USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 789 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 104 SER OG : rot 100:sc= 0.761 USER MOD Set 1.2: A 120 SER OG : rot -123:sc= -0.247! USER MOD Set 2.1: A 58 MET CE :methyl -133:sc= -0.691 (180deg=-0.61) USER MOD Set 2.2: A 103 SER OG : rot 160:sc= -0.163 USER MOD Set 3.1: A 43 LYS NZ :NH3+ 174:sc= 1.52 (180deg=1.39) USER MOD Set 3.2: A 85 ASN : amide:sc= -0.609 X(o=0.91,f=0.74) USER MOD Set 4.1: A 62 GLN : amide:sc= -4.57! C(o=-4.6!,f=-6!) USER MOD Set 4.2: A 67 SER OG : rot 180:sc= 0.00248 USER MOD Set 5.1: A 47 GLN : amide:sc= -2.24 X(o=-2,f=-1.9) USER MOD Set 5.2: A 98 THR OG1 : rot -90:sc= 0.288 USER MOD Single : A 27 SER OG : rot -140:sc= -2.32! USER MOD Single : A 29 TYR OH : rot -135:sc= 0.00655 USER MOD Single : A 34 GLN : amide:sc= -0.801 K(o=-0.8,f=0) USER MOD Single : A 38 THR OG1 : rot 178:sc= 0.00938 USER MOD Single : A 40 SER OG : rot -148:sc= 0.731 USER MOD Single : A 41 ASN : amide:sc= -1.44! K(o=-1.4!,f=-0.023) USER MOD Single : A 42 SER OG : rot 140:sc= 0.087 USER MOD Single : A 45 GLN : amide:sc= 0.117 X(o=0.12,f=-0.22) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -175:sc= 0.905 (180deg=0.898) USER MOD Single : A 57 HIS : no HD1:sc= -0.897 K(o=-0.9,f=-3!) USER MOD Single : A 61 SER OG : rot 158:sc= 0.287 USER MOD Single : A 63 SER OG : rot -29:sc= 1.26 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= -1.16 K(o=-1.2,f=-0.0097) USER MOD Single : A 75 SER OG : rot 180:sc= 0.08 USER MOD Single : A 76 GLN : amide:sc= 1.05 K(o=1,f=-0.18) USER MOD Single : A 78 SER OG : rot 180:sc= -0.0913 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 120:sc= -0.172 USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.0353 USER MOD Single : A 102 GLN : amide:sc= -0.153 X(o=-0.15,f=-0.39) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -1.1 K(o=-1.1,f=-0.17) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 116 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 HIS : no HE2:sc= 0.837 K(o=0.84,f=-3.3!) USER MOD Single : A 126 HIS : no HD1:sc= -0.165 X(o=-0.17,f=-0.57) USER MOD Single : A 127 SER OG : rot 146:sc= 0.189 USER MOD Single : A 131 THR OG1 : rot 180:sc= -1.57! USER MOD ----------------------------------------------------------------- ATOM 25 N LEU A 26 -101.243 -9.260 -25.562 1.00 0.00 N ATOM 26 CA LEU A 26 -99.845 -8.847 -25.623 1.00 0.00 C ATOM 27 C LEU A 26 -99.230 -9.203 -26.972 1.00 0.00 C ATOM 28 O LEU A 26 -98.304 -10.004 -27.048 1.00 0.00 O ATOM 29 CB LEU A 26 -99.040 -9.505 -24.494 1.00 0.00 C ATOM 30 CG LEU A 26 -99.533 -9.210 -23.074 1.00 0.00 C ATOM 31 CD1 LEU A 26 -98.707 -9.976 -22.054 1.00 0.00 C ATOM 32 CD2 LEU A 26 -99.479 -7.719 -22.783 1.00 0.00 C ATOM 0 HA LEU A 26 -99.810 -7.765 -25.500 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -99.049 -10.584 -24.646 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -98.002 -9.181 -24.574 1.00 0.00 H new ATOM 0 HG LEU A 26 -100.570 -9.537 -23.000 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -99.071 -9.754 -21.051 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -98.795 -11.046 -22.244 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -97.662 -9.678 -22.135 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -99.834 -7.533 -21.769 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -98.452 -7.367 -22.878 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -100.113 -7.187 -23.492 1.00 0.00 H new ATOM 44 N SER A 27 -99.781 -8.654 -28.036 1.00 0.00 N ATOM 45 CA SER A 27 -99.262 -8.909 -29.365 1.00 0.00 C ATOM 46 C SER A 27 -99.400 -7.677 -30.242 1.00 0.00 C ATOM 47 O SER A 27 -100.097 -6.731 -29.888 1.00 0.00 O ATOM 48 CB SER A 27 -99.998 -10.089 -29.992 1.00 0.00 C ATOM 49 OG SER A 27 -99.545 -10.347 -31.312 1.00 0.00 O ATOM 0 H SER A 27 -100.587 -8.029 -28.007 1.00 0.00 H new ATOM 0 HA SER A 27 -98.203 -9.152 -29.284 1.00 0.00 H new ATOM 0 HB2 SER A 27 -99.853 -10.977 -29.377 1.00 0.00 H new ATOM 0 HB3 SER A 27 -101.068 -9.884 -30.008 1.00 0.00 H new ATOM 0 HG SER A 27 -100.308 -10.582 -31.880 1.00 0.00 H new ATOM 55 N TRP A 28 -98.760 -7.708 -31.403 1.00 0.00 N ATOM 56 CA TRP A 28 -98.821 -6.585 -32.332 1.00 0.00 C ATOM 57 C TRP A 28 -100.141 -6.553 -33.102 1.00 0.00 C ATOM 58 O TRP A 28 -100.295 -5.785 -34.053 1.00 0.00 O ATOM 59 CB TRP A 28 -97.627 -6.590 -33.296 1.00 0.00 C ATOM 