USER MOD reduce.3.24.130724 H: found=0, std=0, add=945, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 945 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 68 CYS SG : rot 10:sc= -0.561 USER MOD Set 1.2: A 119 HIS : no HD1:sc= 0.606 K(o=2.4,f=-9.6!) USER MOD Set 1.3: A 131 HIS : no HD1:sc= 1.43 K(o=2.4,f=-15!) USER MOD Set 1.4: A 141 SER OG : rot -150:sc= 0.97 USER MOD Set 2.1: A 133 SER OG : rot -52:sc= 1.51 USER MOD Set 2.2: A 135 SER OG : rot 180:sc= -0.185 USER MOD Set 2.3: A 136 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 126 ASN : amide:sc= 0 K(o=-0.82,f=-1.9) USER MOD Set 3.2: A 127 ASN : amide:sc= -1.19 X(o=-0.82,f=-0.88) USER MOD Set 3.3: A 144 ASN : amide:sc= 0.37 X(o=-0.82,f=-0.88) USER MOD Set 4.1: A 47 GLN : amide:sc= -0.48 K(o=-1.3,f=-2.1) USER MOD Set 4.2: A 79 GLN : amide:sc= -0.84! C(o=-1.3!,f=-4.1!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 149:sc= -1.98 (180deg=-4.19!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 TYR OH : rot 180:sc= -0.0271 USER MOD Single : A 61 SER OG : rot 38:sc= 0.393 USER MOD Single : A 62 THR OG1 : rot 170:sc= -0.485 USER MOD Single : A 63 LYS NZ :NH3+ -118:sc= 1.27 (180deg=-0.0479) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 9:sc= 0.559 USER MOD Single : A 73 GLN : amide:sc= -1.55 K(o=-1.6,f=-5.7!) USER MOD Single : A 75 THR OG1 : rot 70:sc= 0.574 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot -110:sc= -0.3 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= 1.2 K(o=1.2,f=-3.1!) USER MOD Single : A 92 GLN : amide:sc= -0.99 K(o=-0.99,f=-0.15) USER MOD Single : A 94 MET CE :methyl 153:sc= -0.23 (180deg=-1.82) USER MOD Single : A 96 LYS NZ :NH3+ -168:sc=-0.00446 (180deg=-0.144) USER MOD Single : A 97 SER OG : rot -125:sc= 0.872 USER MOD Single : A 99 SER OG : rot 180:sc= -0.0913 USER MOD Single : A 101 SER OG : rot -31:sc= 0.231 USER MOD Single : A 102 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 TYR OH : rot -123:sc= 1.4 USER MOD Single : A 128 GLN : amide:sc= -0.851 K(o=-0.85,f=0) USER MOD Single : A 134 THR OG1 : rot -14:sc= 0.475 USER MOD Single : A 142 SER OG : rot 180:sc= 0.0965 USER MOD Single : A 143 MET CE :methyl -127:sc=-0.00669 (180deg=-1.18) USER MOD Single : A 147 TYR OH : rot 180:sc= -0.069 USER MOD Single : A 149 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 152 TYR OH : rot 180:sc= 0 USER MOD Single : A 153 ASN : amide:sc= -1.28! K(o=-1.3!,f=-0.19) USER MOD ----------------------------------------------------------------- ATOM 50 N ASP A 39 -10.750 -13.747 2.444 1.00 4.14 N ATOM 51 CA ASP A 39 -10.277 -12.984 1.288 1.00 3.11 C ATOM 52 C ASP A 39 -9.373 -11.827 1.740 1.00 71.44 C ATOM 53 O ASP A 39 -9.854 -10.839 2.299 1.00 53.41 O ATOM 54 CB ASP A 39 -11.465 -12.419 0.496 1.00 3.44 C ATOM 55 CG ASP A 39 -12.439 -13.494 0.053 1.00 0.32 C ATOM 56 OD1 ASP A 39 -13.350 -13.832 0.837 1.00 33.22 O ATOM 57 OD2 ASP A 39 -12.309 -13.992 -1.083 1.00 70.44 O ATOM 0 HA ASP A 39 -9.706 -13.658 0.650 1.00 3.11 H new ATOM 0 HB2 ASP A 39 -11.991 -11.689 1.111 1.00 3.44 H new ATOM 0 HB3 ASP A 39 -11.093 -11.889 -0.380 1.00 3.44 H new ATOM 62 N VAL A 40 -8.066 -11.961 1.506 1.00 44.42 N ATOM 63 CA VAL A 40 -7.100 -10.910 1.864 1.00 62.53 C ATOM 64 C VAL A 40 -7.548 -9.538 1.332 1.00 65.24 C ATOM 65 O VAL A 40 -7.527 -8.541 2.053 1.00 53.54 O ATOM 66 CB VAL A 40 -5.685 -11.238 1.319 1.00 42.21 C ATOM 67 CG1 VAL A 40 -4.682 -10.155 1.716 1.00 74.00 C ATOM 68 CG2 VAL A 40 -5.222 -12.611 1.805 1.00 52.13 C ATOM 0 H VAL A 40 -7.649 -12.784 1.071 1.00 44.42 H new ATOM 0 HA VAL A 40 -7.059 -10.871 2.953 1.00 62.53 H new ATOM 0 HB VAL A 40 -5.740 -11.263 0.231 1.00 42.21 H new ATOM 0 HG11 VAL A 40 -3.698 -10.408 1.322 1.00 74.00 H new ATOM 0 HG12 VAL A 40 -5.001 -9.196 1.307 1.00 74.00 H new ATOM 0 HG13 VAL A 40 -4.631 -10.087 2.803 1.00 74.00 H new ATOM 0 HG21 VAL A 40 -4.228 -12.820 1.411 1.00 52.13 H new ATOM 0 HG22 VAL A 40 -5.190 -12.619 2.894 1.00 52.13 H new ATOM 0 HG23 VAL A 40 -5.918 -13.374 1.457 1.00 52.13 H new ATOM 78 N LYS A 41 -7.978 -9.511 0.072 1.00 12.53 N ATOM 79 CA LYS A 41 -8.522 -8.296 -0.550 1.00 1.44 C ATOM 80 C LYS A 41 -9.660 -7.692 0.294 1.00 33.50 C ATOM 81 O LYS A 41 -9.655 -6.501 0.605 1.00 13.53 O ATOM 82 CB LYS A 41 -9.044 -8.624 -1.956 1.00 43.04 C ATOM 83 CG LYS A 41 -9.681 -7.437 -2.676 1.00 51.11 C ATOM 84 CD LYS A 41 -10.464 -7.883 -3.907 1.00 63.01 C ATOM 85 CE LYS A 41 -11.159 -6.717 -4.597 1.00 2.41 C ATOM 86 NZ LYS A 41 -12.120 -7.188 -5.628 1.00 4.13 N ATOM 0 H LYS A 41 -7.961 -10.322 -0.546 1.00 12.53 H new ATOM 0 HA LYS A 41 -7.719 -7.561 -0.613 1.00 1.44 H new ATOM 0 HB2 LYS A 41 -8.219 -9.001 -2.560 1.00 43.04 H new ATOM 0 HB3 LYS A 41 -9.778 -9.427 -1.882 1.00 43.04 H new ATOM 0 HG2 LYS A 41 -10.346 -6.910 -1.992 1.00 51.11 H new ATOM 0 HG3 LYS A 41 -8.905 -6.732 -2.973 1.00 51.11 H new ATOM 0 HD2 LYS A 41 -9.787 -8.369 -4.610 1.00 63.01 H new ATOM 0 HD3 LYS A 41 -11.207 -8.625 -3.615 1.00 63.01 H new ATOM 0 HE2 LYS A 41 -11.685 -6.116 -3.856 1.00 2.41 H new ATOM 0 HE3 LYS A 41 -10.414 -6.071 -5.061 1.00 2.41 H new ATOM 0 HZ1 LYS A 41 -12.575 -6.369 -6.078 1.00 4.13 H new ATOM 0 HZ2 LYS A 41 -11.613 -7.741 -6.348 1.00 4.13 H new ATOM 0 HZ3 LYS A 41 -12.845 -7.784 -5.180 1.00 4.13 H new ATOM 100 N SER A 42 -10.634 -8.529 0.662 1.00 61.54 N ATOM 101 CA SER A 42 -11.788 -8.084 1.462 1.00 44.42 C ATOM 102 C SER A 42 -11.349 -7.500 2.808 1.00 31.20 C ATOM 103 O SER A 42 -11.848 -6.456 3.239 1.00 60.23 O ATOM 104 CB SER A 42 -12.760 -9.250 1.706 1.00 52.31 C ATOM 105 OG SER A 42 -13.895 -8.831 2.453 1.00 64.20 O ATOM 0 H SER A 42 -10.650 -9.520 0.421 1.00 61.54 H new ATOM 0 HA SER A 42 -12.292 -7.303 0.893 1.00 44.42 H new ATOM 0 HB2 SER A 42 -13.083 -9.662 0.750 1.00 52.31 H new ATOM 0 HB3 SER A 42 -12.246 -10.049 2.240 1.00 52.31 H new ATOM 0 HG SER A 42 -14.495 -9.593 2.591 1.00 64.20 H new ATOM 111 N ARG A 43 -10.411 -8.176 3.469 1.00 74.12 N ATOM 112 CA ARG A 43 -9.875 -7.707 4.750 1.00 74.24 C ATOM 113 C ARG A 43 -9.287 -6.294 4.613 1.00 11.25 C ATOM 114 O ARG A 43 -9.680 -5.371 5.327 1.00 21.02 O ATOM 115 CB ARG A 43 -8.805 -8.686 5.262 1.00 44.05 C ATOM 116 CG ARG A 43 -9.311 -10.123 5.408 1.00 41.21 C ATOM 117 CD ARG A 43 -10.344 -10.263 6.523 1.00 64.42 C ATOM 118 NE ARG A 43 -11.098 -11.512 6.425 1.00 14.22 N ATOM 119 CZ ARG A 43 -11.524 -12.201 7.451 1.00 25.30 C ATOM 120 NH1 ARG A 43 -11.178 -11.883 8.659 1.00 2.55 N ATOM 121 NH2 ARG A 43 -12.277 -13.232 7.261 1.00 65.12 N ATOM 0 H ARG A 43 -10.005 -9.052 3.140 1.00 74.12 H new ATOM 0 HA ARG A 43 -10.691 -7.665 5.472 1.00 74.24 H new ATOM 0 HB2 ARG A 43 -7.957 -8.676 4.577 1.00 44.05 H new ATOM 0 HB3 ARG A 43 -8.439 -8.338 6.228 1.00 44.05 H new ATOM 0 HG2 ARG A 43 -9.751 -10.448 4.465 1.00 41.21 H new ATOM 0 HG3 ARG A 43 -8.468 -10.784 5.611 1.00 41.21 H new ATOM 0 HD2 ARG A 43 -9.841 -10.219 7.489 1.00 64.42 H new ATOM 0 HD3 ARG A 43 -11.034 -9.420 6.484 1.00 64.42 H new ATOM 0 HE ARG A 43 -11.306 -11.870 5.493 1.00 14.22 H new ATOM 0 HH11 ARG A 43 -10.564 -11.084 8.820 1.00 2.55 H new ATOM 0 HH12 ARG A 43 -11.519 -12.431 9.448 1.00 2.55 H new ATOM 0 HH21 ARG A 43 -12.537 -13.506 6.314 1.00 65.12 H new ATOM 0 HH22 ARG A 43 -12.612 -13.773 8.058 1.00 65.12 H new ATOM 135 N ILE A 44 -8.376 -6.125 3.660 1.00 41.05 N ATOM 136 CA ILE A 44 -7.753 -4.821 3.402 1.00 23.23 C ATOM 137 C ILE A 44 -8.804 -3.740 3.064 1.00 41.13 C ATOM 138 O ILE A 44 -8.696 -2.591 3.500 1.00 44.31 O ATOM 139 CB ILE A 44 -6.722 -4.927 2.248 1.00 53.24 C ATOM 140 CG1 ILE A 44 -5.667 -6.000 2.578 1.00 63.11 C ATOM 141 CG2 ILE A 44 -6.054 -3.576 1.987 1.00 61.45 C ATOM 142 CD1 ILE A 44 -4.726 -6.314 1.433 1.00 70.20 C ATOM 0 H ILE A 44 -8.049 -6.874 3.049 1.00 41.05 H new ATOM 0 HA ILE A 44 -7.242 -4.522 4.317 1.00 23.23 H new ATOM 0 HB ILE A 44 -7.249 -5.221 1.340 1.00 53.24 H new ATOM 0 HG12 ILE A 44 -5.081 -5.667 3.435 1.00 63.11 H new ATOM 0 HG13 ILE A 44 -6.177 -6.916 2.877 1.00 63.11 H new ATOM 0 HG21 ILE A 44 -5.335 -3.677 1.174 1.00 61.45 H new ATOM 0 HG22 ILE A 44 -6.812 -2.842 1.713 1.00 61.45 H new ATOM 0 HG23 ILE A 44 -5.538 -3.245 2.888 1.00 61.45 H new ATOM 0 HD11 ILE A 44 -4.014 -7.078 1.746 1.00 70.20 H new ATOM 0 HD12 ILE A 44 -5.299 -6.679 0.581 1.00 70.20 H new ATOM 0 HD13 ILE A 44 -4.186 -5.411 1.147 1.00 70.20 H new ATOM 154 N MET A 45 -9.827 -4.118 2.294 1.00 65.12 N ATOM 155 CA MET A 45 -10.921 -3.196 1.947 1.00 4.43 C ATOM 156 C MET A 45 -11.752 -2.803 3.180 1.00 53.22 C ATOM 157 O MET A 45 -12.331 -1.716 3.226 1.00 41.11 O ATOM 158 CB MET A 45 -11.825 -3.814 0.871 1.00 64.22 C ATOM 159 CG MET A 45 -11.159 -3.976 -0.494 1.00 71.42 C ATOM 160 SD MET A 45 -10.755 -2.397 -1.289 1.00 74.04 S ATOM 161 CE MET A 45 -9.120 -2.040 -0.637 1.00 15.32 C ATOM 0 H MET A 45 -9.924 -5.053 1.898 1.00 65.12 H new ATOM 0 HA MET A 45 -10.467 -2.287 1.551 1.00 4.43 H new ATOM 0 HB2 MET A 45 -12.163 -4.791 1.215 1.00 64.22 H new ATOM 0 HB3 MET A 45 -12.712 -3.191 0.757 1.00 64.22 H new ATOM 0 HG2 MET A 45 -10.246 -4.560 -0.378 1.00 71.42 H new ATOM 0 HG3 MET A 45 -11.820 -4.545 -1.148 1.00 71.42 H new ATOM 0 HE1 MET A 45 -8.547 -1.481 -1.377 1.00 15.32 H new ATOM 0 HE2 MET A 45 -9.213 -1.447 0.273 1.00 15.32 H new ATOM 0 HE3 MET A 45 -8.606 -2.974 -0.411 1.00 15.32 H new ATOM 171 N ASP A 46 -11.803 -3.691 4.173 1.00 72.23 N ATOM 172 CA ASP A 46 -12.457 -3.383 5.452 1.00 64.45 C ATOM 173 C ASP A 46 -11.719 -2.232 6.158 1.00 11.35 C ATOM 174 O ASP A 46 -12.335 -1.273 6.631 1.00 61.40 O ATOM 175 CB ASP A 46 -12.475 -4.633 6.342 1.00 63.24 C ATOM 176 CG ASP A 46 -13.153 -4.395 7.681 1.00 41.10 C ATOM 177 OD1 ASP A 46 -12.469 -3.962 8.636 1.00 21.14 O ATOM 178 OD2 ASP A 46 -14.366 -4.660 7.789 1.00 61.32 O ATOM 0 H ASP A 46 -11.402 -4.627 4.120 1.00 72.23 H new ATOM 0 HA ASP A 46 -13.484 -3.072 5.263 1.00 64.45 H new ATOM 0 HB2 ASP A 46 -12.989 -5.439 5.818 1.00 63.24 H new ATOM 0 HB3 ASP A 46 -11.451 -4.966 6.513 1.00 63.24 H new ATOM 183 N GLN A 47 -10.392 -2.336 6.200 1.00 24.31 N ATOM 184 CA GLN A 47 -9.542 -1.298 6.798 1.00 23.04 C ATOM 185 C GLN A 47 -9.665 0.016 6.008 1.00 5.12 C ATOM 186 O GLN A 47 -9.813 1.095 6.582 1.00 63.33 O ATOM 187 CB GLN A 47 -8.079 -1.776 6.824 1.00 33.12 C ATOM 188 CG GLN A 47 -7.153 -0.953 7.716 1.00 23.10 C ATOM 189 CD GLN A 47 -7.528 -1.022 9.189 1.00 24.14 C ATOM 190 OE1 GLN A 47 -8.129 -1.987 9.651 1.00 63.43 O ATOM 191 NE2 GLN A 47 -7.136 -0.019 9.947 1.00 5.43 N ATOM 0 H GLN A 47 -9.876 -3.132 5.826 1.00 24.31 H new ATOM 0 HA GLN A 47 -9.872 -1.114 7.820 1.00 23.04 H new ATOM 0 HB2 GLN A 47 -8.056 -2.813 7.159 1.00 33.12 H new ATOM 0 HB3 GLN A 47 -7.688 -1.761 5.807 1.00 33.12 H new ATOM 0 HG2 GLN A 47 -6.129 -1.306 7.591 1.00 23.10 H new ATOM 0 HG3 GLN A 47 -7.174 0.087 7.390 1.00 23.10 H new ATOM 0 HE21 GLN A 47 -6.638 0.769 9.533 1.00 5.43 H new ATOM 0 HE22 GLN A 47 -7.330 -0.030 10.948 1.00 5.43 H new ATOM 200 N TYR A 48 -9.618 -0.094 4.678 1.00 14.32 N ATOM 201 CA TYR A 48 -9.811 1.062 3.789 1.00 2.02 C ATOM 202 C TYR A 48 -11.152 1.759 4.062 1.00 54.44 C ATOM 203 O TYR A 48 -11.224 2.984 4.093 1.00 51.51 O ATOM 204 CB TYR A 48 -9.736 0.624 2.317 1.00 12.23 C ATOM 205 CG TYR A 48 -10.114 1.717 1.325 1.00 12.40 C ATOM 206 CD1 TYR A 48 -9.397 2.907 1.259 1.00 11.40 C ATOM 207 CD2 TYR A 48 -11.194 1.556 0.459 1.00 42.11 C ATOM 208 CE1 TYR A 48 -9.743 3.903 0.364 1.00 64.03 C ATOM 209 CE2 TYR A 48 -11.544 2.549 -0.438 1.00 20.15 C ATOM 210 CZ TYR A 48 -10.815 3.721 -0.483 1.00 15.31 C ATOM 211 OH TYR A 48 -11.161 4.716 -1.374 1.00 64.40 O ATOM 0 H TYR A 48 -9.448 -0.973 4.189 1.00 14.32 H new ATOM 0 HA TYR A 48 -9.011 1.774 3.991 1.00 2.02 H new ATOM 0 HB2 TYR A 48 -8.723 0.286 2.100 1.00 12.23 H new ATOM 0 HB3 TYR A 48 -10.396 -0.231 2.169 1.00 12.23 H new ATOM 0 HD1 TYR A 48 -8.555 3.056 1.919 1.00 11.40 H new ATOM 0 HD2 TYR A 48 -11.767 0.641 0.489 1.00 42.11 H new ATOM 0 HE1 TYR A 48 -9.175 4.821 0.329 1.00 64.03 H new ATOM 0 HE2 TYR A 48 -12.385 2.408 -1.101 1.00 20.15 H new ATOM 0 HH TYR A 48 -11.938 4.430 -1.899 1.00 64.40 H new ATOM 221 N ALA A 49 -12.206 0.968 4.266 1.00 23.04 N ATOM 222 CA ALA A 49 -13.540 1.507 4.563 1.00 74.23 C ATOM 223 C ALA A 49 -13.522 2.410 5.808 1.00 73.24 C ATOM 224 O ALA A 49 -14.261 3.392 5.891 1.00 1.12 O ATOM 225 CB ALA A 49 -14.536 0.369 4.748 1.00 24.01 C ATOM 0 H ALA A 49 -12.165 -0.051 4.232 1.00 23.04 H new ATOM 0 HA ALA A 49 -13.849 2.119 3.716 1.00 74.23 H new ATOM 0 HB1 ALA A 49 -15.521 0.780 4.968 1.00 24.01 H new ATOM 0 HB2 ALA A 49 -14.585 -0.223 3.834 1.00 24.01 H new ATOM 0 HB3 ALA A 49 -14.215 -0.265 5.574 1.00 24.01 H new ATOM 231 N ASP A 50 -12.661 2.073 6.762 1.00 71.32 N ATOM 232 CA ASP A 50 -12.505 2.854 7.993 1.00 24.41 C ATOM 233 C ASP A 50 -11.580 4.071 7.769 1.00 45.43 C ATOM 234 O ASP A 50 -11.679 5.086 8.464 1.00 40.45 O ATOM 235 CB ASP A 50 -11.935 1.945 9.091 1.00 20.45 C ATOM 236 CG ASP A 50 -11.945 2.586 10.468 1.00 51.10 C ATOM 237 OD1 ASP A 50 -12.948 3.237 10.825 1.00 50.52 O ATOM 238 OD2 ASP A 50 -10.961 2.418 11.218 1.00 22.30 O ATOM 0 H ASP A 50 -12.053 1.256 6.709 1.00 71.32 H new ATOM 0 HA ASP A 50 -13.480 3.235 8.297 1.00 24.41 H new ATOM 0 HB2 ASP A 50 -12.512 1.021 9.124 1.00 20.45 H new ATOM 0 HB3 ASP A 50 -10.912 1.672 8.832 1.00 20.45 H new ATOM 243 N TRP A 51 -10.684 3.956 6.788 1.00 63.12 N ATOM 244 CA TRP A 51 -9.696 5.007 6.483 1.00 42.13 C ATOM 245 C TRP A 51 -10.002 5.752 5.167 1.00 42.13 C ATOM 246 O TRP A 51 -9.116 6.387 4.589 1.00 50.32 O ATOM 247 CB TRP A 51 -8.298 4.383 6.394 1.00 12.05 C ATOM 248 CG TRP A 51 -7.722 3.962 7.718 1.00 31.34 C ATOM 249 CD1 TRP A 51 -8.120 2.915 8.502 1.00 32.31 C ATOM 250 CD2 