USER MOD reduce.3.24.130724 H: found=0, std=0, add=1138, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1135 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 131 HIS : no HD1:sc= 0.173 K(o=0.34,f=-5!) USER MOD Set 1.2: A 133 HIS : no HE2:sc= 0.171 K(o=0.34,f=-2.1) USER MOD Set 2.1: A 126 SER OG : rot -3:sc= 0.527 USER MOD Set 2.2: A 128 SER OG : rot 85:sc= 0.201 USER MOD Single : A 1 MET CE :methyl -131:sc= -0.0251 (180deg=-0.689) USER MOD Single : A 1 MET N :NH3+ -123:sc= 0.0882 (180deg=-0.00888) USER MOD Single : A 9 THR OG1 : rot 27:sc= -0.401 USER MOD Single : A 20 LYS NZ :NH3+ -154:sc= 0.713 (180deg=0.364) USER MOD Single : A 23 GLN : amide:sc= -1.19 K(o=-1.2,f=-0.14) USER MOD Single : A 24 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00295) USER MOD Single : A 25 HIS : no HD1:sc= -1.72 X(o=-1.7,f=-1.3) USER MOD Single : A 28 ASN : amide:sc= -0.182 X(o=-0.18,f=-0.02) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 43:sc= 0.138 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -101:sc= 0.407 (180deg=-0.506) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0.245 (180deg=0.245) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 165:sc= 0.637 (180deg=0.518) USER MOD Single : A 49 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0151) USER MOD Single : A 50 GLN : amide:sc= -0.356 X(o=-0.36,f=-0.011) USER MOD Single : A 67 LYS NZ :NH3+ 174:sc= 0.215 (180deg=0.202) USER MOD Single : A 72 TYR OH : rot 30:sc= 0 USER MOD Single : A 74 GLN : amide:sc= 0.391 X(o=0.39,f=0) USER MOD Single : A 75 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0632) USER MOD Single : A 86 SER OG : rot -140:sc= 0 USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 LYS NZ :NH3+ 171:sc= -0.0283 (180deg=-0.207) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 146:sc= 0.374 (180deg=-0.142) USER MOD Single : A 100 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0381) USER MOD Single : A 101 LYS NZ :NH3+ 165:sc= -0.575 (180deg=-0.67) USER MOD Single : A 102 LYS NZ :NH3+ 177:sc= 0.695 (180deg=0.675) USER MOD Single : A 104 TYR OH : rot -130:sc= -1.2 USER MOD Single : A 107 TYR OH : rot 30:sc= -0.103 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 130:sc= -2.32! USER MOD Single : A 111 ASN : amide:sc= 0.298 K(o=0.3,f=-2.2!) USER MOD Single : A 116 LYS NZ :NH3+ 148:sc= -1.66 (180deg=-3.49!) USER MOD Single : A 117 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00559) USER MOD Single : A 118 LYS NZ :NH3+ -169:sc= 0.145 (180deg=0.075) USER MOD Single : A 120 LYS NZ :NH3+ -174:sc= 1.23 (180deg=1.19) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 HIS : no HD1:sc= -0.569 X(o=-0.57,f=-0.94) USER MOD Single : A 134 HIS : no HD1:sc= -0.197 X(o=-0.2,f=0.033) USER MOD Single : A 135 HIS : no HD1:sc=-4.28e-05 X(o=-4.3e-05,f=0) USER MOD Single : A 136 HIS : no HD1:sc=-0.00903 K(o=-0.009,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.576 0.718 16.006 1.00 73.13 N ATOM 2 CA MET A 1 4.287 -0.578 15.344 1.00 61.10 C ATOM 3 C MET A 1 4.897 -0.589 13.939 1.00 3.24 C ATOM 4 O MET A 1 5.305 0.458 13.419 1.00 14.31 O ATOM 5 CB MET A 1 2.746 -0.827 15.244 1.00 10.33 C ATOM 6 CG MET A 1 2.012 -0.910 16.592 1.00 23.44 C ATOM 7 SD MET A 1 2.588 -2.283 17.623 1.00 31.35 S ATOM 8 CE MET A 1 2.090 -3.724 16.663 1.00 70.21 C ATOM 0 H1 MET A 1 5.078 0.547 16.901 1.00 73.13 H new ATOM 0 H2 MET A 1 5.170 1.301 15.383 1.00 73.13 H new ATOM 0 H3 MET A 1 3.684 1.216 16.199 1.00 73.13 H new ATOM 0 HA MET A 1 4.728 -1.373 15.945 1.00 61.10 H new ATOM 0 HB2 MET A 1 2.301 -0.026 14.654 1.00 10.33 H new ATOM 0 HB3 MET A 1 2.578 -1.755 14.698 1.00 10.33 H new ATOM 0 HG2 MET A 1 2.149 0.026 17.133 1.00 23.44 H new ATOM 0 HG3 MET A 1 0.943 -1.021 16.412 1.00 23.44 H new ATOM 0 HE1 MET A 1 1.568 -4.429 17.310 1.00 70.21 H new ATOM 0 HE2 MET A 1 1.427 -3.412 15.856 1.00 70.21 H new ATOM 0 HE3 MET A 1 2.974 -4.204 16.242 1.00 70.21 H new ATOM 20 N GLY A 2 4.963 -1.785 13.328 1.00 33.41 N ATOM 21 CA GLY A 2 5.209 -1.906 11.893 1.00 1.02 C ATOM 22 C GLY A 2 4.020 -1.350 11.124 1.00 71.22 C ATOM 23 O GLY A 2 2.898 -1.324 11.652 1.00 3.43 O ATOM 0 H GLY A 2 4.849 -2.676 13.811 1.00 33.41 H new ATOM 0 HA2 GLY A 2 6.116 -1.365 11.622 1.00 1.02 H new ATOM 0 HA3 GLY A 2 5.370 -2.951 11.628 1.00 1.02 H new ATOM 27 N VAL A 3 4.245 -0.862 9.911 1.00 41.13 N ATOM 28 CA VAL A 3 3.196 -0.218 9.103 1.00 25.04 C ATOM 29 C VAL A 3 3.253 -0.783 7.692 1.00 3.21 C ATOM 30 O VAL A 3 4.284 -0.718 7.040 1.00 4.34 O ATOM 31 CB VAL A 3 3.374 1.349 9.096 1.00 43.20 C ATOM 32 CG1 VAL A 3 2.371 2.050 8.148 1.00 5.52 C ATOM 33 CG2 VAL A 3 3.265 1.902 10.534 1.00 34.54 C ATOM 0 H VAL A 3 5.155 -0.897 9.453 1.00 41.13 H new ATOM 0 HA VAL A 3 2.218 -0.427 9.537 1.00 25.04 H new ATOM 0 HB VAL A 3 4.369 1.568 8.709 1.00 43.20 H new ATOM 0 HG11 VAL A 3 2.534 3.127 8.178 1.00 5.52 H new ATOM 0 HG12 VAL A 3 2.519 1.689 7.130 1.00 5.52 H new ATOM 0 HG13 VAL A 3 1.353 1.828 8.467 1.00 5.52 H new ATOM 0 HG21 VAL A 3 3.389 2.985 10.518 1.00 34.54 H new ATOM 0 HG22 VAL A 3 2.286 1.655 10.945 1.00 34.54 H new ATOM 0 HG23 VAL A 3 4.042 1.457 11.155 1.00 34.54 H new ATOM 43 N VAL A 4 2.152 -1.376 7.243 1.00 65.11 N ATOM 44 CA VAL A 4 2.068 -1.994 5.926 1.00 61.44 C ATOM 45 C VAL A 4 1.212 -1.091 5.031 1.00 74.51 C ATOM 46 O VAL A 4 0.000 -0.968 5.228 1.00 65.43 O ATOM 47 CB VAL A 4 1.452 -3.433 6.044 1.00 1.24 C ATOM 48 CG1 VAL A 4 1.420 -4.147 4.682 1.00 33.11 C ATOM 49 CG2 VAL A 4 2.216 -4.264 7.105 1.00 23.32 C ATOM 0 H VAL A 4 1.290 -1.441 7.785 1.00 65.11 H new ATOM 0 HA VAL A 4 3.060 -2.101 5.487 1.00 61.44 H new ATOM 0 HB VAL A 4 0.418 -3.333 6.374 1.00 1.24 H new ATOM 0 HG11 VAL A 4 0.987 -5.140 4.802 1.00 33.11 H new ATOM 0 HG12 VAL A 4 0.815 -3.570 3.983 1.00 33.11 H new ATOM 0 HG13 VAL A 4 2.435 -4.238 4.295 1.00 33.11 H new ATOM 0 HG21 VAL A 4 1.776 -5.259 7.174 1.00 23.32 H new ATOM 0 HG22 VAL A 4 3.263 -4.350 6.815 1.00 23.32 H new ATOM 0 HG23 VAL A 4 2.147 -3.769 8.074 1.00 23.32 H new ATOM 59 N ILE A 5 1.873 -0.454 4.068 1.00 53.23 N ATOM 60 CA ILE A 5 1.243 0.460 3.117 1.00 41.34 C ATOM 61 C ILE A 5 1.063 -0.297 1.794 1.00 11.20 C ATOM 62 O ILE A 5 2.030 -0.535 1.085 1.00 72.24 O ATOM 63 CB ILE A 5 2.155 1.735 2.903 1.00 30.34 C ATOM 64 CG1 ILE A 5 2.510 2.391 4.277 1.00 4.50 C ATOM 65 CG2 ILE A 5 1.490 2.760 1.949 1.00 1.13 C ATOM 66 CD1 ILE A 5 3.561 3.485 4.207 1.00 63.21 C ATOM 0 H ILE A 5 2.877 -0.559 3.924 1.00 53.23 H new ATOM 0 HA ILE A 5 0.278 0.799 3.493 1.00 41.34 H new ATOM 0 HB ILE A 5 3.080 1.408 2.429 1.00 30.34 H new ATOM 0 HG12 ILE A 5 1.601 2.807 4.711 1.00 4.50 H new ATOM 0 HG13 ILE A 5 2.860 1.613 4.956 1.00 4.50 H new ATOM 0 HG21 ILE A 5 2.146 3.622 1.826 1.00 1.13 H new ATOM 0 HG22 ILE A 5 1.317 2.295 0.979 1.00 1.13 H new ATOM 0 HG23 ILE A 5 0.539 3.085 2.370 1.00 1.13 H new ATOM 0 HD11 ILE A 5 3.742 3.880 5.207 1.00 63.21 H new ATOM 0 HD12 ILE A 5 4.488 3.074 3.806 1.00 63.21 H new ATOM 0 HD13 ILE A 5 3.209 4.287 3.558 1.00 63.21 H new ATOM 78 N LEU A 6 -0.173 -0.689 1.489 1.00 74.25 N ATOM 79 CA LEU A 6 -0.515 -1.397 0.253 1.00 52.33 C ATOM 80 C LEU A 6 -1.043 -0.391 -0.753 1.00 12.23 C ATOM 81 O LEU A 6 -2.186 0.055 -0.655 1.00 40.32 O ATOM 82 CB LEU A 6 -1.600 -2.462 0.543 1.00 65.10 C ATOM 83 CG LEU A 6 -1.276 -3.446 1.688 1.00 10.22 C ATOM 84 CD1 LEU A 6 -2.437 -4.417 1.922 1.00 44.45 C ATOM 85 CD2 LEU A 6 0.034 -4.184 1.415 1.00 65.22 C ATOM 0 H LEU A 6 -0.974 -0.523 2.098 1.00 74.25 H new ATOM 0 HA LEU A 6 0.369 -1.894 -0.146 1.00 52.33 H new ATOM 0 HB2 LEU A 6 -2.533 -1.950 0.780 1.00 65.10 H new ATOM 0 HB3 LEU A 6 -1.774 -3.036 -0.367 1.00 65.10 H new ATOM 0 HG LEU A 6 -1.144 -2.873 2.605 1.00 10.22 H new ATOM 0 HD11 LEU A 6 -2.183 -5.099 2.733 1.00 44.45 H new ATOM 0 HD12 LEU A 6 -3.333 -3.856 2.187 1.00 44.45 H new ATOM 0 HD13 LEU A 6 -2.622 -4.988 1.012 1.00 44.45 H new ATOM 0 HD21 LEU A 6 0.242 -4.872 2.235 1.00 65.22 H new ATOM 0 HD22 LEU A 6 -0.051 -4.744 0.484 1.00 65.22 H new ATOM 0 HD23 LEU A 6 0.847 -3.463 1.331 1.00 65.22 H new ATOM 97 N VAL A 7 -0.205 -0.020 -1.707 1.00 60.31 N ATOM 98 CA VAL A 7 -0.584 0.910 -2.756 1.00 24.45 C ATOM 99 C VAL A 7 -1.104 0.098 -3.955 1.00 12.04 C ATOM 100 O VAL A 7 -0.324 -0.528 -4.683 1.00 55.21 O ATOM 101 CB VAL A 7 0.631 1.828 -3.151 1.00 70.14 C ATOM 102 CG1 VAL A 7 0.211 2.903 -4.164 1.00 54.44 C ATOM 103 CG2 VAL A 7 1.276 2.473 -1.898 1.00 14.52 C ATOM 0 H VAL A 7 0.756 -0.355 -1.775 1.00 60.31 H new ATOM 0 HA VAL A 7 -1.374 1.574 -2.406 1.00 24.45 H new ATOM 0 HB VAL A 7 1.380 1.195 -3.627 1.00 70.14 H new ATOM 0 HG11 VAL A 7 1.073 3.521 -4.417 1.00 54.44 H new ATOM 0 HG12 VAL A 7 -0.169 2.424 -5.066 1.00 54.44 H new ATOM 0 HG13 VAL A 7 -0.569 3.528 -3.729 1.00 54.44 H new ATOM 0 HG21 VAL A 7 2.113 3.102 -2.202 1.00 14.52 H new ATOM 0 HG22 VAL A 7 0.535 3.081 -1.380 1.00 14.52 H new ATOM 0 HG23 VAL A 7 1.635 1.690 -1.230 1.00 14.52 H new ATOM 113 N LEU A 8 -2.438 0.100 -4.131 1.00 32.14 N ATOM 114 CA LEU A 8 -3.109 -0.614 -5.219 1.00 71.34 C ATOM 115 C LEU A 8 -3.117 0.298 -6.445 1.00 63.34 C ATOM 116 O LEU A 8 -3.935 1.200 -6.539 1.00 15.43 O ATOM 117 CB LEU A 8 -4.575 -1.006 -4.827 1.00 71.14 C ATOM 118 CG LEU A 8 -4.771 -2.268 -3.921 1.00 14.54 C ATOM 119 CD1 LEU A 8 -4.093 -2.117 -2.545 1.00 34.01 C ATOM 120 CD2 LEU A 8 -6.277 -2.594 -3.777 1.00 10.14 C ATOM 0 H LEU A 8 -3.079 0.601 -3.516 1.00 32.14 H new ATOM 0 HA LEU A 8 -2.574 -1.540 -5.431 1.00 71.34 H new ATOM 0 HB2 LEU A 8 -5.026 -0.154 -4.318 1.00 71.14 H new ATOM 0 HB3 LEU A 8 -5.138 -1.162 -5.747 1.00 71.14 H new ATOM 0 HG LEU A 8 -4.278 -3.106 -4.413 1.00 14.54 H new ATOM 0 HD11 LEU A 8 -4.259 -3.019 -1.956 1.00 34.01 H new ATOM 0 HD12 LEU A 8 -3.022 -1.965 -2.682 1.00 34.01 H new ATOM 0 HD13 LEU A 8 -4.517 -1.260 -2.022 1.00 34.01 H new ATOM 0 HD21 LEU A 8 -6.400 -3.473 -3.145 1.00 10.14 H new ATOM 0 HD22 LEU A 8 -6.791 -1.746 -3.324 1.00 10.14 H new ATOM 0 HD23 LEU A 8 -6.702 -2.792 -4.761 1.00 10.14 H new ATOM 132 N THR A 9 -2.215 0.031 -7.393 1.00 12.24 N ATOM 133 CA THR A 9 -2.050 0.856 -8.594 1.00 31.32 C ATOM 134 C THR A 9 -2.632 0.118 -9.799 1.00 3.25 C ATOM 135 O THR A 9 -2.393 -1.088 -9.968 1.00 72.12 O ATOM 136 CB THR A 9 -0.529 1.166 -8.856 1.00 3.15 C ATOM 137 OG1 THR A 9 0.222 -0.059 -8.923 1.00 11.23 O ATOM 138 CG2 THR A 9 0.086 2.070 -7.773 1.00 64.24 C ATOM 0 H THR A 9 -1.577 -0.764 -7.350 1.00 12.24 H new ATOM 0 HA THR A 9 -2.575 1.799 -8.443 1.00 31.32 H new ATOM 0 HB THR A 9 -0.478 1.698 -9.806 1.00 3.15 H new ATOM 0 HG1 THR A 9 -0.363 -0.786 -9.223 1.00 11.23 H new ATOM 0 HG21 THR A 9 1.136 2.251 -8.004 1.00 64.24 H new ATOM 0 HG22 THR A 9 -0.449 3.019 -7.745 1.00 64.24 H new ATOM 0 HG23 THR A 9 0.007 1.580 -6.802 1.00 64.24 H new ATOM 146 N GLY A 10 -3.378 0.853 -10.643 1.00 5.44 N ATOM 147 CA GLY A 10 -3.905 0.311 -11.895 1.00 54.44 C ATOM 148 C GLY A 10 -2.807 0.006 -12.907 1.00 21.41 C ATOM 149 O GLY A 10 -2.993 -0.813 -13.810 1.00 74.42 O ATOM 0 H GLY A 10 -3.627 1.828 -10.474 1.00 5.44 H new ATOM 0 HA2 GLY A 10 -4.465 -0.600 -11.685 1.00 54.44 H new ATOM 0 HA3 GLY A 10 -4.607 1.023 -12.329 1.00 54.44 H new ATOM 153 N ASP A 11 -1.643 0.645 -12.717 1.00 43.14 N ATOM 154 CA ASP A 11 -0.504 0.553 -13.637 1.00 51.12 C ATOM 155 C ASP A 11 0.822 0.384 -12.863 1.00 63.52 C ATOM 156 O ASP A 11 1.062 1.049 -11.847 1.00 34.22 O ATOM 157 CB ASP A 11 -0.477 1.813 -14.536 1.00 72.41 C ATOM 158 CG ASP A 11 0.738 1.856 -15.476 1.00 53.31 C ATOM 159 OD1 ASP A 11 0.770 1.097 -16.469 1.00 44.14 O ATOM 160 OD2 ASP A 11 1.662 2.644 -15.224 1.00 30.33 O ATOM 0 H ASP A 11 -1.466 1.246 -11.912 1.00 43.14 H new ATOM 0 HA ASP A 11 -0.618 -0.329 -14.267 1.00 51.12 H new ATOM 0 HB2 ASP A 11 -1.390 1.848 -15.130 1.00 72.41 H new ATOM 0 HB3 ASP A 11 -0.473 2.702 -13.905 1.00 72.41 H new ATOM 165 N GLU A 12 1.684 -0.497 -13.405 1.00 11.01 N ATOM 166 CA GLU A 12 2.972 -0.897 -12.808 1.00 75.00 C ATOM 167 C GLU A 12 4.005 0.254 -12.824 1.00 31.22 C ATOM 168 O GLU A 12 4.809 0.375 -11.894 1.00 73.11 O ATOM 169 CB GLU A 12 3.518 -2.132 -13.580 1.00 43.22 C ATOM 170 CG GLU A 12 4.856 -2.696 -13.060 1.00 72.23 C ATOM 171 CD GLU A 12 5.416 -3.822 -13.942 1.00 71.32 C ATOM 172 OE1 GLU A 12 6.167 -3.521 -14.899 1.00 40.31 O ATOM 173 OE2 GLU A 12 5.110 -5.008 -13.683 1.00 1.15 O ATOM 0 H GLU A 12 1.499 -0.962 -14.294 1.00 11.01 H new ATOM 0 HA GLU A 12 2.805 -1.151 -11.761 1.00 75.00 H new ATOM 0 HB2 GLU A 12 2.770 -2.924 -13.542 1.00 43.22 H new ATOM 0 HB3 GLU A 12 3.640 -1.859 -14.628 1.00 43.22 H new ATOM 0 HG2 GLU A 12 5.587 -1.889 -13.003 1.00 72.23 H new ATOM 0 HG3 GLU A 12 4.716 -3.071 -12.046 1.00 72.23 H new ATOM 180 N ARG A 13 3.978 1.092 -13.881 1.00 12.32 N ATOM 181 CA ARG A 13 4.920 2.222 -14.022 1.00 71.03 C ATOM 182 C ARG A 13 4.653 3.285 -12.947 1.00 41.22 C ATOM 183 O ARG A 13 5.602 3.795 -12.348 1.00 61.52 O ATOM 184 CB ARG A 13 4.841 2.855 -15.438 1.00 32.44 C ATOM 185 CG ARG A 13 5.701 4.128 -15.625 1.00 55.31 C ATOM 186 CD ARG A 13 7.225 3.863 -15.575 1.00 10.23 C ATOM 187 NE ARG A 13 7.995 5.104 -15.382 1.00 45.42 N ATOM 188 CZ ARG A 13 8.118 6.114 -16.259 1.00 21.34 C ATOM 189 NH1 ARG A 13 7.530 6.077 -17.451 1.00 42.05 N ATOM 190 NH2 ARG A 13 8.814 7.185 -15.909 1.00 1.02 N ATOM 0 H ARG A 13 3.313 1.007 -14.650 1.00 12.32 H new ATOM 0 HA ARG A 13 5.928 1.830 -13.886 1.00 71.03 H new ATOM 0 HB2 ARG A 13 5.152 2.111 -16.172 1.00 32.44 H new ATOM 0 HB3 ARG A 13 3.801 3.100 -15.654 1.00 32.44 H new ATOM 0 HG2 ARG A 13 5.452 4.586 -16.582 1.00 55.31 H new ATOM 0 HG3 ARG A 13 5.441 4.848 -14.849 1.00 55.31 H new ATOM 0 HD2 ARG A 13 7.446 3.169 -14.764 1.00 10.23 H new ATOM 0 HD3 ARG A 13 7.540 3.381 -16.501 1.00 10.23 H new ATOM 0 HE ARG A 13 8.484 5.207 -14.493 1.00 45.42 H new ATOM 0 HH11 ARG A 13 6.969 5.268 -17.718 1.00 42.05 H new ATOM 0 HH12 ARG A 13 7.640 6.858 -18.098 1.00 42.05 H new ATOM 0 HH21 ARG A 13 9.246 7.233 -14.986 1.00 1.02 H new ATOM 0 HH22 ARG A 13 8.918 7.962 -16.562 1.00 1.02 H new ATOM 204 N ILE A 14 3.356 3.592 -12.706 1.00 15.53 N ATOM 205 CA ILE A 14 2.939 4.530 -11.644 1.00 75.13 C ATOM 206 C ILE A 14 3.465 4.038 -10.281 1.00 43.12 C ATOM 207 O ILE A 14 4.010 4.822 -9.510 1.00 53.44 O ATOM 208 CB ILE A 14 1.372 4.706 -11.581 1.00 4.42 C ATOM 209 CG1 ILE A 14 0.812 5.262 -12.934 1.00 73.03 C ATOM 210 CG2 ILE A 14 0.971 5.625 -10.400 1.00 62.50 C ATOM 211 CD1 ILE A 14 -0.703 5.429 -12.976 1.00 53.22 C ATOM 0 H ILE A 14 2.579 3.200 -13.238 1.00 15.53 H new ATOM 0 HA ILE A 14 3.366 5.504 -11.881 1.00 75.13 H new ATOM 0 HB ILE A 14 0.930 3.724 -11.415 1.00 4.42 H new ATOM 0 HG12 ILE A 14 1.276 6.228 -13.134 1.00 73.03 H new ATOM 0 HG13 ILE A 14 1.112 4.591 -13.739 1.00 73.03 H new ATOM 0 HG21 ILE A 14 -0.113 5.733 -10.375 1.00 62.50 H new ATOM 0 HG22 ILE A 14 1.314 5.185 -9.464 1.00 62.50 H new ATOM 0 HG23 ILE A 14 1.430 6.605 -10.529 1.00 62.50 H new ATOM 0 HD11 ILE A 14 -0.999 5.819 -13.950 1.00 53.22 H new ATOM 0 HD12 ILE A 14 -1.180 4.463 -12.811 1.00 53.22 H new ATOM 0 HD13 ILE A 14 -1.014 6.125 -12.197 1.00 53.22 H new ATOM 223 N ALA A 15 3.344 2.714 -10.048 1.00 3.44 N ATOM 224 CA ALA A 15 3.870 2.043 -8.846 1.00 61.42 C ATOM 225 C ALA A 15 5.375 2.331 -8.647 1.00 31.31 C ATOM 226 O ALA A 15 5.799 2.719 -7.561 1.00 11.31 O ATOM 227 CB ALA A 15 3.606 0.533 -8.947 1.00 72.21 C ATOM 0 H ALA A 15 2.875 2.079 -10.694 1.00 3.44 H new ATOM 0 HA ALA A 15 3.353 2.439 -7.972 1.00 61.42 H new ATOM 0 HB1 ALA A 15 3.995 0.035 -8.058 1.00 72.21 H new ATOM 0 HB2 ALA A 15 2.533 0.355 -9.022 1.00 72.21 H new ATOM 0 HB3 ALA A 15 4.103 0.135 -9.832 1.00 72.21 H new ATOM 233 N GLU A 16 6.155 2.198 -9.729 1.00 73.50 N ATOM 234 CA GLU A 16 7.610 2.442 -9.714 1.00 3.42 C ATOM 235 C GLU A 16 7.950 3.951 -9.576 1.00 61.35 C ATOM 236 O GLU A 16 9.010 4.307 -9.049 1.00 42.35 O ATOM 237 CB GLU A 16 8.261 1.812 -10.967 1.00 72.24 C ATOM 238 CG GLU A 16 8.058 0.278 -11.077 1.00 4.15 C ATOM 239 CD GLU A 16 8.655 -0.523 -9.896 1.00 61.44 C ATOM 240 OE1 GLU A 16 9.869 -0.833 -9.933 1.00 42.13 O ATOM 241 OE2 GLU A 16 7.924 -0.852 -8.928 1.00 31.03 O ATOM 0 H GLU A 16 5.797 1.918 -10.642 1.00 73.50 H new ATOM 0 HA GLU A 16 8.028 1.960 -8.830 1.00 3.42 H new ATOM 0 HB2 GLU A 16 7.849 2.288 -11.857 1.00 72.24 H new ATOM 0 HB3 GLU A 16 9.329 2.027 -10.956 1.00 72.24 H new ATOM 0 HG2 GLU A 16 6.991 0.067 -11.143 1.00 4.15 H new ATOM 0 HG3 GLU A 16 8.510 -0.072 -12.005 1.00 4.15 H new ATOM 248 N GLU A 17 7.050 4.826 -10.052 1.00 33.11 N ATOM 249 CA GLU A 17 7.186 6.296 -9.912 1.00 3.15 C ATOM 250 C GLU A 17 6.896 6.758 -8.470 1.00 4.10 C ATOM 251 O GLU A 17 7.333 7.831 -8.049 1.00 72.33 O ATOM 252 CB GLU A 17 6.277 7.036 -10.914 1.00 73.14 C ATOM 253 CG GLU A 17 6.639 6.814 -12.393 1.00 33.43 C ATOM 254 CD GLU A 17 8.066 7.264 -12.752 1.00 30.22 C ATOM 255 OE1 GLU A 17 8.297 8.476 -12.919 1.00 52.15 O ATOM 256 OE2 GLU A 17 8.966 6.404 -12.878 1.00 51.45 O ATOM 0 H GLU A 17 6.205 4.540 -10.546 1.00 33.11 H new ATOM 0 HA GLU A 17 8.222 6.548 -10.140 1.00 3.15 H new ATOM 0 HB2 GLU A 17 5.247 6.717 -10.754 1.00 73.14 H new ATOM 0 HB3 GLU A 17 6.317 8.104 -10.700 1.00 73.14 H new ATOM 0 HG2 GLU A 17 6.530 5.756 -12.630 1.00 33.43 H new ATOM 0 HG3 GLU A 17 5.928 7.355 -13.018 1.00 33.43 H new ATOM 263 N LEU A 18 6.072 5.999 -7.752 1.00 12.34 N ATOM 264 CA LEU A 18 5.864 6.205 -6.310 1.00 73.21 C ATOM 265 C LEU A 18 7.070 5.638 -5.532 1.00 33.04 C ATOM 266 O LEU A 18 7.520 6.220 -4.542 1.00 33.32 O ATOM 267 CB LEU A 18 4.536 5.539 -5.876 1.00 14.21 C ATOM 268 CG LEU A 18 3.273 5.974 -6.684 1.00 71.14 C ATOM 269 CD1 LEU A 18 2.006 5.275 -6.165 1.00 64.24 C ATOM 270 CD2 LEU A 18 3.112 7.510 -6.712 1.00 2.05 C ATOM 0 H LEU A 18 5.531 5.228 -8.144 1.00 12.34 H new ATOM 0 HA LEU A 18 5.790 7.270 -6.088 1.00 73.21 H new ATOM 0 HB2 LEU A 18 4.647 4.458 -5.961 1.00 14.21 H new ATOM 0 HB3 LEU A 18 4.366 5.760 -4.822 1.00 14.21 H new ATOM 0 HG LEU A 18 3.420 5.652 -7.715 1.00 71.14 H new ATOM 0 HD11 LEU A 18 1.146 5.600 -6.750 1.00 64.24 H new ATOM 0 HD12 LEU A 18 2.121 4.195 -6.260 1.00 64.24 H new ATOM 0 HD13 LEU A 18 1.851 5.533 -5.117 1.00 64.24 H new ATOM 0 HD21 LEU A 18 2.222 7.772 -7.284 1.00 2.05 H new ATOM 0 HD22 LEU A 18 3.012 7.884 -5.693 1.00 2.05 H new ATOM 0 HD23 LEU A 18 3.988 7.959 -7.179 1.00 2.05 H new ATOM 282 N ARG A 19 7.607 4.513 -6.053 1.00 71.41 N ATOM 283 CA ARG A 19 8.776 3.801 -5.497 1.00 53.20 C ATOM 284 C ARG A 19 10.034 4.674 -5.498 1.00 2.13 C ATOM 285 O ARG A 19 10.816 4.623 -4.540 1.00 21.12 O ATOM 286 CB ARG A 19 9.033 2.513 -6.320 1.00 32.32 C ATOM 287 CG ARG A 19 10.262 1.691 -5.897 1.00 23.35 C ATOM 288 CD ARG A 19 10.456 0.432 -6.755 1.00 62.32 C ATOM 289 NE ARG A 19 11.544 -0.409 -6.236 1.00 44.40 N ATOM 290 CZ ARG A 19 11.861 -1.632 -6.688 1.00 33.14 C ATOM 291 NH1 ARG A 19 11.181 -2.199 -7.686 1.00 22.11 N ATOM 292 NH2 ARG A 19 12.857 -2.287 -6.113 1.00 61.43 N ATOM 0 H ARG A 19 7.231 4.066 -6.889 1.00 71.41 H new ATOM 0 HA ARG A 19 8.552 3.549 -4.461 1.00 53.20 H new ATOM 0 HB2 ARG A 19 8.151 1.877 -6.251 1.00 32.32 H new ATOM 0 HB3 ARG A 19 9.146 2.789 -7.368 1.00 32.32 H new ATOM 0 HG2 ARG A 19 11.153 2.315 -5.967 1.00 23.35 H new ATOM 0 HG3 ARG A 19 10.158 1.401 -4.851 1.00 23.35 H new ATOM 0 HD2 ARG A 19 9.529 -0.142 -6.776 1.00 62.32 H new ATOM 0 HD3 ARG A 19 10.676 0.721 -7.783 1.00 62.32 H new ATOM 0 HE ARG A 19 12.103 -0.033 -5.470 1.00 44.40 H new ATOM 0 HH11 ARG A 19 10.404 -1.702 -8.121 1.00 22.11 H new ATOM 0 HH12 ARG A 19 11.439 -3.130 -8.014 1.00 22.11 H new ATOM 0 HH21 ARG A 19 13.369 -1.861 -5.340 1.00 61.43 H new ATOM 0 HH22 ARG A 19 13.113 -3.218 -6.443 1.00 61.43 H new ATOM 306 N LYS A 20 10.217 5.479 -6.570 1.00 44.44 N ATOM 307 CA LYS A 20 11.403 6.352 -6.723 1.00 64.25 C ATOM 308 C LYS A 20 11.501 7.309 -5.525 1.00 2.23 C ATOM 309 O LYS A 20 12.579 7.535 -4.986 1.00 73.21 O ATOM 310 CB LYS A 20 11.353 7.132 -8.084 1.00 65.14 C ATOM 311 CG LYS A 20 10.407 8.355 -8.122 1.00 32.11 C ATOM 312 CD LYS A 20 10.009 8.817 -9.547 1.00 62.42 C ATOM 313 CE LYS A 20 11.178 9.268 -10.430 1.00 64.54 C ATOM 314 NZ LYS A 20 10.696 9.760 -11.761 1.00 64.52 N ATOM 0 H LYS A 20 9.556 5.542 -7.344 1.00 44.44 H new ATOM 0 HA LYS A 20 12.300 5.733 -6.742 1.00 64.25 H new ATOM 0 HB2 LYS A 20 12.361 7.468 -8.326 1.00 65.14 H new ATOM 0 HB3 LYS A 20 11.051 6.438 -8.868 1.00 65.14 H new ATOM 0 HG2 LYS A 20 9.501 8.115 -7.566 1.00 32.11 H new ATOM 0 HG3 LYS A 20 10.887 9.186 -7.605 1.00 32.11 H new ATOM 0 HD2 LYS A 20 9.490 7.999 -10.047 1.00 62.42 H new ATOM 0 HD3 LYS A 20 9.299 9.640 -9.461 1.00 62.42 H new ATOM 0 HE2 LYS A 20 11.733 10.060 -9.926 1.00 64.54 H new ATOM 0 HE3 LYS A 20 11.869 8.437 -10.575 1.00 64.54 H new ATOM 0 HZ1 LYS A 20 11.449 9.642 -12.468 1.00 64.52 H new ATOM 0 HZ2 LYS A 20 9.860 9.214 -12.051 1.00 64.52 H new ATOM 0 HZ3 LYS A 20 10.444 10.766 -11.689 1.00 64.52 H new ATOM 328 N GLU A 21 10.325 7.775 -5.069 1.00 2.42 N ATOM 329 CA GLU A 21 10.199 8.708 -3.954 1.00 70.43 C ATOM 330 C GLU A 21 10.447 8.024 -2.610 1.00 41.42 C ATOM 331 O GLU A 21 11.048 8.627 -1.734 1.00 42.03 O ATOM 332 CB GLU A 21 8.807 9.359 -3.972 1.00 35.43 C ATOM 333 CG GLU A 21 8.531 10.180 -5.237 1.00 11.44 C ATOM 334 CD GLU A 21 9.493 11.372 -5.438 1.00 31.41 C ATOM 335 OE1 GLU A 21 9.230 12.462 -4.879 1.00 21.32 O ATOM 336 OE2 GLU A 21 10.505 11.230 -6.169 1.00 1.04 O ATOM 0 H GLU A 21 9.429 7.506 -5.475 1.00 2.42 H new ATOM 0 HA GLU A 21 10.961 9.478 -4.074 1.00 70.43 H new ATOM 0 HB2 GLU A 21 8.050 8.580 -3.882 1.00 35.43 H new ATOM 0 HB3 GLU A 21 8.706 10.005 -3.100 1.00 35.43 H new ATOM 0 HG2 GLU A 21 8.597 9.524 -6.105 1.00 11.44 H new ATOM 0 HG3 GLU A 21 7.508 10.555 -5.198 1.00 11.44 H new ATOM 343 N VAL A 22 9.976 6.762 -2.470 1.00 35.21 N ATOM 344 CA VAL A 22 10.164 5.957 -1.238 1.00 75.25 C ATOM 345 C VAL A 22 11.661 5.780 -0.937 1.00 55.21 C ATOM 346 O VAL A 22 12.107 5.948 0.199 1.00 24.32 O ATOM 347 CB VAL A 22 9.502 4.531 -1.360 1.00 72.20 C ATOM 348 CG1 VAL A 22 9.688 3.702 -0.064 1.00 71.11 C ATOM 349 CG2 VAL A 22 8.012 4.633 -1.736 1.00 45.24 C ATOM 0 H VAL A 22 9.458 6.275 -3.202 1.00 35.21 H new ATOM 0 HA VAL A 22 9.678 6.500 -0.428 1.00 75.25 H new ATOM 0 HB VAL A 22 10.016 4.007 -2.165 1.00 72.20 H new ATOM 0 HG11 VAL A 22 9.219 2.726 -0.186 1.00 71.11 H new ATOM 0 HG12 VAL A 22 10.752 3.571 0.135 1.00 71.11 H new ATOM 0 HG13 VAL A 22 9.225 4.225 0.772 1.00 71.11 H new ATOM 0 HG21 VAL A 22 7.587 3.632 -1.812 1.00 45.24 H new ATOM 0 HG22 VAL A 22 7.481 5.196 -0.969 1.00 45.24 H new ATOM 0 HG23 VAL A 22 7.913 5.143 -2.694 1.00 45.24 H new ATOM 359 N GLN A 23 12.421 5.485 -2.004 1.00 63.33 N ATOM 360 CA GLN A 23 13.874 5.258 -1.936 1.00 1.42 C ATOM 361 C GLN A 23 14.616 6.551 -1.532 1.00 25.14 C ATOM 362 O GLN A 23 15.634 6.501 -0.832 1.00 52.34 O ATOM 363 CB GLN A 23 14.379 4.722 -3.303 1.00 20.15 C ATOM 364 CG GLN A 23 13.709 3.398 -3.733 1.00 22.10 C ATOM 365 CD GLN A 23 14.096 2.946 -5.141 1.00 34.22 C ATOM 366 OE1 GLN A 23 15.064 2.206 -5.326 1.00 3.45 O ATOM 367 NE2 GLN A 23 13.345 3.385 -6.144 1.00 13.22 N ATOM 0 H GLN A 23 12.041 5.397 -2.946 1.00 63.33 H new ATOM 0 HA GLN A 23 14.083 4.513 -1.169 1.00 1.42 H new ATOM 0 HB2 GLN A 23 14.199 5.476 -4.069 1.00 20.15 H new ATOM 0 HB3 GLN A 23 15.458 4.573 -3.250 1.00 20.15 H new ATOM 0 HG2 GLN A 23 13.979 2.617 -3.023 1.00 22.10 H new ATOM 0 HG3 GLN A 23 12.626 3.515 -3.683 1.00 22.10 H new ATOM 0 HE21 GLN A 23 12.550 3.997 -5.957 1.00 13.22 H new ATOM 0 HE22 GLN A 23 13.563 3.111 -7.102 1.00 13.22 H new ATOM 376 N LYS A 24 14.075 7.707 -1.966 1.00 3.34 N ATOM 377 CA LYS A 24 14.634 9.044 -1.651 1.00 23.15 C ATOM 378 C LYS A 24 14.153 9.550 -0.267 1.00 34.34 C ATOM 379 O LYS A 24 14.822 10.376 0.364 1.00 22.54 O ATOM 380 CB LYS A 24 14.232 10.061 -2.757 1.00 64.43 C ATOM 381 CG LYS A 24 14.690 9.673 -4.184 1.00 23.52 C ATOM 382 CD LYS A 24 14.166 10.656 -5.265 1.00 72.41 C ATOM 383 CE LYS A 24 14.300 10.107 -6.697 1.00 40.14 C ATOM 384 NZ LYS A 24 15.699 9.740 -7.055 1.00 22.13 N ATOM 0 H LYS A 24 13.237 7.744 -2.546 1.00 3.34 H new ATOM 0 HA LYS A 24 15.720 8.954 -1.616 1.00 23.15 H new ATOM 0 HB2 LYS A 24 13.148 10.171 -2.755 1.00 64.43 H new ATOM 0 HB3 LYS A 24 14.652 11.035 -2.507 1.00 64.43 H new ATOM 0 HG2 LYS A 24 15.779 9.648 -4.218 1.00 23.52 H new ATOM 0 HG3 LYS A 24 14.340 8.666 -4.413 1.00 23.52 H new ATOM 0 HD2 LYS A 24 13.118 10.881 -5.065 1.00 72.41 H new ATOM 0 HD3 LYS A 24 14.714 11.595 -5.190 1.00 72.41 H new ATOM 0 HE2 LYS A 24 13.662 9.230 -6.804 1.00 40.14 H new ATOM 0 HE3 LYS A 24 13.935 10.854 -7.402 1.00 40.14 H new ATOM 0 HZ1 LYS A 24 15.730 9.409 -8.041 1.00 22.13 H new ATOM 0 HZ2 LYS A 24 16.314 10.572 -6.949 1.00 22.13 H new ATOM 0 HZ3 LYS A 24 16.031 8.982 -6.425 1.00 22.13 H new ATOM 398 N HIS A 25 12.992 9.036 0.185 1.00 13.03 N ATOM 399 CA HIS A 25 12.327 9.455 1.443 1.00 41.43 C ATOM 400 C HIS A 25 12.993 8.762 2.645 1.00 23.41 C ATOM 401 O HIS A 25 13.326 9.411 3.644 1.00 64.30 O ATOM 402 CB HIS A 25 10.808 9.102 1.366 1.00 3.44 C ATOM 403 CG HIS A 25 9.939 9.598 2.506 1.00 45.24 C ATOM 404 ND1 HIS A 25 8.916 10.486 2.282 1.00 60.32 N ATOM 405 CD2 HIS A 25 9.919 9.236 3.819 1.00 54.21 C ATOM 406 CE1 HIS A 25 8.303 10.634 3.441 1.00 40.15 C ATOM 407 NE2 HIS A 25 8.874 9.896 4.399 1.00 12.22 N ATOM 0 H HIS A 25 12.481 8.310 -0.316 1.00 13.03 H new ATOM 0 HA HIS A 25 12.430 10.532 1.574 1.00 41.43 H new ATOM 0 HB2 HIS A 25 10.411 9.505 0.434 1.00 3.44 H new ATOM 0 HB3 HIS A 25 10.712 8.018 1.311 1.00 3.44 H new ATOM 0 HD2 HIS A 25 10.600 8.556 4.308 1.00 54.21 H new ATOM 0 HE1 HIS A 25 7.446 11.272 3.597 1.00 40.15 H new ATOM 0 HE2 HIS A 25 8.584 9.837 5.375 1.00 12.22 H new ATOM 415 N ASP A 26 13.183 7.438 2.527 1.00 62.35 N ATOM 416 CA ASP A 26 13.794 6.606 3.576 1.00 30.25 C ATOM 417 C ASP A 26 14.317 5.287 2.953 1.00 2.13 C ATOM 418 O ASP A 26 13.539 4.562 2.323 1.00 55.32 O ATOM 419 CB ASP A 26 12.775 6.291 4.707 1.00 34.23 C ATOM 420 CG ASP A 26 13.440 5.606 5.913 1.00 22.20 C ATOM 421 OD1 ASP A 26 14.189 6.285 6.654 1.00 70.22 O ATOM 422 OD2 ASP A 26 13.259 4.394 6.108 1.00 31.34 O ATOM 0 H ASP A 26 12.915 6.911 1.696 1.00 62.35 H new ATOM 0 HA ASP A 26 14.624 7.159 4.015 1.00 30.25 H new ATOM 0 HB2 ASP A 26 12.299 7.216 5.033 1.00 34.23 H new ATOM 0 HB3 ASP A 26 11.987 5.648 4.315 1.00 34.23 H new ATOM 427 N PRO A 27 15.634 4.940 3.134 1.00 22.33 N ATOM 428 CA PRO A 27 16.242 3.743 2.492 1.00 61.24 C ATOM 429 C PRO A 27 15.817 2.408 3.150 1.00 12.33 C ATOM 430 O PRO A 27 15.984 1.338 2.549 1.00 63.04 O ATOM 431 CB PRO A 27 17.762 4.004 2.657 1.00 53.04 C ATOM 432 CG PRO A 27 17.870 4.789 3.932 1.00 3.42 C ATOM 433 CD PRO A 27 16.638 5.678 3.966 1.00 30.54 C ATOM 0 HA PRO A 27 15.923 3.625 1.457 1.00 61.24 H new ATOM 0 HB2 PRO A 27 18.321 3.070 2.717 1.00 53.04 H new ATOM 0 HB3 PRO A 27 18.163 4.562 1.811 1.00 53.04 H new ATOM 0 HG2 PRO A 27 17.901 4.128 4.798 1.00 3.42 H new ATOM 0 HG3 PRO A 27 18.784 5.383 3.951 1.00 3.42 H new ATOM 0 HD2 PRO A 27 16.280 5.825 4.985 1.00 30.54 H new ATOM 0 HD3 PRO A 27 16.847 6.666 3.556 1.00 30.54 H new ATOM 441 N ASN A 28 15.264 2.486 4.376 1.00 70.31 N ATOM 442 CA ASN A 28 14.875 1.296 5.162 1.00 25.23 C ATOM 443 C ASN A 28 13.512 0.774 4.694 1.00 14.21 C ATOM 444 O ASN A 28 13.293 -0.448 4.655 1.00 4.13 O ATOM 445 CB ASN A 28 14.823 1.622 6.680 1.00 2.41 C ATOM 446 CG ASN A 28 16.081 2.324 7.187 1.00 43.32 C ATOM 447 OD1 ASN A 28 17.041 1.687 7.623 1.00 75.24 O ATOM 448 ND2 ASN A 28 16.085 3.648 7.142 1.00 35.32 N ATOM 0 H ASN A 28 15.075 3.370 4.848 1.00 70.31 H new ATOM 0 HA ASN A 28 15.629 0.525 5.002 1.00 25.23 H new ATOM 0 HB2 ASN A 28 13.957 2.253 6.880 1.00 2.41 H new ATOM 0 HB3 ASN A 28 14.680 0.697 7.239 1.00 2.41 H new ATOM 0 HD21 ASN A 28 16.898 4.167 7.474 1.00 35.32 H new ATOM 0 HD22 ASN A 28 15.275 4.148 6.775 1.00 35.32 H new ATOM 455 N VAL A 29 12.597 1.713 4.358 1.00 51.22 N ATOM 456 CA VAL A 29 11.277 1.367 3.809 1.00 42.22 C ATOM 457 C VAL A 29 11.463 0.699 2.434 1.00 23.23 C ATOM 458 O VAL A 29 11.902 1.345 1.473 1.00 42.33 O ATOM 459 CB VAL A 29 10.336 2.628 3.661 1.00 44.15 C ATOM 460 CG1 VAL A 29 8.923 2.218 3.185 1.00 12.04 C ATOM 461 CG2 VAL A 29 10.261 3.425 4.975 1.00 5.14 C ATOM 0 H VAL A 29 12.755 2.716 4.460 1.00 51.22 H new ATOM 0 HA VAL A 29 10.795 0.684 4.508 1.00 42.22 H new ATOM 0 HB VAL A 29 10.772 3.276 2.901 1.00 44.15 H new ATOM 0 HG11 VAL A 29 8.298 3.106 3.092 1.00 12.04 H new ATOM 0 HG12 VAL A 29 8.995 1.722 2.217 1.00 12.04 H new ATOM 0 HG13 VAL A 29 8.479 1.536 3.910 1.00 12.04 H new ATOM 0 HG21 VAL A 29 9.606 4.286 4.841 1.00 5.14 H new ATOM 0 HG22 VAL A 29 9.865 2.787 5.765 1.00 5.14 H new ATOM 0 HG23 VAL A 29 11.259 3.767 5.251 1.00 5.14 H new ATOM 471 N LYS A 30 11.164 -0.603 2.371 1.00 14.24 N ATOM 472 CA LYS A 30 11.309 -1.401 1.148 1.00 73.00 C ATOM 473 C LYS A 30 10.008 -1.400 0.335 1.00 13.43 C ATOM 474 O LYS A 30 8.932 -1.116 0.866 1.00 63.12 O ATOM 475 CB LYS A 30 11.745 -2.849 1.490 1.00 75.13 C ATOM 476 CG LYS A 30 13.200 -3.000 2.003 1.00 75.43 C ATOM 477 CD LYS A 30 14.271 -2.433 1.026 1.00 43.32 C ATOM 478 CE LYS A 30 14.194 -3.006 -0.410 1.00 41.42 C ATOM 479 NZ LYS A 30 14.330 -4.488 -0.465 1.00 62.43 N ATOM 0 H LYS A 30 10.814 -1.134 3.168 1.00 14.24 H new ATOM 0 HA LYS A 30 12.087 -0.946 0.535 1.00 73.00 H new ATOM 0 HB2 LYS A 30 11.068 -3.246 2.246 1.00 75.13 H new ATOM 0 HB3 LYS A 30 11.625 -3.467 0.600 1.00 75.13 H new ATOM 0 HG2 LYS A 30 13.292 -2.492 2.963 1.00 75.43 H new ATOM 0 HG3 LYS A 30 13.405 -4.056 2.180 1.00 75.43 H new ATOM 0 HD2 LYS A 30 14.164 -1.349 0.978 1.00 43.32 H new ATOM 0 HD3 LYS A 30 15.261 -2.638 1.433 1.00 43.32 H new ATOM 0 HE2 LYS A 30 13.242 -2.719 -0.857 1.00 41.42 H new ATOM 0 HE3 LYS A 30 14.979 -2.554 -1.016 1.00 41.42 H new ATOM 0 HZ1 LYS A 30 14.270 -4.806 -1.453 1.00 62.43 H new ATOM 0 HZ2 LYS A 30 15.249 -4.767 -0.067 1.00 62.43 H new ATOM 0 HZ3 LYS A 30 13.566 -4.927 0.087 1.00 62.43 H new ATOM 493 N THR A 31 10.137 -1.711 -0.963 1.00 63.12 N ATOM 494 CA THR A 31 9.017 -1.720 -1.918 1.00 73.41 C ATOM 495 C THR A 31 8.896 -3.111 -2.569 1.00 43.00 C ATOM 496 O THR A 31 9.848 -3.595 -3.193 1.00 10.41 O ATOM 497 CB THR A 31 9.241 -0.622 -2.998 1.00 73.20 C ATOM 498 OG1 THR A 31 10.553 -0.766 -3.557 1.00 64.32 O ATOM 499 CG2 THR A 31 9.082 0.804 -2.424 1.00 21.52 C ATOM 0 H THR A 31 11.030 -1.966 -1.384 1.00 63.12 H new ATOM 0 HA THR A 31 8.087 -1.505 -1.392 1.00 73.41 H new ATOM 0 HB THR A 31 8.480 -0.755 -3.767 1.00 73.20 H new ATOM 0 HG1 THR A 31 10.737 -1.715 -3.718 1.00 64.32 H new ATOM 0 HG21 THR A 31 9.248 1.535 -3.215 1.00 21.52 H new ATOM 0 HG22 THR A 31 8.076 0.925 -2.023 1.00 21.52 H new ATOM 0 HG23 THR A 31 9.811 0.959 -1.628 1.00 21.52 H new ATOM 507 N VAL A 32 7.723 -3.746 -2.406 1.00 23.51 N ATOM 508 CA VAL A 32 7.469 -5.130 -2.859 1.00 73.43 C ATOM 509 C VAL A 32 6.432 -5.103 -4.008 1.00 31.13 C ATOM 510 O VAL A 32 5.355 -4.534 -3.829 1.00 32.21 O ATOM 511 CB VAL A 32 6.921 -6.016 -1.669 1.00 44.12 C ATOM 512 CG1 VAL A 32 6.910 -7.516 -2.045 1.00 61.12 C ATOM 513 CG2 VAL A 32 7.719 -5.761 -0.368 1.00 43.21 C ATOM 0 H VAL A 32 6.918 -3.313 -1.954 1.00 23.51 H new ATOM 0 HA VAL A 32 8.404 -5.566 -3.210 1.00 73.43 H new ATOM 0 HB VAL A 32 5.889 -5.720 -1.482 1.00 44.12 H new ATOM 0 HG11 VAL A 32 6.528 -8.098 -1.207 1.00 61.12 H new ATOM 0 HG12 VAL A 32 6.270 -7.669 -2.914 1.00 61.12 H new ATOM 0 HG13 VAL A 32 7.924 -7.840 -2.280 1.00 61.12 H new ATOM 0 HG21 VAL A 32 7.319 -6.384 0.432 1.00 43.21 H new ATOM 0 HG22 VAL A 32 8.768 -6.008 -0.530 1.00 43.21 H new ATOM 0 HG23 VAL A 32 7.632 -4.711 -0.088 1.00 43.21 H new ATOM 523 N PRO A 33 6.738 -5.692 -5.212 1.00 53.33 N ATOM 524 CA PRO A 33 5.791 -5.702 -6.356 1.00 4.45 C ATOM 525 C PRO A 33 4.654 -6.743 -6.213 1.00 62.32 C ATOM 526 O PRO A 33 4.625 -7.552 -5.272 1.00 4.34 O ATOM 527 CB PRO A 33 6.709 -6.024 -7.556 1.00 33.32 C ATOM 528 CG PRO A 33 7.794 -6.876 -6.976 1.00 24.43 C ATOM 529 CD PRO A 33 8.021 -6.361 -5.565 1.00 1.53 C ATOM 0 HA PRO A 33 5.254 -4.758 -6.449 1.00 4.45 H new ATOM 0 HB2 PRO A 33 6.167 -6.551 -8.341 1.00 33.32 H new ATOM 