USER MOD reduce.3.24.130724 H: found=0, std=0, add=842, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 840 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 53 GLN : amide:sc= 0.483 K(o=1.7,f=-6!) USER MOD Set 1.2: A 57 ASN : amide:sc= 0.319 K(o=1.7,f=-5.1!) USER MOD Set 1.3: A 99 HIS : no HD1:sc= 0.849 K(o=1.7,f=-2.5!) USER MOD Set 2.1: A 52 TYR OH : rot -168:sc= 1.25 USER MOD Set 2.2: A 72 ASN : amide:sc= 1.04 K(o=2.3,f=-0.85) USER MOD Set 3.1: A 62 THR OG1 : rot 58:sc= 0.643 USER MOD Set 3.2: A 63 HIS : no HD1:sc= 0.368 K(o=1,f=-1.6!) USER MOD Set 4.1: A 30 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 34 HIS :FLIP no HE2:sc= 0.0436 F(o=-0.66,f=0.044) USER MOD Set 4.3: A 59 TYR OH : rot 130:sc= 0 USER MOD Set 5.1: A 21 SER OG : rot 180:sc= 0.711 USER MOD Set 5.2: A 24 THR OG1 : rot 78:sc= 0.793 USER MOD Set 6.1: A 16 LYS NZ :NH3+ -163:sc= 0.33 (180deg=0) USER MOD Set 6.2: A 77 ASN : amide:sc= -1.34! K(o=-1!,f=-4.3) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot -178:sc= 0.0469 USER MOD Single : A 9 TYR OH : rot -131:sc= 0.126 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 12 TYR OH : rot -65:sc= -2.78! USER MOD Single : A 15 ASN : amide:sc= 0.311 K(o=0.31,f=-0.47) USER MOD Single : A 19 HIS : no HD1:sc= -0.687 X(o=-0.69,f=-0.28) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -116:sc= 0.91 (180deg=-0.194) USER MOD Single : A 27 HIS :FLIP no HE2:sc= 0.139 F(o=-0.52,f=0.14) USER MOD Single : A 28 TYR OH : rot 82:sc= -0.265 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0184) USER MOD Single : A 38 HIS :FLIP no HE2:sc= -0.617 F(o=-1.4,f=-0.62) USER MOD Single : A 41 HIS : no HD1:sc= -0.162 X(o=-0.16,f=-0.011) USER MOD Single : A 42 LYS NZ :NH3+ 144:sc= 1.28 (180deg=0.809) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.0268 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 86:sc= 1.27 USER MOD Single : A 74 TYR OH : rot 30:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= -0.325 X(o=-0.32,f=0.058) USER MOD Single : A 87 TYR OH : rot 130:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -167:sc= -0.0369 (180deg=-0.247) USER MOD Single : A 91 ASN : amide:sc= -1.51 K(o=-1.5,f=-3.5!) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.0022 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ -157:sc= -0.137 (180deg=-0.568) USER MOD Single : A 101 SER OG : rot -39:sc= 0.729 USER MOD ----------------------------------------------------------------- ATOM 20 N ILE A 2 4.313 7.164 12.796 1.00 1.04 N ATOM 21 CA ILE A 2 4.626 5.781 12.470 1.00 75.23 C ATOM 22 C ILE A 2 5.115 5.679 11.025 1.00 3.45 C ATOM 23 O ILE A 2 4.861 6.578 10.214 1.00 34.42 O ATOM 24 CB ILE A 2 3.379 4.884 12.675 1.00 1.52 C ATOM 25 CG1 ILE A 2 3.735 3.400 12.549 1.00 54.53 C ATOM 26 CG2 ILE A 2 2.287 5.257 11.680 1.00 63.44 C ATOM 27 CD1 ILE A 2 2.556 2.477 12.762 1.00 63.13 C ATOM 0 HA ILE A 2 5.417 5.436 13.136 1.00 75.23 H new ATOM 0 HB ILE A 2 3.006 5.053 13.685 1.00 1.52 H new ATOM 0 HG12 ILE A 2 4.155 3.218 11.560 1.00 54.53 H new ATOM 0 HG13 ILE A 2 4.512 3.158 13.274 1.00 54.53 H new ATOM 0 HG21 ILE A 2 1.418 4.618 11.837 1.00 63.44 H new ATOM 0 HG22 ILE A 2 2.002 6.299 11.826 1.00 63.44 H new ATOM 0 HG23 ILE A 2 2.658 5.121 10.664 1.00 63.44 H new ATOM 0 HD11 ILE A 2 2.881 1.442 12.658 1.00 63.13 H new ATOM 0 HD12 ILE A 2 2.149 2.631 13.761 1.00 63.13 H new ATOM 0 HD13 ILE A 2 1.787 2.692 12.020 1.00 63.13 H new ATOM 39 N THR A 3 5.825 4.606 10.709 1.00 24.32 N ATOM 40 CA THR A 3 6.314 4.382 9.359 1.00 63.01 C ATOM 41 C THR A 3 5.185 3.883 8.463 1.00 24.50 C ATOM 42 O THR A 3 4.231 3.263 8.942 1.00 54.33 O ATOM 43 CB THR A 3 7.469 3.363 9.346 1.00 44.01 C ATOM 44 OG1 THR A 3 7.065 2.161 10.011 1.00 24.43 O ATOM 45 CG2 THR A 3 8.706 3.935 10.023 1.00 5.21 C ATOM 0 H THR A 3 6.076 3.874 11.374 1.00 24.32 H new ATOM 0 HA THR A 3 6.687 5.333 8.979 1.00 63.01 H new ATOM 0 HB THR A 3 7.717 3.139 8.308 1.00 44.01 H new ATOM 0 HG1 THR A 3 7.803 1.516 9.998 1.00 24.43 H new ATOM 0 HG21 THR A 3 9.507 3.196 10.001 1.00 5.21 H new ATOM 0 HG22 THR A 3 9.026 4.834 9.496 1.00 5.21 H new ATOM 0 HG23 THR A 3 8.472 4.185 11.058 1.00 5.21 H new ATOM 53 N PHE A 4 5.295 4.156 7.172 1.00 41.52 N ATOM 54 CA PHE A 4 4.269 3.771 6.212 1.00 2.33 C ATOM 55 C PHE A 4 4.143 2.253 6.133 1.00 35.51 C ATOM 56 O PHE A 4 3.036 1.712 6.135 1.00 33.02 O ATOM 57 CB PHE A 4 4.596 4.359 4.835 1.00 1.51 C ATOM 58 CG PHE A 4 3.621 3.974 3.756 1.00 13.05 C ATOM 59 CD1 PHE A 4 2.257 4.017 3.985 1.00 73.14 C ATOM 60 CD2 PHE A 4 4.075 3.560 2.514 1.00 24.13 C ATOM 61 CE1 PHE A 4 1.364 3.654 2.999 1.00 2.13 C ATOM 62 CE2 PHE A 4 3.185 3.194 1.523 1.00 12.03 C ATOM 63 CZ PHE A 4 1.827 3.242 1.766 1.00 41.01 C ATOM 0 H PHE A 4 6.090 4.646 6.762 1.00 41.52 H new ATOM 0 HA PHE A 4 3.311 4.169 6.546 1.00 2.33 H new ATOM 0 HB2 PHE A 4 4.624 5.446 4.913 1.00 1.51 H new ATOM 0 HB3 PHE A 4 5.594 4.034 4.541 1.00 1.51 H new ATOM 0 HD1 PHE A 4 1.887 4.339 4.947 1.00 73.14 H new ATOM 0 HD2 PHE A 4 5.137 3.523 2.319 1.00 24.13 H new ATOM 0 HE1 PHE A 4 0.302 3.692 3.192 1.00 2.13 H new ATOM 0 HE2 PHE A 4 3.551 2.871 0.560 1.00 12.03 H new ATOM 0 HZ PHE A 4 1.128 2.958 0.993 1.00 41.01 H new ATOM 73 N ALA A 5 5.282 1.577 6.086 1.00 34.33 N ATOM 74 CA ALA A 5 5.307 0.126 5.977 1.00 61.41 C ATOM 75 C ALA A 5 4.600 -0.531 7.160 1.00 14.53 C ATOM 76 O ALA A 5 3.732 -1.388 6.982 1.00 14.10 O ATOM 77 CB ALA A 5 6.743 -0.368 5.877 1.00 0.02 C ATOM 0 H ALA A 5 6.204 2.012 6.122 1.00 34.33 H new ATOM 0 HA ALA A 5 4.771 -0.154 5.070 1.00 61.41 H new ATOM 0 HB1 ALA A 5 6.749 -1.455 5.796 1.00 0.02 H new ATOM 0 HB2 ALA A 5 7.216 0.064 4.995 1.00 0.02 H new ATOM 0 HB3 ALA A 5 7.294 -0.068 6.768 1.00 0.02 H new ATOM 83 N ASP A 6 4.953 -0.108 8.367 1.00 25.24 N ATOM 84 CA ASP A 6 4.395 -0.712 9.572 1.00 21.04 C ATOM 85 C ASP A 6 2.917 -0.363 9.722 1.00 42.02 C ATOM 86 O ASP A 6 2.111 -1.211 10.111 1.00 52.53 O ATOM 87 CB ASP A 6 5.174 -0.265 10.809 1.00 31.24 C ATOM 88 CG ASP A 6 4.706 -0.956 12.075 1.00 71.22 C ATOM 89 OD1 ASP A 6 4.783 -2.201 12.141 1.00 33.21 O ATOM 90 OD2 ASP A 6 4.262 -0.262 13.009 1.00 21.14 O ATOM 0 H ASP A 6 5.619 0.646 8.538 1.00 25.24 H new ATOM 0 HA ASP A 6 4.483 -1.794 9.478 1.00 21.04 H new ATOM 0 HB2 ASP A 6 6.234 -0.469 10.659 1.00 31.24 H new ATOM 0 HB3 ASP A 6 5.070 0.813 10.929 1.00 31.24 H new ATOM 95 N TYR A 7 2.566 0.877 9.394 1.00 32.24 N ATOM 96 CA TYR A 7 1.176 1.319 9.456 1.00 50.43 C ATOM 97 C TYR A 7 0.314 0.527 8.485 1.00 20.43 C ATOM 98 O TYR A 7 -0.798 0.128 8.824 1.00 34.55 O ATOM 99 CB TYR A 7 1.056 2.816 9.151 1.00 11.40 C ATOM 100 CG TYR A 7 -0.377 3.301 9.044 1.00 12.35 C ATOM 101 CD1 TYR A 7 -1.132 3.558 10.181 1.00 72.04 C ATOM 102 CD2 TYR A 7 -0.973 3.497 7.804 1.00 5.04 C ATOM 103 CE1 TYR A 7 -2.440 3.994 10.084 1.00 42.54 C ATOM 104 CE2 TYR A 7 -2.279 3.933 7.699 1.00 43.13 C ATOM 105 CZ TYR A 7 -3.009 4.179 8.842 1.00 24.23 C ATOM 106 OH TYR A 7 -4.308 4.616 8.741 1.00 14.32 O ATOM 0 H TYR A 7 3.223 1.592 9.083 1.00 32.24 H new ATOM 0 HA TYR A 7 0.822 1.142 10.471 1.00 50.43 H new ATOM 0 HB2 TYR A 7 1.564 3.380 9.934 1.00 11.40 H new ATOM 0 HB3 TYR A 7 1.574 3.030 8.216 1.00 11.40 H new ATOM 0 HD1 TYR A 7 -0.690 3.415 11.156 1.00 72.04 H new ATOM 0 HD2 TYR A 7 -0.404 3.305 6.906 1.00 5.04 H new ATOM 0 HE1 TYR A 7 -3.014 4.189 10.978 1.00 42.54 H new ATOM 0 HE2 TYR A 7 -2.726 4.080 6.727 1.00 43.13 H new ATOM 0 HH TYR A 7 -4.564 4.664 7.796 1.00 14.32 H new ATOM 116 N PHE A 8 0.830 0.299 7.280 1.00 64.43 N ATOM 117 CA PHE A 8 0.095 -0.442 6.264 1.00 63.20 C ATOM 118 C PHE A 8 -0.261 -1.830 6.774 1.00 22.05 C ATOM 119 O PHE A 8 -1.393 -2.291 6.617 1.00 64.50 O ATOM 120 CB PHE A 8 0.912 -0.552 4.974 1.00 44.31 C ATOM 121 CG PHE A 8 0.168 -1.218 3.852 1.00 1.20 C ATOM 122 CD1 PHE A 8 -0.755 -0.509 3.102 1.00 43.41 C ATOM 123 CD2 PHE A 8 0.396 -2.550 3.544 1.00 54.34 C ATOM 124 CE1 PHE A 8 -1.439 -1.117 2.067 1.00 22.44 C ATOM 125 CE2 PHE A 8 -0.286 -3.164 2.512 1.00 21.44 C ATOM 126 CZ PHE A 8 -1.204 -2.446 1.772 1.00 11.54 C ATOM 0 H PHE A 8 1.753 0.617 6.985 1.00 64.43 H new ATOM 0 HA PHE A 8 -0.824 0.102 6.047 1.00 63.20 H new ATOM 0 HB2 PHE A 8 1.214 0.446 4.658 1.00 44.31 H new ATOM 0 HB3 PHE A 8 1.825 -1.112 5.177 1.00 44.31 H new ATOM 0 HD1 PHE A 8 -0.942 0.530 3.328 1.00 43.41 H new ATOM 0 HD2 PHE A 8 1.116 -3.115 4.118 1.00 54.34 H new ATOM 0 HE1 PHE A 8 -2.157 -0.554 1.489 1.00 22.44 H new ATOM 0 HE2 PHE A 8 -0.102 -4.204 2.284 1.00 21.44 H new ATOM 0 HZ PHE A 8 -1.738 -2.923 0.963 1.00 11.54 H new ATOM 136 N TYR A 9 0.705 -2.490 7.400 1.00 55.10 N ATOM 137 CA TYR A 9 0.474 -3.821 7.934 1.00 74.33 C ATOM 138 C TYR A 9 -0.462 -3.764 9.139 1.00 63.45 C ATOM 139 O TYR A 9 -1.370 -4.585 9.260 1.00 71.30 O ATOM 140 CB TYR A 9 1.792 -4.500 8.316 1.00 2.31 C ATOM 141 CG TYR A 9 1.614 -5.958 8.675 1.00 53.13 C ATOM 142 CD1 TYR A 9 1.609 -6.937 7.688 1.00 12.54 C ATOM 143 CD2 TYR A 9 1.427 -6.352 9.992 1.00 75.51 C ATOM 144 CE1 TYR A 9 1.427 -8.267 8.005 1.00 25.42 C ATOM 145 CE2 TYR A 9 1.239 -7.678 10.318 1.00 14.32 C ATOM 146 CZ TYR A 9 1.241 -8.634 9.322 1.00 50.54 C ATOM 147 OH TYR A 9 1.040 -9.955 9.646 1.00 72.43 O ATOM 0 H TYR A 9 1.647 -2.128 7.548 1.00 55.10 H new ATOM 0 HA TYR A 9 0.000 -4.415 7.153 1.00 74.33 H new ATOM 0 HB2 TYR A 9 2.493 -4.417 7.485 1.00 2.31 H new ATOM 0 HB3 TYR A 9 2.236 -3.973 9.161 1.00 2.31 H new ATOM 0 HD1 TYR A 9 1.750 -6.651 6.656 1.00 12.54 H new ATOM 0 HD2 TYR A 9 1.429 -5.608 10.775 1.00 75.51 H new ATOM 0 HE1 TYR A 9 1.430 -9.016 7.227 1.00 25.42 H new ATOM 0 HE2 TYR A 9 1.091 -7.968 11.348 1.00 14.32 H new ATOM 0 HH TYR A 9 0.260 -10.032 10.235 1.00 72.43 H new ATOM 157 N GLN A 10 -0.244 -2.788 10.020 1.00 72.21 N ATOM 158 CA GLN A 10 -1.092 -2.613 11.199 1.00 15.54 C ATOM 159 C GLN A 10 -2.536 -2.373 10.775 1.00 55.33 C ATOM 160 O GLN A 10 -3.465 -2.972 11.318 1.00 4.35 O ATOM 161 CB GLN A 10 -0.596 -1.434 12.045 1.00 63.34 C ATOM 162 CG GLN A 10 -1.451 -1.159 13.272 1.00 71.31 C ATOM 163 CD GLN A 10 -1.021 0.093 14.013 1.00 14.55 C ATOM 164 OE1 GLN A 10 0.152 0.462 14.006 1.00 65.00 O ATOM 165 NE2 GLN A 10 -1.967 0.755 14.662 1.00 71.23 N ATOM 0 H GLN A 10 0.511 -2.107 9.940 1.00 72.21 H new ATOM 0 HA GLN A 10 -1.042 -3.522 11.799 1.00 15.54 H new ATOM 0 HB2 GLN A 10 0.427 -1.632 12.363 1.00 63.34 H new ATOM 0 HB3 GLN A 10 -0.569 -0.539 11.424 1.00 63.34 H new ATOM 0 HG2 GLN A 10 -2.493 -1.058 12.969 1.00 71.31 H new ATOM 0 HG3 GLN A 10 -1.397 -2.013 13.947 1.00 71.31 H new ATOM 0 HE21 GLN A 10 -2.929 0.417 14.644 1.00 71.23 H new ATOM 0 HE22 GLN A 10 -1.733 1.602 15.179 1.00 71.23 H new ATOM 174 N TRP A 11 -2.700 -1.500 9.788 1.00 61.42 N ATOM 175 CA TRP A 11 -4.002 -1.189 9.220 1.00 51.31 C ATOM 176 C TRP A 11 -4.681 -2.456 8.711 1.00 41.12 C ATOM 177 O TRP A 11 -5.821 -2.740 9.068 1.00 30.02 O ATOM 178 CB TRP A 11 -3.825 -0.172 8.086 1.00 43.43 C ATOM 179 CG TRP A 11 -5.063 0.096 7.286 1.00 65.40 C ATOM 180 CD1 TRP A 11 -6.100 0.923 7.618 1.00 43.42 C ATOM 181 CD2 TRP A 11 -5.380 -0.452 6.003 1.00 24.33 C ATOM 182 NE1 TRP A 11 -7.042 0.917 6.617 1.00 20.23 N ATOM 183 CE2 TRP A 11 -6.623 0.080 5.617 1.00 32.15 C ATOM 184 CE3 TRP A 11 -4.731 -1.345 5.141 1.00 20.32 C ATOM 185 CZ2 TRP A 11 -7.228 -0.250 4.410 1.00 11.31 C ATOM 186 CZ3 TRP A 11 -5.335 -1.671 3.943 1.00 72.23 C ATOM 187 CH2 TRP A 11 -6.572 -1.123 3.588 1.00 32.35 C ATOM 0 H TRP A 11 -1.930 -0.987 9.359 1.00 61.42 H new ATOM 0 HA TRP A 11 -4.641 -0.758 9.991 1.00 51.31 H new ATOM 0 HB2 TRP A 11 -3.473 0.768 8.511 1.00 43.43 H new ATOM 0 HB3 TRP A 11 -3.045 -0.530 7.414 1.00 43.43 H new ATOM 0 HD1 TRP A 11 -6.169 1.496 8.531 1.00 43.42 H new ATOM 0 HE1 TRP A 11 -7.912 1.449 6.619 1.00 20.23 H new ATOM 0 HE3 TRP A 11 -3.775 -1.771 5.409 1.00 20.32 H new ATOM 0 HZ2 TRP A 11 -8.184 0.169 4.131 1.00 11.31 H new ATOM 0 HZ3 TRP A 11 -4.845 -2.359 3.270 1.00 72.23 H new ATOM 0 HH2 TRP A 11 -7.019 -1.396 2.643 1.00 32.35 H new ATOM 198 N TYR A 12 -3.967 -3.224 7.897 1.00 62.13 N ATOM 199 CA TYR A 12 -4.504 -4.461 7.341 1.00 40.04 C ATOM 200 C TYR A 12 -4.876 -5.449 8.447 1.00 64.11 C ATOM 201 O TYR A 12 -6.000 -5.960 8.478 1.00 61.22 O ATOM 