TRP A 51 -6.625 4.578 8.402 1.00 61.35 C ATOM 251 NE1 TRP A 51 -7.337 2.849 9.632 1.00 2.25 N ATOM 252 CE2 TRP A 51 -6.413 3.858 9.591 1.00 53.02 C ATOM 253 CE3 TRP A 51 -5.803 5.672 8.120 1.00 3.20 C ATOM 254 CZ2 TRP A 51 -5.412 4.196 10.496 1.00 62.22 C ATOM 255 CZ3 TRP A 51 -4.810 6.007 9.018 1.00 45.30 C ATOM 256 CH2 TRP A 51 -4.621 5.271 10.192 1.00 32.21 C ATOM 0 H TRP A 51 -10.618 3.138 6.182 1.00 63.12 H new ATOM 0 HA TRP A 51 -9.746 5.737 7.291 1.00 42.13 H new ATOM 0 HB2 TRP A 51 -8.342 3.514 5.738 1.00 12.05 H new ATOM 0 HB3 TRP A 51 -7.622 5.100 5.929 1.00 12.05 H new ATOM 0 HD1 TRP A 51 -8.930 2.239 8.269 1.00 32.31 H new ATOM 0 HE1 TRP A 51 -7.430 2.160 10.379 1.00 2.25 H new ATOM 0 HE3 TRP A 51 -5.942 6.245 7.215 1.00 3.20 H new ATOM 0 HZ2 TRP A 51 -5.264 3.631 11.405 1.00 62.22 H new ATOM 0 HZ3 TRP A 51 -4.169 6.851 8.811 1.00 45.30 H new ATOM 0 HH2 TRP A 51 -3.834 5.557 10.874 1.00 32.21 H new ATOM 267 N LYS A 52 -11.250 5.697 4.702 1.00 40.43 N ATOM 268 CA LYS A 52 -11.624 6.325 3.420 1.00 70.01 C ATOM 269 C LYS A 52 -11.359 7.844 3.396 1.00 31.14 C ATOM 270 O LYS A 52 -12.126 8.640 3.948 1.00 71.25 O ATOM 271 CB LYS A 52 -13.097 6.043 3.077 1.00 51.32 C ATOM 272 CG LYS A 52 -13.358 4.602 2.651 1.00 54.40 C ATOM 273 CD LYS A 52 -14.799 4.371 2.201 1.00 31.44 C ATOM 274 CE LYS A 52 -15.801 4.570 3.331 1.00 35.14 C ATOM 275 NZ LYS A 52 -17.189 4.246 2.902 1.00 43.20 N ATOM 0 H LYS A 52 -12.018 5.230 5.184 1.00 40.43 H new ATOM 0 HA LYS A 52 -10.984 5.873 2.662 1.00 70.01 H new ATOM 0 HB2 LYS A 52 -13.714 6.274 3.945 1.00 51.32 H new ATOM 0 HB3 LYS A 52 -13.410 6.713 2.276 1.00 51.32 H new ATOM 0 HG2 LYS A 52 -12.681 4.340 1.838 1.00 54.40 H new ATOM 0 HG3 LYS A 52 -13.130 3.935 3.482 1.00 54.40 H new ATOM 0 HD2 LYS A 52 -15.036 5.054 1.385 1.00 31.44 H new ATOM 0 HD3 LYS A 52 -14.896 3.359 1.808 1.00 31.44 H new ATOM 0 HE2 LYS A 52 -15.525 3.940 4.176 1.00 35.14 H new ATOM 0 HE3 LYS A 52 -15.759 5.603 3.676 1.00 35.14 H new ATOM 0 HZ1 LYS A 52 -17.842 4.394 3.698 1.00 43.20 H new ATOM 0 HZ2 LYS A 52 -17.461 4.865 2.112 1.00 43.20 H new ATOM 0 HZ3 LYS A 52 -17.235 3.253 2.596 1.00 43.20 H new ATOM 289 N GLY A 53 -10.260 8.228 2.750 1.00 74.22 N ATOM 290 CA GLY A 53 -9.950 9.638 2.542 1.00 31.04 C ATOM 291 C GLY A 53 -9.321 10.336 3.745 1.00 61.02 C ATOM 292 O GLY A 53 -9.645 11.491 4.027 1.00 53.30 O ATOM 0 H GLY A 53 -9.571 7.583 2.363 1.00 74.22 H new ATOM 0 HA2 GLY A 53 -9.272 9.726 1.693 1.00 31.04 H new ATOM 0 HA3 GLY A 53 -10.867 10.162 2.273 1.00 31.04 H new ATOM 296 N VAL A 54 -8.435 9.649 4.461 1.00 23.44 N ATOM 297 CA VAL A 54 -7.673 10.282 5.549 1.00 74.24 C ATOM 298 C VAL A 54 -6.623 11.265 4.992 1.00 31.24 C ATOM 299 O VAL A 54 -6.043 11.029 3.930 1.00 52.41 O ATOM 300 CB VAL A 54 -6.973 9.225 6.448 1.00 14.23 C ATOM 301 CG1 VAL A 54 -6.112 9.893 7.523 1.00 62.33 C ATOM 302 CG2 VAL A 54 -8.001 8.294 7.087 1.00 11.42 C ATOM 0 H VAL A 54 -8.224 8.662 4.314 1.00 23.44 H new ATOM 0 HA VAL A 54 -8.389 10.834 6.158 1.00 74.24 H new ATOM 0 HB VAL A 54 -6.316 8.631 5.813 1.00 14.23 H new ATOM 0 HG11 VAL A 54 -5.636 9.127 8.135 1.00 62.33 H new ATOM 0 HG12 VAL A 54 -5.346 10.505 7.047 1.00 62.33 H new ATOM 0 HG13 VAL A 54 -6.740 10.523 8.153 1.00 62.33 H new ATOM 0 HG21 VAL A 54 -7.490 7.562 7.712 1.00 11.42 H new ATOM 0 HG22 VAL A 54 -8.689 8.877 7.699 1.00 11.42 H new ATOM 0 HG23 VAL A 54 -8.559 7.778 6.306 1.00 11.42 H new ATOM 312 N ARG A 55 -6.403 12.373 5.709 1.00 71.23 N ATOM 313 CA ARG A 55 -5.416 13.393 5.310 1.00 20.43 C ATOM 314 C ARG A 55 -4.010 12.791 5.142 1.00 55.14 C ATOM 315 O ARG A 55 -3.610 11.916 5.908 1.00 73.55 O ATOM 316 CB ARG A 55 -5.335 14.499 6.377 1.00 53.02 C ATOM 317 CG ARG A 55 -6.677 15.109 6.773 1.00 65.44 C ATOM 318 CD ARG A 55 -7.333 15.871 5.627 1.00 23.41 C ATOM 319 NE ARG A 55 -8.548 16.557 6.066 1.00 41.44 N ATOM 320 CZ ARG A 55 -9.100 17.557 5.433 1.00 40.21 C ATOM 321 NH1 ARG A 55 -8.595 18.005 4.328 1.00 14.04 N ATOM 322 NH2 ARG A 55 -10.161 18.116 5.913 1.00 54.44 N ATOM 0 H ARG A 55 -6.897 12.590 6.575 1.00 71.23 H new ATOM 0 HA ARG A 55 -5.748 13.800 4.355 1.00 20.43 H new ATOM 0 HB2 ARG A 55 -4.861 14.089 7.269 1.00 53.02 H new ATOM 0 HB3 ARG A 55 -4.686 15.293 6.008 1.00 53.02 H new ATOM 0 HG2 ARG A 55 -7.347 14.318 7.109 1.00 65.44 H new ATOM 0 HG3 ARG A 55 -6.531 15.783 7.617 1.00 65.44 H new ATOM 0 HD2 ARG A 55 -6.629 16.598 5.222 1.00 23.41 H new ATOM 0 HD3 ARG A 55 -7.576 15.179 4.820 1.00 23.41 H new ATOM 0 HE ARG A 55 -8.994 16.233 6.924 1.00 41.44 H new ATOM 0 HH11 ARG A 55 -7.755 17.576 3.940 1.00 14.04 H new ATOM 0 HH12 ARG A 55 -9.038 18.787 3.845 1.00 14.04 H new ATOM 0 HH21 ARG A 55 -10.566 17.776 6.785 1.00 54.44 H new ATOM 0 HH22 ARG A 55 -10.593 18.897 5.420 1.00 54.44 H new ATOM 336 N TYR A 56 -3.258 13.269 4.151 1.00 24.34 N ATOM 337 CA TYR A 56 -1.852 12.875 4.007 1.00 43.33 C ATOM 338 C TYR A 56 -0.969 13.744 4.916 1.00 23.32 C ATOM 339 O TYR A 56 -0.889 14.961 4.741 1.00 4.42 O ATOM 340 CB TYR A 56 -1.376 12.999 2.549 1.00 61.12 C ATOM 341 CG TYR A 56 0.002 12.386 2.294 1.00 14.40 C ATOM 342 CD1 TYR A 56 1.170 13.022 2.713 1.00 14.51 C ATOM 343 CD2 TYR A 56 0.130 11.162 1.642 1.00 13.11 C ATOM 344 CE1 TYR A 56 2.414 12.457 2.492 1.00 54.41 C ATOM 345 CE2 TYR A 56 1.368 10.596 1.417 1.00 52.31 C ATOM 346 CZ TYR A 56 2.505 11.243 1.846 1.00 41.23 C ATOM 347 OH TYR A 56 3.739 10.675 1.627 1.00 43.53 O ATOM 0 H TYR A 56 -3.591 13.922 3.442 1.00 24.34 H new ATOM 0 HA TYR A 56 -1.767 11.829 4.302 1.00 43.33 H new ATOM 0 HB2 TYR A 56 -2.104 12.516 1.897 1.00 61.12 H new ATOM 0 HB3 TYR A 56 -1.351 14.053 2.274 1.00 61.12 H new ATOM 0 HD1 TYR A 56 1.103 13.973 3.220 1.00 14.51 H new ATOM 0 HD2 TYR A 56 -0.757 10.646 1.306 1.00 13.11 H new ATOM 0 HE1 TYR A 56 3.308 12.964 2.824 1.00 54.41 H new ATOM 0 HE2 TYR A 56 1.445 9.648 0.906 1.00 52.31 H new ATOM 0 HH TYR A 56 3.628 9.820 1.161 1.00 43.53 H new ATOM 357 N ARG A 57 -0.312 13.117 5.884 1.00 22.34 N ATOM 358 CA ARG A 57 0.594 13.825 6.794 1.00 13.01 C ATOM 359 C ARG A 57 2.000 13.219 6.730 1.00 21.54 C ATOM 360 O ARG A 57 2.244 12.130 7.251 1.00 61.12 O ATOM 361 CB ARG A 57 0.054 13.775 8.229 1.00 53.12 C ATOM 362 CG ARG A 57 0.961 14.440 9.264 1.00 13.44 C ATOM 363 CD ARG A 57 0.359 14.384 10.665 1.00 23.20 C ATOM 364 NE ARG A 57 1.288 14.880 11.680 1.00 12.50 N ATOM 365 CZ ARG A 57 0.939 15.255 12.879 1.00 41.12 C ATOM 366 NH1 ARG A 57 -0.310 15.299 13.228 1.00 41.31 N ATOM 367 NH2 ARG A 57 1.852 15.611 13.722 1.00 3.04 N ATOM 0 H ARG A 57 -0.387 12.116 6.063 1.00 22.34 H new ATOM 0 HA ARG A 57 0.654 14.868 6.481 1.00 13.01 H new ATOM 0 HB2 ARG A 57 -0.923 14.258 8.255 1.00 53.12 H new ATOM 0 HB3 ARG A 57 -0.098 12.733 8.512 1.00 53.12 H new ATOM 0 HG2 ARG A 57 1.933 13.946 9.266 1.00 13.44 H new ATOM 0 HG3 ARG A 57 1.132 15.479 8.983 1.00 13.44 H new ATOM 0 HD2 ARG A 57 -0.556 14.976 10.691 1.00 23.20 H new ATOM 0 HD3 ARG A 57 0.081 13.357 10.899 1.00 23.20 H new ATOM 0 HE ARG A 57 2.276 14.936 11.433 1.00 12.50 H new ATOM 0 HH11 ARG A 57 -1.036 15.038 12.560 1.00 41.31 H new ATOM 0 HH12 ARG A 57 -0.566 15.595 14.170 1.00 41.31 H new ATOM 0 HH21 ARG A 57 2.834 15.597 13.447 1.00 3.04 H new ATOM 0 HH22 ARG A 57 1.590 15.906 14.663 1.00 3.04 H new ATOM 381 N LEU A 58 2.921 13.926 6.087 1.00 50.12 N ATOM 382 CA LEU A 58 4.288 13.431 5.912 1.00 21.31 C ATOM 383 C LEU A 58 5.051 13.469 7.251 1.00 23.40 C ATOM 384 O LEU A 58 5.264 14.537 7.829 1.00 10.44 O ATOM 385 CB LEU A 58 5.008 14.263 4.831 1.00 51.13 C ATOM 386 CG LEU A 58 6.267 13.627 4.200 1.00 43.35 C ATOM 387 CD1 LEU A 58 7.432 13.588 5.183 1.00 32.23 C ATOM 388 CD2 LEU A 58 5.959 12.226 3.678 1.00 33.44 C ATOM 0 H LEU A 58 2.750 14.844 5.677 1.00 50.12 H new ATOM 0 HA LEU A 58 4.256 12.393 5.581 1.00 21.31 H new ATOM 0 HB2 LEU A 58 4.296 14.476 4.033 1.00 51.13 H new ATOM 0 HB3 LEU A 58 5.292 15.220 5.269 1.00 51.13 H new ATOM 0 HG LEU A 58 6.565 14.255 3.360 1.00 43.35 H new ATOM 0 HD11 LEU A 58 8.299 13.134 4.702 1.00 32.23 H new ATOM 0 HD12 LEU A 58 7.680 14.603 5.494 1.00 32.23 H new ATOM 0 HD13 LEU A 58 7.152 12.999 6.056 1.00 32.23 H new ATOM 0 HD21 LEU A 58 6.859 11.796 3.238 1.00 33.44 H new ATOM 0 HD22 LEU A 58 5.622 11.597 4.502 1.00 33.44 H new ATOM 0 HD23 LEU A 58 5.177 12.284 2.921 1.00 33.44 H new ATOM 400 N GLY A 59 5.453 12.296 7.741 1.00 43.44 N ATOM 401 CA GLY A 59 6.172 12.218 9.013 1.00 34.51 C ATOM 402 C GLY A 59 5.242 12.159 10.223 1.00 72.15 C ATOM 403 O GLY A 59 5.616 12.567 11.328 1.00 10.21 O ATOM 0 H GLY A 59 5.296 11.398 7.284 1.00 43.44 H new ATOM 0 HA2 GLY A 59 6.810 11.335 9.009 1.00 34.51 H new ATOM 0 HA3 GLY A 59 6.827 13.084 9.107 1.00 34.51 H new ATOM 407 N GLY A 60 4.027 11.654 10.019 1.00 64.10 N ATOM 408 CA GLY A 60 3.066 11.524 11.110 1.00 61.32 C ATOM 409 C GLY A 60 1.941 10.552 10.780 1.00 4.44 C ATOM 410 O GLY A 60 1.060 10.864 9.983 1.00 22.24 O ATOM 0 H GLY A 60 3.687 11.330 9.114 1.00 64.10 H new ATOM 0 HA2 GLY A 60 3.583 11.186 12.008 1.00 61.32 H new ATOM 0 HA3 GLY A 60 2.642 12.503 11.336 1.00 61.32 H new ATOM 414 N SER A 61 1.971 9.371 11.394 1.00 5.35 N ATOM 415 CA SER A 61 0.995 8.312 11.097 1.00 52.21 C ATOM 416 C SER A 61 -0.166 8.282 12.106 1.00 62.31 C ATOM 417 O SER A 61 0.025 7.963 13.283 1.00 50.10 O ATOM 418 CB SER A 61 1.694 6.942 11.069 1.00 41.20 C ATOM 419 OG SER A 61 2.366 6.674 12.293 1.00 64.53 O ATOM 0 H SER A 61 2.660 9.118 12.102 1.00 5.35 H new ATOM 0 HA SER A 61 0.571 8.534 10.118 1.00 52.21 H new ATOM 0 HB2 SER A 61 0.958 6.161 10.878 1.00 41.20 H new ATOM 0 HB3 SER A 61 2.409 6.914 10.247 1.00 41.20 H new ATOM 0 HG SER A 61 1.828 7.007 13.041 1.00 64.53 H new ATOM 425 N THR A 62 -1.372 8.622 11.639 1.00 72.14 N ATOM 426 CA THR A 62 -2.595 8.545 12.466 1.00 33.43 C ATOM 427 C THR A 62 -3.861 8.796 11.631 1.00 72.13 C ATOM 428 O THR A 62 -3.783 9.150 10.458 1.00 23.53 O ATOM 429 CB THR A 62 -2.566 9.559 13.640 1.00 70.52 C ATOM 430 OG1 THR A 62 -3.791 9.493 14.394 1.00 74.52 O ATOM 431 CG2 THR A 62 -2.354 10.987 13.137 1.00 60.14 C ATOM 0 H THR A 62 -1.534 8.956 10.689 1.00 72.14 H new ATOM 0 HA THR A 62 -2.621 7.533 12.869 1.00 33.43 H new ATOM 0 HB THR A 62 -1.729 9.290 14.284 1.00 70.52 H new ATOM 0 HG1 THR A 62 -3.696 10.015 15.218 1.00 74.52 H new ATOM 0 HG21 THR A 62 -2.339 11.673 13.984 1.00 60.14 H new ATOM 0 HG22 THR A 62 -1.405 11.048 12.604 1.00 60.14 H new ATOM 0 HG23 THR A 62 -3.167 11.260 12.464 1.00 60.14 H new ATOM 439 N LYS A 63 -5.034 8.609 12.237 1.00 11.42 N ATOM 440 CA LYS A 63 -6.304 8.907 11.556 1.00 75.34 C ATOM 441 C LYS A 63 -6.532 10.423 11.426 1.00 11.11 C ATOM 442 O LYS A 63 -7.382 10.871 10.659 1.00 72.44 O ATOM 443 CB LYS A 63 -7.487 8.251 12.282 1.00 3.21 C ATOM 444 CG LYS A 63 -7.519 6.731 12.146 1.00 42.03 C ATOM 445 CD LYS A 63 -8.765 6.129 12.791 1.00 41.51 C ATOM 446 CE LYS A 63 -8.878 4.637 12.505 1.00 5.35 C ATOM 447 NZ LYS A 63 -10.087 4.041 13.134 1.00 11.23 N ATOM 0 H LYS A 63 -5.136 8.256 13.189 1.00 11.42 H new ATOM 0 HA LYS A 63 -6.238 8.488 10.552 1.00 75.34 H new ATOM 0 HB2 LYS A 63 -7.444 8.512 13.339 1.00 3.21 H new ATOM 0 HB3 LYS A 63 -8.417 8.662 11.890 1.00 3.21 H new ATOM 0 HG2 LYS A 63 -7.489 6.460 11.091 1.00 42.03 H new ATOM 0 HG3 LYS A 63 -6.629 6.306 12.609 1.00 42.03 H new ATOM 0 HD2 LYS A 63 -8.733 6.292 13.868 1.00 41.51 H new ATOM 0 HD3 LYS A 63 -9.652 6.640 12.417 1.00 41.51 H new ATOM 0 HE2 LYS A 63 -8.913 4.476 11.428 1.00 5.35 H new ATOM 0 HE3 LYS A 63 -7.988 4.128 12.875 1.00 5.35 H new ATOM 0 HZ1 LYS A 63 -9.799 3.319 13.824 1.00 11.23 H new ATOM 0 HZ2 LYS A 63 -10.629 4.785 13.617 1.00 11.23 H new ATOM 0 HZ3 LYS A 63 -10.679 3.602 12.400 1.00 11.23 H new ATOM 461 N LYS A 64 -5.762 11.206 12.184 1.00 74.44 N ATOM 462 CA LYS A 64 -5.757 12.670 12.044 1.00 64.11 C ATOM 463 C LYS A 64 -4.823 13.102 10.896 1.00 74.11 C ATOM 464 O LYS A 64 -4.606 14.292 10.667 1.00 52.30 O ATOM 465 CB LYS A 64 -5.307 13.352 13.354 1.00 43.22 C ATOM 466 CG LYS A 64 -6.286 13.223 14.526 1.00 1.10 C ATOM 467 CD LYS A 64 -6.328 11.811 15.112 1.00 2.23 C ATOM 468 CE LYS A 64 -7.190 11.752 16.371 1.00 40.11 C ATOM 469 NZ LYS A 64 -7.249 10.380 16.946 1.00 63.42 N ATOM 0 H LYS A 64 -5.131 10.853 12.904 1.00 74.44 H new ATOM 0 HA LYS A 64 -6.776 12.982 11.817 1.00 64.11 H new ATOM 0 HB2 LYS A 64 -4.348 12.929 13.654 1.00 43.22 H new ATOM 0 HB3 LYS A 64 -5.141 14.411 13.155 1.00 43.22 H new ATOM 0 HG2 LYS A 64 -6.004 13.928 15.308 1.00 1.10 H new ATOM 0 HG3 LYS A 64 -7.285 13.502 14.191 1.00 1.10 H new ATOM 0 HD2 LYS A 64 -6.722 11.119 14.368 1.00 2.23 H new ATOM 0 HD3 LYS A 64 -5.315 11.484 15.348 1.00 2.23 H new ATOM 0 HE2 LYS A 64 -6.790 12.440 17.116 1.00 40.11 H new ATOM 0 HE3 LYS A 64 -8.199 12.089 16.135 1.00 40.11 H new ATOM 0 HZ1 LYS A 64 -7.844 10.386 17.799 1.00 63.42 H new ATOM 0 HZ2 LYS A 64 -7.655 9.727 16.245 1.00 63.42 H new ATOM 0 HZ3 LYS A 64 -6.289 10.067 17.196 1.00 63.42 H new ATOM 483 N GLY A 65 -4.272 12.120 10.185 1.00 42.12 N ATOM 484 CA GLY A 65 -3.319 12.386 9.113 1.00 53.32 C ATOM 485 C GLY A 65 -2.228 11.324 9.056 1.00 75.12 C ATOM 486 O GLY A 65 -1.652 10.973 10.086 1.00 20.44 O ATOM 0 H GLY A 65 -4.471 11.131 10.334 1.00 42.12 H new ATOM 0 HA2 GLY A 65 -3.844 12.420 8.159 1.00 53.32 H new ATOM 0 HA3 GLY A 65 -2.866 13.366 9.263 1.00 53.32 H new ATOM 490 N ILE A 66 -1.942 10.804 7.866 1.00 55.41 N ATOM 491 CA ILE A 66 -0.983 9.704 7.721 1.00 10.41 C ATOM 492 C ILE A 66 -0.283 9.729 6.350 1.00 22.44 C ATOM 493 O ILE A 66 -0.824 10.253 5.375 1.00 21.43 O ATOM 494 CB ILE A 66 -1.703 8.347 7.927 1.00 2.41 C ATOM 495 CG1 ILE A 66 -0.697 7.192 8.043 1.00 63.30 C ATOM 496 CG2 ILE A 66 -2.699 8.083 