0 HB3 PRO A 33 7.113 -5.115 -8.002 1.00 33.32 H new ATOM 0 HG2 PRO A 33 7.502 -7.926 -6.966 1.00 24.43 H new ATOM 0 HG3 PRO A 33 8.706 -6.804 -7.569 1.00 24.43 H new ATOM 0 HD2 PRO A 33 8.250 -7.174 -4.876 1.00 1.53 H new ATOM 0 HD3 PRO A 33 8.858 -5.664 -5.525 1.00 1.53 H new ATOM 537 N THR A 34 3.756 -6.717 -7.210 1.00 11.35 N ATOM 538 CA THR A 34 2.506 -7.500 -7.235 1.00 12.21 C ATOM 539 C THR A 34 2.751 -9.027 -7.285 1.00 61.24 C ATOM 540 O THR A 34 1.975 -9.815 -6.720 1.00 73.11 O ATOM 541 CB THR A 34 1.664 -7.076 -8.483 1.00 42.45 C ATOM 542 OG1 THR A 34 2.409 -7.344 -9.683 1.00 14.24 O ATOM 543 CG2 THR A 34 1.305 -5.583 -8.469 1.00 31.20 C ATOM 0 H THR A 34 3.880 -6.139 -8.041 1.00 11.35 H new ATOM 0 HA THR A 34 1.973 -7.289 -6.308 1.00 12.21 H new ATOM 0 HB THR A 34 0.740 -7.654 -8.452 1.00 42.45 H new ATOM 0 HG1 THR A 34 1.879 -7.079 -10.463 1.00 14.24 H new ATOM 0 HG21 THR A 34 0.721 -5.341 -9.357 1.00 31.20 H new ATOM 0 HG22 THR A 34 0.720 -5.358 -7.577 1.00 31.20 H new ATOM 0 HG23 THR A 34 2.219 -4.989 -8.463 1.00 31.20 H new ATOM 551 N LYS A 35 3.844 -9.425 -7.964 1.00 71.50 N ATOM 552 CA LYS A 35 4.151 -10.843 -8.253 1.00 42.55 C ATOM 553 C LYS A 35 4.590 -11.619 -6.997 1.00 44.11 C ATOM 554 O LYS A 35 4.550 -12.851 -6.981 1.00 42.52 O ATOM 555 CB LYS A 35 5.255 -10.940 -9.345 1.00 74.23 C ATOM 556 CG LYS A 35 6.659 -10.467 -8.886 1.00 45.25 C ATOM 557 CD LYS A 35 7.758 -10.749 -9.937 1.00 71.20 C ATOM 558 CE LYS A 35 9.166 -10.389 -9.429 1.00 12.43 C ATOM 559 NZ LYS A 35 9.606 -11.237 -8.287 1.00 1.31 N ATOM 0 H LYS A 35 4.540 -8.774 -8.328 1.00 71.50 H new ATOM 0 HA LYS A 35 3.231 -11.302 -8.614 1.00 42.55 H new ATOM 0 HB2 LYS A 35 5.326 -11.975 -9.681 1.00 74.23 H new ATOM 0 HB3 LYS A 35 4.949 -10.346 -10.206 1.00 74.23 H new ATOM 0 HG2 LYS A 35 6.627 -9.398 -8.678 1.00 45.25 H new ATOM 0 HG3 LYS A 35 6.919 -10.966 -7.952 1.00 45.25 H new ATOM 0 HD2 LYS A 35 7.733 -11.804 -10.210 1.00 71.20 H new ATOM 0 HD3 LYS A 35 7.545 -10.180 -10.842 1.00 71.20 H new ATOM 0 HE2 LYS A 35 9.879 -10.492 -10.247 1.00 12.43 H new ATOM 0 HE3 LYS A 35 9.180 -9.343 -9.124 1.00 12.43 H new ATOM 0 HZ1 LYS A 35 9.487 -10.711 -7.398 1.00 1.31 H new ATOM 0 HZ2 LYS A 35 9.031 -12.103 -8.256 1.00 1.31 H new ATOM 0 HZ3 LYS A 35 10.607 -11.490 -8.408 1.00 1.31 H new ATOM 573 N ASP A 36 5.014 -10.895 -5.952 1.00 51.55 N ATOM 574 CA ASP A 36 5.606 -11.502 -4.745 1.00 4.53 C ATOM 575 C ASP A 36 4.607 -11.532 -3.579 1.00 32.32 C ATOM 576 O ASP A 36 5.026 -11.415 -2.435 1.00 41.40 O ATOM 577 CB ASP A 36 6.910 -10.733 -4.350 1.00 54.01 C ATOM 578 CG ASP A 36 8.048 -10.905 -5.369 1.00 33.14 C ATOM 579 OD1 ASP A 36 8.352 -12.056 -5.751 1.00 70.52 O ATOM 580 OD2 ASP A 36 8.645 -9.898 -5.799 1.00 11.33 O ATOM 0 H ASP A 36 4.958 -9.877 -5.916 1.00 51.55 H new ATOM 0 HA ASP A 36 5.862 -12.537 -4.972 1.00 4.53 H new ATOM 0 HB2 ASP A 36 6.681 -9.672 -4.247 1.00 54.01 H new ATOM 0 HB3 ASP A 36 7.249 -11.083 -3.375 1.00 54.01 H new ATOM 585 N LYS A 37 3.299 -11.757 -3.881 1.00 14.54 N ATOM 586 CA LYS A 37 2.197 -11.784 -2.867 1.00 54.54 C ATOM 587 C LYS A 37 2.551 -12.722 -1.688 1.00 1.40 C ATOM 588 O LYS A 37 2.410 -12.338 -0.511 1.00 73.00 O ATOM 589 CB LYS A 37 0.848 -12.211 -3.560 1.00 11.32 C ATOM 590 CG LYS A 37 -0.480 -12.057 -2.749 1.00 11.50 C ATOM 591 CD LYS A 37 -0.600 -12.986 -1.513 1.00 63.31 C ATOM 592 CE LYS A 37 -1.974 -12.951 -0.835 1.00 23.55 C ATOM 593 NZ LYS A 37 -3.007 -13.682 -1.615 1.00 54.11 N ATOM 0 H LYS A 37 2.974 -11.925 -4.833 1.00 14.54 H new ATOM 0 HA LYS A 37 2.071 -10.783 -2.453 1.00 54.54 H new ATOM 0 HB2 LYS A 37 0.747 -11.631 -4.478 1.00 11.32 H new ATOM 0 HB3 LYS A 37 0.940 -13.257 -3.852 1.00 11.32 H new ATOM 0 HG2 LYS A 37 -0.569 -11.022 -2.418 1.00 11.50 H new ATOM 0 HG3 LYS A 37 -1.320 -12.252 -3.415 1.00 11.50 H new ATOM 0 HD2 LYS A 37 -0.384 -14.010 -1.819 1.00 63.31 H new ATOM 0 HD3 LYS A 37 0.160 -12.704 -0.784 1.00 63.31 H new ATOM 0 HE2 LYS A 37 -1.897 -13.388 0.160 1.00 23.55 H new ATOM 0 HE3 LYS A 37 -2.286 -11.915 -0.705 1.00 23.55 H new ATOM 0 HZ1 LYS A 37 -3.919 -13.631 -1.117 1.00 54.11 H new ATOM 0 HZ2 LYS A 37 -3.102 -13.250 -2.556 1.00 54.11 H new ATOM 0 HZ3 LYS A 37 -2.724 -14.678 -1.718 1.00 54.11 H new ATOM 607 N GLU A 38 3.005 -13.941 -2.021 1.00 64.34 N ATOM 608 CA GLU A 38 3.374 -14.963 -1.023 1.00 72.45 C ATOM 609 C GLU A 38 4.518 -14.449 -0.127 1.00 30.22 C ATOM 610 O GLU A 38 4.509 -14.647 1.092 1.00 42.20 O ATOM 611 CB GLU A 38 3.796 -16.277 -1.727 1.00 44.14 C ATOM 612 CG GLU A 38 2.738 -16.856 -2.687 1.00 22.32 C ATOM 613 CD GLU A 38 3.232 -18.123 -3.408 1.00 24.11 C ATOM 614 OE1 GLU A 38 3.939 -17.996 -4.437 1.00 44.23 O ATOM 615 OE2 GLU A 38 2.928 -19.245 -2.945 1.00 53.52 O ATOM 0 H GLU A 38 3.127 -14.247 -2.986 1.00 64.34 H new ATOM 0 HA GLU A 38 2.504 -15.166 -0.398 1.00 72.45 H new ATOM 0 HB2 GLU A 38 4.715 -16.096 -2.285 1.00 44.14 H new ATOM 0 HB3 GLU A 38 4.026 -17.024 -0.967 1.00 44.14 H new ATOM 0 HG2 GLU A 38 1.832 -17.089 -2.127 1.00 22.32 H new ATOM 0 HG3 GLU A 38 2.470 -16.101 -3.426 1.00 22.32 H new ATOM 622 N LYS A 39 5.472 -13.745 -0.762 1.00 23.54 N ATOM 623 CA LYS A 39 6.626 -13.156 -0.073 1.00 50.25 C ATOM 624 C LYS A 39 6.230 -11.909 0.736 1.00 73.20 C ATOM 625 O LYS A 39 6.910 -11.593 1.698 1.00 44.13 O ATOM 626 CB LYS A 39 7.752 -12.795 -1.079 1.00 31.13 C ATOM 627 CG LYS A 39 8.332 -13.998 -1.860 1.00 41.23 C ATOM 628 CD LYS A 39 9.532 -13.596 -2.755 1.00 71.41 C ATOM 629 CE LYS A 39 10.719 -13.048 -1.946 1.00 25.44 C ATOM 630 NZ LYS A 39 11.870 -12.674 -2.814 1.00 62.30 N ATOM 0 H LYS A 39 5.461 -13.570 -1.767 1.00 23.54 H new ATOM 0 HA LYS A 39 7.000 -13.909 0.621 1.00 50.25 H new ATOM 0 HB2 LYS A 39 7.363 -12.069 -1.793 1.00 31.13 H new ATOM 0 HB3 LYS A 39 8.562 -12.307 -0.537 1.00 31.13 H new ATOM 0 HG2 LYS A 39 8.649 -14.767 -1.155 1.00 41.23 H new ATOM 0 HG3 LYS A 39 7.550 -14.437 -2.480 1.00 41.23 H new ATOM 0 HD2 LYS A 39 9.858 -14.463 -3.329 1.00 71.41 H new ATOM 0 HD3 LYS A 39 9.208 -12.842 -3.473 1.00 71.41 H new ATOM 0 HE2 LYS A 39 10.397 -12.175 -1.378 1.00 25.44 H new ATOM 0 HE3 LYS A 39 11.040 -13.798 -1.223 1.00 25.44 H new ATOM 0 HZ1 LYS A 39 12.646 -12.310 -2.224 1.00 62.30 H new ATOM 0 HZ2 LYS A 39 12.196 -13.511 -3.337 1.00 62.30 H new ATOM 0 HZ3 LYS A 39 11.573 -11.939 -3.487 1.00 62.30 H new ATOM 644 N VAL A 40 5.130 -11.211 0.351 1.00 53.44 N ATOM 645 CA VAL A 40 4.676 -9.991 1.056 1.00 34.15 C ATOM 646 C VAL A 40 4.344 -10.313 2.524 1.00 33.42 C ATOM 647 O VAL A 40 4.648 -9.533 3.419 1.00 34.41 O ATOM 648 CB VAL A 40 3.425 -9.310 0.385 1.00 31.54 C ATOM 649 CG1 VAL A 40 2.974 -8.086 1.202 1.00 24.42 C ATOM 650 CG2 VAL A 40 3.703 -8.905 -1.076 1.00 41.04 C ATOM 0 H VAL A 40 4.545 -11.474 -0.442 1.00 53.44 H new ATOM 0 HA VAL A 40 5.504 -9.284 0.996 1.00 34.15 H new ATOM 0 HB VAL A 40 2.622 -10.047 0.374 1.00 31.54 H new ATOM 0 HG11 VAL A 40 2.108 -7.628 0.723 1.00 24.42 H new ATOM 0 HG12 VAL A 40 2.707 -8.400 2.211 1.00 24.42 H new ATOM 0 HG13 VAL A 40 3.787 -7.362 1.251 1.00 24.42 H new ATOM 0 HG21 VAL A 40 2.813 -8.439 -1.500 1.00 41.04 H new ATOM 0 HG22 VAL A 40 4.532 -8.198 -1.106 1.00 41.04 H new ATOM 0 HG23 VAL A 40 3.960 -9.791 -1.657 1.00 41.04 H new ATOM 660 N LYS A 41 3.742 -11.490 2.741 1.00 23.31 N ATOM 661 CA LYS A 41 3.459 -12.029 4.077 1.00 50.32 C ATOM 662 C LYS A 41 4.755 -12.120 4.925 1.00 71.51 C ATOM 663 O LYS A 41 4.760 -11.772 6.113 1.00 64.15 O ATOM 664 CB LYS A 41 2.791 -13.417 3.927 1.00 72.35 C ATOM 665 CG LYS A 41 2.550 -14.154 5.255 1.00 1.12 C ATOM 666 CD LYS A 41 1.985 -15.580 5.073 1.00 71.04 C ATOM 667 CE LYS A 41 1.844 -16.314 6.418 1.00 71.04 C ATOM 668 NZ LYS A 41 1.333 -17.702 6.256 1.00 42.41 N ATOM 0 H LYS A 41 3.434 -12.101 1.985 1.00 23.31 H new ATOM 0 HA LYS A 41 2.779 -11.358 4.602 1.00 50.32 H new ATOM 0 HB2 LYS A 41 1.836 -13.294 3.416 1.00 72.35 H new ATOM 0 HB3 LYS A 41 3.417 -14.040 3.288 1.00 72.35 H new ATOM 0 HG2 LYS A 41 3.489 -14.211 5.806 1.00 1.12 H new ATOM 0 HG3 LYS A 41 1.858 -13.572 5.864 1.00 1.12 H new ATOM 0 HD2 LYS A 41 1.012 -15.526 4.585 1.00 71.04 H new ATOM 0 HD3 LYS A 41 2.641 -16.150 4.415 1.00 71.04 H new ATOM 0 HE2 LYS A 41 2.813 -16.342 6.917 1.00 71.04 H new ATOM 0 HE3 LYS A 41 1.169 -15.754 7.065 1.00 71.04 H new ATOM 0 HZ1 LYS A 41 1.255 -18.155 7.189 1.00 42.41 H new ATOM 0 HZ2 LYS A 41 0.396 -17.677 5.805 1.00 42.41 H new ATOM 0 HZ3 LYS A 41 1.990 -18.246 5.661 1.00 42.41 H new ATOM 682 N GLU A 42 5.851 -12.551 4.272 1.00 25.31 N ATOM 683 CA GLU A 42 7.192 -12.623 4.883 1.00 14.42 C ATOM 684 C GLU A 42 7.735 -11.203 5.146 1.00 4.03 C ATOM 685 O GLU A 42 8.370 -10.953 6.167 1.00 42.31 O ATOM 686 CB GLU A 42 8.163 -13.400 3.946 1.00 14.13 C ATOM 687 CG GLU A 42 7.669 -14.793 3.500 1.00 32.12 C ATOM 688 CD GLU A 42 7.475 -15.781 4.663 1.00 43.15 C ATOM 689 OE1 GLU A 42 8.480 -16.372 5.125 1.00 51.32 O ATOM 690 OE2 GLU A 42 6.322 -15.983 5.114 1.00 13.42 O ATOM 0 H GLU A 42 5.831 -12.861 3.300 1.00 25.31 H new ATOM 0 HA GLU A 42 7.117 -13.152 5.833 1.00 14.42 H new ATOM 0 HB2 GLU A 42 8.347 -12.796 3.058 1.00 14.13 H new ATOM 0 HB3 GLU A 42 9.119 -13.517 4.456 1.00 14.13 H new ATOM 0 HG2 GLU A 42 6.724 -14.681 2.969 1.00 32.12 H new ATOM 0 HG3 GLU A 42 8.384 -15.213 2.793 1.00 32.12 H new ATOM 697 N GLU A 43 7.443 -10.273 4.216 1.00 43.40 N ATOM 698 CA GLU A 43 7.921 -8.876 4.277 1.00 60.12 C ATOM 699 C GLU A 43 7.253 -8.092 5.427 1.00 30.01 C ATOM 700 O GLU A 43 7.881 -7.222 6.044 1.00 51.44 O ATOM 701 CB GLU A 43 7.653 -8.170 2.923 1.00 23.42 C ATOM 702 CG GLU A 43 8.360 -8.800 1.707 1.00 44.31 C ATOM 703 CD GLU A 43 9.890 -8.793 1.815 1.00 62.22 C ATOM 704 OE1 GLU A 43 10.504 -7.738 1.539 1.00 14.52 O ATOM 705 OE2 GLU A 43 10.492 -9.831 2.172 1.00 64.21 O ATOM 0 H GLU A 43 6.867 -10.469 3.398 1.00 43.40 H new ATOM 0 HA GLU A 43 8.993 -8.897 4.473 1.00 60.12 H new ATOM 0 HB2 GLU A 43 6.579 -8.168 2.738 1.00 23.42 H new ATOM 0 HB3 GLU A 43 7.964 -7.129 3.006 1.00 23.42 H new ATOM 0 HG2 GLU A 43 8.017 -9.828 1.590 1.00 44.31 H new ATOM 0 HG3 GLU A 43 8.065 -8.261 0.806 1.00 44.31 H new ATOM 712 N ILE A 44 5.972 -8.412 5.688 1.00 2.42 N ATOM 713 CA ILE A 44 5.186 -7.847 6.798 1.00 55.31 C ATOM 714 C ILE A 44 5.702 -8.412 8.129 1.00 62.25 C ATOM 715 O ILE A 44 5.835 -7.686 9.114 1.00 15.24 O ATOM 716 CB ILE A 44 3.654 -8.184 6.634 1.00 5.11 C ATOM 717 CG1 ILE A 44 3.072 -7.525 5.347 1.00 53.12 C ATOM 718 CG2 ILE A 44 2.833 -7.782 7.892 1.00 75.43 C ATOM 719 CD1 ILE A 44 1.628 -7.890 5.064 1.00 30.31 C ATOM 0 H ILE A 44 5.447 -9.081 5.124 1.00 2.42 H new ATOM 0 HA ILE A 44 5.300 -6.763 6.788 1.00 55.31 H new ATOM 0 HB ILE A 44 3.569 -9.266 6.529 1.00 5.11 H new ATOM 0 HG12 ILE A 44 3.150 -6.442 5.439 1.00 53.12 H new ATOM 0 HG13 ILE A 44 3.684 -7.818 4.493 1.00 53.12 H new ATOM 0 HG21 ILE A 44 1.783 -8.032 7.737 1.00 75.43 H new ATOM 0 HG22 ILE A 44 3.210 -8.323 8.760 1.00 75.43 H new ATOM 0 HG23 ILE A 44 2.930 -6.710 8.062 1.00 75.43 H new ATOM 0 HD11 ILE A 44 1.299 -7.391 4.153 1.00 30.31 H new ATOM 0 HD12 ILE A 44 1.544 -8.969 4.938 1.00 30.31 H new ATOM 0 HD13 ILE A 44 1.002 -7.572 5.898 1.00 30.31 H new ATOM 731 N GLU A 45 6.009 -9.722 8.111 1.00 43.21 N ATOM 732 CA GLU A 45 6.574 -10.456 9.257 1.00 0.13 C ATOM 733 C GLU A 45 7.909 -9.799 9.687 1.00 13.31 C ATOM 734 O GLU A 45 8.176 -9.618 10.879 1.00 75.42 O ATOM 735 CB GLU A 45 6.726 -11.954 8.836 1.00 14.23 C ATOM 736 CG GLU A 45 7.078 -12.977 9.945 1.00 51.42 C ATOM 737 CD GLU A 45 8.535 -12.911 10.440 1.00 32.53 C ATOM 738 OE1 GLU A 45 9.455 -13.165 9.639 1.00 32.35 O ATOM 739 OE2 GLU A 45 8.766 -12.587 11.623 1.00 12.11 O ATOM 0 H GLU A 45 5.869 -10.308 7.288 1.00 43.21 H new ATOM 0 HA GLU A 45 5.921 -10.415 10.129 1.00 0.13 H new ATOM 0 HB2 GLU A 45 5.791 -12.269 8.372 1.00 14.23 H new ATOM 0 HB3 GLU A 45 7.498 -12.011 8.069 1.00 14.23 H new ATOM 0 HG2 GLU A 45 6.412 -12.817 10.793 1.00 51.42 H new ATOM 0 HG3 GLU A 45 6.881 -13.981 9.570 1.00 51.42 H new ATOM 746 N LYS A 46 8.698 -9.390 8.682 1.00 50.42 N ATOM 747 CA LYS A 46 9.960 -8.655 8.870 1.00 61.41 C ATOM 748 C LYS A 46 9.708 -7.213 9.362 1.00 63.22 C ATOM 749 O LYS A 46 10.454 -6.707 10.207 1.00 32.42 O ATOM 750 CB LYS A 46 10.750 -8.665 7.534 1.00 4.04 C ATOM 751 CG LYS A 46 11.326 -10.059 7.156 1.00 13.12 C ATOM 752 CD LYS A 46 11.689 -10.187 5.652 1.00 45.03 C ATOM 753 CE LYS A 46 12.672 -9.116 5.157 1.00 32.45 C ATOM 754 NZ LYS A 46 13.008 -9.304 3.719 1.00 51.24 N ATOM 0 H LYS A 46 8.475 -9.562 7.702 1.00 50.42 H new ATOM 0 HA LYS A 46 10.550 -9.149 9.642 1.00 61.41 H new ATOM 0 HB2 LYS A 46 10.095 -8.324 6.733 1.00 4.04 H new ATOM 0 HB3 LYS A 46 11.570 -7.950 7.602 1.00 4.04 H new ATOM 0 HG2 LYS A 46 12.216 -10.251 7.755 1.00 13.12 H new ATOM 0 HG3 LYS A 46 10.597 -10.827 7.413 1.00 13.12 H new ATOM 0 HD2 LYS A 46 12.120 -11.172 5.475 1.00 45.03 H new ATOM 0 HD3 LYS A 46 10.775 -10.128 5.061 1.00 45.03 H new ATOM 0 HE2 LYS A 46 12.238 -8.127 5.304 1.00 32.45 H new ATOM 0 HE3 LYS A 46 13.584 -9.155 5.753 1.00 32.45 H new ATOM 0 HZ1 LYS A 46 13.459 -8.442 3.352 1.00 51.24 H new ATOM 0 HZ2 LYS A 46 13.662 -10.106 3.617 1.00 51.24 H new ATOM 0 HZ3 LYS A 46 12.139 -9.496 3.182 1.00 51.24 H new ATOM 768 N ALA A 47 8.640 -6.576 8.842 1.00 12.12 N ATOM 769 CA ALA A 47 8.250 -5.194 9.213 1.00 70.23 C ATOM 770 C ALA A 47 7.837 -5.092 10.693 1.00 21.04 C ATOM 771 O ALA A 47 7.998 -4.032 11.308 1.00 20.04 O ATOM 772 CB ALA A 47 7.129 -4.691 8.293 1.00 71.14 C ATOM 0 H ALA A 47 8.021 -7.002 8.152 1.00 12.12 H new ATOM 0 HA ALA A 47 9.123 -4.555 9.081 1.00 70.23 H new ATOM 0 HB1 ALA A 47 6.853 -3.676 8.577 1.00 71.14 H new ATOM 0 HB2 ALA A 47 7.476 -4.697 7.260 1.00 71.14 H new ATOM 0 HB3 ALA A 47 6.261 -5.343 8.388 1.00 71.14 H new ATOM 778 N ARG A 48 7.290 -6.203 11.246 1.00 51.23 N ATOM 779 CA ARG A 48 6.959 -6.314 12.686 1.00 41.44 C ATOM 780 C ARG A 48 8.228 -6.095 13.539 1.00 73.45 C ATOM 781 O ARG A 48 8.243 -5.283 14.473 1.00 44.31 O ATOM 782 CB ARG A 48 6.386 -7.722 13.030 1.00 75.54 C ATOM 783 CG ARG A 48 5.187 -8.196 12.188 1.00 11.11 C ATOM 784 CD ARG A 48 4.668 -9.572 12.639 1.00 2.53 C ATOM 785 NE ARG A 48 5.735 -10.581 12.794 1.00 32.45 N ATOM 786 CZ ARG A 48 5.567 -11.804 13.340 1.00 41.44 C ATOM 787 NH1 ARG A 48 4.373 -12.211 13.785 1.00 24.32 N ATOM 788 NH2 ARG A 48 6.605 -12.614 13.462 1.00 41.25 N ATOM 0 H ARG A 48 7.068 -7.041 10.709 1.00 51.23 H new ATOM 0 HA ARG A 48 6.209 -5.554 12.906 1.00 41.44 H new ATOM 0 HB2 ARG A 48 7.188 -8.453 12.925 1.00 75.54 H new ATOM 0 HB3 ARG A 48 6.089 -7.723 14.079 1.00 75.54 H new ATOM 0 HG2 ARG A 48 4.382 -7.464 12.261 1.00 11.11 H new ATOM 0 HG3 ARG A 48 5.479 -8.246 11.139 1.00 11.11 H new ATOM 0 HD2 ARG A 48 4.143 -9.461 13.588 1.00 2.53 H new ATOM 0 HD3 ARG A 48 3.940 -9.933 11.913 1.00 2.53 H new ATOM 0 HE ARG A 48 6.668 -10.336 12.464 1.00 32.45 H new ATOM 0 HH11 ARG A 48 3.565 -11.592 13.715 1.00 24.32 H new ATOM 0 HH12 ARG A 48 4.271 -13.140 14.194 1.00 24.32 H new ATOM 0 HH21 ARG A 48 7.527 -12.313 13.144 1.00 41.25 H new ATOM 0 HH22 ARG A 48 6.484 -13.539 13.874 1.00 41.25 H new ATOM 802 N LYS A 49 9.290 -6.836 13.158 1.00 64.44 N ATOM 803 CA LYS A 49 10.593 -6.844 13.857 1.00 45.55 C ATOM 804 C LYS A 49 11.284 -5.473 13.716 1.00 22.42 C ATOM 805 O LYS A 49 11.923 -4.994 14.659 1.00 71.52 O ATOM 806 CB LYS A 49 11.469 -8.010 13.277 1.00 3.34 C ATOM 807 CG LYS A 49 12.758 -8.404 14.069 1.00 51.25 C ATOM 808 CD LYS A 49 13.970 -7.482 13.787 1.00 25.34 C ATOM 809 CE LYS A 49 15.253 -7.918 14.514 1.00 45.32 C ATOM 810 NZ LYS A 49 15.089 -7.942 15.989 1.00 2.12 N ATOM 0 H LYS A 49 9.266 -7.453 12.346 1.00 64.44 H new ATOM 0 HA LYS A 49 10.450 -7.017 14.924 1.00 45.55 H new ATOM 0 HB2 LYS A 49 10.839 -8.896 13.196 1.00 3.34 H new ATOM 0 HB3 LYS A 49 11.766 -7.737 12.265 1.00 3.34 H new ATOM 0 HG2 LYS A 49 12.538 -8.383 15.136 1.00 51.25 H new ATOM 0 HG3 LYS A 49 13.028 -9.430 13.819 1.00 51.25 H new ATOM 0 HD2 LYS A 49 14.159 -7.461 12.714 1.00 25.34 H new ATOM 0 HD3 LYS A 49 13.720 -6.464 14.086 1.00 25.34 H new