202 CB TYR A 12 -3.490 -5.091 6.386 1.00 2.30 C ATOM 203 CG TYR A 12 -3.873 -6.476 5.915 1.00 71.11 C ATOM 204 CD1 TYR A 12 -5.062 -6.694 5.233 1.00 62.44 C ATOM 205 CD2 TYR A 12 -3.046 -7.563 6.160 1.00 63.10 C ATOM 206 CE1 TYR A 12 -5.415 -7.956 4.808 1.00 41.41 C ATOM 207 CE2 TYR A 12 -3.393 -8.828 5.733 1.00 23.32 C ATOM 208 CZ TYR A 12 -4.578 -9.015 5.060 1.00 73.34 C ATOM 209 OH TYR A 12 -4.926 -10.264 4.627 1.00 24.23 O ATOM 0 H TYR A 12 -3.013 -3.012 7.606 1.00 62.13 H new ATOM 0 HA TYR A 12 -5.412 -4.219 6.788 1.00 40.04 H new ATOM 0 HB2 TYR A 12 -3.371 -4.442 5.518 1.00 2.30 H new ATOM 0 HB3 TYR A 12 -2.521 -5.141 6.882 1.00 2.30 H new ATOM 0 HD1 TYR A 12 -5.720 -5.862 5.032 1.00 62.44 H new ATOM 0 HD2 TYR A 12 -2.118 -7.417 6.692 1.00 63.10 H new ATOM 0 HE1 TYR A 12 -6.344 -8.111 4.280 1.00 41.41 H new ATOM 0 HE2 TYR A 12 -2.739 -9.666 5.926 1.00 23.32 H new ATOM 0 HH TYR A 12 -5.734 -10.560 5.096 1.00 24.23 H new ATOM 219 N GLU A 13 -3.930 -5.678 9.355 1.00 13.32 N ATOM 220 CA GLU A 13 -4.079 -6.647 10.442 1.00 13.25 C ATOM 221 C GLU A 13 -5.365 -6.411 11.243 1.00 41.24 C ATOM 222 O GLU A 13 -6.002 -7.358 11.703 1.00 34.02 O ATOM 223 CB GLU A 13 -2.851 -6.550 11.359 1.00 72.21 C ATOM 224 CG GLU A 13 -2.792 -7.582 12.478 1.00 33.31 C ATOM 225 CD GLU A 13 -2.491 -8.990 11.998 1.00 62.40 C ATOM 226 OE1 GLU A 13 -1.405 -9.211 11.427 1.00 74.35 O ATOM 227 OE2 GLU A 13 -3.331 -9.887 12.216 1.00 4.31 O ATOM 0 H GLU A 13 -3.032 -5.194 9.359 1.00 13.32 H new ATOM 0 HA GLU A 13 -4.150 -7.647 10.013 1.00 13.25 H new ATOM 0 HB2 GLU A 13 -1.953 -6.648 10.749 1.00 72.21 H new ATOM 0 HB3 GLU A 13 -2.827 -5.555 11.803 1.00 72.21 H new ATOM 0 HG2 GLU A 13 -2.029 -7.282 13.196 1.00 33.31 H new ATOM 0 HG3 GLU A 13 -3.745 -7.585 13.008 1.00 33.31 H new ATOM 234 N VAL A 14 -5.751 -5.151 11.393 1.00 34.51 N ATOM 235 CA VAL A 14 -6.940 -4.805 12.166 1.00 14.31 C ATOM 236 C VAL A 14 -8.186 -4.719 11.283 1.00 1.21 C ATOM 237 O VAL A 14 -9.289 -5.071 11.708 1.00 34.44 O ATOM 238 CB VAL A 14 -6.762 -3.448 12.886 1.00 4.04 C ATOM 239 CG1 VAL A 14 -7.965 -3.134 13.761 1.00 12.44 C ATOM 240 CG2 VAL A 14 -5.486 -3.434 13.713 1.00 42.11 C ATOM 0 H VAL A 14 -5.261 -4.352 10.991 1.00 34.51 H new ATOM 0 HA VAL A 14 -7.071 -5.601 12.899 1.00 14.31 H new ATOM 0 HB VAL A 14 -6.683 -2.675 12.122 1.00 4.04 H new ATOM 0 HG11 VAL A 14 -7.814 -2.175 14.256 1.00 12.44 H new ATOM 0 HG12 VAL A 14 -8.862 -3.087 13.143 1.00 12.44 H new ATOM 0 HG13 VAL A 14 -8.082 -3.915 14.512 1.00 12.44 H new ATOM 0 HG21 VAL A 14 -5.384 -2.469 14.209 1.00 42.11 H new ATOM 0 HG22 VAL A 14 -5.529 -4.224 14.462 1.00 42.11 H new ATOM 0 HG23 VAL A 14 -4.628 -3.599 13.061 1.00 42.11 H new ATOM 250 N ASN A 15 -8.002 -4.287 10.044 1.00 72.13 N ATOM 251 CA ASN A 15 -9.127 -3.832 9.232 1.00 42.31 C ATOM 252 C ASN A 15 -9.633 -4.890 8.265 1.00 13.11 C ATOM 253 O ASN A 15 -10.817 -5.213 8.268 1.00 4.52 O ATOM 254 CB ASN A 15 -8.740 -2.573 8.453 1.00 33.01 C ATOM 255 CG ASN A 15 -9.664 -1.411 8.744 1.00 72.43 C ATOM 256 OD1 ASN A 15 -10.859 -1.593 8.971 1.00 70.11 O ATOM 257 ND2 ASN A 15 -9.114 -0.209 8.744 1.00 52.44 N ATOM 0 H ASN A 15 -7.095 -4.241 9.580 1.00 72.13 H new ATOM 0 HA ASN A 15 -9.940 -3.614 9.925 1.00 42.31 H new ATOM 0 HB2 ASN A 15 -7.717 -2.293 8.705 1.00 33.01 H new ATOM 0 HB3 ASN A 15 -8.758 -2.790 7.385 1.00 33.01 H new ATOM 0 HD21 ASN A 15 -9.686 0.613 8.938 1.00 52.44 H new ATOM 0 HD22 ASN A 15 -8.118 -0.104 8.550 1.00 52.44 H new ATOM 264 N LYS A 16 -8.744 -5.431 7.441 1.00 24.21 N ATOM 265 CA LYS A 16 -9.167 -6.274 6.321 1.00 32.12 C ATOM 266 C LYS A 16 -8.915 -7.754 6.590 1.00 2.54 C ATOM 267 O LYS A 16 -9.410 -8.612 5.858 1.00 61.31 O ATOM 268 CB LYS A 16 -8.426 -5.862 5.047 1.00 64.12 C ATOM 269 CG LYS A 16 -8.495 -4.375 4.742 1.00 32.40 C ATOM 270 CD LYS A 16 -9.921 -3.911 4.501 1.00 43.41 C ATOM 271 CE LYS A 16 -9.954 -2.439 4.131 1.00 60.21 C ATOM 272 NZ LYS A 16 -11.335 -1.941 3.919 1.00 73.20 N ATOM 0 H LYS A 16 -7.735 -5.305 7.522 1.00 24.21 H new ATOM 0 HA LYS A 16 -10.240 -6.131 6.197 1.00 32.12 H new ATOM 0 HB2 LYS A 16 -7.380 -6.155 5.137 1.00 64.12 H new ATOM 0 HB3 LYS A 16 -8.840 -6.414 4.204 1.00 64.12 H new ATOM 0 HG2 LYS A 16 -8.066 -3.814 5.572 1.00 32.40 H new ATOM 0 HG3 LYS A 16 -7.889 -4.156 3.863 1.00 32.40 H new ATOM 0 HD2 LYS A 16 -10.370 -4.501 3.702 1.00 43.41 H new ATOM 0 HD3 LYS A 16 -10.519 -4.079 5.397 1.00 43.41 H new ATOM 0 HE2 LYS A 16 -9.478 -1.858 4.921 1.00 60.21 H new ATOM 0 HE3 LYS A 16 -9.371 -2.282 3.224 1.00 60.21 H new ATOM 0 HZ1 LYS A 16 -11.303 -1.040 3.400 1.00 73.20 H new ATOM 0 HZ2 LYS A 16 -11.875 -2.639 3.369 1.00 73.20 H new ATOM 0 HZ3 LYS A 16 -11.796 -1.794 4.840 1.00 73.20 H new ATOM 286 N LEU A 17 -8.159 -8.041 7.642 1.00 33.30 N ATOM 287 CA LEU A 17 -7.723 -9.405 7.943 1.00 22.54 C ATOM 288 C LEU A 17 -8.882 -10.419 7.919 1.00 71.41 C ATOM 289 O LEU A 17 -8.831 -11.392 7.166 1.00 32.13 O ATOM 290 CB LEU A 17 -7.024 -9.449 9.304 1.00 23.34 C ATOM 291 CG LEU A 17 -6.260 -10.739 9.594 1.00 74.45 C ATOM 292 CD1 LEU A 17 -4.923 -10.736 8.873 1.00 40.23 C ATOM 293 CD2 LEU A 17 -6.068 -10.918 11.089 1.00 52.12 C ATOM 0 H LEU A 17 -7.831 -7.342 8.309 1.00 33.30 H new ATOM 0 HA LEU A 17 -7.025 -9.693 7.157 1.00 22.54 H new ATOM 0 HB2 LEU A 17 -6.330 -8.611 9.367 1.00 23.34 H new ATOM 0 HB3 LEU A 17 -7.771 -9.303 10.084 1.00 23.34 H new ATOM 0 HG LEU A 17 -6.845 -11.581 9.224 1.00 74.45 H new ATOM 0 HD11 LEU A 17 -4.391 -11.662 9.090 1.00 40.23 H new ATOM 0 HD12 LEU A 17 -5.089 -10.656 7.799 1.00 40.23 H new ATOM 0 HD13 LEU A 17 -4.329 -9.888 9.212 1.00 40.23 H new ATOM 0 HD21 LEU A 17 -5.522 -11.842 11.278 1.00 52.12 H new ATOM 0 HD22 LEU A 17 -5.503 -10.075 11.487 1.00 52.12 H new ATOM 0 HD23 LEU A 17 -7.041 -10.966 11.578 1.00 52.12 H new ATOM 305 N PRO A 18 -9.957 -10.217 8.720 1.00 62.43 N ATOM 306 CA PRO A 18 -11.044 -11.193 8.820 1.00 62.04 C ATOM 307 C PRO A 18 -12.081 -11.073 7.701 1.00 62.42 C ATOM 308 O PRO A 18 -13.157 -11.664 7.785 1.00 42.10 O ATOM 309 CB PRO A 18 -11.688 -10.849 10.161 1.00 70.41 C ATOM 310 CG PRO A 18 -11.475 -9.384 10.323 1.00 75.32 C ATOM 311 CD PRO A 18 -10.200 -9.043 9.591 1.00 73.51 C ATOM 0 HA PRO A 18 -10.669 -12.213 8.737 1.00 62.04 H new ATOM 0 HB2 PRO A 18 -12.749 -11.097 10.165 1.00 70.41 H new ATOM 0 HB3 PRO A 18 -11.227 -11.408 10.976 1.00 70.41 H new ATOM 0 HG2 PRO A 18 -12.316 -8.824 9.915 1.00 75.32 H new ATOM 0 HG3 PRO A 18 -11.398 -9.119 11.378 1.00 75.32 H new ATOM 0 HD2 PRO A 18 -10.308 -8.129 9.007 1.00 73.51 H new ATOM 0 HD3 PRO A 18 -9.374 -8.883 10.283 1.00 73.51 H new ATOM 319 N HIS A 19 -11.766 -10.319 6.659 1.00 63.22 N ATOM 320 CA HIS A 19 -12.734 -10.084 5.591 1.00 34.50 C ATOM 321 C HIS A 19 -12.218 -10.572 4.246 1.00 60.32 C ATOM 322 O HIS A 19 -13.004 -10.870 3.344 1.00 32.13 O ATOM 323 CB HIS A 19 -13.082 -8.596 5.494 1.00 74.12 C ATOM 324 CG HIS A 19 -13.582 -8.008 6.777 1.00 73.45 C ATOM 325 ND1 HIS A 19 -14.879 -8.181 7.194 1.00 61.52 N ATOM 326 CD2 HIS A 19 -12.919 -7.272 7.696 1.00 2.25 C ATOM 327 CE1 HIS A 19 -14.971 -7.555 8.356 1.00 42.45 C ATOM 328 NE2 HIS A 19 -13.807 -6.987 8.699 1.00 60.54 N ATOM 0 H HIS A 19 -10.863 -9.864 6.528 1.00 63.22 H new ATOM 0 HA HIS A 19 -13.631 -10.651 5.841 1.00 34.50 H new ATOM 0 HB2 HIS A 19 -12.198 -8.046 5.173 1.00 74.12 H new ATOM 0 HB3 HIS A 19 -13.840 -8.459 4.723 1.00 74.12 H new ATOM 0 HD2 HIS A 19 -11.884 -6.966 7.649 1.00 2.25 H new ATOM 0 HE1 HIS A 19 -15.870 -7.508 8.952 1.00 42.45 H new ATOM 0 HE2 HIS A 19 -13.619 -6.447 9.544 1.00 60.54 H new ATOM 336 N VAL A 20 -10.907 -10.663 4.112 1.00 54.24 N ATOM 337 CA VAL A 20 -10.302 -11.010 2.837 1.00 25.30 C ATOM 338 C VAL A 20 -9.932 -12.488 2.779 1.00 65.32 C ATOM 339 O VAL A 20 -9.780 -13.143 3.810 1.00 2.24 O ATOM 340 CB VAL A 20 -9.051 -10.154 2.561 1.00 41.21 C ATOM 341 CG1 VAL A 20 -9.405 -8.674 2.570 1.00 43.20 C ATOM 342 CG2 VAL A 20 -7.950 -10.452 3.568 1.00 75.33 C ATOM 0 H VAL A 20 -10.241 -10.502 4.868 1.00 54.24 H new ATOM 0 HA VAL A 20 -11.046 -10.806 2.067 1.00 25.30 H new ATOM 0 HB VAL A 20 -8.676 -10.413 1.571 1.00 41.21 H new ATOM 0 HG11 VAL A 20 -8.509 -8.084 2.373 1.00 43.20 H new ATOM 0 HG12 VAL A 20 -10.148 -8.473 1.799 1.00 43.20 H new ATOM 0 HG13 VAL A 20 -9.811 -8.403 3.545 1.00 43.20 H new ATOM 0 HG21 VAL A 20 -7.079 -9.834 3.349 1.00 75.33 H new ATOM 0 HG22 VAL A 20 -8.308 -10.232 4.574 1.00 75.33 H new ATOM 0 HG23 VAL A 20 -7.673 -11.504 3.504 1.00 75.33 H new ATOM 352 N SER A 21 -9.799 -13.002 1.563 1.00 73.54 N ATOM 353 CA SER A 21 -9.434 -14.391 1.342 1.00 4.20 C ATOM 354 C SER A 21 -7.916 -14.557 1.355 1.00 41.34 C ATOM 355 O SER A 21 -7.181 -13.569 1.387 1.00 65.12 O ATOM 356 CB SER A 21 -10.003 -14.861 0.003 1.00 14.34 C ATOM 357 OG SER A 21 -9.605 -13.990 -1.048 1.00 41.22 O ATOM 0 H SER A 21 -9.941 -12.468 0.706 1.00 73.54 H new ATOM 0 HA SER A 21 -9.851 -14.998 2.146 1.00 4.20 H new ATOM 0 HB2 SER A 21 -9.659 -15.874 -0.208 1.00 14.34 H new ATOM 0 HB3 SER A 21 -11.091 -14.899 0.058 1.00 14.34 H new ATOM 0 HG SER A 21 -9.978 -14.309 -1.896 1.00 41.22 H new ATOM 363 N GLU A 22 -7.453 -15.803 1.299 1.00 34.40 N ATOM 364 CA GLU A 22 -6.021 -16.100 1.320 1.00 63.42 C ATOM 365 C GLU A 22 -5.314 -15.509 0.107 1.00 12.24 C ATOM 366 O GLU A 22 -4.181 -15.038 0.204 1.00 63.43 O ATOM 367 CB GLU A 22 -5.787 -17.610 1.390 1.00 3.30 C ATOM 368 CG GLU A 22 -5.639 -18.139 2.807 1.00 31.33 C ATOM 369 CD GLU A 22 -6.724 -17.643 3.737 1.00 14.12 C ATOM 370 OE1 GLU A 22 -7.819 -18.244 3.754 1.00 44.53 O ATOM 371 OE2 GLU A 22 -6.487 -16.652 4.454 1.00 4.43 O ATOM 0 H GLU A 22 -8.051 -16.627 1.238 1.00 34.40 H new ATOM 0 HA GLU A 22 -5.599 -15.638 2.212 1.00 63.42 H new ATOM 0 HB2 GLU A 22 -6.619 -18.121 0.906 1.00 3.30 H new ATOM 0 HB3 GLU A 22 -4.889 -17.856 0.824 1.00 3.30 H new ATOM 0 HG2 GLU A 22 -5.656 -19.229 2.786 1.00 31.33 H new ATOM 0 HG3 GLU A 22 -4.667 -17.842 3.200 1.00 31.33 H new ATOM 378 N SER A 23 -5.985 -15.524 -1.036 1.00 43.43 N ATOM 379 CA SER A 23 -5.449 -14.897 -2.232 1.00 71.33 C ATOM 380 C SER A 23 -5.266 -13.396 -2.002 1.00 61.41 C ATOM 381 O SER A 23 -4.285 -12.799 -2.450 1.00 62.34 O ATOM 382 CB SER A 23 -6.380 -15.157 -3.414 1.00 10.42 C ATOM 383 OG SER A 23 -6.562 -16.550 -3.605 1.00 2.04 O ATOM 0 H SER A 23 -6.898 -15.962 -1.159 1.00 43.43 H new ATOM 0 HA SER A 23 -4.474 -15.328 -2.458 1.00 71.33 H new ATOM 0 HB2 SER A 23 -7.344 -14.679 -3.238 1.00 10.42 H new ATOM 0 HB3 SER A 23 -5.964 -14.711 -4.317 1.00 10.42 H new ATOM 0 HG SER A 23 -7.162 -16.700 -4.365 1.00 2.04 H new ATOM 389 N THR A 24 -6.193 -12.801 -1.261 1.00 24.43 N ATOM 390 CA THR A 24 -6.113 -11.390 -0.923 1.00 61.02 C ATOM 391 C THR A 24 -4.990 -11.156 0.089 1.00 42.21 C ATOM 392 O THR A 24 -4.316 -10.125 0.058 1.00 34.33 O ATOM 393 CB THR A 24 -7.443 -10.876 -0.344 1.00 13.14 C ATOM 394 OG1 THR A 24 -8.545 -11.378 -1.118 1.00 54.31 O ATOM 395 CG2 THR A 24 -7.476 -9.354 -0.345 1.00 32.22 C ATOM 0 H THR A 24 -7.011 -13.278 -0.883 1.00 24.43 H new ATOM 0 HA THR A 24 -5.902 -10.839 -1.840 1.00 61.02 H new ATOM 0 HB THR A 24 -7.528 -11.231 0.683 1.00 13.14 H new ATOM 0 HG1 THR A 24 -8.720 -12.310 -0.872 1.00 54.31 H new ATOM 0 HG21 THR A 24 -8.424 -9.010 0.068 1.00 32.22 H new ATOM 0 HG22 THR A 24 -6.656 -8.972 0.263 1.00 32.22 H new ATOM 0 HG23 THR A 24 -7.372 -8.988 -1.367 1.00 32.22 H new ATOM 403 N LYS A 25 -4.794 -12.132 0.981 1.00 1.25 N ATOM 404 CA LYS A 25 -3.679 -12.110 1.925 1.00 5.34 C ATOM 405 C LYS A 25 -2.367 -11.968 1.158 1.00 41.51 C ATOM 406 O LYS A 25 -1.525 -11.134 1.492 1.00 24.41 O ATOM 407 CB LYS A 25 -3.657 -13.401 2.760 1.00 2.03 C ATOM 408 CG LYS A 25 -4.939 -13.667 3.539 1.00 2.03 C ATOM 409 CD LYS A 25 -4.852 -13.176 4.975 1.00 62.14 C ATOM 410 CE LYS A 25 -3.974 -14.077 5.831 1.00 44.14 C ATOM 411 NZ LYS A 25 -4.558 -15.438 5.988 1.00 22.22 N ATOM 0 H LYS A 25 -5.398 -12.950 1.067 1.00 1.25 H new ATOM 0 HA LYS A 25 -3.802 -11.262 2.599 1.00 5.34 H new ATOM 0 HB2 LYS A 25 -3.467 -14.245 2.097 1.00 2.03 H new ATOM 0 HB3 LYS A 25 -2.824 -13.352 3.461 1.00 2.03 H new ATOM 0 HG2 LYS A 25 -5.774 -13.176 3.039 1.00 2.03 H new ATOM 0 HG3 LYS A 25 -5.149 -14.737 