1.00 32.31 O ATOM 1204 CB ALA A 73 6.282 -7.276 -3.240 1.00 31.25 C ATOM 0 H ALA A 73 8.685 -6.805 -3.387 1.00 60.42 H new ATOM 0 HA ALA A 73 7.199 -9.020 -2.411 1.00 25.42 H new ATOM 0 HB1 ALA A 73 5.280 -7.706 -3.236 1.00 31.25 H new ATOM 0 HB2 ALA A 73 6.430 -6.691 -2.332 1.00 31.25 H new ATOM 0 HB3 ALA A 73 6.395 -6.630 -4.110 1.00 31.25 H new ATOM 1210 N GLN A 74 7.763 -8.978 -5.646 1.00 43.14 N ATOM 1211 CA GLN A 74 7.778 -9.810 -6.868 1.00 42.51 C ATOM 1212 C GLN A 74 8.617 -11.090 -6.690 1.00 34.22 C ATOM 1213 O GLN A 74 8.341 -12.104 -7.341 1.00 74.32 O ATOM 1214 CB GLN A 74 8.301 -8.999 -8.080 1.00 31.20 C ATOM 1215 CG GLN A 74 7.315 -7.938 -8.605 1.00 52.52 C ATOM 1216 CD GLN A 74 7.815 -7.234 -9.862 1.00 22.12 C ATOM 1217 OE1 GLN A 74 8.555 -7.810 -10.666 1.00 43.11 O ATOM 1218 NE2 GLN A 74 7.406 -6.002 -10.060 1.00 4.34 N ATOM 0 H GLN A 74 8.298 -8.114 -5.735 1.00 43.14 H new ATOM 0 HA GLN A 74 6.748 -10.112 -7.057 1.00 42.51 H new ATOM 0 HB2 GLN A 74 9.231 -8.506 -7.798 1.00 31.20 H new ATOM 0 HB3 GLN A 74 8.539 -9.689 -8.889 1.00 31.20 H new ATOM 0 HG2 GLN A 74 6.357 -8.413 -8.817 1.00 52.52 H new ATOM 0 HG3 GLN A 74 7.138 -7.197 -7.826 1.00 52.52 H new ATOM 0 HE21 GLN A 74 6.795 -5.552 -9.379 1.00 4.34 H new ATOM 0 HE22 GLN A 74 7.699 -5.495 -10.895 1.00 4.34 H new ATOM 1227 N LYS A 75 9.658 -11.036 -5.831 1.00 1.33 N ATOM 1228 CA LYS A 75 10.453 -12.237 -5.469 1.00 30.32 C ATOM 1229 C LYS A 75 9.574 -13.254 -4.716 1.00 13.24 C ATOM 1230 O LYS A 75 9.712 -14.470 -4.898 1.00 14.11 O ATOM 1231 CB LYS A 75 11.699 -11.864 -4.605 1.00 62.31 C ATOM 1232 CG LYS A 75 12.775 -11.040 -5.342 1.00 63.12 C ATOM 1233 CD LYS A 75 13.356 -11.761 -6.583 1.00 2.11 C ATOM 1234 CE LYS A 75 13.969 -13.137 -6.251 1.00 50.22 C ATOM 1235 NZ LYS A 75 14.516 -13.809 -7.462 1.00 42.44 N ATOM 0 H LYS A 75 9.969 -10.178 -5.375 1.00 1.33 H new ATOM 0 HA LYS A 75 10.810 -12.687 -6.395 1.00 30.32 H new ATOM 0 HB2 LYS A 75 11.364 -11.301 -3.734 1.00 62.31 H new ATOM 0 HB3 LYS A 75 12.155 -12.782 -4.235 1.00 62.31 H new ATOM 0 HG2 LYS A 75 12.344 -10.088 -5.652 1.00 63.12 H new ATOM 0 HG3 LYS A 75 13.586 -10.813 -4.650 1.00 63.12 H new ATOM 0 HD2 LYS A 75 12.567 -11.891 -7.323 1.00 2.11 H new ATOM 0 HD3 LYS A 75 14.119 -11.130 -7.038 1.00 2.11 H new ATOM 0 HE2 LYS A 75 14.763 -13.012 -5.515 1.00 50.22 H new ATOM 0 HE3 LYS A 75 13.209 -13.772 -5.795 1.00 50.22 H new ATOM 0 HZ1 LYS A 75 14.919 -14.730 -7.196 1.00 42.44 H new ATOM 0 HZ2 LYS A 75 13.753 -13.951 -8.154 1.00 42.44 H new ATOM 0 HZ3 LYS A 75 15.259 -13.215 -7.883 1.00 42.44 H new ATOM 1249 N GLU A 76 8.656 -12.724 -3.891 1.00 53.51 N ATOM 1250 CA GLU A 76 7.697 -13.529 -3.110 1.00 34.05 C ATOM 1251 C GLU A 76 6.507 -13.979 -3.986 1.00 71.42 C ATOM 1252 O GLU A 76 5.684 -14.788 -3.548 1.00 54.11 O ATOM 1253 CB GLU A 76 7.202 -12.709 -1.885 1.00 72.50 C ATOM 1254 CG GLU A 76 8.314 -12.022 -1.067 1.00 21.31 C ATOM 1255 CD GLU A 76 9.431 -12.983 -0.616 1.00 44.33 C ATOM 1256 OE1 GLU A 76 9.271 -13.639 0.434 1.00 50.23 O ATOM 1257 OE2 GLU A 76 10.467 -13.094 -1.316 1.00 3.53 O ATOM 0 H GLU A 76 8.556 -11.719 -3.745 1.00 53.51 H new ATOM 0 HA GLU A 76 8.202 -14.428 -2.755 1.00 34.05 H new ATOM 0 HB2 GLU A 76 6.506 -11.947 -2.235 1.00 72.50 H new ATOM 0 HB3 GLU A 76 6.643 -13.372 -1.225 1.00 72.50 H new ATOM 0 HG2 GLU A 76 8.753 -11.223 -1.665 1.00 21.31 H new ATOM 0 HG3 GLU A 76 7.871 -11.555 -0.187 1.00 21.31 H new ATOM 1264 N GLY A 77 6.425 -13.440 -5.223 1.00 52.31 N ATOM 1265 CA GLY A 77 5.356 -13.776 -6.169 1.00 44.44 C ATOM 1266 C GLY A 77 4.055 -13.040 -5.883 1.00 2.52 C ATOM 1267 O GLY A 77 3.005 -13.394 -6.427 1.00 24.03 O ATOM 0 H GLY A 77 7.098 -12.764 -5.585 1.00 52.31 H new ATOM 0 HA2 GLY A 77 5.686 -13.539 -7.181 1.00 44.44 H new ATOM 0 HA3 GLY A 77 5.174 -14.850 -6.136 1.00 44.44 H new ATOM 1271 N LEU A 78 4.136 -12.017 -5.018 1.00 32.20 N ATOM 1272 CA LEU A 78 2.983 -11.224 -4.577 1.00 70.33 C ATOM 1273 C LEU A 78 2.680 -10.122 -5.601 1.00 63.23 C ATOM 1274 O LEU A 78 3.606 -9.566 -6.217 1.00 51.54 O ATOM 1275 CB LEU A 78 3.265 -10.582 -3.184 1.00 43.55 C ATOM 1276 CG LEU A 78 3.740 -11.552 -2.060 1.00 51.41 C ATOM 1277 CD1 LEU A 78 3.975 -10.810 -0.730 1.00 13.04 C ATOM 1278 CD2 LEU A 78 2.774 -12.733 -1.878 1.00 5.23 C ATOM 0 H LEU A 78 5.017 -11.715 -4.601 1.00 32.20 H new ATOM 0 HA LEU A 78 2.120 -11.885 -4.493 1.00 70.33 H new ATOM 0 HB2 LEU A 78 4.022 -9.808 -3.311 1.00 43.55 H new ATOM 0 HB3 LEU A 78 2.356 -10.085 -2.846 1.00 43.55 H new ATOM 0 HG LEU A 78 4.698 -11.963 -2.379 1.00 51.41 H new ATOM 0 HD11 LEU A 78 4.305 -11.519 0.029 1.00 13.04 H new ATOM 0 HD12 LEU A 78 4.740 -10.046 -0.870 1.00 13.04 H new ATOM 0 HD13 LEU A 78 3.047 -10.339 -0.407 1.00 13.04 H new ATOM 0 HD21 LEU A 78 3.142 -13.385 -1.086 1.00 5.23 H new ATOM 0 HD22 LEU A 78 1.786 -12.357 -1.610 1.00 5.23 H new ATOM 0 HD23 LEU A 78 2.708 -13.296 -2.809 1.00 5.23 H new ATOM 1290 N ARG A 79 1.386 -9.829 -5.781 1.00 31.43 N ATOM 1291 CA ARG A 79 0.927 -8.707 -6.608 1.00 4.32 C ATOM 1292 C ARG A 79 1.170 -7.412 -5.800 1.00 14.45 C ATOM 1293 O ARG A 79 0.811 -7.341 -4.621 1.00 34.22 O ATOM 1294 CB ARG A 79 -0.590 -8.886 -6.972 1.00 21.32 C ATOM 1295 CG ARG A 79 -1.043 -8.303 -8.344 1.00 10.34 C ATOM 1296 CD ARG A 79 -0.839 -6.779 -8.495 1.00 4.42 C ATOM 1297 NE ARG A 79 -1.282 -6.288 -9.816 1.00 65.10 N ATOM 1298 CZ ARG A 79 -0.485 -5.967 -10.853 1.00 54.13 C ATOM 1299 NH1 ARG A 79 0.841 -6.074 -10.775 1.00 33.22 N ATOM 1300 NH2 ARG A 79 -1.029 -5.529 -11.981 1.00 54.42 N ATOM 0 H ARG A 79 0.628 -10.364 -5.357 1.00 31.43 H new ATOM 0 HA ARG A 79 1.474 -8.662 -7.550 1.00 4.32 H new ATOM 0 HB2 ARG A 79 -0.822 -9.951 -6.959 1.00 21.32 H new ATOM 0 HB3 ARG A 79 -1.187 -8.420 -6.188 1.00 21.32 H new ATOM 0 HG2 ARG A 79 -0.495 -8.810 -9.138 1.00 10.34 H new ATOM 0 HG3 ARG A 79 -2.099 -8.531 -8.490 1.00 10.34 H new ATOM 0 HD2 ARG A 79 -1.392 -6.260 -7.712 1.00 4.42 H new ATOM 0 HD3 ARG A 79 0.215 -6.539 -8.354 1.00 4.42 H new ATOM 0 HE ARG A 79 -2.287 -6.182 -9.956 1.00 65.10 H new ATOM 0 HH11 ARG A 79 1.276 -6.406 -9.914 1.00 33.22 H new ATOM 0 HH12 ARG A 79 1.421 -5.824 -11.576 1.00 33.22 H new ATOM 0 HH21 ARG A 79 -2.042 -5.438 -12.057 1.00 54.42 H new ATOM 0 HH22 ARG A 79 -0.434 -5.283 -12.772 1.00 54.42 H new ATOM 1314 N VAL A 80 1.761 -6.395 -6.443 1.00 55.41 N ATOM 1315 CA VAL A 80 2.067 -5.108 -5.805 1.00 32.22 C ATOM 1316 C VAL A 80 1.023 -4.101 -6.298 1.00 25.24 C ATOM 1317 O VAL A 80 0.792 -3.970 -7.510 1.00 4.22 O ATOM 1318 CB VAL A 80 3.519 -4.581 -6.142 1.00 24.13 C ATOM 1319 CG1 VAL A 