ATOM 0 HE2 LYS A 49 15.544 -8.910 14.168 1.00 45.32 H new ATOM 0 HE3 LYS A 49 16.064 -7.238 14.253 1.00 45.32 H new ATOM 0 HZ1 LYS A 49 15.999 -8.176 16.436 1.00 2.12 H new ATOM 0 HZ2 LYS A 49 14.772 -7.008 16.318 1.00 2.12 H new ATOM 0 HZ3 LYS A 49 14.382 -8.659 16.248 1.00 2.12 H new ATOM 824 N GLN A 50 11.121 -4.840 12.535 1.00 24.11 N ATOM 825 CA GLN A 50 11.741 -3.531 12.251 1.00 41.43 C ATOM 826 C GLN A 50 10.938 -2.377 12.879 1.00 60.23 C ATOM 827 O GLN A 50 11.504 -1.311 13.138 1.00 2.33 O ATOM 828 CB GLN A 50 11.835 -3.305 10.714 1.00 72.10 C ATOM 829 CG GLN A 50 12.731 -4.297 9.945 1.00 52.30 C ATOM 830 CD GLN A 50 14.194 -4.287 10.400 1.00 5.23 C ATOM 831 OE1 GLN A 50 15.010 -3.504 9.902 1.00 72.45 O ATOM 832 NE2 GLN A 50 14.546 -5.174 11.318 1.00 13.24 N ATOM 0 H GLN A 50 10.566 -5.214 11.765 1.00 24.11 H new ATOM 0 HA GLN A 50 12.739 -3.540 12.690 1.00 41.43 H new ATOM 0 HB2 GLN A 50 10.829 -3.353 10.296 1.00 72.10 H new ATOM 0 HB3 GLN A 50 12.206 -2.296 10.536 1.00 72.10 H new ATOM 0 HG2 GLN A 50 12.330 -5.303 10.065 1.00 52.30 H new ATOM 0 HG3 GLN A 50 12.689 -4.061 8.882 1.00 52.30 H new ATOM 0 HE21 GLN A 50 13.848 -5.807 11.710 1.00 13.24 H new ATOM 0 HE22 GLN A 50 15.515 -5.225 11.633 1.00 13.24 H new ATOM 841 N GLY A 51 9.637 -2.622 13.170 1.00 72.31 N ATOM 842 CA GLY A 51 8.717 -1.572 13.640 1.00 5.21 C ATOM 843 C GLY A 51 8.622 -0.364 12.692 1.00 54.45 C ATOM 844 O GLY A 51 8.310 0.747 13.122 1.00 5.24 O ATOM 0 H GLY A 51 9.206 -3.542 13.085 1.00 72.31 H new ATOM 0 HA2 GLY A 51 7.723 -2.002 13.767 1.00 5.21 H new ATOM 0 HA3 GLY A 51 9.043 -1.228 14.621 1.00 5.21 H new ATOM 848 N ARG A 52 8.882 -0.598 11.394 1.00 55.44 N ATOM 849 CA ARG A 52 8.979 0.468 10.369 1.00 11.21 C ATOM 850 C ARG A 52 7.878 0.290 9.308 1.00 30.21 C ATOM 851 O ARG A 52 7.304 -0.807 9.188 1.00 53.10 O ATOM 852 CB ARG A 52 10.380 0.449 9.679 1.00 31.51 C ATOM 853 CG ARG A 52 11.566 0.769 10.616 1.00 20.34 C ATOM 854 CD ARG A 52 12.913 0.810 9.875 1.00 44.52 C ATOM 855 NE ARG A 52 14.054 0.901 10.801 1.00 24.33 N ATOM 856 CZ ARG A 52 14.933 1.910 10.876 1.00 60.23 C ATOM 857 NH1 ARG A 52 14.831 2.961 10.074 1.00 3.33 N ATOM 858 NH2 ARG A 52 15.921 1.864 11.758 1.00 34.30 N ATOM 0 H ARG A 52 9.032 -1.535 11.020 1.00 55.44 H new ATOM 0 HA ARG A 52 8.847 1.428 10.867 1.00 11.21 H new ATOM 0 HB2 ARG A 52 10.539 -0.535 9.237 1.00 31.51 H new ATOM 0 HB3 ARG A 52 10.377 1.169 8.861 1.00 31.51 H new ATOM 0 HG2 ARG A 52 11.393 1.730 11.100 1.00 20.34 H new ATOM 0 HG3 ARG A 52 11.613 0.019 11.405 1.00 20.34 H new ATOM 0 HD2 ARG A 52 13.016 -0.085 9.261 1.00 44.52 H new ATOM 0 HD3 ARG A 52 12.928 1.664 9.198 1.00 44.52 H new ATOM 0 HE ARG A 52 14.188 0.123 11.446 1.00 24.33 H new ATOM 0 HH11 ARG A 52 14.077 3.009 9.389 1.00 3.33 H new ATOM 0 HH12 ARG A 52 15.507 3.722 10.142 1.00 3.33 H new ATOM 0 HH21 ARG A 52 16.013 1.061 12.380 1.00 34.30 H new ATOM 0 HH22 ARG A 52 16.590 2.632 11.815 1.00 34.30 H new ATOM 872 N PRO A 53 7.542 1.374 8.536 1.00 15.11 N ATOM 873 CA PRO A 53 6.688 1.254 7.341 1.00 24.41 C ATOM 874 C PRO A 53 7.366 0.439 6.217 1.00 53.41 C ATOM 875 O PRO A 53 8.602 0.383 6.121 1.00 51.44 O ATOM 876 CB PRO A 53 6.438 2.720 6.914 1.00 1.12 C ATOM 877 CG PRO A 53 7.598 3.477 7.484 1.00 62.02 C ATOM 878 CD PRO A 53 7.908 2.801 8.799 1.00 71.03 C ATOM 0 HA PRO A 53 5.764 0.713 7.549 1.00 24.41 H new ATOM 0 HB2 PRO A 53 6.395 2.816 5.829 1.00 1.12 H new ATOM 0 HB3 PRO A 53 5.491 3.092 7.304 1.00 1.12 H new ATOM 0 HG2 PRO A 53 8.457 3.445 6.813 1.00 62.02 H new ATOM 0 HG3 PRO A 53 7.348 4.528 7.631 1.00 62.02 H new ATOM 0 HD2 PRO A 53 8.959 2.905 9.069 1.00 71.03 H new ATOM 0 HD3 PRO A 53 7.325 3.223 9.618 1.00 71.03 H new ATOM 886 N ILE A 54 6.532 -0.192 5.389 1.00 32.14 N ATOM 887 CA ILE A 54 6.961 -0.932 4.207 1.00 41.01 C ATOM 888 C ILE A 54 5.882 -0.762 3.131 1.00 3.14 C ATOM 889 O ILE A 54 4.688 -0.905 3.411 1.00 12.41 O ATOM 890 CB ILE A 54 7.223 -2.459 4.516 1.00 64.42 C ATOM 891 CG1 ILE A 54 7.743 -3.192 3.237 1.00 31.05 C ATOM 892 CG2 ILE A 54 5.967 -3.167 5.097 1.00 50.25 C ATOM 893 CD1 ILE A 54 8.159 -4.630 3.457 1.00 22.40 C ATOM 0 H ILE A 54 5.521 -0.202 5.526 1.00 32.14 H new ATOM 0 HA ILE A 54 7.914 -0.533 3.859 1.00 41.01 H new ATOM 0 HB ILE A 54 7.994 -2.510 5.285 1.00 64.42 H new ATOM 0 HG12 ILE A 54 6.962 -3.166 2.477 1.00 31.05 H new ATOM 0 HG13 ILE A 54 8.594 -2.639 2.838 1.00 31.05 H new ATOM 0 HG21 ILE A 54 6.198 -4.214 5.293 1.00 50.25 H new ATOM 0 HG22 ILE A 54 5.672 -2.680 6.027 1.00 50.25 H new ATOM 0 HG23 ILE A 54 5.149 -3.104 4.379 1.00 50.25 H new ATOM 0 HD11 ILE A 54 8.505 -5.057 2.516 1.00 22.40 H new ATOM 0 HD12 ILE A 54 8.964 -4.668 4.190 1.00 22.40 H new ATOM 0 HD13 ILE A 54 7.307 -5.203 3.824 1.00 22.40 H new ATOM 905 N VAL A 55 6.298 -0.415 1.915 1.00 73.42 N ATOM 906 CA VAL A 55 5.377 -0.198 0.798 1.00 20.40 C ATOM 907 C VAL A 55 5.294 -1.475 -0.040 1.00 21.30 C ATOM 908 O VAL A 55 6.305 -2.122 -0.311 1.00 52.21 O ATOM 909 CB VAL A 55 5.826 1.011 -0.094 1.00 61.35 C ATOM 910 CG1 VAL A 55 4.786 1.312 -1.194 1.00 32.33 C ATOM 911 CG2 VAL A 55 6.090 2.253 0.779 1.00 24.23 C ATOM 0 H VAL A 55 7.280 -0.276 1.675 1.00 73.42 H new ATOM 0 HA VAL A 55 4.394 0.044 1.202 1.00 20.40 H new ATOM 0 HB VAL A 55 6.757 0.740 -0.593 1.00 61.35 H new ATOM 0 HG11 VAL A 55 5.126 2.155 -1.795 1.00 32.33 H new ATOM 0 HG12 VAL A 55 4.667 0.436 -1.832 1.00 32.33 H new ATOM 0 HG13 VAL A 55 3.829 1.558 -0.733 1.00 32.33 H new ATOM 0 HG21 VAL A 55 6.401 3.084 0.145 1.00 24.23 H new ATOM 0 HG22 VAL A 55 5.178 2.524 1.311 1.00 24.23 H new ATOM 0 HG23 VAL A 55 6.878 2.031 1.499 1.00 24.23 H new ATOM 921 N VAL A 56 4.071 -1.842 -0.404 1.00 11.50 N ATOM 922 CA VAL A 56 3.769 -3.019 -1.207 1.00 20.55 C ATOM 923 C VAL A 56 2.821 -2.581 -2.315 1.00 20.25 C ATOM 924 O VAL A 56 1.670 -2.222 -2.048 1.00 54.13 O ATOM 925 CB VAL A 56 3.088 -4.156 -0.357 1.00 62.32 C ATOM 926 CG1 VAL A 56 2.756 -5.378 -1.243 1.00 41.31 C ATOM 927 CG2 VAL A 56 3.963 -4.557 0.860 1.00 65.33 C ATOM 0 H VAL A 56 3.239 -1.314 -0.141 1.00 11.50 H new ATOM 0 HA VAL A 56 4.698 -3.428 -1.605 1.00 20.55 H new ATOM 0 HB VAL A 56 2.151 -3.764 0.037 1.00 62.32 H new ATOM 0 HG11 VAL A 56 2.286 -6.151 -0.635 1.00 41.31 H new ATOM 0 HG12 VAL A 56 2.074 -5.077 -2.038 1.00 41.31 H new ATOM 0 HG13 VAL A 56 3.674 -5.769 -1.682 1.00 41.31 H new ATOM 0 HG21 VAL A 56 3.463 -5.344 1.424 1.00 65.33 H new ATOM 0 HG22 VAL A 56 4.929 -4.920 0.510 1.00 65.33 H new ATOM 0 HG23 VAL A 56 4.113 -3.689 1.502 1.00 65.33 H new ATOM 937 N PHE A 57 3.315 -2.575 -3.547 1.00 12.44 N ATOM 938 CA PHE A 57 2.514 -2.245 -4.712 1.00 61.13 C ATOM 939 C PHE A 57 1.707 -3.482 -5.129 1.00 54.34 C ATOM 940 O PHE A 57 2.262 -4.477 -5.597 1.00 74.53 O ATOM 941 CB PHE A 57 3.431 -1.725 -5.841 1.00 64.22 C ATOM 942 CG PHE A 57 4.204 -0.469 -5.430 1.00 32.10 C ATOM 943 CD1 PHE A 57 3.525 0.729 -5.195 1.00 41.44 C ATOM 944 CD2 PHE A 57 5.586 -0.487 -5.245 1.00 34.41 C ATOM 945 CE1 PHE A 57 4.204 1.866 -4.800 1.00 74.14 C ATOM 946 CE2 PHE A 57 6.263 0.653 -4.856 1.00 73.15 C ATOM 947 CZ PHE A 57 5.571 1.827 -4.626 1.00 33.41 C ATOM 0 H PHE A 57 4.286 -2.800 -3.764 1.00 12.44 H new ATOM 0 HA PHE A 57 1.806 -1.449 -4.483 1.00 61.13 H new ATOM 0 HB2 PHE A 57 4.136 -2.507 -6.122 1.00 64.22 H new ATOM 0 HB3 PHE A 57 2.829 -1.506 -6.723 1.00 64.22 H new ATOM 0 HD1 PHE A 57 2.453 0.767 -5.324 1.00 41.44 H new ATOM 0 HD2 PHE A 57 6.134 -1.403 -5.408 1.00 34.41 H new ATOM 0 HE1 PHE A 57 3.664 2.785 -4.628 1.00 74.14 H new ATOM 0 HE2 PHE A 57 7.335 0.627 -4.731 1.00 73.15 H new ATOM 0 HZ PHE A 57 6.101 2.713 -4.310 1.00 33.41 H new ATOM 957 N VAL A 58 0.400 -3.411 -4.866 1.00 41.12 N ATOM 958 CA VAL A 58 -0.588 -4.422 -5.260 1.00 74.35 C ATOM 959 C VAL A 58 -1.316 -3.894 -6.509 1.00 12.14 C ATOM 960 O VAL A 58 -1.370 -2.690 -6.729 1.00 70.14 O ATOM 961 CB VAL A 58 -1.615 -4.704 -4.087 1.00 12.01 C ATOM 962 CG1 VAL A 58 -2.628 -5.816 -4.464 1.00 41.01 C ATOM 963 CG2 VAL A 58 -0.877 -5.047 -2.766 1.00 74.11 C ATOM 0 H VAL A 58 -0.013 -2.628 -4.359 1.00 41.12 H new ATOM 0 HA VAL A 58 -0.092 -5.368 -5.479 1.00 74.35 H new ATOM 0 HB VAL A 58 -2.183 -3.787 -3.928 1.00 12.01 H new ATOM 0 HG11 VAL A 58 -3.315 -5.979 -3.633 1.00 41.01 H new ATOM 0 HG12 VAL A 58 -3.191 -5.511 -5.346 1.00 41.01 H new ATOM 0 HG13 VAL A 58 -2.091 -6.740 -4.678 1.00 41.01 H new ATOM 0 HG21 VAL A 58 -1.608 -5.236 -1.979 1.00 74.11 H new ATOM 0 HG22 VAL A 58 -0.264 -5.936 -2.912 1.00 74.11 H new ATOM 0 HG23 VAL A 58 -0.241 -4.211 -2.477 1.00 74.11 H new ATOM 973 N ARG A 59 -1.799 -4.793 -7.370 1.00 22.05 N ATOM 974 CA ARG A 59 -2.537 -4.409 -8.580 1.00 62.51 C ATOM 975 C ARG A 59 -3.965 -3.969 -8.189 1.00 51.20 C ATOM 976 O ARG A 59 -4.643 -4.670 -7.420 1.00 75.13 O ATOM 977 CB ARG A 59 -2.549 -5.606 -9.557 1.00 62.53 C ATOM 978 CG ARG A 59 -3.115 -5.320 -10.962 1.00 62.22 C ATOM 979 CD ARG A 59 -2.991 -6.548 -11.890 1.00 35.32 C ATOM 980 NE ARG A 59 -3.363 -6.252 -13.286 1.00 62.33 N ATOM 981 CZ ARG A 59 -2.803 -6.824 -14.372 1.00 72.14 C ATOM 982 NH1 ARG A 59 -1.825 -7.727 -14.235 1.00 61.41 N ATOM 983 NH2 ARG A 59 -3.222 -6.484 -15.590 1.00 71.43 N ATOM 0 H ARG A 59 -1.692 -5.800 -7.251 1.00 22.05 H new ATOM 0 HA ARG A 59 -2.056 -3.567 -9.078 1.00 62.51 H new ATOM 0 HB2 ARG A 59 -1.528 -5.973 -9.665 1.00 62.53 H new ATOM 0 HB3 ARG A 59 -3.131 -6.411 -9.108 1.00 62.53 H new ATOM 0 HG2 ARG A 59 -4.163 -5.030 -10.880 1.00 62.22 H new ATOM 0 HG3 ARG A 59 -2.585 -4.476 -11.403 1.00 62.22 H new ATOM 0 HD2 ARG A 59 -1.965 -6.916 -11.863 1.00 35.32 H new ATOM 0 HD3 ARG A 59 -3.627 -7.349 -11.512 1.00 35.32 H new ATOM 0 HE ARG A 59 -4.099 -5.563 -13.442 1.00 62.33 H new ATOM 0 HH11 ARG A 59 -1.498 -7.987 -13.305 1.00 61.41 H new ATOM 0 HH12 ARG A 59 -1.407 -8.155 -15.061 1.00 61.41 H new ATOM 0 HH21 ARG A 59 -3.964 -5.793 -15.700 1.00 71.43 H new ATOM 0 HH22 ARG A 59 -2.801 -6.915 -16.413 1.00 71.43 H new ATOM 997 N GLY A 60 -4.394 -2.796 -8.708 1.00 43.20 N ATOM 998 CA GLY A 60 -5.694 -2.194 -8.393 1.00 3.25 C ATOM 999 C GLY A 60 -6.844 -2.916 -9.093 1.00 0.55 C ATOM 1000 O GLY A 60 -7.401 -2.414 -10.074 1.00 12.02 O ATOM 0 H GLY A 60 -3.838 -2.243 -9.361 1.00 43.20 H new ATOM 0 HA2 GLY A 60 -5.853 -2.219 -7.315 1.00 3.25 H new ATOM 0 HA3 GLY A 60 -5.690 -1.145 -8.691 1.00 3.25 H new ATOM 1004 N GLY A 61 -7.164 -4.111 -8.588 1.00 31.33 N ATOM 1005 CA GLY A 61 -8.175 -4.994 -9.172 1.00 15.21 C ATOM 1006 C GLY A 61 -8.187 -6.337 -8.473 1.00 61.30 C ATOM 1007 O GLY A 61 -9.236 -6.986 -8.373 1.00 33.30 O ATOM 0 H GLY A 61 -6.723 -4.496 -7.753 1.00 31.33 H new ATOM 0 HA2 GLY A 61 -9.158 -4.530 -9.094 1.00 15.21 H new ATOM 0 HA3 GLY A 61 -7.972 -5.134 -10.234 1.00 15.21 H new ATOM 1011 N ASP A 62 -7.001 -6.754 -7.980 1.00 25.52 N ATOM 1012 CA ASP A 62 -6.855 -7.961 -7.160 1.00 34.03 C ATOM 1013 C ASP A 62 -7.404 -7.697 -5.753 1.00 12.23 C ATOM 1014 O ASP A 62 -6.670 -7.264 -4.856 1.00 34.04 O ATOM 1015 CB ASP A 62 -5.369 -8.415 -7.108 1.00 3.23 C ATOM 1016 CG ASP A 62 -4.914 -9.078 -8.412 1.00 54.15 C ATOM 1017 OD1 ASP A 62 -5.212 -10.269 -8.604 1.00 72.24 O ATOM 1018 OD2 ASP A 62 -4.272 -8.416 -9.249 1.00 20.45 O ATOM 0 H ASP A 62 -6.124 -6.260 -8.143 1.00 25.52 H new ATOM 0 HA ASP A 62 -7.429 -8.771 -7.611 1.00 34.03 H new ATOM 0 HB2 ASP A 62 -4.736 -7.552 -6.902 1.00 3.23 H new ATOM 0 HB3 ASP A 62 -5.234 -9.114 -6.282 1.00 3.23 H new ATOM 1023 N ASP A 63 -8.725 -7.898 -5.610 1.00 22.14 N ATOM 1024 CA ASP A 63 -9.432 -7.773 -4.330 1.00 32.01 C ATOM 1025 C ASP A 63 -8.873 -8.760 -3.304 1.00 1.01 C ATOM 1026 O ASP A 63 -8.529 -8.359 -2.189 1.00 41.25 O ATOM 1027 CB ASP A 63 -10.953 -8.013 -4.529 1.00 55.53 C ATOM 1028 CG ASP A 63 -11.730 -8.130 -3.198 1.00 33.14 C ATOM 1029 OD1 ASP A 63 -11.966 -7.090 -2.553 1.00 44.33 O ATOM 1030 OD2 ASP A 63 -12.099 -9.266 -2.786 1.00 64.44 O ATOM 0 H ASP A 63 -9.334 -8.154 -6.387 1.00 22.14 H new ATOM 0 HA ASP A 63 -9.281 -6.761 -3.953 1.00 32.01 H new ATOM 0 HB2 ASP A 63 -11.370 -7.194 -5.115 1.00 55.53 H new ATOM 0 HB3 ASP A 63 -11.098 -8.925 -5.108 1.00 55.53 H new ATOM 1035 N GLU A 64 -8.768 -10.047 -3.721 1.00 24.21 N ATOM 1036 CA GLU A 64 -8.352 -11.148 -2.842 1.00 42.12 C ATOM 1037 C GLU A 64 -6.919 -10.932 -2.337 1.00 20.34 C ATOM 1038 O GLU A 64 -6.688 -10.892 -1.134 1.00 64.10 O ATOM 1039 CB GLU A 64 -8.498 -12.524 -3.558 1.00 23.55 C ATOM 1040 CG GLU A 64 -8.310 -13.730 -2.615 1.00 14.34 C ATOM 1041 CD GLU A 64 -8.537 -15.089 -3.297 1.00 54.21 C ATOM 1042 OE1 GLU A 64 -7.576 -15.661 -3.850 1.00 65.23 O ATOM 1043 OE2 GLU A 64 -9.683 -15.592 -3.286 1.00 40.03 O ATOM 0 H GLU A 64 -8.971 -10.341 -4.676 1.00 24.21 H new ATOM 0 HA GLU A 64 -9.014 -11.156 -1.976 1.00 42.12 H new ATOM 0 HB2 GLU A 64 -9.484 -12.583 -4.018 1.00 23.55 H new ATOM 0 HB3 GLU A 64 -7.766 -12.585 -4.364 1.00 23.55 H new ATOM 0 HG2 GLU A 64 -7.301 -13.704 -2.203 1.00 14.34 H new ATOM 0 HG3 GLU A 64 -8.999 -13.635 -1.776 1.00 14.34 H new ATOM 1050 N ARG A 65 -5.986 -10.709 -3.273 1.00 53.35 N ATOM 1051 CA ARG A 65 -4.555 -10.558 -2.954 1.00 12.31 C ATOM 1052 C ARG A 65 -4.289 -9.326 -2.078 1.00 63.03 C ATOM 1053 O ARG A 65 -3.449 -9.383 -1.187 1.00 51.41 O ATOM 1054 CB ARG A 65 -3.718 -10.523 -4.262 1.00 63.25 C ATOM 1055 CG ARG A 65 -3.805 -11.851 -5.049 1.00 42.15 C ATOM 1056 CD ARG A 65 -2.970 -11.890 -6.339 1.00 51.52 C ATOM 1057 NE ARG A 65 -2.979 -13.253 -6.918 1.00 53.20 N ATOM 1058 CZ ARG A 65 -3.900 -13.756 -7.760 1.00 34.24 C ATOM 1059 NH1 ARG A 65 -4.932 -13.029 -8.177 1.00 71.04 N ATOM 1060 NH2 ARG A 65 -3.807 -15.027 -8.132 1.00 70.21 N ATOM 0 H ARG A 65 -6.198 -10.628 -4.268 1.00 53.35 H new ATOM 0 HA ARG A 65 -4.245 -11.424 -2.369 1.00 12.31 H new ATOM 0 HB2 ARG A 65 -4.068 -9.706 -4.893 1.00 63.25 H new ATOM 0 HB3 ARG A 65 -2.676 -10.315 -4.019 1.00 63.25 H new ATOM 0 HG2 ARG A 65 -3.482 -12.664 -4.399 1.00 42.15 H new ATOM 0 HG3 ARG A 65 -4.848 -12.040 -5.302 1.00 42.15 H new ATOM 0 HD2 ARG A 65 -3.371 -11.179 -7.061 1.00 51.52 H new ATOM 0 HD3 ARG A 65 -1.945 -11.585 -6.126 1.00 51.52 H new ATOM 0 HE ARG A 65 -2.212 -13.871 -6.653 1.00 53.20 H new ATOM 0 HH11 ARG A 65 -5.039 -12.066 -7.858 1.00 71.04 H new ATOM 0 HH12 ARG A 65 -5.616 -13.434 -8.816 1.00 71.04 H new ATOM 0 HH21 ARG A 65 -3.045 -15.607 -7.780 1.00 70.21 H new ATOM 0 HH22 ARG A 65 -4.497 -15.424 -8.770 1.00 70.21 H new ATOM 1074 N ALA A 66 -5.049 -8.242 -2.304 1.00 22.24 N ATOM 1075 CA ALA A 66 -4.961 -7.021 -1.479 1.00 42.05 C ATOM 1076 C ALA A 66 -5.435 -7.280 -0.041 1.00 31.22 C ATOM 1077 O ALA A 66 -4.740 -6.934 0.915 1.00 2.02 O ATOM 1078 CB ALA A 66 -5.786 -5.886 -2.105 1.00 32.24 C ATOM 0 H ALA A 66 -5.736 -8.185 -3.056 1.00 22.24 H new ATOM 0 HA ALA A 66 -3.913 -6.723 -1.444 1.00 42.05 H new ATOM 0 HB1 ALA A 66 -5.709 -4.994 -1.483 1.00 32.24 H new ATOM 0 HB2 ALA A 66 -5.405 -5.667 -3.102 1.00 32.24 H new ATOM 0 HB3 ALA A 66 -6.830 -6.191 -2.174 1.00 32.24 H new ATOM 1084 N LYS A 67 -6.613 -7.921 0.089 1.00 31.23 N ATOM 1085 CA LYS A 67 -7.308 -8.079 1.384 1.00 20.13 C ATOM 1086 C LYS A 67 -6.659 -9.152 2.267 1.00 23.21 C ATOM 1087 O LYS A 67 -6.763 -9.076 3.482 1.00 51.32 O ATOM 1088 CB LYS A 67 -8.814 -8.388 1.167 1.00 61.24 C ATOM 1089 CG LYS A 67 -9.135 -9.834 0.717 1.00 62.33 C ATOM 1090 CD LYS A 67 -10.611 -10.027 0.323 1.00 24.10 C ATOM 1091 CE LYS A 67 -10.934 -11.467 -0.102 1.00 73.32 C ATOM 1092 NZ LYS A 67 -12.311 -11.569 -0.645 1.00 74.42 N ATOM 0 H LYS A 67 -7.109 -8.343 -0.696 1.00 31.23 H new ATOM 0 HA LYS A 67 -7.216 -7.130 1.912 1.00 20.13 H new ATOM 0 HB2 LYS A 67 -9.347 -8.188 2.097 1.00 61.24 H new ATOM 0 HB3 LYS A 67 -9.206 -7.697 0.420 1.00 61.24 H new ATOM 0 HG2 LYS A 67 -8.501 -10.094 -0.131 1.00 62.33 H new ATOM 0 HG3 LYS A 67 -8.887 -10.523 1.524 1.00 62.33 H new ATOM 0 HD2 LYS A 67 -11.245 -9.751 1.165 1.00 24.10 H new ATOM 0 HD3 LYS A 67 -10.855 -9.349 -0.495 1.00 24.10 H new ATOM 0 HE2 LYS A 67 -10.218 -11.796 -0.855 1.00 73.32 H new ATOM 0 HE3 LYS A 67 -10.827 -12.134 0.753 1.00 73.32 H new ATOM 0 HZ1 LYS A 67 -12.467 -12.527 -1.017 1.00 74.42 H new ATOM 