6.796 1.00 61.14 C ATOM 497 CD1 ILE A 66 -1.317 5.904 8.541 1.00 51.44 C ATOM 0 H ILE A 66 -2.356 11.122 6.990 1.00 55.41 H new ATOM 0 HA ILE A 66 -0.215 9.830 8.484 1.00 10.41 H new ATOM 0 HB ILE A 66 -2.255 8.405 8.865 1.00 2.41 H new ATOM 0 HG12 ILE A 66 -0.244 7.015 7.068 1.00 63.30 H new ATOM 0 HG13 ILE A 66 0.106 7.486 8.719 1.00 63.30 H new ATOM 0 HG21 ILE A 66 -3.192 7.125 6.962 1.00 61.14 H new ATOM 0 HG22 ILE A 66 -3.446 8.877 6.776 1.00 61.14 H new ATOM 0 HG23 ILE A 66 -2.170 8.058 5.843 1.00 61.14 H new ATOM 0 HD11 ILE A 66 -0.551 5.130 8.599 1.00 51.44 H new ATOM 0 HD12 ILE A 66 -1.746 6.065 9.530 1.00 51.44 H new ATOM 0 HD13 ILE A 66 -2.101 5.588 7.853 1.00 51.44 H new ATOM 509 N ASP A 67 0.931 9.187 6.285 1.00 13.22 N ATOM 510 CA ASP A 67 1.696 9.146 5.035 1.00 63.11 C ATOM 511 C ASP A 67 1.450 7.839 4.249 1.00 41.22 C ATOM 512 O ASP A 67 0.739 6.938 4.707 1.00 42.31 O ATOM 513 CB ASP A 67 3.187 9.306 5.342 1.00 72.20 C ATOM 514 CG ASP A 67 3.714 8.180 6.211 1.00 42.51 C ATOM 515 OD1 ASP A 67 3.467 8.203 7.434 1.00 52.12 O ATOM 516 OD2 ASP A 67 4.352 7.256 5.664 1.00 61.10 O ATOM 0 H ASP A 67 1.409 8.769 7.083 1.00 13.22 H new ATOM 0 HA ASP A 67 1.358 9.970 4.407 1.00 63.11 H new ATOM 0 HB2 ASP A 67 3.748 9.336 4.408 1.00 72.20 H new ATOM 0 HB3 ASP A 67 3.353 10.259 5.844 1.00 72.20 H new ATOM 521 N CYS A 68 2.063 7.741 3.069 1.00 62.33 N ATOM 522 CA CYS A 68 1.871 6.586 2.176 1.00 22.12 C ATOM 523 C CYS A 68 2.342 5.267 2.809 1.00 71.43 C ATOM 524 O CYS A 68 1.619 4.266 2.787 1.00 61.34 O ATOM 525 CB CYS A 68 2.601 6.809 0.847 1.00 4.31 C ATOM 526 SG CYS A 68 2.594 5.371 -0.248 1.00 35.35 S ATOM 0 H CYS A 68 2.701 8.448 2.704 1.00 62.33 H new ATOM 0 HA CYS A 68 0.799 6.502 1.999 1.00 22.12 H new ATOM 0 HB2 CYS A 68 2.140 7.650 0.328 1.00 4.31 H new ATOM 0 HB3 CYS A 68 3.634 7.089 1.054 1.00 4.31 H new ATOM 0 HG CYS A 68 1.781 4.472 0.222 1.00 35.35 H new ATOM 532 N SER A 69 3.548 5.261 3.374 1.00 11.03 N ATOM 533 CA SER A 69 4.107 4.040 3.975 1.00 53.42 C ATOM 534 C SER A 69 3.507 3.762 5.360 1.00 23.14 C ATOM 535 O SER A 69 3.421 2.608 5.795 1.00 11.52 O ATOM 536 CB SER A 69 5.640 4.122 4.056 1.00 21.13 C ATOM 537 OG SER A 69 6.091 5.339 4.638 1.00 4.03 O ATOM 0 H SER A 69 4.156 6.078 3.431 1.00 11.03 H new ATOM 0 HA SER A 69 3.838 3.206 3.326 1.00 53.42 H new ATOM 0 HB2 SER A 69 6.015 3.282 4.641 1.00 21.13 H new ATOM 0 HB3 SER A 69 6.059 4.025 3.055 1.00 21.13 H new ATOM 0 HG SER A 69 5.326 5.830 5.003 1.00 4.03 H new ATOM 543 N GLY A 70 3.081 4.819 6.041 1.00 60.54 N ATOM 544 CA GLY A 70 2.423 4.668 7.327 1.00 71.30 C ATOM 545 C GLY A 70 1.104 3.908 7.226 1.00 74.00 C ATOM 546 O GLY A 70 0.803 3.053 8.064 1.00 54.01 O ATOM 0 H GLY A 70 3.180 5.783 5.724 1.00 60.54 H new ATOM 0 HA2 GLY A 70 3.089 4.143 8.012 1.00 71.30 H new ATOM 0 HA3 GLY A 70 2.238 5.654 7.754 1.00 71.30 H new ATOM 550 N PHE A 71 0.317 4.220 6.192 1.00 54.44 N ATOM 551 CA PHE A 71 -0.977 3.561 5.971 1.00 53.22 C ATOM 552 C PHE A 71 -0.824 2.045 5.786 1.00 74.42 C ATOM 553 O PHE A 71 -1.516 1.260 6.440 1.00 43.43 O ATOM 554 CB PHE A 71 -1.688 4.164 4.750 1.00 35.31 C ATOM 555 CG PHE A 71 -2.964 3.440 4.381 1.00 41.33 C ATOM 556 CD1 PHE A 71 -4.078 3.501 5.209 1.00 21.33 C ATOM 557 CD2 PHE A 71 -3.046 2.692 3.212 1.00 73.40 C ATOM 558 CE1 PHE A 71 -5.241 2.831 4.880 1.00 15.32 C ATOM 559 CE2 PHE A 71 -4.208 2.023 2.879 1.00 40.02 C ATOM 560 CZ PHE A 71 -5.306 2.091 3.713 1.00 4.11 C ATOM 0 H PHE A 71 0.552 4.925 5.493 1.00 54.44 H new ATOM 0 HA PHE A 71 -1.581 3.732 6.862 1.00 53.22 H new ATOM 0 HB2 PHE A 71 -1.918 5.210 4.952 1.00 35.31 H new ATOM 0 HB3 PHE A 71 -1.009 4.146 3.898 1.00 35.31 H new ATOM 0 HD1 PHE A 71 -4.035 4.079 6.120 1.00 21.33 H new ATOM 0 HD2 PHE A 71 -2.190 2.633 2.556 1.00 73.40 H new ATOM 0 HE1 PHE A 71 -6.099 2.885 5.534 1.00 15.32 H new ATOM 0 HE2 PHE A 71 -4.257 1.447 1.967 1.00 40.02 H new ATOM 0 HZ PHE A 71 -6.214 1.567 3.455 1.00 4.11 H new ATOM 570 N VAL A 72 0.075 1.636 4.893 1.00 54.04 N ATOM 571 CA VAL A 72 0.266 0.213 4.603 1.00 71.14 C ATOM 572 C VAL A 72 0.682 -0.586 5.850 1.00 50.13 C ATOM 573 O VAL A 72 0.037 -1.578 6.201 1.00 13.41 O ATOM 574 CB VAL A 72 1.291 -0.018 3.459 1.00 4.25 C ATOM 575 CG1 VAL A 72 2.627 0.653 3.751 1.00 53.20 C ATOM 576 CG2 VAL A 72 1.490 -1.510 3.205 1.00 22.32 C ATOM 0 H VAL A 72 0.679 2.262 4.361 1.00 54.04 H new ATOM 0 HA VAL A 72 -0.705 -0.155 4.273 1.00 71.14 H new ATOM 0 HB VAL A 72 0.881 0.440 2.559 1.00 4.25 H new ATOM 0 HG11 VAL A 72 3.315 0.467 2.927 1.00 53.20 H new ATOM 0 HG12 VAL A 72 2.478 1.727 3.864 1.00 53.20 H new ATOM 0 HG13 VAL A 72 3.045 0.246 4.672 1.00 53.20 H new ATOM 0 HG21 VAL A 72 2.212 -1.649 2.400 1.00 22.32 H new ATOM 0 HG22 VAL A 72 1.862 -1.987 4.112 1.00 22.32 H new ATOM 0 HG23 VAL A 72 0.539 -1.961 2.921 1.00 22.32 H new ATOM 586 N GLN A 73 1.735 -0.143 6.540 1.00 65.52 N ATOM 587 CA GLN A 73 2.237 -0.881 7.703 1.00 64.43 C ATOM 588 C GLN A 73 1.227 -0.891 8.864 1.00 45.05 C ATOM 589 O GLN A 73 1.215 -1.819 9.680 1.00 50.14 O ATOM 590 CB GLN A 73 3.612 -0.344 8.138 1.00 62.33 C ATOM 591 CG GLN A 73 3.663 1.135 8.532 1.00 5.13 C ATOM 592 CD GLN A 73 3.354 1.388 10.000 1.00 10.23 C ATOM 593 OE1 GLN A 73 3.518 0.515 10.845 1.00 3.35 O ATOM 594 NE2 GLN A 73 2.964 2.602 10.326 1.00 0.23 N ATOM 0 H GLN A 73 2.250 0.709 6.319 1.00 65.52 H new ATOM 0 HA GLN A 73 2.366 -1.921 7.403 1.00 64.43 H new ATOM 0 HB2 GLN A 73 3.960 -0.937 8.984 1.00 62.33 H new ATOM 0 HB3 GLN A 73 4.317 -0.507 7.323 1.00 62.33 H new ATOM 0 HG2 GLN A 73 4.654 1.528 8.305 1.00 5.13 H new ATOM 0 HG3 GLN A 73 2.952 1.690 7.919 1.00 5.13 H new ATOM 0 HE21 GLN A 73 2.836 3.308 9.601 1.00 0.23 H new ATOM 0 HE22 GLN A 73 2.790 2.837 11.303 1.00 0.23 H new ATOM 603 N ARG A 74 0.366 0.128 8.934 1.00 65.43 N ATOM 604 CA ARG A 74 -0.743 0.116 9.897 1.00 31.13 C ATOM 605 C ARG A 74 -1.790 -0.939 9.519 1.00 13.10 C ATOM 606 O ARG A 74 -2.129 -1.798 10.328 1.00 13.01 O ATOM 607 CB ARG A 74 -1.411 1.493 10.015 1.00 15.42 C ATOM 608 CG ARG A 74 -0.669 2.466 10.927 1.00 11.43 C ATOM 609 CD ARG A 74 -1.577 3.595 11.399 1.00 22.43 C ATOM 610 NE ARG A 74 -2.790 3.083 12.038 1.00 62.13 N ATOM 611 CZ ARG A 74 -3.368 3.626 13.075 1.00 71.22 C ATOM 612 NH1 ARG A 74 -2.839 4.643 13.676 1.00 63.11 N ATOM 613 NH2 ARG A 74 -4.472 3.128 13.522 1.00 31.25 N ATOM 0 H ARG A 74 0.412 0.960 8.346 1.00 65.43 H new ATOM 0 HA ARG A 74 -0.317 -0.139 10.867 1.00 31.13 H new ATOM 0 HB2 ARG A 74 -1.492 1.933 9.021 1.00 15.42 H new ATOM 0 HB3 ARG A 74 -2.426 1.362 10.389 1.00 15.42 H new ATOM 0 HG2 ARG A 74 -0.276 1.929 11.790 1.00 11.43 H new ATOM 0 HG3 ARG A 74 0.186 2.884 10.396 1.00 11.43 H new ATOM 0 HD2 ARG A 74 -1.035 4.228 12.102 1.00 22.43 H new ATOM 0 HD3 ARG A 74 -1.850 4.222 10.550 1.00 22.43 H new ATOM 0 HE ARG A 74 -3.214 2.242 11.645 1.00 62.13 H new ATOM 0 HH11 ARG A 74 -1.958 5.032 13.341 1.00 63.11 H new ATOM 0 HH12 ARG A 74 -3.303 5.056 14.485 1.00 63.11 H new ATOM 0 HH21 ARG A 74 -4.887 2.316 13.065 1.00 31.25 H new ATOM 0 HH22 ARG A 74 -4.929 3.547 14.332 1.00 31.25 H new ATOM 627 N THR A 75 -2.283 -0.877 8.282 1.00 74.20 N ATOM 628 CA THR A 75 -3.296 -1.826 7.786 1.00 35.01 C ATOM 629 C THR A 75 -2.936 -3.279 8.135 1.00 60.43 C ATOM 630 O THR A 75 -3.750 -4.026 8.687 1.00 41.22 O ATOM 631 CB THR A 75 -3.473 -1.706 6.249 1.00 23.25 C ATOM 632 OG1 THR A 75 -3.912 -0.382 5.902 1.00 21.05 O ATOM 633 CG2 THR A 75 -4.475 -2.727 5.717 1.00 4.34 C ATOM 0 H THR A 75 -1.999 -0.177 7.597 1.00 74.20 H new ATOM 0 HA THR A 75 -4.232 -1.566 8.281 1.00 35.01 H new ATOM 0 HB THR A 75 -2.504 -1.906 5.791 1.00 23.25 H new ATOM 0 HG1 THR A 75 -3.180 0.254 6.047 1.00 21.05 H new ATOM 0 HG21 THR A 75 -4.573 -2.613 4.637 1.00 4.34 H new ATOM 0 HG22 THR A 75 -4.125 -3.734 5.945 1.00 4.34 H new ATOM 0 HG23 THR A 75 -5.444 -2.565 6.188 1.00 4.34 H new ATOM 641 N PHE A 76 -1.699 -3.665 7.835 1.00 42.40 N ATOM 642 CA PHE A 76 -1.232 -5.028 8.103 1.00 31.23 C ATOM 643 C PHE A 76 -1.102 -5.328 9.609 1.00 65.24 C ATOM 644 O PHE A 76 -1.433 -6.428 10.049 1.00 52.43 O ATOM 645 CB PHE A 76 0.096 -5.292 7.380 1.00 33.35 C ATOM 646 CG PHE A 76 -0.067 -5.502 5.894 1.00 12.45 C ATOM 647 CD1 PHE A 76 -0.032 -4.432 5.013 1.00 34.34 C ATOM 648 CD2 PHE A 76 -0.267 -6.778 5.379 1.00 11.00 C ATOM 649 CE1 PHE A 76 -0.190 -4.627 3.655 1.00 43.24 C ATOM 650 CE2 PHE A 76 -0.424 -6.977 4.020 1.00 40.35 C ATOM 651 CZ PHE A 76 -0.386 -5.900 3.157 1.00 11.04 C ATOM 0 H PHE A 76 -1.001 -3.057 7.407 1.00 42.40 H new ATOM 0 HA PHE A 76 -1.991 -5.706 7.714 1.00 31.23 H new ATOM 0 HB2 PHE A 76 0.768 -4.451 7.550 1.00 33.35 H new ATOM 0 HB3 PHE A 76 0.570 -6.172 7.815 1.00 33.35 H new ATOM 0 HD1 PHE A 76 0.121 -3.433 5.394 1.00 34.34 H new ATOM 0 HD2 PHE A 76 -0.300 -7.624 6.049 1.00 11.00 H new ATOM 0 HE1 PHE A 76 -0.160 -3.783 2.982 1.00 43.24 H new ATOM 0 HE2 PHE A 76 -0.576 -7.974 3.634 1.00 40.35 H new ATOM 0 HZ PHE A 76 -0.509 -6.053 2.095 1.00 11.04 H new ATOM 661 N ARG A 77 -0.627 -4.367 10.408 1.00 61.22 N ATOM 662 CA ARG A 77 -0.472 -4.599 11.857 1.00 21.22 C ATOM 663 C ARG A 77 -1.819 -4.532 12.604 1.00 2.23 C ATOM 664 O ARG A 77 -1.977 -5.133 13.666 1.00 43.51 O ATOM 665 CB ARG A 77 0.517 -3.602 12.484 1.00 51.31 C ATOM 666 CG ARG A 77 0.007 -2.166 12.548 1.00 34.23 C ATOM 667 CD ARG A 77 0.985 -1.247 13.272 1.00 13.15 C ATOM 668 NE ARG A 77 2.311 -1.253 12.651 1.00 14.31 N ATOM 669 CZ ARG A 77 3.434 -1.302 13.317 1.00 15.13 C ATOM 670 NH1 ARG A 77 3.436 -1.332 14.610 1.00 33.11 N ATOM 671 NH2 ARG A 77 4.559 -1.306 12.685 1.00 14.23 N ATOM 0 H ARG A 77 -0.347 -3.439 10.090 1.00 61.22 H new ATOM 0 HA ARG A 77 -0.073 -5.608 11.964 1.00 21.22 H new ATOM 0 HB2 ARG A 77 0.759 -3.934 13.494 1.00 51.31 H new ATOM 0 HB3 ARG A 77 1.445 -3.620 11.912 1.00 51.31 H new ATOM 0 HG2 ARG A 77 -0.160 -1.795 11.537 1.00 34.23 H new ATOM 0 HG3 ARG A 77 -0.956 -2.145 13.058 1.00 34.23 H new ATOM 0 HD2 ARG A 77 0.592 -0.230 13.275 1.00 13.15 H new ATOM 0 HD3 ARG A 77 1.071 -1.559 14.313 1.00 13.15 H new ATOM 0 HE ARG A 77 2.361 -1.217 11.633 1.00 14.31 H new ATOM 0 HH11 ARG A 77 2.554 -1.317 15.122 1.00 33.11 H new ATOM 0 HH12 ARG A 77 4.320 -1.370 15.118 1.00 33.11 H new ATOM 0 HH21 ARG A 77 4.571 -1.271 11.666 1.00 14.23 H new ATOM 0 HH22 ARG A 77 5.436 -1.344 13.205 1.00 14.23 H new ATOM 685 N GLU A 78 -2.788 -3.801 12.049 1.00 42.34 N ATOM 686 CA GLU A 78 -4.107 -3.656 12.681 1.00 35.30 C ATOM 687 C GLU A 78 -5.018 -4.863 12.396 1.00 24.45 C ATOM 688 O GLU A 78 -5.904 -5.179 13.192 1.00 63.20 O ATOM 689 CB GLU A 78 -4.792 -2.355 12.223 1.00 74.14 C ATOM 690 CG GLU A 78 -4.096 -1.086 12.714 1.00 74.14 C ATOM 691 CD GLU A 78 -4.846 0.192 12.351 1.00 44.43 C ATOM 692 OE1 GLU A 78 -5.791 0.564 13.084 1.00 11.20 O ATOM 693 OE2 GLU A 78 -4.484 0.844 11.353 1.00 24.44 O ATOM 0 H GLU A 78 -2.688 -3.300 11.166 1.00 42.34 H new ATOM 0 HA GLU A 78 -3.943 -3.611 13.758 1.00 35.30 H new ATOM 0 HB2 GLU A 78 -4.830 -2.339 11.134 1.00 74.14 H new ATOM 0 HB3 GLU A 78 -5.823 -2.354 12.578 1.00 74.14 H new ATOM 0 HG2 GLU A 78 -3.983 -1.138 13.797 1.00 74.14 H new ATOM 0 HG3 GLU A 78 -3.093 -1.043 12.290 1.00 74.14 H new ATOM 700 N GLN A 79 -4.808 -5.525 11.259 1.00 12.02 N ATOM 701 CA GLN A 79 -5.608 -6.707 10.896 1.00 22.44 C ATOM 702 C GLN A 79 -4.802 -8.015 10.981 1.00 22.14 C ATOM 703 O GLN A 79 -5.145 -8.923 11.743 1.00 61.04 O ATOM 704 CB GLN A 79 -6.175 -6.555 9.482 1.00 52.40 C ATOM 705 CG GLN A 79 -7.086 -5.349 9.311 1.00 52.31 C ATOM 706 CD GLN A 79 -7.781 -5.333 7.963 1.00 74.12 C ATOM 707 OE1 GLN A 79 -7.259 -5.832 6.974 1.00 55.44 O ATOM 708 NE2 GLN A 79 -8.965 -4.764 7.915 1.00 34.55 N ATOM 0 H GLN A 79 -4.097 -5.270 10.574 1.00 12.02 H new ATOM 0 HA GLN A 79 -6.420 -6.767 11.621 1.00 22.44 H new ATOM 0 HB2 GLN A 79 -5.348 -6.477 8.776 1.00 52.40 H new ATOM 0 HB3 GLN A 79 -6.730 -7.457 9.225 1.00 52.40 H new ATOM 0 HG2 GLN A 79 -7.835 -5.349 10.103 1.00 52.31 H new ATOM 0 HG3 GLN A 79 -6.501 -4.437 9.425 1.00 52.31 H new ATOM 0 HE21 GLN A 79 -9.370 -4.358 8.758 1.00 34.55 H new ATOM 0 HE22 GLN A 79 -9.478 -4.728 7.034 1.00 34.55 H new ATOM 717 N PHE A 80 -3.744 -8.119 10.182 1.00 12.24 N ATOM 718 CA PHE A 80 -2.950 -9.353 10.105 1.00 24.54 C ATOM 719 C PHE A 80 -1.897 -9.429 11.223 1.00 50.24 C ATOM 720 O PHE A 80 -1.294 -10.478 11.451 1.00 72.02 O ATOM 721 CB PHE A 80 -2.267 -9.450 8.732 1.00 62.15 C ATOM 722 CG PHE A 80 -3.231 -9.344 7.575 1.00 71.24 C ATOM 723 CD1 PHE A 80 -4.020 -10.427 7.207 1.00 45.10 C ATOM 724 CD2 PHE A 80 -3.355 -8.159 6.862 1.00 44.42 C ATOM 725 CE1 PHE A 80 -4.907 -10.329 6.152 1.00 53.14 C ATOM 726 CE2 PHE A 80 -4.243 -8.058 5.808 1.00 51.41 C ATOM 727 CZ PHE A 80 -5.019 -9.143 5.452 1.00 64.45 C ATOM 0 H PHE A 80 -3.412 -7.368 9.577 1.00 12.24 H new ATOM 0 HA PHE A 80 -3.631 -10.194 10.237 1.00 24.54 H new ATOM 0 HB2 PHE A 80 -1.522 -8.659 8.648 1.00 62.15 H new ATOM 0 HB3 PHE A 80 -1.734 -10.398 8.666 1.00 62.15 H new ATOM 0 HD1 PHE A 80 -3.939 -11.356 7.752 1.00 45.10 H new ATOM 0 HD2 PHE A 80 -2.751 -7.306 7.134 1.00 44.42 H new ATOM 0 HE1 PHE A 80 -5.513 -11.179 5.875 1.00 53.14 H new ATOM 0 HE2 PHE A 80 -4.330 -7.130 5.263 1.00 51.41 H new ATOM 0 HZ PHE A 80 -5.712 -9.065 4.628 1.00 64.45 H new ATOM 737 N GLY A 81 -1.689 -8.313 11.920 1.00 44.42 N ATOM 738 CA GLY A 81 -0.683 -8.254 12.978 1.00 33.00 C ATOM 739 C GLY A 81 0.748 -8.311 12.450 1.00 4.55 C ATOM 740 O GLY A 81 1.688 -8.547 13.210 1.00 1.34 O ATOM 0 H GLY A 81 -2.200 -7.443 11.772 1.00 44.42 H new ATOM 0 HA2 GLY A 81 -0.817 -7.334 13.547 1.00 33.00 H new ATOM 0 HA3 GLY A 81 -0.842 -9.082 13.668 1.00 33.00 H new ATOM 744 N LEU A 82 0.911 -8.076 11.149 1.00 71.04 