3.535 1.00 2.03 H new ATOM 0 HD2 LYS A 25 -4.453 -12.162 4.988 1.00 62.14 H new ATOM 0 HD3 LYS A 25 -5.853 -13.130 5.404 1.00 62.14 H new ATOM 0 HE2 LYS A 25 -2.986 -14.156 5.378 1.00 44.14 H new ATOM 0 HE3 LYS A 25 -3.839 -13.625 6.813 1.00 44.14 H new ATOM 0 HZ1 LYS A 25 -4.788 -15.604 6.989 1.00 22.22 H new ATOM 0 HZ2 LYS A 25 -5.424 -15.512 5.417 1.00 22.22 H new ATOM 0 HZ3 LYS A 25 -3.870 -16.150 5.668 1.00 22.22 H new ATOM 425 N ARG A 26 -2.226 -12.772 0.105 1.00 63.21 N ATOM 426 CA ARG A 26 -1.046 -12.735 -0.756 1.00 72.42 C ATOM 427 C ARG A 26 -0.848 -11.350 -1.368 1.00 52.33 C ATOM 428 O ARG A 26 0.277 -10.853 -1.443 1.00 53.12 O ATOM 429 CB ARG A 26 -1.168 -13.780 -1.871 1.00 4.23 C ATOM 430 CG ARG A 26 -1.147 -15.218 -1.374 1.00 4.22 C ATOM 431 CD ARG A 26 0.215 -15.604 -0.814 1.00 43.42 C ATOM 432 NE ARG A 26 1.280 -15.423 -1.802 1.00 22.21 N ATOM 433 CZ ARG A 26 2.063 -16.405 -2.249 1.00 35.43 C ATOM 434 NH1 ARG A 26 1.914 -17.641 -1.787 1.00 20.21 N ATOM 435 NH2 ARG A 26 2.995 -16.146 -3.161 1.00 31.12 N ATOM 0 H ARG A 26 -2.922 -13.463 -0.174 1.00 63.21 H new ATOM 0 HA ARG A 26 -0.178 -12.964 -0.138 1.00 72.42 H new ATOM 0 HB2 ARG A 26 -2.096 -13.608 -2.417 1.00 4.23 H new ATOM 0 HB3 ARG A 26 -0.351 -13.639 -2.579 1.00 4.23 H new ATOM 0 HG2 ARG A 26 -1.907 -15.347 -0.603 1.00 4.22 H new ATOM 0 HG3 ARG A 26 -1.407 -15.889 -2.193 1.00 4.22 H new ATOM 0 HD2 ARG A 26 0.430 -15.000 0.067 1.00 43.42 H new ATOM 0 HD3 ARG A 26 0.193 -16.644 -0.490 1.00 43.42 H new ATOM 0 HE ARG A 26 1.433 -14.485 -2.172 1.00 22.21 H new ATOM 0 HH11 ARG A 26 1.199 -17.841 -1.088 1.00 20.21 H new ATOM 0 HH12 ARG A 26 2.515 -18.390 -2.131 1.00 20.21 H new ATOM 0 HH21 ARG A 26 3.110 -15.197 -3.517 1.00 31.12 H new ATOM 0 HH22 ARG A 26 3.595 -16.896 -3.504 1.00 31.12 H new ATOM 449 N HIS A 27 -1.942 -10.733 -1.804 1.00 31.33 N ATOM 450 CA HIS A 27 -1.883 -9.392 -2.382 1.00 33.43 C ATOM 451 C HIS A 27 -1.377 -8.378 -1.365 1.00 1.23 C ATOM 452 O HIS A 27 -0.497 -7.574 -1.668 1.00 2.22 O ATOM 453 CB HIS A 27 -3.251 -8.955 -2.912 1.00 1.33 C ATOM 454 CG HIS A 27 -3.596 -9.512 -4.259 1.00 51.32 C ATOM 455 ND1 HIS A 27 -4.332 -10.604 -4.583 1.00 73.30 N flip ATOM 456 CD2 HIS A 27 -3.178 -8.898 -5.415 1.00 52.30 C flip ATOM 457 CE1 HIS A 27 -4.373 -10.661 -5.951 1.00 70.50 C flip ATOM 458 NE2 HIS A 27 -3.668 -9.620 -6.409 1.00 13.35 N flip ATOM 0 H HIS A 27 -2.878 -11.137 -1.769 1.00 31.33 H new ATOM 0 HA HIS A 27 -1.183 -9.431 -3.216 1.00 33.43 H new ATOM 0 HB2 HIS A 27 -4.018 -9.258 -2.199 1.00 1.33 H new ATOM 0 HB3 HIS A 27 -3.277 -7.867 -2.964 1.00 1.33 H new ATOM 0 HD1 HIS A 27 -4.770 -11.257 -3.933 1.00 73.30 H new ATOM 0 HD2 HIS A 27 -2.573 -8.007 -5.496 1.00 52.30 H new ATOM 0 HE1 HIS A 27 -4.879 -11.406 -6.547 1.00 70.50 H new ATOM 466 N TYR A 28 -1.927 -8.424 -0.156 1.00 12.15 N ATOM 467 CA TYR A 28 -1.495 -7.520 0.902 1.00 72.31 C ATOM 468 C TYR A 28 -0.050 -7.793 1.297 1.00 24.11 C ATOM 469 O TYR A 28 0.695 -6.863 1.601 1.00 52.52 O ATOM 470 CB TYR A 28 -2.408 -7.626 2.118 1.00 61.42 C ATOM 471 CG TYR A 28 -3.686 -6.829 1.996 1.00 54.02 C ATOM 472 CD1 TYR A 28 -3.722 -5.489 2.363 1.00 31.33 C ATOM 473 CD2 TYR A 28 -4.858 -7.411 1.534 1.00 51.10 C ATOM 474 CE1 TYR A 28 -4.889 -4.755 2.276 1.00 14.32 C ATOM 475 CE2 TYR A 28 -6.029 -6.683 1.440 1.00 54.10 C ATOM 476 CZ TYR A 28 -6.039 -5.356 1.814 1.00 41.05 C ATOM 477 OH TYR A 28 -7.206 -4.631 1.730 1.00 55.44 O ATOM 0 H TYR A 28 -2.667 -9.072 0.114 1.00 12.15 H new ATOM 0 HA TYR A 28 -1.558 -6.503 0.515 1.00 72.31 H new ATOM 0 HB2 TYR A 28 -2.659 -8.674 2.281 1.00 61.42 H new ATOM 0 HB3 TYR A 28 -1.863 -7.288 3.000 1.00 61.42 H new ATOM 0 HD1 TYR A 28 -2.822 -5.013 2.723 1.00 31.33 H new ATOM 0 HD2 TYR A 28 -4.855 -8.451 1.243 1.00 51.10 H new ATOM 0 HE1 TYR A 28 -4.900 -3.715 2.569 1.00 14.32 H new ATOM 0 HE2 TYR A 28 -6.931 -7.151 1.076 1.00 54.10 H new ATOM 0 HH TYR A 28 -7.207 -4.108 0.901 1.00 55.44 H new ATOM 487 N GLU A 29 0.342 -9.069 1.296 1.00 12.20 N ATOM 488 CA GLU A 29 1.739 -9.437 1.505 1.00 42.33 C ATOM 489 C GLU A 29 2.613 -8.743 0.475 1.00 25.50 C ATOM 490 O GLU A 29 3.558 -8.039 0.821 1.00 22.24 O ATOM 491 CB GLU A 29 1.945 -10.947 1.384 1.00 61.21 C ATOM 492 CG GLU A 29 1.398 -11.755 2.545 1.00 24.52 C ATOM 493 CD GLU A 29 1.677 -13.235 2.378 1.00 25.31 C ATOM 494 OE1 GLU A 29 2.865 -13.613 2.312 1.00 24.42 O ATOM 495 OE2 GLU A 29 0.715 -14.023 2.284 1.00 44.21 O ATOM 0 H GLU A 29 -0.287 -9.859 1.153 1.00 12.20 H new ATOM 0 HA GLU A 29 2.015 -9.125 2.512 1.00 42.33 H new ATOM 0 HB2 GLU A 29 1.473 -11.292 0.464 1.00 61.21 H new ATOM 0 HB3 GLU A 29 3.012 -11.148 1.289 1.00 61.21 H new ATOM 0 HG2 GLU A 29 1.844 -11.403 3.475 1.00 24.52 H new ATOM 0 HG3 GLU A 29 0.323 -11.594 2.626 1.00 24.52 H new ATOM 502 N SER A 30 2.264 -8.937 -0.793 1.00 51.12 N ATOM 503 CA SER A 30 3.002 -8.355 -1.902 1.00 23.13 C ATOM 504 C SER A 30 3.110 -6.843 -1.730 1.00 13.35 C ATOM 505 O SER A 30 4.197 -6.275 -1.834 1.00 23.03 O ATOM 506 CB SER A 30 2.306 -8.697 -3.225 1.00 1.32 C ATOM 507 OG SER A 30 3.095 -8.319 -4.340 1.00 24.10 O ATOM 0 H SER A 30 1.463 -9.501 -1.077 1.00 51.12 H new ATOM 0 HA SER A 30 4.009 -8.771 -1.917 1.00 23.13 H new ATOM 0 HB2 SER A 30 2.106 -9.768 -3.266 1.00 1.32 H new ATOM 0 HB3 SER A 30 1.342 -8.191 -3.272 1.00 1.32 H new ATOM 0 HG SER A 30 2.624 -8.551 -5.168 1.00 24.10 H new ATOM 513 N ALA A 31 1.983 -6.209 -1.435 1.00 43.15 N ATOM 514 CA ALA A 31 1.940 -4.773 -1.210 1.00 31.45 C ATOM 515 C ALA A 31 2.899 -4.365 -0.094 1.00 20.30 C ATOM 516 O ALA A 31 3.791 -3.547 -0.304 1.00 31.15 O ATOM 517 CB ALA A 31 0.521 -4.342 -0.877 1.00 1.41 C ATOM 0 H ALA A 31 1.079 -6.673 -1.346 1.00 43.15 H new ATOM 0 HA ALA A 31 2.257 -4.271 -2.124 1.00 31.45 H new ATOM 0 HB1 ALA A 31 0.498 -3.265 -0.710 1.00 1.41 H new ATOM 0 HB2 ALA A 31 -0.140 -4.595 -1.706 1.00 1.41 H new ATOM 0 HB3 ALA A 31 0.186 -4.856 0.024 1.00 1.41 H new ATOM 523 N TYR A 32 2.726 -4.972 1.074 1.00 51.31 N ATOM 524 CA TYR A 32 3.531 -4.651 2.250 1.00 24.25 C ATOM 525 C TYR A 32 5.029 -4.836 1.983 1.00 42.03 C ATOM 526 O TYR A 32 5.842 -3.981 2.337 1.00 62.11 O ATOM 527 CB TYR A 32 3.081 -5.524 3.429 1.00 32.44 C ATOM 528 CG TYR A 32 3.987 -5.455 4.638 1.00 2.42 C ATOM 529 CD1 TYR A 32 4.202 -4.256 5.306 1.00 32.34 C ATOM 530 CD2 TYR A 32 4.635 -6.591 5.102 1.00 3.21 C ATOM 531 CE1 TYR A 32 5.038 -4.193 6.405 1.00 21.11 C ATOM 532 CE2 TYR A 32 5.473 -6.535 6.199 1.00 63.22 C ATOM 533 CZ TYR A 32 5.672 -5.336 6.846 1.00 10.14 C ATOM 534 OH TYR A 32 6.514 -5.278 7.935 1.00 4.32 O ATOM 0 H TYR A 32 2.027 -5.698 1.234 1.00 51.31 H new ATOM 0 HA TYR A 32 3.377 -3.600 2.494 1.00 24.25 H new ATOM 0 HB2 TYR A 32 2.076 -5.223 3.725 1.00 32.44 H new ATOM 0 HB3 TYR A 32 3.018 -6.560 3.095 1.00 32.44 H new ATOM 0 HD1 TYR A 32 3.708 -3.359 4.961 1.00 32.34 H new ATOM 0 HD2 TYR A 32 4.482 -7.534 4.598 1.00 3.21 H new ATOM 0 HE1 TYR A 32 5.194 -3.254 6.916 1.00 21.11 H new ATOM 0 HE2 TYR A 32 5.970 -7.428 6.548 1.00 63.22 H new ATOM 0 HH TYR A 32 6.878 -6.170 8.115 1.00 4.32 H new ATOM 544 N LYS A 33 5.387 -5.941 1.345 1.00 74.32 N ATOM 545 CA LYS A 33 6.790 -6.258 1.097 1.00 51.33 C ATOM 546 C LYS A 33 7.399 -5.313 0.085 1.00 45.54 C ATOM 547 O LYS A 33 8.561 -4.921 0.211 1.00 31.15 O ATOM 548 CB LYS A 33 6.933 -7.699 0.626 1.00 53.24 C ATOM 549 CG LYS A 33 6.349 -8.670 1.619 1.00 53.10 C ATOM 550 CD LYS A 33 6.471 -10.116 1.171 1.00 24.11 C ATOM 551 CE LYS A 33 7.912 -10.591 1.192 1.00 34.35 C ATOM 552 NZ LYS A 33 8.004 -12.065 1.048 1.00 44.32 N ATOM 0 H LYS A 33 4.728 -6.634 0.989 1.00 74.32 H new ATOM 0 HA LYS A 33 7.330 -6.137 2.036 1.00 51.33 H new ATOM 0 HB2 LYS A 33 6.435 -7.819 -0.336 1.00 53.24 H new ATOM 0 HB3 LYS A 33 7.987 -7.928 0.470 1.00 53.24 H new ATOM 0 HG2 LYS A 33 6.852 -8.548 2.578 1.00 53.10 H new ATOM 0 HG3 LYS A 33 5.297 -8.431 1.778 1.00 53.10 H new ATOM 0 HD2 LYS A 33 5.869 -10.750 1.822 1.00 24.11 H new ATOM 0 HD3 LYS A 33 6.068 -10.220 0.163 1.00 24.11 H new ATOM 0 HE2 LYS A 33 8.466 -10.111 0.385 1.00 34.35 H new ATOM 0 HE3 LYS A 33 8.382 -10.286 2.127 1.00 34.35 H new ATOM 0 HZ1 LYS A 33 9.003 -12.354 1.067 1.00 44.32 H new ATOM 0 HZ2 LYS A 33 7.496 -12.523 1.832 1.00 44.32 H new ATOM 0 HZ3 LYS A 33 7.577 -12.353 0.144 1.00 44.32 H new ATOM 566 N HIS A 34 6.622 -4.937 -0.917 1.00 1.12 N ATOM 567 CA HIS A 34 7.120 -4.013 -1.908 1.00 53.51 C ATOM 568 C HIS A 34 7.188 -2.604 -1.332 1.00 15.52 C ATOM 569 O HIS A 34 8.091 -1.829 -1.659 1.00 1.34 O ATOM 570 CB HIS A 34 6.269 -4.033 -3.181 1.00 35.03 C ATOM 571 CG HIS A 34 6.567 -5.195 -4.081 1.00 32.42 C ATOM 572 ND1 HIS A 34 5.836 -6.303 -4.355 1.00 22.23 N flip ATOM 573 CD2 HIS A 34 7.718 -5.309 -4.827 1.00 72.01 C flip ATOM 574 CE1 HIS A 34 6.528 -7.097 -5.264 1.00 64.23 C flip ATOM 575 NE2 HIS A 34 7.653 -6.454 -5.513 1.00 34.34 N flip ATOM 0 H HIS A 34 5.663 -5.253 -1.060 1.00 1.12 H new ATOM 0 HA HIS A 34 8.126 -4.332 -2.182 1.00 53.51 H new ATOM 0 HB2 HIS A 34 5.215 -4.059 -2.904 1.00 35.03 H new ATOM 0 HB3 HIS A 34 6.431 -3.106 -3.731 1.00 35.03 H new ATOM 0 HD1 HIS A 34 4.922 -6.520 -3.957 1.00 22.23 H new ATOM 0 HD2 HIS A 34 8.531 -4.598 -4.853 1.00 72.01 H new ATOM 0 HE1 HIS A 34 6.211 -8.042 -5.679 1.00 64.23 H new ATOM 583 N ILE A 35 6.232 -2.281 -0.468 1.00 41.31 N ATOM 584 CA ILE A 35 6.231 -1.003 0.226 1.00 2.01 C ATOM 585 C ILE A 35 7.459 -0.870 1.114 1.00 33.20 C ATOM 586 O ILE A 35 8.183 0.109 1.021 1.00 43.14 O ATOM 587 CB ILE A 35 4.958 -0.809 1.079 1.00 2.31 C ATOM 588 CG1 ILE A 35 3.748 -0.559 0.174 1.00 72.34 C ATOM 589 CG2 ILE A 35 5.146 0.340 2.066 1.00 32.22 C ATOM 590 CD1 ILE A 35 2.435 -0.487 0.920 1.00 74.01 C ATOM 0 H ILE A 35 5.448 -2.889 -0.233 1.00 41.31 H new ATOM 0 HA ILE A 35 6.250 -0.228 -0.541 1.00 2.01 H new ATOM 0 HB ILE A 35 4.777 -1.719 1.651 1.00 2.31 H new ATOM 0 HG12 ILE A 35 3.899 0.374 -0.369 1.00 72.34 H new ATOM 0 HG13 ILE A 35 3.690 -1.355 -0.569 1.00 72.34 H new ATOM 0 HG21 ILE A 35 4.239 0.463 2.659 1.00 32.22 H new ATOM 0 HG22 ILE A 35 5.984 0.119 2.727 1.00 32.22 H new ATOM 0 HG23 ILE A 35 5.349 1.260 1.519 1.00 32.22 H new ATOM 0 HD11 ILE A 35 1.624 -0.308 0.214 1.00 74.01 H new ATOM 0 HD12 ILE A 35 2.261 -1.428 1.441 1.00 74.01 H new ATOM 0 HD13 ILE A 35 2.472 0.327 1.644 1.00 74.01 H new ATOM 602 N LYS A 36 7.705 -1.877 1.949 1.00 22.00 N ATOM 603 CA LYS A 36 8.821 -1.832 2.891 1.00 43.32 C ATOM 604 C LYS A 36 10.161 -1.803 2.151 1.00 3.32 C ATOM 605 O LYS A 36 11.157 -1.316 2.680 1.00 61.01 O ATOM 606 CB LYS A 36 8.760 -3.012 3.872 1.00 64.24 C ATOM 607 CG LYS A 36 9.100 -4.363 3.264 1.00 24.43 C ATOM 608 CD LYS A 36 8.787 -5.503 4.222 1.00 23.23 C ATOM 609 CE LYS A 36 9.530 -5.368 5.547 1.00 50.32 C ATOM 610 NZ LYS A 36 11.004 -5.447 5.378 1.00 34.33 N ATOM 0 H LYS A 36 7.149 -2.731 1.993 1.00 22.00 H new ATOM 0 HA LYS A 36 8.736 -0.911 3.468 1.00 43.32 H new ATOM 0 HB2 LYS A 36 9.446 -2.817 4.696 1.00 64.24 H new ATOM 0 HB3 LYS A 36 7.757 -3.062 4.297 1.00 64.24 H new ATOM 0 HG2 LYS A 36 8.538 -4.499 2.340 1.00 24.43 H new ATOM 0 HG3 LYS A 36 10.157 -4.388 3.000 1.00 24.43 H new ATOM 0 HD2 LYS A 36 7.714 -5.531 4.411 1.00 23.23 H new ATOM 0 HD3 LYS A 36 9.053 -6.451 3.754 1.00 23.23 H new ATOM 0 HE2 LYS A 36 9.270 -4.417 6.011 1.00 50.32 H new ATOM 0 HE3 LYS A 36 9.202 -6.154 6.227 1.00 50.32 H new ATOM 0 HZ1 LYS A 36 11.462 -5.418 6.311 1.00 34.33 H new ATOM 0 HZ2 LYS A 36 11.251 -6.336 4.898 1.00 34.33 H new ATOM 0 HZ3 LYS A 36 11.332 -4.642 4.807 1.00 34.33 H new ATOM 624 N ASP A 37 10.179 -2.345 0.938 1.00 72.23 N ATOM 625 CA ASP A 37 11.373 -2.315 0.092 1.00 34.24 C ATOM 626 C ASP A 37 11.633 -0.912 -0.452 1.00 0.52 C ATOM 627 O ASP A 37 12.746 -0.394 -0.352 1.00 4.22 O ATOM 628 CB ASP A 37 11.220 -3.308 -1.065 1.00 54.42 C ATOM 629 CG ASP A 37 12.279 -3.134 -2.137 1.00 42.11 C ATOM 630 OD1 ASP A 37 13.400 -3.652 -1.964 1.00 1.34 O ATOM 631 OD2 ASP A 37 11.981 -2.503 -3.171 1.00 52.03 O ATOM 0 H ASP A 37 9.378 -2.813 0.515 1.00 72.23 H new ATOM 0 HA ASP A 37 12.228 -2.602 0.704 1.00 34.24 H new ATOM 0 HB2 ASP A 37 11.270 -4.324 -0.674 1.00 54.42 H new ATOM 0 HB3 ASP A 37 10.234 -3.187 -1.513 1.00 54.42 H new