60 CG TRP A 28 -97.220 -7.941 -33.805 1.00 0.00 C ATOM 61 CD1 TRP A 28 -98.019 -9.026 -34.044 1.00 0.00 C ATOM 62 CD2 TRP A 28 -95.895 -8.335 -34.158 1.00 0.00 C ATOM 63 NE1 TRP A 28 -97.260 -10.075 -34.504 1.00 0.00 N ATOM 64 CE2 TRP A 28 -95.951 -9.671 -34.588 1.00 0.00 C ATOM 65 CE3 TRP A 28 -94.661 -7.680 -34.146 1.00 0.00 C ATOM 66 CZ2 TRP A 28 -94.818 -10.364 -35.007 1.00 0.00 C ATOM 67 CZ3 TRP A 28 -93.538 -8.368 -34.561 1.00 0.00 C ATOM 68 CH2 TRP A 28 -93.622 -9.698 -34.985 1.00 0.00 C ATOM 0 H TRP A 28 -98.195 -8.494 -31.724 1.00 0.00 H new ATOM 0 HA TRP A 28 -98.768 -5.676 -31.733 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -97.867 -5.956 -34.149 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -96.773 -6.137 -32.793 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -99.088 -9.054 -33.893 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -97.612 -11.002 -34.744 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -94.587 -6.654 -33.818 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -94.881 -11.390 -35.338 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -92.579 -7.871 -34.558 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -92.725 -10.210 -35.301 1.00 0.00 H new ATOM 79 N TYR A 29 -101.093 -7.383 -32.688 1.00 0.00 N ATOM 80 CA TYR A 29 -102.450 -7.291 -33.211 1.00 0.00 C ATOM 81 C TYR A 29 -103.315 -6.499 -32.237 1.00 0.00 C ATOM 82 O TYR A 29 -104.447 -6.124 -32.545 1.00 0.00 O ATOM 83 CB TYR A 29 -103.067 -8.676 -33.510 1.00 0.00 C ATOM 84 CG TYR A 29 -103.122 -9.654 -32.346 1.00 0.00 C ATOM 85 CD1 TYR A 29 -103.855 -9.379 -31.198 1.00 0.00 C ATOM 86 CD2 TYR A 29 -102.454 -10.871 -32.416 1.00 0.00 C ATOM 87 CE1 TYR A 29 -103.914 -10.281 -30.154 1.00 0.00 C ATOM 88 CE2 TYR A 29 -102.510 -11.780 -31.374 1.00 0.00 C ATOM 89 CZ TYR A 29 -103.241 -11.479 -30.245 1.00 0.00 C ATOM 90 OH TYR A 29 -103.291 -12.377 -29.200 1.00 0.00 O ATOM 0 H TYR A 29 -100.951 -8.121 -31.998 1.00 0.00 H new ATOM 0 HA TYR A 29 -102.408 -6.768 -34.167 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -104.081 -8.526 -33.879 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -102.498 -9.137 -34.318 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -104.388 -8.443 -31.121 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -101.881 -11.111 -33.299 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -104.486 -10.047 -29.268 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -101.984 -12.720 -31.445 1.00 0.00 H new ATOM 0 HH TYR A 29 -102.393 -12.729 -29.028 1.00 0.00 H new ATOM 100 N ASP A 30 -102.763 -6.244 -31.056 1.00 0.00 N ATOM 101 CA ASP A 30 -103.411 -5.410 -30.067 1.00 0.00 C ATOM 102 C ASP A 30 -103.090 -3.949 -30.363 1.00 0.00 C ATOM 103 O ASP A 30 -101.922 -3.567 -30.414 1.00 0.00 O ATOM 104 CB ASP A 30 -102.924 -5.769 -28.657 1.00 0.00 C ATOM 105 CG ASP A 30 -103.351 -7.151 -28.194 1.00 0.00 C ATOM 106 OD1 ASP A 30 -104.466 -7.283 -27.647 1.00 0.00 O ATOM 107 OD2 ASP A 30 -102.564 -8.108 -28.343 1.00 0.00 O ATOM 0 H ASP A 30 -101.857 -6.611 -30.764 1.00 0.00 H new ATOM 0 HA ASP A 30 -104.488 -5.573 -30.113 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -101.836 -5.708 -28.632 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -103.301 -5.027 -27.953 1.00 0.00 H new ATOM 112 N PRO A 31 -104.117 -3.112 -30.554 1.00 0.00 N ATOM 113 CA PRO A 31 -103.929 -1.696 -30.890 1.00 0.00 C ATOM 114 C PRO A 31 -103.371 -0.900 -29.717 1.00 0.00 C ATOM 115 O PRO A 31 -102.934 0.242 -29.868 1.00 0.00 O ATOM 116 CB PRO A 31 -105.339 -1.222 -31.238 1.00 0.00 C ATOM 117 CG PRO A 31 -106.251 -2.157 -30.519 1.00 0.00 C ATOM 118 CD PRO A 31 -105.537 -3.479 -30.452 1.00 0.00 C ATOM 0 HA PRO A 31 -103.211 -1.557 -31.698 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -105.499 -0.192 -30.919 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -105.511 -1.253 -32.314 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -106.477 -1.787 -29.519 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -107.201 -2.255 -31.045 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -105.750 -4.002 -29.520 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -105.840 -4.139 -31.265 1.00 0.00 H new ATOM 126 N ASP A 32 -103.385 -1.527 -28.551 1.00 0.00 N ATOM 127 CA ASP A 32 -102.889 -0.907 -27.331 1.00 0.00 C ATOM 128 C ASP A 32 -101.466 -1.350 -27.046 