0 HZ2 LYS A 67 -12.998 -11.375 0.112 1.00 74.42 H new ATOM 0 HZ3 LYS A 67 -12.435 -10.876 -1.410 1.00 74.42 H new ATOM 1106 N ASP A 68 -6.020 -10.161 1.640 1.00 35.10 N ATOM 1107 CA ASP A 68 -5.306 -11.241 2.367 1.00 61.14 C ATOM 1108 C ASP A 68 -4.081 -10.672 3.088 1.00 3.12 C ATOM 1109 O ASP A 68 -3.827 -10.974 4.259 1.00 65.52 O ATOM 1110 CB ASP A 68 -4.849 -12.372 1.394 1.00 73.44 C ATOM 1111 CG ASP A 68 -5.989 -13.166 0.725 1.00 43.51 C ATOM 1112 OD1 ASP A 68 -7.088 -13.285 1.316 1.00 2.45 O ATOM 1113 OD2 ASP A 68 -5.764 -13.714 -0.384 1.00 73.14 O ATOM 0 H ASP A 68 -5.982 -10.254 0.625 1.00 35.10 H new ATOM 0 HA ASP A 68 -5.999 -11.665 3.094 1.00 61.14 H new ATOM 0 HB2 ASP A 68 -4.230 -11.929 0.614 1.00 73.44 H new ATOM 0 HB3 ASP A 68 -4.217 -13.069 1.945 1.00 73.44 H new ATOM 1118 N ILE A 69 -3.342 -9.836 2.348 1.00 13.32 N ATOM 1119 CA ILE A 69 -2.150 -9.136 2.838 1.00 23.33 C ATOM 1120 C ILE A 69 -2.548 -8.095 3.914 1.00 35.10 C ATOM 1121 O ILE A 69 -1.900 -7.989 4.963 1.00 42.51 O ATOM 1122 CB ILE A 69 -1.428 -8.438 1.626 1.00 23.52 C ATOM 1123 CG1 ILE A 69 -0.883 -9.487 0.599 1.00 60.23 C ATOM 1124 CG2 ILE A 69 -0.305 -7.512 2.102 1.00 34.44 C ATOM 1125 CD1 ILE A 69 -0.325 -8.879 -0.693 1.00 13.32 C ATOM 0 H ILE A 69 -3.560 -9.624 1.375 1.00 13.32 H new ATOM 0 HA ILE A 69 -1.466 -9.850 3.296 1.00 23.33 H new ATOM 0 HB ILE A 69 -2.174 -7.828 1.117 1.00 23.52 H new ATOM 0 HG12 ILE A 69 -0.099 -10.073 1.078 1.00 60.23 H new ATOM 0 HG13 ILE A 69 -1.686 -10.178 0.343 1.00 60.23 H new ATOM 0 HG21 ILE A 69 0.173 -7.046 1.240 1.00 34.44 H new ATOM 0 HG22 ILE A 69 -0.720 -6.739 2.748 1.00 34.44 H new ATOM 0 HG23 ILE A 69 0.433 -8.091 2.657 1.00 34.44 H new ATOM 0 HD11 ILE A 69 0.030 -9.676 -1.346 1.00 13.32 H new ATOM 0 HD12 ILE A 69 -1.110 -8.317 -1.199 1.00 13.32 H new ATOM 0 HD13 ILE A 69 0.502 -8.211 -0.453 1.00 13.32 H new ATOM 1137 N ALA A 70 -3.641 -7.358 3.630 1.00 61.31 N ATOM 1138 CA ALA A 70 -4.161 -6.289 4.498 1.00 1.25 C ATOM 1139 C ALA A 70 -4.677 -6.845 5.836 1.00 55.43 C ATOM 1140 O ALA A 70 -4.449 -6.249 6.897 1.00 3.11 O ATOM 1141 CB ALA A 70 -5.278 -5.532 3.760 1.00 2.55 C ATOM 0 H ALA A 70 -4.191 -7.492 2.782 1.00 61.31 H new ATOM 0 HA ALA A 70 -3.345 -5.603 4.728 1.00 1.25 H new ATOM 0 HB1 ALA A 70 -5.665 -4.740 4.401 1.00 2.55 H new ATOM 0 HB2 ALA A 70 -4.878 -5.096 2.844 1.00 2.55 H new ATOM 0 HB3 ALA A 70 -6.083 -6.223 3.511 1.00 2.55 H new ATOM 1147 N GLU A 71 -5.366 -7.999 5.761 1.00 31.42 N ATOM 1148 CA GLU A 71 -5.946 -8.664 6.931 1.00 20.44 C ATOM 1149 C GLU A 71 -4.841 -9.275 7.788 1.00 75.25 C ATOM 1150 O GLU A 71 -4.868 -9.135 9.005 1.00 73.20 O ATOM 1151 CB GLU A 71 -7.000 -9.723 6.497 1.00 10.43 C ATOM 1152 CG GLU A 71 -7.787 -10.347 7.658 1.00 72.54 C ATOM 1153 CD GLU A 71 -8.966 -11.222 7.210 1.00 55.42 C ATOM 1154 OE1 GLU A 71 -10.070 -10.677 7.005 1.00 72.24 O ATOM 1155 OE2 GLU A 71 -8.795 -12.449 7.071 1.00 3.15 O ATOM 0 H GLU A 71 -5.533 -8.493 4.884 1.00 31.42 H new ATOM 0 HA GLU A 71 -6.468 -7.925 7.539 1.00 20.44 H new ATOM 0 HB2 GLU A 71 -7.703 -9.257 5.807 1.00 10.43 H new ATOM 0 HB3 GLU A 71 -6.494 -10.518 5.948 1.00 10.43 H new ATOM 0 HG2 GLU A 71 -7.108 -10.950 8.262 1.00 72.54 H new ATOM 0 HG3 GLU A 71 -8.162 -9.550 8.300 1.00 72.54 H new ATOM 1162 N TYR A 72 -3.843 -9.896 7.127 1.00 23.23 N ATOM 1163 CA TYR A 72 -2.653 -10.453 7.804 1.00 22.54 C ATOM 1164 C TYR A 72 -1.949 -9.366 8.631 1.00 25.31 C ATOM 1165 O TYR A 72 -1.630 -9.574 9.802 1.00 61.14 O ATOM 1166 CB TYR A 72 -1.673 -11.073 6.767 1.00 42.03 C ATOM 1167 CG TYR A 72 -0.346 -11.582 7.366 1.00 14.53 C ATOM 1168 CD1 TYR A 72 -0.276 -12.779 8.085 1.00 34.05 C ATOM 1169 CD2 TYR A 72 0.835 -10.850 7.224 1.00 42.02 C ATOM 1170 CE1 TYR A 72 0.918 -13.220 8.630 1.00 43.45 C ATOM 1171 CE2 TYR A 72 2.024 -11.291 7.766 1.00 51.11 C ATOM 1172 CZ TYR A 72 2.062 -12.470 8.467 1.00 34.50 C ATOM 1173 OH TYR A 72 3.256 -12.905 9.001 1.00 65.44 O ATOM 0 H TYR A 72 -3.838 -10.025 6.115 1.00 23.23 H new ATOM 0 HA TYR A 72 -2.979 -11.243 8.480 1.00 22.54 H new ATOM 0 HB2 TYR A 72 -2.172 -11.902 6.265 1.00 42.03 H new ATOM 0 HB3 TYR A 72 -1.450 -10.326 6.005 1.00 42.03 H new ATOM 0 HD1 TYR A 72 -1.170 -13.371 8.218 1.00 34.05 H new ATOM 0 HD2 TYR A 72 0.817 -9.918 6.678 1.00 42.02 H new ATOM 0 HE1 TYR A 72 0.952 -14.148 9.181 1.00 43.45 H new ATOM 0 HE2 TYR A 72 2.925 -10.709 7.639 1.00 51.11 H new ATOM 0 HH TYR A 72 3.265 -13.885 9.026 1.00 65.44 H new ATOM 1183 N ALA A 73 -1.771 -8.187 8.008 1.00 62.33 N ATOM 1184 CA ALA A 73 -1.143 -7.024 8.644 1.00 15.35 C ATOM 1185 C ALA A 73 -1.950 -6.539 9.868 1.00 74.11 C ATOM 1186 O ALA A 73 -1.370 -6.182 10.901 1.00 64.12 O ATOM 1187 CB ALA A 73 -0.991 -5.901 7.617 1.00 65.51 C ATOM 0 H ALA A 73 -2.061 -8.018 7.045 1.00 62.33 H new ATOM 0 HA ALA A 73 -0.158 -7.320 9.006 1.00 15.35 H new ATOM 0 HB1 ALA A 73 -0.524 -5.037 8.089 1.00 65.51 H new ATOM 0 HB2 ALA A 73 -0.367 -6.245 6.792 1.00 65.51 H new ATOM 0 HB3 ALA A 73 -1.973 -5.620 7.237 1.00 65.51 H new ATOM 1193 N GLN A 74 -3.297 -6.563 9.742 1.00 30.41 N ATOM 1194 CA GLN A 74 -4.216 -6.186 10.833 1.00 35.45 C ATOM 1195 C GLN A 74 -4.157 -7.209 11.988 1.00 23.40 C ATOM 1196 O GLN A 74 -4.282 -6.837 13.155 1.00 54.32 O ATOM 1197 CB GLN A 74 -5.667 -6.033 10.298 1.00 51.33 C ATOM 1198 CG GLN A 74 -6.679 -5.532 11.348 1.00 44.32 C ATOM 1199 CD GLN A 74 -8.103 -5.401 10.809 1.00 10.25 C ATOM 1200 OE1 GLN A 74 -8.879 -6.354 10.836 1.00 21.31 O ATOM 1201 NE2 GLN A 74 -8.459 -4.218 10.317 1.00 55.32 N ATOM 0 H GLN A 74 -3.772 -6.843 8.884 1.00 30.41 H new ATOM 0 HA GLN A 74 -3.895 -5.222 11.228 1.00 35.45 H new ATOM 0 HB2 GLN A 74 -5.661 -5.340 9.457 1.00 51.33 H new ATOM 0 HB3 GLN A 74 -6.005 -6.996 9.915 1.00 51.33 H new ATOM 0 HG2 GLN A 74 -6.681 -6.218 12.195 1.00 44.32 H new ATOM 0 HG3 GLN A 74 -6.351 -4.563 11.724 1.00 44.32 H new ATOM 0 HE21 GLN A 74 -7.791 -3.447 10.309 1.00 55.32 H new ATOM 0 HE22 GLN A 74 -9.400 -4.082 9.948 1.00 55.32 H new ATOM 1210 N LYS A 75 -3.929 -8.497 11.647 1.00 63.41 N ATOM 1211 CA LYS A 75 -3.758 -9.576 12.646 1.00 30.14 C ATOM 1212 C LYS A 75 -2.484 -9.344 13.484 1.00 72.11 C ATOM 1213 O LYS A 75 -2.449 -9.689 14.665 1.00 63.25 O ATOM 1214 CB LYS A 75 -3.713 -10.992 11.973 1.00 33.50 C ATOM 1215 CG LYS A 75 -5.050 -11.798 11.910 1.00 63.24 C ATOM 1216 CD LYS A 75 -6.060 -11.347 10.825 1.00 43.40 C ATOM 1217 CE LYS A 75 -6.951 -10.157 11.233 1.00 72.53 C ATOM 1218 NZ LYS A 75 -7.909 -10.502 12.319 1.00 44.35 N ATOM 0 H LYS A 75 -3.859 -8.816 10.681 1.00 63.41 H new ATOM 0 HA LYS A 75 -4.626 -9.548 13.304 1.00 30.14 H new ATOM 0 HB2 LYS A 75 -3.344 -10.870 10.955 1.00 33.50 H new ATOM 0 HB3 LYS A 75 -2.980 -11.596 12.507 1.00 33.50 H new ATOM 0 HG2 LYS A 75 -4.811 -12.848 11.743 1.00 63.24 H new ATOM 0 HG3 LYS A 75 -5.538 -11.733 12.883 1.00 63.24 H new ATOM 0 HD2 LYS A 75 -5.509 -11.079 9.923 1.00 43.40 H new ATOM 0 HD3 LYS A 75 -6.699 -12.192 10.569 1.00 43.40 H new ATOM 0 HE2 LYS A 75 -6.319 -9.331 11.560 1.00 72.53 H new ATOM 0 HE3 LYS A 75 -7.506 -9.808 10.362 1.00 72.53 H new ATOM 0 HZ1 LYS A 75 -8.582 -9.720 12.449 1.00 44.35 H new ATOM 0 HZ2 LYS A 75 -8.428 -11.366 12.063 1.00 44.35 H new ATOM 0 HZ3 LYS A 75 -7.387 -10.661 13.205 1.00 44.35 H new ATOM 1232 N GLU A 76 -1.441 -8.753 12.854 1.00 54.12 N ATOM 1233 CA GLU A 76 -0.178 -8.433 13.548 1.00 40.12 C ATOM 1234 C GLU A 76 -0.289 -7.085 14.308 1.00 44.55 C ATOM 1235 O GLU A 76 0.662 -6.666 14.973 1.00 50.53 O ATOM 1236 CB GLU A 76 1.011 -8.395 12.540 1.00 62.03 C ATOM 1237 CG GLU A 76 1.056 -9.540 11.493 1.00 31.33 C ATOM 1238 CD GLU A 76 0.881 -10.953 12.085 1.00 75.21 C ATOM 1239 OE1 GLU A 76 1.750 -11.393 12.870 1.00 25.15 O ATOM 1240 OE2 GLU A 76 -0.129 -11.624 11.778 1.00 43.22 O ATOM 0 H GLU A 76 -1.453 -8.490 11.869 1.00 54.12 H new ATOM 0 HA GLU A 76 0.013 -9.220 14.277 1.00 40.12 H new ATOM 0 HB2 GLU A 76 0.979 -7.444 12.008 1.00 62.03 H new ATOM 0 HB3 GLU A 76 1.942 -8.412 13.107 1.00 62.03 H new ATOM 0 HG2 GLU A 76 0.274 -9.370 10.753 1.00 31.33 H new ATOM 0 HG3 GLU A 76 2.009 -9.496 10.965 1.00 31.33 H new ATOM 1247 N GLY A 77 -1.448 -6.410 14.180 1.00 53.31 N ATOM 1248 CA GLY A 77 -1.698 -5.125 14.848 1.00 31.01 C ATOM 1249 C GLY A 77 -0.975 -3.958 14.189 1.00 42.03 C ATOM 1250 O GLY A 77 -0.824 -2.887 14.791 1.00 10.33 O ATOM 0 H GLY A 77 -2.230 -6.740 13.614 1.00 53.31 H new ATOM 0 HA2 GLY A 77 -2.770 -4.926 14.850 1.00 31.01 H new ATOM 0 HA3 GLY A 77 -1.385 -5.197 15.890 1.00 31.01 H new ATOM 1254 N LEU A 78 -0.518 -4.176 12.946 1.00 61.41 N ATOM 1255 CA LEU A 78 0.245 -3.186 12.181 1.00 52.23 C ATOM 1256 C LEU A 78 -0.716 -2.214 11.485 1.00 51.34 C ATOM 1257 O LEU A 78 -1.832 -2.609 11.112 1.00 63.55 O ATOM 1258 CB LEU A 78 1.163 -3.890 11.138 1.00 0.10 C ATOM 1259 CG LEU A 78 2.147 -4.981 11.688 1.00 21.23 C ATOM 1260 CD1 LEU A 78 3.196 -5.364 10.627 1.00 44.35 C ATOM 1261 CD2 LEU A 78 2.822 -4.566 13.018 1.00 32.24 C ATOM 0 H LEU A 78 -0.670 -5.050 12.443 1.00 61.41 H new ATOM 0 HA LEU A 78 0.880 -2.624 12.866 1.00 52.23 H new ATOM 0 HB2 LEU A 78 0.527 -4.354 10.384 1.00 0.10 H new ATOM 0 HB3 LEU A 78 1.752 -3.125 10.632 1.00 0.10 H new ATOM 0 HG LEU A 78 1.544 -5.861 11.910 1.00 21.23 H new ATOM 0 HD11 LEU A 78 3.865 -6.122 11.034 1.00 44.35 H new ATOM 0 HD12 LEU A 78 2.693 -5.760 9.745 1.00 44.35 H new ATOM 0 HD13 LEU A 78 3.773 -4.481 10.350 1.00 44.35 H new ATOM 0 HD21 LEU A 78 3.491 -5.360 13.350 1.00 32.24 H new ATOM 0 HD22 LEU A 78 3.393 -3.650 12.866 1.00 32.24 H new ATOM 0 HD23 LEU A 78 2.058 -4.395 13.776 1.00 32.24 H new ATOM 1273 N ARG A 79 -0.287 -0.945 11.330 1.00 21.34 N ATOM 1274 CA ARG A 79 -1.087 0.093 10.657 1.00 60.23 C ATOM 1275 C ARG A 79 -1.223 -0.237 9.162 1.00 73.12 C ATOM 1276 O ARG A 79 -0.231 -0.216 8.428 1.00 21.24 O ATOM 1277 CB ARG A 79 -0.436 1.480 10.831 1.00 30.52 C ATOM 1278 CG ARG A 79 -0.375 1.997 12.281 1.00 54.44 C ATOM 1279 CD ARG A 79 0.223 3.412 12.341 1.00 33.23 C ATOM 1280 NE ARG A 79 -0.425 4.318 11.376 1.00 32.43 N ATOM 1281 CZ ARG A 79 -1.530 5.033 11.605 1.00 72.31 C ATOM 1282 NH1 ARG A 79 -2.132 5.012 12.788 1.00 15.25 N ATOM 1283 NH2 ARG A 79 -2.051 5.745 10.631 1.00 4.30 N ATOM 0 H ARG A 79 0.618 -0.615 11.666 1.00 21.34 H new ATOM 0 HA ARG A 79 -2.077 0.115 11.112 1.00 60.23 H new ATOM 0 HB2 ARG A 79 0.578 1.441 10.433 1.00 30.52 H new ATOM 0 HB3 ARG A 79 -0.987 2.201 10.228 1.00 30.52 H new ATOM 0 HG2 ARG A 79 -1.377 2.004 12.710 1.00 54.44 H new ATOM 0 HG3 ARG A 79 0.226 1.319 12.887 1.00 54.44 H new ATOM 0 HD2 ARG A 79 0.110 3.812 13.349 1.00 33.23 H new ATOM 0 HD3 ARG A 79 1.292 3.364 12.134 1.00 33.23 H new ATOM 0 HE ARG A 79 0.006 4.407 10.456 1.00 32.43 H new ATOM 0 HH11 ARG A 79 -1.752 4.442 13.544 1.00 15.25 H new ATOM 0 HH12 ARG A 79 -2.975 5.566 12.941 1.00 15.25 H new ATOM 0 HH21 ARG A 79 -1.612 5.748 9.710 1.00 4.30 H new ATOM 0 HH22 ARG A 79 -2.895 6.294 10.796 1.00 4.30 H new ATOM 1297 N VAL A 80 -2.446 -0.563 8.734 1.00 4.10 N ATOM 1298 CA VAL A 80 -2.727 -0.943 7.341 1.00 53.22 C ATOM 1299 C VAL A 80 -3.242 0.284 6.587 1.00 13.11 C ATOM 1300 O VAL A 80 -4.316 0.809 6.900 1.00 5.21 O ATOM 1301 CB VAL A 80 -3.783 -2.109 7.230 1.00 54.43 C ATOM 1302 CG1 VAL A 80 -3.862 -2.640 5.778 1.00 0.21 C ATOM 1303 CG2 VAL A 80 -3.471 -3.241 8.234 1.00 64.51 C ATOM 0 H VAL A 80 -3.268 -0.572 9.338 1.00 4.10 H new ATOM 0 HA VAL A 80 -1.798 -1.309 6.904 1.00 53.22 H new ATOM 0 HB VAL A 80 -4.762 -1.707 7.490 1.00 54.43 H new ATOM 0 HG11 VAL A 80 -4.596 -3.444 5.724 1.00 0.21 H new ATOM 0 HG12 VAL A 80 -4.159 -1.831 5.111 1.00 0.21 H new ATOM 0 HG13 VAL A 80 -2.886 -3.019 5.476 1.00 0.21 H new ATOM 0 HG21 VAL A 80 -4.216 -4.031 8.135 1.00 64.51 H new ATOM 0 HG22 VAL A 80 -2.481 -3.648 8.028 1.00 64.51 H new ATOM 0 HG23 VAL A 80 -3.496 -2.844 9.249 1.00 64.51 H new ATOM 1313 N ILE A 81 -2.456 0.741 5.605 1.00 33.22 N ATOM 1314 CA ILE A 81 -2.799 1.884 4.757 1.00 12.05 C ATOM 1315 C ILE A 81 -2.974 1.370 3.322 1.00 34.15 C ATOM 1316 O ILE A 81 -2.032 0.867 2.739 1.00 20.42 O ATOM 1317 CB ILE A 81 -1.716 3.045 4.807 1.00 22.53 C ATOM 1318 CG1 ILE A 81 -1.753 3.856 6.160 1.00 41.50 C ATOM 1319 CG2 ILE A 81 -1.898 4.007 3.609 1.00 53.24 C ATOM 1320 CD1 ILE A 81 -1.207 3.137 7.385 1.00 11.42 C ATOM 0 H ILE A 81 -1.555 0.322 5.376 1.00 33.22 H new ATOM 0 HA ILE A 81 -3.722 2.327 5.131 1.00 12.05 H new ATOM 0 HB ILE A 81 -0.740 2.565 4.746 1.00 22.53 H new ATOM 0 HG12 ILE A 81 -1.188 4.778 6.023 1.00 41.50 H new ATOM 0 HG13 ILE A 81 -2.786 4.141 6.361 1.00 41.50 H new ATOM 0 HG21 ILE A 81 -1.148 4.796 3.659 1.00 53.24 H new ATOM 0 HG22 ILE A 81 -1.781 3.454 2.677 1.00 53.24 H new ATOM 0 HG23 ILE A 81 -2.893 4.450 3.646 1.00 53.24 H new ATOM 0 HD11 ILE A 81 -1.283 3.790 8.254 1.00 11.42 H new ATOM 0 HD12 ILE A 81 -1.784 2.229 7.561 1.00 11.42 H new ATOM 0 HD13 ILE A 81 -0.162 2.876 7.218 1.00 11.42 H new ATOM 1332 N VAL A 82 -4.182 1.496 2.767 1.00 34.01 N ATOM 1333 CA VAL A 82 -4.504 1.006 1.413 1.00 52.32 C ATOM 1334 C VAL A 82 -4.725 2.225 0.493 1.00 40.22 C ATOM 1335 O VAL A 82 -5.662 2.976 0.695 1.00 4.33 O ATOM 1336 CB VAL A 82 -5.790 0.086 1.453 1.00 74.11 C ATOM 1337 CG1 VAL A 82 -6.139 -0.463 0.056 1.00 24.30 C ATOM 1338 CG2 VAL A 82 -5.623 -1.069 2.476 1.00 13.30 C ATOM 0 H VAL A 82 -4.969 1.940 3.240 1.00 34.01 H new ATOM 0 HA VAL A 82 -3.682 0.404 1.027 1.00 52.32 H new ATOM 0 HB VAL A 82 -6.623 0.708 1.780 1.00 74.11 H new ATOM 0 HG11 VAL A 82 -7.028 -1.090 0.123 1.00 24.30 H new ATOM 0 HG12 VAL A 82 -6.331 0.367 -0.624 1.00 24.30 H new ATOM 0 HG13 VAL A 82 -5.305 -1.055 -0.321 1.00 24.30 H new ATOM 0 HG21 VAL A 82 -6.523 -1.684 2.481 1.00 13.30 H new ATOM 0 HG22 VAL A 82 -4.766 -1.682 2.196 1.00 13.30 H new ATOM 0 HG23 VAL A 82 -5.462 -0.654 3.471 1.00 13.30 H new ATOM 1348 N ILE A 83 -3.837 2.440 -0.492 1.00 63.35 N ATOM 1349 CA ILE A 83 -3.898 3.619 -1.386 1.00 53.10 C ATOM 1350 C ILE A 83 -4.276 3.171 -2.805 1.00 12.30 C ATOM 1351 O ILE A 83 -3.452 2.590 -3.508 1.00 33.41 O ATOM 1352 CB ILE A 83 -2.511 4.378 -1.419 1.00 73.31 C ATOM 1353 CG1 ILE A 83 -2.037 4.705 0.029 1.00 62.21 C ATOM 1354 CG2 ILE A 83 -2.586 5.664 -2.284 1.00 15.03 C ATOM 1355 CD1 ILE A 83 -0.651 5.311 0.128 1.00 60.20 C ATOM 0 H ILE A 83 -3.061 1.810 -0.694 1.00 63.35 H new ATOM 0 HA ILE A 83 -4.654 4.303 -1.002 1.00 53.10 H new ATOM 0 HB ILE A 83 -1.778 3.718 -1.883 1.00 73.31 H new ATOM 0 HG12 ILE A 83 -2.751 5.393 0.482 1.00 62.21 H new ATOM 0 HG13 ILE A 83 -2.059 3.788 0.618 1.00 62.21 H new ATOM 0 HG21 ILE A 83 -1.615 6.160 -2.284 1.00 15.03 H new ATOM 0 HG22 ILE A 83 -2.858 5.400 -3.306 1.00 15.03 H new ATOM 0 HG23 ILE A 83 -3.337 6.337 -1.871 1.00 15.03 H new ATOM 0 HD11 ILE A 83 -0.412 5.503 1.174 1.00 60.20 H new ATOM 0 HD12 ILE A 83 0.080 4.619 -0.290 1.00 60.20 H new ATOM 0 HD13 ILE A 83 -0.623 6.248 -0.428 1.00 60.20 H new ATOM 1367 N ILE A 84 -5.527 3.429 -3.221 1.00 42.15 N ATOM 1368 CA ILE A 84 -5.973 3.111 -4.584 1.00 41.15 C ATOM 1369 C ILE A 84 -5.547 4.266 -5.512 1.00 0.31 C ATOM 1370 O ILE A 84 -5.893 5.434 -5.275 1.00 5.11 O ATOM 1371 CB ILE A 84 -7.531 2.847 -4.697 1.00 3.05 C ATOM 1372 CG1 ILE A 84 -7.954 1.524 -3.964 1.00 13.03 C ATOM 1373 CG2 ILE A 84 -7.972 2.786 -6.185 1.00 52.00 C ATOM 1374 CD1 ILE A 84 -7.830 1.536 -2.449 1.00 14.43 C ATOM 0 H ILE A 84 -6.244 3.855 -2.634 1.00 42.15 H new ATOM 0 HA ILE A 84 -5.500 2.175 -4.882 1.00 41.15 H new ATOM 0 HB ILE A 84 -8.033 3.681 -4.207 1.00 3.05 H new ATOM 0 HG12 ILE A 84 -8.990 1.303 -4.223 1.00 13.03 H new ATOM 0 HG13 ILE A 84 -7.347 0.706 -4.352 1.00 13.03 H new ATOM 0 HG21 ILE A 84 -9.045 2.604 -6.239 1.00 52.00 H new ATOM 0 HG22 ILE A 84 -7.740 3.733 -6.672 1.00 52.00 H new ATOM 0 HG23 ILE A 84 -7.441 1.978 -6.689 1.00 52.00 H new ATOM 0 HD11 ILE A 84 -8.149 0.573 -2.050 1.00 14.43 H new ATOM 0 HD12 ILE A 84 -6.792 1.719 -2.170 1.00 14.43 H new ATOM 0 HD13 ILE A 84 -8.460 2.325 -2.039 1.00 14.43 H new ATOM 1386 N VAL A 85 -4.762 3.913 -6.540 1.00 15.12 N ATOM 1387 CA VAL A 85 -4.219 4.837 -7.521 1.00 4.34 C ATOM 1388 C VAL A 85 -4.819 4.514 -8.889 1.00 42.23 C ATOM 1389 O VAL A 85 -4.456 3.512 -9.524 1.00 71.31 O ATOM 1390 CB VAL A 85 -2.654 4.773 -7.589 1.00 43.44 C ATOM 1391 CG1 VAL A 85 -2.099 5.882 -8.515 1.00 14.53 C ATOM 1392 CG2 VAL A 85 -2.039 4.843 -6.173 1.00 52.22 C ATOM 0 H VAL A 85 -4.485 2.946 -6.708 1.00 15.12 H new ATOM 0 HA VAL A 85 -4.484 5.851 -7.220 1.00 4.34 H new ATOM 0 HB VAL A 85 -2.365 3.815 -8.020 1.00 43.44 H new ATOM 0 HG11 VAL A 85 -1.011 5.819 -8.547 1.00 14.53 H new ATOM 0 HG12 VAL A 85 -2.500 5.751 -9.520 1.00 14.53 H new ATOM 0 HG13 VAL A 85 -2.394 6.858 -8.131 1.00 14.53 H new ATOM 0 HG21 VAL A 85 -0.952 4.797 -6.246 1.00 52.22 H new ATOM 0 HG22 VAL A 85 -2.331 5.778 -5.695 1.00 52.22 H new ATOM 0 HG23 VAL A 85 -2.399 4.004 -5.578 1.00 52.22 H new ATOM 1402 N SER A 86 -5.770 5.353 -9.301 1.00 45.42 N ATOM 1403 CA SER A 86 -6.471 5.238 -10.577 1.00 73.42 C ATOM 1404 C SER A 86 -6.866 6.644 -11.054 1.00 62.33 C ATOM 1405 O SER A 86 -7.044 7.557 -10.237 1.00 22.12 O ATOM 1406 CB SER A 86 -7.733 4.346 -10.417 1.00 54.01 C ATOM 1407 OG SER A 86 -7.408 3.048 -9.934 1.00 62.51 O ATOM 0 H SER A 86 -6.080 6.149 -8.743 1.00 45.42 H new ATOM 0 HA SER A 86 -5.818 4.773 -11.315 1.00 73.42 H new ATOM 0 HB2 SER A 86 -8.431 4.825 -9.730 1.00 54.01 H new ATOM 0 HB3 SER A 86 -8.240 4.259 -11.378 1.00 54.01 H new ATOM 0 HG SER A 86 -7.954 2.380 -10.398 1.00 62.51 H new ATOM 1413 N GLN A 87 -6.998 6.793 -12.370 1.00 3.24 N ATOM 1414 CA GLN A 87 -7.499 8.027 -13.001 1.00 24.13 C ATOM 1415 C GLN A 87 -9.024 7.906 -13.255 1.00 22.13 C ATOM 1416 O GLN A 87 -9.612 8.740 -13.939 1.00 13.11 O ATOM 1417 CB GLN A 87 -6.709 8.298 -14.320 1.00 63.44 C ATOM 1418 CG GLN A 87 -6.871 7.210 -15.400 1.00 74.21 C ATOM 1419 CD GLN A 87 -5.960 7.413 -16.611 1.00 23.15 C ATOM 1420 OE1 GLN A 87 -4.845 6.886 -16.661 1.00 51.10 O ATOM 1421 NE2 GLN A 87 -6.411 8.203 -17.580 1.00 62.23 N ATOM 0 H GLN A 87 -6.761 6.060 -13.039 1.00 3.24 H new ATOM 0 HA GLN A 87 -7.342 8.876 -12.336 1.00 24.13 H new ATOM 0 HB2 GLN A 87 -7.034 9.253 -14.733 1.00 63.44 H new ATOM 0 HB3 GLN A 87 -5.651 8.398 -14.080 1.00 63.44 H new ATOM 0 HG2 GLN A 87 -6.662 6.236 -14.957 1.00 74.21 H new ATOM 0 HG3 GLN A 87 -7.908 7.193 -15.734 1.00 74.21 H new ATOM 0 HE21 GLN A 87 -7.338 8.622 -17.506 1.00 62.23 H new ATOM 0 HE22 GLN A 87 -5.830 8.390 -18.397 1.00 62.23 H new ATOM 1430 N ASP A 88 -9.651 6.859 -12.680 1.00 15.41 N ATOM 1431 CA ASP A 88 -11.106 6.602 -12.785 1.00 14.32 C ATOM 1432 C ASP A 88 -11.743 6.700 -11.393 1.00 41.24 C ATOM 1433 O ASP A 88 -11.291 6.029 -10.464 1.00 34.54 O ATOM 1434 CB ASP A 88 -11.346 5.194 -13.385 1.00 62.53 C ATOM 1435 CG ASP A 88 -12.839 4.820 -13.505 1.00 61.55 C ATOM 1436 OD1 ASP A 88 -13.475 5.178 -14.517 1.00 42.12 O ATOM 1437 OD2 ASP A 88 -13.376 4.166 -12.583 1.00 62.01 O ATOM 0 H ASP A 88 -9.158 6.160 -12.124 1.00 15.41 H new ATOM 0 HA ASP A 88 -11.562 7.345 -13.439 1.00 14.32 H new ATOM 0 HB2 ASP A 88 -10.887 5.146 -14.373 1.00 62.53 H new ATOM 0 HB3 ASP A 88 -10.843 4.453 -12.764 1.00 62.53 H new ATOM 1442 N GLU A 89 -12.812 7.513 -11.287 1.00 1.45 N ATOM 1443 CA GLU A 89 -13.497 7.828 -10.013 1.00 32.34 C ATOM 1444 C GLU A 89 -14.037 6.569 -9.327 1.00 55.42 C ATOM 1445 O GLU A 89 -13.876 6.414 -8.129 1.00 5.13 O ATOM 1446 CB GLU A 89 -14.664 8.843 -10.233 1.00 14.25 C ATOM 1447 CG GLU A 89 -14.233 10.293 -10.566 1.00 23.42 C ATOM 1448 CD GLU A 89 -13.329 10.426 -11.807 1.00 52.15 C ATOM 1449 OE1 GLU A 89 -13.760 10.010 -12.900 1.00 63.05 O ATOM 1450 OE2 GLU A 89 -12.201 10.958 -11.701 1.00 31.00 O ATOM 0 H GLU A 89 -13.231 7.977 -12.093 1.00 1.45 H new ATOM 0 HA GLU A 89 -12.749 8.280 -9.362 1.00 32.34 H new ATOM 0 HB2 GLU A 89 -15.295 8.475 -11.042 1.00 14.25 H new ATOM 0 HB3 GLU A 89 -15.279 8.863 -9.334 1.00 14.25 H new ATOM 0 HG2 GLU A 89 -15.127 10.898 -10.718 1.00 23.42 H new ATOM 0 HG3 GLU A 89 -13.709 10.709 -9.705 1.00 23.42 H new ATOM 1457 N GLU A 90 -14.642 5.662 -10.107 1.00 41.02 N ATOM 1458 CA GLU A 90 -15.306 4.459 -9.568 1.00 42.44 C ATOM 1459 C GLU A 90 -14.291 3.460 -8.999 1.00 72.13 C ATOM 1460 O GLU A 90 -14.558 2.818 -7.990 1.00 2.40 O ATOM 1461 CB GLU A 90 -16.177 3.795 -10.660 1.00 64.15 C ATOM 1462 CG GLU A 90 -17.288 4.705 -11.220 1.00 64.44 C ATOM 1463 CD GLU A 90 -18.335 5.128 -10.169 1.00 21.11 C ATOM 1464 OE1 GLU A 90 -19.323 4.390 -9.972 1.00 13.11 O ATOM 1465 OE2 GLU A 90 -18.178 6.198 -9.539 1.00 61.14 O ATOM 0 H GLU A 90 -14.687 5.737 -11.123 1.00 41.02 H new ATOM 0 HA GLU A 90 -15.950 4.771 -8.746 1.00 42.44 H new ATOM 0 HB2 GLU A 90 -15.533 3.479 -11.481 1.00 64.15 H new ATOM 0 HB3 GLU A 90 -16.633 2.895 -10.248 1.00 64.15 H new ATOM 0 HG2 GLU A 90 -16.832 5.599 -11.646 1.00 64.44 H new ATOM 0 HG3 GLU A 90 -17.794 4.186 -12.035 1.00 64.44 H new ATOM 1472 N ALA A 91 -13.119 3.360 -9.643 1.00 0.44 N ATOM 1473 CA ALA A 91 -12.012 2.521 -9.153 1.00 55.25 C ATOM 1474 C ALA A 91 -11.497 3.035 -7.793 1.00 63.22 C ATOM 1475 O ALA A 91 -11.169 2.245 -6.899 1.00 20.51 O ATOM 1476 CB ALA A 91 -10.890 2.474 -10.196 1.00 13.34 C ATOM 0 H ALA A 91 -12.911 3.853 -10.511 1.00 0.44 H new ATOM 0 HA ALA A 91 -12.378 1.506 -9.000 1.00 55.25 H new ATOM 0 HB1 ALA A 91 -10.075 1.852 -9.826 1.00 13.34 H new ATOM 0 HB2 ALA A 91 -11.274 2.054 -11.125 1.00 13.34 H new ATOM 0 HB3 ALA A 91 -10.521 3.483 -10.379 1.00 13.34 H new ATOM 1482 N LEU A 92 -11.485 4.374 -7.657 1.00 10.22 N ATOM 1483 CA LEU A 92 -11.062 5.076 -6.435 1.00 55.50 C ATOM 1484 C LEU A 92 -12.094 4.902 -5.310 1.00 24.15 C ATOM 1485 O LEU A 92 -11.740 4.527 -4.196 1.00 4.21 O ATOM 1486 CB LEU A 92 -10.855 6.580 -6.759 1.00 23.33 C ATOM 1487 CG LEU A 92 -9.754 6.887 -7.822 1.00 22.42 C ATOM 1488 CD1 LEU A 92 -9.873 8.328 -8.360 1.00 52.31 C ATOM 1489 CD2 LEU A 92 -8.348 6.599 -7.256 1.00 41.20 C ATOM 0 H LEU A 92 -11.773 5.006 -8.404 1.00 10.22 H new ATOM 0 HA LEU A 92 -10.123 4.646 -6.086 1.00 55.50 H new ATOM 0 HB2 LEU A 92 -11.801 6.993 -7.110 1.00 23.33 H new ATOM 0 HB3 LEU A 92 -10.602 7.102 -5.836 1.00 23.33 H new ATOM 0 HG LEU A 92 -9.910 6.220 -8.669 1.00 22.42 H new ATOM 0 HD11 LEU A 92 -9.091 8.507 -9.098 1.00 52.31 H new ATOM 0 HD12 LEU A 92 -10.849 8.463 -8.826 1.00 52.31 H new ATOM 0 HD13 LEU A 92 -9.763 9.034 -7.537 1.00 52.31 H new ATOM 0 HD21 LEU A 92 -7.598 6.820 -8.015 1.00 41.20 H new ATOM 0 HD22 LEU A 92 -8.173 7.224 -6.380 1.00 41.20 H new ATOM 0 HD23 LEU A 92 -8.278 5.549 -6.972 1.00 41.20 H new ATOM 1501 N ARG A 93 -13.377 5.151 -5.641 1.00 12.20 N ATOM 1502 CA ARG A 93 -14.489 5.178 -4.668 1.00 5.34 C ATOM 1503 C ARG A 93 -14.769 3.773 -4.119 1.00 60.32 C ATOM 1504 O ARG A 93 -14.826 3.575 -2.903 1.00 24.53 O ATOM 1505 CB ARG A 93 -15.784 5.740 -5.333 1.00 3.31 C ATOM 1506 CG ARG A 93 -15.707 7.224 -5.776 1.00 51.53 C ATOM 1507 CD ARG A 93 -16.935 7.658 -6.611 1.00 14.25 C ATOM 1508 NE ARG A 93 -16.848 9.063 -7.065 1.00 5.13 N ATOM 1509 CZ ARG A 93 -17.636 9.629 -8.007 1.00 75.04 C ATOM 1510 NH1 ARG A 93 -18.584 8.926 -8.628 1.00 21.05 N ATOM 1511 NH2 ARG A 93 -17.456 10.909 -8.326 1.00 52.24 N ATOM 0 H ARG A 93 -13.673 5.341 -6.598 1.00 12.20 H new ATOM 0 HA ARG A 93 -14.194 5.828 -3.844 1.00 5.34 H new ATOM 0 HB2 ARG A 93 -16.021 5.129 -6.204 1.00 3.31 H new ATOM 0 HB3 ARG A 93 -16.611 5.629 -4.632 1.00 3.31 H new ATOM 0 HG2 ARG A 93 -15.629 7.859 -4.894 1.00 51.53 H new ATOM 0 HG3 ARG A 93 -14.801 7.378 -6.362 1.00 51.53 H new ATOM 0 HD2 ARG A 93 -17.028 7.005 -7.479 1.00 14.25 H new ATOM 0 HD3 ARG A 93 -17.839 7.528 -6.015 1.00 14.25 H new ATOM 0 HE ARG A 93 -16.136 9.652 -6.633 1.00 5.13 H new ATOM 0 HH11 ARG A 93 -18.725 7.943 -8.395 1.00 21.05 H new ATOM 0 HH12 ARG A 93 -19.168 9.371 -9.336 1.00 21.05 H new ATOM 0 HH21 ARG A 93 -16.729 11.453 -7.861 1.00 52.24 H new ATOM 0 HH22 ARG A 93 -18.045 11.346 -9.035 1.00 52.24 H new ATOM 1525 N LYS A 94 -14.929 2.802 -5.033 1.00 63.45 N ATOM 1526 CA LYS A 94 -15.268 1.418 -4.672 1.00 32.34 C ATOM 1527 C LYS A 94 -14.099 0.741 -3.957 1.00 72.34 C ATOM 1528 O LYS A 94 -14.310 0.020 -2.987 1.00 14.33 O ATOM 1529 CB LYS A 94 -15.709 0.607 -5.919 1.00 74.23 C ATOM 1530 CG LYS A 94 -16.941 1.209 -6.644 1.00 41.41 C ATOM 1531 CD LYS A 94 -17.510 0.285 -7.740 1.00 1.11 C ATOM 1532 CE LYS A 94 -17.998 -1.059 -7.181 1.00 14.13 C ATOM 1533 NZ LYS A 94 -18.960 -0.876 -6.055 1.00 54.11 N ATOM 0 H LYS A 94 -14.828 2.954 -6.037 1.00 63.45 H new ATOM 0 HA LYS A 94 -16.112 1.447 -3.982 1.00 32.34 H new ATOM 0 HB2 LYS A 94 -14.876 0.552 -6.620 1.00 74.23 H new ATOM 0 HB3 LYS A 94 -15.939 -0.414 -5.616 1.00 74.23 H new ATOM 0 HG2 LYS A 94 -17.721 1.416 -5.911 1.00 41.41 H new ATOM 0 HG3 LYS A 94 -16.662 2.163 -7.091 1.00 41.41 H new ATOM 0 HD2 LYS A 94 -18.337 0.788 -8.241 1.00 1.11 H new ATOM 0 HD3 LYS A 94 -16.743 0.105 -8.493 1.00 1.11 H new ATOM 0 HE2 LYS A 94 -18.475 -1.632 -7.977 1.00 14.13 H new ATOM 0 HE3 LYS A 94 -17.143 -1.641 -6.837 1.00 14.13 H new ATOM 0 HZ1 LYS A 94 -19.382 -1.794 -5.806 1.00 54.11 H new ATOM 0 HZ2 LYS A 94 -18.459 -0.490 -5.230 1.00 54.11 H new ATOM 0 HZ3 LYS A 94 -19.711 -0.217 -6.344 1.00 54.11 H new ATOM 1547 N GLY A 95 -12.867 1.012 -4.431 1.00 11.44 N ATOM 1548 CA GLY A 95 -11.655 0.514 -3.773 1.00 52.25 C ATOM 1549 C GLY A 95 -11.459 1.108 -2.381 1.00 0.01 C ATOM 1550 O GLY A 95 -10.947 0.435 -1.474 1.00 61.24 O ATOM 0 H GLY A 95 -12.691 1.572 -5.265 1.00 11.44 H new ATOM 0 HA2 GLY A 95 -11.707 -0.572 -3.697 1.00 52.25 H new ATOM 0 HA3 GLY A 95 -10.788 0.749 -4.390 1.00 52.25 H new ATOM 1554 N TYR A 96 -11.873 2.379 -2.221 1.00 40.23 N ATOM 1555 CA TYR A 96 -11.814 3.098 -0.937 1.00 71.24 C ATOM 1556 C TYR A 96 -12.720 2.430 0.095 1.00 42.32 C ATOM 1557 O TYR A 96 -12.263 1.985 1.156 1.00 22.33 O ATOM 1558 CB TYR A 96 -12.231 4.579 -1.138 1.00 14.35 C ATOM 1559 CG TYR A 96 -12.438 5.420 0.138 1.00 12.31 C ATOM 1560 CD1 TYR A 96 -11.386 5.687 1.019 1.00 10.14 C ATOM 1561 CD2 TYR A 96 -13.693 5.967 0.448 1.00 11.23 C ATOM 1562 CE1 TYR A 96 -11.582 6.459 2.155 1.00 63.34 C ATOM 1563 CE2 TYR A 96 -13.886 6.739 1.579 1.00 53.04 C ATOM 1564 CZ TYR A 96 -12.831 6.984 2.426 1.00 62.41 C ATOM 1565 OH TYR A 96 -13.030 7.755 3.558 1.00 32.12 O ATOM 0 H TYR A 96 -12.259 2.937 -2.982 1.00 40.23 H new ATOM 0 HA TYR A 96 -10.789 3.065 -0.567 1.00 71.24 H new ATOM 0 HB2 TYR A 96 -11.470 5.067 -1.747 1.00 14.35 H new ATOM 0 HB3 TYR A 96 -13.158 4.597 -1.711 1.00 14.35 H new ATOM 0 HD1 TYR A 96 -10.405 5.286 0.812 1.00 10.14 H new ATOM 0 HD2 TYR A 96 -14.527 5.781 -0.212 1.00 11.23 H new ATOM 0 HE1 TYR A 96 -10.759 6.650 2.827 1.00 63.34 H new ATOM 0 HE2 TYR A 96 -14.862 7.148 1.796 1.00 53.04 H new ATOM 0 HH TYR A 96 -13.965 8.045 3.596 1.00 32.12 H new ATOM 1575 N GLU A 97 -13.996 2.325 -0.274 1.00 53.01 N ATOM 1576 CA GLU A 97 -15.064 1.891 0.618 1.00 75.53 C ATOM 1577 C GLU A 97 -14.957 0.396 0.958 1.00 52.22 C ATOM 1578 O GLU A 97 -15.299 -0.004 2.068 1.00 4.42 O ATOM 1579 CB GLU A 97 -16.430 2.219 -0.034 1.00 53.44 C ATOM 1580 CG GLU A 97 -16.675 3.733 -0.248 1.00 12.40 C ATOM 1581 CD GLU A 97 -17.937 4.036 -1.071 1.00 31.40 C ATOM 1582 OE1 GLU A 97 -19.032 4.183 -0.480 1.00 1.42 O ATOM 1583 OE2 GLU A 97 -17.841 4.132 -2.313 1.00 34.41 O ATOM 0 H GLU A 97 -14.319 2.543 -1.217 1.00 53.01 H new ATOM 0 HA GLU A 97 -14.971 2.429 1.561 1.00 75.53 H new ATOM 0 HB2 GLU A 97 -16.494 1.711 -0.996 1.00 53.44 H new ATOM 0 HB3 GLU A 97 -17.226 1.817 0.592 1.00 53.44 H new ATOM 0 HG2 GLU A 97 -16.758 4.221 0.723 1.00 12.40 H new ATOM 0 HG3 GLU A 97 -15.810 4.166 -0.750 1.00 12.40 H new ATOM 1590 N ASP A 98 -14.458 -0.405 -0.002 1.00 30.34 N ATOM 1591 CA ASP A 98 -14.396 -1.881 0.108 1.00 1.12 C ATOM 1592 C ASP A 98 -13.441 -2.334 1.228 1.00 34.44 C ATOM 1593 O ASP A 98 -13.832 -3.099 2.121 1.00 12.41 O ATOM 1594 CB ASP A 98 -13.955 -2.495 -1.251 1.00 23.30 C ATOM 1595 CG ASP A 98 -14.003 -4.027 -1.254 1.00 52.31 C ATOM 1596 OD1 ASP A 98 -15.114 -4.589 -1.378 1.00 33.14 O ATOM 1597 OD2 ASP A 98 -12.948 -4.681 -1.139 1.00 24.12 O ATOM 0 H ASP A 98 -14.084 -0.048 -0.881 1.00 30.34 H new ATOM 0 HA ASP A 98 -15.394 -2.237 0.364 1.00 1.12 H new ATOM 0 HB2 ASP A 98 -14.600 -2.114 -2.043 1.00 23.30 H new ATOM 0 HB3 ASP A 98 -12.941 -2.167 -1.481 1.00 23.30 H new ATOM 1602 N LYS A 99 -12.200 -1.829 1.184 1.00 54.30 N ATOM 1603 CA LYS A 99 -11.159 -2.189 2.167 1.00 12.12 C ATOM 1604 C LYS A 99 -11.399 -1.451 3.510 1.00 73.11 C ATOM 1605 O LYS A 99 -11.023 -1.953 4.573 1.00 21.44 O ATOM 1606 CB LYS A 99 -9.726 -1.911 1.606 1.00 64.24 C ATOM 1607 CG LYS A 99 -9.254 -2.852 0.452 1.00 11.43 C ATOM 1608 CD LYS A 99 -9.936 -2.572 -0.911 1.00 72.21 C ATOM 1609 CE LYS A 99 -9.507 -3.555 -2.026 1.00 23.12 C ATOM 1610 NZ LYS A 99 -10.047 -4.935 -1.832 1.00 35.04 N ATOM 0 H LYS A 99 -11.888 -1.166 0.475 1.00 54.30 H new ATOM 0 HA LYS A 99 -11.226 -3.260 2.356 1.00 12.12 H new ATOM 0 HB2 LYS A 99 -9.690 -0.882 1.248 1.00 64.24 H new ATOM 0 HB3 LYS A 99 -9.013 -1.988 2.427 1.00 64.24 H new ATOM 0 HG2 LYS A 99 -8.175 -2.751 0.334 1.00 11.43 H new ATOM 0 HG3 LYS A 99 -9.448 -3.886 0.738 1.00 11.43 H new ATOM 0 HD2 LYS A 99 -11.017 -2.626 -0.786 1.00 72.21 H new ATOM 0 HD3 LYS A 99 -9.702 -1.555 -1.224 1.00 72.21 H new ATOM 0 HE2 LYS A 99 -9.844 -3.172 -2.989 1.00 23.12 H new ATOM 0 HE3 LYS A 99 -8.419 -3.599 -2.064 1.00 23.12 H new ATOM 0 HZ1 LYS A 99 -10.248 -5.363 -2.759 1.00 35.04 H new ATOM 0 HZ2 LYS A 99 -9.346 -5.514 -1.328 1.00 35.04 H new ATOM 0 HZ3 LYS A 99 -10.924 -4.890 -1.274 1.00 35.04 H new ATOM 1624 N LYS A 100 -12.058 -0.273 3.456 1.00 14.44 N ATOM 1625 CA LYS A 100 -12.371 0.543 4.655 1.00 44.24 C ATOM 1626 C LYS A 100 -13.435 -0.136 5.552 1.00 31.55 C ATOM 1627 O LYS A 100 -13.454 0.076 6.772 1.00 35.22 O ATOM 1628 CB LYS A 100 -12.819 1.965 4.232 1.00 54.31 C ATOM 1629 CG LYS A 100 -13.122 2.929 5.396 1.00 64.10 C ATOM 1630 CD LYS A 100 -13.460 4.355 4.910 1.00 51.14 C ATOM 1631 CE LYS A 100 -13.881 5.284 6.062 1.00 54.13 C ATOM 1632 NZ LYS A 100 -15.190 4.890 6.658 1.00 5.31 N ATOM 0 H LYS A 100 -12.388 0.140 2.584 1.00 14.44 H new ATOM 0 HA LYS A 100 -11.462 0.627 5.251 1.00 44.24 H new ATOM 0 HB2 LYS A 100 -12.039 2.405 3.610 1.00 54.31 H new ATOM 0 HB3 LYS A 100 -13.711 1.878 3.611 1.00 54.31 H new ATOM 0 HG2 LYS A 100 -13.957 2.539 5.978 1.00 64.10 H new ATOM 0 HG3 LYS A 100 -12.261 2.970 6.063 1.00 64.10 H new ATOM 0 HD2 LYS A 100 -12.592 4.779 4.404 1.00 51.14 H new ATOM 0 HD3 LYS A 100 -14.264 4.304 4.176 1.00 51.14 H new ATOM 0 HE2 LYS A 100 -13.113 5.270 6.836 1.00 54.13 H new ATOM 0 HE3 LYS A 100 -13.945 6.308 5.695 1.00 54.13 H new ATOM 0 HZ1 LYS A 100 -15.497 5.618 7.334 1.00 5.31 H new ATOM 0 HZ2 LYS A 100 -15.900 4.796 5.904 1.00 5.31 H new ATOM 0 HZ3 LYS A 100 -15.087 3.980 7.152 1.00 5.31 H new ATOM 1646 N LYS A 101 -14.315 -0.956 4.937 1.00 43.51 N ATOM 1647 CA LYS A 101 -15.296 -1.783 5.684 1.00 44.31 C ATOM 1648 C LYS A 101 -14.579 -2.821 6.566 1.00 3.31 C ATOM 1649 O LYS A 101 -15.051 -3.164 7.652 1.00 24.14 O ATOM 1650 CB LYS A 101 -16.284 -2.489 4.718 1.00 71.44 C ATOM 1651 CG LYS A 101 -17.231 -1.527 3.977 1.00 64.24 C ATOM 1652 CD LYS A 101 -18.142 -2.255 2.965 1.00 40.42 C ATOM 1653 CE LYS A 101 -18.996 -1.282 2.137 1.00 61.34 C ATOM 1654 NZ LYS A 101 -18.157 -0.365 1.320 1.00 23.25 N ATOM 0 H LYS A 101 -14.368 -1.065 3.924 1.00 43.51 H new ATOM 0 HA LYS A 101 -15.867 -1.115 6.329 1.00 44.31 H new ATOM 0 HB2 LYS A 101 -15.714 -3.058 3.984 1.00 71.44 H new ATOM 0 HB3 LYS A 101 -16.880 -3.205 5.284 1.00 71.44 H new ATOM 0 HG2 LYS A 101 -17.849 -1.000 4.704 1.00 64.24 H new ATOM 0 HG3 LYS A 101 -16.642 -0.774 3.454 1.00 64.24 H new ATOM 0 HD2 LYS A 101 -17.528 -2.855 2.294 1.00 40.42 H new ATOM 0 HD3 LYS A 101 -18.796 -2.943 3.500 1.00 40.42 H new ATOM 0 HE2 LYS A 101 -19.659 -1.848 1.482 1.00 61.34 H new ATOM 0 HE3 LYS A 101 -19.630 -0.697 2.804 1.00 61.34 H new ATOM 0 HZ1 LYS A 101 -18.747 0.094 0.597 1.00 23.25 H new ATOM 0 HZ2 LYS A 101 -17.736 0.360 1.935 1.00 23.25 H new ATOM 0 HZ3 LYS A 101 -17.401 -0.907 0.856 1.00 23.25 H new ATOM 1668 N LYS A 102 -13.417 -3.293 6.080 1.00 23.11 N ATOM 1669 CA LYS A 102 -12.569 -4.262 6.793 1.00 43.14 C ATOM 1670 C LYS A 102 -11.666 -3.571 7.844 1.00 35.41 C ATOM 1671 O LYS A 102 -10.895 -4.242 8.542 1.00 63.34 O ATOM 1672 CB LYS A 102 -11.724 -5.057 5.774 1.00 44.02 C ATOM 1673 CG LYS A 102 -12.549 -5.934 4.802 1.00 53.10 C ATOM 1674 CD LYS A 102 -11.665 -6.712 3.799 1.00 1.34 C ATOM 1675 CE LYS A 102 -10.620 -7.610 4.483 1.00 54.23 C ATOM 1676 NZ LYS A 102 -11.226 -8.578 5.436 1.00 65.14 N ATOM 0 H LYS A 102 -13.039 -3.010 5.176 1.00 23.11 H new ATOM 0 HA LYS A 102 -13.216 -4.950 7.336 1.00 43.14 H new ATOM 0 HB2 LYS A 102 -11.125 -4.356 5.192 1.00 44.02 H new ATOM 0 HB3 LYS A 102 -11.028 -5.696 6.318 1.00 44.02 H new ATOM 0 HG2 LYS A 102 -13.147 -6.641 5.377 1.00 53.10 H new ATOM 0 HG3 LYS A 102 -13.245 -5.302 4.251 1.00 53.10 H new ATOM 0 HD2 LYS A 102 -12.302 -7.326 3.163 1.00 1.34 H new ATOM 0 HD3 LYS A 102 -11.155 -6.002 3.148 1.00 1.34 H new ATOM 0 HE2 LYS A 102 -10.064 -8.157 3.722 1.00 54.23 H new ATOM 0 HE3 LYS A 102 -9.903 -6.985 5.015 1.00 54.23 H new ATOM 0 HZ1 LYS A 102 -10.483 -9.190 5.829 1.00 65.14 H new ATOM 0 HZ2 LYS A 102 -11.692 -8.060 6.208 1.00 65.14 H new ATOM 0 HZ3 LYS A 102 -11.928 -9.162 4.938 1.00 65.14 H new ATOM 1690 N GLY A 103 -11.769 -2.231 7.933 1.00 64.21 N ATOM 1691 CA GLY A 103 -11.150 -1.458 9.010 1.00 44.35 C ATOM 1692 C GLY A 103 -9.698 -1.083 8.744 1.00 60.43 C ATOM 1693 O GLY A 103 -8.837 -1.260 9.614 1.00 44.11 O ATOM 0 H GLY A 103 -12.283 -1.662 7.260 1.00 64.21 H new ATOM 0 HA2 GLY A 103 -11.727 -0.547 9.168 1.00 44.35 H new ATOM 0 HA3 GLY A 103 -11.203 -2.034 9.934 1.00 44.35 H new ATOM 1697 N TYR A 104 -9.420 -0.578 7.529 1.00 35.23 N ATOM 1698 CA TYR A 104 -8.069 -0.113 7.131 1.00 72.10 C ATOM 1699 C TYR A 104 -8.105 1.397 6.852 1.00 0.14 C ATOM 1700 O TYR A 104 -9.154 1.922 6.441 1.00 1.22 O ATOM 1701 CB TYR A 104 -7.595 -0.877 5.860 1.00 61.02 C ATOM 1702 CG TYR A 104 -7.716 -2.408 5.950 1.00 23.23 C ATOM 1703 CD1 TYR A 104 -7.305 -3.105 7.089 1.00 24.33 C ATOM 1704 CD2 TYR A 104 -8.257 -3.157 4.901 1.00 73.32 C ATOM 1705 CE1 TYR A 104 -7.432 -4.473 7.173 1.00 34.31 C ATOM 1706 CE2 TYR A 104 -8.388 -4.519 4.988 1.00 24.15 C ATOM 1707 CZ TYR A 104 -7.975 -5.170 6.123 1.00 41.52 C ATOM 1708 OH TYR A 104 -8.110 -6.532 6.204 1.00 35.34 O ATOM 0 H TYR A 104 -10.120 -0.479 6.794 1.00 35.23 H new ATOM 0 HA TYR A 104 -7.369 -0.312 7.942 1.00 72.10 H new ATOM 0 HB2 TYR A 104 -8.176 -0.529 5.006 1.00 61.02 H new ATOM 0 HB3 TYR A 104 -6.554 -0.619 5.664 1.00 61.02 H new ATOM 0 HD1 TYR A 104 -6.880 -2.560 7.919 1.00 24.33 H new ATOM 0 HD2 TYR A 104 -8.579 -2.652 4.002 1.00 73.32 H new ATOM 0 HE1 TYR A 104 -7.106 -4.995 8.060 1.00 34.31 H new ATOM 0 HE2 TYR A 104 -8.814 -5.077 4.167 1.00 24.15 H new ATOM 0 HH TYR A 104 -7.736 -6.946 5.399 1.00 35.34 H new ATOM 1718 N ASP A 105 -6.968 2.094 7.081 1.00 31.41 N ATOM 1719 CA ASP A 105 -6.820 3.512 6.701 1.00 40.40 C ATOM 1720 C ASP A 105 -6.628 3.570 5.183 1.00 12.02 C ATOM 1721 O ASP A 105 -5.525 3.352 4.685 1.00 3.22 O ATOM 1722 CB ASP A 105 -5.603 4.174 7.423 1.00 2.20 C ATOM 1723 CG ASP A 105 -5.687 4.122 8.956 1.00 51.02 C ATOM 1724 OD1 ASP A 105 -5.202 3.138 9.556 1.00 43.13 O ATOM 1725 OD2 ASP A 105 -6.243 5.067 9.568 1.00 41.41 O ATOM 0 H ASP A 105 -6.142 1.695 7.527 1.00 31.41 H new ATOM 0 HA ASP A 105 -7.710 4.065 7.002 1.00 40.40 H new ATOM 0 HB2 ASP A 105 -4.688 3.677 7.102 1.00 2.20 H new ATOM 0 HB3 ASP A 105 -5.528 5.215 7.108 1.00 2.20 H new ATOM 1730 N VAL A 106 -7.702 3.863 4.443 1.00 61.41 N ATOM 1731 CA VAL A 106 -7.677 3.797 2.980 1.00 52.42 C ATOM 1732 C VAL A 106 -7.608 5.209 2.399 1.00 71.32 C ATOM 1733 O VAL A 106 -8.492 6.028 2.640 1.00 13.24 O ATOM 1734 CB VAL A 106 -8.920 3.013 2.404 1.00 74.05 C ATOM 1735 CG1 VAL A 106 -8.804 2.862 0.871 1.00 21.42 C ATOM 1736 CG2 VAL A 106 -9.053 1.629 3.076 1.00 61.34 C ATOM 0 H VAL A 106 -8.600 4.148 4.834 1.00 61.41 H new ATOM 0 HA VAL A 106 -6.787 3.243 2.682 1.00 52.42 H new ATOM 0 HB VAL A 106 -9.819 3.588 2.627 1.00 74.05 H new ATOM 0 HG11 VAL A 106 -9.670 2.319 0.492 1.00 21.42 H new ATOM 0 HG12 VAL A 106 -8.765 3.849 0.410 1.00 21.42 H new ATOM 0 HG13 VAL A 106 -7.895 2.311 0.627 1.00 21.42 H new ATOM 0 HG21 VAL A 106 -9.916 1.106 2.664 1.00 61.34 H new ATOM 0 HG22 VAL A 106 -8.152 1.045 2.889 1.00 61.34 H new ATOM 0 HG23 VAL A 106 -9.185 1.757 4.150 1.00 61.34 H new ATOM 1746 N TYR A 107 -6.522 5.491 1.671 1.00 31.21 N ATOM 1747 CA TYR A 107 -6.348 6.745 0.933 1.00 45.44 C ATOM 1748 C TYR A 107 -6.706 6.526 -0.542 1.00 14.14 C ATOM 1749 O TYR A 107 -6.592 5.411 -1.072 1.00 3.23 O ATOM 1750 CB TYR A 107 -4.889 7.252 1.055 1.00 15.03 C ATOM 1751 CG TYR A 107 -4.433 7.561 2.493 1.00 63.23 C ATOM 1752 CD1 TYR A 107 -5.257 8.252 3.382 1.00 62.23 C ATOM 1753 CD2 TYR A 107 -3.173 7.177 2.949 1.00 64.35 C ATOM 1754 CE1 TYR A 107 -4.841 8.547 4.668 1.00 64.50 C ATOM 1755 CE2 TYR A 107 -2.753 7.465 4.236 1.00 43.20 C ATOM 1756 CZ TYR A 107 -3.589 8.148 5.092 1.00 43.20 C ATOM 1757 OH TYR A 107 -3.172 8.445 6.374 1.00 43.15 O ATOM 0 H TYR A 107 -5.734 4.850 1.577 1.00 31.21 H new ATOM 0 HA TYR A 107 -7.010 7.499 1.359 1.00 45.44 H new ATOM 0 HB2 TYR A 107 -4.222 6.502 0.630 1.00 15.03 H new ATOM 0 HB3 TYR A 107 -4.781 8.154 0.452 1.00 15.03 H new ATOM 0 HD1 TYR A 107 -6.240 8.563 3.060 1.00 62.23 H new ATOM 0 HD2 TYR A 107 -2.510 6.643 2.284 1.00 64.35 H new ATOM 0 HE1 TYR A 107 -5.493 9.087 5.338 1.00 64.50 H new ATOM 0 HE2 TYR A 107 -1.773 7.155 4.568 1.00 43.20 H new ATOM 0 HH TYR A 107 -3.949 8.483 6.970 1.00 43.15 H new ATOM 1767 N THR A 108 -7.161 7.597 -1.185 1.00 53.42 N ATOM 1768 CA THR A 108 -7.408 7.643 -2.630 1.00 11.23 C ATOM 1769 C THR A 108 -6.457 8.657 -3.282 1.00 51.12 C ATOM 1770 O THR A 108 -5.808 9.458 -2.598 1.00 63.21 O ATOM 1771 CB THR A 108 -8.892 8.044 -2.935 1.00 12.41 C ATOM 1772 OG1 THR A 108 -9.247 9.219 -2.187 1.00 1.51 O ATOM 1773 CG2 THR A 108 -9.873 6.912 -2.613 1.00 35.23 C ATOM 0 H THR A 108 -7.374 8.475 -0.712 1.00 53.42 H new ATOM 0 HA THR A 108 -7.229 6.649 -3.041 1.00 11.23 H new ATOM 0 HB THR A 108 -8.961 8.249 -4.003 1.00 12.41 H new ATOM 0 HG1 THR A 108 -10.175 9.464 -2.384 1.00 1.51 H new ATOM 0 HG21 THR A 108 -10.889 7.235 -2.840 1.00 35.23 H new ATOM 0 HG22 THR A 108 -9.628 6.036 -3.214 1.00 35.23 H new ATOM 0 HG23 THR A 108 -9.801 6.658 -1.555 1.00 35.23 H new ATOM 1781 N SER A 109 -6.374 8.593 -4.610 1.00 44.20 N ATOM 1782 CA SER A 109 -5.665 9.583 -5.426 1.00 54.42 C ATOM 1783 C SER A 109 -6.598 10.090 -6.531 1.00 23.51 C ATOM 1784 O SER A 109 -7.753 9.691 -6.584 1.00 54.42 O ATOM 1785 CB SER A 109 -4.397 8.944 -6.023 1.00 3.01 C ATOM 1786 OG SER A 109 -4.715 7.842 -6.833 1.00 73.21 O ATOM 0 H SER A 109 -6.801 7.845 -5.157 1.00 44.20 H new ATOM 0 HA SER A 109 -5.364 10.431 -4.810 1.00 54.42 H new ATOM 0 HB2 SER A 109 -3.855 9.686 -6.610 1.00 3.01 H new ATOM 0 HB3 SER A 109 -3.733 8.627 -5.218 1.00 3.01 H new ATOM 0 HG SER A 109 -4.263 7.930 -7.698 1.00 73.21 H new ATOM 1792 N ARG A 110 -6.117 11.015 -7.358 1.00 12.10 N ATOM 1793 CA ARG A 110 -6.761 11.348 -8.646 1.00 75.04 C ATOM 1794 C ARG A 110 -5.836 10.863 -9.765 1.00 2.12 C ATOM 1795 O ARG A 110 -6.288 10.458 -10.842 1.00 1.31 O ATOM 1796 CB ARG A 110 -7.033 12.874 -8.746 1.00 55.05 C ATOM 1797 CG ARG A 110 -7.935 13.291 -9.931 1.00 43.14 C ATOM 1798 CD ARG A 110 -9.321 12.619 -9.879 1.00 53.24 C ATOM 1799 NE ARG A 110 -9.983 12.834 -8.581 1.00 22.11 N ATOM 1800 CZ ARG A 110 -11.021 12.128 -8.105 1.00 2.25 C ATOM 1801 NH1 ARG A 110 -11.570 11.140 -8.808 1.00 24.42 N ATOM 1802 NH2 ARG A 110 -11.509 12.416 -6.907 1.00 15.14 N ATOM 0 H ARG A 110 -5.275 11.557 -7.165 1.00 12.10 H new ATOM 0 HA ARG A 110 -7.729 10.855 -8.731 1.00 75.04 H new ATOM 0 HB2 ARG A 110 -7.497 13.209 -7.818 1.00 55.05 H new ATOM 0 HB3 ARG A 110 -6.079 13.395 -8.832 1.00 55.05 H new ATOM 0 HG2 ARG A 110 -8.059 14.374 -9.926 1.00 43.14 H new ATOM 0 HG3 ARG A 110 -7.443 13.031 -10.868 1.00 43.14 H new ATOM 0 HD2 ARG A 110 -9.948 13.016 -10.677 1.00 53.24 H new ATOM 0 HD3 ARG A 110 -9.214 11.549 -10.060 1.00 53.24 H new ATOM 0 HE ARG A 110 -9.621 13.585 -7.993 1.00 22.11 H new ATOM 0 HH11 ARG A 110 -11.203 10.905 -9.730 1.00 24.42 H new ATOM 0 HH12 ARG A 110 -12.358 10.618 -8.425 1.00 24.42 H new ATOM 0 HH21 ARG A 110 -11.096 13.168 -6.356 1.00 15.14 H new ATOM 0 HH22 ARG A 110 -12.297 11.885 -6.536 1.00 15.14 H new ATOM 1816 N ASN A 111 -4.526 10.915 -9.468 1.00 2.23 N ATOM 1817 CA ASN A 111 -3.462 10.383 -10.325 1.00 1.43 C ATOM 1818 C ASN A 111 -2.195 10.163 -9.462 1.00 43.13 C ATOM 1819 O ASN A 111 -2.278 10.158 -8.221 1.00 31.11 O ATOM 1820 CB ASN A 111 -3.205 11.345 -11.528 1.00 23.43 C ATOM 1821 CG ASN A 111 -2.588 12.688 -11.120 1.00 1.53 C ATOM 1822 OD1 ASN A 111 -1.371 12.847 -11.116 1.00 45.45 O ATOM 1823 ND2 ASN A 111 -3.411 13.648 -10.744 1.00 0.35 N ATOM 0 H ASN A 111 -4.175 11.337 -8.608 1.00 2.23 H new ATOM 0 HA ASN A 111 -3.757 9.424 -10.751 1.00 1.43 H new ATOM 0 HB2 ASN A 111 -2.544 10.853 -12.241 1.00 23.43 H new ATOM 0 HB3 ASN A 111 -4.148 11.529 -12.043 1.00 23.43 H new ATOM 0 HD21 ASN A 111 -3.040 14.548 -10.441 1.00 0.35 H new ATOM 0 HD22 ASN A 111 -4.419 13.490 -10.757 1.00 0.35 H new ATOM 1830 N GLU A 112 -1.041 9.993 -10.138 1.00 51.13 N ATOM 1831 CA GLU A 112 0.265 9.718 -9.515 1.00 11.30 C ATOM 1832 C GLU A 112 0.678 10.782 -8.465 1.00 61.34 C ATOM 1833 O GLU A 112 1.361 10.449 -7.495 1.00 13.20 O ATOM 1834 CB GLU A 112 1.330 9.638 -10.631 1.00 61.25 C ATOM 1835 CG GLU A 112 2.739 9.221 -10.174 1.00 11.24 C ATOM 1836 CD GLU A 112 3.788 9.471 -11.256 1.00 52.31 C ATOM 1837 OE1 GLU A 112 3.697 8.839 -12.332 1.00 5.35 O ATOM 1838 OE2 GLU A 112 4.690 10.310 -11.043 1.00 62.34 O ATOM 0 H GLU A 112 -0.992 10.045 -11.156 1.00 51.13 H new ATOM 0 HA GLU A 112 0.186 8.774 -8.976 1.00 11.30 H new ATOM 0 HB2 GLU A 112 0.988 8.930 -11.386 1.00 61.25 H new ATOM 0 HB3 GLU A 112 1.398 10.612 -11.115 1.00 61.25 H new ATOM 0 HG2 GLU A 112 3.007 9.775 -9.274 1.00 11.24 H new ATOM 0 HG3 GLU A 112 2.736 8.164 -9.909 1.00 11.24 H new ATOM 1845 N ASP A 113 0.261 12.049 -8.674 1.00 43.21 N ATOM 1846 CA ASP A 113 0.583 13.177 -7.771 1.00 71.12 C ATOM 1847 C ASP A 113 0.028 12.944 -6.357 1.00 25.11 C ATOM 1848 O ASP A 113 0.770 12.997 -5.380 1.00 20.41 O ATOM 1849 CB ASP A 113 0.012 14.514 -8.336 1.00 34.23 C ATOM 1850 CG ASP A 113 0.772 15.074 -9.550 1.00 50.42 C ATOM 1851 OD1 ASP A 113 1.120 14.300 -10.467 1.00 24.14 O ATOM 1852 OD2 ASP A 113 1.006 16.300 -9.607 1.00 2.41 O ATOM 0 H ASP A 113 -0.310 12.320 -9.475 1.00 43.21 H new ATOM 0 HA ASP A 113 1.669 13.242 -7.711 1.00 71.12 H new ATOM 0 HB2 ASP A 113 -1.030 14.359 -8.616 1.00 34.23 H new ATOM 0 HB3 ASP A 113 0.021 15.261 -7.543 1.00 34.23 H new ATOM 1857 N GLU A 114 -1.284 12.657 -6.280 1.00 34.51 N ATOM 1858 CA GLU A 114 -1.989 12.418 -5.002 1.00 72.31 C ATOM 1859 C GLU A 114 -1.499 11.123 -4.358 1.00 11.11 C ATOM 1860 O GLU A 114 -1.398 11.037 -3.144 1.00 25.25 O ATOM 1861 CB GLU A 114 -3.525 12.366 -5.208 1.00 52.11 C ATOM 1862 CG GLU A 114 -4.192 13.704 -5.584 1.00 15.44 C ATOM 1863 CD GLU A 114 -3.771 14.232 -6.965 1.00 41.35 C ATOM 1864 OE1 GLU A 114 -3.784 13.442 -7.934 1.00 21.23 O ATOM 1865 OE2 GLU A 114 -3.448 15.426 -7.095 1.00 40.33 O ATOM 0 H GLU A 114 -1.887 12.584 -7.099 1.00 34.51 H new ATOM 0 HA GLU A 114 -1.766 13.252 -4.336 1.00 72.31 H new ATOM 0 HB2 GLU A 114 -3.744 11.639 -5.990 1.00 52.11 H new ATOM 0 HB3 GLU A 114 -3.984 11.997 -4.291 1.00 52.11 H new ATOM 0 HG2 GLU A 114 -5.275 13.579 -5.566 1.00 15.44 H new ATOM 0 HG3 GLU A 114 -3.945 14.449 -4.828 1.00 15.44 H new ATOM 1872 N ALA A 115 -1.180 10.136 -5.201 1.00 41.21 N ATOM 1873 CA ALA A 115 -0.629 8.841 -4.771 1.00 41.41 C ATOM 1874 C ALA A 115 0.732 9.019 -4.075 1.00 31.32 C ATOM 1875 O ALA A 115 1.033 8.361 -3.076 1.00 60.43 O ATOM 1876 CB ALA A 115 -0.483 7.942 -5.993 1.00 60.11 C ATOM 0 H ALA A 115 -1.297 10.211 -6.211 1.00 41.21 H new ATOM 0 HA ALA A 115 -1.309 8.386 -4.051 1.00 41.41 H new ATOM 0 HB1 ALA A 115 -0.075 6.978 -5.689 1.00 60.11 H new ATOM 0 HB2 ALA A 115 -1.459 7.794 -6.454 1.00 60.11 H new ATOM 0 HB3 ALA A 115 0.190 8.410 -6.711 1.00 60.11 H new ATOM 1882 N LYS A 116 1.524 9.942 -4.634 1.00 23.02 N ATOM 1883 CA LYS A 116 2.866 10.303 -4.154 1.00 24.55 C ATOM 1884 C LYS A 116 2.774 11.051 -2.810 1.00 32.10 C ATOM 1885 O LYS A 116 3.614 10.864 -1.923 1.00 30.11 O ATOM 1886 CB LYS A 116 3.538 11.160 -5.262 1.00 54.41 C ATOM 1887 CG LYS A 116 4.985 11.616 -5.001 1.00 71.42 C ATOM 1888 CD LYS A 116 5.600 12.383 -6.212 1.00 41.33 C ATOM 1889 CE LYS A 116 6.011 11.482 -7.410 1.00 45.23 C ATOM 1890 NZ LYS A 116 4.876 10.783 -8.084 1.00 4.33 N ATOM 0 H LYS A 116 1.242 10.475 -5.457 1.00 23.02 H new ATOM 0 HA LYS A 116 3.471 9.416 -3.966 1.00 24.55 H new ATOM 0 HB2 LYS A 116 3.524 10.588 -6.190 1.00 54.41 H new ATOM 0 HB3 LYS A 116 2.926 12.047 -5.424 1.00 54.41 H new ATOM 0 HG2 LYS A 116 5.006 12.258 -4.120 1.00 71.42 H new ATOM 0 HG3 LYS A 116 5.601 10.746 -4.776 1.00 71.42 H new ATOM 0 HD2 LYS A 116 4.879 13.122 -6.561 1.00 41.33 H new ATOM 0 HD3 LYS A 116 6.477 12.932 -5.870 1.00 41.33 H new ATOM 0 HE2 LYS A 116 6.531 12.095 -8.146 1.00 45.23 H new ATOM 0 HE3 LYS A 116 6.722 10.735 -7.058 1.00 45.23 H new ATOM 0 HZ1 LYS A 116 5.088 10.672 -9.096 1.00 4.33 H new ATOM 0 HZ2 LYS A 116 4.741 9.846 -7.654 1.00 4.33 H new ATOM 0 HZ3 LYS A 116 4.007 11.344 -7.972 1.00 4.33 H new ATOM 1904 N LYS A 117 1.713 11.874 -2.672 1.00 13.43 N ATOM 1905 CA LYS A 117 1.405 12.606 -1.432 1.00 5.21 C ATOM 1906 C LYS A 117 0.999 11.623 -0.323 1.00 13.22 C ATOM 1907 O LYS A 117 1.618 11.597 0.734 1.00 54.52 O ATOM 1908 CB LYS A 117 0.260 13.630 -1.685 1.00 4.12 C ATOM 1909 CG LYS A 117 0.614 14.716 -2.720 1.00 11.02 C ATOM 1910 CD LYS A 117 -0.609 15.559 -3.159 1.00 74.04 C ATOM 1911 CE LYS A 117 -0.283 16.513 -4.323 1.00 22.51 C ATOM 1912 NZ LYS A 117 0.830 17.448 -3.998 1.00 64.52 N ATOM 0 H LYS A 117 1.045 12.048 -3.423 1.00 13.43 H new ATOM 0 HA LYS A 117 2.296 13.146 -1.113 1.00 5.21 H new ATOM 0 HB2 LYS A 117 -0.626 13.094 -2.024 1.00 4.12 H new ATOM 0 HB3 LYS A 117 0.000 14.111 -0.742 1.00 4.12 H new ATOM 0 HG2 LYS A 117 1.371 15.377 -2.299 1.00 11.02 H new ATOM 0 HG3 LYS A 117 1.056 14.243 -3.597 1.00 11.02 H new ATOM 0 HD2 LYS A 117 -1.418 14.892 -3.457 1.00 74.04 H new ATOM 0 HD3 LYS A 117 -0.970 16.138 -2.309 1.00 74.04 H new ATOM 0 HE2 LYS A 117 -0.017 15.929 -5.204 1.00 22.51 H new ATOM 0 HE3 LYS A 117 -1.173 17.088 -4.578 1.00 22.51 H new ATOM 0 HZ1 LYS A 117 0.988 18.091 -4.800 1.00 64.52 H new ATOM 0 HZ2 LYS A 117 0.582 18.002 -3.153 1.00 64.52 H new ATOM 0 HZ3 LYS A 117 1.697 16.905 -3.814 1.00 64.52 H new ATOM 1926 N LYS A 118 -0.001 10.768 -0.623 1.00 51.13 N ATOM 1927 CA LYS A 118 -0.646 9.876 0.366 1.00 2.30 C ATOM 1928 C LYS A 118 0.292 8.780 0.861 1.00 3.55 C ATOM 1929 O LYS A 118 0.128 8.285 1.982 1.00 72.32 O ATOM 1930 CB LYS A 118 -1.950 9.255 -0.215 1.00 20.12 C ATOM 1931 CG LYS A 118 -3.029 10.301 -0.571 1.00 50.20 C ATOM 1932 CD LYS A 118 -3.396 11.217 0.626 1.00 12.02 C ATOM 1933 CE LYS A 118 -4.186 12.466 0.202 1.00 74.22 C ATOM 1934 NZ LYS A 118 -4.323 13.422 1.336 1.00 35.40 N ATOM 0 H LYS A 118 -0.386 10.676 -1.563 1.00 51.13 H new ATOM 0 HA LYS A 118 -0.902 10.494 1.227 1.00 2.30 H new ATOM 0 HB2 LYS A 118 -1.703 8.682 -1.109 1.00 20.12 H new ATOM 0 HB3 LYS A 118 -2.362 8.553 0.510 1.00 20.12 H new ATOM 0 HG2 LYS A 118 -2.674 10.916 -1.398 1.00 50.20 H new ATOM 0 HG3 LYS A 118 -3.926 9.788 -0.918 1.00 50.20 H new ATOM 0 HD2 LYS A 118 -3.984 10.648 1.346 1.00 12.02 H new ATOM 0 HD3 LYS A 118 -2.483 11.526 1.134 1.00 12.02 H new ATOM 0 HE2 LYS A 118 -3.681 12.955 -0.631 1.00 74.22 H new ATOM 0 HE3 LYS A 118 -5.174 12.173 -0.152 1.00 74.22 H new ATOM 0 HZ1 LYS A 118 -5.010 14.161 1.086 1.00 35.40 H new ATOM 0 HZ2 LYS A 118 -4.654 12.914 2.181 1.00 35.40 H new ATOM 0 HZ3 LYS A 118 -3.401 13.860 1.535 1.00 35.40 H new ATOM 1948 N LEU A 119 1.255 8.395 0.010 1.00 1.23 N ATOM 1949 CA LEU A 119 2.286 7.412 0.368 1.00 43.24 C ATOM 1950 C LEU