ATOM 636 N HIS A 38 10.604 -0.296 -1.024 1.00 30.05 N ATOM 637 CA HIS A 38 10.746 1.038 -1.606 1.00 25.15 C ATOM 638 C HIS A 38 10.779 2.102 -0.521 1.00 43.24 C ATOM 639 O HIS A 38 11.455 3.122 -0.656 1.00 5.41 O ATOM 640 CB HIS A 38 9.611 1.331 -2.591 1.00 71.52 C ATOM 641 CG HIS A 38 9.744 0.616 -3.901 1.00 15.31 C ATOM 642 ND1 HIS A 38 9.643 -0.699 -4.207 1.00 72.13 N flip ATOM 643 CD2 HIS A 38 9.998 1.261 -5.092 1.00 64.22 C flip ATOM 644 CE1 HIS A 38 9.833 -0.823 -5.560 1.00 14.13 C flip ATOM 645 NE2 HIS A 38 10.045 0.375 -6.067 1.00 3.44 N flip ATOM 0 H HIS A 38 9.668 -0.694 -1.098 1.00 30.05 H new ATOM 0 HA HIS A 38 11.691 1.062 -2.148 1.00 25.15 H new ATOM 0 HB2 HIS A 38 8.663 1.052 -2.131 1.00 71.52 H new ATOM 0 HB3 HIS A 38 9.572 2.404 -2.776 1.00 71.52 H new ATOM 0 HD1 HIS A 38 9.459 -1.459 -3.551 1.00 72.13 H new ATOM 0 HD2 HIS A 38 10.137 2.326 -5.208 1.00 64.22 H new ATOM 0 HE1 HIS A 38 9.812 -1.748 -6.117 1.00 14.13 H new ATOM 654 N PHE A 39 10.045 1.858 0.548 1.00 15.44 N ATOM 655 CA PHE A 39 9.998 2.764 1.681 1.00 4.23 C ATOM 656 C PHE A 39 10.450 2.028 2.936 1.00 51.34 C ATOM 657 O PHE A 39 9.652 1.383 3.614 1.00 24.10 O ATOM 658 CB PHE A 39 8.582 3.314 1.870 1.00 23.11 C ATOM 659 CG PHE A 39 8.017 3.953 0.631 1.00 10.11 C ATOM 660 CD1 PHE A 39 8.494 5.176 0.186 1.00 74.32 C ATOM 661 CD2 PHE A 39 7.013 3.326 -0.092 1.00 40.21 C ATOM 662 CE1 PHE A 39 7.982 5.763 -0.955 1.00 55.11 C ATOM 663 CE2 PHE A 39 6.497 3.909 -1.234 1.00 20.12 C ATOM 664 CZ PHE A 39 6.982 5.129 -1.666 1.00 72.23 C ATOM 0 H PHE A 39 9.464 1.026 0.656 1.00 15.44 H new ATOM 0 HA PHE A 39 10.667 3.604 1.494 1.00 4.23 H new ATOM 0 HB2 PHE A 39 7.924 2.503 2.183 1.00 23.11 H new ATOM 0 HB3 PHE A 39 8.590 4.047 2.676 1.00 23.11 H new ATOM 0 HD1 PHE A 39 9.276 5.676 0.738 1.00 74.32 H new ATOM 0 HD2 PHE A 39 6.631 2.372 0.241 1.00 40.21 H new ATOM 0 HE1 PHE A 39 8.363 6.716 -1.290 1.00 55.11 H new ATOM 0 HE2 PHE A 39 5.715 3.411 -1.789 1.00 20.12 H new ATOM 0 HZ PHE A 39 6.580 5.586 -2.558 1.00 72.23 H new ATOM 674 N ARG A 40 11.739 2.119 3.221 1.00 62.30 N ATOM 675 CA ARG A 40 12.351 1.355 4.304 1.00 12.13 C ATOM 676 C ARG A 40 11.954 1.899 5.675 1.00 53.43 C ATOM 677 O ARG A 40 11.472 1.154 6.530 1.00 64.03 O ATOM 678 CB ARG A 40 13.872 1.364 4.149 1.00 12.45 C ATOM 679 CG ARG A 40 14.355 0.703 2.865 1.00 52.23 C ATOM 680 CD ARG A 40 14.137 -0.798 2.894 1.00 21.12 C ATOM 681 NE ARG A 40 14.467 -1.427 1.619 1.00 24.11 N ATOM 682 CZ ARG A 40 14.769 -2.715 1.480 1.00 43.04 C ATOM 683 NH1 ARG A 40 14.848 -3.507 2.540 1.00 0.41 N ATOM 684 NH2 ARG A 40 15.006 -3.210 0.276 1.00 14.43 N ATOM 0 H ARG A 40 12.389 2.719 2.714 1.00 62.30 H new ATOM 0 HA ARG A 40 11.986 0.330 4.241 1.00 12.13 H new ATOM 0 HB2 ARG A 40 14.226 2.395 4.173 1.00 12.45 H new ATOM 0 HB3 ARG A 40 14.319 0.853 5.002 1.00 12.45 H new ATOM 0 HG2 ARG A 40 13.827 1.132 2.013 1.00 52.23 H new ATOM 0 HG3 ARG A 40 15.415 0.915 2.722 1.00 52.23 H new ATOM 0 HD2 ARG A 40 14.748 -1.237 3.683 1.00 21.12 H new ATOM 0 HD3 ARG A 40 13.097 -1.008 3.142 1.00 21.12 H new ATOM 0 HE ARG A 40 14.466 -0.843 0.783 1.00 24.11 H new ATOM 0 HH11 ARG A 40 14.677 -3.130 3.472 1.00 0.41 H new ATOM 0 HH12 ARG A 40 15.080 -4.493 2.423 1.00 0.41 H new ATOM 0 HH21 ARG A 40 14.957 -2.604 -0.543 1.00 14.43 H new ATOM 0 HH22 ARG A 40 15.238 -4.197 0.167 1.00 14.43 H new ATOM 698 N HIS A 41 12.172 3.190 5.889 1.00 3.33 N ATOM 699 CA HIS A 41 11.820 3.833 7.152 1.00 24.02 C ATOM 700 C HIS A 41 11.018 5.098 6.892 1.00 50.22 C ATOM 701 O HIS A 41 10.964 6.005 7.723 1.00 22.21 O ATOM 702 CB HIS A 41 13.073 4.154 7.971 1.00 4.23 C ATOM 703 CG HIS A 41 13.657 2.956 8.659 1.00 43.41 C ATOM 704 ND1 HIS A 41 15.008 2.787 8.875 1.00 61.25 N ATOM 705 CD2 HIS A 41 13.056 1.873 9.201 1.00 11.24 C ATOM 706 CE1 HIS A 41 15.210 1.654 9.523 1.00 21.43 C ATOM 707 NE2 HIS A 41 14.040 1.080 9.733 1.00 23.52 N ATOM 0 H HIS A 41 12.593 3.816 5.202 1.00 3.33 H new ATOM 0 HA HIS A 41 11.207 3.140 7.729 1.00 24.02 H new ATOM 0 HB2 HIS A 41 13.826 4.590 7.314 1.00 4.23 H new ATOM 0 HB3 HIS A 41 12.827 4.909 8.718 1.00 4.23 H new ATOM 0 HD2 HIS A 41 11.995 1.670 9.213 1.00 11.24 H new ATOM 0 HE1 HIS A 41 16.169 1.264 9.829 1.00 21.43 H new ATOM 0 HE2 HIS A 41 13.892 0.192 10.213 1.00 23.52 H new ATOM 716 N LYS A 42 10.387 5.136 5.731 1.00 24.23 N ATOM 717 CA LYS A 42 9.564 6.265 5.334 1.00 71.40 C ATOM 718 C LYS A 42 8.347 6.356 6.242 1.00 34.41 C ATOM 719 O LYS A 42 7.653 5.360 6.457 1.00 12.33 O ATOM 720 CB LYS A 42 9.116 6.087 3.884 1.00 4.24 C ATOM 721 CG LYS A 42 9.160 7.357 3.052 1.00 25.23 C ATOM 722 CD LYS A 42 10.576 7.891 2.931 1.00 23.41 C ATOM 723 CE LYS A 42 10.747 8.760 1.698 1.00 72.21 C ATOM 724 NZ LYS A 42 9.746 9.856 1.628 1.00 12.45 N ATOM 0 H LYS A 42 10.430 4.388 5.039 1.00 24.23 H new ATOM 0 HA LYS A 42 10.144 7.184 5.421 1.00 71.40 H new ATOM 0 HB2 LYS A 42 9.748 5.336 3.411 1.00 4.24 H new ATOM 0 HB3 LYS A 42 8.098 5.698 3.876 1.00 4.24 H new ATOM 0 HG2 LYS A 42 8.759 7.157 2.058 1.00 25.23 H new ATOM 0 HG3 LYS A 42 8.522 8.114 3.507 1.00 25.23 H new ATOM 0 HD2 LYS A 42 10.824 8.470 3.821 1.00 23.41 H new ATOM 0 HD3 LYS A 42 11.277 7.057 2.888 1.00 23.41 H new ATOM 0 HE2 LYS A 42 11.750 9.188 1.696 1.00 72.21 H new ATOM 0 HE3 LYS A 42 10.663 8.139 0.806 1.00 72.21 H new ATOM 0 HZ1 LYS A 42 10.189 10.705 1.222 1.00 12.45 H new ATOM 0 HZ2 LYS A 42 8.949 9.561 1.029 1.00 12.45 H new ATOM 0 HZ3 LYS A 42 9.399 10.071 2.585 1.00 12.45 H new ATOM 738 N LEU A 43 8.102 7.535 6.791 1.00 63.13 N ATOM 739 CA LEU A 43 6.949 7.744 7.653 1.00 4.44 C ATOM 740 C LEU A 43 5.661 7.720 6.839 1.00 22.05 C ATOM 741 O LEU A 43 5.677 7.945 5.629 1.00 65.40 O ATOM 742 CB LEU A 43 7.068 9.070 8.407 1.00 41.34 C ATOM 743 CG LEU A 43 8.204 9.140 9.430 1.00 63.23 C ATOM 744 CD1 LEU A 43 8.241 10.510 10.090 1.00 43.31 C ATOM 745 CD2 LEU A 43 8.046 8.049 10.479 1.00 22.32 C ATOM 0 H LEU A 43 8.685 8.361 6.656 1.00 63.13 H new ATOM 0 HA LEU A 43 6.920 6.933 8.380 1.00 4.44 H new ATOM 0 HB2 LEU A 43 7.205 9.871 7.681 1.00 41.34 H new ATOM 0 HB3 LEU A 43 6.126 9.263 8.920 1.00 41.34 H new ATOM 0 HG LEU A 43 9.148 8.982 8.908 1.00 63.23 H new ATOM 0 HD11 LEU A 43 9.055 10.543 10.815 1.00 43.31 H new ATOM 0 HD12 LEU A 43 8.400 11.276 9.331 1.00 43.31 H new ATOM 0 HD13 LEU A 43 7.295 10.695 10.598 1.00 43.31 H new ATOM 0 HD21 LEU A 43 8.863 8.114 11.198 1.00 22.32 H new ATOM 0 HD22 LEU A 43 7.096 8.177 10.997 1.00 22.32 H new ATOM 0 HD23 LEU A 43 8.066 7.073 9.995 1.00 22.32 H new ATOM 757 N LEU A 44 4.551 7.468 7.520 1.00 42.40 N ATOM 758 CA LEU A 44 3.246 7.359 6.877 1.00 12.34 C ATOM 759 C LEU A 44 2.911 8.648 6.133 1.00 23.54 C ATOM 760 O LEU A 44 2.327 8.629 5.055 1.00 43.43 O ATOM 761 CB LEU A 44 2.188 7.030 7.949 1.00 55.11 C ATOM 762 CG LEU A 44 0.744 6.791 7.471 1.00 41.42 C ATOM 763 CD1 LEU A 44 -0.002 8.098 7.270 1.00 50.22 C ATOM 764 CD2 LEU A 44 0.727 5.969 6.192 1.00 24.20 C ATOM 0 H LEU A 44 4.528 7.334 8.531 1.00 42.40 H new ATOM 0 HA LEU A 44 3.259 6.556 6.140 1.00 12.34 H new ATOM 0 HB2 LEU A 44 2.517 6.139 8.485 1.00 55.11 H new ATOM 0 HB3 LEU A 44 2.173 7.848 8.669 1.00 55.11 H new ATOM 0 HG LEU A 44 0.231 6.231 8.253 1.00 41.42 H new ATOM 0 HD11 LEU A 44 -1.017 7.889 6.933 1.00 50.22 H new ATOM 0 HD12 LEU A 44 -0.038 8.645 8.212 1.00 50.22 H new ATOM 0 HD13 LEU A 44 0.513 8.699 6.521 1.00 50.22 H new ATOM 0 HD21 LEU A 44 -0.304 5.813 5.873 1.00 24.20 H new ATOM 0 HD22 LEU A 44 1.272 6.500 5.411 1.00 24.20 H new ATOM 0 HD23 LEU A 44 1.201 5.004 6.373 1.00 24.20 H new ATOM 776 N LYS A 45 3.324 9.766 6.702 1.00 14.22 N ATOM 777 CA LYS A 45 3.013 11.062 6.128 1.00 52.02 C ATOM 778 C LYS A 45 4.180 11.601 5.307 1.00 75.44 C ATOM 779 O LYS A 45 4.142 12.741 4.850 1.00 54.03 O ATOM 780 CB LYS A 45 2.632 12.041 7.244 1.00 61.55 C ATOM 781 CG LYS A 45 3.702 12.214 8.316 1.00 64.33 C ATOM 782 CD LYS A 45 4.691 13.312 7.955 1.00 72.03 C ATOM 783 CE LYS A 45 5.627 13.620 9.108 1.00 10.45 C ATOM 784 NZ LYS A 45 6.628 14.658 8.748 1.00 0.54 N ATOM 0 H LYS A 45 3.875 9.803 7.560 1.00 14.22 H new ATOM 0 HA LYS A 45 2.167 10.947 5.450 1.00 52.02 H new ATOM 0 HB2 LYS A 45 2.417 13.013 6.801 1.00 61.55 H new ATOM 0 HB3 LYS A 45 1.713 11.696 7.717 1.00 61.55 H new ATOM 0 HG2 LYS A 45 3.227 12.451 9.268 1.00 64.33 H new ATOM 0 HG3 LYS A 45 4.236 11.274 8.451 1.00 64.33 H new ATOM 0 HD2 LYS A 45 5.272 13.007 7.085 1.00 72.03 H new ATOM 0 HD3 LYS A 45 4.148 14.215 7.675 1.00 72.03 H new ATOM 0 HE2 LYS A 45 5.046 13.958 9.966 1.00 10.45 H new ATOM 0 HE3 LYS A 45 6.142 12.708 9.411 1.00 10.45 H new ATOM 0 HZ1 LYS A 45 7.248 14.840 9.563 1.00 0.54 H new ATOM 0 HZ2 LYS A 45 7.199 14.326 7.945 1.00 0.54 H new ATOM 0 HZ3 LYS A 45 6.138 15.536 8.484 1.00 0.54 H new ATOM 798 N ASP A 46 5.210 10.783 5.107 1.00 24.12 N ATOM 799 CA ASP A 46 6.408 11.237 4.404 1.00 44.50 C ATOM 800 C ASP A 46 6.394 10.767 2.955 1.00 60.13 C ATOM 801 O ASP A 46 7.311 11.055 2.190 1.00 30.10 O ATOM 802 CB ASP A 46 7.678 10.737 5.102 1.00 3.44 C ATOM 803 CG ASP A 46 8.926 11.466 4.632 1.00 2.33 C ATOM 804 OD1 ASP A 46 9.005 12.698 4.817 1.00 12.51 O ATOM 805 OD2 ASP A 46 9.832 10.808 4.083 1.00 24.20 O ATOM 0 H ASP A 46 5.241 9.812 5.418 1.00 24.12 H new ATOM 0 HA ASP A 46 6.409 12.327 4.421 1.00 44.50 H new ATOM 0 HB2 ASP A 46 7.571 10.864 6.179 1.00 3.44 H new ATOM 0 HB3 ASP A 46 7.794 9.669 4.917 1.00 3.44 H new ATOM 810 N ILE A 47 5.350 10.042 2.582 1.00 33.53 N ATOM 811 CA ILE A 47 5.222 9.547 1.221 1.00 72.01 C ATOM 812 C ILE A 47 4.824 10.687 0.293 1.00 3.14 C ATOM 813 O ILE A 47 3.743 11.270 0.431 1.00 10.42 O ATOM 814 CB ILE A 47 4.175 8.417 1.114 1.00 42.04 C ATOM 815 CG1 ILE A 47 4.399 7.369 2.209 1.00 24.24 C ATOM 816 CG2 ILE A 47 4.238 7.764 -0.264 1.00 11.33 C ATOM 817 CD1 ILE A 47 5.749 6.688 2.135 1.00 33.53 C ATOM 0 H ILE A 47 4.582 9.784 3.201 1.00 33.53 H new ATOM 0 HA ILE A 47 6.190 9.141 0.928 1.00 72.01 H new ATOM 0 HB ILE A 47 3.185 8.852 1.250 1.00 42.04 H new ATOM 0 HG12 ILE A 47 4.296 7.847 3.183 1.00 24.24 H new ATOM 0 HG13 ILE A 47 3.617 6.613 2.141 1.00 24.24 H new ATOM 0 HG21 ILE A 47 3.494 6.969 -0.324 1.00 11.33 H new ATOM 0 HG22 ILE A 47 4.034 8.511 -1.031 1.00 11.33 H new ATOM 0 HG23 ILE A 47 5.231 7.344 -0.423 1.00 11.33 H new ATOM 0 HD11 ILE A 47 5.834 5.960 2.942 1.00 33.53 H new ATOM 0 HD12 ILE A 47 5.848 6.180 1.176 1.00 33.53 H new ATOM 0 HD13 ILE A 47 6.538 7.433 2.234 1.00 33.53 H new ATOM 829 N LYS A 48 5.709 11.023 -0.632 1.00 74.01 N ATOM 830 CA LYS A 48 5.459 12.106 -1.567 1.00 12.55 C ATOM 831 C LYS A 48 4.695 11.605 -2.785 1.00 73.41 C ATOM 832 O LYS A 48 4.492 10.402 -2.955 1.00 51.35 O ATOM 833 CB LYS A 48 6.778 12.742 -2.006 1.00 33.32 C ATOM 834 CG LYS A 48 7.613 13.273 -0.851 1.00 30.12 C ATOM 835 CD LYS A 48 8.948 13.808 -1.334 1.00 54.44 C ATOM 836 CE LYS A 48 9.845 14.188 -0.172 1.00 34.33 C ATOM 837 NZ LYS A 48 11.150 14.713 -0.642 1.00 53.05 N ATOM 0 H LYS A 48 6.609 10.559 -0.755 1.00 74.01 H new ATOM 0 HA LYS A 48 4.851 12.857 -1.062 1.00 12.55 H new ATOM 0 HB2 LYS A 48 7.362 12.004 -2.556 1.00 33.32 H new ATOM 0 HB3 LYS A 48 6.566 13.559 -2.696 1.00 33.32 H new ATOM 0 HG2 LYS A 48 7.066 14.064 -0.338 1.00 30.12 H new ATOM 0 HG3 LYS A 48 7.779 12.478 -0.124 1.00 30.12 H new ATOM 0 HD2 LYS A 48 9.443 13.055 -1.947 1.00 54.44 H new ATOM 0 HD3 LYS A 48 8.784 14.679 -1.969 1.00 54.44 H new ATOM 0 HE2 LYS A 48 9.349 14.940 0.441 1.00 34.33 H new ATOM 0 HE3 LYS A 48 10.009 13.317 0.462 1.00 34.33 H new ATOM 0 HZ1 LYS A 48 11.739 14.963 0.178 1.00 53.05 H new ATOM 0 HZ2 LYS A 48 11.634 13.986 -1.207 1.00 53.05 H new ATOM 0 HZ3 LYS A 48 10.994 15.559 -1.227 1.00 53.05 H new ATOM 851 N ARG A 49 4.295 12.536 -3.638 1.00 2.21 N ATOM 852 CA ARG A 49 3.515 12.222 -4.826 1.00 72.34 C ATOM 853 C ARG A 49 4.354 11.459 -5.842 1.00 44.35 C ATOM 854 O ARG A 49 3.937 10.423 -6.355 1.00 0.33 O ATOM 855 CB ARG A 49 2.982 13.511 -5.458 1.00 65.22 C ATOM 856 CG ARG A 49 1.602 13.934 -4.969 1.00 12.20 C ATOM 857 CD ARG A 49 1.500 13.971 -3.451 1.00 24.41 C ATOM 858 NE ARG A 49 2.467 14.883 -2.836 1.00 13.33 N ATOM 859 CZ ARG A 49 2.678 14.953 -1.521 1.00 63.34 C ATOM 860 NH1 ARG A 49 