1.00 0.00 C ATOM 129 O ASP A 32 -100.850 -0.898 -26.081 1.00 0.00 O ATOM 130 CB ASP A 32 -103.777 -1.273 -26.140 1.00 0.00 C ATOM 131 CG ASP A 32 -105.149 -0.645 -26.219 1.00 0.00 C ATOM 132 OD1 ASP A 32 -106.050 -1.253 -26.833 1.00 0.00 O ATOM 133 OD2 ASP A 32 -105.332 0.457 -25.660 1.00 0.00 O ATOM 0 H ASP A 32 -103.738 -2.475 -28.423 1.00 0.00 H new ATOM 0 HA ASP A 32 -102.908 0.173 -27.476 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -103.881 -2.357 -26.089 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -103.290 -0.956 -25.218 1.00 0.00 H new ATOM 138 N PHE A 33 -100.941 -2.230 -27.887 1.00 0.00 N ATOM 139 CA PHE A 33 -99.614 -2.774 -27.668 1.00 0.00 C ATOM 140 C PHE A 33 -98.569 -1.858 -28.289 1.00 0.00 C ATOM 141 O PHE A 33 -98.697 -1.434 -29.439 1.00 0.00 O ATOM 142 CB PHE A 33 -99.521 -4.189 -28.242 1.00 0.00 C ATOM 143 CG PHE A 33 -98.546 -5.070 -27.515 1.00 0.00 C ATOM 144 CD1 PHE A 33 -98.660 -5.256 -26.147 1.00 0.00 C ATOM 145 CD2 PHE A 33 -97.532 -5.726 -28.193 1.00 0.00 C ATOM 146 CE1 PHE A 33 -97.780 -6.077 -25.469 1.00 0.00 C ATOM 147 CE2 PHE A 33 -96.649 -6.546 -27.518 1.00 0.00 C ATOM 148 CZ PHE A 33 -96.773 -6.721 -26.155 1.00 0.00 C ATOM 0 H PHE A 33 -101.412 -2.579 -28.721 1.00 0.00 H new ATOM 0 HA PHE A 33 -99.422 -2.833 -26.597 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -100.508 -4.650 -28.211 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -99.231 -4.128 -29.291 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -99.446 -4.753 -25.604 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -97.431 -5.595 -29.260 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -97.881 -6.214 -24.403 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -95.861 -7.051 -28.057 1.00 0.00 H new ATOM 0 HZ PHE A 33 -96.082 -7.361 -25.627 1.00 0.00 H new ATOM 158 N GLN A 34 -97.546 -1.534 -27.514 1.00 0.00 N ATOM 159 CA GLN A 34 -96.542 -0.573 -27.944 1.00 0.00 C ATOM 160 C GLN A 34 -95.287 -1.273 -28.450 1.00 0.00 C ATOM 161 O GLN A 34 -94.597 -1.959 -27.697 1.00 0.00 O ATOM 162 CB GLN A 34 -96.193 0.368 -26.790 1.00 0.00 C ATOM 163 CG GLN A 34 -97.370 1.207 -26.315 1.00 0.00 C ATOM 164 CD GLN A 34 -97.067 1.986 -25.048 1.00 0.00 C ATOM 165 OE1 GLN A 34 -97.956 2.249 -24.239 1.00 0.00 O ATOM 166 NE2 GLN A 34 -95.812 2.370 -24.870 1.00 0.00 N ATOM 0 H GLN A 34 -97.389 -1.922 -26.584 1.00 0.00 H new ATOM 0 HA GLN A 34 -96.957 0.007 -28.768 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -95.815 -0.220 -25.954 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -95.387 1.031 -27.103 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -97.655 1.903 -27.104 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -98.226 0.556 -26.139 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -95.103 2.133 -25.564 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -95.555 2.903 -24.039 1.00 0.00 H new ATOM 175 N ALA A 35 -94.999 -1.088 -29.728 1.00 0.00 N ATOM 176 CA ALA A 35 -93.810 -1.657 -30.340 1.00 0.00 C ATOM 177 C ALA A 35 -93.187 -0.652 -31.294 1.00 0.00 C ATOM 178 O ALA A 35 -93.893 0.183 -31.859 1.00 0.00 O ATOM 179 CB ALA A 35 -94.151 -2.944 -31.077 1.00 0.00 C ATOM 0 H ALA A 35 -95.578 -0.543 -30.366 1.00 0.00 H new ATOM 0 HA ALA A 35 -93.092 -1.893 -29.555 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -93.248 -3.355 -31.528 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -94.567 -3.666 -30.374 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -94.883 -2.734 -31.857 1.00 0.00 H new ATOM 185 N ARG A 36 -91.872 -0.725 -31.456 1.00 0.00 N ATOM 186 CA ARG A 36 -91.154 0.181 -32.346 1.00 0.00 C ATOM 187 C ARG A 36 -89.719 -0.290 -32.530 1.00 0.00 C ATOM 188 O ARG A 36 -89.325 -1.322 -31.994 1.00 0.00 O ATOM 189 CB ARG A 36 -91.143 1.607 -31.782 1.00 0.00 C ATOM 190 CG ARG A 36 -90.461 1.709 -30.423 1.00 0.00 C ATOM 191 CD ARG A 36 -90.251 3.154 -29.998 1.00 0.00 C ATOM 192 NE ARG A 36 -91.494 3.924 -29.988 1.00 0.00 N ATOM 193 CZ ARG A 36 -91.693 5.000 -29.222 1.00 0.00 C ATOM 194 NH1 ARG A 36 -90.778 5.365 -28.329 1.00 0.00 N ATOM 195 NH2 ARG A 36 -92.818 5.693 -29.330 1.00 0.00 N ATOM 0 H ARG A 36 -91.278 -1.405 -30.981 1.00 0.00 H new ATOM 0 HA ARG A 36 -91.668 0.182 -33.307 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -90.635 2.266 -32.487 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -92.169 1.964 -31.694 