A 119 3.193 8.021 1.449 1.00 31.12 C ATOM 1951 O LEU A 119 3.433 7.402 2.486 1.00 23.41 O ATOM 1952 CB LEU A 119 3.084 6.972 -0.902 1.00 22.31 C ATOM 1953 CG LEU A 119 3.818 5.584 -0.828 1.00 64.01 C ATOM 1954 CD1 LEU A 119 4.257 5.112 -2.226 1.00 20.01 C ATOM 1955 CD2 LEU A 119 5.021 5.609 0.136 1.00 3.13 C ATOM 0 H LEU A 119 1.340 8.755 -0.941 1.00 1.23 H new ATOM 0 HA LEU A 119 1.827 6.510 0.774 1.00 43.24 H new ATOM 0 HB2 LEU A 119 2.394 6.948 -1.746 1.00 22.31 H new ATOM 0 HB3 LEU A 119 3.827 7.739 -1.120 1.00 22.31 H new ATOM 0 HG LEU A 119 3.097 4.870 -0.430 1.00 64.01 H new ATOM 0 HD11 LEU A 119 4.762 4.150 -2.143 1.00 20.01 H new ATOM 0 HD12 LEU A 119 3.381 5.009 -2.867 1.00 20.01 H new ATOM 0 HD13 LEU A 119 4.939 5.843 -2.659 1.00 20.01 H new ATOM 0 HD21 LEU A 119 5.495 4.627 0.152 1.00 3.13 H new ATOM 0 HD22 LEU A 119 5.742 6.354 -0.201 1.00 3.13 H new ATOM 0 HD23 LEU A 119 4.678 5.863 1.139 1.00 3.13 H new ATOM 1967 N LYS A 120 3.653 9.258 1.201 1.00 13.22 N ATOM 1968 CA LYS A 120 4.505 10.004 2.146 1.00 65.34 C ATOM 1969 C LYS A 120 3.733 10.402 3.414 1.00 73.50 C ATOM 1970 O LYS A 120 4.321 10.489 4.489 1.00 53.32 O ATOM 1971 CB LYS A 120 5.111 11.247 1.454 1.00 2.34 C ATOM 1972 CG LYS A 120 6.052 10.897 0.282 1.00 71.44 C ATOM 1973 CD LYS A 120 6.625 12.155 -0.404 1.00 22.12 C ATOM 1974 CE LYS A 120 7.534 11.824 -1.597 1.00 0.14 C ATOM 1975 NZ LYS A 120 8.189 13.040 -2.157 1.00 31.31 N ATOM 0 H LYS A 120 3.446 9.769 0.343 1.00 13.22 H new ATOM 0 HA LYS A 120 5.317 9.347 2.457 1.00 65.34 H new ATOM 0 HB2 LYS A 120 4.303 11.879 1.085 1.00 2.34 H new ATOM 0 HB3 LYS A 120 5.662 11.832 2.191 1.00 2.34 H new ATOM 0 HG2 LYS A 120 6.872 10.280 0.649 1.00 71.44 H new ATOM 0 HG3 LYS A 120 5.509 10.301 -0.452 1.00 71.44 H new ATOM 0 HD2 LYS A 120 5.802 12.784 -0.744 1.00 22.12 H new ATOM 0 HD3 LYS A 120 7.189 12.736 0.326 1.00 22.12 H new ATOM 0 HE2 LYS A 120 8.298 11.113 -1.284 1.00 0.14 H new ATOM 0 HE3 LYS A 120 6.947 11.338 -2.376 1.00 0.14 H new ATOM 0 HZ1 LYS A 120 8.711 12.787 -3.020 1.00 31.31 H new ATOM 0 HZ2 LYS A 120 7.465 13.750 -2.387 1.00 31.31 H new ATOM 0 HZ3 LYS A 120 8.849 13.433 -1.456 1.00 31.31 H new ATOM 1989 N GLU A 121 2.413 10.615 3.268 1.00 2.05 N ATOM 1990 CA GLU A 121 1.513 10.905 4.403 1.00 63.43 C ATOM 1991 C GLU A 121 1.338 9.659 5.278 1.00 23.21 C ATOM 1992 O GLU A 121 1.249 9.769 6.492 1.00 51.15 O ATOM 1993 CB GLU A 121 0.141 11.453 3.911 1.00 74.23 C ATOM 1994 CG GLU A 121 0.222 12.873 3.308 1.00 41.45 C ATOM 1995 CD GLU A 121 -1.123 13.390 2.773 1.00 23.42 C ATOM 1996 OE1 GLU A 121 -2.083 13.490 3.559 1.00 11.13 O ATOM 1997 OE2 GLU A 121 -1.237 13.686 1.564 1.00 64.01 O ATOM 0 H GLU A 121 1.940 10.592 2.365 1.00 2.05 H new ATOM 0 HA GLU A 121 1.971 11.685 5.012 1.00 63.43 H new ATOM 0 HB2 GLU A 121 -0.265 10.772 3.163 1.00 74.23 H new ATOM 0 HB3 GLU A 121 -0.558 11.462 4.747 1.00 74.23 H new ATOM 0 HG2 GLU A 121 0.590 13.562 4.069 1.00 41.45 H new ATOM 0 HG3 GLU A 121 0.951 12.874 2.498 1.00 41.45 H new ATOM 2004 N ALA A 122 1.335 8.478 4.645 1.00 11.44 N ATOM 2005 CA ALA A 122 1.303 7.182 5.347 1.00 74.42 C ATOM 2006 C ALA A 122 2.634 6.924 6.080 1.00 70.03 C ATOM 2007 O ALA A 122 2.664 6.292 7.145 1.00 34.31 O ATOM 2008 CB ALA A 122 1.002 6.066 4.349 1.00 64.44 C ATOM 0 H ALA A 122 1.355 8.391 3.629 1.00 11.44 H new ATOM 0 HA ALA A 122 0.513 7.204 6.098 1.00 74.42 H new ATOM 0 HB1 ALA A 122 0.979 5.109 4.870 1.00 64.44 H new ATOM 0 HB2 ALA A 122 0.035 6.248 3.881 1.00 64.44 H new ATOM 0 HB3 ALA A 122 1.777 6.044 3.583 1.00 64.44 H new ATOM 2014 N LEU A 123 3.727 7.441 5.488 1.00 3.11 N ATOM 2015 CA LEU A 123 5.070 7.435 6.093 1.00 73.54 C ATOM 2016 C LEU A 123 5.138 8.442 7.270 1.00 35.24 C ATOM 2017 O LEU A 123 5.923 8.280 8.196 1.00 63.50 O ATOM 2018 CB LEU A 123 6.143 7.748 5.007 1.00 34.42 C ATOM 2019 CG LEU A 123 6.259 6.702 3.844 1.00 65.42 C ATOM 2020 CD1 LEU A 123 7.161 7.210 2.699 1.00 61.14 C ATOM 2021 CD2 LEU A 123 6.753 5.344 4.363 1.00 62.13 C ATOM 0 H LEU A 123 3.701 7.879 4.567 1.00 3.11 H new ATOM 0 HA LEU A 123 5.278 6.444 6.497 1.00 73.54 H new ATOM 0 HB2 LEU A 123 5.921 8.723 4.573 1.00 34.42 H new ATOM 0 HB3 LEU A 123 7.114 7.830 5.495 1.00 34.42 H new ATOM 0 HG LEU A 123 5.257 6.568 3.437 1.00 65.42 H new ATOM 0 HD11 LEU A 123 7.214 6.455 1.915 1.00 61.14 H new ATOM 0 HD12 LEU A 123 6.745 8.130 2.289 1.00 61.14 H new ATOM 0 HD13 LEU A 123 8.162 7.404 3.083 1.00 61.14 H new ATOM 0 HD21 LEU A 123 6.823 4.641 3.533 1.00 62.13 H new ATOM 0 HD22 LEU A 123 7.735 5.465 4.820 1.00 62.13 H new ATOM 0 HD23 LEU A 123 6.052 4.961 5.105 1.00 62.13 H new ATOM 2033 N GLU A 124 4.316 9.499 7.217 1.00 21.33 N ATOM 2034 CA GLU A 124 4.157 10.449 8.340 1.00 42.40 C ATOM 2035 C GLU A 124 3.284 9.839 9.456 1.00 2.41 C ATOM 2036 O GLU A 124 3.495 10.123 10.637 1.00 74.23 O ATOM 2037 CB GLU A 124 3.564 11.783 7.833 1.00 72.33 C ATOM 2038 CG GLU A 124 4.493 12.569 6.886 1.00 41.21 C ATOM 2039 CD GLU A 124 3.858 13.860 6.368 1.00 72.52 C ATOM 2040 OE1 GLU A 124 3.005 13.779 5.466 1.00 12.34 O ATOM 2041 OE2 GLU A 124 4.190 14.955 6.873 1.00 45.12 O ATOM 0 H GLU A 124 3.744 9.724 6.403 1.00 21.33 H new ATOM 0 HA GLU A 124 5.140 10.653 8.765 1.00 42.40 H new ATOM 0 HB2 GLU A 124 2.627 11.578 7.316 1.00 72.33 H new ATOM 0 HB3 GLU A 124 3.324 12.410 8.691 1.00 72.33 H new ATOM 0 HG2 GLU A 124 5.418 12.809 7.410 1.00 41.21 H new ATOM 0 HG3 GLU A 124 4.761 11.936 6.040 1.00 41.21 H new ATOM 2048 N LYS A 125 2.321 8.972 9.065 1.00 11.44 N ATOM 2049 CA LYS A 125 1.438 8.260 10.018 1.00 53.33 C ATOM 2050 C LYS A 125 2.174 7.097 10.715 1.00 61.13 C ATOM 2051 O LYS A 125 1.681 6.560 11.711 1.00 75.12 O ATOM 2052 CB LYS A 125 0.159 7.734 9.310 1.00 10.04 C ATOM 2053 CG LYS A 125 -0.742 8.828 8.698 1.00 72.12 C ATOM 2054 CD LYS A 125 -1.135 9.943 9.698 1.00 4.21 C ATOM 2055 CE LYS A 125 -1.973 11.046 9.030 1.00 10.04 C ATOM 2056 NZ LYS A 125 -2.253 12.175 9.961 1.00 72.43 N ATOM 0 H LYS A 125 2.135 8.748 8.088 1.00 11.44 H new ATOM 0 HA LYS A 125 1.144 8.981 10.781 1.00 53.33 H new ATOM 0 HB2 LYS A 125 0.456 7.045 8.520 1.00 10.04 H new ATOM 0 HB3 LYS A 125 -0.427 7.161 10.029 1.00 10.04 H new ATOM 0 HG2 LYS A 125 -0.226 9.278 7.850 1.00 72.12 H new ATOM 0 HG3 LYS A 125 -1.649 8.364 8.310 1.00 72.12 H new ATOM 0 HD2 LYS A 125 -1.700 9.508 10.523 1.00 4.21 H new ATOM 0 HD3 LYS A 125 -0.233 10.381 10.125 1.00 4.21 H new ATOM 0 HE2 LYS A 125 -1.445 11.421 8.153 1.00 10.04 H new ATOM 0 HE3 LYS A 125 -2.914 10.624 8.679 1.00 10.04 H new ATOM 0 HZ1 LYS A 125 -2.820 12.896 9.471 1.00 72.43 H new ATOM 0 HZ2 LYS A 125 -2.779 11.822 10.786 1.00 72.43 H new ATOM 0 HZ3 LYS A 125 -1.356 12.595 10.277 1.00 72.43 H new ATOM 2070 N SER A 126 3.334 6.705 10.168 1.00 12.42 N ATOM 2071 CA SER A 126 4.223 5.701 10.790 1.00 12.14 C ATOM 2072 C SER A 126 5.279 6.358 11.694 1.00 44.44 C ATOM 2073 O SER A 126 6.045 5.662 12.364 1.00 75.54 O ATOM 2074 CB SER A 126 4.904 4.880 9.690 1.00 13.32 C ATOM 2075 OG SER A 126 5.652 5.693 8.815 1.00 55.33 O ATOM 0 H SER A 126 3.686 7.072 9.284 1.00 12.42 H new ATOM 0 HA SER A 126 3.617 5.049 11.419 1.00 12.14 H new ATOM 0 HB2 SER A 126 5.559 4.137 10.144 1.00 13.32 H new ATOM 0 HB3 SER A 126 4.149 4.335 9.123 1.00 13.32 H new ATOM 0 HG SER A 126 5.535 6.634 9.063 1.00 55.33 H new ATOM 2081 N GLY A 127 5.321 7.703 11.681 1.00 11.31 N ATOM 2082 CA GLY A 127 6.264 8.473 12.490 1.00 62.14 C ATOM 2083 C GLY A 127 7.634 8.647 11.835 1.00 25.51 C ATOM 2084 O GLY A 127 8.593 9.047 12.502 1.00 32.45 O ATOM 0 H GLY A 127 4.702 8.278 11.110 1.00 11.31 H new ATOM 0 HA2 GLY A 127 5.839 9.457 12.690 1.00 62.14 H new ATOM 0 HA3 GLY A 127 6.391 7.979 13.453 1.00 62.14 H new ATOM 2088 N SER A 128 7.728 8.342 10.526 1.00 3.21 N ATOM 2089 CA SER A 128 8.966 8.522 9.747 1.00 35.41 C ATOM 2090 C SER A 128 9.103 9.995 9.314 1.00 2.24 C ATOM 2091 O SER A 128 10.092 10.659 9.651 1.00 74.30 O ATOM 2092 CB SER A 128 8.954 7.600 8.511 1.00 45.33 C ATOM 2093 OG SER A 128 8.701 6.255 8.886 1.00 4.34 O ATOM 0 H SER A 128 6.951 7.966 9.982 1.00 3.21 H new ATOM 0 HA SER A 128 9.820 8.257 10.370 1.00 35.41 H new ATOM 0 HB2 SER A 128 8.191 7.936 7.809 1.00 45.33 H new ATOM 0 HB3 SER A 128 9.912 7.664 7.995 1.00 45.33 H new ATOM 0 HG SER A 128 7.734 6.111 8.956 1.00 4.34 H new ATOM 2099 N LEU A 129 8.062 10.484 8.582 1.00 62.13 N ATOM 2100 CA LEU A 129 7.988 11.855 8.020 1.00 23.34 C ATOM 2101 C LEU A 129 9.052 12.110 6.927 1.00 33.15 C ATOM 2102 O LEU A 129 9.981 11.320 6.736 1.00 12.03 O ATOM 2103 CB LEU A 129 8.045 12.958 9.126 1.00 64.34 C ATOM 2104 CG LEU A 129 6.751 13.150 9.997 1.00 34.22 C ATOM 2105 CD1 LEU A 129 6.538 12.013 11.021 1.00 62.54 C ATOM 2106 CD2 LEU A 129 6.771 14.518 10.687 1.00 32.13 C ATOM 0 H LEU A 129 7.239 9.923 8.365 1.00 62.13 H new ATOM 0 HA LEU A 129 7.011 11.923 7.541 1.00 23.34 H new ATOM 0 HB2 LEU A 129 8.874 12.727 9.795 1.00 64.34 H new ATOM 0 HB3 LEU A 129 8.277 13.909 8.647 1.00 64.34 H new ATOM 0 HG LEU A 129 5.901 13.108 9.317 1.00 34.22 H new ATOM 0 HD11 LEU A 129 5.629 12.203 11.592 1.00 62.54 H new ATOM 0 HD12 LEU A 129 6.445 11.063 10.495 1.00 62.54 H new ATOM 0 HD13 LEU A 129 7.390 11.970 11.700 1.00 62.54 H new ATOM 0 HD21 LEU A 129 5.868 14.636 11.287 1.00 32.13 H new ATOM 0 HD22 LEU A 129 7.647 14.587 11.332 1.00 32.13 H new ATOM 0 HD23 LEU A 129 6.812 15.305 9.934 1.00 32.13 H new ATOM 2118 N GLU A 130 8.879 13.226 6.207 1.00 2.31 N ATOM 2119 CA GLU A 130 9.844 13.717 5.203 1.00 12.12 C ATOM 2120 C GLU A 130 10.541 14.981 5.753 1.00 14.33 C ATOM 2121 O GLU A 130 10.136 15.518 6.799 1.00 44.44 O ATOM 2122 CB GLU A 130 9.093 14.029 3.866 1.00 61.41 C ATOM 2123 CG GLU A 130 9.997 14.411 2.669 1.00 72.21 C ATOM 2124 CD GLU A 130 9.232 14.660 1.357 1.00 31.12 C ATOM 2125 OE1 GLU A 130 8.498 15.667 1.269 1.00 72.31 O ATOM 2126 OE2 GLU A 130 9.395 13.882 0.394 1.00 23.14 O ATOM 0 H GLU A 130 8.058 13.823 6.303 1.00 2.31 H new ATOM 0 HA GLU A 130 10.600 12.958 5.002 1.00 12.12 H new ATOM 0 HB2 GLU A 130 8.502 13.156 3.589 1.00 61.41 H new ATOM 0 HB3 GLU A 130 8.392 14.844 4.045 1.00 61.41 H new ATOM 0 HG2 GLU A 130 10.560 15.309 2.925 1.00 72.21 H new ATOM 0 HG3 GLU A 130 10.724 13.615 2.508 1.00 72.21 H new ATOM 2133 N HIS A 131 11.620 15.420 5.067 1.00 14.45 N ATOM 2134 CA HIS A 131 12.260 16.721 5.310 1.00 3.24 C ATOM 2135 C HIS A 131 11.266 17.858 4.982 1.00 62.42 C ATOM 2136 O HIS A 131 11.166 18.322 3.842 1.00 41.13 O ATOM 2137 CB HIS A 131 13.576 16.851 4.484 1.00 2.14 C ATOM 2138 CG HIS A 131 14.252 18.199 4.583 1.00 44.02 C ATOM 2139 ND1 HIS A 131 14.514 18.790 5.797 1.00 10.55 N ATOM 2140 CD2 HIS A 131 14.686 19.021 3.592 1.00 51.03 C ATOM 2141 CE1 HIS A 131 15.082 19.951 5.516 1.00 64.52 C ATOM 2142 NE2 HIS A 131 15.205 20.130 4.197 1.00 31.11 N ATOM 0 H HIS A 131 12.068 14.877 4.329 1.00 14.45 H new ATOM 0 HA HIS A 131 12.532 16.797 6.363 1.00 3.24 H new ATOM 0 HB2 HIS A 131 14.275 16.084 4.816 1.00 2.14 H new ATOM 0 HB3 HIS A 131 13.353 16.647 3.437 1.00 2.14 H new ATOM 0 HD2 HIS A 131 14.631 18.833 2.530 1.00 51.03 H new ATOM 0 HE1 HIS A 131 15.406 20.665 6.259 1.00 64.52 H new ATOM 0 HE2 HIS A 131 15.610 20.942 3.730 1.00 31.11 H new ATOM 2150 N HIS A 132 10.462 18.204 5.987 1.00 4.11 N ATOM 2151 CA HIS A 132 9.563 19.370 5.968 1.00 2.10 C ATOM 2152 C HIS A 132 10.026 20.341 7.056 1.00 65.11 C ATOM 2153 O HIS A 132 10.286 21.522 6.792 1.00 31.12 O ATOM 2154 CB HIS A 132 8.086 18.944 6.235 1.00 30.15 C ATOM 2155 CG HIS A 132 7.498 17.972 5.238 1.00 3.22 C ATOM 2156 ND1 HIS A 132 6.638 16.978 5.641 1.00 44.55 N ATOM 2157 CD2 HIS A 132 7.637 17.908 3.890 1.00 42.23 C ATOM 2158 CE1 HIS A 132 6.276 16.342 4.542 1.00 52.22 C ATOM 2159 NE2 HIS A 132 6.856 16.867 3.456 1.00 41.45 N ATOM 0 H HIS A 132 10.412 17.674 6.857 1.00 4.11 H new ATOM 0 HA HIS A 132 9.600 19.842 4.986 1.00 2.10 H new ATOM 0 HB2 HIS A 132 8.029 18.498 7.228 1.00 30.15 H new ATOM 0 HB3 HIS A 132 7.465 19.840 6.252 1.00 30.15 H new ATOM 0 HD2 HIS A 132 8.247 18.554 3.275 1.00 42.23 H new ATOM 0 HE1 HIS A 132 5.597 15.503 4.522 1.00 52.22 H new ATOM 0 HE2 HIS A 132 6.740 16.554 2.492 1.00 41.45 H new ATOM 2167 N HIS A 133 10.130 19.795 8.294 1.00 65.01 N ATOM 2168 CA HIS A 133 10.443 20.558 9.525 1.00 63.34 C ATOM 2169 C HIS A 133 9.365 21.623 9.827 1.00 5.33 C ATOM 2170 O HIS A 133 9.617 22.622 10.501 1.00 24.22 O ATOM 2171 CB HIS A 133 11.889 21.144 9.483 1.00 74.22 C ATOM 2172 CG HIS A 133 12.967 20.091 9.635 1.00 42.13 C ATOM 2173 ND1 HIS A 133 13.547 19.428 8.572 1.00 33.14 N ATOM 2174 CD2 HIS A 133 13.559 19.578 10.750 1.00 52.21 C ATOM 2175 CE1 HIS A 133 14.436 18.561 9.025 1.00 45.42 C ATOM 2176 NE2 HIS A 133 14.463 18.635 10.335 1.00 25.13 N ATOM 0 H HIS A 133 9.997 18.798 8.465 1.00 65.01 H new ATOM 0 HA HIS A 133 10.421 19.862 10.364 1.00 63.34 H new ATOM 0 HB2 HIS A 133 12.034 21.668 8.538 1.00 74.22 H new ATOM 0 HB3 HIS A 133 11.998 21.882 10.277 1.00 74.22 H new ATOM 0 HD1 HIS A 133 13.324 19.583 7.589 1.00 33.14 H new ATOM 0 HD2 HIS A 133 13.354 19.862 11.772 1.00 52.21 H new ATOM 0 HE1 HIS A 133 15.039 17.902 8.418 1.00 45.42 H new ATOM 2185 N HIS A 134 8.147 21.352 9.331 1.00 11.33 N ATOM 2186 CA HIS A 134 6.927 22.122 9.632 1.00 52.03 C ATOM 2187 C HIS A 134 5.822 21.136 10.025 1.00 71.14 C ATOM 2188 O HIS A 134 5.960 19.920 9.814 1.00 22.32 O ATOM 2189 CB HIS A 134 6.471 22.967 8.409 1.00 44.33 C ATOM 2190 CG HIS A 134 7.376 24.123 8.055 1.00 44.25 C ATOM 2191 ND1 HIS A 134 7.142 25.415 8.478 1.00 2.22 N ATOM 2192 CD2 HIS A 134 8.502 24.186 7.299 1.00 41.12 C ATOM 2193 CE1 HIS A 134 8.075 26.209 8.002 1.00 23.33 C ATOM 2194 NE2 HIS A 134 8.908 25.492 7.286 1.00 13.32 N ATOM 0 H HIS A 134 7.978 20.573 8.694 1.00 11.33 H new ATOM 0 HA HIS A 134 7.134 22.814 10.448 1.00 52.03 H new ATOM 0 HB2 HIS A 134 6.391 22.310 7.543 1.00 44.33 H new ATOM 0 HB3 HIS A 134 5.472 23.356 8.608 1.00 44.33 H new ATOM 0 HD2 HIS A 134 8.987 23.359 6.801 1.00 41.12 H new ATOM 0 HE1 HIS A 134 8.144 27.273 8.172 1.00 23.33 H new ATOM 0 HE2 HIS A 134 9.728 25.851 6.797 1.00 13.32 H new ATOM 2203 N HIS A 135 4.727 21.661 10.595 1.00 30.33 N ATOM 2204 CA HIS A 135 3.546 20.854 10.935 1.00 12.35 C ATOM 2205 C HIS A 135 2.730 20.576 9.655 1.00 24.12 C ATOM 2206 O HIS A 135 1.794 21.310 9.331 1.00 12.43 O ATOM 2207 CB HIS A 135 2.677 21.563 12.023 1.00 12.22 C ATOM 2208 CG HIS A 135 3.309 21.642 13.394 1.00 33.14 C ATOM 2209 ND1 HIS A 135 2.663 21.231 14.548 1.00 22.15 N ATOM 2210 CD2 HIS A 135 4.514 22.109 13.801 1.00 63.34 C ATOM 2211 CE1 HIS A 135 3.438 21.443 15.590 1.00 13.03 C ATOM 2212 NE2 HIS A 135 4.563 21.973 15.163 1.00 61.14 N ATOM 0 H HIS A 135 4.635 22.649 10.832 1.00 30.33 H new ATOM 0 HA HIS A 135 3.872 19.903 11.356 1.00 12.35 H new ATOM 0 HB2 HIS A 135 2.452 22.574 11.684 1.00 12.22 H new ATOM 0 HB3 HIS A 135 1.727 21.036 12.107 1.00 12.22 H new ATOM 0 HD2 HIS A 135 5.291 22.513 13.169 1.00 63.34 H new ATOM 0 HE1 HIS A 135 3.193 21.220 16.618 1.00 13.03 H new ATOM 0 HE2 HIS A 135 5.350 22.241 15.754 1.00 61.14 H new ATOM 2221 N HIS A 136 3.145 19.547 8.889 1.00 51.43 N ATOM 2222 CA HIS A 136 2.449 19.126 7.660 1.00 14.22 C ATOM 2223 C HIS A 136 1.200 18.288 8.042 1.00 61.45 C ATOM 2224 O HIS A 136 1.350 17.098 8.406 1.00 72.21 O ATOM 2225 CB HIS A 136 3.404 18.342 6.719 1.00 74.11 C ATOM 2226 CG HIS A 136 2.751 17.885 5.433 1.00 32.35 C ATOM 2227 ND1 HIS A 136 2.293 16.600 5.244 1.00 3.05 N ATOM 2228 CD2 HIS A 136 2.468 18.545 4.281 1.00 12.03 C ATOM 2229 CE1 HIS A 136 1.764 16.482 4.049 1.00 33.11 C ATOM 2230 NE2 HIS A 136 1.856 17.644 3.443 1.00 55.24 N ATOM 2231 OXT HIS A 136 0.078 18.840 8.021 1.00 38.35 O ATOM 0 H HIS A 136 3.970 18.987 9.105 1.00 51.43 H new ATOM 0 HA HIS A 136 2.121 20.008 7.109 1.00 14.22 H new ATOM 0 HB2 HIS A 136 4.260 18.972 6.477 1.00 74.11 H new ATOM 0 HB3 HIS A 136 3.789 17.471 7.250 1.00 74.11 H new ATOM 0 HD2 HIS A 136 2.683 19.581 4.064 1.00 12.03 H new ATOM 0 HE1 HIS A 136 1.328 15.585 3.635 1.00 33.11 H new ATOM 0 HE2 HIS A 136 1.525 17.846 2.499 1.00 55.24 H new TER 2240 HIS A 136