1.938 14.230 -0.690 1.00 23.43 N ATOM 861 NH2 ARG A 49 3.609 15.766 -1.032 1.00 73.13 N ATOM 0 H ARG A 49 4.501 13.529 -3.527 1.00 2.21 H new ATOM 0 HA ARG A 49 2.678 11.591 -4.527 1.00 72.34 H new ATOM 0 HB2 ARG A 49 3.687 14.317 -5.257 1.00 65.22 H new ATOM 0 HB3 ARG A 49 2.946 13.382 -6.540 1.00 65.22 H new ATOM 0 HG2 ARG A 49 1.367 14.920 -5.369 1.00 12.20 H new ATOM 0 HG3 ARG A 49 0.855 13.244 -5.362 1.00 12.20 H new ATOM 0 HD2 ARG A 49 0.492 14.273 -3.167 1.00 24.41 H new ATOM 0 HD3 ARG A 49 1.654 12.966 -3.057 1.00 24.41 H new ATOM 0 HE ARG A 49 3.007 15.497 -3.445 1.00 13.33 H new ATOM 0 HH11 ARG A 49 1.207 13.620 -1.057 1.00 23.43 H new ATOM 0 HH12 ARG A 49 2.100 14.284 0.316 1.00 23.43 H new ATOM 0 HH21 ARG A 49 4.167 16.341 -1.663 1.00 73.13 H new ATOM 0 HH22 ARG A 49 3.766 15.815 -0.025 1.00 73.13 H new ATOM 875 N THR A 50 5.540 11.976 -6.123 1.00 63.44 N ATOM 876 CA THR A 50 6.409 11.382 -7.122 1.00 23.52 C ATOM 877 C THR A 50 6.991 10.054 -6.647 1.00 10.31 C ATOM 878 O THR A 50 7.223 9.153 -7.451 1.00 4.32 O ATOM 879 CB THR A 50 7.535 12.347 -7.504 1.00 14.31 C ATOM 880 OG1 THR A 50 8.097 12.925 -6.319 1.00 23.22 O ATOM 881 CG2 THR A 50 7.006 13.438 -8.422 1.00 12.45 C ATOM 0 H THR A 50 5.922 12.807 -5.671 1.00 63.44 H new ATOM 0 HA THR A 50 5.800 11.183 -8.004 1.00 23.52 H new ATOM 0 HB THR A 50 8.311 11.796 -8.035 1.00 14.31 H new ATOM 0 HG1 THR A 50 8.818 13.541 -6.566 1.00 23.22 H new ATOM 0 HG21 THR A 50 7.817 14.117 -8.685 1.00 12.45 H new ATOM 0 HG22 THR A 50 6.602 12.987 -9.328 1.00 12.45 H new ATOM 0 HG23 THR A 50 6.219 13.994 -7.911 1.00 12.45 H new ATOM 889 N GLU A 51 7.219 9.938 -5.344 1.00 15.35 N ATOM 890 CA GLU A 51 7.693 8.689 -4.765 1.00 12.45 C ATOM 891 C GLU A 51 6.642 7.606 -4.959 1.00 13.23 C ATOM 892 O GLU A 51 6.944 6.499 -5.402 1.00 75.14 O ATOM 893 CB GLU A 51 7.979 8.852 -3.273 1.00 64.53 C ATOM 894 CG GLU A 51 8.981 9.944 -2.945 1.00 62.12 C ATOM 895 CD GLU A 51 9.184 10.096 -1.452 1.00 44.55 C ATOM 896 OE1 GLU A 51 8.208 9.909 -0.697 1.00 71.44 O ATOM 897 OE2 GLU A 51 10.314 10.413 -1.024 1.00 72.43 O ATOM 0 H GLU A 51 7.083 10.692 -4.671 1.00 15.35 H new ATOM 0 HA GLU A 51 8.618 8.407 -5.268 1.00 12.45 H new ATOM 0 HB2 GLU A 51 7.043 9.067 -2.757 1.00 64.53 H new ATOM 0 HB3 GLU A 51 8.350 7.905 -2.880 1.00 64.53 H new ATOM 0 HG2 GLU A 51 9.935 9.715 -3.419 1.00 62.12 H new ATOM 0 HG3 GLU A 51 8.636 10.890 -3.362 1.00 62.12 H new ATOM 904 N TYR A 52 5.404 7.961 -4.638 1.00 63.24 N ATOM 905 CA TYR A 52 4.267 7.067 -4.796 1.00 5.52 C ATOM 906 C TYR A 52 4.123 6.650 -6.256 1.00 21.55 C ATOM 907 O TYR A 52 3.933 5.472 -6.567 1.00 73.32 O ATOM 908 CB TYR A 52 3.002 7.782 -4.317 1.00 44.13 C ATOM 909 CG TYR A 52 1.785 6.899 -4.182 1.00 33.02 C ATOM 910 CD1 TYR A 52 1.726 5.919 -3.203 1.00 62.41 C ATOM 911 CD2 TYR A 52 0.680 7.065 -5.011 1.00 1.13 C ATOM 912 CE1 TYR A 52 0.605 5.129 -3.052 1.00 52.15 C ATOM 913 CE2 TYR A 52 -0.444 6.273 -4.869 1.00 21.43 C ATOM 914 CZ TYR A 52 -0.476 5.309 -3.885 1.00 60.24 C ATOM 915 OH TYR A 52 -1.600 4.531 -3.721 1.00 72.23 O ATOM 0 H TYR A 52 5.161 8.877 -4.261 1.00 63.24 H new ATOM 0 HA TYR A 52 4.422 6.168 -4.200 1.00 5.52 H new ATOM 0 HB2 TYR A 52 3.207 8.244 -3.351 1.00 44.13 H new ATOM 0 HB3 TYR A 52 2.772 8.588 -5.013 1.00 44.13 H new ATOM 0 HD1 TYR A 52 2.572 5.772 -2.548 1.00 62.41 H new ATOM 0 HD2 TYR A 52 0.701 7.825 -5.778 1.00 1.13 H new ATOM 0 HE1 TYR A 52 0.576 4.372 -2.283 1.00 52.15 H new ATOM 0 HE2 TYR A 52 -1.291 6.409 -5.525 1.00 21.43 H new ATOM 0 HH TYR A 52 -2.193 4.647 -4.492 1.00 72.23 H new ATOM 925 N GLN A 53 4.244 7.627 -7.146 1.00 23.43 N ATOM 926 CA GLN A 53 4.162 7.378 -8.576 1.00 34.13 C ATOM 927 C GLN A 53 5.287 6.446 -9.028 1.00 32.54 C ATOM 928 O GLN A 53 5.062 5.517 -9.801 1.00 1.23 O ATOM 929 CB GLN A 53 4.237 8.699 -9.346 1.00 0.32 C ATOM 930 CG GLN A 53 3.982 8.552 -10.836 1.00 72.34 C ATOM 931 CD GLN A 53 2.626 7.948 -11.131 1.00 74.52 C ATOM 932 OE1 GLN A 53 1.631 8.658 -11.238 1.00 14.13 O ATOM 933 NE2 GLN A 53 2.582 6.635 -11.280 1.00 72.53 N ATOM 0 H GLN A 53 4.400 8.604 -6.899 1.00 23.43 H new ATOM 0 HA GLN A 53 3.207 6.896 -8.786 1.00 34.13 H new ATOM 0 HB2 GLN A 53 3.509 9.395 -8.929 1.00 0.32 H new ATOM 0 HB3 GLN A 53 5.222 9.141 -9.197 1.00 0.32 H new ATOM 0 HG2 GLN A 53 4.053 9.530 -11.312 1.00 72.34 H new ATOM 0 HG3 GLN A 53 4.759 7.926 -11.275 1.00 72.34 H new ATOM 0 HE21 GLN A 53 3.433 6.082 -11.183 1.00 72.53 H new ATOM 0 HE22 GLN A 53 1.697 6.175 -11.492 1.00 72.53 H new ATOM 942 N LYS A 54 6.497 6.694 -8.531 1.00 73.41 N ATOM 943 CA LYS A 54 7.653 5.868 -8.875 1.00 42.23 C ATOM 944 C LYS A 54 7.457 4.441 -8.378 1.00 62.54 C ATOM 945 O LYS A 54 7.807 3.481 -9.064 1.00 54.12 O ATOM 946 CB LYS A 54 8.938 6.456 -8.282 1.00 72.20 C ATOM 947 CG LYS A 54 9.900 7.044 -9.313 1.00 34.45 C ATOM 948 CD LYS A 54 9.473 8.423 -9.813 1.00 32.22 C ATOM 949 CE LYS A 54 8.279 8.365 -10.757 1.00 22.10 C ATOM 950 NZ LYS A 54 8.001 9.687 -11.382 1.00 13.44 N ATOM 0 H LYS A 54 6.703 7.460 -7.889 1.00 73.41 H new ATOM 0 HA LYS A 54 7.746 5.854 -9.961 1.00 42.23 H new ATOM 0 HB2 LYS A 54 8.670 7.235 -7.568 1.00 72.20 H new ATOM 0 HB3 LYS A 54 9.456 5.676 -7.724 1.00 72.20 H new ATOM 0 HG2 LYS A 54 10.895 7.116 -8.873 1.00 34.45 H new ATOM 0 HG3 LYS A 54 9.974 6.364 -10.161 1.00 34.45 H new ATOM 0 HD2 LYS A 54 9.225 9.053 -8.959 1.00 32.22 H new ATOM 0 HD3 LYS A 54 10.312 8.895 -10.324 1.00 32.22 H new ATOM 0 HE2 LYS A 54 8.468 7.627 -11.537 1.00 22.10 H new ATOM 0 HE3 LYS A 54 7.398 8.030 -10.209 1.00 22.10 H new ATOM 0 HZ1 LYS A 54 7.182 9.605 -12.017 1.00 13.44 H new ATOM 0 HZ2 LYS A 54 7.795 10.386 -10.640 1.00 13.44 H new ATOM 0 HZ3 LYS A 54 8.832 9.995 -11.927 1.00 13.44 H new ATOM 964 N PHE A 55 6.888 4.317 -7.184 1.00 41.04 N ATOM 965 CA PHE A 55 6.580 3.021 -6.596 1.00 31.34 C ATOM 966 C PHE A 55 5.632 2.234 -7.497 1.00 53.40 C ATOM 967 O PHE A 55 5.863 1.055 -7.772 1.00 13.41 O ATOM 968 CB PHE A 55 5.964 3.214 -5.206 1.00 12.12 C ATOM 969 CG PHE A 55 5.455 1.949 -4.573 1.00 42.55 C ATOM 970 CD1 PHE A 55 6.333 0.960 -4.165 1.00 33.12 C ATOM 971 CD2 PHE A 55 4.097 1.753 -4.384 1.00 21.31 C ATOM 972 CE1 PHE A 55 5.867 -0.202 -3.584 1.00 73.42 C ATOM 973 CE2 PHE A 55 3.626 0.593 -3.802 1.00 40.45 C ATOM 974 CZ PHE A 55 4.512 -0.386 -3.402 1.00 34.14 C ATOM 0 H PHE A 55 6.628 5.111 -6.599 1.00 41.04 H new ATOM 0 HA PHE A 55 7.504 2.451 -6.497 1.00 31.34 H new ATOM 0 HB2 PHE A 55 6.711 3.660 -4.549 1.00 12.12 H new ATOM 0 HB3 PHE A 55 5.141 3.925 -5.282 1.00 12.12 H new ATOM 0 HD1 PHE A 55 7.395 1.099 -4.303 1.00 33.12 H new ATOM 0 HD2 PHE A 55 3.399 2.516 -4.695 1.00 21.31 H new ATOM 0 HE1 PHE A 55 6.563 -0.967 -3.272 1.00 73.42 H new ATOM 0 HE2 PHE A 55 2.565 0.452 -3.660 1.00 40.45 H new ATOM 0 HZ PHE A 55 4.146 -1.295 -2.947 1.00 34.14 H new ATOM 984 N LEU A 56 4.580 2.897 -7.961 1.00 50.30 N ATOM 985 CA LEU A 56 3.607 2.274 -8.852 1.00 53.30 C ATOM 986 C LEU A 56 4.256 1.894 -10.178 1.00 14.34 C ATOM 987 O LEU A 56 4.039 0.799 -10.693 1.00 1.23 O ATOM 988 CB LEU A 56 2.427 3.220 -9.101 1.00 51.41 C ATOM 989 CG LEU A 56 1.625 3.604 -7.856 1.00 10.15 C ATOM 990 CD1 LEU A 56 0.538 4.605 -8.215 1.00 14.45 C ATOM 991 CD2 LEU A 56 1.021 2.368 -7.205 1.00 2.51 C ATOM 0 H LEU A 56 4.378 3.871 -7.734 1.00 50.30 H new ATOM 0 HA LEU A 56 3.239 1.368 -8.371 1.00 53.30 H new ATOM 0 HB2 LEU A 56 2.804 4.131 -9.566 1.00 51.41 H new ATOM 0 HB3 LEU A 56 1.752 2.752 -9.818 1.00 51.41 H new ATOM 0 HG LEU A 56 2.301 4.070 -7.140 1.00 10.15 H new ATOM 0 HD11 LEU A 56 -0.024 4.869 -7.319 1.00 14.45 H new ATOM 0 HD12 LEU A 56 0.994 5.502 -8.635 1.00 14.45 H new ATOM 0 HD13 LEU A 56 -0.136 4.163 -8.949 1.00 14.45 H new ATOM 0 HD21 LEU A 56 0.455 2.662 -6.321 1.00 2.51 H new ATOM 0 HD22 LEU A 56 0.357 1.872 -7.913 1.00 2.51 H new ATOM 0 HD23 LEU A 56 1.818 1.684 -6.914 1.00 2.51 H new ATOM 1003 N ASN A 57 5.064 2.798 -10.715 1.00 10.32 N ATOM 1004 CA ASN A 57 5.744 2.570 -11.987 1.00 53.21 C ATOM 1005 C ASN A 57 6.646 1.344 -11.921 1.00 54.13 C ATOM 1006 O ASN A 57 6.620 0.501 -12.815 1.00 42.44 O ATOM 1007 CB ASN A 57 6.562 3.799 -12.395 1.00 61.21 C ATOM 1008 CG ASN A 57 5.702 4.930 -12.924 1.00 1.33 C ATOM 1009 OD1 ASN A 57 4.527 5.053 -12.585 1.00 42.20 O ATOM 1010 ND2 ASN A 57 6.285 5.773 -13.761 1.00 34.23 N ATOM 0 H ASN A 57 5.267 3.702 -10.288 1.00 10.32 H new ATOM 0 HA ASN A 57 4.977 2.391 -12.740 1.00 53.21 H new ATOM 0 HB2 ASN A 57 7.130 4.153 -11.535 1.00 61.21 H new ATOM 0 HB3 ASN A 57 7.285 3.511 -13.158 1.00 61.21 H new ATOM 0 HD21 ASN A 57 5.757 6.556 -14.147 1.00 34.23 H new ATOM 0 HD22 ASN A 57 7.262 5.640 -14.020 1.00 34.23 H new ATOM 1017 N GLU A 58 7.428 1.234 -10.852 1.00 74.45 N ATOM 1018 CA GLU A 58 8.348 0.111 -10.693 1.00 33.13 C ATOM 1019 C GLU A 58 7.593 -1.177 -10.365 1.00 23.22 C ATOM 1020 O GLU A 58 8.084 -2.278 -10.618 1.00 33.11 O ATOM 1021 CB GLU A 58 9.382 0.410 -9.604 1.00 72.33 C ATOM 1022 CG GLU A 58 10.333 1.540 -9.963 1.00 3.10 C ATOM 1023 CD GLU A 58 11.389 1.771 -8.903 1.00 11.22 C ATOM 1024 OE1 GLU A 58 12.193 0.852 -8.648 1.00 51.42 O ATOM 1025 OE2 GLU A 58 11.428 2.874 -8.321 1.00 21.12 O ATOM 0 H GLU A 58 7.444 1.906 -10.085 1.00 74.45 H new ATOM 0 HA GLU A 58 8.868 -0.030 -11.640 1.00 33.13 H new ATOM 0 HB2 GLU A 58 8.862 0.664 -8.680 1.00 72.33 H new ATOM 0 HB3 GLU A 58 9.961 -0.492 -9.407 1.00 72.33 H new ATOM 0 HG2 GLU A 58 10.819 1.313 -10.912 1.00 3.10 H new ATOM 0 HG3 GLU A 58 9.763 2.457 -10.109 1.00 3.10 H new ATOM 1032 N TYR A 59 6.401 -1.035 -9.803 1.00 73.44 N ATOM 1033 CA TYR A 59 5.571 -2.186 -9.477 1.00 61.54 C ATOM 1034 C TYR A 59 4.905 -2.728 -10.738 1.00 40.53 C ATOM 1035 O TYR A 59 4.803 -3.943 -10.929 1.00 53.24 O ATOM 1036 CB TYR A 59 4.511 -1.799 -8.442 1.00 21.40 C ATOM 1037 CG TYR A 59 3.710 -2.969 -7.912 1.00 42.15 C ATOM 1038 CD1 TYR A 59 4.176 -3.722 -6.841 1.00 70.41 C ATOM 1039 CD2 TYR A 59 2.489 -3.318 -8.476 1.00 12.34 C ATOM 1040 CE1 TYR A 59 3.449 -4.789 -6.350 1.00 53.33 C ATOM 1041 CE2 TYR A 59 1.757 -4.383 -7.990 1.00 22.44 C ATOM 1042 CZ TYR A 59 2.242 -5.114 -6.927 1.00 40.53 C ATOM 1043 OH TYR A 59 1.520 -6.179 -6.441 1.00 54.02 O ATOM 0 H TYR A 59 5.987 -0.134 -9.563 1.00 73.44 H new ATOM 0 HA TYR A 59 6.204 -2.965 -9.053 1.00 61.54 H new ATOM 0 HB2 TYR A 59 5.000 -1.299 -7.606 1.00 21.40 H new ATOM 0 HB3 TYR A 59 3.828 -1.077 -8.890 1.00 21.40 H new ATOM 0 HD1 TYR A 59 5.122 -3.469 -6.385 1.00 70.41 H new ATOM 0 HD2 TYR A 59 2.106 -2.747 -9.309 1.00 12.34 H new ATOM 0 HE1 TYR A 59 3.825 -5.365 -5.518 1.00 53.33 H new ATOM 0 HE2 TYR A 59 0.810 -4.642 -8.440 1.00 22.44 H new ATOM 0 HH TYR A 59 0.595 -5.900 -6.279 1.00 54.02 H new ATOM 1053 N GLY A 60 4.478 -1.816 -11.604 1.00 61.43 N ATOM 1054 CA GLY A 60 3.800 -2.199 -12.828 1.00 21.43 C ATOM 1055 C GLY A 60 4.754 -2.671 -13.908 1.00 73.41 C ATOM 1056 O GLY A 60 4.338 -2.960 -15.029 1.00 74.14 O ATOM 0 H GLY A 60 4.591 -0.810 -11.478 1.00 61.43 H new ATOM 0 HA2 GLY A 60 3.086 -2.993 -12.609 1.00 21.43 H new ATOM 0 HA3 GLY A 60 3.228 -1.350 -13.201 1.00 21.43 H new ATOM 1060 N LEU A 61 6.037 -2.737 -13.580 1.00 42.23 N ATOM 1061 CA LEU A 61 7.038 -3.251 -14.506 1.00 32.43 C ATOM 1062 C LEU A 61 7.136 -4.765 -14.395 1.00 10.20 C ATOM 1063 O LEU A 61 7.664 -5.428 -15.286 1.00 33.00 O ATOM 1064 CB LEU A 61 8.410 -2.629 -14.225 1.00 30.53 C ATOM 1065 CG LEU A 61 8.528 -1.133 -14.516 1.00 33.52 C ATOM 1066 CD1 LEU A 61 9.893 -0.618 -14.091 1.00 22.53 C ATOM 1067 CD2 LEU A 61 8.293 -0.857 -15.992 1.00 22.11 C ATOM 0 H LEU A 61 6.410 -2.441 -12.678 1.00 42.23 H new ATOM 0 HA LEU A 61 6.729 -2.983 -15.516 1.00 32.43 H new ATOM 0 HB2 LEU A 61 8.658 -2.798 -13.177 1.00 30.53 H new ATOM 0 HB3 LEU A 61 9.157 -3.157 -14.818 1.00 30.53 H new ATOM 0 HG LEU A 61 7.764 -0.608 -13.942 1.00 33.52 H new ATOM 0 HD11 LEU A 61 9.962 0.449 -14.304 1.00 22.53 H new ATOM 0 HD12 LEU A 61 10.028 -0.784 -13.022 1.00 22.53 H new ATOM 0 HD13 LEU A 61 10.670 -1.149 -14.641 1.00 22.53 H new ATOM 0 HD21 LEU A 61 8.381 0.213 -16.181 1.00 22.11 H new ATOM 0 HD22 LEU A 61 9.035 -1.392 -16.585 1.00 22.11 H new ATOM 0 HD23 LEU A 61 7.294 -1.194 -16.271 1.00 22.11 H new ATOM 