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -91.065 1.195 -29.675 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -89.499 1.199 -30.461 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -89.807 3.175 -29.003 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -89.540 3.628 -30.674 1.00 0.00 H new ATOM 0 HE ARG A 36 -92.252 3.622 -30.600 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -89.920 4.823 -28.227 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -90.934 6.187 -27.746 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -93.532 5.405 -29.998 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -92.969 6.515 -28.745 1.00 0.00 H new ATOM 209 N LEU A 37 -88.944 0.470 -33.282 1.00 0.00 N ATOM 210 CA LEU A 37 -87.562 0.113 -33.558 1.00 0.00 C ATOM 211 C LEU A 37 -86.612 0.950 -32.719 1.00 0.00 C ATOM 212 O LEU A 37 -86.839 2.145 -32.511 1.00 0.00 O ATOM 213 CB LEU A 37 -87.271 0.313 -35.039 1.00 0.00 C ATOM 214 CG LEU A 37 -88.307 -0.319 -35.958 1.00 0.00 C ATOM 215 CD1 LEU A 37 -88.032 0.062 -37.393 1.00 0.00 C ATOM 216 CD2 LEU A 37 -88.305 -1.830 -35.790 1.00 0.00 C ATOM 0 H LEU A 37 -89.249 1.342 -33.715 1.00 0.00 H new ATOM 0 HA LEU A 37 -87.411 -0.935 -33.298 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -87.216 1.381 -35.248 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -86.291 -0.107 -35.268 1.00 0.00 H new ATOM 0 HG LEU A 37 -89.295 0.054 -35.688 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -88.780 -0.396 -38.041 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -88.077 1.146 -37.497 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -87.040 -0.289 -37.679 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -89.050 -2.271 -36.452 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -87.319 -2.223 -36.040 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -88.544 -2.082 -34.757 1.00 0.00 H new ATOM 228 N THR A 38 -85.558 0.315 -32.232 1.00 0.00 N ATOM 229 CA THR A 38 -84.563 0.982 -31.411 1.00 0.00 C ATOM 230 C THR A 38 -83.176 0.479 -31.776 1.00 0.00 C ATOM 231 O THR A 38 -83.023 -0.306 -32.718 1.00 0.00 O ATOM 232 CB THR A 38 -84.799 0.742 -29.904 1.00 0.00 C ATOM 233 OG1 THR A 38 -84.831 -0.665 -29.635 1.00 0.00 O ATOM 234 CG2 THR A 38 -86.095 1.388 -29.431 1.00 0.00 C ATOM 0 H THR A 38 -85.369 -0.674 -32.395 1.00 0.00 H new ATOM 0 HA THR A 38 -84.647 2.051 -31.604 1.00 0.00 H new ATOM 0 HB THR A 38 -83.976 1.202 -29.358 1.00 0.00 H new ATOM 0 HG1 THR A 38 -84.942 -0.812 -28.672 1.00 0.00 H new ATOM 0 HG21 THR A 38 -86.228 1.199 -28.366 1.00 0.00 H new ATOM 0 HG22 THR A 38 -86.051 2.463 -29.606 1.00 0.00 H new ATOM 0 HG23 THR A 38 -86.935 0.965 -29.983 1.00 0.00 H new ATOM 242 N ARG A 39 -82.167 0.944 -31.035 1.00 0.00 N ATOM 243 CA ARG A 39 -80.778 0.525 -31.239 1.00 0.00 C ATOM 244 C ARG A 39 -80.330 0.937 -32.639 1.00 0.00 C ATOM 245 O ARG A 39 -79.381 0.392 -33.208 1.00 0.00 O ATOM 246 CB ARG A 39 -80.626 -0.993 -31.035 1.00 0.00 C ATOM 247 CG ARG A 39 -81.363 -1.522 -29.809 1.00 0.00 C ATOM 248 CD ARG A 39 -81.005 -0.740 -28.558 1.00 0.00 C ATOM 249 NE ARG A 39 -82.188 -0.422 -27.759 1.00 0.00 N ATOM 250 CZ ARG A 39 -82.261 0.593 -26.896 1.00 0.00 C ATOM 251 NH1 ARG A 39 -81.202 1.369 -26.680 1.00 0.00 N ATOM 252 NH2 ARG A 39 -83.392 0.818 -26.239 1.00 0.00 N ATOM 0 H ARG A 39 -82.289 1.619 -30.280 1.00 0.00 H new ATOM 0 HA ARG A 39 -80.143 1.017 -30.502 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -80.996 -1.509 -31.921 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -79.567 -1.235 -30.944 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -82.438 -1.465 -29.978 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -81.118 -2.574 -29.663 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -80.304 -1.319 -27.956 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -80.497 0.183 -28.839 1.00 0.00 H new ATOM 0 HE ARG A 39 -83.011 -1.015 -27.869 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -80.329 1.189 -27.175 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -81.264 2.144 -26.019 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -84.201 0.216 -26.395 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -83.453 1.593 -25.578 1.00 0.00 H new ATOM 266 N SER A 40 -81.033 1.928 -33.155 1.00 0.00 N ATOM 267 CA SER A 40 -80.820 2.460 -34.481 1.00 0.00 C ATOM 268 C SER A 