80 3.869 -3.347 -5.273 1.00 14.52 C ATOM 1320 CG2 VAL A 80 4.578 -5.695 -5.993 1.00 21.25 C ATOM 0 H VAL A 80 2.041 -6.443 -7.423 1.00 55.41 H new ATOM 0 HA VAL A 80 2.035 -5.236 -4.723 1.00 32.22 H new ATOM 0 HB VAL A 80 3.527 -4.271 -7.187 1.00 24.13 H new ATOM 0 HG11 VAL A 80 4.872 -3.000 -5.521 1.00 14.52 H new ATOM 0 HG12 VAL A 80 3.151 -2.550 -5.467 1.00 14.52 H new ATOM 0 HG13 VAL A 80 3.830 -3.621 -4.219 1.00 14.52 H new ATOM 0 HG21 VAL A 80 5.563 -5.295 -6.233 1.00 21.25 H new ATOM 0 HG22 VAL A 80 4.576 -6.064 -4.967 1.00 21.25 H new ATOM 0 HG23 VAL A 80 4.343 -6.514 -6.673 1.00 21.25 H new ATOM 1330 N LEU A 81 0.383 -3.428 -5.347 1.00 75.42 N ATOM 1331 CA LEU A 81 -0.766 -2.566 -5.595 1.00 72.34 C ATOM 1332 C LEU A 81 -0.590 -1.282 -4.787 1.00 62.13 C ATOM 1333 O LEU A 81 -0.664 -1.305 -3.559 1.00 33.30 O ATOM 1334 CB LEU A 81 -2.055 -3.331 -5.189 1.00 74.04 C ATOM 1335 CG LEU A 81 -3.408 -2.594 -5.395 1.00 3.32 C ATOM 1336 CD1 LEU A 81 -3.561 -2.138 -6.841 1.00 62.12 C ATOM 1337 CD2 LEU A 81 -4.590 -3.487 -4.961 1.00 21.13 C ATOM 0 H LEU A 81 0.654 -3.468 -4.364 1.00 75.42 H new ATOM 0 HA LEU A 81 -0.847 -2.299 -6.649 1.00 72.34 H new ATOM 0 HB2 LEU A 81 -2.088 -4.263 -5.753 1.00 74.04 H new ATOM 0 HB3 LEU A 81 -1.972 -3.599 -4.136 1.00 74.04 H new ATOM 0 HG LEU A 81 -3.413 -1.705 -4.764 1.00 3.32 H new ATOM 0 HD11 LEU A 81 -4.515 -1.625 -6.962 1.00 62.12 H new ATOM 0 HD12 LEU A 81 -2.748 -1.458 -7.096 1.00 62.12 H new ATOM 0 HD13 LEU A 81 -3.529 -3.005 -7.501 1.00 62.12 H new ATOM 0 HD21 LEU A 81 -5.527 -2.951 -5.114 1.00 21.13 H new ATOM 0 HD22 LEU A 81 -4.594 -4.400 -5.556 1.00 21.13 H new ATOM 0 HD23 LEU A 81 -4.486 -3.741 -3.906 1.00 21.13 H new ATOM 1349 N VAL A 82 -0.318 -0.171 -5.480 1.00 72.40 N ATOM 1350 CA VAL A 82 -0.099 1.134 -4.837 1.00 64.14 C ATOM 1351 C VAL A 82 -1.394 1.933 -4.916 1.00 74.11 C ATOM 1352 O VAL A 82 -1.819 2.347 -5.995 1.00 14.43 O ATOM 1353 CB VAL A 82 1.065 1.934 -5.531 1.00 34.02 C ATOM 1354 CG1 VAL A 82 1.428 3.224 -4.748 1.00 21.01 C ATOM 1355 CG2 VAL A 82 2.291 1.025 -5.742 1.00 24.33 C ATOM 0 H VAL A 82 -0.243 -0.148 -6.497 1.00 72.40 H new ATOM 0 HA VAL A 82 0.190 0.971 -3.799 1.00 64.14 H new ATOM 0 HB VAL A 82 0.714 2.258 -6.511 1.00 34.02 H new ATOM 0 HG11 VAL A 82 2.236 3.746 -5.261 1.00 21.01 H new ATOM 0 HG12 VAL A 82 0.554 3.873 -4.692 1.00 21.01 H new ATOM 0 HG13 VAL A 82 1.749 2.960 -3.741 1.00 21.01 H new ATOM 0 HG21 VAL A 82 3.087 1.593 -6.223 1.00 24.33 H new ATOM 0 HG22 VAL A 82 2.640 0.656 -4.778 1.00 24.33 H new ATOM 0 HG23 VAL A 82 2.014 0.182 -6.375 1.00 24.33 H new ATOM 1365 N ILE A 83 -2.017 2.163 -3.769 1.00 24.43 N ATOM 1366 CA ILE A 83 -3.278 2.892 -3.693 1.00 72.53 C ATOM 1367 C ILE A 83 -2.954 4.332 -3.306 1.00 5.44 C ATOM 1368 O ILE A 83 -2.388 4.573 -2.250 1.00 15.35 O ATOM 1369 CB ILE A 83 -4.264 2.288 -2.640 1.00 3.41 C ATOM 1370 CG1 ILE A 83 -4.068 0.750 -2.463 1.00 45.33 C ATOM 1371 CG2 ILE A 83 -5.708 2.603 -3.071 1.00 32.14 C ATOM 1372 CD1 ILE A 83 -4.692 0.214 -1.189 1.00 52.44 C ATOM 0 H ILE A 83 -1.664 1.850 -2.865 1.00 24.43 H new ATOM 0 HA ILE A 83 -3.773 2.828 -4.662 1.00 72.53 H new ATOM 0 HB ILE A 83 -4.054 2.743 -1.672 1.00 3.41 H new ATOM 0 HG12 ILE A 83 -4.503 0.233 -3.319 1.00 45.33 H new ATOM 0 HG13 ILE A 83 -3.002 0.523 -2.462 1.00 45.33 H new ATOM 0 HG21 ILE A 83 -6.404 2.186 -2.343 1.00 32.14 H new ATOM 0 HG22 ILE A 83 -5.844 3.683 -3.126 1.00 32.14 H new ATOM 0 HG23 ILE A 83 -5.900 2.163 -4.050 1.00 32.14 H new ATOM 0 HD11 ILE A 83 -4.521 -0.861 -1.124 1.00 52.44 H new ATOM 0 HD12 ILE A 83 -4.240 0.706 -0.328 1.00 52.44 H new ATOM 0 HD13 ILE A 83 -5.764 0.411 -1.198 1.00 52.44 H new ATOM 1384 N LYS A 84 -3.357 5.273 -4.133 1.00 54.23 N ATOM 1385 CA LYS A 84 -2.735 6.588 -4.185 1.00 13.30 C ATOM 1386 C LYS A 84 -3.790 7.699 -4.248 1.00 13.41 C ATOM 1387 O LYS A 84 -4.705 7.652 -5.085 1.00 54.11 O ATOM 1388 CB LYS A 84 -1.829 6.561 -5.437 1.00 0.23 C ATOM 1389 CG LYS A 84 -1.041 7.838 -5.723 1.00 52.51 C ATOM 1390 CD LYS A 84 -0.099 7.661 -6.929 1.00 72.42 C ATOM 1391 CE LYS A 84 0.663 8.942 -7.237 1.00 44.44 C ATOM 1392 NZ LYS A 84 1.452 9.417 -6.071 1.00 61.40 N ATOM 0 H LYS A 84 -4.127 5.152 -4.791 1.00 54.23 H new ATOM 0 HA LYS A 84 -2.153 6.804 -3.289 1.00 13.30 H new ATOM 0 HB2 LYS A 84 -1.122 5.738 -5.332 1.00 0.23 H new ATOM 0 HB3 LYS A 84 -2.450 6.339 -6.305 1.00 0.23 H new ATOM 0 HG2 LYS A 84 -1.733 8.658 -5.917 1.00 52.51 H new ATOM 0 HG3 LYS A 84 -0.460 8.113 -4.843 1.00 52.51 H new ATOM 0 HD2 LYS A 84 0.608 6.857 -6.725 1.00 72.42 H new ATOM 0 HD3 LYS A 84 -0.678 7.362 -7.803 1.00 72.42 H new ATOM 0 HE2 LYS A 84 1.331 8.772 -8.081 1.00 44.44 H new ATOM 0 HE3 LYS A 84 -0.040 9.718 -7.539 1.00 44.44 H new ATOM 0 HZ1 LYS A 84 2.386 9.741 -6.393 1.00 61.40 H new ATOM 0 HZ2 LYS A 84 0.952 10.204 -5.611 1.00 61.40 H new ATOM 0 HZ3 LYS A 84 1.571 8.638 -5.392 1.00 61.40 H new ATOM 1406 N VAL A 85 -3.662 8.686 -3.335 1.00 15.52 N ATOM 1407 CA VAL A 85 -4.466 9.918 -3.351 1.00 41.11 C ATOM 1408 C VAL A 85 -3.777 10.909 -4.298 1.00 14.14 C ATOM 1409 O VAL A 85 -2.595 11.231 -4.119 1.00 31.14 O ATOM 1410 CB VAL A 85 -4.627 10.541 -1.906 1.00 23.21 C ATOM 1411 CG1 VAL A 85 -5.472 11.840 -1.924 1.00 41.43 C ATOM 1412 CG2 VAL A 85 -5.228 9.511 -0.915 1.00 2.43 C ATOM 0 H VAL A 85 -2.994 8.646 -2.565 1.00 15.52 H new ATOM 0 HA VAL A 85 -5.474 9.690 -3.697 1.00 41.11 H new ATOM 0 HB VAL A 85 -3.627 10.806 -1.562 1.00 23.21 H new ATOM 0 HG11 VAL A 85 -5.557 12.233 -0.911 1.00 41.43 H new ATOM 0 HG12 VAL A 85 -4.988 12.580 -2.561 1.00 41.43 H new ATOM 0 HG13 VAL A 85 -6.467 11.622 -2.313 1.00 41.43 H new ATOM 0 HG21 VAL A 85 -5.327 9.968 0.070 1.00 2.43 H new ATOM 0 HG22 VAL A 85 -6.210 9.196 -1.269 1.00 2.43 H new ATOM 0 HG23 VAL A 85 -4.571 8.644 -0.848 1.00 2.43 H new ATOM 1422 N ALA A 86 -4.524 11.366 -5.310 1.00 71.33 N ATOM 1423 CA ALA A 86 -3.972 12.088 -6.462 1.00 62.44 C ATOM 1424 C ALA A 86 -5.009 13.053 -7.039 1.00 43.25 C ATOM 1425 O ALA A 86 -6.179 12.693 -7.172 1.00 22.14 O ATOM 1426 CB ALA A 86 -3.536 11.074 -7.529 1.00 5.31 C ATOM 0 H ALA A 86 -5.536 11.244 -5.353 1.00 71.33 H new ATOM 0 HA ALA A 86 -3.110 12.672 -6.140 1.00 62.44 H new ATOM 0 HB1 ALA A 86 -3.125 11.604 -8.388 1.00 5.31 H new ATOM 0 HB2 ALA A 86 -2.776 10.412 -7.113 1.00 5.31 H new ATOM 0 HB3 ALA A 86 -4.397 10.485 -7.844 1.00 5.31 H new ATOM 1432 N GLN A 87 -4.563 14.277 -7.365 1.00 20.11 N ATOM 1433 CA GLN A 87 -5.388 15.311 -8.031 1.00 53.23 C ATOM 1434 C GLN A 87 -4.658 15.850 -9.279 1.00 73.32 C ATOM 1435 O GLN A 87 -5.227 16.624 -10.055 