1079 N THR A 62 6.627 -5.311 -13.298 1.00 10.14 N ATOM 1080 CA THR A 62 6.718 -6.743 -13.047 1.00 2.21 C ATOM 1081 C THR A 62 5.358 -7.342 -12.695 1.00 54.44 C ATOM 1082 O THR A 62 5.260 -8.514 -12.324 1.00 11.31 O ATOM 1083 CB THR A 62 7.704 -7.025 -11.899 1.00 42.54 C ATOM 1084 OG1 THR A 62 7.375 -6.200 -10.772 1.00 30.13 O ATOM 1085 CG2 THR A 62 9.140 -6.758 -12.327 1.00 44.22 C ATOM 0 H THR A 62 6.147 -4.784 -12.568 1.00 10.14 H new ATOM 0 HA THR A 62 7.075 -7.209 -13.966 1.00 2.21 H new ATOM 0 HB THR A 62 7.621 -8.077 -11.627 1.00 42.54 H new ATOM 0 HG1 THR A 62 6.450 -6.373 -10.499 1.00 30.13 H new ATOM 0 HG21 THR A 62 9.812 -6.966 -11.495 1.00 44.22 H new ATOM 0 HG22 THR A 62 9.394 -7.402 -13.169 1.00 44.22 H new ATOM 0 HG23 THR A 62 9.243 -5.714 -12.624 1.00 44.22 H new ATOM 1093 N HIS A 63 4.308 -6.539 -12.814 1.00 13.32 N ATOM 1094 CA HIS A 63 2.972 -6.978 -12.427 1.00 3.42 C ATOM 1095 C HIS A 63 1.934 -6.545 -13.451 1.00 73.43 C ATOM 1096 O HIS A 63 2.105 -5.532 -14.131 1.00 53.32 O ATOM 1097 CB HIS A 63 2.601 -6.417 -11.054 1.00 10.44 C ATOM 1098 CG HIS A 63 3.396 -6.995 -9.925 1.00 35.30 C ATOM 1099 ND1 HIS A 63 4.600 -6.473 -9.508 1.00 4.32 N ATOM 1100 CD2 HIS A 63 3.142 -8.044 -9.112 1.00 74.21 C ATOM 1101 CE1 HIS A 63 5.051 -7.175 -8.487 1.00 12.31 C ATOM 1102 NE2 HIS A 63 4.184 -8.134 -8.224 1.00 63.12 N ATOM 0 H HIS A 63 4.354 -5.585 -13.173 1.00 13.32 H new ATOM 0 HA HIS A 63 2.982 -8.067 -12.381 1.00 3.42 H new ATOM 0 HB2 HIS A 63 2.739 -5.336 -11.065 1.00 10.44 H new ATOM 0 HB3 HIS A 63 1.542 -6.602 -10.871 1.00 10.44 H new ATOM 0 HD2 HIS A 63 2.279 -8.692 -9.154 1.00 74.21 H new ATOM 0 HE1 HIS A 63 5.974 -6.995 -7.956 1.00 12.31 H new ATOM 0 HE2 HIS A 63 4.274 -8.828 -7.482 1.00 63.12 H new ATOM 1111 N SER A 64 0.860 -7.316 -13.552 1.00 13.21 N ATOM 1112 CA SER A 64 -0.227 -7.003 -14.469 1.00 14.44 C ATOM 1113 C SER A 64 -1.053 -5.820 -13.953 1.00 41.34 C ATOM 1114 O SER A 64 -0.923 -5.415 -12.792 1.00 12.43 O ATOM 1115 CB SER A 64 -1.115 -8.231 -14.669 1.00 14.14 C ATOM 1116 OG SER A 64 -0.376 -9.315 -15.210 1.00 1.45 O ATOM 0 H SER A 64 0.718 -8.167 -13.007 1.00 13.21 H new ATOM 0 HA SER A 64 0.203 -6.720 -15.430 1.00 14.44 H new ATOM 0 HB2 SER A 64 -1.553 -8.526 -13.715 1.00 14.14 H new ATOM 0 HB3 SER A 64 -1.941 -7.982 -15.335 1.00 14.14 H new ATOM 0 HG SER A 64 -0.967 -10.088 -15.326 1.00 1.45 H new ATOM 1122 N TYR A 65 -1.919 -5.288 -14.814 1.00 53.31 N ATOM 1123 CA TYR A 65 -2.658 -4.065 -14.514 1.00 21.04 C ATOM 1124 C TYR A 65 -3.603 -4.234 -13.325 1.00 74.41 C ATOM 1125 O TYR A 65 -3.674 -3.366 -12.459 1.00 40.10 O ATOM 1126 CB TYR A 65 -3.438 -3.595 -15.742 1.00 32.24 C ATOM 1127 CG TYR A 65 -4.244 -2.337 -15.498 1.00 1.44 C ATOM 1128 CD1 TYR A 65 -3.616 -1.124 -15.240 1.00 50.42 C ATOM 1129 CD2 TYR A 65 -5.633 -2.367 -15.512 1.00 22.12 C ATOM 1130 CE1 TYR A 65 -4.349 0.023 -15.006 1.00 43.23 C ATOM 1131 CE2 TYR A 65 -6.373 -1.225 -15.280 1.00 25.42 C ATOM 1132 CZ TYR A 65 -5.727 -0.033 -15.027 1.00 15.04 C ATOM 1133 OH TYR A 65 -6.459 1.108 -14.795 1.00 25.43 O ATOM 0 H TYR A 65 -2.126 -5.688 -15.729 1.00 53.31 H new ATOM 0 HA TYR A 65 -1.923 -3.308 -14.242 1.00 21.04 H new ATOM 0 HB2 TYR A 65 -2.740 -3.417 -16.560 1.00 32.24 H new ATOM 0 HB3 TYR A 65 -4.110 -4.391 -16.063 1.00 32.24 H new ATOM 0 HD1 TYR A 65 -2.537 -1.078 -15.222 1.00 50.42 H new ATOM 0 HD2 TYR A 65 -6.142 -3.299 -15.708 1.00 22.12 H new ATOM 0 HE1 TYR A 65 -3.846 0.958 -14.808 1.00 43.23 H new ATOM 0 HE2 TYR A 65 -7.452 -1.265 -15.297 1.00 25.42 H new ATOM 0 HH TYR A 65 -7.415 0.899 -14.846 1.00 25.43 H new ATOM 1143 N GLU A 66 -4.336 -5.334 -13.273 1.00 55.44 N ATOM 1144 CA GLU A 66 -5.271 -5.545 -12.174 1.00 55.11 C ATOM 1145 C GLU A 66 -4.535 -5.700 -10.848 1.00 62.40 C ATOM 1146 O GLU A 66 -5.030 -5.281 -9.805 1.00 75.22 O ATOM 1147 CB GLU A 66 -6.157 -6.760 -12.428 1.00 73.12 C ATOM 1148 CG GLU A 66 -7.202 -6.525 -13.503 1.00 22.13 C ATOM 1149 CD GLU A 66 -8.172 -7.677 -13.616 1.00 45.02 C ATOM 1150 OE1 GLU A 66 -9.174 -7.687 -12.871 1.00 0.02 O ATOM 1151 OE2 GLU A 66 -7.935 -8.582 -14.446 1.00 52.13 O ATOM 0 H GLU A 66 -4.306 -6.084 -13.964 1.00 55.44 H new ATOM 0 HA GLU A 66 -5.907 -4.662 -12.115 1.00 55.11 H new ATOM 0 HB2 GLU A 66 -5.531 -7.604 -12.718 1.00 73.12 H new ATOM 0 HB3 GLU A 66 -6.656 -7.038 -11.500 1.00 73.12 H new ATOM 0 HG2 GLU A 66 -7.751 -5.610 -13.280 1.00 22.13 H new ATOM 0 HG3 GLU A 66 -6.707 -6.374 -14.462 1.00 22.13 H new ATOM 1158 N THR A 67 -3.344 -6.277 -10.896 1.00 73.03 N ATOM 1159 CA THR A 67 -2.551 -6.480 -9.696 1.00 51.22 C ATOM 1160 C THR A 67 -2.108 -5.141 -9.096 1.00 5.03 C ATOM 1161 O THR A 67 -2.187 -4.938 -7.882 1.00 24.30 O ATOM 1162 CB THR A 67 -1.323 -7.361 -9.998 1.00 54.34 C ATOM 1163 OG1 THR A 67 -1.752 -8.590 -10.604 1.00 55.21 O ATOM 1164 CG2 THR A 67 -0.542 -7.667 -8.731 1.00 52.24 C ATOM 0 H THR A 67 -2.906 -6.613 -11.754 1.00 73.03 H new ATOM 0 HA THR A 67 -3.177 -6.992 -8.965 1.00 51.22 H new ATOM 0 HB THR A 67 -0.670 -6.816 -10.680 1.00 54.34 H new ATOM 0 HG1 THR A 67 -0.971 -9.149 -10.798 1.00 55.21 H new ATOM 0 HG21 THR A 67 0.318 -8.290 -8.975 1.00 52.24 H new ATOM 0 HG22 THR A 67 -0.199 -6.735 -8.281 1.00 52.24 H new ATOM 0 HG23 THR A 67 -1.184 -8.196 -8.026 1.00 52.24 H new ATOM 1172 N ILE A 68 -1.670 -4.215 -9.948 1.00 1.42 N ATOM 1173 CA ILE A 68 -1.276 -2.891 -9.479 1.00 24.42 C ATOM 1174 C ILE A 68 -2.509 -2.109 -9.018 1.00 10.33 C ATOM 1175 O ILE A 68 -2.433 -1.301 -8.090 1.00 5.25 O ATOM 1176 CB ILE A 68 -0.469 -2.090 -10.539 1.00 0.24 C ATOM 1177 CG1 ILE A 68 0.090 -0.803 -9.925 1.00 22.34 C ATOM 1178 CG2 ILE A 68 -1.314 -1.767 -11.760 1.00 42.34 C ATOM 1179 CD1 ILE A 68 0.911 0.028 -10.889 1.00 2.43 C ATOM 0 H ILE A 68 -1.580 -4.356 -10.954 1.00 1.42 H new ATOM 0 HA ILE A 68 -0.605 -3.034 -8.632 1.00 24.42 H new ATOM 0 HB ILE A 68 0.360 -2.718 -10.865 1.00 0.24 H new ATOM 0 HG12 ILE A 68 -0.738 -0.199 -9.554 1.00 22.34 H new ATOM 0 HG13 ILE A 68 0.708 -1.060 -9.065 1.00 22.34 H new ATOM 0 HG21 ILE A 68 -0.716 -1.207 -12.479 1.00 42.34 H new ATOM 0 HG22 ILE A 68 -1.659 -2.693 -12.219 1.00 42.34 H new ATOM 0 HG23 ILE A 68 -2.174 -1.169 -11.459 1.00 42.34 H new ATOM 0 HD11 ILE A 68 1.272 0.923 -10.382 1.00 2.43 H new ATOM 0 HD12 ILE A 68 1.760 -0.557 -11.242 1.00 2.43 H new ATOM 0 HD13 ILE A 68 0.292 0.317 -11.738 1.00 2.43 H new ATOM 1191 N ARG A 69 -3.648 -2.353 -9.673 1.00 54.33 N ATOM 1192 CA ARG A 69 -4.913 -1.755 -9.253 1.00 43.42 C ATOM 1193 C ARG A 69 -5.229 -2.115 -7.808 1.00 72.14 C ATOM 1194 O ARG A 69 -5.566 -1.241 -7.006 1.00 44.15 O ATOM 1195 CB ARG A 69 -6.071 -2.201 -10.146 1.00 13.11 C ATOM 1196 CG ARG A 69 -6.065 -1.579 -11.524 1.00 22.32 C ATOM 1197 CD ARG A 69 -7.410 -1.752 -12.200 1.00 42.14 C ATOM 1198 NE ARG A 69 -8.471 -1.077 -11.457 1.00 5.42 N ATOM 1199 CZ ARG A 69 -9.504 -0.465 -12.024 1.00 3.42 C ATOM 1200 NH1 ARG A 69 -9.659 -0.495 -13.340 1.00 73.24 N ATOM 1201 NH2 ARG A 69 -10.389 0.164 -11.266 1.00 73.05 N ATOM 0 H ARG A 69 -3.717 -2.958 -10.492 1.00 54.33 H new ATOM 0 HA ARG A 69 -4.799 -0.675 -9.342 1.00 43.42 H new ATOM 0 HB2 ARG A 69 -6.039 -3.286 -10.249 1.00 13.11 H new ATOM 0 HB3 ARG A 69 -7.011 -1.955 -9.653 1.00 13.11 H new ATOM 0 HG2 ARG A 69 -5.825 -0.518 -11.448 1.00 22.32 H new ATOM 0 HG3 ARG A 69 -5.286 -2.039 -12.132 1.00 22.32 H new ATOM 0 HD2 ARG A 69 -7.363 -1.354 -13.213 1.00 42.14 H new ATOM 0 HD3 ARG A 69 -7.642 -2.814 -12.285 1.00 42.14 H new ATOM 0 HE ARG A 69 -8.415 -1.076 -10.439 1.00 5.42 H new ATOM 0 HH11 ARG A 69 -8.983 -0.990 -13.922 1.00 73.24 H new ATOM 0 HH12 ARG A 69 -10.454 -0.023 -13.771 1.00 73.24 H new ATOM 0 HH21 ARG A 69 -10.275 0.177 -10.252 1.00 73.05 H new ATOM 0 HH22 ARG A 69 -11.185 0.636 -11.696 1.00 73.05 H new ATOM 1215 N LYS A 70 -5.127 -3.404 -7.484 1.00 43.41 N ATOM 1216 CA LYS A 70 -5.335 -3.867 -6.112 1.00 54.23 C ATOM 1217 C LYS A 70 -4.416 -3.119 -5.154 1.00 71.22 C ATOM 1218 O LYS A 70 -4.863 -2.604 -4.128 1.00 74.10 O ATOM 1219 CB LYS A 70 -5.087 -5.376 -5.988 1.00 63.35 C ATOM 1220 CG LYS A 70 -6.336 -6.238 -6.149 1.00 63.34 C ATOM 1221 CD LYS A 70 -6.811 -6.299 -7.590 1.00 0.01 C ATOM 1222 CE LYS A 70 -8.024 -7.204 -7.732 1.00 74.52 C ATOM 1223 NZ LYS A 70 -8.359 -7.469 -9.153 1.00 33.45 N ATOM 0 H LYS A 70 -4.903 -4.143 -8.150 1.00 43.41 H new ATOM 0 HA LYS A 70 -6.374 -3.665 -5.850 1.00 54.23 H new ATOM 0 HB2 LYS A 70 -4.356 -5.674 -6.739 1.00 63.35 H new ATOM 0 HB3 LYS A 70 -4.644 -5.580 -5.013 1.00 63.35 H new ATOM 0 HG2 LYS A 70 -6.127 -7.247 -5.795 1.00 63.34 H new ATOM 0 HG3 LYS A 70 -7.134 -5.839 -5.522 1.00 63.34 H new ATOM 0 HD2 LYS A 70 -7.060 -5.296 -7.936 1.00 0.01 H new ATOM 0 HD3 LYS A 70 -6.005 -6.665 -8.226 1.00 0.01 H new ATOM 0 HE2 LYS A 70 -7.833 -8.149 -7.223 1.00 74.52 H new ATOM 0 HE3 LYS A 70 -8.879 -6.743 -7.238 1.00 74.52 H new ATOM 0 HZ1 LYS A 70 -9.192 -8.090 -9.203 1.00 33.45 H new ATOM 0 HZ2 LYS A 70 -8.567 -6.571 -9.634 1.00 33.45 H new ATOM 0 HZ3 LYS A 70 -7.553 -7.932 -9.619 1.00 33.45 H new ATOM 1237 N LEU A 71 -3.138 -3.046 -5.515 1.00 61.44 N ATOM 1238 CA LEU A 71 -2.136 -2.354 -4.709 1.00 54.14 C ATOM 1239 C LEU A 71 -2.571 -0.925 -4.382 1.00 13.03 C ATOM 1240 O LEU A 71 -2.653 -0.544 -3.213 1.00 32.10 O ATOM 1241 CB LEU A 71 -0.798 -2.320 -5.456 1.00 24.40 C ATOM 1242 CG LEU A 71 0.291 -1.466 -4.806 1.00 4.33 C ATOM 1243 CD1 LEU A 71 0.793 -2.114 -3.528 1.00 21.42 C ATOM 1244 CD2 LEU A 71 1.436 -1.234 -5.776 1.00 70.14 C ATOM 0 H LEU A 71 -2.769 -3.462 -6.370 1.00 61.44 H new ATOM 0 HA LEU A 71 -2.025 -2.902 -3.773 1.00 54.14 H new ATOM 0 HB2 LEU A 71 -0.428 -3.341 -5.551 1.00 24.40 H new ATOM 0 HB3 LEU A 71 -0.974 -1.949 -6.466 1.00 24.40 H new ATOM 0 HG LEU A 71 -0.141 -0.499 -4.548 1.00 4.33 H new ATOM 0 HD11 LEU A 71 1.567 -1.489 -3.083 1.00 21.42 H new ATOM 0 HD12 LEU A 71 -0.034 -2.223 -2.826 1.00 21.42 H new ATOM 0 HD13 LEU A 71 1.207 -3.096 -3.756 1.00 21.42 H new ATOM 0 HD21 LEU A 71 2.202 -0.624 -5.296 1.00 70.14 H new ATOM 0 HD22 LEU A 71 1.865 -2.192 -6.068 1.00 70.14 H new ATOM 0 HD23 LEU A 71 1.064 -0.718 -6.661 1.00 70.14 H new ATOM 1256 N ASN A 72 -2.854 -0.149 -5.424 1.00 13.35 N ATOM 1257 CA ASN A 72 -3.257 1.249 -5.268 1.00 43.34 C ATOM 1258 C ASN A 72 -4.501 1.362 -4.392 1.00 43.32 C ATOM 1259 O ASN A 72 -4.615 2.266 -3.564 1.00 40.13 O ATOM 1260 CB ASN A 72 -3.531 1.870 -6.642 1.00 3.24 C ATOM 1261 CG ASN A 72 -3.827 3.359 -6.569 1.00 24.13 C ATOM 1262 OD1 ASN A 72 -3.284 4.075 -5.734 1.00 23.24 O ATOM 1263 ND2 ASN A 72 -4.697 3.832 -7.447 1.00 44.11 N ATOM 0 H ASN A 72 -2.812 -0.466 -6.393 1.00 13.35 H new ATOM 0 HA ASN A 72 -2.443 1.788 -4.782 1.00 43.34 H new ATOM 0 HB2 ASN A 72 -2.668 1.707 -7.287 1.00 3.24 H new ATOM 0 HB3 ASN A 72 -4.375 1.359 -7.104 1.00 3.24 H new ATOM 0 HD21 ASN A 72 -4.936 4.823 -7.444 1.00 44.11 H new ATOM 0 HD22 ASN A 72 -5.128 3.205 -8.126 1.00 44.11 H new ATOM 1270 N SER A 73 -5.420 0.421 -4.573 1.00 1.33 N ATOM 1271 CA SER A 73 -6.667 0.408 -3.820 1.00 10.23 C ATOM 1272 C SER A 73 -6.408 0.282 -2.317 1.00 15.43 C ATOM 1273 O SER A 73 -7.050 0.961 -1.513 1.00 32.34 O ATOM 1274 CB SER A 73 -7.558 -0.743 -4.290 1.00 75.43 C ATOM 1275 OG SER A 73 -7.797 -0.668 -5.688 1.00 11.54 O ATOM 0 H SER A 73 -5.324 -0.346 -5.238 1.00 1.33 H new ATOM 0 HA SER A 73 -7.175 1.355 -4.001 1.00 10.23 H new ATOM 0 HB2 SER A 73 -7.084 -1.695 -4.050 1.00 75.43 H new ATOM 0 HB3 SER A 73 -8.507 -0.715 -3.754 1.00 75.43 H new ATOM 0 HG SER A 73 -7.070 -1.116 -6.169 1.00 11.54 H new ATOM 1281 N TYR A 74 -5.459 -0.576 -1.948 1.00 70.52 N ATOM 1282 CA TYR A 74 -5.150 -0.817 -0.541 1.00 13.51 C ATOM 1283 C TYR A 74 -4.528 0.421 0.091 1.00 34.21 C ATOM 1284 O TYR A 74 -4.948 0.864 1.160 1.00 54.10 O ATOM 1285 CB TYR A 74 -4.184 -1.994 -0.377 1.00 13.04 C ATOM 1286 CG TYR A 74 -4.624 -3.273 -1.053 1.00 2.02 C ATOM 1287 CD1 TYR A 74 -5.963 -3.638 -1.106 1.00 14.14 C ATOM 1288 CD2 TYR A 74 -3.690 -4.120 -1.630 1.00 60.25 C ATOM 1289 CE1 TYR A 74 -6.357 -4.814 -1.715 1.00 32.24 C ATOM 1290 CE2 TYR A 74 -4.074 -5.294 -2.243 1.00 34.24 C ATOM 1291 CZ TYR A 74 -5.410 -5.636 -2.283 1.00 63.14 C ATOM 1292 OH TYR A 74 -5.795 -6.807 -2.889 1.00 15.33 O ATOM 