40 -81.267 3.913 -34.472 1.00 0.00 C ATOM 269 O SER A 40 -81.865 4.370 -33.496 1.00 0.00 O ATOM 270 CB SER A 40 -81.623 1.650 -35.510 1.00 0.00 C ATOM 271 OG SER A 40 -81.488 2.180 -36.820 1.00 0.00 O ATOM 0 H SER A 40 -81.786 2.394 -32.648 1.00 0.00 H new ATOM 0 HA SER A 40 -79.768 2.394 -34.758 1.00 0.00 H new ATOM 0 HB2 SER A 40 -81.285 0.614 -35.501 1.00 0.00 H new ATOM 0 HB3 SER A 40 -82.676 1.645 -35.227 1.00 0.00 H new ATOM 0 HG SER A 40 -82.315 2.026 -37.322 1.00 0.00 H new ATOM 277 N ASN A 41 -80.984 4.641 -35.533 1.00 0.00 N ATOM 278 CA ASN A 41 -81.345 6.048 -35.579 1.00 0.00 C ATOM 279 C ASN A 41 -82.670 6.241 -36.299 1.00 0.00 C ATOM 280 O ASN A 41 -83.263 7.317 -36.253 1.00 0.00 O ATOM 281 CB ASN A 41 -80.234 6.868 -36.238 1.00 0.00 C ATOM 282 CG ASN A 41 -78.961 6.896 -35.408 1.00 0.00 C ATOM 283 OD1 ASN A 41 -77.860 6.993 -35.945 1.00 0.00 O ATOM 284 ND2 ASN A 41 -79.102 6.813 -34.092 1.00 0.00 N ATOM 0 H ASN A 41 -80.511 4.290 -36.366 1.00 0.00 H new ATOM 0 HA ASN A 41 -81.466 6.406 -34.556 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -80.014 6.452 -37.221 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -80.584 7.888 -36.395 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -78.279 6.829 -33.489 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -80.033 6.734 -33.683 1.00 0.00 H new ATOM 291 N SER A 42 -83.147 5.189 -36.941 1.00 0.00 N ATOM 292 CA SER A 42 -84.402 5.252 -37.665 1.00 0.00 C ATOM 293 C SER A 42 -85.509 4.551 -36.899 1.00 0.00 C ATOM 294 O SER A 42 -85.418 3.368 -36.590 1.00 0.00 O ATOM 295 CB SER A 42 -84.252 4.632 -39.053 1.00 0.00 C ATOM 296 OG SER A 42 -85.476 4.692 -39.768 1.00 0.00 O ATOM 0 H SER A 42 -82.683 4.281 -36.975 1.00 0.00 H new ATOM 0 HA SER A 42 -84.672 6.302 -37.775 1.00 0.00 H new ATOM 0 HB2 SER A 42 -83.475 5.157 -39.609 1.00 0.00 H new ATOM 0 HB3 SER A 42 -83.931 3.595 -38.960 1.00 0.00 H new ATOM 0 HG SER A 42 -85.297 4.918 -40.705 1.00 0.00 H new ATOM 302 N LYS A 43 -86.564 5.293 -36.603 1.00 0.00 N ATOM 303 CA LYS A 43 -87.744 4.723 -35.975 1.00 0.00 C ATOM 304 C LYS A 43 -88.516 3.885 -36.990 1.00 0.00 C ATOM 305 O LYS A 43 -89.468 3.190 -36.644 1.00 0.00 O ATOM 306 CB LYS A 43 -88.643 5.828 -35.408 1.00 0.00 C ATOM 307 CG LYS A 43 -89.056 6.866 -36.438 1.00 0.00 C ATOM 308 CD LYS A 43 -90.050 7.859 -35.861 1.00 0.00 C ATOM 309 CE LYS A 43 -90.404 8.938 -36.869 1.00 0.00 C ATOM 310 NZ LYS A 43 -90.939 8.369 -38.136 1.00 0.00 N ATOM 0 H LYS A 43 -86.627 6.294 -36.788 1.00 0.00 H new ATOM 0 HA LYS A 43 -87.426 4.084 -35.151 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -89.538 5.374 -34.983 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -88.120 6.327 -34.592 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -88.174 7.398 -36.794 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -89.497 6.368 -37.301 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -90.955 7.334 -35.555 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -89.630 8.319 -34.966 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -91.143 9.611 -36.434 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -89.518 9.535 -37.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -91.261 9.141 -38.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -90.191 7.829 -38.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -91.739 7.739 -37.923 1.00 0.00 H new ATOM 324 N CYS A 44 -88.097 3.965 -38.251 1.00 0.00 N ATOM 325 CA CYS A 44 -88.740 3.216 -39.313 1.00 0.00 C ATOM 326 C CYS A 44 -87.805 2.130 -39.848 1.00 0.00 C ATOM 327 O CYS A 44 -88.182 1.365 -40.729 1.00 0.00 O ATOM 328 CB CYS A 44 -89.181 4.159 -40.441 1.00 0.00 C ATOM 329 SG CYS A 44 -89.978 5.681 -39.846 1.00 0.00 S ATOM 0 H CYS A 44 -87.314 4.543 -38.556 1.00 0.00 H new ATOM 0 HA CYS A 44 -89.627 2.730 -38.906 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -88.311 4.425 -41.042 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -89.872 3.629 -41.097 1.00 0.00 H new ATOM 334 N GLN A 45 -86.577 2.062 -39.315 1.00 0.00 N ATOM 335 CA GLN A 45 -85.658 0.958 -39.624 1.00 0.00 C ATOM 336 C GLN A 45 -84.765 0.690 -38.409 1.00 0.00 C ATOM 337 O GLN A 45 -84.025 1.572 -37.976 1.00 0.00 O ATOM 338 CB GLN A 45 -84.777 1.290 -40.843 1.00 0.00 C ATOM 339 CG GLN A 45 -85.514 1.993 -41.975 1.00 0.00 C ATOM 340 CD GLN A 45 -84.678 2.173 -43.225 1.00 0.00 C ATOM 