1.00 64.32 O ATOM 1436 CB GLN A 87 -5.677 16.483 -7.045 1.00 14.50 C ATOM 1437 CG GLN A 87 -6.491 16.105 -5.785 1.00 50.03 C ATOM 1438 CD GLN A 87 -7.879 15.535 -6.102 1.00 1.14 C ATOM 1439 OE1 GLN A 87 -8.512 15.902 -7.096 1.00 65.25 O ATOM 1440 NE2 GLN A 87 -8.367 14.637 -5.262 1.00 13.53 N ATOM 0 H GLN A 87 -3.610 14.585 -7.174 1.00 20.11 H new ATOM 0 HA GLN A 87 -6.332 14.860 -8.337 1.00 53.23 H new ATOM 0 HB2 GLN A 87 -4.726 16.911 -6.728 1.00 14.50 H new ATOM 0 HB3 GLN A 87 -6.214 17.264 -7.583 1.00 14.50 H new ATOM 0 HG2 GLN A 87 -5.930 15.372 -5.206 1.00 50.03 H new ATOM 0 HG3 GLN A 87 -6.605 16.989 -5.157 1.00 50.03 H new ATOM 0 HE21 GLN A 87 -7.823 14.351 -4.448 1.00 13.53 H new ATOM 0 HE22 GLN A 87 -9.287 14.230 -5.428 1.00 13.53 H new ATOM 1449 N ASP A 88 -3.398 15.415 -9.460 1.00 55.03 N ATOM 1450 CA ASP A 88 -2.462 15.979 -10.449 1.00 33.54 C ATOM 1451 C ASP A 88 -2.812 15.483 -11.866 1.00 1.24 C ATOM 1452 O ASP A 88 -3.144 16.275 -12.755 1.00 45.54 O ATOM 1453 CB ASP A 88 -1.006 15.554 -10.081 1.00 73.04 C ATOM 1454 CG ASP A 88 -0.679 15.774 -8.594 1.00 31.34 C ATOM 1455 OD1 ASP A 88 -1.065 14.914 -7.764 1.00 72.10 O ATOM 1456 OD2 ASP A 88 -0.056 16.803 -8.249 1.00 64.11 O ATOM 0 H ASP A 88 -2.996 14.652 -8.916 1.00 55.03 H new ATOM 0 HA ASP A 88 -2.541 17.066 -10.435 1.00 33.54 H new ATOM 0 HB2 ASP A 88 -0.866 14.501 -10.327 1.00 73.04 H new ATOM 0 HB3 ASP A 88 -0.302 16.120 -10.691 1.00 73.04 H new ATOM 1461 N GLN A 89 -2.758 14.137 -12.014 1.00 53.11 N ATOM 1462 CA GLN A 89 -2.916 13.389 -13.281 1.00 15.23 C ATOM 1463 C GLN A 89 -1.719 13.623 -14.244 1.00 55.24 C ATOM 1464 O GLN A 89 -0.968 12.691 -14.502 1.00 5.13 O ATOM 1465 CB GLN A 89 -4.283 13.650 -13.985 1.00 71.22 C ATOM 1466 CG GLN A 89 -5.522 13.340 -13.116 1.00 61.23 C ATOM 1467 CD GLN A 89 -6.834 13.408 -13.909 1.00 44.20 C ATOM 1468 OE1 GLN A 89 -7.308 12.403 -14.442 1.00 73.30 O ATOM 1469 NE2 GLN A 89 -7.411 14.591 -14.023 1.00 33.12 N ATOM 0 H GLN A 89 -2.596 13.519 -11.219 1.00 53.11 H new ATOM 0 HA GLN A 89 -2.917 12.334 -13.006 1.00 15.23 H new ATOM 0 HB2 GLN A 89 -4.324 14.694 -14.294 1.00 71.22 H new ATOM 0 HB3 GLN A 89 -4.331 13.047 -14.892 1.00 71.22 H new ATOM 0 HG2 GLN A 89 -5.416 12.346 -12.681 1.00 61.23 H new ATOM 0 HG3 GLN A 89 -5.566 14.047 -12.288 1.00 61.23 H new ATOM 0 HE21 GLN A 89 -6.997 15.406 -13.571 1.00 33.12 H new ATOM 0 HE22 GLN A 89 -8.271 14.689 -14.563 1.00 33.12 H new ATOM 1478 N GLU A 90 -1.534 14.868 -14.730 1.00 0.10 N ATOM 1479 CA GLU A 90 -0.472 15.217 -15.713 1.00 21.13 C ATOM 1480 C GLU A 90 0.951 15.056 -15.114 1.00 11.40 C ATOM 1481 O GLU A 90 1.773 14.309 -15.650 1.00 14.15 O ATOM 1482 CB GLU A 90 -0.678 16.672 -16.205 1.00 3.20 C ATOM 1483 CG GLU A 90 0.376 17.168 -17.219 1.00 51.30 C ATOM 1484 CD GLU A 90 0.175 18.637 -17.616 1.00 72.21 C ATOM 1485 OE1 GLU A 90 -0.601 18.916 -18.560 1.00 23.40 O ATOM 1486 OE2 GLU A 90 0.790 19.522 -16.978 1.00 15.45 O ATOM 0 H GLU A 90 -2.112 15.662 -14.456 1.00 0.10 H new ATOM 0 HA GLU A 90 -0.553 14.526 -16.552 1.00 21.13 H new ATOM 0 HB2 GLU A 90 -1.665 16.750 -16.661 1.00 3.20 H new ATOM 0 HB3 GLU A 90 -0.672 17.337 -15.341 1.00 3.20 H new ATOM 0 HG2 GLU A 90 1.371 17.045 -16.791 1.00 51.30 H new ATOM 0 HG3 GLU A 90 0.334 16.546 -18.113 1.00 51.30 H new ATOM 1493 N LEU A 91 1.211 15.744 -13.988 1.00 52.40 N ATOM 1494 CA LEU A 91 2.519 15.698 -13.282 1.00 33.42 C ATOM 1495 C LEU A 91 2.726 14.327 -12.617 1.00 14.42 C ATOM 1496 O LEU A 91 3.861 13.862 -12.441 1.00 14.20 O ATOM 1497 CB LEU A 91 2.610 16.839 -12.226 1.00 73.22 C ATOM 1498 CG LEU A 91 3.961 16.957 -11.442 1.00 34.31 C ATOM 1499 CD1 LEU A 91 5.166 17.113 -12.400 1.00 11.41 C ATOM 1500 CD2 LEU A 91 3.910 18.103 -10.402 1.00 10.33 C ATOM 0 H LEU A 91 0.526 16.349 -13.536 1.00 52.40 H new ATOM 0 HA LEU A 91 3.311 15.846 -14.016 1.00 33.42 H new ATOM 0 HB2 LEU A 91 2.424 17.787 -12.731 1.00 73.22 H new ATOM 0 HB3 LEU A 91 1.806 16.700 -11.503 1.00 73.22 H new ATOM 0 HG LEU A 91 4.103 16.024 -10.896 1.00 34.31 H new ATOM 0 HD11 LEU A 91 6.085 17.192 -11.819 1.00 11.41 H new ATOM 0 HD12 LEU A 91 5.225 16.244 -13.056 1.00 11.41 H new ATOM 0 HD13 LEU A 91 5.039 18.013 -13.001 1.00 11.41 H new ATOM 0 HD21 LEU A 91 4.862 18.159 -9.875 1.00 10.33 H new ATOM 0 HD22 LEU A 91 3.721 19.048 -10.911 1.00 10.33 H new ATOM 0 HD23 LEU A 91 3.110 17.910 -9.687 1.00 10.33 H new ATOM 1512 N LEU A 92 1.592 13.698 -12.287 1.00 21.13 N ATOM 1513 CA LEU A 92 1.515 12.401 -11.608 1.00 54.21 C ATOM 1514 C LEU A 92 2.281 11.325 -12.400 1.00 23.11 C ATOM 1515 O LEU A 92 3.042 10.547 -11.813 1.00 50.42 O ATOM 1516 CB LEU A 92 0.016 12.002 -11.489 1.00 52.14 C ATOM 1517 CG LEU A 92 -0.363 11.035 -10.342 1.00 3.23 C ATOM 1518 CD1 LEU A 92 -0.271 11.769 -8.988 1.00 12.52 C ATOM 1519 CD2 LEU A 92 -1.762 10.409 -10.571 1.00 3.31 C ATOM 0 H LEU A 92 0.673 14.091 -12.492 1.00 21.13 H new ATOM 0 HA LEU A 92 1.969 12.478 -10.620 1.00 54.21 H new ATOM 0 HB2 LEU A 92 -0.569 12.914 -11.371 1.00 52.14 H new ATOM 0 HB3 LEU A 92 -0.290 11.547 -12.431 1.00 52.14 H new ATOM 0 HG LEU A 92 0.347 10.208 -10.328 1.00 3.23 H new ATOM 0 HD11 LEU A 92 -0.539 11.084 -8.184 1.00 12.52 H new ATOM 0 HD12 LEU A 92 0.748 12.126 -8.836 1.00 12.52 H new ATOM 0 HD13 LEU A 92 -0.957 12.616 -8.986 1.00 12.52 H new ATOM 0 HD21 LEU A 92 -1.998 9.735 -9.748 1.00 3.31 H new ATOM 0 HD22 LEU A 92 -2.511 11.200 -10.619 1.00 3.31 H new ATOM 0 HD23 LEU A 92 -1.762 9.852 -11.508 1.00 3.31 H new ATOM 1531 N GLU A 93 2.134 11.394 -13.744 1.00 23.10 N ATOM 1532 CA GLU A 93 2.551 10.349 -14.696 1.00 13.54 C ATOM 1533 C GLU A 93 4.037 9.952 -14.583 1.00 63.40 C ATOM 1534 O GLU A 93 4.379 8.826 -14.933 1.00 13.41 O ATOM 1535 CB GLU A 93 2.278 10.819 -16.157 1.00 70.43 C ATOM 1536 CG GLU A 93 0.806 11.120 -16.481 1.00 30.31 C ATOM 1537 CD GLU A 93 -0.109 9.887 -16.391 1.00 50.41 C ATOM 1538 OE1 GLU A 93 -0.271 9.191 -17.417 1.00 12.12 O ATOM 1539 OE2 GLU A 93 -0.664 9.597 -15.308 1.00 13.23 O ATOM 0 H GLU A 93 1.711 12.200 -14.203 1.00 23.10 H new ATOM 0 HA GLU A 93 1.960 9.469 -14.441 1.00 13.54 H new ATOM 0 HB2 GLU A 93 2.867 11.716 -16.350 1.00 70.43 H new ATOM 0 HB3 GLU A 93 2.635 10.050 -16.842 1.00 70.43 H new ATOM 0 HG2 GLU A 93 0.441 11.884 -15.795 1.00 30.31 H new ATOM 0 HG3 GLU A 93 0.742 11.537 -17.486 1.00 30.31 H new ATOM 1546 N ARG A 94 4.916 10.862 -14.113 1.00 20.14 N ATOM 1547 CA ARG A 94 6.371 10.611 -14.152 1.00 22.15 C ATOM 1548 C ARG A 94 6.770 9.407 -13.276 1.00 32.24 C ATOM 1549 O ARG A 94 7.428 8.492 -13.759 1.00 2.11 O ATOM 1550 CB ARG A 94 7.185 11.873 -13.769 1.00 50.13 C ATOM 1551 CG ARG A 94 8.704 11.707 -14.027 1.00 63.13 C ATOM 1552 CD ARG A 94 9.516 12.994 -13.836 1.00 55.41 C ATOM 1553 NE ARG A 94 10.927 12.788 -14.218 1.00 41.51 N ATOM 1554 CZ ARG A 94 11.800 13.751 -14.562 1.00 22.24 C ATOM 1555 NH1 ARG A 94 11.446 15.040 -14.577 1.00 53.22 N ATOM 1556 NH2 ARG A 94 13.038 13.412 -14.897 1.00 14.30 N ATOM 0 H ARG A 94 4.650 11.760 -13.710 1.00 20.14 H new ATOM 0 HA ARG A 94 6.617 10.362 -15.184 1.00 22.15 H new ATOM 0 HB2 ARG A 94 6.815 12.725 -14.339 1.00 50.13 H new ATOM 0 HB3 ARG A 94 7.022 12.099 -12.715 1.00 50.13 H new ATOM 0 HG2 ARG A 94 9.094 10.941 -13.356 1.00 63.13 H new ATOM 0 HG3 ARG A 94 8.851 11.345 -15.044 1.00 63.13 H new ATOM 0 HD2 ARG A 94 9.085 13.794 -14.439 1.00 55.41 H new ATOM 0 HD3 ARG A 94 9.460 13.313 -12.795 1.00 55.41 H new ATOM 0 HE ARG A 94 11.271 11.828 -14.221 1.00 41.51 H new ATOM 0 HH11 ARG A 94 10.496 15.311 -14.324 1.00 53.22 H new ATOM 0 HH12 ARG A 94 12.126 15.753 -14.842 1.00 53.22 H new ATOM 0 HH21 ARG A 94 13.317 12.431 -14.892 1.00 14.30 H new ATOM 0 HH22 ARG A 94 13.711 14.132 -15.160 1.00 14.30 H new ATOM 1570 N PHE A 95 6.348 9.414 -11.998 1.00 65.44 N ATOM 1571 CA PHE A 95 6.572 8.275 -11.076 1.00 72.33 C ATOM 1572 C PHE A 95 5.539 7.167 -11.338 1.00 75.10 C ATOM 1573 O PHE A 95 5.884 5.993 -11.475 1.00 63.33 O ATOM 1574 CB PHE A 95 6.500 8.744 -9.592 1.00 71.12 C ATOM 1575 CG PHE A 95 6.748 7.631 -8.559 1.00 63.12 C ATOM 1576 CD1 PHE A 95 8.046 7.188 -8.286 1.00 5.20 C ATOM 1577 CD2 PHE A 95 5.690 7.016 -7.871 1.00 62.14 C ATOM 1578 CE1 PHE A 95 8.278 6.178 -7.367 1.00 31.34 C ATOM 1579 CE2 PHE A 95 5.933 6.004 -6.954 1.00 3.22 C ATOM 1580 CZ PHE A 95 7.226 5.589 -6.700 1.00 34.30 C ATOM 0 H PHE A 95 5.848 10.196 -11.575 1.00 65.44 H new ATOM 0 HA PHE A 95 7.569 7.875 -11.260 1.00 72.33 H new ATOM 0 HB2 PHE A 95 7.234 9.535 -9.438 1.00 71.12 H new ATOM 0 HB3 PHE A 95 5.518 9.180 -9.409 1.00 71.12 H new ATOM 0 HD1 PHE A 95 8.881 7.641 -8.800 1.00 5.20 H new ATOM 0 HD2 PHE A 95 4.675 7.335 -8.058 1.00 62.14 H new ATOM 0 HE1 PHE A 95 9.289 5.850 -7.172 1.00 31.34 H new ATOM 0 HE2 PHE A 95 5.108 5.538 -6.436 1.00 3.22 H new ATOM 0 HZ PHE A 95 7.412 4.805 -5.981 1.00 34.30 H new ATOM 1590 N TYR A 96 4.275 7.601 -11.436 1.00 24.10 N ATOM 1591 CA TYR A 96 3.070 6.746 -11.528 1.00 64.02 C ATOM 1592 C TYR A 96 3.163 5.688 -12.659 1.00 33.22 C ATOM 1593 O TYR A 96 2.754 4.536 -12.476 1.00 62.33 O ATOM 1594 CB TYR A 96 1.876 7.711 -11.736 1.00 35.11 C ATOM 1595 CG TYR A 96 0.494 7.107 -11.958 1.00 1.12 C ATOM 1596 CD1 TYR A 96 -0.337 6.787 -10.889 1.00 14.55 C ATOM 1597 CD2 TYR A 96 -0.003 6.922 -13.249 1.00 63.13 C ATOM 1598 CE1 TYR A 96 -1.609 6.309 -11.104 1.00 75.12 C ATOM 1599 CE2 TYR A 96 -1.262 6.430 -13.463 1.00 33.14 C ATOM 1600 CZ TYR A 96 -2.071 6.127 -12.395 1.00 73.43 C ATOM 1601 OH TYR A 96 -3.344 5.637 -12.610 1.00 34.40 O ATOM 0 H TYR A 96 4.048 8.595 -11.455 1.00 24.10 H new ATOM 0 HA TYR A 96 2.953 6.157 -10.618 1.00 64.02 H new ATOM 0 HB2 TYR A 96 1.819 8.363 -10.864 1.00 35.11 H new ATOM 0 HB3 TYR A 96 2.105 8.344 -12.593 1.00 35.11 H new ATOM 0 HD1 TYR A 96 0.021 6.915 -9.878 1.00 14.55 H new ATOM 0 HD2 TYR A 96 0.618 7.172 -14.096 1.00 63.13 H new ATOM 0 HE1 TYR A 96 -2.247 6.076 -10.264 1.00 75.12 H new ATOM 0 HE2 TYR A 96 -1.619 6.280 -14.471 1.00 33.14 H new ATOM 0 HH TYR A 96 -3.511 5.571 -13.573 1.00 34.40 H new ATOM 1611 N GLU A 97 3.751 6.090 -13.803 1.00 74.33 N ATOM 1612 CA GLU A 97 3.797 5.262 -15.023 1.00 32.34 C ATOM 1613 C GLU A 97 4.878 4.191 -14.912 1.00 15.43 C ATOM 1614 O GLU A 97 4.701 3.099 -15.430 1.00 63.05 O ATOM 1615 CB GLU A 97 4.062 6.138 -16.273 1.00 74.13 C ATOM 1616 CG GLU A 97 4.178 5.359 -17.610 1.00 24.33 C ATOM 1617 CD GLU A 97 4.612 6.237 -18.787 1.00 21.54 C ATOM 1618 OE1 GLU A 97 5.828 6.421 -18.975 1.00 11.50 O ATOM 1619 OE2 GLU A 97 3.749 6.749 -19.531 1.00 33.12 O ATOM 0 H GLU A 97 4.207 6.997 -13.907 1.00 74.33 H new ATOM 0 HA GLU A 97 2.827 4.776 -15.129 1.00 32.34 H new ATOM 0 HB2 GLU A 97 3.257 6.867 -16.364 1.00 74.13 H new ATOM 0 HB3 GLU A 97 4.983 6.699 -16.116 1.00 74.13 H new ATOM 0 HG2 GLU A 97 4.894 4.547 -17.488 1.00 24.33 H new ATOM 0 HG3 GLU A 97 3.215 4.903 -17.841 1.00 24.33 H new ATOM 1626 N GLN A 98 5.982 4.522 -14.207 1.00 72.14 N ATOM 1627 CA GLN A 98 7.171 3.647 -14.084 1.00 50.44 C ATOM 1628 C GLN A 98 6.792 2.272 -13.504 1.00 33.40 C ATOM 1629 O GLN A 98 7.276 1.228 -13.958 1.00 42.11 O ATOM 1630 CB GLN A 98 8.236 4.308 -13.171 1.00 61.40 C ATOM 1631 CG GLN A 98 8.740 5.693 -13.618 1.00 42.20 C ATOM 1632 CD GLN A 98 9.106 5.788 -15.099 1.00 52.14 C ATOM 1633 OE1 GLN A 98 10.236 5.512 -15.501 1.00 32.14 O ATOM 1634 NE2 GLN A 98 8.157 6.216 -15.921 1.00 61.34 N ATOM 0 H GLN A 98 6.075 5.405 -13.706 1.00 72.14 H new ATOM 0 HA GLN A 98 7.581 3.507 -15.084 1.00 50.44 H new ATOM 0 HB2 GLN A 98 7.819 4.401 -12.168 1.00 61.40 H new ATOM 0 HB3 GLN A 98 9.092 3.637 -13.100 1.00 61.40 H new ATOM 0 HG2 GLN A 98 7.971 6.433 -13.399 1.00 42.20 H new ATOM 0 HG3 GLN A 98 9.615 5.956 -13.023 1.00 42.20 H new ATOM 0 HE21 GLN A 98 7.230 6.437 -15.558 1.00 61.34 H new ATOM 0 HE22 GLN A 98 8.355 6.324 -16.916 1.00 61.34 H new ATOM 1643 N LEU A 99 5.899 2.312 -12.502 1.00 34.35 N ATOM 1644 CA LEU A 99 5.416 1.122 -11.797 1.00 40.22 C ATOM 1645 C LEU A 99 4.457 0.319 -12.701 1.00 13.01 C ATOM 1646 O LEU A 99 4.558 -0.903 -12.782 1.00 44.40 O ATOM 1647 CB LEU A 99 4.745 1.518 -10.443 1.00 64.25 C ATOM 1648 CG LEU A 99 5.709 2.037 -9.307 1.00 72.13 C ATOM 1649 CD1 LEU A 99 6.363 3.388 -9.658 1.00 40.42 C ATOM 1650 CD2 LEU A 99 4.982 2.119 -7.952 1.00 53.00 C ATOM 0 H LEU A 99 5.491 3.181 -12.158 1.00 34.35 H new ATOM 0 HA LEU A 99 6.265 0.480 -11.561 1.00 40.22 H new ATOM 0 HB2 LEU A 99 4.004 2.292 -10.643 1.00 64.25 H new ATOM 0 HB3 LEU A 99 4.205 0.651 -10.063 1.00 64.25 H new ATOM 0 HG LEU A 99 6.512 1.305 -9.224 1.00 72.13 H new ATOM 0 HD11 LEU A 99 7.016 3.699 -8.843 1.00 40.42 H new ATOM 0 HD12 LEU A 99 6.948 3.283 -10.572 1.00 40.42 H new ATOM 0 HD13 LEU A 99 5.588 4.139 -9.808 1.00 40.42 H new ATOM 0 HD21 LEU A 99 5.673 2.480 -7.190 1.00 53.00 H new ATOM 0 HD22 LEU A 99 4.139 2.806 -8.032 1.00 53.00 H new ATOM 0 HD23 LEU A 99 4.619 1.130 -7.674 1.00 53.00 H new ATOM 1662 N LYS A 100 3.565 1.032 -13.424 1.00 41.45 N ATOM 1663 CA LYS A 100 2.578 0.403 -14.337 1.00 25.14 C ATOM 1664 C LYS A 100 3.269 -0.208 -15.580 1.00 72.30 C ATOM 1665 O LYS A 100 2.797 -1.202 -16.136 1.00 45.11 O ATOM 1666 CB LYS A 100 1.508 1.428 -14.798 1.00 3.33 C ATOM 1667 CG LYS A 100 