0 H TYR A 74 -4.892 -1.115 -2.603 1.00 70.52 H new ATOM 0 HA TYR A 74 -6.089 -1.055 -0.041 1.00 13.51 H new ATOM 0 HB2 TYR A 74 -3.211 -1.706 -0.774 1.00 13.04 H new ATOM 0 HB3 TYR A 74 -4.049 -2.190 0.687 1.00 13.04 H new ATOM 0 HD1 TYR A 74 -6.708 -2.993 -0.664 1.00 14.14 H new ATOM 0 HD2 TYR A 74 -2.643 -3.856 -1.599 1.00 60.25 H new ATOM 0 HE1 TYR A 74 -7.402 -5.087 -1.745 1.00 32.24 H new ATOM 0 HE2 TYR A 74 -3.334 -5.942 -2.689 1.00 34.24 H new ATOM 0 HH TYR A 74 -6.698 -6.704 -3.256 1.00 15.33 H new ATOM 1302 N ILE A 75 -3.532 0.974 -0.587 1.00 11.11 N ATOM 1303 CA ILE A 75 -2.790 2.113 -0.070 1.00 44.14 C ATOM 1304 C ILE A 75 -3.696 3.333 0.085 1.00 10.14 C ATOM 1305 O ILE A 75 -3.685 3.999 1.121 1.00 40.51 O ATOM 1306 CB ILE A 75 -1.599 2.466 -0.981 1.00 12.42 C ATOM 1307 CG1 ILE A 75 -0.690 1.246 -1.163 1.00 73.31 C ATOM 1308 CG2 ILE A 75 -0.816 3.627 -0.394 1.00 12.41 C ATOM 1309 CD1 ILE A 75 0.479 1.485 -2.094 1.00 20.20 C ATOM 0 H ILE A 75 -3.219 0.649 -1.502 1.00 11.11 H new ATOM 0 HA ILE A 75 -2.407 1.829 0.910 1.00 44.14 H new ATOM 0 HB ILE A 75 -1.981 2.762 -1.958 1.00 12.42 H new ATOM 0 HG12 ILE A 75 -0.309 0.941 -0.188 1.00 73.31 H new ATOM 0 HG13 ILE A 75 -1.284 0.417 -1.547 1.00 73.31 H new ATOM 0 HG21 ILE A 75 0.023 3.867 -1.047 1.00 12.41 H new ATOM 0 HG22 ILE A 75 -1.467 4.497 -0.305 1.00 12.41 H new ATOM 0 HG23 ILE A 75 -0.441 3.352 0.592 1.00 12.41 H new ATOM 0 HD11 ILE A 75 1.075 0.575 -2.171 1.00 20.20 H new ATOM 0 HD12 ILE A 75 0.108 1.760 -3.081 1.00 20.20 H new ATOM 0 HD13 ILE A 75 1.098 2.292 -1.701 1.00 20.20 H new ATOM 1321 N ARG A 76 -4.498 3.603 -0.939 1.00 52.43 N ATOM 1322 CA ARG A 76 -5.418 4.733 -0.908 1.00 65.13 C ATOM 1323 C ARG A 76 -6.440 4.571 0.219 1.00 15.21 C ATOM 1324 O ARG A 76 -6.831 5.548 0.862 1.00 41.10 O ATOM 1325 CB ARG A 76 -6.131 4.878 -2.255 1.00 21.20 C ATOM 1326 CG ARG A 76 -7.152 6.003 -2.283 1.00 55.11 C ATOM 1327 CD ARG A 76 -7.794 6.154 -3.651 1.00 23.33 C ATOM 1328 NE ARG A 76 -8.940 7.064 -3.613 1.00 71.41 N ATOM 1329 CZ ARG A 76 -9.318 7.839 -4.629 1.00 44.12 C ATOM 1330 NH1 ARG A 76 -8.642 7.830 -5.772 1.00 25.42 N ATOM 1331 NH2 ARG A 76 -10.374 8.630 -4.500 1.00 32.51 N ATOM 0 H ARG A 76 -4.529 3.056 -1.799 1.00 52.43 H new ATOM 0 HA ARG A 76 -4.840 5.638 -0.719 1.00 65.13 H new ATOM 0 HB2 ARG A 76 -5.388 5.053 -3.033 1.00 21.20 H new ATOM 0 HB3 ARG A 76 -6.630 3.939 -2.496 1.00 21.20 H new ATOM 0 HG2 ARG A 76 -7.925 5.810 -1.539 1.00 55.11 H new ATOM 0 HG3 ARG A 76 -6.668 6.939 -2.004 1.00 55.11 H new ATOM 0 HD2 ARG A 76 -7.056 6.528 -4.360 1.00 23.33 H new ATOM 0 HD3 ARG A 76 -8.117 5.177 -4.012 1.00 23.33 H new ATOM 0 HE ARG A 76 -9.485 7.108 -2.752 1.00 71.41 H new ATOM 0 HH11 ARG A 76 -7.826 7.227 -5.877 1.00 25.42 H new ATOM 0 HH12 ARG A 76 -8.938 8.426 -6.545 1.00 25.42 H new ATOM 0 HH21 ARG A 76 -10.896 8.645 -3.624 1.00 32.51 H new ATOM 0 HH22 ARG A 76 -10.664 9.224 -5.277 1.00 32.51 H new ATOM 1345 N ASN A 77 -6.857 3.334 0.463 1.00 50.01 N ATOM 1346 CA ASN A 77 -7.821 3.048 1.518 1.00 75.32 C ATOM 1347 C ASN A 77 -7.170 3.192 2.893 1.00 0.44 C ATOM 1348 O ASN A 77 -7.791 3.693 3.826 1.00 33.14 O ATOM 1349 CB ASN A 77 -8.411 1.646 1.339 1.00 32.22 C ATOM 1350 CG ASN A 77 -9.570 1.360 2.282 1.00 14.30 C ATOM 1351 OD1 ASN A 77 -9.813 0.212 2.651 1.00 71.20 O ATOM 1352 ND2 ASN A 77 -10.301 2.392 2.663 1.00 52.45 N ATOM 0 H ASN A 77 -6.543 2.514 -0.055 1.00 50.01 H new ATOM 0 HA ASN A 77 -8.634 3.771 1.450 1.00 75.32 H new ATOM 0 HB2 ASN A 77 -8.751 1.530 0.310 1.00 32.22 H new ATOM 0 HB3 ASN A 77 -7.628 0.906 1.501 1.00 32.22 H new ATOM 0 HD21 ASN A 77 -11.098 2.251 3.284 1.00 52.45 H new ATOM 0 HD22 ASN A 77 -10.069 3.330 2.336 1.00 52.45 H new ATOM 1359 N ALA A 78 -5.912 2.771 3.004 1.00 32.11 N ATOM 1360 CA ALA A 78 -5.161 2.916 4.250 1.00 53.12 C ATOM 1361 C ALA A 78 -5.037 4.387 4.632 1.00 64.40 C ATOM 1362 O ALA A 78 -5.284 4.777 5.780 1.00 31.41 O ATOM 1363 CB ALA A 78 -3.779 2.288 4.113 1.00 12.20 C ATOM 0 H ALA A 78 -5.391 2.327 2.248 1.00 32.11 H new ATOM 0 HA ALA A 78 -5.703 2.398 5.041 1.00 53.12 H new ATOM 0 HB1 ALA A 78 -3.232 2.404 5.049 1.00 12.20 H new ATOM 0 HB2 ALA A 78 -3.882 1.228 3.882 1.00 12.20 H new ATOM 0 HB3 ALA A 78 -3.233 2.782 3.310 1.00 12.20 H new ATOM 1369 N PHE A 79 -4.658 5.202 3.656 1.00 10.43 N ATOM 1370 CA PHE A 79 -4.573 6.639 3.853 1.00 44.14 C ATOM 1371 C PHE A 79 -5.945 7.231 4.132 1.00 43.31 C ATOM 1372 O PHE A 79 -6.062 8.226 4.837 1.00 42.20 O ATOM 1373 CB PHE A 79 -3.948 7.324 2.637 1.00 73.42 C ATOM 1374 CG PHE A 79 -2.449 7.277 2.625 1.00 62.20 C ATOM 1375 CD1 PHE A 79 -1.715 8.149 3.409 1.00 61.44 C ATOM 1376 CD2 PHE A 79 -1.775 6.364 1.834 1.00 70.22 C ATOM 1377 CE1 PHE A 79 -0.337 8.110 3.408 1.00 61.41 C ATOM 1378 CE2 PHE A 79 -0.396 6.320 1.826 1.00 61.10 C ATOM 1379 CZ PHE A 79 0.324 7.193 2.614 1.00 70.40 C ATOM 0 H PHE A 79 -4.405 4.889 2.719 1.00 10.43 H new ATOM 0 HA PHE A 79 -3.934 6.815 4.718 1.00 44.14 H new ATOM 0 HB2 PHE A 79 -4.325 6.851 1.730 1.00 73.42 H new ATOM 0 HB3 PHE A 79 -4.271 8.365 2.611 1.00 73.42 H new ATOM 0 HD1 PHE A 79 -2.228 8.869 4.029 1.00 61.44 H new ATOM 0 HD2 PHE A 79 -2.335 5.678 1.216 1.00 70.22 H new ATOM 0 HE1 PHE A 79 0.224 8.795 4.026 1.00 61.41 H new ATOM 0 HE2 PHE A 79 0.119 5.603 1.204 1.00 61.10 H new ATOM 0 HZ PHE A 79 1.403 7.160 2.610 1.00 70.40 H new ATOM 1389 N ASP A 80 -6.978 6.623 3.563 1.00 63.24 N ATOM 1390 CA ASP A 80 -8.344 7.102 3.746 1.00 44.25 C ATOM 1391 C ASP A 80 -8.752 7.033 5.217 1.00 50.32 C ATOM 1392 O ASP A 80 -9.308 7.991 5.759 1.00 21.31 O ATOM 1393 CB ASP A 80 -9.314 6.290 2.890 1.00 15.23 C ATOM 1394 CG ASP A 80 -10.686 6.923 2.814 1.00 62.44 C ATOM 1395 OD1 ASP A 80 -10.848 7.896 2.046 1.00 50.02 O ATOM 1396 OD2 ASP A 80 -11.605 6.450 3.510 1.00 1.04 O ATOM 0 H ASP A 80 -6.897 5.797 2.970 1.00 63.24 H new ATOM 0 HA ASP A 80 -8.383 8.144 3.427 1.00 44.25 H new ATOM 0 HB2 ASP A 80 -8.908 6.188 1.884 1.00 15.23 H new ATOM 0 HB3 ASP A 80 -9.403 5.285 3.301 1.00 15.23 H new ATOM 1401 N ASP A 81 -8.461 5.905 5.863 1.00 71.50 N ATOM 1402 CA ASP A 81 -8.714 5.755 7.299 1.00 65.33 C ATOM 1403 C ASP A 81 -7.937 6.805 8.087 1.00 73.43 C ATOM 1404 O ASP A 81 -8.448 7.390 9.044 1.00 2.31 O ATOM 1405 CB ASP A 81 -8.318 4.352 7.788 1.00 12.11 C ATOM 1406 CG ASP A 81 -9.350 3.283 7.474 1.00 10.24 C ATOM 1407 OD1 ASP A 81 -10.292 3.105 8.280 1.00 52.04 O ATOM 1408 OD2 ASP A 81 -9.212 2.596 6.442 1.00 61.04 O ATOM 0 H ASP A 81 -8.051 5.083 5.419 1.00 71.50 H new ATOM 0 HA ASP A 81 -9.782 5.894 7.464 1.00 65.33 H new ATOM 0 HB2 ASP A 81 -7.368 4.073 7.332 1.00 12.11 H new ATOM 0 HB3 ASP A 81 -8.157 4.384 8.866 1.00 12.11 H new ATOM 1413 N ALA A 82 -6.700 7.045 7.668 1.00 21.42 N ATOM 1414 CA ALA A 82 -5.842 8.026 8.320 1.00 24.24 C ATOM 1415 C ALA A 82 -6.364 9.454 8.129 1.00 54.40 C ATOM 1416 O ALA A 82 -6.525 10.204 9.093 1.00 41.03 O ATOM 1417 CB ALA A 82 -4.419 7.911 7.791 1.00 12.25 C ATOM 0 H ALA A 82 -6.267 6.571 6.875 1.00 21.42 H new ATOM 0 HA ALA A 82 -5.848 7.813 9.389 1.00 24.24 H new ATOM 0 HB1 ALA A 82 -3.786 8.649 8.285 1.00 12.25 H new ATOM 0 HB2 ALA A 82 -4.036 6.911 7.993 1.00 12.25 H new ATOM 0 HB3 ALA A 82 -4.415 8.091 6.716 1.00 12.25 H new ATOM 1423 N ILE A 83 -6.639 9.822 6.883 1.00 63.21 N ATOM 1424 CA ILE A 83 -7.036 11.186 6.547 1.00 72.44 C ATOM 1425 C ILE A 83 -8.396 11.539 7.146 1.00 22.20 C ATOM 1426 O ILE A 83 -8.634 12.686 7.522 1.00 41.22 O ATOM 1427 CB ILE A 83 -7.059 11.416 5.015 1.00 75.14 C ATOM 1428 CG1 ILE A 83 -7.253 12.901 4.698 1.00 62.53 C ATOM 1429 CG2 ILE A 83 -8.148 10.584 4.350 1.00 11.45 C ATOM 1430 CD1 ILE A 83 -7.252 13.210 3.216 1.00 31.01 C ATOM 0 H ILE A 83 -6.594 9.191 6.083 1.00 63.21 H new ATOM 0 HA ILE A 83 -6.284 11.845 6.982 1.00 72.44 H new ATOM 0 HB ILE A 83 -6.098 11.096 4.614 1.00 75.14 H new ATOM 0 HG12 ILE A 83 -8.196 13.236 5.130 1.00 62.53 H new ATOM 0 HG13 ILE A 83 -6.461 13.473 5.180 1.00 62.53 H new ATOM 0 HG21 ILE A 83 -8.140 10.766 3.275 1.00 11.45 H new ATOM 0 HG22 ILE A 83 -7.965 9.526 4.540 1.00 11.45 H new ATOM 0 HG23 ILE A 83 -9.119 10.863 4.758 1.00 11.45 H new ATOM 0 HD11 ILE A 83 -7.394 14.280 3.067 1.00 31.01 H new ATOM 0 HD12 ILE A 83 -6.299 12.907 2.782 1.00 31.01 H new ATOM 0 HD13 ILE A 83 -8.062 12.666 2.730 1.00 31.01 H new ATOM 1442 N HIS A 84 -9.277 10.548 7.258 1.00 33.24 N ATOM 1443 CA HIS A 84 -10.618 10.770 7.797 1.00 34.41 C ATOM 1444 C HIS A 84 -10.576 11.165 9.269 1.00 14.44 C ATOM 1445 O HIS A 84 -11.572 11.638 9.821 1.00 65.03 O ATOM 1446 CB HIS A 84 -11.491 9.528 7.616 1.00 33.31 C ATOM 1447 CG HIS A 84 -12.332 9.565 6.380 1.00 41.44 C ATOM 1448 ND1 HIS A 84 -13.572 10.162 6.338 1.00 0.31 N ATOM 1449 CD2 HIS A 84 -12.108 9.083 5.136 1.00 12.24 C ATOM 1450 CE1 HIS A 84 -14.076 10.045 5.125 1.00 42.14 C ATOM 1451 NE2 HIS A 84 -13.207 9.397 4.377 1.00 1.20 N ATOM 0 H HIS A 84 -9.088 9.584 6.983 1.00 33.24 H new ATOM 0 HA HIS A 84 -11.056 11.596 7.236 1.00 34.41 H new ATOM 0 HB2 HIS A 84 -10.852 8.646 7.585 1.00 33.31 H new ATOM 0 HB3 HIS A 84 -12.140 9.420 8.485 1.00 33.31 H new ATOM 0 HD2 HIS A 84 -11.229 8.551 4.803 1.00 12.24 H new ATOM 0 HE1 HIS A 84 -15.037 10.417 4.801 1.00 42.14 H new ATOM 0 HE2 HIS A 84 -13.331 9.166 3.391 1.00 1.20 H new ATOM 1460 N GLU A 85 -9.431 10.971 9.905 1.00 54.21 N ATOM 1461 CA GLU A 85 -9.273 11.360 11.298 1.00 74.03 C ATOM 1462 C GLU A 85 -8.285 12.517 11.423 1.00 25.25 C ATOM 1463 O GLU A 85 -8.436 13.390 12.279 1.00 2.33 O ATOM 1464 CB GLU A 85 -8.799 10.171 12.136 1.00 22.51 C ATOM 1465 CG GLU A 85 -8.816 10.447 13.630 1.00 42.13 C ATOM 1466 CD GLU A 85 -8.271 9.296 14.447 1.00 64.32 C ATOM 1467 OE1 GLU A 85 -8.973 8.273 14.583 1.00 5.10 O ATOM 1468 OE2 GLU A 85 -7.143 9.417 14.968 1.00 53.34 O ATOM 0 H GLU A 85 -8.603 10.550 9.483 1.00 54.21 H new ATOM 0 HA GLU A 85 -10.243 11.688 11.673 1.00 74.03 H new ATOM 0 HB2 GLU A 85 -9.433 9.310 11.925 1.00 22.51 H new ATOM 0 HB3 GLU A 85 -7.787 9.903 11.834 1.00 22.51 H new ATOM 0 HG2 GLU A 85 -8.229 11.342 13.836 1.00 42.13 H new ATOM 0 HG3 GLU A 85 -9.838 10.657 13.944 1.00 42.13 H new ATOM 1475 N GLY A 86 -7.286 12.524 10.553 1.00 64.12 N ATOM 1476 CA GLY A 86 -6.238 13.525 10.621 1.00 45.04 C ATOM 1477 C GLY A 86 -4.921 12.910 11.041 1.00 63.03 C ATOM 1478 O GLY A 86 -4.029 13.592 11.548 1.00 41.51 O ATOM 0 H GLY A 86 -7.181 11.849 9.795 1.00 64.12 H new ATOM 0 HA2 GLY A 86 -6.125 14.004 9.648 1.00 45.04 H new ATOM 0 HA3 GLY A 86 -6.521 14.304 11.329 1.00 45.04 H new ATOM 1482 N TYR A 87 -4.812 11.605 10.827 1.00 41.21 N ATOM 1483 CA TYR A 87 -3.628 10.846 11.197 1.00 41.33 C ATOM 1484 C TYR A 87 -2.459 11.199 10.278 1.00 23.55 C ATOM 1485 O TYR A 87 -1.297 11.168 10.686 1.00 21.25 O ATOM 1486 CB TYR A 87 -3.950 9.353 11.111 1.00 63.03 C ATOM 1487 CG TYR A 87 -2.948 8.447 11.784 1.00 24.31 C ATOM 1488 CD1 TYR A 87 -2.960 8.276 13.160 1.00 71.35 C ATOM 1489 CD2 TYR A 87 -2.010 7.745 11.041 1.00 5.40 C ATOM 1490 CE1 TYR A 87 -2.064 7.429 13.780 1.00 62.50 C ATOM 1491 CE2 TYR A 87 -1.108 6.899 11.654 1.00 41.22 C ATOM 1492 CZ TYR A 87 -1.140 6.741 13.023 1.00 21.30 C ATOM 1493 OH TYR A 87 -0.247 5.894 13.637 1.00 11.32 O ATOM 0 H TYR A 87 -5.544 11.044 10.391 1.00 41.21 H new ATOM 0 HA TYR A 87 -3.337 11.096 12.217 1.00 41.33 H new ATOM 0 HB2 TYR A 87 -4.930 9.181 11.557 1.00 63.03 H new ATOM 0 HB3 TYR A 87 -4.024 9.072 10.060 1.00 63.03 H new ATOM 0 HD1 TYR A 87 -3.682 8.814 13.756 1.00 71.35 H new ATOM 0 HD2 TYR A 87 -1.985 7.862 9.968 1.00 5.40 H new ATOM 0 HE1 TYR A 87 -2.087 7.306 14.853 1.00 62.50 H new ATOM 0 HE2 TYR A 87 -0.380 6.363 11.063 1.00 41.22 H new ATOM 0 HH TYR A 87 -0.255 5.025 13.183 1.00 11.32 H new ATOM 1503 N VAL A 88 -2.784 11.552 9.041 1.00 53.01 N ATOM 1504 CA VAL A 88 -1.777 11.905 8.054 1.00 53.45 C ATOM 1505 C VAL A 88 -1.914 13.377 7.654 1.00 52.13 C ATOM 1506 O VAL A 88 -2.982 13.973 7.808 1.00 11.41 O ATOM 1507 CB VAL A 88 -1.885 11.001 6.802 1.00 24.14 C ATOM 1508 CG1 VAL A 88 -3.196 11.237 6.070 1.00 32.21 C ATOM 1509 CG2 VAL A 88 -0.697 11.199 5.870 1.00 52.43 C ATOM 0 H VAL A 88 -3.743 11.601 8.698 1.00 53.01 H new ATOM 0 HA VAL A 88 -0.796 11.750 8.504 1.00 53.45 