341 OE1 GLN A 45 -83.457 2.326 -43.169 1.00 0.00 O ATOM 342 NE2 GLN A 45 -85.343 2.164 -44.368 1.00 0.00 N ATOM 0 H GLN A 45 -86.198 2.756 -38.670 1.00 0.00 H new ATOM 0 HA GLN A 45 -86.249 0.074 -39.861 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -83.949 1.920 -40.518 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -84.343 0.366 -41.226 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -86.408 1.421 -42.225 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -85.848 2.971 -41.628 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -86.355 2.034 -44.368 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -84.844 2.287 -45.249 1.00 0.00 H new ATOM 351 N GLY A 46 -84.787 -0.536 -37.887 1.00 0.00 N ATOM 352 CA GLY A 46 -84.066 -0.812 -36.657 1.00 0.00 C ATOM 353 C GLY A 46 -84.435 -2.146 -36.044 1.00 0.00 C ATOM 354 O GLY A 46 -85.265 -2.877 -36.582 1.00 0.00 O ATOM 0 H GLY A 46 -85.284 -1.331 -38.288 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -82.995 -0.794 -36.858 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -84.269 -0.019 -35.937 1.00 0.00 H new ATOM 358 N GLN A 47 -83.798 -2.477 -34.933 1.00 0.00 N ATOM 359 CA GLN A 47 -84.123 -3.692 -34.207 1.00 0.00 C ATOM 360 C GLN A 47 -85.414 -3.474 -33.424 1.00 0.00 C ATOM 361 O GLN A 47 -85.650 -2.383 -32.908 1.00 0.00 O ATOM 362 CB GLN A 47 -82.983 -4.097 -33.258 1.00 0.00 C ATOM 363 CG GLN A 47 -81.676 -4.483 -33.953 1.00 0.00 C ATOM 364 CD GLN A 47 -80.941 -3.294 -34.552 1.00 0.00 C ATOM 365 OE1 GLN A 47 -81.135 -2.944 -35.712 1.00 0.00 O ATOM 366 NE2 GLN A 47 -80.089 -2.662 -33.760 1.00 0.00 N ATOM 0 H GLN A 47 -83.053 -1.921 -34.515 1.00 0.00 H new ATOM 0 HA GLN A 47 -84.258 -4.504 -34.922 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -82.785 -3.270 -32.577 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -83.317 -4.938 -32.650 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -81.024 -4.981 -33.235 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -81.891 -5.204 -34.742 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -79.952 -2.980 -32.801 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -79.569 -1.857 -34.109 1.00 0.00 H new ATOM 375 N LEU A 48 -86.246 -4.501 -33.340 1.00 0.00 N ATOM 376 CA LEU A 48 -87.574 -4.355 -32.755 1.00 0.00 C ATOM 377 C LEU A 48 -87.538 -4.404 -31.231 1.00 0.00 C ATOM 378 O LEU A 48 -87.073 -5.376 -30.638 1.00 0.00 O ATOM 379 CB LEU A 48 -88.516 -5.435 -33.289 1.00 0.00 C ATOM 380 CG LEU A 48 -89.949 -5.368 -32.752 1.00 0.00 C ATOM 381 CD1 LEU A 48 -90.622 -4.072 -33.172 1.00 0.00 C ATOM 382 CD2 LEU A 48 -90.755 -6.563 -33.225 1.00 0.00 C ATOM 0 H LEU A 48 -86.028 -5.442 -33.668 1.00 0.00 H new ATOM 0 HA LEU A 48 -87.947 -3.373 -33.047 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -88.548 -5.363 -34.376 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -88.099 -6.412 -33.046 1.00 0.00 H new ATOM 0 HG LEU A 48 -89.904 -5.393 -31.663 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -91.639 -4.046 -32.780 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -90.059 -3.226 -32.778 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -90.652 -4.013 -34.260 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -91.770 -6.496 -32.832 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -90.787 -6.572 -34.314 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -90.288 -7.481 -32.868 1.00 0.00 H new ATOM 394 N GLU A 49 -88.045 -3.347 -30.616 1.00 0.00 N ATOM 395 CA GLU A 49 -88.199 -3.277 -29.174 1.00 0.00 C ATOM 396 C GLU A 49 -89.683 -3.146 -28.850 1.00 0.00 C ATOM 397 O GLU A 49 -90.336 -2.192 -29.277 1.00 0.00 O ATOM 398 CB GLU A 49 -87.421 -2.082 -28.622 1.00 0.00 C ATOM 399 CG GLU A 49 -87.250 -2.093 -27.112 1.00 0.00 C ATOM 400 CD GLU A 49 -86.307 -1.009 -26.631 1.00 0.00 C ATOM 401 OE1 GLU A 49 -85.133 -1.007 -27.061 1.00 0.00 O ATOM 402 OE2 GLU A 49 -86.733 -0.147 -25.834 1.00 0.00 O ATOM 0 H GLU A 49 -88.362 -2.511 -31.106 1.00 0.00 H new ATOM 0 HA GLU A 49 -87.803 -4.181 -28.711 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -86.436 -2.058 -29.088 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -87.933 -1.164 -28.912 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -88.223 -1.962 -26.638 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -86.871 -3.066 -26.799 1.00 0.00 H new ATOM 409 N VAL A 50 -90.224 -4.118 -28.130 1.00 0.00 N ATOM 410 CA VAL A 50 -91.656 -4.159 -27.868 1.00 0.00 C ATOM 411 C VAL A 50 -91.942 -4.145 -26.374 1.00 0.00 C ATOM 412 O VAL A 50 -91.341 -4.902 -25.615 1.00 0.00 O ATOM 413 CB VAL A 50 -92.308 -5.417 -28.478 1.00 0.00 C ATOM 414 CG1 VAL A 50 -93.819 -5.320 -28.412 1.00 0.00 C ATOM 415 CG2 VAL A 50 -91.847 -5.639 -29.910 1.00 0.00 C ATOM 0 H VAL A 50 -89.695 -4.887 -27.718 1.00 0.00 H new ATOM 0 HA VAL A 50 -92.082 -3.270 -28.333 1.00 0.00 H new ATOM 0 HB VAL A 50 -91.990 -6.277 -27.889 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -94.261 -6.217 -28.847 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -94.133 -5.229 -27.372 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -94.152 -4.444 -28.969 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -92.324 -6.533 -30.311 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -92.121 -4.777 -30.518 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -90.765 -5.766 -29.928 1.00 0.00 H new ATOM 425 N TYR A 51 -92.870 -3.291 -25.961 1.00 0.00 N ATOM 426 CA TYR A 51 -93.271 -3.210 -24.567 1.00 0.00 C ATOM 427 C TYR A 51 -94.242 -4.334 -24.231 1.00 0.00 C ATOM 428 O TYR A 51 -95.441 -4.231 -24.487 1.00 0.00 O ATOM 429 CB TYR A 51 -93.914 -1.853 -24.266 1.00 0.00 C ATOM 430 CG TYR A 51 -94.343 -1.686 -22.824 1.00 0.00 C ATOM 431 CD1 TYR A 51 -93.412 -1.727 -21.794 1.00 0.00 C ATOM 432 CD2 TYR A 51 -95.678 -1.495 -22.492 1.00 0.00 C ATOM 433 CE1 TYR A 51 -93.799 -1.581 -20.477 1.00 0.00 C ATOM 434 CE2 TYR A 51 -96.072 -1.349 -21.175 1.00 0.00 C ATOM 435 CZ TYR A 51 -95.129 -1.392 -20.174 1.00 0.00 C ATOM 436 OH TYR A 51 -95.519 -1.245 -18.862 1.00 0.00 O ATOM 0 H TYR A 51 -93.360 -2.642 -26.577 1.00 0.00 H new ATOM 0 HA TYR A 51 -92.380 -3.315 -23.948 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -93.207 -1.063 -24.519 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -94.783 -1.722 -24.911 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -92.368 -1.876 -22.027 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -96.420 -1.460 -23.276 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -93.062 -1.615 -19.688 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -97.114 -1.202 -20.933 1.00 0.00 H new ATOM 0 HH TYR A 51 -96.490 -1.119 -18.822 1.00 0.00 H new ATOM 446 N LEU A 52 -93.717 -5.410 -23.674 1.00 0.00 N ATOM 447 CA LEU A 52 -94.542 -6.547 -23.316 1.00 0.00 C ATOM 448 C LEU A 52 -94.592 -6.729 -21.818 1.00 0.00 C ATOM 449 O LEU A 52 -93.557 -6.918 -21.185 1.00 0.00 O ATOM 450 CB LEU A 52 -94.042 -7.812 -24.008 1.00 0.00 C ATOM 451 CG LEU A 52 -92.584 -8.210 -23.749 1.00 0.00 C ATOM 452 CD1 LEU A 52 -92.499 -9.314 -22.701 1.00 0.00 C ATOM 453 CD2 LEU A 52 -91.922 -8.655 -25.044 1.00 0.00 C ATOM 0 H LEU A 52 -92.726 -5.520 -23.461 1.00 0.00 H new ATOM 0 HA LEU A 52 -95.558 -6.353 -23.659 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -94.680 -8.641 -23.703 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -94.174 -7.687 -25.083 1.00 0.00 H new ATOM 0 HG LEU A 52 -92.054 -7.338 -23.366 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -91.455 -9.579 -22.535 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -92.937 -8.963 -21.767 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -93.044 -10.191 -23.051 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -90.887 -8.935 -24.846 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -92.458 -9.512 -25.451 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -91.945 -7.837 -25.764 1.00 0.00 H new ATOM 465 N LYS A 53 -95.813 -6.622 -21.277 1.00 0.00 N ATOM 466 CA LYS A 53 -96.135 -6.765 -19.839 1.00 0.00 C ATOM 467 C LYS A 53 -95.378 -5.784 -18.928 1.00 0.00 C ATOM 468 O LYS A 53 -95.906 -5.381 -17.892 1.00 0.00 O ATOM 469 CB LYS A 53 -95.995 -8.223 -19.335 1.00 0.00 C ATOM 470 CG LYS A 53 -94.590 -8.810 -19.377 1.00 0.00 C ATOM 471 CD LYS A 53 -94.557 -10.231 -18.835 1.00 0.00 C ATOM 472 CE LYS A 53 -94.801 -10.268 -17.334 1.00 0.00 C ATOM 473 NZ LYS A 53 -93.706 -9.602 -16.577 1.00 0.00 N ATOM 0 H LYS A 53 -96.638 -6.426 -21.844 1.00 0.00 H new ATOM 0 HA LYS A 53 -97.188 -6.493 -19.769 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -96.356 -8.268 -18.307 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -96.651 -8.857 -19.931 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -94.224 -8.804 -20.404 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -93.916 -8.182 -18.794 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -95.313 -10.831 -19.341 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -93.590 -10.683 -19.058 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -95.748 -9.779 -17.108 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -94.891 -11.304 -17.