N ATOM 745 CA LEU A 82 2.222 -8.171 10.497 1.00 74.53 C ATOM 746 C LEU A 82 3.126 -6.985 10.872 1.00 50.52 C ATOM 747 O LEU A 82 2.770 -5.821 10.666 1.00 62.14 O ATOM 748 CB LEU A 82 2.049 -8.250 8.974 1.00 22.31 C ATOM 749 CG LEU A 82 3.345 -8.448 8.169 1.00 42.35 C ATOM 750 CD1 LEU A 82 4.036 -9.752 8.564 1.00 42.04 C ATOM 751 CD2 LEU A 82 3.055 -8.422 6.669 1.00 24.11 C ATOM 0 H LEU A 82 0.150 -7.817 10.521 1.00 71.04 H new ATOM 0 HA LEU A 82 2.707 -9.081 10.850 1.00 74.53 H new ATOM 0 HB2 LEU A 82 1.371 -9.072 8.745 1.00 22.31 H new ATOM 0 HB3 LEU A 82 1.566 -7.334 8.633 1.00 22.31 H new ATOM 0 HG LEU A 82 4.020 -7.624 8.402 1.00 42.35 H new ATOM 0 HD11 LEU A 82 4.950 -9.870 7.982 1.00 42.04 H new ATOM 0 HD12 LEU A 82 4.283 -9.726 9.625 1.00 42.04 H new ATOM 0 HD13 LEU A 82 3.369 -10.591 8.367 1.00 42.04 H new ATOM 0 HD21 LEU A 82 3.984 -8.564 6.116 1.00 24.11 H new ATOM 0 HD22 LEU A 82 2.358 -9.222 6.419 1.00 24.11 H new ATOM 0 HD23 LEU A 82 2.616 -7.461 6.400 1.00 24.11 H new ATOM 763 N GLU A 83 4.297 -7.294 11.418 1.00 3.12 N ATOM 764 CA GLU A 83 5.242 -6.272 11.876 1.00 64.14 C ATOM 765 C GLU A 83 5.961 -5.567 10.705 1.00 14.52 C ATOM 766 O GLU A 83 7.061 -5.952 10.301 1.00 51.24 O ATOM 767 CB GLU A 83 6.264 -6.902 12.840 1.00 23.03 C ATOM 768 CG GLU A 83 6.996 -8.118 12.268 1.00 73.12 C ATOM 769 CD GLU A 83 8.026 -8.691 13.228 1.00 31.42 C ATOM 770 OE1 GLU A 83 9.158 -8.164 13.277 1.00 55.24 O ATOM 771 OE2 GLU A 83 7.709 -9.667 13.940 1.00 24.45 O ATOM 0 H GLU A 83 4.620 -8.252 11.557 1.00 3.12 H new ATOM 0 HA GLU A 83 4.671 -5.506 12.400 1.00 64.14 H new ATOM 0 HB2 GLU A 83 6.999 -6.146 13.118 1.00 23.03 H new ATOM 0 HB3 GLU A 83 5.750 -7.198 13.755 1.00 23.03 H new ATOM 0 HG2 GLU A 83 6.268 -8.891 12.020 1.00 73.12 H new ATOM 0 HG3 GLU A 83 7.490 -7.835 11.339 1.00 73.12 H new ATOM 778 N LEU A 84 5.324 -4.538 10.151 1.00 42.32 N ATOM 779 CA LEU A 84 5.943 -3.719 9.099 1.00 1.24 C ATOM 780 C LEU A 84 6.367 -2.342 9.642 1.00 64.41 C ATOM 781 O LEU A 84 5.608 -1.692 10.362 1.00 3.33 O ATOM 782 CB LEU A 84 4.983 -3.537 7.913 1.00 4.25 C ATOM 783 CG LEU A 84 4.690 -4.803 7.092 1.00 14.31 C ATOM 784 CD1 LEU A 84 3.727 -4.484 5.948 1.00 63.25 C ATOM 785 CD2 LEU A 84 5.988 -5.411 6.557 1.00 63.42 C ATOM 0 H LEU A 84 4.381 -4.248 10.409 1.00 42.32 H new ATOM 0 HA LEU A 84 6.834 -4.246 8.756 1.00 1.24 H new ATOM 0 HB2 LEU A 84 4.039 -3.145 8.291 1.00 4.25 H new ATOM 0 HB3 LEU A 84 5.398 -2.782 7.246 1.00 4.25 H new ATOM 0 HG LEU A 84 4.217 -5.537 7.744 1.00 14.31 H new ATOM 0 HD11 LEU A 84 3.529 -5.390 5.376 1.00 63.25 H new ATOM 0 HD12 LEU A 84 2.792 -4.101 6.356 1.00 63.25 H new ATOM 0 HD13 LEU A 84 4.173 -3.733 5.296 1.00 63.25 H new ATOM 0 HD21 LEU A 84 5.759 -6.306 5.979 1.00 63.42 H new ATOM 0 HD22 LEU A 84 6.493 -4.686 5.919 1.00 63.42 H new ATOM 0 HD23 LEU A 84 6.637 -5.675 7.392 1.00 63.42 H new ATOM 797 N PRO A 85 7.587 -1.879 9.299 1.00 42.45 N ATOM 798 CA PRO A 85 8.102 -0.575 9.753 1.00 75.20 C ATOM 799 C PRO A 85 7.398 0.621 9.081 1.00 4.21 C ATOM 800 O PRO A 85 6.852 0.498 7.986 1.00 50.05 O ATOM 801 CB PRO A 85 9.584 -0.626 9.357 1.00 74.42 C ATOM 802 CG PRO A 85 9.628 -1.563 8.197 1.00 40.01 C ATOM 803 CD PRO A 85 8.560 -2.592 8.452 1.00 30.42 C ATOM 0 HA PRO A 85 7.932 -0.423 10.819 1.00 75.20 H new ATOM 0 HB2 PRO A 85 9.956 0.361 9.084 1.00 74.42 H new ATOM 0 HB3 PRO A 85 10.203 -0.984 10.180 1.00 74.42 H new ATOM 0 HG2 PRO A 85 9.445 -1.034 7.262 1.00 40.01 H new ATOM 0 HG3 PRO A 85 10.608 -2.032 8.111 1.00 40.01 H new ATOM 0 HD2 PRO A 85 8.106 -2.937 7.523 1.00 30.42 H new ATOM 0 HD3 PRO A 85 8.962 -3.471 8.956 1.00 30.42 H new ATOM 811 N ARG A 86 7.441 1.780 9.741 1.00 14.11 N ATOM 812 CA ARG A 86 6.708 2.975 9.276 1.00 15.13 C ATOM 813 C ARG A 86 7.072 3.410 7.839 1.00 44.30 C ATOM 814 O ARG A 86 6.188 3.743 7.056 1.00 75.21 O ATOM 815 CB ARG A 86 6.909 4.171 10.236 1.00 60.54 C ATOM 816 CG ARG A 86 8.364 4.625 10.392 1.00 52.31 C ATOM 817 CD ARG A 86 9.062 3.935 11.560 1.00 31.43 C ATOM 818 NE ARG A 86 10.489 3.743 11.309 1.00 52.23 N ATOM 819 CZ ARG A 86 11.441 3.984 12.171 1.00 30.12 C ATOM 820 NH1 ARG A 86 11.181 4.502 13.329 1.00 74.31 N ATOM 821 NH2 ARG A 86 12.664 3.716 11.857 1.00 73.13 N ATOM 0 H ARG A 86 7.973 1.924 10.599 1.00 14.11 H new ATOM 0 HA ARG A 86 5.660 2.676 9.270 1.00 15.13 H new ATOM 0 HB2 ARG A 86 6.316 5.012 9.877 1.00 60.54 H new ATOM 0 HB3 ARG A 86 6.519 3.902 11.218 1.00 60.54 H new ATOM 0 HG2 ARG A 86 8.908 4.416 9.471 1.00 52.31 H new ATOM 0 HG3 ARG A 86 8.392 5.704 10.541 1.00 52.31 H new ATOM 0 HD2 ARG A 86 8.930 4.530 12.464 1.00 31.43 H new ATOM 0 HD3 ARG A 86 8.593 2.968 11.743 1.00 31.43 H new ATOM 0 HE ARG A 86 10.763 3.394 10.390 1.00 52.23 H new ATOM 0 HH11 ARG A 86 10.219 4.729 13.582 1.00 74.31 H new ATOM 0 HH12 ARG A 86 11.938 4.683 13.988 1.00 74.31 H new ATOM 0 HH21 ARG A 86 12.881 3.320 10.943 1.00 73.13 H new ATOM 0 HH22 ARG A 86 13.414 3.901 12.523 1.00 73.13 H new ATOM 835 N SER A 87 8.363 3.409 7.490 1.00 23.42 N ATOM 836 CA SER A 87 8.812 4.013 6.216 1.00 13.43 C ATOM 837 C SER A 87 9.119 2.984 5.114 1.00 64.23 C ATOM 838 O SER A 87 9.503 1.843 5.386 1.00 52.21 O ATOM 839 CB SER A 87 10.046 4.896 6.451 1.00 12.45 C ATOM 840 OG SER A 87 9.730 6.010 7.275 1.00 33.14 O ATOM 0 H SER A 87 9.110 3.006 8.056 1.00 23.42 H new ATOM 0 HA SER A 87 7.975 4.613 5.860 1.00 13.43 H new ATOM 0 HB2 SER A 87 10.835 4.307 6.918 1.00 12.45 H new ATOM 0 HB3 SER A 87 10.434 5.246 5.494 1.00 12.45 H new ATOM 0 HG SER A 87 10.533 6.555 7.410 1.00 33.14 H new ATOM 846 N THR A 88 8.960 3.432 3.862 1.00 35.31 N ATOM 847 CA THR A 88 9.208 2.608 2.662 1.00 5.12 C ATOM 848 C THR A 88 10.579 1.933 2.675 1.00 20.33 C ATOM 849 O THR A 88 10.678 0.707 2.594 1.00 1.31 O ATOM 850 CB THR A 88 9.144 3.461 1.376 1.00 52.21 C ATOM 851 OG1 THR A 88 10.071 4.554 1.474 1.00 32.53 O ATOM 852 CG2 THR A 88 7.745 4.001 1.131 1.00 0.50 C ATOM 0 H THR A 88 8.654 4.381 3.647 1.00 35.31 H new ATOM 0 HA THR A 88 8.427 1.848 2.675 1.00 5.12 H new ATOM 0 HB THR A 88 9.410 2.820 0.535 1.00 52.21 H new ATOM 0 HG1 THR A 88 9.576 5.395 1.565 1.00 32.53 H new ATOM 0 HG21 THR A 88 7.739 4.596 0.218 1.00 0.50 H new ATOM 0 HG22 THR A 88 7.047 3.170 1.027 1.00 0.50 H new ATOM 0 HG23 THR A 88 7.443 4.625 1.972 1.00 0.50 H new ATOM 860 N TYR A 89 11.631 2.748 2.753 1.00 62.34 N ATOM 861 CA TYR A 89 13.015 2.263 2.673 1.00 12.22 C ATOM 862 C TYR A 89 13.259 1.044 3.578 1.00 34.44 C ATOM 863 O TYR A 89 14.015 0.136 3.235 1.00 32.20 O ATOM 864 CB TYR A 89 13.993 3.384 3.052 1.00 22.44 C ATOM 865 CG TYR A 89 13.894 4.616 2.168 1.00 63.44 C ATOM 866 CD1 TYR A 89 14.653 4.730 1.007 1.00 34.42 C ATOM 867 CD2 TYR A 89 13.044 5.666 2.498 1.00 11.41 C ATOM 868 CE1 TYR A 89 14.567 5.852 0.205 1.00 64.34 C ATOM 869 CE2 TYR A 89 12.953 6.790 1.702 1.00 23.52 C ATOM 870 CZ TYR A 89 13.714 6.878 0.557 1.00 61.40 C ATOM 871 OH TYR A 89 13.628 8.002 -0.236 1.00 22.31 O ATOM 0 H TYR A 89 11.552 3.758 2.873 1.00 62.34 H new ATOM 0 HA TYR A 89 13.185 1.953 1.642 1.00 12.22 H new ATOM 0 HB2 TYR A 89 13.812 3.676 4.086 1.00 22.44 H new ATOM 0 HB3 TYR A 89 15.010 2.996 3.004 1.00 22.44 H new ATOM 0 HD1 TYR A 89 15.320 3.928 0.728 1.00 34.42 H new ATOM 0 HD2 TYR A 89 12.444 5.601 3.394 1.00 11.41 H new ATOM 0 HE1 TYR A 89 15.164 5.925 -0.692 1.00 64.34 H new ATOM 0 HE2 TYR A 89 12.289 7.596 1.975 1.00 23.52 H new ATOM 0 HH TYR A 89 12.981 8.628 0.152 1.00 22.31 H new ATOM 881 N GLU A 90 12.604 1.035 4.734 1.00 33.50 N ATOM 882 CA GLU A 90 12.711 -0.073 5.686 1.00 70.34 C ATOM 883 C GLU A 90 11.841 -1.265 5.251 1.00 12.55 C ATOM 884 O GLU A 90 12.264 -2.420 5.325 1.00 64.13 O ATOM 885 CB GLU A 90 12.296 0.415 7.076 1.00 22.12 C ATOM 886 CG GLU A 90 13.126 1.592 7.577 1.00 3.11 C ATOM 887 CD GLU A 90 12.648 2.124 8.917 1.00 74.04 C ATOM 888 OE1 GLU A 90 13.060 1.577 9.962 1.00 21.42 O ATOM 889 OE2 GLU A 90 11.856 3.088 8.933 1.00 32.52 O ATOM 0 H GLU A 90 11.987 1.788 5.039 1.00 33.50 H new ATOM 0 HA GLU A 90 13.746 -0.415 5.714 1.00 70.34 H new ATOM 0 HB2 GLU A 90 11.245 0.705 7.053 1.00 22.12 H new ATOM 0 HB3 GLU A 90 12.384 -0.409 7.784 1.00 22.12 H new ATOM 0 HG2 GLU A 90 14.168 1.284 7.665 1.00 3.11 H new ATOM 0 HG3 GLU A 90 13.092 2.394 6.840 1.00 3.11 H new ATOM 896 N GLN A 91 10.622 -0.973 4.794 1.00 40.30 N ATOM 897 CA GLN A 91 9.715 -2.006 4.268 1.00 25.23 C ATOM 898 C GLN A 91 10.308 -2.697 3.025 1.00 31.32 C ATOM 899 O GLN A 91 9.914 -3.812 2.670 1.00 33.23 O ATOM 900 CB GLN A 91 8.355 -1.386 3.905 1.00 72.00 C ATOM 901 CG GLN A 91 7.567 -0.843 5.092 1.00 40.43 C ATOM 902 CD GLN A 91 6.272 -0.163 4.669 1.00 24.04 C ATOM 903 OE1 GLN A 91 5.687 -0.498 3.645 1.00 14.01 O ATOM 904 NE2 GLN A 91 5.812 0.791 5.456 1.00 32.42 N ATOM 0 H GLN A 91 10.236 -0.029 4.776 1.00 40.30 H new ATOM 0 HA GLN A 91 9.582 -2.754 5.049 1.00 25.23 H new ATOM 0 HB2 GLN A 91 8.518 -0.577 3.193 1.00 72.00 H new ATOM 0 HB3 GLN A 91 7.751 -2.139 3.399 1.00 72.00 H new ATOM 0 HG2 GLN A 91 7.338 -1.660 5.776 1.00 40.43 H new ATOM 0 HG3 GLN A 91 8.185 -0.132 5.640 1.00 40.43 H new ATOM 0 HE21 GLN A 91 6.323 1.046 6.301 1.00 32.42 H new ATOM 0 HE22 GLN A 91 4.945 1.274 5.219 1.00 32.42 H new ATOM 913 N GLN A 92 11.238 -2.014 2.360 1.00 52.21 N ATOM 914 CA GLN A 92 11.925 -2.554 1.180 1.00 53.21 C ATOM 915 C GLN A 92 12.818 -3.755 1.528 1.00 73.23 C ATOM 916 O GLN A 92 12.952 -4.689 0.739 1.00 1.45 O ATOM 917 CB GLN A 92 12.773 -1.457 0.522 1.00 51.22 C ATOM 918 CG GLN A 92 11.962 -0.401 -0.220 1.00 33.51 C ATOM 919 CD GLN A 92 12.811 0.730 -0.784 1.00 43.54 C ATOM 920 OE1 GLN A 92 12.338 1.846 -0.970 1.00 13.12 O ATOM 921 NE2 GLN A 92 14.076 0.463 -1.040 1.00 2.20 N ATOM 0 H GLN A 92 11.538 -1.074 2.620 1.00 52.21 H new ATOM 0 HA GLN A 92 11.158 -2.901 0.487 1.00 53.21 H new ATOM 0 HB2 GLN A 92 13.371 -0.966 1.290 1.00 51.22 H new ATOM 0 HB3 GLN A 92 13.469 -1.921 -0.176 1.00 51.22 H new ATOM 0 HG2 GLN A 92 11.418 -0.878 -1.035 1.00 33.51 H new ATOM 0 HG3 GLN A 92 11.218 0.017 0.458 1.00 33.51 H new ATOM 0 HE21 GLN A 92 14.443 -0.475 -0.876 1.00 2.20 H new ATOM 0 HE22 GLN A 92 14.688 1.194 -1.402 1.00 2.20 H new ATOM 930 N GLU A 93 13.414 -3.722 2.713 1.00 52.34 N ATOM 931 CA GLU A 93 14.371 -4.751 3.135 1.00 0.23 C ATOM 932 C GLU A 93 13.679 -5.987 3.732 1.00 44.42 C ATOM 933 O GLU A 93 14.317 -7.020 3.954 1.00 0.31 O ATOM 934 CB GLU A 93 15.350 -4.148 4.148 1.00 23.31 C ATOM 935 CG GLU A 93 16.123 -2.948 3.605 1.00 12.45 C ATOM 936 CD GLU A 93 17.035 -3.306 2.442 1.00 30.44 C ATOM 937 OE1 GLU A 93 18.069 -3.970 2.673 1.00 41.00 O ATOM 938 OE2 GLU A 93 16.740 -2.908 1.292 1.00 44.31 O ATOM 0 H GLU A 93 13.254 -2.991 3.406 1.00 52.34 H new ATOM 0 HA GLU A 93 14.910 -5.089 2.250 1.00 0.23 H new ATOM 0 HB2 GLU A 93 14.799 -3.843 5.038 1.00 23.31 H new ATOM 0 HB3 GLU A 93 16.058 -4.916 4.459 1.00 23.31 H new ATOM 0 HG2 GLU A 93 15.416 -2.183 3.283 1.00 12.45 H new ATOM 0 HG3 GLU A 93 16.720 -2.514 4.407 1.00 12.45 H new ATOM 945 N MET A 94 12.378 -5.881 3.993 1.00 74.54 N ATOM 946 CA MET A 94 11.614 -6.996 4.568 1.00 10.45 C ATOM 947 C MET A 94 10.920 -7.828 3.475 1.00 23.15 C ATOM 948 O MET A 94 11.297 -8.972 3.225 1.00 72.12 O ATOM 949 CB MET A 94 10.584 -6.479 5.577 1.00 4.40 C ATOM 950 CG MET A 94 11.197 -5.675 6.715 1.00 52.32 C ATOM 951 SD MET A 94 10.030 -5.336 8.046 1.00 75.32 S ATOM 952 CE MET A 94 9.623 -6.998 8.584 1.00 15.03 C ATOM 0 H MET A 94 11.829 -5.040 3.818 1.00 74.54 H new ATOM 0 HA MET A 94 12.319 -7.646 5.086 1.00 10.45 H new ATOM 0 HB2 MET A 94 9.856 -5.858 5.055 1.00 4.40 H new ATOM 0 HB3 MET A 94 10.039 -7.326 5.994 1.00 4.40 H new ATOM 0 HG2 MET A 94 12.051 -6.219 7.118 1.00 52.32 H new ATOM 0 HG3 MET A 94 11.576 -4.731 6.323 1.00 52.32 H new ATOM 0 HE1 MET A 94 9.329 -6.979 9.634 1.00 15.03 H new ATOM 0 HE2 MET A 94 8.799 -7.383 7.984 1.00 15.03 H new ATOM 0 HE3 MET A 94 10.493 -7.643 8.462 1.00 15.03 H new ATOM 962 N GLY A 95 9.898 -7.256 2.836 1.00 21.13 N ATOM 963 CA GLY A 95 9.209 -7.965 1.760 1.00 34.12 C ATOM 964 C GLY A 95 10.094 -8.158 0.537 1.00 72.54 C ATOM 965 O GLY A 95 10.705 -7.207 0.045 1.00 73.43 O ATOM 0 H GLY A 95 9.536 -6.324 3.039 1.00 21.13 H new ATOM 0 HA2 GLY A 95 8.877 -8.938 2.123 1.00 34.12 H new ATOM 0 HA3 GLY A 95 8.316 -7.409 1.475 1.00 34.12 H new ATOM 969 N LYS A 96 10.159 -9.383 0.032 1.00 43.34 N ATOM 970 CA LYS A 96 11.047 -9.699 -1.082 1.00 13.00 C ATOM 971 C LYS A 96 10.409 -9.393 -2.441 1.00 5.44 C ATOM 972 O LYS A 96 9.215 -9.607 -2.652 1.00 21.31 O ATOM 973 CB LYS A 96 11.483 -11.158 -1.004 1.00 40.31 C ATOM 974 CG LYS A 96 12.237 -11.491 0.283 1.00 31.44 C ATOM 975 CD LYS A 96 13.362 -10.492 0.572 1.00 62.11 C ATOM 976 CE LYS A 96 14.495 -10.583 -0.446 1.00 3.22 C ATOM 977 NZ LYS A 96 15.196 -11.891 -0.383 1.00 53.31 N ATOM 0 H LYS A 96 9.610 -10.172 0.374 1.00 43.34 H new ATOM 0 HA LYS A 96 11.924 -9.057 -0.996 1.00 13.00 H new ATOM 0 HB2 LYS A 96 10.604 -11.798 -1.079 1.00 40.31 H new ATOM 0 HB3 LYS A 96 12.118 -11.387 -1.860 1.00 40.31 H new ATOM 0 HG2 LYS A 96 11.538 -11.500 1.119 1.00 31.44 H new ATOM 0 HG3 LYS A 96 12.656 -12.495 0.207 1.00 31.44 H new ATOM 0 HD2 LYS A 96 12.956 -9.481 0.570 1.00 62.11 H new ATOM 0 HD3 LYS A 96 13.759 -10.674 1.571 1.00 62.11 H new ATOM 0 HE2 LYS A 96 14.094 -10.434 -1.449 1.00 3.22 H new ATOM 0 HE3 LYS A 96 15.209 -9.780 -0.266 1.00 3.22 H new ATOM 0 HZ1 LYS A 96 16.075 -11.841 -0.937 1.00 53.31 H new ATOM 0 HZ2 LYS A 96 15.423 -12.116 0.607 1.00 53.31 H new ATOM 0 HZ3 LYS A 96 14.582 -12.633 -0.774 1.00 53.31 H new ATOM 991 N SER A 97 11.246 -8.925 -3.358 1.00 15.44 N ATOM 992 CA SER A 97 10.797 -8.376 -4.649 1.00 45.42 C ATOM 993 C SER A 97 10.119 -9.420 -5.553 1.00 33.11 C ATOM 994 O SER A 97 10.515 -10.587 -5.589 1.00 12.21 O ATOM 995 CB SER A 97 11.983 -7.743 -5.381 1.00 41.22 C ATOM 996 OG SER A 97 12.644 -6.800 -4.549 1.00 21.25 O ATOM 0 H SER A 97 12.259 -8.912 -3.236 1.00 15.44 H new ATOM 0 HA SER A 97 10.042 -7.622 -4.425 1.00 45.42 H new ATOM 0 HB2 SER A 97 12.684 -8.520 -5.687 1.00 41.22 H new ATOM 0 HB3 SER A 97 11.635 -7.252 -6.290 1.00 41.22 H new ATOM 0 HG SER A 97 12.688 -5.934 -5.006 1.00 21.25 H new ATOM 1002 N VAL A 98 9.099 -8.973 -6.298 1.00 50.41 N ATOM 1003 CA VAL A 98 8.321 -9.851 -7.186 1.00 64.52 C ATOM 1004 C VAL A 98 8.145 -9.228 -8.584 1.00 73.30 C ATOM 1005 O VAL A 98 8.348 -8.025 -8.773 1.00 55.31 O ATOM 1006 CB VAL A 98 6.907 -10.150 -6.602 1.00 25.31 C ATOM 1007 CG1 VAL A 98 6.558 -11.627 -6.747 1.00 30.43 C ATOM 1008 CG2 VAL A 98 6.802 -9.704 -5.146 1.00 42.10 C ATOM 0 H VAL A 98 8.791 -8.001 -6.304 1.00 50.41 H new ATOM 0 HA VAL A 98 8.886 -10.780 -7.267 1.00 64.52 H new ATOM 0 HB VAL A 98 6.183 -9.574 -7.178 1.00 25.31 H new ATOM 0 HG11 VAL A 98 5.567 -11.809 -6.332 1.00 30.43 H new ATOM 0 HG12 VAL A 98 6.565 -11.901 -7.802 1.00 30.43 H new ATOM 0 HG13 VAL A 98 7.292 -12.229 -6.211 1.00 30.43 H new ATOM 0 HG21 VAL A 98 5.804 -9.926 -4.768 1.00 42.10 H new ATOM 0 HG22 VAL A 98 7.543 -10.235 -4.548 1.00 42.10 H new ATOM 0 HG23 VAL A 98 6.984 -8.631 -5.080 1.00 42.10 H new ATOM 1018 N SER A 99 7.761 -10.055 -9.558 1.00 70.41 N ATOM 1019 CA SER A 99 7.450 -9.575 -10.916 1.00 42.21 C ATOM 1020 C SER A 99 5.973 -9.827 -11.269 1.00 71.52 C ATOM 1021 O SER A 99 5.262 -10.516 -10.537 1.00 72.14 O ATOM 1022 CB SER A 99 8.362 -10.247 -11.950 1.00 44.34 C ATOM 1023 OG SER A 99 8.170 -9.701 -13.249 1.00 3.55 O ATOM 0 H SER A 99 7.656 -11.062 -9.437 1.00 70.41 H new ATOM 0 HA SER A 99 7.628 -8.500 -10.937 1.00 42.21 H new ATOM 0 HB2 SER A 99 9.403 -10.123 -11.653 1.00 44.34 H new ATOM 0 HB3 SER A 99 8.162 -11.318 -11.971 1.00 44.34 H new ATOM 0 HG SER A 99 8.767 -10.149 -13.884 1.00 3.55 H new ATOM 1029 N ARG A 100 5.529 -9.281 -12.407 1.00 24.25 N ATOM 1030 CA ARG A 100 4.108 -9.309 -12.816 1.00 14.24 C ATOM 1031 C ARG A 100 3.416 -10.675 -12.610 1.00 65.34 C ATOM 1032 O ARG A 100 2.407 -10.763 -11.907 1.00 52.31 O ATOM 1033 CB ARG A 100 3.964 -8.887 -14.288 1.00 50.21 C ATOM 1034 CG ARG A 100 4.089 -7.386 -14.535 1.00 64.11 C ATOM 1035 CD ARG A 100 3.053 -6.586 -13.746 1.00 71.34 C ATOM 1036 NE ARG A 100 1.699 -7.131 -13.887 1.00 44.30 N ATOM 1037 CZ ARG A 100 0.648 -6.665 -13.263 1.00 54.12 C ATOM 1038 NH1 ARG A 100 0.726 -5.582 -12.561 1.00 1.25 N ATOM 1039 NH2 ARG A 100 -0.487 -7.274 -13.365 1.00 34.31 N ATOM 0 H ARG A 100 6.138 -8.807 -13.074 1.00 24.25 H new ATOM 0 HA ARG A 100 3.605 -8.600 -12.159 1.00 14.24 H new ATOM 0 HB2 ARG A 100 4.723 -9.403 -14.876 1.00 50.21 H new ATOM 0 HB3 ARG A 100 2.994 -9.223 -14.655 1.00 50.21 H new ATOM 0 HG2 ARG A 100 5.090 -7.055 -14.258 1.00 64.11 H new ATOM 0 HG3 ARG A 100 3.970 -7.183 -15.599 1.00 64.11 H new ATOM 0 HD2 ARG A 100 3.330 -6.578 -12.692 1.00 71.34 H new ATOM 0 HD3 ARG A 100 3.062 -5.550 -14.086 1.00 71.34 H new ATOM 0 HE ARG A 100 1.568 -7.926 -14.513 1.00 44.30 H new ATOM 0 HH11 ARG A 100 1.613 -5.083 -12.490 1.00 1.25 H new ATOM 0 HH12 ARG A 100 -0.099 -5.227 -12.078 1.00 1.25 H new ATOM 0 HH21 ARG A 100 -0.564 -8.118 -13.932 1.00 34.31 H new ATOM 0 HH22 ARG A 100 -1.306 -6.910 -12.878 1.00 34.31 H new ATOM 1053 N SER A 101 3.951 -11.730 -13.219 1.00 22.10 N ATOM 1054 CA SER A 101 3.295 -13.055 -13.185 1.00 21.23 C ATOM 1055 C SER A 101 3.324 -13.706 -11.786 1.00 40.41 C ATOM 1056 O SER A 101 2.660 -14.719 -11.552 1.00 51.40 O ATOM 1057 CB SER A 101 3.946 -14.001 -14.211 1.00 63.33 C ATOM 1058 OG SER A 101 3.282 -15.258 -14.258 1.00 55.54 O ATOM 0 H SER A 101 4.828 -11.705 -13.740 1.00 22.10 H new ATOM 0 HA SER A 101 2.249 -12.889 -13.442 1.00 21.23 H new ATOM 0 HB2 SER A 101 3.923 -13.539 -15.198 1.00 63.33 H new ATOM 0 HB3 SER A 101 4.994 -14.152 -13.954 1.00 63.33 H new ATOM 0 HG SER A 101 2.912 -15.466 -13.375 1.00 55.54 H new ATOM 1064 N ASN A 102 4.074 -13.120 -10.851 1.00 54.34 N ATOM 1065 CA ASN A 102 4.212 -13.689 -9.501 1.00 54.51 C ATOM 1066 C ASN A 102 3.607 -12.780 -8.413 1.00 12.35 C ATOM 1067 O ASN A 102 3.723 -13.076 -7.222 1.00 5.20 O ATOM 1068 CB ASN A 102 5.691 -13.959 -9.203 1.00 23.41 C ATOM 1069 CG ASN A 102 6.245 -15.121 -10.010 1.00 62.40 C ATOM 1070 OD1 ASN A 102 6.249 -16.264 -9.556 1.00 1.52 O ATOM 1071 ND2 ASN A 102 6.708 -14.854 -11.213 1.00 44.14 N ATOM 0 H ASN A 102 4.595 -12.255 -10.999 1.00 54.34 H new ATOM 0 HA ASN A 102 3.653 -14.624 -9.481 1.00 54.51 H new ATOM 0 HB2 ASN A 102 6.271 -13.062 -9.419 1.00 23.41 H new ATOM 0 HB3 ASN A 102 5.812 -14.169 -8.140 1.00 23.41 H new ATOM 0 HD21 ASN A 102 7.082 -15.605 -11.794 1.00 44.14 H new ATOM 0 HD22 ASN A 102 6.692 -13.897 -11.565 1.00 44.14 H new ATOM 1078 N LEU A 103 2.963 -11.685 -8.820 1.00 11.33 N ATOM 1079 CA LEU A 103 2.342 -10.747 -7.868 1.00 52.22 C ATOM 1080 C LEU A 103 1.239 -11.427 -7.033 1.00 62.10 C ATOM 1081 O LEU A 103 0.371 -12.119 -7.576 1.00 44.43 O ATOM 1082 CB LEU A 103 1.759 -9.538 -8.615 1.00 4.22 C ATOM 1083 CG LEU A 103 2.777 -8.695 -9.401 1.00 51.05 C ATOM 1084 CD1 LEU A 103 2.080 -7.574 -10.166 1.00 64.13 C ATOM 1085 CD2 LEU A 103 3.844 -8.124 -8.475 1.00 5.02 C ATOM 0 H LEU A 103 2.855 -11.421 -9.799 1.00 11.33 H new ATOM 0 HA LEU A 103 3.122 -10.411 -7.184 1.00 52.22 H new ATOM 0 HB2 LEU A 103 0.996 -9.894 -9.307 1.00 4.22 H new ATOM 0 HB3 LEU A 103 1.259 -8.893 -7.893 1.00 4.22 H new ATOM 0 HG LEU A 103 3.266 -9.350 -10.122 1.00 51.05 H new ATOM 0 HD11 LEU A 103 2.821 -6.992 -10.714 1.00 64.13 H new ATOM 0 HD12 LEU A 103 1.364 -8.003 -10.867 1.00 64.13 H new ATOM 0 HD13 LEU A 103 1.556 -6.925 -9.464 1.00 64.13 H new ATOM 0 HD21 LEU A 103 4.551 -7.532 -9.056 1.00 5.02 H new ATOM 0 HD22 LEU A 103 3.372 -7.491 -7.723 1.00 5.02 H new ATOM 0 HD23 LEU A 103 4.373 -8.940 -7.982 1.00 5.02 H new ATOM 1097 N ARG A 104 1.263 -11.211 -5.718 1.00 63.13 N ATOM 1098 CA ARG A 104 0.309 -11.860 -4.805 1.00 32.14 C ATOM 1099 C ARG A 104 -0.732 -10.872 -4.252 1.00 52.01 C ATOM 1100 O ARG A 104 -0.615 -9.657 -4.416 1.00 0.01 O ATOM 1101 CB ARG A 104 1.062 -12.514 -3.637 1.00 54.15 C ATOM 1102 CG ARG A 104 2.094 -13.550 -4.070 1.00 33.42 C ATOM 1103 CD ARG A 104 2.769 -14.207 -2.870 1.00 45.04 C ATOM 1104 NE ARG A 104 3.756 -15.210 -3.269 1.00 14.23 N ATOM 1105 CZ ARG A 104 3.895 -16.374 -2.690 1.00 50.32 C ATOM 1106 NH1 ARG A 104 3.114 -16.725 -1.718 1.00 43.01 N ATOM 1107 NH2 ARG A 104 4.809 -17.194 -3.093 1.00 45.41 N ATOM 0 H ARG A 104 1.930 -10.593 -5.257 1.00 63.13 H new ATOM 0 HA ARG A 104 -0.223 -12.618 -5.380 1.00 32.14 H new ATOM 0 HB2 ARG A 104 1.562 -11.737 -3.059 1.00 54.15 H new ATOM 0 HB3 ARG A 104 0.340 -12.990 -2.973 1.00 54.15 H new ATOM 0 HG2 ARG A 104 1.610 -14.314 -4.679 1.00 33.42 H new ATOM 0 HG3 ARG A 104 2.848 -13.073 -4.696 1.00 33.42 H new ATOM 0 HD2 ARG A 104 3.256 -13.442 -2.266 1.00 45.04 H new ATOM 0 HD3 ARG A 104 2.012 -14.676 -2.241 1.00 45.04 H new ATOM 0 HE ARG A 104 4.375 -14.987 -4.048 1.00 14.23 H new ATOM 0 HH11 ARG A 104 2.382 -16.091 -1.398 1.00 43.01 H new ATOM 0 HH12 ARG A 104 3.231 -17.635 -1.273 1.00 43.01 H new ATOM 0 HH21 ARG A 104 5.424 -16.934 -3.864 1.00 45.41 H new ATOM 0 HH22 ARG A 104 4.916 -18.102 -2.640 1.00 45.41 H new ATOM 1121 N THR A 105 -1.761 -11.408 -3.594 1.00 24.55 N ATOM 1122 CA THR A 105 -2.782 -10.578 -2.938 1.00 75.54 C ATOM 1123 C THR A 105 -2.272 -10.068 -1.584 1.00 31.43 C ATOM 1124 O THR A 105 -1.986 -10.857 -0.685 1.00 62.21 O ATOM 1125 CB THR A 105 -4.100 -11.360 -2.710 1.00 63.42 C ATOM 1126 OG1 THR A 105 -4.486 -12.051 -3.911 1.00 41.21 O ATOM 1127 CG2 THR A 105 -5.229 -10.423 -2.284 1.00 50.22 C ATOM 0 H THR A 105 -1.913 -12.412 -3.499 1.00 24.55 H new ATOM 0 HA THR A 105 -2.983 -9.738 -3.603 1.00 75.54 H new ATOM 0 HB THR A 105 -3.922 -12.082 -1.913 1.00 63.42 H new ATOM 0 HG1 THR A 105 -5.319 -12.542 -3.752 1.00 41.21 H new ATOM 0 HG21 THR A 105 -6.142 -10.999 -2.131 1.00 50.22 H new ATOM 0 HG22 THR A 105 -4.956 -9.923 -1.355 1.00 50.22 H new ATOM 0 HG23 THR A 105 -5.396 -9.678 -3.062 1.00 50.22 H new ATOM 1135 N GLY A 106 -2.174 -8.751 -1.444 1.00 22.12 N ATOM 1136 CA GLY A 106 -1.567 -8.163 -0.252 1.00 4.41 C ATOM 1137 C GLY A 106 -0.088 -7.852 -0.458 1.00 72.25 C ATOM 1138 O GLY A 106 0.672 -7.700 0.503 1.00 20.21 O ATOM 0 H GLY A 106 -2.503 -8.074 -2.133 1.00 22.12 H new ATOM 0 HA2 GLY A 106 -2.097 -7.247 0.010 1.00 4.41 H new ATOM 0 HA3 GLY A 106 -1.680 -8.848 0.588 1.00 4.41 H new ATOM 1142 N ASP A 107 0.314 -7.778 -1.723 1.00 31.51 N ATOM 1143 CA ASP A 107 1.690 -7.452 -2.103 1.00 73.53 C ATOM 1144 C ASP A 107 1.938 -5.937 -1.965 1.00 25.43 C ATOM 1145 O ASP A 107 0.992 -5.148 -1.947 1.00 73.13 O ATOM 1146 CB ASP A 107 1.921 -7.907 -3.551 1.00 12.43 C ATOM 1147 CG ASP A 107 3.385 -8.109 -3.882 1.00 24.52 C ATOM 1148 OD1 ASP A 107 4.126 -7.107 -3.943 1.00 22.03 O ATOM 1149 OD2 ASP A 107 3.795 -9.275 -4.069 1.00 12.40 O ATOM 0 H ASP A 107 -0.304 -7.942 -2.517 1.00 31.51 H new ATOM 0 HA ASP A 107 2.388 -7.967 -1.443 1.00 73.53 H new ATOM 0 HB2 ASP A 107 1.383 -8.839 -3.723 1.00 12.43 H new ATOM 0 HB3 ASP A 107 1.500 -7.166 -4.230 1.00 12.43 H new ATOM 1154 N LEU A 108 3.198 -5.519 -1.865 1.00 53.33 N ATOM 1155 CA LEU A 108 3.521 -4.094 -1.733 1.00 33.32 C ATOM 1156 C LEU A 108 4.281 -3.565 -2.958 1.00 32.35 C ATOM 1157 O LEU A 108 5.460 -3.866 -3.156 1.00 60.33 O ATOM 1158 CB LEU A 108 4.335 -3.837 -0.457 1.00 15.23 C ATOM 1159 CG LEU A 108 3.666 -4.283 0.854 1.00 34.01 C ATOM 1160 CD1 LEU A 108 4.430 -3.742 2.058 1.00 4.22 C ATOM 1161 CD2 LEU A 108 2.202 -3.849 0.894 1.00 32.42 C ATOM 0 H LEU A 108 4.008 -6.138 -1.872 1.00 53.33 H new ATOM 0 HA LEU A 108 2.576 -3.555 -1.667 1.00 33.32 H new ATOM 0 HB2 LEU A 108 5.293 -4.349 -0.548 1.00 15.23 H new ATOM 0 HB3 LEU A 108 4.548 -2.770 -0.391 1.00 15.23 H new ATOM 0 HG LEU A 108 3.692 -5.372 0.897 1.00 34.01 H new ATOM 0 HD11 LEU A 108 3.941 -4.068 2.976 1.00 4.22 H new ATOM 0 HD12 LEU A 108 5.453 -4.118 2.038 1.00 4.22 H new ATOM 0 HD13 LEU A 108 4.443 -2.653 2.021 1.00 4.22 H new ATOM 0 HD21 LEU A 108 1.751 -4.176 1.831 1.00 32.42 H new ATOM 0 HD22 LEU A 108 2.142 -2.763 0.822 1.00 32.42 H new ATOM 0 HD23 LEU A 108 1.666 -4.298 0.057 1.00 32.42 H new ATOM 1173 N VAL A 109 3.609 -2.737 -3.755 1.00 64.51 N ATOM 1174 CA VAL A 109 4.186 -2.206 -4.994 1.00 63.33 C ATOM 1175 C VAL A 109 4.813 -0.816 -4.786 1.00 60.12 C ATOM 1176 O VAL A 109 4.175 0.106 -4.278 1.00 25.04 O ATOM 1177 CB VAL A 109 3.126 -2.141 -6.128 1.00 13.42 C ATOM 1178 CG1 VAL A 109 2.759 -3.547 -6.598 1.00 43.40 C ATOM 1179 CG2 VAL A 109 1.873 -1.392 -5.665 1.00 23.45 C ATOM 0 H VAL A 109 2.659 -2.416 -3.566 1.00 64.51 H new ATOM 0 HA VAL A 109 4.977 -2.895 -5.290 1.00 63.33 H new ATOM 0 HB VAL A 109 3.561 -1.594 -6.965 1.00 13.42 H new ATOM 0 HG11 VAL A 109 2.015 -3.483 -7.392 1.00 43.40 H new ATOM 0 HG12 VAL A 109 3.650 -4.049 -6.975 1.00 43.40 H new ATOM 0 HG13 VAL A 109 2.349 -4.114 -5.763 1.00 43.40 H new ATOM 0 HG21 VAL A 109 1.147 -1.361 -6.477 1.00 23.45 H new ATOM 0 HG22 VAL A 109 1.437 -1.906 -4.808 1.00 23.45 H new ATOM 0 HG23 VAL A 109 2.142 -0.375 -5.379 1.00 23.45 H new ATOM 1189 N LEU A 110 6.082 -0.689 -5.175 1.00 41.02 N ATOM 1190 CA LEU A 110 6.837 0.562 -5.027 1.00 41.12 C ATOM 1191 C LEU A 110 6.853 1.372 -6.332 1.00 41.33 C ATOM 1192 O LEU A 110 7.022 0.812 -7.419 1.00 31.42 O ATOM 1193 CB LEU A 110 8.282 0.252 -4.609 1.00 41.44 C ATOM 1194 CG LEU A 110 8.437 -0.432 -3.241 1.00 11.05 C ATOM 1195 CD1 LEU A 110 9.870 -0.911 -3.042 1.00 13.24 C ATOM 1196 CD2 LEU A 110 8.018 0.512 -2.114 1.00 32.02 C ATOM 0 H LEU A 110 6.617 -1.446 -5.601 1.00 41.02 H new ATOM 0 HA LEU A 110 6.342 1.157 -4.260 1.00 41.12 H new ATOM 0 HB2 LEU A 110 8.734 -0.385 -5.369 1.00 41.44 H new ATOM 0 HB3 LEU A 110 8.847 1.184 -4.597 1.00 41.44 H new ATOM 0 HG LEU A 110 7.780 -1.301 -3.215 1.00 11.05 H new ATOM 0 HD11 LEU A 110 9.961 -1.393 -2.068 1.00 13.24 H new ATOM 0 HD12 LEU A 110 10.127 -1.624 -3.825 1.00 13.24 H new ATOM 0 HD13 LEU A 110 10.548 -0.059 -3.090 1.00 13.24 H new ATOM 0 HD21 LEU A 110 8.135 0.008 -1.155 1.00 32.02 H new ATOM 0 HD22 LEU A 110 8.644 1.404 -2.135 1.00 32.02 H new ATOM 0 HD23 LEU A 110 6.975 0.798 -2.248 1.00 32.02 H new ATOM 1208 N PHE A 111 6.699 2.688 -6.217 1.00 12.22 N ATOM 1209 CA PHE A 111 6.691 3.570 -7.388 1.00 21.43 C ATOM 1210 C PHE A 111 7.744 4.681 -7.276 1.00 11.11 C ATOM 1211 O PHE A 111 7.936 5.275 -6.212 1.00 31.14 O ATOM 1212 CB PHE A 111 5.301 4.190 -7.572 1.00 63.04 C ATOM 1213 CG PHE A 111 4.213 3.168 -7.766 1.00 73.23 C ATOM 1214 CD1 PHE A 111 4.014 2.575 -9.004 1.00 30.12 C ATOM 1215 CD2 PHE A 111 3.390 2.798 -6.712 1.00 3.22 C ATOM 1216 CE1 PHE A 111 3.021 1.636 -9.187 1.00 54.45 C ATOM 1217 CE2 PHE A 111 2.395 1.860 -6.890 1.00 32.12 C ATOM 1218 CZ PHE A 111 2.209 1.278 -8.131 1.00 35.33 C ATOM 0 H PHE A 111 6.578 3.170 -5.327 1.00 12.22 H new ATOM 0 HA PHE A 111 6.940 2.961 -8.257 1.00 21.43 H new ATOM 0 HB2 PHE A 111 5.065 4.800 -6.700 1.00 63.04 H new ATOM 0 HB3 PHE A 111 5.320 4.858 -8.433 1.00 63.04 H new ATOM 0 HD1 PHE A 111 4.645 2.852 -9.835 1.00 30.12 H new ATOM 0 HD2 PHE A 111 3.530 3.250 -5.741 1.00 3.22 H new ATOM 0 HE1 PHE A 111 2.879 1.181 -10.156 1.00 54.45 H new ATOM 0 HE2 PHE A 111 1.762 1.580 -6.061 1.00 32.12 H new ATOM 0 HZ PHE A 111 1.429 0.544 -8.273 1.00 35.33 H new ATOM 1228 N ARG A 112 8.431 4.948 -8.386 1.00 3.00 N ATOM 1229 CA ARG A 112 9.372 6.068 -8.471 1.00 41.33 C ATOM 1230 C ARG A 112 8.616 7.404 -8.524 1.00 13.22 C ATOM 