0.753 2.151 -13.659 1.00 65.12 C ATOM 1668 CD LYS A 100 -0.487 2.949 -14.163 1.00 60.10 C ATOM 1669 CE LYS A 100 -1.754 2.082 -14.354 1.00 63.15 C ATOM 1670 NZ LYS A 100 -1.574 0.957 -15.314 1.00 72.20 N ATOM 0 H LYS A 100 3.507 2.050 -13.394 1.00 41.45 H new ATOM 0 HA LYS A 100 2.090 -0.394 -13.776 1.00 25.14 H new ATOM 0 HB2 LYS A 100 1.992 2.178 -15.424 1.00 3.33 H new ATOM 0 HB3 LYS A 100 0.780 0.912 -15.424 1.00 3.33 H new ATOM 0 HG2 LYS A 100 0.430 1.417 -12.921 1.00 65.12 H new ATOM 0 HG3 LYS A 100 1.436 2.833 -13.153 1.00 65.12 H new ATOM 0 HD2 LYS A 100 -0.707 3.746 -13.453 1.00 60.10 H new ATOM 0 HD3 LYS A 100 -0.239 3.427 -15.111 1.00 60.10 H new ATOM 0 HE2 LYS A 100 -2.055 1.678 -13.388 1.00 63.15 H new ATOM 0 HE3 LYS A 100 -2.569 2.717 -14.702 1.00 63.15 H new ATOM 0 HZ1 LYS A 100 -2.503 0.648 -15.664 1.00 72.20 H new ATOM 0 HZ2 LYS A 100 -0.990 1.274 -16.114 1.00 72.20 H new ATOM 0 HZ3 LYS A 100 -1.103 0.163 -14.834 1.00 72.20 H new ATOM 1684 N LYS A 101 4.390 0.420 -15.979 1.00 14.30 N ATOM 1685 CA LYS A 101 5.199 0.035 -17.155 1.00 75.43 C ATOM 1686 C LYS A 101 5.857 -1.326 -16.913 1.00 62.22 C ATOM 1687 O LYS A 101 5.970 -2.158 -17.824 1.00 53.52 O ATOM 1688 CB LYS A 101 6.276 1.117 -17.405 1.00 25.33 C ATOM 1689 CG LYS A 101 7.147 0.901 -18.665 1.00 20.53 C ATOM 1690 CD LYS A 101 8.247 1.973 -18.818 1.00 53.22 C ATOM 1691 CE LYS A 101 7.691 3.406 -18.789 1.00 73.11 C ATOM 1692 NZ LYS A 101 6.690 3.649 -19.864 1.00 74.31 N ATOM 0 H LYS A 101 4.769 1.227 -15.484 1.00 14.30 H new ATOM 0 HA LYS A 101 4.558 -0.044 -18.033 1.00 75.43 H new ATOM 0 HB2 LYS A 101 5.783 2.086 -17.486 1.00 25.33 H new ATOM 0 HB3 LYS A 101 6.930 1.164 -16.534 1.00 25.33 H new ATOM 0 HG2 LYS A 101 7.610 -0.085 -18.617 1.00 20.53 H new ATOM 0 HG3 LYS A 101 6.509 0.911 -19.549 1.00 20.53 H new ATOM 0 HD2 LYS A 101 8.977 1.855 -18.017 1.00 53.22 H new ATOM 0 HD3 LYS A 101 8.776 1.812 -19.757 1.00 53.22 H new ATOM 0 HE2 LYS A 101 7.231 3.595 -17.819 1.00 73.11 H new ATOM 0 HE3 LYS A 101 8.513 4.114 -18.895 1.00 73.11 H new ATOM 0 HZ1 LYS A 101 6.358 4.633 -19.813 1.00 74.31 H new ATOM 0 HZ2 LYS A 101 7.129 3.479 -20.792 1.00 74.31 H new ATOM 0 HZ3 LYS A 101 5.883 3.004 -19.739 1.00 74.31 H new ATOM 1706 N ASP A 102 6.302 -1.509 -15.664 1.00 11.11 N ATOM 1707 CA ASP A 102 6.752 -2.799 -15.153 1.00 14.13 C ATOM 1708 C ASP A 102 5.563 -3.787 -15.177 1.00 75.44 C ATOM 1709 O ASP A 102 5.624 -4.850 -15.811 1.00 11.31 O ATOM 1710 CB ASP A 102 7.301 -2.606 -13.713 1.00 34.14 C ATOM 1711 CG ASP A 102 7.781 -3.915 -13.061 1.00 51.13 C ATOM 1712 OD1 ASP A 102 6.937 -4.658 -12.516 1.00 71.12 O ATOM 1713 OD2 ASP A 102 8.996 -4.209 -13.104 1.00 4.31 O ATOM 0 H ASP A 102 6.358 -0.756 -14.978 1.00 11.11 H new ATOM 0 HA ASP A 102 7.551 -3.207 -15.772 1.00 14.13 H new ATOM 0 HB2 ASP A 102 8.129 -1.897 -13.740 1.00 34.14 H new ATOM 0 HB3 ASP A 102 6.522 -2.163 -13.092 1.00 34.14 H new ATOM 1718 N GLY A 103 4.467 -3.375 -14.516 1.00 41.44 N ATOM 1719 CA GLY A 103 3.243 -4.170 -14.423 1.00 45.34 C ATOM 1720 C GLY A 103 2.447 -3.898 -13.149 1.00 23.15 C ATOM 1721 O GLY A 103 1.275 -4.275 -13.071 1.00 62.24 O ATOM 0 H GLY A 103 4.411 -2.479 -14.032 1.00 41.44 H new ATOM 0 HA2 GLY A 103 2.614 -3.961 -15.289 1.00 45.34 H new ATOM 0 HA3 GLY A 103 3.500 -5.228 -14.464 1.00 45.34 H new ATOM 1725 N VAL A 104 3.099 -3.251 -12.154 1.00 13.12 N ATOM 1726 CA VAL A 104 2.513 -2.937 -10.827 1.00 73.21 C ATOM 1727 C VAL A 104 1.209 -2.142 -10.967 1.00 14.21 C ATOM 1728 O VAL A 104 1.209 -1.055 -11.558 1.00 11.45 O ATOM 1729 CB VAL A 104 3.540 -2.113 -9.958 1.00 13.13 C ATOM 1730 CG1 VAL A 104 2.968 -1.707 -8.579 1.00 12.12 C ATOM 1731 CG2 VAL A 104 4.869 -2.883 -9.816 1.00 21.10 C ATOM 0 H VAL A 104 4.061 -2.927 -12.251 1.00 13.12 H new ATOM 0 HA VAL A 104 2.290 -3.882 -10.332 1.00 73.21 H new ATOM 0 HB VAL A 104 3.735 -1.181 -10.489 1.00 13.13 H new ATOM 0 HG11 VAL A 104 3.719 -1.143 -8.026 1.00 12.12 H new ATOM 0 HG12 VAL A 104 2.081 -1.089 -8.721 1.00 12.12 H new ATOM 0 HG13 VAL A 104 2.701 -2.603 -8.018 1.00 12.12 H new ATOM 0 HG21 VAL A 104 5.565 -2.299 -9.214 1.00 21.10 H new ATOM 0 HG22 VAL A 104 4.684 -3.841 -9.331 1.00 21.10 H new ATOM 0 HG23 VAL A 104 5.298 -3.053 -10.803 1.00 21.10 H new ATOM 1741 N ASP A 105 0.105 -2.698 -10.433 1.00 51.52 N ATOM 1742 CA ASP A 105 -1.207 -2.034 -10.478 1.00 35.45 C ATOM 1743 C ASP A 105 -1.215 -0.895 -9.463 1.00 40.35 C ATOM 1744 O ASP A 105 -0.564 -0.977 -8.415 1.00 73.30 O ATOM 1745 CB ASP A 105 -2.378 -3.012 -10.172 1.00 64.34 C ATOM 1746 CG ASP A 105 -3.741 -2.509 -10.713 1.00 61.44 C ATOM 1747 OD1 ASP A 105 -3.992 -2.667 -11.930 1.00 51.42 O ATOM 1748 OD2 ASP A 105 -4.561 -1.950 -9.948 1.00 40.31 O ATOM 0 H ASP A 105 0.098 -3.605 -9.966 1.00 51.52 H new ATOM 0 HA ASP A 105 -1.359 -1.656 -11.489 1.00 35.45 H new ATOM 0 HB2 ASP A 105 -2.156 -3.985 -10.610 1.00 64.34 H new ATOM 0 HB3 ASP A 105 -2.452 -3.157 -9.094 1.00 64.34 H new ATOM 1753 N VAL A 106 -1.947 0.159 -9.775 1.00 3.13 N ATOM 1754 CA VAL A 106 -2.132 1.302 -8.888 1.00 42.33 C ATOM 1755 C VAL A 106 -3.631 1.637 -8.854 1.00 60.44 C ATOM 1756 O VAL A 106 -4.278 1.724 -9.905 1.00 54.35 O ATOM 1757 CB VAL A 106 -1.290 2.556 -9.352 1.00 62.51 C ATOM 1758 CG1 VAL A 106 0.238 2.341 -9.216 1.00 2.11 C ATOM 1759 CG2 VAL A 106 -1.642 2.941 -10.794 1.00 45.11 C ATOM 0 H VAL A 106 -2.439 0.250 -10.664 1.00 3.13 H new ATOM 0 HA VAL A 106 -1.774 1.044 -7.891 1.00 42.33 H new ATOM 0 HB VAL A 106 -1.559 3.373 -8.682 1.00 62.51 H new ATOM 0 HG11 VAL A 106 0.763 3.236 -9.550 1.00 2.11 H new ATOM 0 HG12 VAL A 106 0.486 2.143 -8.173 1.00 2.11 H new ATOM 0 HG13 VAL A 106 0.542 1.493 -9.829 1.00 2.11 H new ATOM 0 HG21 VAL A 106 -1.051 3.807 -11.094 1.00 45.11 H new ATOM 0 HG22 VAL A 106 -1.423 2.105 -11.458 1.00 45.11 H new ATOM 0 HG23 VAL A 106 -2.702 3.186 -10.857 1.00 45.11 H new ATOM 1769 N ARG A 107 -4.201 1.769 -7.652 1.00 51.41 N ATOM 1770 CA ARG A 107 -5.592 2.206 -7.487 1.00 75.52 C ATOM 1771 C ARG A 107 -5.623 3.685 -7.126 1.00 42.32 C ATOM 1772 O ARG A 107 -5.195 4.079 -6.043 1.00 14.25 O ATOM 1773 CB ARG A 107 -6.339 1.367 -6.422 1.00 52.21 C ATOM 1774 CG ARG A 107 -6.613 -0.078 -6.847 1.00 62.54 C ATOM 1775 CD ARG A 107 -7.496 -0.830 -5.845 1.00 44.23 C ATOM 1776 NE ARG A 107 -8.834 -0.219 -5.707 1.00 31.22 N ATOM 1777 CZ ARG A 107 -9.915 -0.809 -5.157 1.00 12.01 C ATOM 1778 NH1 ARG A 107 -9.859 -2.050 -4.676 1.00 54.12 N ATOM 1779 NH2 ARG A 107 -11.063 -0.150 -5.100 1.00 34.11 N ATOM 0 H ARG A 107 -3.718 1.578 -6.774 1.00 51.41 H new ATOM 0 HA ARG A 107 -6.110 