H new ATOM 0 HB VAL A 88 -1.870 9.965 7.141 1.00 24.14 H new ATOM 0 HG11 VAL A 88 -3.246 10.589 5.195 1.00 32.21 H new ATOM 0 HG12 VAL A 88 -4.030 11.013 6.735 1.00 32.21 H new ATOM 0 HG13 VAL A 88 -3.254 12.279 5.754 1.00 32.21 H new ATOM 0 HG21 VAL A 88 -0.804 10.550 5.001 1.00 52.43 H new ATOM 0 HG22 VAL A 88 -0.660 12.238 5.544 1.00 52.43 H new ATOM 0 HG23 VAL A 88 0.224 10.951 6.397 1.00 52.43 H new ATOM 1519 N ILE A 89 -0.827 13.962 7.166 1.00 11.35 N ATOM 1520 CA ILE A 89 -0.831 15.355 6.740 1.00 52.43 C ATOM 1521 C ILE A 89 -1.455 15.494 5.354 1.00 11.42 C ATOM 1522 O ILE A 89 -2.481 16.159 5.180 1.00 34.31 O ATOM 1523 CB ILE A 89 0.598 15.938 6.711 1.00 71.40 C ATOM 1524 CG1 ILE A 89 1.252 15.830 8.093 1.00 52.02 C ATOM 1525 CG2 ILE A 89 0.576 17.387 6.236 1.00 71.03 C ATOM 1526 CD1 ILE A 89 0.489 16.543 9.187 1.00 34.13 C ATOM 0 H ILE A 89 0.071 13.491 7.055 1.00 11.35 H new ATOM 0 HA ILE A 89 -1.425 15.912 7.465 1.00 52.43 H new ATOM 0 HB ILE A 89 1.192 15.357 6.006 1.00 71.40 H new ATOM 0 HG12 ILE A 89 1.349 14.777 8.357 1.00 52.02 H new ATOM 0 HG13 ILE A 89 2.261 16.240 8.040 1.00 52.02 H new ATOM 0 HG21 ILE A 89 1.592 17.781 6.222 1.00 71.03 H new ATOM 0 HG22 ILE A 89 0.155 17.434 5.232 1.00 71.03 H new ATOM 0 HG23 ILE A 89 -0.035 17.983 6.914 1.00 71.03 H new ATOM 0 HD11 ILE A 89 1.013 16.422 10.135 1.00 34.13 H new ATOM 0 HD12 ILE A 89 0.414 17.604 8.947 1.00 34.13 H new ATOM 0 HD13 ILE A 89 -0.512 16.118 9.269 1.00 34.13 H new ATOM 1538 N LYS A 90 -0.832 14.857 4.372 1.00 61.05 N ATOM 1539 CA LYS A 90 -1.299 14.932 2.998 1.00 3.31 C ATOM 1540 C LYS A 90 -1.041 13.615 2.280 1.00 13.20 C ATOM 1541 O LYS A 90 0.046 13.037 2.389 1.00 65.42 O ATOM 1542 CB LYS A 90 -0.614 16.088 2.266 1.00 4.22 C ATOM 1543 CG LYS A 90 -1.130 16.302 0.852 1.00 23.40 C ATOM 1544 CD LYS A 90 -0.569 17.572 0.232 1.00 64.15 C ATOM 1545 CE LYS A 90 -0.998 18.812 1.005 1.00 11.21 C ATOM 1546 NZ LYS A 90 -2.478 18.939 1.080 1.00 53.55 N ATOM 0 H LYS A 90 -0.000 14.282 4.504 1.00 61.05 H new ATOM 0 HA LYS A 90 -2.373 15.117 3.003 1.00 3.31 H new ATOM 0 HB2 LYS A 90 -0.756 17.005 2.838 1.00 4.22 H new ATOM 0 HB3 LYS A 90 0.459 15.899 2.228 1.00 4.22 H new ATOM 0 HG2 LYS A 90 -0.861 15.446 0.233 1.00 23.40 H new ATOM 0 HG3 LYS A 90 -2.219 16.355 0.866 1.00 23.40 H new ATOM 0 HD2 LYS A 90 0.519 17.516 0.209 1.00 64.15 H new ATOM 0 HD3 LYS A 90 -0.906 17.652 -0.801 1.00 64.15 H new ATOM 0 HE2 LYS A 90 -0.586 18.771 2.013 1.00 11.21 H new ATOM 0 HE3 LYS A 90 -0.582 19.699 0.527 1.00 11.21 H new ATOM 0 HZ1 LYS A 90 -2.728 19.892 1.414 1.00 53.55 H new ATOM 0 HZ2 LYS A 90 -2.888 18.784 0.137 1.00 53.55 H new ATOM 0 HZ3 LYS A 90 -2.854 18.230 1.742 1.00 53.55 H new ATOM 1560 N ASN A 91 -2.045 13.154 1.554 1.00 12.33 N ATOM 1561 CA ASN A 91 -1.981 11.880 0.855 1.00 71.52 C ATOM 1562 C ASN A 91 -1.124 11.989 -0.404 1.00 54.10 C ATOM 1563 O ASN A 91 -1.142 13.002 -1.100 1.00 21.44 O ATOM 1564 CB ASN A 91 -3.392 11.404 0.485 1.00 52.45 C ATOM 1565 CG ASN A 91 -4.229 11.017 1.695 1.00 11.13 C ATOM 1566 OD1 ASN A 91 -4.006 11.499 2.803 1.00 0.23 O ATOM 1567 ND2 ASN A 91 -5.212 10.157 1.486 1.00 44.43 N ATOM 0 H ASN A 91 -2.927 13.651 1.432 1.00 12.33 H new ATOM 0 HA ASN A 91 -1.521 11.152 1.524 1.00 71.52 H new ATOM 0 HB2 ASN A 91 -3.903 12.195 -0.065 1.00 52.45 H new ATOM 0 HB3 ASN A 91 -3.316 10.548 -0.185 1.00 52.45 H new ATOM 0 HD21 ASN A 91 -5.815 9.874 2.259 1.00 44.43 H new ATOM 0 HD22 ASN A 91 -5.368 9.777 0.552 1.00 44.43 H new ATOM 1574 N PRO A 92 -0.342 10.944 -0.701 1.00 32.22 N ATOM 1575 CA PRO A 92 0.485 10.888 -1.904 1.00 72.55 C ATOM 1576 C PRO A 92 -0.278 10.346 -3.109 1.00 10.11 C ATOM 1577 O PRO A 92 0.284 10.188 -4.191 1.00 74.15 O ATOM 1578 CB PRO A 92 1.581 9.914 -1.497 1.00 51.15 C ATOM 1579 CG PRO A 92 0.902 8.957 -0.577 1.00 12.15 C ATOM 1580 CD PRO A 92 -0.179 9.738 0.131 1.00 33.35 C ATOM 0 HA PRO A 92 0.840 11.871 -2.213 1.00 72.55 H new ATOM 0 HB2 PRO A 92 2.000 9.403 -2.364 1.00 51.15 H new ATOM 0 HB3 PRO A 92 2.404 10.427 -1.000 1.00 51.15 H new ATOM 0 HG2 PRO A 92 0.477 8.121 -1.132 1.00 12.15 H new ATOM 0 HG3 PRO A 92 1.610 8.538 0.138 1.00 12.15 H new ATOM 0 HD2 PRO A 92 -1.106 9.169 0.197 1.00 33.35 H new ATOM 0 HD3 PRO A 92 0.112 9.991 1.150 1.00 33.35 H new ATOM 1588 N THR A 93 -1.568 10.099 -2.918 1.00 25.21 N ATOM 1589 CA THR A 93 -2.396 9.450 -3.926 1.00 31.33 C ATOM 1590 C THR A 93 -2.766 10.394 -5.071 1.00 24.43 C ATOM 1591 O THR A 93 -3.595 10.056 -5.914 1.00 71.45 O ATOM 1592 CB THR A 93 -3.678 8.898 -3.285 1.00 61.11 C ATOM 1593 OG1 THR A 93 -4.241 9.890 -2.416 1.00 73.41 O ATOM 1594 CG2 THR A 93 -3.390 7.629 -2.499 1.00 3.21 C ATOM 0 H THR A 93 -2.068 10.342 -2.063 1.00 25.21 H new ATOM 0 HA THR A 93 -1.806 8.634 -4.344 1.00 31.33 H new ATOM 0 HB THR A 93 -4.387 8.655 -4.077 1.00 61.11 H new ATOM 0 HG1 THR A 93 -5.060 9.540 -2.007 1.00 73.41 H new ATOM 0 HG21 THR A 93 -4.314 7.258 -2.055 1.00 3.21 H new ATOM 0 HG22 THR A 93 -2.979 6.872 -3.167 1.00 3.21 H new ATOM 0 HG23 THR A 93 -2.670 7.845 -1.710 1.00 3.21 H new ATOM 1602 N TYR A 94 -2.159 11.577 -5.091 1.00 75.32 N ATOM 1603 CA TYR A 94 -2.365 12.521 -6.180 1.00 31.34 C ATOM 1604 C TYR A 94 -1.893 11.906 -7.494 1.00 13.20 C ATOM 1605 O TYR A 94 -2.653 11.804 -8.456 1.00 21.35 O ATOM 1606 CB TYR A 94 -1.616 13.826 -5.907 1.00 63.53 C ATOM 1607 CG TYR A 94 -1.761 14.846 -7.010 1.00 5.23 C ATOM 1608 CD1 TYR A 94 -2.911 15.613 -7.118 1.00 55.44 C ATOM 1609 CD2 TYR A 94 -0.750 15.040 -7.943 1.00 52.03 C ATOM 1610 CE1 TYR A 94 -3.054 16.545 -8.124 1.00 24.43 C ATOM 1611 CE2 TYR A 94 -0.886 15.972 -8.953 1.00 53.45 C ATOM 1612 CZ TYR A 94 -2.040 16.722 -9.039 1.00 52.11 C ATOM 1613 OH TYR A 94 -2.184 17.655 -10.043 1.00 31.21 O ATOM 0 H TYR A 94 -1.521 11.903 -4.365 1.00 75.32 H new ATOM 0 HA TYR A 94 -3.429 12.745 -6.254 1.00 31.34 H new ATOM 0 HB2 TYR A 94 -1.981 14.257 -4.975 1.00 63.53 H new ATOM 0 HB3 TYR A 94 -0.558 13.605 -5.764 1.00 63.53 H new ATOM 0 HD1 TYR A 94 -3.708 15.478 -6.402 1.00 55.44 H new ATOM 0 HD2 TYR A 94 0.155 14.454 -7.878 1.00 52.03 H new ATOM 0 HE1 TYR A 94 -3.957 17.133 -8.194 1.00 24.43 H new ATOM 0 HE2 TYR A 94 -0.092 16.113 -9.672 1.00 53.45 H new ATOM 0 HH TYR A 94 -1.381 17.658 -10.604 1.00 31.21 H new ATOM 1623 N LYS A 95 -0.635 11.485 -7.522 1.00 51.42 N ATOM 1624 CA LYS A 95 -0.098 10.781 -8.671 1.00 0.10 C ATOM 1625 C LYS A 95 -0.246 9.280 -8.476 1.00 22.30 C ATOM 1626 O LYS A 95 0.704 8.586 -8.117 1.00 41.21 O ATOM 1627 CB LYS A 95 1.365 11.147 -8.925 1.00 60.23 C ATOM 1628 CG LYS A 95 1.538 12.384 -9.791 1.00 42.52 C ATOM 1629 CD LYS A 95 2.994 12.609 -10.165 1.00 23.10 C ATOM 1630 CE LYS A 95 3.125 13.639 -11.279 1.00 61.23 C ATOM 1631 NZ LYS A 95 2.462 13.190 -12.536 1.00 11.00 N ATOM 0 H LYS A 95 0.030 11.621 -6.760 1.00 51.42 H new ATOM 0 HA LYS A 95 -0.667 11.086 -9.549 1.00 0.10 H new ATOM 0 HB2 LYS A 95 1.862 11.310 -7.969 1.00 60.23 H new ATOM 0 HB3 LYS A 95 1.864 10.305 -9.404 1.00 60.23 H new ATOM 0 HG2 LYS A 95 0.941 12.280 -10.697 1.00 42.52 H new ATOM 0 HG3 LYS A 95 1.160 13.257 -9.259 1.00 42.52 H new ATOM 0 HD2 LYS A 95 3.549 12.945 -9.289 1.00 23.10 H new ATOM 0 HD3 LYS A 95 3.440 11.667 -10.483 1.00 23.10 H new ATOM 0 HE2 LYS A 95 2.685 14.582 -10.954 1.00 61.23 H new ATOM 0 HE3 LYS A 95 4.180 13.830 -11.474 1.00 61.23 H new ATOM 0 HZ1 LYS A 95 2.881 13.689 -13.347 1.00 11.00 H new ATOM 0 HZ2 LYS A 95 2.597 12.165 -12.653 1.00 11.00 H new ATOM 0 HZ3 LYS A 95 1.445 13.402 -12.487 1.00 11.00 H new ATOM 1645 N ALA A 96 -1.463 8.801 -8.678 1.00 31.45 N ATOM 1646 CA ALA A 96 -1.770 7.387 -8.535 1.00 0.33 C ATOM 1647 C ALA A 96 -1.963 6.751 -9.905 1.00 30.42 C ATOM 1648 O ALA A 96 -2.769 5.832 -10.075 1.00 34.14 O ATOM 1649 CB ALA A 96 -3.019 7.207 -7.681 1.00 23.32 C ATOM 0 H ALA A 96 -2.261 9.377 -8.944 1.00 31.45 H new ATOM 0 HA ALA A 96 -0.936 6.892 -8.038 1.00 0.33 H new ATOM 0 HB1 ALA A 96 -3.241 6.145 -7.580 1.00 23.32 H new ATOM 0 HB2 ALA A 96 -2.850 7.638 -6.694 1.00 23.32 H new ATOM 0 HB3 ALA A 96 -3.861 7.709 -8.157 1.00 23.32 H new ATOM 1655 N GLU A 97 -1.215 7.246 -10.881 1.00 54.31 N ATOM 1656 CA GLU A 97 -1.307 6.753 -12.245 1.00 62.42 C ATOM 1657 C GLU A 97 -0.767 5.332 -12.330 1.00 54.23 C ATOM 1658 O GLU A 97 0.421 5.093 -12.117 1.00 11.41 O ATOM 1659 CB GLU A 97 -0.524 7.658 -13.188 1.00 73.13 C ATOM 1660 CG GLU A 97 -0.962 9.111 -13.162 1.00 61.41 C ATOM 1661 CD GLU A 97 -0.057 9.992 -13.996 1.00 70.43 C ATOM 1662 OE1 GLU A 97 0.420 9.521 -15.054 1.00 33.42 O ATOM 1663 OE2 GLU A 97 0.199 11.149 -13.596 1.00 50.13 O ATOM 0 H GLU A 97 -0.534 7.994 -10.750 1.00 54.31 H new ATOM 0 HA GLU A 97 -2.356 6.753 -12.542 1.00 62.42 H new ATOM 0 HB2 GLU A 97 0.534 7.604 -12.930 1.00 73.13 H new ATOM 0 HB3 GLU A 97 -0.624 7.278 -14.205 1.00 73.13 H new ATOM 0 HG2 GLU A 97 -1.984 9.188 -13.532 1.00 61.41 H new ATOM 0 HG3 GLU A 97 -0.968 9.469 -12.133 1.00 61.41 H new ATOM 1670 N LEU A 98 -1.641 4.394 -12.637 1.00 40.22 N ATOM 1671 CA LEU A 98 -1.262 2.995 -12.714 1.00 41.11 C ATOM 1672 C LEU A 98 -0.567 2.698 -14.038 1.00 42.14 C ATOM 1673 O LEU A 98 -1.217 2.477 -15.057 1.00 52.32 O ATOM 1674 CB LEU A 98 -2.498 2.112 -12.544 1.00 55.32 C ATOM 1675 CG LEU A 98 -3.267 2.342 -11.242 1.00 22.32 C ATOM 1676 CD1 LEU A 98 -4.542 1.518 -11.215 1.00 32.33 C ATOM 1677 CD2 LEU A 98 -2.389 2.005 -10.051 1.00 62.15 C ATOM 0 H LEU A 98 -2.624 4.576 -12.838 1.00 40.22 H new ATOM 0 HA LEU A 98 -0.560 2.776 -11.909 1.00 41.11 H new ATOM 0 HB2 LEU A 98 -3.171 2.285 -13.384 1.00 55.32 H new ATOM 0 HB3 LEU A 98 -2.192 1.067 -12.591 1.00 55.32 H new ATOM 0 HG LEU A 98 -3.545 3.395 -11.186 1.00 22.32 H new ATOM 0 HD11 LEU A 98 -5.072 1.698 -10.280 1.00 32.33 H new ATOM 0 HD12 LEU A 98 -5.178 1.804 -12.053 1.00 32.33 H new ATOM 0 HD13 LEU A 98 -4.293 0.460 -11.293 1.00 32.33 H new ATOM 0 HD21 LEU A 98 -2.946 2.172 -9.129 1.00 62.15 H new ATOM 0 HD22 LEU A 98 -2.086 0.960 -10.107 1.00 62.15 H new ATOM 0 HD23 LEU A 98 -1.504 2.641 -10.060 1.00 62.15 H new ATOM 1689 N HIS A 99 0.758 2.720 -14.019 1.00 14.15 N ATOM 1690 CA HIS A 99 1.538 2.477 -15.224 1.00 15.41 C ATOM 1691 C HIS A 99 2.090 1.057 -15.240 1.00 73.04 C ATOM 1692 O HIS A 99 3.172 0.794 -14.720 1.00 35.33 O ATOM 1693 CB HIS A 99 2.684 3.488 -15.353 1.00 14.02 C ATOM 1694 CG HIS A 99 2.227 4.886 -15.635 1.00 2.25 C ATOM 1695 ND1 HIS A 99 1.853 5.315 -16.891 1.00 42.45 N ATOM 1696 CD2 HIS A 99 2.078 5.955 -14.818 1.00 31.44 C ATOM 1697 CE1 HIS A 99 1.494 6.583 -16.835 1.00 32.12 C ATOM 1698 NE2 HIS A 99 1.621 6.997 -15.590 1.00 33.34 N ATOM 0 H HIS A 99 1.315 2.903 -13.184 1.00 14.15 H new ATOM 0 HA HIS A 99 0.870 2.600 -16.077 1.00 15.41 H new ATOM 0 HB2 HIS A 99 3.265 3.485 -14.431 1.00 14.02 H new ATOM 0 HB3 HIS A 99 3.352 3.166 -16.152 1.00 14.02 H new ATOM 0 HD2 HIS A 99 2.280 5.984 -13.758 1.00 31.44 H new ATOM 0 HE1 HIS A 99 1.154 7.181 -17.668 1.00 32.12 H new ATOM 0 HE2 HIS A 99 1.414 7.938 -15.254 1.00 33.34 H new ATOM 1707 N ALA A 100 1.326 0.142 -15.820 1.00 22.42 N ATOM 1708 CA ALA A 100 1.767 -1.236 -15.968 1.00 33.10 C ATOM 1709 C ALA A 100 2.450 -1.417 -17.318 1.00 2.41 C ATOM 1710 O ALA A 100 1.798 -1.680 -18.329 1.00 44.34 O ATOM 1711 CB ALA A 100 0.594 -2.194 -15.819 1.00 12.14 C ATOM 0 H ALA A 100 0.397 0.330 -16.196 1.00 22.42 H new ATOM 0 HA ALA A 100 2.485 -1.465 -15.180 1.00 33.10 H new ATOM 0 HB1 ALA A 100 0.945 -3.220 -15.933 1.00 12.14 H new ATOM 0 HB2 ALA A 100 0.147 -2.071 -14.833 1.00 12.14 H new ATOM 0 HB3 ALA A 100 -0.151 -1.978 -16.585 1.00 12.14 H new ATOM 1717 N SER A 101 3.767 -1.269 -17.325 1.00 70.32 N ATOM 1718 CA SER A 101 4.530 -1.276 -18.564 1.00 41.03 C ATOM 1719 C SER A 101 4.889 -2.699 -18.990 1.00 64.31 C ATOM 1720 O SER A 101 5.679 -2.900 -19.915 1.00 42.33 O ATOM 1721 CB SER A 101 5.796 -0.429 -18.401 1.00 52.34 C ATOM 1722 OG SER A 101 6.494 -0.301 -19.630 1.00 22.04 O ATOM 0 H SER A 101 4.330 -1.142 -16.484 1.00 70.32 H new ATOM 0 HA SER A 101 3.909 -0.844 -19.349 1.00 41.03 H new ATOM 0 HB2 SER A 101 5.529 0.560 -18.028 1.00 52.34 H new ATOM 0 HB3 SER A 101 6.448 -0.886 -17.656 1.00 52.34 H new ATOM 0 HG SER A 101 6.457 -1.151 -20.117 1.00 22.04 H new