1231 O ARG A 112 8.365 7.944 -9.604 1.00 11.41 O ATOM 1232 CB ARG A 112 10.250 5.931 -9.722 1.00 21.52 C ATOM 1233 CG ARG A 112 11.219 4.755 -9.694 1.00 24.13 C ATOM 1234 CD ARG A 112 11.905 4.561 -11.044 1.00 70.24 C ATOM 1235 NE ARG A 112 12.416 5.819 -11.596 1.00 22.31 N ATOM 1236 CZ ARG A 112 13.681 6.101 -11.751 1.00 53.11 C ATOM 1237 NH1 ARG A 112 14.598 5.275 -11.362 1.00 74.13 N ATOM 1238 NH2 ARG A 112 14.027 7.221 -12.298 1.00 14.31 N ATOM 0 H ARG A 112 8.354 4.402 -9.244 1.00 3.00 H new ATOM 0 HA ARG A 112 10.003 6.050 -7.582 1.00 41.33 H new ATOM 0 HB2 ARG A 112 9.604 5.831 -10.594 1.00 21.52 H new ATOM 0 HB3 ARG A 112 10.820 6.851 -9.852 1.00 21.52 H new ATOM 0 HG2 ARG A 112 11.972 4.921 -8.923 1.00 24.13 H new ATOM 0 HG3 ARG A 112 10.681 3.846 -9.424 1.00 24.13 H new ATOM 0 HD2 ARG A 112 12.728 3.855 -10.932 1.00 70.24 H new ATOM 0 HD3 ARG A 112 11.199 4.119 -11.747 1.00 70.24 H new ATOM 0 HE ARG A 112 11.735 6.524 -11.879 1.00 22.31 H new ATOM 0 HH11 ARG A 112 14.336 4.390 -10.928 1.00 74.13 H new ATOM 0 HH12 ARG A 112 15.583 5.509 -11.490 1.00 74.13 H new ATOM 0 HH21 ARG A 112 13.312 7.880 -12.606 1.00 14.31 H new ATOM 0 HH22 ARG A 112 15.014 7.445 -12.421 1.00 14.31 H new ATOM 1252 N ALA A 113 8.245 7.926 -7.362 1.00 41.44 N ATOM 1253 CA ALA A 113 7.418 9.135 -7.293 1.00 22.02 C ATOM 1254 C ALA A 113 8.260 10.413 -7.168 1.00 23.21 C ATOM 1255 O ALA A 113 9.273 10.441 -6.467 1.00 45.11 O ATOM 1256 CB ALA A 113 6.444 9.027 -6.123 1.00 14.12 C ATOM 0 H ALA A 113 8.500 7.537 -6.454 1.00 41.44 H new ATOM 0 HA ALA A 113 6.864 9.209 -8.229 1.00 22.02 H new ATOM 0 HB1 ALA A 113 5.831 9.927 -6.075 1.00 14.12 H new ATOM 0 HB2 ALA A 113 5.801 8.158 -6.264 1.00 14.12 H new ATOM 0 HB3 ALA A 113 7.003 8.919 -5.193 1.00 14.12 H new ATOM 1301 N ARG A 118 9.788 7.982 -2.447 1.00 21.11 N ATOM 1302 CA ARG A 118 9.309 6.597 -2.492 1.00 65.52 C ATOM 1303 C ARG A 118 7.819 6.496 -2.140 1.00 41.11 C ATOM 1304 O ARG A 118 7.399 6.897 -1.051 1.00 74.03 O ATOM 1305 CB ARG A 118 10.116 5.726 -1.522 1.00 64.15 C ATOM 1306 CG ARG A 118 11.595 5.581 -1.866 1.00 4.11 C ATOM 1307 CD ARG A 118 11.818 4.837 -3.182 1.00 13.14 C ATOM 1308 NE ARG A 118 11.901 5.730 -4.337 1.00 60.04 N ATOM 1309 CZ ARG A 118 12.357 5.360 -5.504 1.00 1.14 C ATOM 1310 NH1 ARG A 118 12.709 4.126 -5.707 1.00 42.32 N ATOM 1311 NH2 ARG A 118 12.450 6.217 -6.469 1.00 30.22 N ATOM 0 HA ARG A 118 9.444 6.241 -3.513 1.00 65.52 H new ATOM 0 HB2 ARG A 118 10.031 6.148 -0.521 1.00 64.15 H new ATOM 0 HB3 ARG A 118 9.667 4.733 -1.489 1.00 64.15 H new ATOM 0 HG2 ARG A 118 12.049 6.570 -1.930 1.00 4.11 H new ATOM 0 HG3 ARG A 118 12.102 5.049 -1.061 1.00 4.11 H new ATOM 0 HD2 ARG A 118 12.737 4.255 -3.113 1.00 13.14 H new ATOM 0 HD3 ARG A 118 11.004 4.129 -3.335 1.00 13.14 H new ATOM 0 HE ARG A 118 11.586 6.694 -4.225 1.00 60.04 H new ATOM 0 HH11 ARG A 118 12.630 3.443 -4.954 1.00 42.32 H new ATOM 0 HH12 ARG A 118 13.065 3.841 -6.619 1.00 42.32 H new ATOM 0 HH21 ARG A 118 12.167 7.186 -6.320 1.00 30.22 H new ATOM 0 HH22 ARG A 118 12.807 5.924 -7.379 1.00 30.22 H new ATOM 1325 N HIS A 119 7.030 5.943 -3.058 1.00 13.01 N ATOM 1326 CA HIS A 119 5.603 5.702 -2.820 1.00 34.11 C ATOM 1327 C HIS A 119 5.310 4.191 -2.835 1.00 63.32 C ATOM 1328 O HIS A 119 5.983 3.432 -3.535 1.00 3.11 O ATOM 1329 CB HIS A 119 4.769 6.423 -3.886 1.00 13.35 C ATOM 1330 CG HIS A 119 3.310 6.504 -3.557 1.00 44.03 C ATOM 1331 ND1 HIS A 119 2.813 7.527 -2.788 1.00 72.44 N ATOM 1332 CD2 HIS A 119 2.294 5.678 -3.902 1.00 23.42 C ATOM 1333 CE1 HIS A 119 1.521 7.305 -2.679 1.00 30.23 C ATOM 1334 NE2 HIS A 119 1.160 6.197 -3.339 1.00 15.32 N ATOM 0 H HIS A 119 7.354 5.651 -3.980 1.00 13.01 H new ATOM 0 HA HIS A 119 5.333 6.095 -1.840 1.00 34.11 H new ATOM 0 HB2 HIS A 119 5.159 7.432 -4.018 1.00 13.35 H new ATOM 0 HB3 HIS A 119 4.889 5.907 -4.839 1.00 13.35 H new ATOM 0 HD2 HIS A 119 2.365 4.784 -4.504 1.00 23.42 H new ATOM 0 HE1 HIS A 119 0.839 7.935 -2.128 1.00 30.23 H new ATOM 0 HE2 HIS A 119 0.218 5.813 -3.409 1.00 15.32 H new ATOM 1342 N VAL A 120 4.312 3.755 -2.063 1.00 54.12 N ATOM 1343 CA VAL A 120 3.976 2.325 -1.968 1.00 43.31 C ATOM 1344 C VAL A 120 2.458 2.092 -1.844 1.00 11.23 C ATOM 1345 O VAL A 120 1.770 2.767 -1.076 1.00 71.32 O ATOM 1346 CB VAL A 120 4.702 1.652 -0.771 1.00 52.13 C ATOM 1347 CG1 VAL A 120 4.307 2.305 0.554 1.00 71.42 C ATOM 1348 CG2 VAL A 120 4.428 0.145 -0.739 1.00 22.23 C ATOM 0 H VAL A 120 3.723 4.365 -1.496 1.00 54.12 H new ATOM 0 HA VAL A 120 4.318 1.868 -2.897 1.00 43.31 H new ATOM 0 HB VAL A 120 5.773 1.798 -0.909 1.00 52.13 H new ATOM 0 HG11 VAL A 120 4.831 1.812 1.373 1.00 71.42 H new ATOM 0 HG12 VAL A 120 4.576 3.361 0.534 1.00 71.42 H new ATOM 0 HG13 VAL A 120 3.231 2.208 0.701 1.00 71.42 H new ATOM 0 HG21 VAL A 120 4.948 -0.301 0.109 1.00 22.23 H new ATOM 0 HG22 VAL A 120 3.356 -0.028 -0.639 1.00 22.23 H new ATOM 0 HG23 VAL A 120 4.784 -0.309 -1.664 1.00 22.23 H new ATOM 1358 N GLY A 121 1.949 1.122 -2.603 1.00 14.05 N ATOM 1359 CA GLY A 121 0.528 0.785 -2.549 1.00 44.41 C ATOM 1360 C GLY A 121 0.269 -0.682 -2.207 1.00 72.13 C ATOM 1361 O GLY A 121 1.064 -1.561 -2.555 1.00 63.22 O ATOM 0 H GLY A 121 2.494 0.560 -3.257 1.00 14.05 H new ATOM 0 HA2 GLY A 121 0.040 1.416 -1.806 1.00 44.41 H new ATOM 0 HA3 GLY A 121 0.070 1.013 -3.512 1.00 44.41 H new ATOM 1365 N ILE A 122 -0.843 -0.947 -1.527 1.00 24.22 N ATOM 1366 CA ILE A 122 -1.230 -2.313 -1.162 1.00 40.40 C ATOM 1367 C ILE A 122 -1.937 -3.010 -2.332 1.00 4.25 C ATOM 1368 O ILE A 122 -3.087 -2.694 -2.655 1.00 65.33 O ATOM 1369 CB ILE A 122 -2.163 -2.329 0.072 1.00 11.04 C ATOM 1370 CG1 ILE A 122 -1.570 -1.494 1.217 1.00 72.23 C ATOM 1371 CG2 ILE A 122 -2.411 -3.766 0.529 1.00 1.31 C ATOM 1372 CD1 ILE A 122 -2.468 -1.401 2.435 1.00 40.01 C ATOM 0 H ILE A 122 -1.498 -0.231 -1.214 1.00 24.22 H new ATOM 0 HA ILE A 122 -0.313 -2.849 -0.917 1.00 40.40 H new ATOM 0 HB ILE A 122 -3.116 -1.883 -0.213 1.00 11.04 H new ATOM 0 HG12 ILE A 122 -0.615 -1.928 1.514 1.00 72.23 H new ATOM 0 HG13 ILE A 122 -1.364 -0.488 0.852 1.00 72.23 H new ATOM 0 HG21 ILE A 122 -3.069 -3.763 1.398 1.00 1.31 H new ATOM 0 HG22 ILE A 122 -2.879 -4.329 -0.279 1.00 1.31 H new ATOM 0 HG23 ILE A 122 -1.462 -4.232 0.794 1.00 1.31 H new ATOM 0 HD11 ILE A 122 -1.982 -0.796 3.200 1.00 40.01 H new ATOM 0 HD12 ILE A 122 -3.415 -0.939 2.155 1.00 40.01 H new ATOM 0 HD13 ILE A 122 -2.654 -2.401 2.827 1.00 40.01 H new ATOM 1384 N TYR A 123 -1.245 -3.953 -2.953 1.00 53.42 N ATOM 1385 CA TYR A 123 -1.741 -4.649 -4.143 1.00 10.22 C ATOM 1386 C TYR A 123 -2.902 -5.600 -3.801 1.00 71.30 C ATOM 1387 O TYR A 123 -2.692 -6.675 -3.238 1.00 44.00 O ATOM 1388 CB TYR A 123 -0.581 -5.421 -4.792 1.00 45.14 C ATOM 1389 CG TYR A 123 -0.662 -5.504 -6.299 1.00 4.32 C ATOM 1390 CD1 TYR A 123 -0.708 -4.345 -7.062 1.00 73.24 C ATOM 1391 CD2 TYR A 123 -0.677 -6.726 -6.959 1.00 62.22 C ATOM 1392 CE1 TYR A 123 -0.768 -4.397 -8.435 1.00 22.14 C ATOM 1393 CE2 TYR A 123 -0.732 -6.786 -8.337 1.00 15.31 C ATOM 1394 CZ TYR A 123 -0.777 -5.617 -9.068 1.00 35.11 C ATOM 1395 OH TYR A 123 -0.827 -5.669 -10.444 1.00 43.40 O ATOM 0 H TYR A 123 -0.321 -4.262 -2.650 1.00 53.42 H new ATOM 0 HA TYR A 123 -2.129 -3.910 -4.844 1.00 10.22 H new ATOM 0 HB2 TYR A 123 0.359 -4.944 -4.515 1.00 45.14 H new ATOM 0 HB3 TYR A 123 -0.558 -6.431 -4.384 1.00 45.14 H new ATOM 0 HD1 TYR A 123 -0.696 -3.385 -6.568 1.00 73.24 H new ATOM 0 HD2 TYR A 123 -0.645 -7.641 -6.387 1.00 62.22 H new ATOM 0 HE1 TYR A 123 -0.808 -3.485 -9.012 1.00 22.14 H new ATOM 0 HE2 TYR A 123 -0.740 -7.742 -8.840 1.00 15.31 H new ATOM 0 HH TYR A 123 -1.610 -6.188 -10.724 1.00 43.40 H new ATOM 1405 N ILE A 124 -4.128 -5.195 -4.137 1.00 51.44 N ATOM 1406 CA ILE A 124 -5.330 -5.973 -3.790 1.00 11.32 C ATOM 1407 C ILE A 124 -5.887 -6.772 -4.983 1.00 71.32 C ATOM 1408 O ILE A 124 -6.681 -7.700 -4.801 1.00 3.24 O ATOM 1409 CB ILE A 124 -6.451 -5.056 -3.234 1.00 61.55 C ATOM 1410 CG1 ILE A 124 -6.868 -4.009 -4.285 1.00 34.44 C ATOM 1411 CG2 ILE A 124 -5.993 -4.377 -1.941 1.00 44.13 C ATOM 1412 CD1 ILE A 124 -8.015 -3.121 -3.852 1.00 2.35 C ATOM 0 H ILE A 124 -4.320 -4.334 -4.649 1.00 51.44 H new ATOM 0 HA ILE A 124 -5.014 -6.680 -3.023 1.00 11.32 H new ATOM 0 HB ILE A 124 -7.321 -5.672 -3.007 1.00 61.55 H new ATOM 0 HG12 ILE A 124 -6.007 -3.383 -4.520 1.00 34.44 H new ATOM 0 HG13 ILE A 124 -7.148 -4.524 -5.204 1.00 34.44 H new ATOM 0 HG21 ILE A 124 -6.791 -3.737 -1.564 1.00 44.13 H new ATOM 0 HG22 ILE A 124 -5.754 -5.136 -1.196 1.00 44.13 H new ATOM 0 HG23 ILE A 124 -5.108 -3.773 -2.141 1.00 44.13 H new ATOM 0 HD11 ILE A 124 -8.247 -2.412 -4.647 1.00 2.35 H new ATOM 0 HD12 ILE A 124 -8.892 -3.734 -3.645 1.00 2.35 H new ATOM 0 HD13 ILE A 124 -7.733 -2.576 -2.951 1.00 2.35 H new ATOM 1424 N GLY A 125 -5.479 -6.413 -6.197 1.00 24.40 N ATOM 1425 CA GLY A 125 -5.994 -7.091 -7.383 1.00 42.41 C ATOM 1426 C GLY A 125 -4.998 -7.159 -8.538 1.00 23.41 C ATOM 1427 O GLY A 125 -3.824 -6.835 -8.379 1.00 44.45 O ATOM 0 H GLY A 125 -4.806 -5.670 -6.384 1.00 24.40 H new ATOM 0 HA2 GLY A 125 -6.289 -8.104 -7.111 1.00 42.41 H new ATOM 0 HA3 GLY A 125 -6.894 -6.577 -7.722 1.00 42.41 H new ATOM 1431 N ASN A 126 -5.482 -7.586 -9.706 1.00 11.25 N ATOM 1432 CA ASN A 126 -4.648 -7.715 -10.913 1.00 13.22 C ATOM 1433 C ASN A 126 -3.995 -6.377 -11.305 1.00 73.02 C ATOM 1434 O ASN A 126 -2.883 -6.347 -11.845 1.00 34.31 O ATOM 1435 CB ASN A 126 -5.502 -8.238 -12.078 1.00 61.15 C ATOM 1436 CG ASN A 126 -4.692 -8.486 -13.339 1.00 62.33 C ATOM 1437 OD1 ASN A 126 -4.534 -7.606 -14.178 1.00 53.54 O ATOM 1438 ND2 ASN A 126 -4.177 -9.688 -13.485 1.00 2.31 N ATOM 0 H ASN A 126 -6.457 -7.852 -9.847 1.00 11.25 H new ATOM 0 HA ASN A 126 -3.848 -8.421 -10.691 1.00 13.22 H new ATOM 0 HB2 ASN A 126 -5.990 -9.165 -11.777 1.00 61.15 H new ATOM 0 HB3 ASN A 126 -6.292 -7.519 -12.295 1.00 61.15 H new ATOM 0 HD21 ASN A 126 -3.628 -9.910 -14.315 1.00 2.31 H new ATOM 0 HD22 ASN A 126 -4.327 -10.398 -12.768 1.00 2.31 H new ATOM 1445 N ASN A 127 -4.700 -5.277 -11.039 1.00 12.35 N ATOM 1446 CA ASN A 127 -4.218 -3.928 -11.376 1.00 5.30 C ATOM 1447 C ASN A 127 -4.482 -2.918 -10.245 1.00 12.25 C ATOM 1448 O ASN A 127 -3.768 -1.928 -10.120 1.00 71.42 O ATOM 1449 CB ASN A 127 -4.884 -3.437 -12.671 1.00 61.11 C ATOM 1450 CG ASN A 127 -4.508 -4.266 -13.891 1.00 63.32 C ATOM 1451 OD1 ASN A 127 -5.318 -4.480 -14.789 1.00 62.31 O ATOM 1452 ND2 ASN A 127 -3.273 -4.724 -13.947 1.00 74.24 N ATOM 0 H ASN A 127 -5.615 -5.290 -10.588 1.00 12.35 H new ATOM 0 HA ASN A 127 -3.139 -3.996 -11.516 1.00 5.30 H new ATOM 0 HB2 ASN A 127 -5.967 -3.458 -12.545 1.00 61.11 H new ATOM 0 HB3 ASN A 127 -4.603 -2.398 -12.845 1.00 61.11 H new ATOM 0 HD21 ASN A 127 -2.968 -5.272 -14.751 1.00 74.24 H new ATOM 0 HD22 ASN A 127 -2.622 -4.530 -13.186 1.00 74.24 H new ATOM 1459 N GLN A 128 -5.503 -3.165 -9.428 1.00 70.24 N ATOM 1460 CA GLN A 128 -5.902 -2.210 -8.382 1.00 11.32 C ATOM 1461 C GLN A 128 -5.100 -2.375 -7.078 1.00 60.54 C ATOM 1462 O GLN A 128 -4.807 -3.491 -6.639 1.00 74.31 O ATOM 1463 CB GLN A 128 -7.400 -2.347 -8.084 1.00 43.55 C ATOM 1464 CG GLN A 128 -8.296 -1.903 -9.236 1.00 71.13 C ATOM 1465 CD GLN A 128 -9.780 -2.050 -8.936 1.00 42.13 C ATOM 1466 OE1 GLN A 128 -10.587 -2.274 -9.834 1.00 12.02 O ATOM 1467 NE2 GLN A 128 -10.158 -1.927 -7.676 1.00 63.20 N ATOM 0 H GLN A 128 -6.070 -4.012 -9.465 1.00 70.24 H new ATOM 0 HA GLN A 128 -5.685 -1.215 -8.771 1.00 11.32 H new ATOM 0 HB2 GLN A 128 -7.620 -3.387 -7.844 1.00 43.55 H new ATOM 0 HB3 GLN A 128 -7.641 -1.758 -7.199 1.00 43.55 H new ATOM 0 HG2 GLN A 128 -8.082 -0.861 -9.473 1.00 71.13 H new ATOM 0 HG3 GLN A 128 -8.052 -2.488 -10.123 1.00 71.13 H new ATOM 0 HE21 GLN A 128 -9.465 -1.741 -6.951 1.00 63.20 H new ATOM 0 HE22 GLN A 128 -11.143 -2.018 -7.428 1.00 63.20 H new ATOM 1476 N PHE A 129 -4.767 -1.241 -6.463 1.00 12.23 N ATOM 1477 CA PHE A 129 -4.050 -1.209 -5.183 1.00 71.31 C ATOM 1478 C PHE A 129 -4.461 0.021 -4.351 1.00 65.11 C ATOM 1479 O PHE A 129 -4.704 1.098 -4.896 1.00 22.42 O ATOM 1480 CB PHE A 129 -2.528 -1.214 -5.422 1.00 72.12 C ATOM 1481 CG PHE A 129 -2.063 -0.209 -6.446 1.00 24.43 C ATOM 1482 CD1 PHE A 129 -2.034 -0.543 -7.792 1.00 2.14 C ATOM 1483 CD2 PHE A 129 -1.655 1.064 -6.068 1.00 13.12 C ATOM 1484 CE1 PHE A 129 -1.613 0.365 -8.739 1.00 2.53 C ATOM 1485 CE2 PHE A 129 -1.231 1.980 -7.014 1.00 14.42 C ATOM 1486 CZ PHE A 129 -1.210 1.630 -8.352 1.00 44.42 C ATOM 0 H PHE A 129 -4.985 -0.317 -6.836 1.00 12.23 H new ATOM 0 HA PHE A 129 -4.319 -2.103 -4.620 1.00 71.31 H new ATOM 0 HB2 PHE A 129 -2.022 -1.015 -4.477 1.00 72.12 H new ATOM 0 HB3 PHE A 129 -2.224 -2.211 -5.743 1.00 72.12 H new ATOM 0 HD1 PHE A 129 -2.346 -1.529 -8.102 1.00 2.14 H new ATOM 0 HD2 PHE A 129 -1.669 1.342 -5.024 1.00 13.12 H new ATOM 0 HE1 PHE A 129 -1.598 0.089 -9.783 1.00 2.53 H new ATOM 0 HE2 PHE A 129 -0.917 2.967 -6.708 1.00 14.42 H new ATOM 0 HZ PHE A 129 -0.880 2.343 -9.093 1.00 44.42 H new ATOM 1496 N VAL A 130 -4.553 -0.149 -3.031 1.00 53.43 N ATOM 1497 CA VAL A 130 -4.958 0.944 -2.133 1.00 21.43 C ATOM 1498 C VAL A 130 -3.742 1.597 -1.453 1.00 40.02 C ATOM 1499 O VAL A 130 -2.826 0.912 -1.001 1.00 64.53 O ATOM 1500 CB VAL A 130 -5.964 0.447 -1.059 1.00 2.14 C ATOM 1501 CG1 VAL A 130 -5.370 -0.685 -0.225 1.00 75.20 C ATOM 1502 CG2 VAL A 130 -6.421 1.595 -0.160 1.00 55.14 C ATOM 0 H VAL A 130 -4.354 -1.030 -2.557 1.00 53.43 H new ATOM 0 HA VAL A 130 -5.450 1.696 -2.749 1.00 21.43 H new ATOM 0 HB VAL A 130 -6.837 0.057 -1.583 1.00 2.14 H new ATOM 0 HG11 VAL A 130 -6.098 -1.011 0.518 1.00 75.20 H new ATOM 0 HG12 VAL A 130 -5.116 -1.522 -0.876 1.00 75.20 H new ATOM 0 HG13 VAL A 130 -4.471 -0.332 0.280 1.00 75.20 H new ATOM 0 HG21 VAL A 130 -7.125 1.218 0.582 1.00 55.14 H new ATOM 0 HG22 VAL A 130 -5.557 2.027 0.345 1.00 55.14 H new ATOM 0 HG23 VAL A 130 -6.908 2.360 -0.765 1.00 55.14 H new ATOM 1512 N HIS A 131 -3.742 2.928 -1.381 1.00 34.43 N ATOM 1513 CA HIS A 131 -2.594 3.680 -0.854 1.00 34.24 C ATOM 1514 C HIS A 131 -3.013 5.061 -0.323 1.00 62.12 C ATOM 1515 O HIS A 131 -4.096 5.556 -0.631 1.00 23.22 O ATOM 1516 CB HIS A 131 -1.547 3.858 -1.957 1.00 12.22 C ATOM 1517 CG HIS A 131 -2.047 4.659 -3.123 1.00 64.11 C ATOM 1518 ND1 HIS A 131 -1.571 5.920 -3.384 1.00 33.11 N ATOM 1519 CD2 HIS A 131 -2.977 4.340 -4.056 1.00 0.13 C ATOM 1520 CE1 HIS A 131 -2.215 6.339 -4.455 1.00 31.51 C ATOM 1521 NE2 HIS A 131 -3.076 5.416 -4.898 1.00 52.24 N ATOM 0 H HIS A 131 -4.523 3.512 -1.680 1.00 34.43 H new ATOM 0 HA HIS A 131 -2.176 3.111 -0.024 1.00 34.24 H new ATOM 0 HB2 HIS A 131 -0.668 4.348 -1.539 1.00 12.22 H new ATOM 0 HB3 HIS A 131 -1.229 2.877 -2.309 1.00 12.22 H new ATOM 0 HD2 HIS A 131 -3.533 3.416 -4.123 1.00 0.13 H new ATOM 0 HE1 HIS A 131 -2.067 7.304 -4.916 1.00 31.51 H new ATOM 0 HE2 HIS A 131 -3.690 5.498 -5.709 1.00 52.24 H new ATOM 1529 N ALA A 132 -2.144 5.684 0.472 1.00 31.23 N ATOM 1530 CA ALA A 132 -2.382 7.048 0.954 1.00 13.14 C ATOM 1531 C ALA A 132 -1.697 8.077 0.042 1.00 55.32 C ATOM 1532 O ALA A 132 -0.497 8.325 0.155 1.00 61.42 O ATOM 1533 CB ALA A 132 -1.900 7.201 2.393 1.00 55.11 C ATOM 0 H ALA A 132 -1.270 5.269 0.796 1.00 31.23 H new ATOM 0 HA ALA A 132 -3.456 7.234 0.930 1.00 13.14 H new ATOM 0 HB1 ALA A 132 -2.085 8.220 2.732 1.00 55.11 H new ATOM 0 HB2 ALA A 132 -2.438 6.502 3.033 1.00 55.11 H new ATOM 0 HB3 ALA A 132 -0.832 6.991 2.443 1.00 55.11 H new ATOM 1539 N SER A 133 -2.467 8.658 -0.878 1.00 72.31 N ATOM 1540 CA SER A 133 -1.932 9.633 -1.839 1.00 3.31 C ATOM 1541 C SER A 133 -1.826 11.034 -1.226 1.00 63.12 C ATOM 1542 O SER A 133 -2.692 11.463 -0.462 1.00 72.34 O ATOM 1543 CB SER A 133 -2.810 9.701 -3.100 1.00 64.03 C ATOM 1544 OG SER A 133 -4.072 10.299 -2.830 1.00 63.12 O ATOM 0 H SER A 133 -3.465 8.473 -0.981 1.00 72.31 H new ATOM 0 HA SER A 133 -0.932 9.293 -2.109 1.00 3.31 H new ATOM 0 HB2 SER A 133 -2.294 10.272 -3.872 1.00 64.03 H new ATOM 0 HB3 SER A 133 -2.960 8.696 -3.494 1.00 64.03 H new ATOM 0 HG SER A 133 -4.494 9.844 -2.072 1.00 63.12 H new ATOM 1550 N THR A 134 -0.763 11.749 -1.576 1.00 43.25 N ATOM 1551 CA THR A 134 -0.552 13.127 -1.105 1.00 54.21 C ATOM 1552 C THR A 134 -1.563 14.112 -1.720 1.00 72.44 C ATOM 1553 O THR A 134 -1.619 15.277 -1.333 1.00 51.14 O ATOM 1554 CB THR A 134 0.893 13.597 -1.414 1.00 41.24 C ATOM 1555 OG1 THR A 134 1.083 14.988 -1.086 1.00 24.52 O ATOM 1556 CG2 THR A 134 1.231 13.358 -2.879 1.00 65.50 C ATOM 0 H THR A 134 -0.025 11.401 -2.188 1.00 43.25 H new ATOM 0 HA THR A 134 -0.707 13.120 -0.026 1.00 54.21 H new ATOM 0 HB THR A 134 1.566 13.009 -0.790 1.00 41.24 H new ATOM 0 HG1 THR A 134 0.211 15.413 -0.945 1.00 24.52 H new ATOM 0 HG21 THR A 134 2.249 13.694 -3.077 1.00 65.50 H new ATOM 0 HG22 THR A 134 1.150 12.294 -3.102 1.00 65.50 H new ATOM 0 HG23 THR A 134 0.536 13.915 -3.508 1.00 65.50 H new ATOM 1564 N SER A 135 -2.364 13.633 -2.671 1.00 40.33 N ATOM 1565 CA SER A 135 -3.364 14.475 -3.348 1.00 0.02 C ATOM 1566 C SER A 135 -4.781 14.235 -2.798 1.00 21.01 C ATOM 1567 O SER A 135 -5.429 15.157 -2.295 1.00 14.15 O ATOM 1568 CB SER A 135 -3.352 14.196 -4.856 1.00 34.21 C ATOM 1569 OG SER A 135 -3.668 12.837 -5.128 1.00 14.21 O ATOM 0 H SER A 135 -2.344 12.666 -2.994 1.00 40.33 H new ATOM 0 HA SER A 135 -3.097 15.515 -3.158 1.00 0.02 H new ATOM 0 HB2 SER A 135 -4.070 14.846 -5.355 1.00 34.21 H new ATOM 0 HB3 SER A 135 -2.370 14.433 -5.265 1.00 34.21 H new ATOM 0 HG SER A 135 -3.655 12.686 -6.096 1.00 14.21 H new ATOM 1575 N SER A 136 -5.261 12.996 -2.902 1.00 52.44 N ATOM 1576 CA SER A 136 -6.639 12.655 -2.500 1.00 3.42 C ATOM 1577 C SER A 136 -6.682 11.798 -1.225 1.00 22.24 C ATOM 1578 O SER A 136 -7.720 11.218 -0.894 1.00 53.24 O ATOM 1579 CB SER A 136 -7.354 11.908 -3.636 1.00 1.00 C ATOM 1580 OG SER A 136 -7.484 12.720 -4.796 1.00 33.52 O ATOM 0 H SER A 136 -4.722 12.208 -3.260 1.00 52.44 H new ATOM 0 HA SER A 136 -7.149 13.595 -2.289 1.00 3.42 H new ATOM 0 HB2 SER A 136 -6.798 11.004 -3.884 1.00 1.00 H new ATOM 0 HB3 SER A 136 -8.342 11.592 -3.300 1.00 1.00 H new ATOM 0 HG SER A 136 -7.941 12.214 -5.500 1.00 33.52 H new ATOM 1586 N GLY A 137 -5.562 11.719 -0.513 1.00 60.33 N ATOM 1587 CA GLY A 137 -5.496 10.905 0.696 1.00 33.10 C ATOM 1588 C GLY A 137 -5.577 9.409 0.409 1.00 14.12 C ATOM 1589 O GLY A 137 -5.189 8.951 -0.669 1.00 54.13 O ATOM 0 H GLY A 137 -4.696 12.203 -0.749 1.00 60.33 H new ATOM 0 HA2 GLY A 137 -4.566 11.119 1.222 1.00 33.10 H new ATOM 0 HA3 GLY A 137 -6.311 11.187 1.363 1.00 33.10 H new ATOM 1593 N VAL A 138 -6.079 8.642 1.370 1.00 34.34 N ATOM 1594 CA VAL A 138 -6.217 7.190 1.206 1.00 64.02 C ATOM 1595 C VAL A 138 -7.224 6.833 0.092 1.00 13.20 C ATOM 1596 O VAL A 138 -8.436 6.977 0.268 1.00 52.45 O ATOM 1597 CB VAL A 138 -6.652 6.520 2.531 1.00 33.14 C ATOM 1598 CG1 VAL A 138 -6.744 5.004 2.374 1.00 63.31 C ATOM 1599 CG2 VAL A 138 -5.695 6.894 3.664 1.00 44.53 C ATOM 0 H VAL A 138 -6.398 8.996 2.272 1.00 34.34 H new ATOM 0 HA VAL A 138 -5.237 6.811 0.918 1.00 64.02 H new ATOM 0 HB VAL A 138 -7.645 6.890 2.787 1.00 33.14 H new ATOM 0 HG11 VAL A 138 -7.052 4.558 3.320 1.00 63.31 H new ATOM 0 HG12 VAL A 138 -7.476 4.762 1.604 1.00 63.31 H new ATOM 0 HG13 VAL A 138 -5.770 4.608 2.086 1.00 63.31 H new ATOM 0 HG21 VAL A 138 -6.018 6.413 4.587 1.00 44.53 H new ATOM 0 HG22 VAL A 138 -4.688 6.561 3.414 1.00 44.53 H new ATOM 0 HG23 VAL A 138 -5.696 7.976 3.799 1.00 44.53 H new ATOM 1609 N ILE A 139 -6.703 6.378 -1.053 1.00 54.35 N ATOM 1610 CA ILE A 139 -7.531 6.014 -2.220 1.00 11.22 C ATOM 1611 C ILE A 139 -7.056 4.697 -2.868 1.00 54.34 C ATOM 1612 O ILE A 139 -6.148 4.035 -2.369 1.00 5.24 O ATOM 1613 CB ILE A 139 -7.503 7.126 -3.305 1.00 43.23 C ATOM 1614 CG1 ILE A 139 -6.062 7.371 -3.794 1.00 34.42 C ATOM 1615 CG2 ILE A 139 -8.125 8.417 -2.777 1.00 55.05 C ATOM 1616 CD1 ILE A 139 -5.954 8.398 -4.906 1.00 21.33 C ATOM 0 H ILE A 139 -5.702 6.250 -1.202 1.00 54.35 H new ATOM 0 HA ILE A 139 -8.547 5.890 -1.844 1.00 11.22 H new ATOM 0 HB ILE A 139 -8.098 6.789 -4.154 1.00 43.23 H new ATOM 0 HG12 ILE A 139 -5.454 7.698 -2.951 1.00 34.42 H new ATOM 0 HG13 ILE A 139 -5.642 6.427 -4.143 1.00 34.42 H new ATOM 0 HG21 ILE A 139 -8.094 9.180 -3.554 1.00 55.05 H new ATOM 0 HG22 ILE A 139 -9.161 8.232 -2.492 1.00 55.05 H new ATOM 0 HG23 ILE A 139 -7.565 8.762 -1.908 1.00 55.05 H new ATOM 0 HD11 ILE A 139 -4.909 8.514 -5.194 1.00 21.33 H new ATOM 0 HD12 ILE A 139 -6.533 8.064 -5.767 1.00 21.33 H new ATOM 0 HD13 ILE A 139 -6.342 9.355 -4.557 1.00 21.33 H new ATOM 1628 N ILE A 140 -7.682 4.326 -3.989 1.00 13.43 N ATOM 1629 CA ILE A 140 -7.283 3.132 -4.755 1.00 52.12 C ATOM 1630 C ILE A 140 -6.921 3.503 -6.204 1.00 61.43 C ATOM 1631 O ILE A 140 -7.693 4.178 -6.892 1.00 72.54 O ATOM 1632 CB ILE A 140 -8.414 2.066 -4.774 1.00 44.30 C ATOM 1633 CG1 ILE A 140 -8.801 1.667 -3.338 1.00 31.34 C ATOM 1634 CG2 ILE A 140 -7.987 0.834 -5.575 1.00 72.54 C ATOM 1635 CD1 ILE A 140 -9.926 0.654 -3.266 1.00 1.21 C ATOM 0 H ILE A 140 -8.470 4.834 -4.390 1.00 13.43 H new ATOM 0 HA ILE A 140 -6.408 2.713 -4.258 1.00 52.12 H new ATOM 0 HB ILE A 140 -9.286 2.503 -5.260 1.00 44.30 H new ATOM 0 HG12 ILE A 140 -7.924 1.258 -2.836 1.00 31.34 H new ATOM 0 HG13 ILE A 140 -9.095 2.562 -2.789 1.00 31.34 H new ATOM 0 HG21 ILE A 140 -8.794 0.102 -5.574 1.00 72.54 H new ATOM 0 HG22 ILE A 140 -7.763 1.127 -6.601 1.00 72.54 H new ATOM 0 HG23 ILE A 140 -7.099 0.395 -5.121 1.00 72.54 H new ATOM 0 HD11 ILE A 140 -10.141 0.423 -2.223 1.00 1.21 H new ATOM 0 HD12 ILE A 140 -10.818 1.066 -3.738 1.00 1.21 H new ATOM 0 HD13 ILE A 140 -9.629 -0.257 -3.785 1.00 1.21 H new ATOM 1647 N SER A 141 -5.752 3.060 -6.667 1.00 71.20 N ATOM 1648 CA SER A 141 -5.305 3.330 -8.046 1.00 0.50 C ATOM 1649 C SER A 141 -5.110 2.035 -8.846 1.00 53.34 C ATOM 1650 O SER A 141 -5.226 0.932 -8.304 1.00 41.11 O ATOM 1651 CB SER A 141 -3.999 4.135 -8.049 1.00 23.23 C ATOM 1652 OG SER A 141 -4.173 5.410 -7.450 1.00 3.31 O ATOM 0 H SER A 141 -5.093 2.513 -6.113 1.00 71.20 H new ATOM 0 HA SER A 141 -6.091 3.914 -8.525 1.00 0.50 H new ATOM 0 HB2 SER A 141 -3.228 3.582 -7.513 1.00 23.23 H new ATOM 0 HB3 SER A 141 -3.648 4.258 -9.074 1.00 23.23 H new ATOM 0 HG SER A 141 -3.555 6.051 -7.859 1.00 3.31 H new ATOM 1658 N SER A 142 -4.817 2.174 -10.140 1.00 74.25 N ATOM 1659 CA SER A 142 -4.614 1.014 -11.025 1.00 62.41 C ATOM 1660 C SER A 142 -3.253 1.054 -11.735 1.00 52.53 C ATOM 1661 O SER A 142 -2.786 2.114 -12.152 1.00 32.31 O ATOM 1662 CB SER A 142 -5.726 0.943 -12.080 1.00 75.42 C ATOM 1663 OG SER A 142 -5.485 -0.103 -13.012 1.00 72.10 O ATOM 0 H SER A 142 -4.714 3.077 -10.603 1.00 74.25 H new ATOM 0 HA SER A 142 -4.642 0.128 -10.391 1.00 62.41 H new ATOM 0 HB2 SER A 142 -6.686 0.783 -11.590 1.00 75.42 H new ATOM 0 HB3 SER A 142 -5.792 1.895 -12.607 1.00 75.42 H new ATOM 0 HG SER A 142 -6.209 -0.127 -13.672 1.00 72.10 H new ATOM 1669 N MET A 143 -2.635 -0.118 -11.888 1.00 3.25 N ATOM 1670 CA MET A 143 -1.359 -0.253 -12.611 1.00 2.14 C ATOM 1671 C MET A 143 -1.513 0.133 -14.093 1.00 51.35 C ATOM 1672 O MET A 143 -0.530 0.376 -14.790 1.00 53.51 O ATOM 1673 CB MET A 143 -0.849 -1.699 -12.511 1.00 24.14 C ATOM 1674 CG MET A 143 -0.707 -2.211 -11.085 1.00 42.23 C ATOM 1675 SD MET A 143 0.644 -1.431 -10.182 1.00 24.31 S ATOM 1676 CE MET A 143 2.062 -2.191 -10.968 1.00 24.25 C ATOM 0 H MET A 143 -2.997 -0.997 -11.519 1.00 3.25 H new ATOM 0 HA MET A 143 -0.640 0.425 -12.150 1.00 2.14 H new ATOM 0 HB2 MET A 143 -1.532 -2.352 -13.054 1.00 24.14 H new ATOM 0 HB3 MET A 143 0.119 -1.767 -13.008 1.00 24.14 H new ATOM 0 HG2 MET A 143 -1.641 -2.039 -10.549 1.00 42.23 H new ATOM 0 HG3 MET A 143 -0.546 -3.289 -11.107 1.00 42.23 H new ATOM 0 HE1 MET A 143 2.708 -2.629 -10.207 1.00 24.25 H new ATOM 0 HE2 MET A 143 1.725 -2.971 -11.651 1.00 24.25 H new ATOM 0 HE3 MET A 143 2.617 -1.436 -11.525 1.00 24.25 H new ATOM 1686 N ASN A 144 -2.759 0.171 -14.568 1.00 12.42 N ATOM 1687 CA ASN A 144 -3.053 0.534 -15.960 1.00 63.54 C ATOM 1688 C ASN A 144 -2.880 2.046 -16.201 1.00 41.32 C ATOM 1689 O ASN A 144 -2.750 2.490 -17.343 1.00 71.44 O ATOM 1690 CB ASN A 144 -4.476 0.095 -16.326 1.00 41.43 C ATOM 1691 CG ASN A 144 -4.646 -1.415 -16.281 1.00 24.32 C ATOM 1692 OD1 ASN A 144 -3.717 -2.172 -16.542 1.00 1.34 O ATOM 1693 ND2 ASN A 144 -5.836 -1.869 -15.943 1.00 21.12 N ATOM 0 H ASN A 144 -3.585 -0.045 -14.009 1.00 12.42 H new ATOM 0 HA ASN A 144 -2.340 0.015 -16.601 1.00 63.54 H new ATOM 0 HB2 ASN A 144 -5.184 0.558 -15.639 1.00 41.43 H new ATOM 0 HB3 ASN A 144 -4.719 0.456 -17.326 1.00 41.43 H new ATOM 0 HD21 ASN A 144 -6.003 -2.874 -15.893 1.00 21.12 H new ATOM 0 HD22 ASN A 144 -6.590 -1.215 -15.731 1.00 21.12 H new ATOM 1700 N GLU A 145 -2.872 2.828 -15.124 1.00 72.44 N ATOM 1701 CA GLU A 145 -2.677 4.280 -15.223 1.00 12.23 C ATOM 1702 C GLU A 145 -1.254 4.617 -15.704 1.00 73.44 C ATOM 1703 O GLU A 145 -0.274 4.114 -15.151 1.00 64.22 O ATOM 1704 CB GLU A 145 -2.929 4.940 -13.862 1.00 33.13 C ATOM 1705 CG GLU A 145 -4.345 4.756 -13.328 1.00 21.45 C ATOM 1706 CD GLU A 145 -5.398 5.420 -14.202 1.00 32.03 C ATOM 1707 OE1 GLU A 145 -5.553 6.657 -14.117 1.00 54.25 O ATOM 1708 OE2 GLU A 145 -6.087 4.711 -14.969 1.00 0.12 O ATOM 0 H GLU A 145 -2.998 2.485 -14.172 1.00 72.44 H new ATOM 0 HA GLU A 145 -3.389 4.666 -15.953 1.00 12.23 H new ATOM 0 HB2 GLU A 145 -2.224 4.532 -13.137 1.00 33.13 H new ATOM 0 HB3 GLU A 145 -2.720 6.007 -13.944 1.00 33.13 H new ATOM 0 HG2 GLU A 145 -4.563 3.691 -13.251 1.00 21.45 H new ATOM 0 HG3 GLU A 145 -4.404 5.167 -12.320 1.00 21.45 H new ATOM 1715 N PRO A 146 -1.123 5.487 -16.729 1.00 31.53 N ATOM 1716 CA PRO A 146 0.182 5.828 -17.330 1.00 4.11 C ATOM 1717 C PRO A 146 1.273 6.175 -16.304 1.00 63.13 C ATOM 1718 O PRO A 146 2.366 5.608 -16.339 1.00 41.51 O ATOM 1719 CB PRO A 146 -0.147 7.043 -18.205 1.00 15.31 C ATOM 1720 CG PRO A 146 -1.573 6.841 -18.591 1.00 65.03 C ATOM 1721 CD PRO A 146 -2.234 6.199 -17.395 1.00 24.01 C ATOM 0 HA PRO A 146 0.601 4.980 -17.872 1.00 4.11 H new ATOM 0 HB2 PRO A 146 -0.011 7.976 -17.658 1.00 15.31 H new ATOM 0 HB3 PRO A 146 0.500 7.090 -19.081 1.00 15.31 H new ATOM 0 HG2 PRO A 146 -2.049 7.789 -18.839 1.00 65.03 H new ATOM 0 HG3 PRO A 146 -1.654 6.204 -19.472 1.00 65.03 H new ATOM 0 HD2 PRO A 146 -2.685 6.943 -16.738 1.00 24.01 H new ATOM 0 HD3 PRO A 146 -3.028 5.514 -17.694 1.00 24.01 H new ATOM 1729 N TYR A 147 0.974 7.101 -15.392 1.00 64.21 N ATOM 1730 CA TYR A 147 1.951 7.521 -14.375 1.00 1.41 C ATOM 1731 C TYR A 147 2.422 6.339 -13.518 1.00 44.44 C ATOM 1732 O TYR A 147 3.617 6.154 -13.305 1.00 22.01 O ATOM 1733 CB TYR A 147 1.359 8.613 -13.469 1.00 43.23 C ATOM 1734 CG TYR A 147 2.298 9.058 -12.354 1.00 12.45 C ATOM 1735 CD1 TYR A 147 3.357 9.924 -12.611 1.00 22.32 C ATOM 1736 CD2 TYR A 147 2.131 8.604 -11.047 1.00 24.12 C ATOM 1737 CE1 TYR A 147 4.217 10.322 -11.605 1.00 51.32 C ATOM 1738 CE2 TYR A 147 2.986 9.000 -10.036 1.00 24.53 C ATOM 1739 CZ TYR A 147 4.030 9.859 -10.321 1.00 44.42 C ATOM 1740 OH TYR A 147 4.890 10.248 -9.316 1.00 55.14 O ATOM 0 H TYR A 147 0.072 7.574 -15.333 1.00 64.21 H new ATOM 0 HA TYR A 147 2.814 7.923 -14.906 1.00 1.41 H new ATOM 0 HB2 TYR A 147 1.098 9.478 -14.079 1.00 43.23 H new ATOM 0 HB3 TYR A 147 0.433 8.244 -13.027 1.00 43.23 H new ATOM 0 HD1 TYR A 147 3.509 10.292 -13.615 1.00 22.32 H new ATOM 0 HD2 TYR A 147 1.318 7.930 -10.820 1.00 24.12 H new ATOM 0 HE1 TYR A 147 5.033 10.994 -11.825 1.00 51.32 H new ATOM 0 HE2 TYR A 147 2.839 8.640 -9.028 1.00 24.53 H new ATOM 0 HH TYR A 147 4.616 9.832 -8.472 1.00 55.14 H new ATOM 1750 N TRP A 148 1.480 5.529 -13.044 1.00 14.23 N ATOM 1751 CA TRP A 148 1.810 4.432 -12.126 1.00 34.24 C ATOM 1752 C TRP A 148 2.538 3.290 -12.849 1.00 1.21 C ATOM 1753 O TRP A 148 3.493 2.719 -12.323 1.00 22.12 O ATOM 1754 CB TRP A 148 0.541 3.904 -11.435 1.00 31.20 C ATOM 1755 CG TRP A 148 -0.128 4.921 -10.548 1.00 52.34 C ATOM 1756 CD1 TRP A 148 -1.361 5.481 -10.717 1.00 63.24 C ATOM 1757 CD2 TRP A 148 0.412 5.503 -9.353 1.00 12.04 C ATOM 1758 NE1 TRP A 148 -1.624 6.367 -9.704 1.00 4.32 N ATOM 1759 CE2 TRP A 148 -0.552 6.400 -8.853 1.00 12.22 C ATOM 1760 CE3 TRP A 148 1.611 5.349 -8.658 1.00 23.42 C ATOM 1761 CZ2 TRP A 148 -0.347 7.139 -7.690 1.00 22.50 C ATOM 1762 CZ3 TRP A 148 1.813 6.085 -7.505 1.00 34.31 C ATOM 1763 CH2 TRP A 148 0.838 6.970 -7.031 1.00 3.12 C ATOM 0 H TRP A 148 0.489 5.606 -13.275 1.00 14.23 H new ATOM 0 HA TRP A 148 2.484 4.830 -11.368 1.00 34.24 H new ATOM 0 HB2 TRP A 148 -0.167 3.575 -12.196 1.00 31.20 H new ATOM 0 HB3 TRP A 148 0.799 3.028 -10.840 1.00 31.20 H new ATOM 0 HD1 TRP A 148 -2.034 5.258 -11.532 1.00 63.24 H new ATOM 0 HE1 TRP A 148 -2.479 6.913 -9.601 1.00 4.32 H new ATOM 0 HE3 TRP A 148 2.369 4.667 -9.014 1.00 23.42 H new ATOM 0 HZ2 TRP A 148 -1.099 7.822 -7.322 1.00 22.50 H new ATOM 0 HZ3 TRP A 148 2.739 5.975 -6.961 1.00 34.31 H new ATOM 0 HH2 TRP A 148 1.026 7.530 -6.127 1.00 3.12 H new ATOM 1774 N LYS A 149 2.094 2.982 -14.064 1.00 72.42 N ATOM 1775 CA LYS A 149 2.674 1.896 -14.862 1.00 60.24 C ATOM 1776 C LYS A 149 4.181 2.103 -15.106 1.00 13.21 C ATOM 1777 O LYS A 149 4.995 1.220 -14.833 1.00 63.35 O ATOM 1778 CB LYS A 149 1.934 1.793 -16.203 1.00 63.14 C ATOM 1779 CG LYS A 149 2.312 0.571 -17.033 1.00 1.34 C ATOM 1780 CD LYS A 149 1.615 0.570 -18.391 1.00 21.14 C ATOM 1781 CE LYS A 149 0.100 0.624 -18.257 1.00 62.22 C ATOM 1782 NZ LYS A 149 -0.564 0.726 -19.581 1.00 64.20 N ATOM 0 H LYS A 149 1.327 3.472 -14.525 1.00 72.42 H new ATOM 0 HA LYS A 149 2.558 0.968 -14.301 1.00 60.24 H new ATOM 0 HB2 LYS A 149 0.861 1.771 -16.012 1.00 63.14 H new ATOM 0 HB3 LYS A 149 2.136 2.691 -16.787 1.00 63.14 H new ATOM 0 HG2 LYS A 149 3.392 0.551 -17.179 1.00 1.34 H new ATOM 0 HG3 LYS A 149 2.047 -0.335 -16.488 1.00 1.34 H new ATOM 0 HD2 LYS A 149 1.958 1.425 -18.974 1.00 21.14 H new ATOM 0 HD3 LYS A 149 1.898 -0.327 -18.943 1.00 21.14 H new ATOM 0 HE2 LYS A 149 -0.252 -0.269 -17.741 1.00 62.22 H new ATOM 0 HE3 LYS A 149 -0.181 1.479 -17.642 1.00 62.22 H new ATOM 0 HZ1 LYS A 149 -1.595 0.761 -19.450 1.00 64.20 H new ATOM 0 HZ2 LYS A 149 -0.247 1.591 -20.063 1.00 64.20 H new ATOM 0 HZ3 LYS A 149 -0.316 -0.102 -20.159 1.00 64.20 H new ATOM 1796 N LYS A 150 4.547 3.278 -15.616 1.00 33.13 N ATOM 1797 CA LYS A 150 5.952 3.580 -15.931 1.00 51.53 C ATOM 1798 C LYS A 150 6.763 3.935 -14.669 1.00 3.13 C ATOM 1799 O LYS A 150 7.998 3.968 -14.697 1.00 54.20 O ATOM 1800 CB LYS A 150 6.030 4.719 -16.959 1.00 40.33 C ATOM 1801 CG LYS A 150 5.415 6.032 -16.487 1.00 72.21 C ATOM 1802 CD LYS A 150 5.339 7.069 -17.609 1.00 4.32 C ATOM 1803 CE LYS A 150 4.403 6.625 -18.732 1.00 41.42 C ATOM 1804 NZ LYS A 150 4.322 7.639 -19.815 1.00 34.11 N ATOM 0 H LYS A 150 3.897 4.037 -15.821 1.00 33.13 H new ATOM 0 HA LYS A 150 6.396 2.681 -16.358 1.00 51.53 H new ATOM 0 HB2 LYS A 150 7.076 4.892 -17.214 1.00 40.33 H new ATOM 0 HB3 LYS A 150 5.527 4.403 -17.873 1.00 40.33 H new ATOM 0 HG2 LYS A 150 4.414 5.844 -16.100 1.00 72.21 H new ATOM 0 HG3 LYS A 150 6.006 6.433 -15.663 1.00 72.21 H new ATOM 0 HD2 LYS A 150 4.993 8.019 -17.202 1.00 4.32 H new ATOM 0 HD3 LYS A 150 6.337 7.240 -18.014 1.00 4.32 H new ATOM 0 HE2 LYS A 150 4.754 5.679 -19.145 1.00 41.42 H new ATOM 0 HE3 LYS A 150 3.407 6.446 -18.326 1.00 41.42 H new ATOM 0 HZ1 LYS A 150 3.678 7.302 -20.559 1.00 34.11 H new ATOM 0 HZ2 LYS A 150 3.964 8.534 -19.426 1.00 34.11 H new ATOM 0 HZ3 LYS A 150 5.268 7.791 -20.219 1.00 34.11 H new ATOM 1818 N ARG A 151 6.070 4.220 -13.567 1.00 23.22 N ATOM 1819 CA ARG A 151 6.729 4.482 -12.277 1.00 14.20 C ATOM 1820 C ARG A 151 6.876 3.201 -11.441 1.00 71.35 C ATOM 1821 O ARG A 151 7.585 3.193 -10.434 1.00 31.14 O ATOM 1822 CB ARG A 151 5.956 5.549 -11.482 1.00 65.53 C ATOM 1823 CG ARG A 151 6.409 6.993 -11.728 1.00 33.13 C ATOM 1824 CD ARG A 151 6.470 7.372 -13.208 1.00 33.40 C ATOM 1825 NE ARG A 151 7.691 6.891 -13.862 1.00 41.14 N ATOM 1826 CZ ARG A 151 8.294 7.514 -14.838 1.00 20.12 C ATOM 1827 NH1 ARG A 151 7.822 8.624 -15.307 1.00 62.30 N ATOM 1828 NH2 ARG A 151 9.373 7.028 -15.350 1.00 70.13 N ATOM 0 H ARG A 151 5.052 4.277 -13.536 1.00 23.22 H new ATOM 0 HA ARG A 151 7.730 4.855 -12.493 1.00 14.20 H new ATOM 0 HB2 ARG A 151 4.897 5.469 -11.729 1.00 65.53 H new ATOM 0 HB3 ARG A 151 6.053 5.330 -10.419 1.00 65.53 H new ATOM 0 HG2 ARG A 151 5.727 7.671 -11.216 1.00 33.13 H new ATOM 0 HG3 ARG A 151 7.394 7.137 -11.284 1.00 33.13 H new ATOM 0 HD2 ARG A 151 5.601 6.960 -13.721 1.00 33.40 H new ATOM 0 HD3 ARG A 151 6.413 8.456 -13.305 1.00 33.40 H new ATOM 0 HE ARG A 151 8.095 6.014 -13.534 1.00 41.14 H new ATOM 0 HH11 ARG A 151 6.969 9.022 -14.914 1.00 62.30 H new ATOM 0 HH12 ARG A 151 8.303 9.101 -16.070 1.00 62.30 H new ATOM 0 HH21 ARG A 151 9.758 6.154 -14.993 1.00 70.13 H new ATOM 0 HH22 ARG A 151 9.841 7.518 -16.112 1.00 70.13 H new ATOM 1842 N TYR A 152 6.196 2.129 -11.852 1.00 72.24 N ATOM 1843 CA TYR A 152 6.316 0.826 -11.190 1.00 32.23 C ATOM 1844 C TYR A 152 7.786 0.374 -11.114 1.00 14.13 C ATOM 1845 O TYR A 152 8.386 -0.026 -12.114 1.00 1.05 O ATOM 1846 CB TYR A 152 5.461 -0.219 -11.928 1.00 73.11 C ATOM 1847 CG TYR A 152 5.673 -1.651 -11.462 1.00 40.12 C ATOM 1848 CD1 TYR A 152 5.555 -2.001 -10.118 1.00 42.13 C ATOM 1849 CD2 TYR A 152 5.991 -2.653 -12.371 1.00 3.30 C ATOM 1850 CE1 TYR A 152 5.750 -3.305 -9.701 1.00 1.51 C ATOM 1851 CE2 TYR A 152 6.186 -3.955 -11.961 1.00 74.43 C ATOM 1852 CZ TYR A 152 6.065 -4.278 -10.627 1.00 55.42 C ATOM 1853 OH TYR A 152 6.268 -5.579 -10.219 1.00 14.22 O ATOM 0 H TYR A 152 5.553 2.137 -12.644 1.00 72.24 H new ATOM 0 HA TYR A 152 5.949 0.923 -10.168 1.00 32.23 H new ATOM 0 HB2 TYR A 152 4.409 0.038 -11.804 1.00 73.11 H new ATOM 0 HB3 TYR A 152 5.680 -0.161 -12.994 1.00 73.11 H new ATOM 0 HD1 TYR A 152 5.307 -1.242 -9.391 1.00 42.13 H new ATOM 0 HD2 TYR A 152 6.087 -2.407 -13.418 1.00 3.30 H new ATOM 0 HE1 TYR A 152 5.656 -3.560 -8.656 1.00 1.51 H new ATOM 0 HE2 TYR A 152 6.433 -4.719 -12.683 1.00 74.43 H new ATOM 0 HH TYR A 152 6.480 -6.136 -10.997 1.00 14.22 H new ATOM 1863 N ASN A 153 8.362 0.461 -9.917 1.00 42.20 N ATOM 1864 CA ASN A 153 9.776 0.135 -9.711 1.00 31.15 C ATOM 1865 C ASN A 153 9.967 -1.348 -9.352 1.00 13.10 C ATOM 1866 O ASN A 153 10.776 -2.046 -9.968 1.00 70.42 O ATOM 1867 CB ASN A 153 10.354 1.034 -8.611 1.00 71.22 C ATOM 1868 CG ASN A 153 11.863 0.897 -8.479 1.00 74.11 C ATOM 1869 OD1 ASN A 153 12.617 1.569 -9.174 1.00 44.43 O ATOM 1870 ND2 ASN A 153 12.313 0.042 -7.583 1.00 63.33 N ATOM 0 H ASN A 153 7.872 0.755 -9.072 1.00 42.20 H new ATOM 0 HA ASN A 153 10.310 0.314 -10.644 1.00 31.15 H new ATOM 0 HB2 ASN A 153 10.104 2.073 -8.827 1.00 71.22 H new ATOM 0 HB3 ASN A 153 9.885 0.785 -7.659 1.00 71.22 H new ATOM 0 HD21 ASN A 153 13.317 -0.077 -7.451 1.00 63.33 H new ATOM 0 HD22 ASN A 153 11.657 -0.501 -7.022 1.00 63.33 H new ATOM 1877 N GLU A 154 9.224 -1.820 -8.349 1.00 55.41 N ATOM 1878 CA GLU A 154 9.293 -3.224 -7.917 1.00 52.41 C ATOM 1879 C GLU A 154 8.210 -3.538 -6.870 1.00 62.22 C ATOM 1880 O GLU A 154 7.831 -2.678 -6.077 1.00 53.22 O ATOM 1881 CB GLU A 154 10.683 -3.546 -7.338 1.00 3.32 C ATOM 1882 CG GLU A 154 10.999 -2.824 -6.029 1.00 2.15 C ATOM 1883 CD GLU A 154 12.441 -3.012 -5.576 1.00 33.21 C ATOM 1884 OE1 GLU A 154 12.935 -4.158 -5.595 1.00 32.15 O ATOM 1885 OE2 GLU A 154 13.092 -2.010 -5.213 1.00 75.33 O ATOM 0 H GLU A 154 8.565 -1.252 -7.817 1.00 55.41 H new ATOM 0 HA GLU A 154 9.118 -3.847 -8.794 1.00 52.41 H new ATOM 0 HB2 GLU A 154 10.756 -4.621 -7.174 1.00 3.32 H new ATOM 0 HB3 GLU A 154 11.441 -3.285 -8.076 1.00 3.32 H new ATOM 0 HG2 GLU A 154 10.799 -1.760 -6.151 1.00 2.15 H new ATOM 0 HG3 GLU A 154 10.329 -3.188 -5.250 1.00 2.15 H new ATOM 1892 N ALA A 155 7.707 -4.769 -6.879 1.00 20.04 N ATOM 1893 CA ALA A 155 6.719 -5.211 -5.883 1.00 51.43 C ATOM 1894 C ALA A 155 7.382 -6.095 -4.818 1.00 42.04 C ATOM 1895 O ALA A 155 8.471 -6.615 -5.044 1.00 12.51 O ATOM 1896 CB ALA A 155 5.591 -5.959 -6.570 1.00 52.33 C ATOM 0 H ALA A 155 7.963 -5.482 -7.562 1.00 20.04 H new ATOM 0 HA ALA A 155 6.307 -4.333 -5.385 1.00 51.43 H new ATOM 0 HB1 ALA A 155 4.863 -6.283 -5.826 1.00 52.33 H new ATOM 0 HB2 ALA A 155 5.105 -5.302 -7.291 1.00 52.33 H new ATOM 0 HB3 ALA A 155 5.994 -6.830 -7.087 1.00 52.33 H new ATOM 1902 N ARG A 156 6.732 -6.266 -3.662 1.00 24.41 N ATOM 1903 CA ARG A 156 7.321 -7.028 -2.543 1.00 51.41 C ATOM 1904 C ARG A 156 6.246 -7.777 -1.732 1.00 33.21 C ATOM 1905 O ARG A 156 5.425 -7.159 -1.047 1.00 4.41 O ATOM 1906 CB ARG A 156 8.096 -6.097 -1.592 1.00 11.32 C ATOM 1907 CG ARG A 156 9.017 -5.102 -2.289 1.00 35.31 C ATOM 1908 CD ARG A 156 9.858 -4.302 -1.295 1.00 21.42 C ATOM 1909 NE ARG A 156 9.113 -3.905 -0.092 1.00 2.10 N ATOM 1910 CZ ARG A 156 8.065 -3.119 -0.071 1.00 73.41 C ATOM 1911 NH1 ARG A 156 7.544 -2.664 -1.169 1.00 51.52 N ATOM 1912 NH2 ARG A 156 7.525 -2.809 1.064 1.00 31.03 N ATOM 0 H ARG A 156 5.803 -5.891 -3.472 1.00 24.41 H new ATOM 0 HA ARG A 156 8.001 -7.756 -2.985 1.00 51.41 H new ATOM 0 HB2 ARG A 156 7.381 -5.545 -0.983 1.00 11.32 H new ATOM 0 HB3 ARG A 156 8.690 -6.707 -0.912 1.00 11.32 H new ATOM 0 HG2 ARG A 156 9.676 -5.637 -2.973 1.00 35.31 H new ATOM 0 HG3 ARG A 156 8.420 -4.417 -2.892 1.00 35.31 H new ATOM 0 HD2 ARG A 156 10.722 -4.897 -0.999 1.00 21.42 H new ATOM 0 HD3 ARG A 156 10.240 -3.409 -1.789 1.00 21.42 H new ATOM 0 HE ARG A 156 9.439 -4.272 0.802 1.00 2.10 H new ATOM 0 HH11 ARG A 156 7.951 -2.917 -2.070 1.00 51.52 H new ATOM 0 HH12 ARG A 156 6.728 -2.053 -1.131 1.00 51.52 H new ATOM 0 HH21 ARG A 156 7.916 -3.176 1.932 1.00 31.03 H new ATOM 0 HH22 ARG A 156 6.709 -2.198 1.090 1.00 31.03 H new ATOM 1926 N ARG A 157 6.274 -9.104 -1.790 1.00 30.13 N ATOM 1927 CA ARG A 157 5.311 -9.932 -1.054 1.00 50.34 C ATOM 1928 C ARG A 157 5.665 -10.007 0.445 1.00 50.51 C ATOM 1929 O ARG A 157 6.523 -10.788 0.862 1.00 15.25 O ATOM 1930 CB ARG A 157 5.245 -11.347 -1.665 1.00 52.11 C ATOM 1931 CG ARG A 157 6.596 -12.071 -1.694 1.00 55.31 C ATOM 1932 CD ARG A 157 7.018 -12.469 -3.102 1.00 34.52 C ATOM 1933 NE ARG A 157 8.471 -12.547 -3.224 1.00 21.04 N ATOM 1934 CZ ARG A 157 9.099 -13.169 -4.179 1.00 42.42 C ATOM 1935 NH1 ARG A 157 8.451 -13.859 -5.062 1.00 21.43 N ATOM 1936 NH2 ARG A 157 10.385 -13.112 -4.243 1.00 52.41 N ATOM 0 H ARG A 157 6.951 -9.634 -2.338 1.00 30.13 H new ATOM 0 HA ARG A 157 4.330 -9.464 -1.141 1.00 50.34 H new ATOM 0 HB2 ARG A 157 4.534 -11.946 -1.096 1.00 52.11 H new ATOM 0 HB3 ARG A 157 4.859 -11.276 -2.682 1.00 52.11 H new ATOM 0 HG2 ARG A 157 7.359 -11.426 -1.259 1.00 55.31 H new ATOM 0 HG3 ARG A 157 6.539 -12.963 -1.070 1.00 55.31 H new ATOM 0 HD2 ARG A 157 6.578 -13.434 -3.356 1.00 34.52 H new ATOM 0 HD3 ARG A 157 6.630 -11.744 -3.818 1.00 34.52 H new ATOM 0 HE ARG A 157 9.033 -12.082 -2.511 1.00 21.04 H new ATOM 0 HH11 ARG A 157 7.434 -13.921 -5.015 1.00 21.43 H new ATOM 0 HH12 ARG A 157 8.957 -14.341 -5.805 1.00 21.43 H new ATOM 0 HH21 ARG A 157 10.907 -12.581 -3.546 1.00 52.41 H new ATOM 0 HH22 ARG A 157 10.880 -13.598 -4.990 1.00 52.41 H new ATOM 1950 N VAL A 158 5.027 -9.168 1.252 1.00 34.10 N ATOM 1951 CA VAL A 158 5.231 -9.202 2.705 1.00 40.14 C ATOM 1952 C VAL A 158 4.470 -10.369 3.357 1.00 65.44 C ATOM 1953 O VAL A 158 4.894 -10.908 4.380 1.00 43.11 O ATOM 1954 CB VAL A 158 4.820 -7.869 3.375 1.00 63.43 C ATOM 1955 CG1 VAL A 158 5.765 -6.747 2.952 1.00 24.10 C ATOM 1956 CG2 VAL A 158 3.366 -7.511 3.046 1.00 14.34 C ATOM 0 H VAL A 158 4.367 -8.458 0.933 1.00 34.10 H new ATOM 0 HA VAL A 158 6.299 -9.352 2.863 1.00 40.14 H new ATOM 0 HB VAL A 158 4.895 -7.994 4.455 1.00 63.43 H new ATOM 0 HG11 VAL A 158 5.462 -5.816 3.432 1.00 24.10 H new ATOM 0 HG12 VAL A 158 6.783 -6.996 3.252 1.00 24.10 H new ATOM 0 HG13 VAL A 158 5.725 -6.627 1.869 1.00 24.10 H new ATOM 0 HG21 VAL A 158 3.105 -6.570 3.530 1.00 14.34 H new ATOM 0 HG22 VAL A 158 3.252 -7.408 1.967 1.00 14.34 H new ATOM 0 HG23 VAL A 158 2.706 -8.300 3.407 1.00 14.34 H new ATOM 1966 N LEU A 159 3.347 -10.757 2.758 1.00 20.34 N ATOM 1967 CA LEU A 159 2.590 -11.923 3.217 1.00 2.15 C ATOM 1968 C LEU A 159 3.243 -13.220 2.711 1.00 72.44 C ATOM 1969 O LEU A 159 3.757 -13.266 1.592 1.00 42.24 O ATOM 1970 CB LEU A 159 1.132 -11.842 2.742 1.00 55.41 C ATOM 1971 CG LEU A 159 0.334 -10.637 3.271 1.00 24.33 C ATOM 1972 CD1 LEU A 159 -1.088 -10.644 2.715 1.00 24.12 C ATOM 1973 CD2 LEU A 159 0.314 -10.629 4.801 1.00 55.10 C ATOM 0 H LEU A 159 2.939 -10.282 1.953 1.00 20.34 H new ATOM 0 HA LEU A 159 2.599 -11.930 4.307 1.00 2.15 H new ATOM 0 HB2 LEU A 159 1.123 -11.813 1.652 1.00 55.41 H new ATOM 0 HB3 LEU A 159 0.619 -12.756 3.040 1.00 55.41 H new ATOM 0 HG LEU A 159 0.829 -9.727 2.931 1.00 24.33 H new ATOM 0 HD11 LEU A 159 -1.634 -9.784 3.102 1.00 24.12 H new ATOM 0 HD12 LEU A 159 -1.053 -10.592 1.627 1.00 24.12 H new ATOM 0 HD13 LEU A 159 -1.593 -11.561 3.019 1.00 24.12 H new ATOM 0 HD21 LEU A 159 -0.255 -9.769 5.153 1.00 55.10 H new ATOM 0 HD22 LEU A 159 -0.152 -11.545 5.164 1.00 55.10 H new ATOM 0 HD23 LEU A 159 1.335 -10.567 5.178 1.00 55.10 H new