2.053 -8.434 1.00 75.52 H new ATOM 0 HB2 ARG A 107 -5.752 1.360 -5.503 1.00 52.21 H new ATOM 0 HB3 ARG A 107 -7.287 1.853 -6.191 1.00 52.21 H new ATOM 0 HG2 ARG A 107 -7.096 -0.080 -7.824 1.00 62.54 H new ATOM 0 HG3 ARG A 107 -5.666 -0.606 -6.959 1.00 62.54 H new ATOM 0 HD2 ARG A 107 -7.604 -1.866 -6.165 1.00 44.23 H new ATOM 0 HD3 ARG A 107 -7.005 -0.847 -4.872 1.00 44.23 H new ATOM 0 HE ARG A 107 -8.950 0.732 -6.058 1.00 31.22 H new ATOM 0 HH11 ARG A 107 -8.985 -2.575 -4.719 1.00 54.12 H new ATOM 0 HH12 ARG A 107 -10.690 -2.475 -4.265 1.00 54.12 H new ATOM 0 HH21 ARG A 107 -11.126 0.798 -5.471 1.00 34.11 H new ATOM 0 HH22 ARG A 107 -11.884 -0.591 -4.685 1.00 34.11 H new ATOM 1793 N VAL A 108 -6.138 4.492 -8.050 1.00 0.32 N ATOM 1794 CA VAL A 108 -6.316 5.937 -7.826 1.00 23.44 C ATOM 1795 C VAL A 108 -7.653 6.139 -7.109 1.00 21.10 C ATOM 1796 O VAL A 108 -8.724 5.839 -7.655 1.00 72.24 O ATOM 1797 CB VAL A 108 -6.229 6.793 -9.163 1.00 71.31 C ATOM 1798 CG1 VAL A 108 -4.762 6.932 -9.615 1.00 32.51 C ATOM 1799 CG2 VAL A 108 -7.098 6.200 -10.303 1.00 1.40 C ATOM 0 H VAL A 108 -6.443 4.173 -8.970 1.00 0.32 H new ATOM 0 HA VAL A 108 -5.495 6.302 -7.209 1.00 23.44 H new ATOM 0 HB VAL A 108 -6.630 7.782 -8.940 1.00 71.31 H new ATOM 0 HG11 VAL A 108 -4.718 7.520 -10.532 1.00 32.51 H new ATOM 0 HG12 VAL A 108 -4.187 7.431 -8.835 1.00 32.51 H new ATOM 0 HG13 VAL A 108 -4.342 5.943 -9.798 1.00 32.51 H new ATOM 0 HG21 VAL A 108 -7.003 6.821 -11.193 1.00 1.40 H new ATOM 0 HG22 VAL A 108 -6.761 5.188 -10.529 1.00 1.40 H new ATOM 0 HG23 VAL A 108 -8.141 6.173 -9.989 1.00 1.40 H new ATOM 1809 N THR A 109 -7.561 6.579 -5.853 1.00 72.14 N ATOM 1810 CA THR A 109 -8.722 6.777 -4.982 1.00 63.23 C ATOM 1811 C THR A 109 -9.227 8.229 -5.094 1.00 41.11 C ATOM 1812 O THR A 109 -10.424 8.478 -4.922 1.00 62.42 O ATOM 1813 CB THR A 109 -8.382 6.413 -3.496 1.00 22.30 C ATOM 1814 OG1 THR A 109 -9.552 6.514 -2.682 1.00 25.10 O ATOM 1815 CG2 THR A 109 -7.276 7.295 -2.899 1.00 11.14 C ATOM 0 H THR A 109 -6.673 6.810 -5.408 1.00 72.14 H new ATOM 0 HA THR A 109 -9.517 6.107 -5.309 1.00 63.23 H new ATOM 0 HB THR A 109 -8.013 5.387 -3.508 1.00 22.30 H new ATOM 0 HG1 THR A 109 -9.403 7.177 -1.976 1.00 25.10 H new ATOM 0 HG21 THR A 109 -7.087 6.994 -1.869 1.00 11.14 H new ATOM 0 HG22 THR A 109 -6.364 7.180 -3.484 1.00 11.14 H new ATOM 0 HG23 THR A 109 -7.592 8.338 -2.920 1.00 11.14 H new ATOM 1823 N ASP A 110 -8.284 9.164 -5.391 1.00 44.04 N ATOM 1824 CA ASP A 110 -8.548 10.606 -5.627 1.00 40.41 C ATOM 1825 C ASP A 110 -8.958 11.334 -4.317 1.00 43.22 C ATOM 1826 O ASP A 110 -8.201 12.163 -3.795 1.00 73.35 O ATOM 1827 CB ASP A 110 -9.598 10.795 -6.763 1.00 4.31 C ATOM 1828 CG ASP A 110 -9.785 12.253 -7.224 1.00 4.43 C ATOM 1829 OD1 ASP A 110 -10.613 12.985 -6.631 1.00 22.15 O ATOM 1830 OD2 ASP A 110 -9.133 12.667 -8.209 1.00 62.23 O ATOM 0 H ASP A 110 -7.295 8.927 -5.474 1.00 44.04 H new ATOM 0 HA ASP A 110 -7.620 11.071 -5.960 1.00 40.41 H new ATOM 0 HB2 ASP A 110 -9.300 10.192 -7.620 1.00 4.31 H new ATOM 0 HB3 ASP A 110 -10.558 10.409 -6.421 1.00 4.31 H new ATOM 1835 N ASN A 111 -10.152 10.998 -3.799 1.00 54.23 N ATOM 1836 CA ASN A 111 -10.725 11.588 -2.569 1.00 50.31 C ATOM 1837 C ASN A 111 -10.279 10.852 -1.291 1.00 52.33 C ATOM 1838 O ASN A 111 -9.865 9.683 -1.330 1.00 34.44 O ATOM 1839 CB ASN A 111 -12.277 11.576 -2.659 1.00 13.42 C ATOM 1840 CG ASN A 111 -12.840 12.406 -3.818 1.00 45.24 C ATOM 1841 OD1 ASN A 111 -13.847 12.042 -4.433 1.00 32.41 O ATOM 1842 ND2 ASN A 111 -12.234 13.554 -4.098 1.00 23.51 N ATOM 0 H ASN A 111 -10.758 10.298 -4.227 1.00 54.23 H new ATOM 0 HA ASN A 111 -10.353 12.610 -2.500 1.00 50.31 H new ATOM 0 HB2 ASN A 111 -12.617 10.546 -2.765 1.00 13.42 H new ATOM 0 HB3 ASN A 111 -12.688 11.953 -1.722 1.00 13.42 H new ATOM 0 HD21 ASN A 111 -12.599 14.157 -4.835 1.00 23.51 H new ATOM 0 HD22 ASN A 111 -11.403 13.833 -3.576 1.00 23.51 H new ATOM 1849 N GLU A 112 -10.436 11.567 -0.164 1.00 34.51 N ATOM 1850 CA GLU A 112 -10.082 11.099 1.196 1.00 41.12 C ATOM 1851 C GLU A 112 -11.121 10.081 1.709 1.00 21.03 C ATOM 1852 O GLU A 112 -10.779 9.031 2.273 1.00 3.22 O ATOM 1853 CB GLU A 112 -10.055 12.317 2.155 1.00 23.45 C ATOM 1854 CG GLU A 112 -9.160 13.485 1.694 1.00 61.40 C ATOM 1855 CD GLU A 112 -9.434 14.776 2.486 1.00 32.44 C ATOM 1856 OE1 GLU A 112 -9.145 14.819 3.698 1.00 5.01 O ATOM 1857 OE2 GLU A 112 -9.972 15.746 1.904 1.00 31.44 O ATOM 0 H GLU A 112 -10.822 12.511 -0.169 1.00 34.51 H new ATOM 0 HA GLU A 112 -9.105 10.617 1.160 1.00 41.12 H new ATOM 0 HB2 GLU A 112 -11.073 12.686 2.280 1.00 23.45 H new ATOM 0 HB3 GLU A 112 -9.715 11.982 3.135 1.00 23.45 H new ATOM 0 HG2 GLU A 112 -8.113 13.205 1.810 1.00 61.40 H new ATOM 0 HG3 GLU A 112 -9.325 13.670 0.633 1.00 61.40 H new ATOM 1864 N ASP A 113 -12.403 10.440 1.507 1.00 74.42 N ATOM 1865 CA ASP A 113 -13.565 9.649 1.932 1.00 60.34 C ATOM 1866 C ASP A 113 -13.680 8.362 1.100 1.00 43.14 C ATOM 1867 O ASP A 113 -14.193 7.358 1.579 1.00 65.41 O ATOM 1868 CB ASP A 113 -14.860 10.504 1.840 1.00 73.20 C ATOM 1869 CG ASP A 113 -16.105 9.791 2.409 1.00 64.32 C ATOM 1870 OD1 ASP A 113 -16.121 9.493 3.624 1.00 13.40 O ATOM 1871 OD2 ASP A 113 -17.064 9.513 1.650 1.00 2.51 O ATOM 0 H ASP A 113 -12.661 11.306 1.034 1.00 74.42 H new ATOM 0 HA ASP A 113 -13.429 9.355 2.973 1.00 60.34 H new ATOM 0 HB2 ASP A 113 -14.708 11.440 2.378 1.00 73.20 H new ATOM 0 HB3 ASP A 113 -15.043 10.762 0.797 1.00 73.20 H new ATOM 1876 N GLU A 114 -13.212 8.414 -0.157 1.00 75.30 N ATOM 1877 CA GLU A 114 -13.124 7.229 -1.029 1.00 50.22 C ATOM 1878 C GLU A 114 -12.055 6.248 -0.496 1.00 53.24 C ATOM 1879 O GLU A 114 -12.230 5.023 -0.545 1.00 35.52 O ATOM 1880 CB GLU A 114 -12.753 7.660 -2.469 1.00 53.45 C ATOM 1881 CG GLU A 114 -12.799 6.527 -3.524 1.00 71.52 C ATOM 1882 CD GLU A 114 -14.231 6.093 -3.885 1.00 25.24 C ATOM 1883 OE1 GLU A 114 -14.861 6.770 -4.734 1.00 51.11 O ATOM 1884 OE2 GLU A 114 -14.736 5.091 -3.326 1.00 75.45 O ATOM 0 H GLU A 114 -12.885 9.274 -0.597 1.00 75.30 H new ATOM 0 HA GLU A 114 -14.094 6.731 -1.036 1.00 50.22 H new ATOM 0 HB2 GLU A 114 -13.432 8.454 -2.781 1.00 53.45 H new ATOM 0 HB3 GLU A 114 -11.749 8.085 -2.458 1.00 53.45 H new ATOM 0 HG2 GLU A 114 -12.288 6.860 -4.428 1.00 71.52 H new ATOM 0 HG3 GLU A 114 -12.249 5.665 -3.146 1.00 71.52 H new ATOM 1891 N ALA A 115 -10.960 6.828 0.025 1.00 42.23 N ATOM 1892 CA ALA A 115 -9.766 6.085 0.454 1.00 53.54 C ATOM 1893 C ALA A 115 -10.057 5.117 1.621 1.00 50.13 C ATOM 1894 O ALA A 115 -9.501 4.023 1.680 1.00 72.41 O ATOM 1895 CB ALA A 115 -8.653 7.076 0.809 1.00 30.31 C ATOM 0 H ALA A 115 -10.880 7.836 0.161 1.00 42.23 H new ATOM 0 HA ALA A 115 -9.439 5.459 -0.376 1.00 53.54 H new ATOM 0 HB1 ALA A 115 -7.766 6.528 1.128 1.00 30.31 H new ATOM 0 HB2 ALA A 115 -8.412 7.681 -0.065 1.00 30.31 H new ATOM 0 HB3 ALA A 115 -8.988 7.725 1.618 1.00 30.31 H new ATOM 1901 N LYS A 116 -10.924 5.528 2.541 1.00 11.13 N ATOM 1902 CA LYS A 116 -11.333 4.684 3.679 1.00 71.33 C ATOM 1903 C LYS A 116 -12.298 3.544 3.243 1.00 11.13 C ATOM 1904 O LYS A 116 -12.231 2.439 3.791 1.00 64.34 O ATOM 1905 CB LYS A 116 -11.928 5.579 4.792 1.00 23.41 C ATOM 1906 CG LYS A 116 -13.157 6.413 4.367 1.00 31.41 C ATOM 1907 CD LYS A 116 -13.399 7.655 5.254 1.00 75.01 C ATOM 1908 CE LYS A 116 -13.569 7.330 6.741 1.00 55.50 C ATOM 1909 NZ LYS A 116 -13.697 8.573 7.551 1.00 63.23 N ATOM 0 H LYS A 116 -11.365 6.448 2.527 1.00 11.13 H new ATOM 0 HA LYS A 116 -10.454 4.179 4.081 1.00 71.33 H new ATOM 0 HB2 LYS A 116 -12.209 4.947 5.635 1.00 23.41 H new ATOM 0 HB3 LYS A 116 -11.152 6.257 5.147 1.00 23.41 H new ATOM 0 HG2 LYS A 116 -13.028 6.735 3.334 1.00 31.41 H new ATOM 0 HG3 LYS A 116 -14.043 5.779 4.395 1.00 31.41 H new ATOM 0 HD2 LYS A 116 -12.562 8.343 5.136 1.00 75.01 H new ATOM 0 HD3 LYS A 116 -14.290 8.174 4.901 1.00 75.01 H new ATOM 0 HE2 LYS A 116 -14.453 6.708 6.882 1.00 55.50 H new ATOM 0 HE3 LYS A 116 -12.714 6.751 7.090 1.00 55.50 H new ATOM 0 HZ1 LYS A 116 -13.329 8.403 8.509 1.00 63.23 H new ATOM 0 HZ2 LYS A 116 -13.154 9.338 7.102 1.00 63.23 H new ATOM 0 HZ3 LYS A 116 -14.698 8.848 7.609 1.00 63.23 H new ATOM 1923 N LYS A 117 -13.158 3.811 2.228 1.00 23.11 N ATOM 1924 CA LYS A 117 -14.140 2.817 1.707 1.00 21.53 C ATOM 1925 C LYS A 117 -13.416 1.582 1.137 1.00 34.52 C ATOM 1926 O LYS A 117 -13.667 0.438 1.548 1.00 55.34 O ATOM 1927 CB LYS A 117 -15.012 3.425 0.570 1.00 51.13 C ATOM 1928 CG LYS A 117 -15.772 4.714 0.922 1.00 41.44 C ATOM 1929 CD LYS A 117 -16.646 5.216 -0.256 1.00 31.15 C ATOM 1930 CE LYS A 117 -17.193 6.632 -0.033 1.00 34.03 C ATOM 1931 NZ LYS A 117 -17.980 6.745 1.221 1.00 13.30 N ATOM 0 H LYS A 117 -13.193 4.711 1.749 1.00 23.11 H new ATOM 0 HA LYS A 117 -14.775 2.531 2.546 1.00 21.53 H new ATOM 0 HB2 LYS A 117 -14.368 3.628 -0.286 1.00 51.13 H new ATOM 0 HB3 LYS A 117 -15.736 2.674 0.253 1.00 51.13 H new ATOM 0 HG2 LYS A 117 -16.404 4.535 1.792 1.00 41.44 H new ATOM 0 HG3 LYS A 117 -15.059 5.490 1.200 1.00 41.44 H new ATOM 0 HD2 LYS A 117 -16.056 5.200 -1.172 1.00 31.15 H new ATOM 0 HD3 LYS A 117 -17.479 4.529 -0.402 1.00 31.15 H new ATOM 0 HE2 LYS A 117 -16.363 7.338 -0.003 1.00 34.03 H new ATOM 0 HE3 LYS A 117 -17.820 6.913 -0.879 1.00 34.03 H new ATOM 0 HZ1 LYS A 117 -18.988 6.600 1.012 1.00 13.30 H new ATOM 0 HZ2 LYS A 117 -17.660 6.023 1.898 1.00 13.30 H new ATOM 0 HZ3 LYS A 117 -17.844 7.690 1.632 1.00 13.30 H new ATOM 1945 N ARG A 118 -12.486 1.872 0.207 1.00 44.50 N ATOM 1946 CA ARG A 118 -11.765 0.867 -0.590 1.00 53.03 C ATOM 1947 C ARG A 118 -10.886 -0.049 0.288 1.00 51.21 C ATOM 1948 O ARG A 118 -10.633 -1.176 -0.095 1.00 11.13 O ATOM 1949 CB ARG A 118 -10.934 1.584 -1.703 1.00 3.21 C ATOM 1950 CG ARG A 118 -9.829 2.546 -1.184 1.00 51.12 C ATOM 1951 CD ARG A 118 -8.443 1.869 -1.004 1.00 32.51 C ATOM 1952 NE ARG A 118 -7.594 2.509 0.017 1.00 41.14 N ATOM 1953 CZ ARG A 118 -7.018 3.724 -0.035 1.00 44.02 C ATOM 1954 NH1 ARG A 118 -7.143 4.524 -1.081 1.00 61.25 N ATOM 1955 NH2 ARG A 118 -6.343 4.162 1.013 1.00 51.32 N ATOM 0 H ARG A 118 -12.211 2.829 -0.014 1.00 44.50 H new ATOM 0 HA ARG A 118 -12.495 0.212 -1.066 1.00 53.03 H new ATOM 0 HB2 ARG A 118 -10.468 0.826 -2.332 1.00 3.21 H new ATOM 0 HB3 ARG A 118 -11.617 2.149 -2.338 1.00 3.21 H new ATOM 0 HG2 ARG A 118 -9.729 3.379 -1.880 1.00 51.12 H new ATOM 0 HG3 ARG A 118 -10.145 2.966 -0.229 1.00 51.12 H new ATOM 0 HD2 ARG A 118 -8.592 0.823 -0.735 1.00 32.51 H new ATOM 0 HD3 ARG A 118 -7.917 1.880 -1.959 1.00 32.51 H new ATOM 0 HE ARG A 118 -7.423 1.966 0.864 1.00 41.14 H new ATOM 0 HH11 ARG A 118 -7.692 4.227 -1.888 1.00 61.25 H new ATOM 0 HH12 ARG A 118 -6.690 5.438 -1.081 1.00 61.25 H new ATOM 0 HH21 ARG A 118 -6.264 3.581 1.848 1.00 51.32 H new ATOM 0 HH22 ARG A 118 -5.901 5.081 0.987 1.00 51.32 H new ATOM 1969 N LEU A 119 -10.421 0.466 1.451 1.00 64.02 N ATOM 1970 CA LEU A 119 -9.566 -0.290 2.398 1.00 1.11 C ATOM 1971 C LEU A 119 -10.286 -1.516 2.939 1.00 61.53 C ATOM 1972 O LEU A 119 -9.783 -2.640 2.849 1.00 20.33 O ATOM 1973 CB LEU A 119 -9.132 0.619 3.575 1.00 12.13 C ATOM 1974 CG LEU A 119 -8.012 1.626 3.244 1.00 12.12 C ATOM 1975 CD1 LEU A 119 -7.804 2.620 4.384 1.00 61.54 C ATOM 1976 CD2 LEU A 119 -6.712 0.877 2.897 1.00 31.43 C ATOM 0 H LEU A 119 -10.628 1.416 1.759 1.00 64.02 H new ATOM 0 HA LEU A 119 -8.684 -0.623 1.851 1.00 1.11 H new ATOM 0 HB2 LEU A 119 -10.003 1.171 3.928 1.00 12.13 H new ATOM 0 HB3 LEU A 119 -8.800 -0.013 4.399 1.00 12.13 H new ATOM 0 HG LEU A 119 -8.313 2.205 2.371 1.00 12.12 H new ATOM 0 HD11 LEU A 119 -7.008 3.316 4.119 1.00 61.54 H new ATOM 0 HD12 LEU A 119 -8.727 3.173 4.557 1.00 61.54 H new ATOM 0 HD13 LEU A 119 -7.528 2.081 5.291 1.00 61.54 H new ATOM 0 HD21 LEU A 119 -5.928 1.598 2.665 1.00 31.43 H new ATOM 0 HD22 LEU A 119 -6.405 0.268 3.747 1.00 31.43 H new ATOM 0 HD23 LEU A 119 -6.882 0.235 2.033 1.00 31.43 H new ATOM 1988 N LYS A 120 -11.480 -1.272 3.491 1.00 45.34 N ATOM 1989 CA LYS A 120 -12.336 -2.327 4.033 1.00 4.10 C ATOM 1990 C LYS A 120 -12.750 -3.291 2.899 1.00 13.44 C ATOM 1991 O LYS A 120 -12.743 -4.504 3.074 1.00 73.12 O ATOM 1992 CB LYS A 120 -13.582 -1.702 4.700 1.00 14.45 C ATOM 1993 CG LYS A 120 -14.535 -2.736 5.346 1.00 4.21 C ATOM 1994 CD LYS A 120 -15.925 -2.154 5.674 1.00 73.11 C ATOM 1995 CE LYS A 120 -16.684 -1.691 4.418 1.00 2.13 C ATOM 1996 NZ LYS A 120 -17.997 -1.084 4.764 1.00 31.31 N ATOM 0 H LYS A 120 -11.878 -0.336 3.573 1.00 45.34 H new ATOM 0 HA LYS A 120 -11.787 -2.890 4.788 1.00 4.10 H new ATOM 0 HB2 LYS A 120 -13.257 -0.996 5.464 1.00 14.45 H new ATOM 0 HB3 LYS A 120 -14.134 -1.132 3.953 1.00 14.45 H new ATOM 0 HG2 LYS A 120 -14.653 -3.584 4.671 1.00 4.21 H new ATOM 0 HG3 LYS A 120 -14.082 -3.117 6.261 1.00 4.21 H new ATOM 0 HD2 LYS A 120 -16.517 -2.907 6.194 1.00 73.11 H new ATOM 0 HD3 LYS A 120 -15.810 -1.311 6.356 1.00 73.11 H new ATOM 0 HE2 LYS A 120 -16.079 -0.966 3.874 1.00 2.13 H new ATOM 0 HE3 LYS A 120 -16.839 -2.540 3.752 1.00 2.13 H new ATOM 0 HZ1 LYS A 120 -18.481 -0.784 3.894 1.00 31.31 H new ATOM 0 HZ2 LYS A 120 -18.583 -1.784 5.262 1.00 31.31 H new ATOM 0 HZ3 LYS A 120 -17.847 -0.259 5.379 1.00 31.31 H new ATOM 2010 N GLU A 121 -13.040 -2.697 1.722 1.00 33.44 N ATOM 2011 CA GLU A 121 -13.445 -3.413 0.497 1.00 31.40 C ATOM 2012 C GLU A 121 -12.358 -4.418 0.046 1.00 22.21 C ATOM 2013 O GLU A 121 -12.681 -5.537 -0.381 1.00 54.44 O ATOM 2014 CB GLU A 121 -13.782 -2.358 -0.599 1.00 74.12 C ATOM 2015 CG GLU A 121 -14.207 -2.905 -1.994 1.00 44.42 C ATOM 2016 CD GLU A 121 -13.044 -3.064 -2.997 1.00 52.13 C ATOM 2017 OE1 GLU A 121 -12.507 -2.035 -3.450 1.00 63.01 O ATOM 2018 OE2 GLU A 121 -12.674 -4.209 -3.336 1.00 22.23 O ATOM 0 H GLU A 121 -12.998 -1.686 1.596 1.00 33.44 H new ATOM 0 HA GLU A 121 -14.334 -4.013 0.690 1.00 31.40 H new ATOM 0 HB2 GLU A 121 -14.585 -1.723 -0.224 1.00 74.12 H new ATOM 0 HB3 GLU A 121 -12.909 -1.720 -0.736 1.00 74.12 H new ATOM 0 HG2 GLU A 121 -14.690 -3.873 -1.860 1.00 44.42 H new ATOM 0 HG3 GLU A 121 -14.951 -2.234 -2.423 1.00 44.42 H new ATOM 2025 N LEU A 122 -11.076 -4.009 0.186 1.00 40.04 N ATOM 2026 CA LEU A 122 -9.913 -4.877 -0.090 1.00 51.51 C ATOM 2027 C LEU A 122 -9.917 -6.068 0.870 1.00 34.34 C ATOM 2028 O LEU A 122 -9.886 -7.195 0.438 1.00 65.53 O ATOM 2029 CB LEU A 122 -8.578 -4.097 0.084 1.00 53.11 C ATOM 2030 CG LEU A 122 -8.287 -2.980 -0.955 1.00 74.13 C ATOM 2031 CD1 LEU A 122 -7.123 -2.096 -0.493 1.00 43.22 C ATOM 2032 CD2 LEU A 122 -8.022 -3.562 -2.353 1.00 15.32 C ATOM 0 H LEU A 122 -10.821 -3.070 0.493 1.00 40.04 H new ATOM 0 HA LEU A 122 -9.989 -5.222 -1.121 1.00 51.51 H new ATOM 0 HB2 LEU A 122 -8.572 -3.649 1.077 1.00 53.11 H new ATOM 0 HB3 LEU A 122 -7.758 -4.814 0.053 1.00 53.11 H new ATOM 0 HG LEU A 122 -9.178 -2.356 -1.028 1.00 74.13 H new ATOM 0 HD11 LEU A 122 -6.937 -1.321 -1.237 1.00 43.22 H new ATOM 0 HD12 LEU A 122 -7.375 -1.631 0.460 1.00 43.22 H new ATOM 0 HD13 LEU A 122 -6.228 -2.706 -0.374 1.00 43.22 H new ATOM 0 HD21 LEU A 122 -7.822 -2.751 -3.053 1.00 15.32 H new ATOM 0 HD22 LEU A 122 -7.159 -4.227 -2.313 1.00 15.32 H new ATOM 0 HD23 LEU A 122 -8.896 -4.122 -2.686 1.00 15.32 H new ATOM 2044 N LEU A 123 -10.010 -5.765 2.178 1.00 0.01 N ATOM 2045 CA LEU A 123 -9.895 -6.755 3.279 1.00 53.43 C ATOM 2046 C LEU A 123 -11.006 -7.824 3.225 1.00 43.11 C ATOM 2047 O LEU A 123 -10.753 -8.996 3.529 1.00 41.23 O ATOM 2048 CB LEU A 123 -9.895 -6.012 4.649 1.00 35.44 C ATOM 2049 CG LEU A 123 -8.508 -5.499 5.178 1.00 60.31 C ATOM 2050 CD1 LEU A 123 -7.683 -4.726 4.122 1.00 74.12 C ATOM 2051 CD2 LEU A 123 -8.725 -4.643 6.431 1.00 54.14 C ATOM 0 H LEU A 123 -10.169 -4.814 2.510 1.00 0.01 H new ATOM 0 HA LEU A 123 -8.952 -7.288 3.158 1.00 53.43 H new ATOM 0 HB2 LEU A 123 -10.566 -5.157 4.571 1.00 35.44 H new ATOM 0 HB3 LEU A 123 -10.318 -6.681 5.398 1.00 35.44 H new ATOM 0 HG LEU A 123 -7.916 -6.381 5.422 1.00 60.31 H new ATOM 0 HD11 LEU A 123 -6.739 -4.404 4.562 1.00 74.12 H new ATOM 0 HD12 LEU A 123 -7.483 -5.375 3.270 1.00 74.12 H new ATOM 0 HD13 LEU A 123 -8.245 -3.853 3.789 1.00 74.12 H new ATOM 0 HD21 LEU A 123 -7.763 -4.286 6.799 1.00 54.14 H new ATOM 0 HD22 LEU A 123 -9.358 -3.790 6.184 1.00 54.14 H new ATOM 0 HD23 LEU A 123 -9.209 -5.243 7.202 1.00 54.14 H new ATOM 2063 N GLU A 124 -12.217 -7.406 2.823 1.00 33.41 N ATOM 2064 CA GLU A 124 -13.373 -8.311 2.663 1.00 44.33 C ATOM 2065 C GLU A 124 -13.130 -9.321 1.517 1.00 70.54 C ATOM 2066 O GLU A 124 -13.591 -10.461 1.573 1.00 31.10 O ATOM 2067 CB GLU A 124 -14.665 -7.483 2.424 1.00 22.03 C ATOM 2068 CG GLU A 124 -15.087 -6.609 3.630 1.00 45.23 C ATOM 2069 CD GLU A 124 -16.275 -5.679 3.326 1.00 32.22 C ATOM 2070 OE1 GLU A 124 -16.075 -4.666 2.617 1.00 3.44 O ATOM 2071 OE2 GLU A 124 -17.412 -5.957 3.778 1.00 14.21 O ATOM 0 H GLU A 124 -12.425 -6.433 2.599 1.00 33.41 H new ATOM 0 HA GLU A 124 -13.499 -8.886 3.580 1.00 44.33 H new ATOM 0 HB2 GLU A 124 -14.516 -6.839 1.557 1.00 22.03 H new ATOM 0 HB3 GLU A 124 -15.480 -8.164 2.179 1.00 22.03 H new ATOM 0 HG2 GLU A 124 -15.348 -7.258 4.466 1.00 45.23 H new ATOM 0 HG3 GLU A 124 -14.236 -6.007 3.948 1.00 45.23 H new ATOM 2078 N LYS A 125 -12.377 -8.882 0.494 1.00 11.35 N ATOM 2079 CA LYS A 125 -12.001 -9.714 -0.674 1.00 51.02 C ATOM 2080 C LYS A 125 -10.518 -10.171 -0.572 1.00 23.52 C ATOM 2081 O LYS A 125 -10.000 -10.813 -1.486 1.00 62.04 O ATOM 2082 CB LYS A 125 -12.239 -8.885 -1.972 1.00 2.32 C ATOM 2083 CG LYS A 125 -13.672 -8.304 -2.101 1.00 34.21 C ATOM 2084 CD LYS A 125 -13.832 -7.388 -3.331 1.00 3.40 C ATOM 2085 CE LYS A 125 -15.168 -6.633 -3.357 1.00 34.00 C ATOM 2086 NZ LYS A 125 -15.189 -5.617 -4.445 1.00 45.11 N ATOM 0 H LYS A 125 -12.007 -7.933 0.449 1.00 11.35 H new ATOM 0 HA LYS A 125 -12.617 -10.613 -0.697 1.00 51.02 H new ATOM 0 HB2 LYS A 125 -11.522 -8.064 -2.002 1.00 2.32 H new ATOM 0 HB3 LYS A 125 -12.036 -9.518 -2.836 1.00 2.32 H new ATOM 0 HG2 LYS A 125 -14.388 -9.123 -2.167 1.00 34.21 H new ATOM 0 HG3 LYS A 125 -13.914 -7.741 -1.200 1.00 34.21 H new ATOM 0 HD2 LYS A 125 -13.015 -6.667 -3.347 1.00 3.40 H new ATOM 0 HD3 LYS A 125 -13.745 -7.989 -4.236 1.00 3.40 H new ATOM 0 HE2 LYS A 125 -15.986 -7.340 -3.499 1.00 34.00 H new ATOM 0 HE3 LYS A 125 -15.332 -6.145 -2.396 1.00 34.00 H new ATOM 0 HZ1 LYS A 125 -16.090 -5.098 -4.418 1.00 45.11 H new ATOM 0 HZ2 LYS A 125 -14.402 -4.950 -4.313 1.00 45.11 H new ATOM 0 HZ3 LYS A 125 -15.090 -6.092 -5.365 1.00 45.11 H new ATOM 2100 N VAL A 126 -9.849 -9.793 0.557 1.00 51.13 N ATOM 2101 CA VAL A 126 -8.416 -10.082 0.868 1.00 13.23 C ATOM 2102 C VAL A 126 -7.423 -9.459 -0.188 1.00 12.14 C ATOM 2103 O VAL A 126 -6.211 -9.726 -0.176 1.00 40.25 O ATOM 2104 CB VAL A 126 -8.189 -11.641 1.124 1.00 30.23 C ATOM 2105 CG1 VAL A 126 -6.795 -11.957 1.716 1.00 62.42 C ATOM 2106 CG2 VAL A 126 -9.298 -12.216 2.057 1.00 21.03 C ATOM 0 H VAL A 126 -10.307 -9.262 1.298 1.00 51.13 H new ATOM 0 HA VAL A 126 -8.172 -9.576 1.802 1.00 13.23 H new ATOM 0 HB VAL A 126 -8.246 -12.121 0.147 1.00 30.23 H new ATOM 0 HG11 VAL A 126 -6.700 -13.032 1.868 1.00 62.42 H new ATOM 0 HG12 VAL A 126 -6.022 -11.618 1.027 1.00 62.42 H new ATOM 0 HG13 VAL A 126 -6.680 -11.444 2.671 1.00 62.42 H new ATOM 0 HG21 VAL A 126 -9.123 -13.280 2.217 1.00 21.03 H new ATOM 0 HG22 VAL A 126 -9.274 -11.696 3.015 1.00 21.03 H new ATOM 0 HG23 VAL A 126 -10.274 -12.075 1.592 1.00 21.03 H new ATOM 2116 N GLY A 127 -7.944 -8.544 -1.040 1.00 14.42 N ATOM 2117 CA GLY A 127 -7.154 -7.830 -2.052 1.00 10.04 C ATOM 2118 C GLY A 127 -7.893 -7.744 -3.394 1.00 24.22 C ATOM 2119 O GLY A 127 -8.402 -8.762 -3.875 1.00 62.04 O ATOM 0 H GLY A 127 -8.930 -8.284 -1.038 1.00 14.42 H new ATOM 0 HA2 GLY A 127 -6.930 -6.825 -1.695 1.00 10.04 H new ATOM 0 HA3 GLY A 127 -6.200 -8.338 -2.194 1.00 10.04 H new