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -93.866 -9.722 -15.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -92.794 -10.030 -16.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -93.691 -8.588 -16.808 1.00 0.00 H new ATOM 487 N ASP A 54 -94.181 -5.376 -19.331 1.00 0.00 N ATOM 488 CA ASP A 54 -93.339 -4.490 -18.518 1.00 0.00 C ATOM 489 C ASP A 54 -92.002 -4.240 -19.204 1.00 0.00 C ATOM 490 O ASP A 54 -91.380 -3.194 -19.018 1.00 0.00 O ATOM 491 CB ASP A 54 -93.080 -5.084 -17.120 1.00 0.00 C ATOM 492 CG ASP A 54 -92.113 -6.255 -17.135 1.00 0.00 C ATOM 493 OD1 ASP A 54 -92.541 -7.386 -17.451 1.00 0.00 O ATOM 494 OD2 ASP A 54 -90.917 -6.052 -16.833 1.00 0.00 O ATOM 0 H ASP A 54 -93.764 -5.644 -20.222 1.00 0.00 H new ATOM 0 HA ASP A 54 -93.878 -3.549 -18.407 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -92.685 -4.304 -16.469 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -94.027 -5.409 -16.690 1.00 0.00 H new ATOM 499 N GLY A 55 -91.572 -5.202 -20.000 1.00 0.00 N ATOM 500 CA GLY A 55 -90.278 -5.117 -20.640 1.00 0.00 C ATOM 501 C GLY A 55 -90.356 -4.622 -22.054 1.00 0.00 C ATOM 502 O GLY A 55 -91.000 -5.248 -22.894 1.00 0.00 O ATOM 0 H GLY A 55 -92.100 -6.047 -20.216 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -89.636 -4.452 -20.063 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -89.808 -6.101 -20.630 1.00 0.00 H new ATOM 506 N TRP A 56 -89.729 -3.481 -22.315 1.00 0.00 N ATOM 507 CA TRP A 56 -89.439 -3.080 -23.682 1.00 0.00 C ATOM 508 C TRP A 56 -88.373 -4.013 -24.228 1.00 0.00 C ATOM 509 O TRP A 56 -87.195 -3.672 -24.304 1.00 0.00 O ATOM 510 CB TRP A 56 -88.963 -1.627 -23.760 1.00 0.00 C ATOM 511 CG TRP A 56 -90.075 -0.626 -23.811 1.00 0.00 C ATOM 512 CD1 TRP A 56 -90.640 0.034 -22.759 1.00 0.00 C ATOM 513 CD2 TRP A 56 -90.756 -0.169 -24.985 1.00 0.00 C ATOM 514 NE1 TRP A 56 -91.631 0.874 -23.208 1.00 0.00 N ATOM 515 CE2 TRP A 56 -91.722 0.767 -24.571 1.00 0.00 C ATOM 516 CE3 TRP A 56 -90.641 -0.459 -26.345 1.00 0.00 C ATOM 517 CZ2 TRP A 56 -92.568 1.411 -25.469 1.00 0.00 C ATOM 518 CZ3 TRP A 56 -91.481 0.180 -27.237 1.00 0.00 C ATOM 519 CH2 TRP A 56 -92.434 1.105 -26.796 1.00 0.00 C ATOM 0 H TRP A 56 -89.414 -2.823 -21.602 1.00 0.00 H new ATOM 0 HA TRP A 56 -90.351 -3.146 -24.276 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -88.335 -1.414 -22.895 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -88.338 -1.507 -24.645 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -90.351 -0.086 -21.725 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -92.206 1.479 -22.621 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -89.908 -1.171 -26.695 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -93.303 2.126 -25.131 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -91.401 -0.038 -28.292 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -93.077 1.587 -27.518 1.00 0.00 H new ATOM 530 N HIS A 57 -88.795 -5.217 -24.553 1.00 0.00 N ATOM 531 CA HIS A 57 -87.877 -6.271 -24.898 1.00 0.00 C ATOM 532 C HIS A 57 -87.414 -6.157 -26.340 1.00 0.00 C ATOM 533 O HIS A 57 -88.229 -6.131 -27.262 1.00 0.00 O ATOM 534 CB HIS A 57 -88.511 -7.640 -24.636 1.00 0.00 C ATOM 535 CG HIS A 57 -88.209 -8.155 -23.262 1.00 0.00 C ATOM 536 ND1 HIS A 57 -89.170 -8.615 -22.388 1.00 0.00 N ATOM 537 CD2 HIS A 57 -87.024 -8.285 -22.616 1.00 0.00 C ATOM 538 CE1 HIS A 57 -88.590 -9.003 -21.264 1.00 0.00 C ATOM 539 NE2 HIS A 57 -87.289 -8.813 -21.381 1.00 0.00 N ATOM 0 H HIS A 57 -89.778 -5.487 -24.584 1.00 0.00 H new ATOM 0 HA HIS A 57 -86.997 -6.169 -24.263 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -89.591 -7.568 -24.765 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -88.148 -8.353 -25.376 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -86.051 -8.021 -23.004 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -89.095 -9.406 -20.399 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -86.593 -9.025 -20.666 1.00 0.00 H new ATOM 548 N MET A 58 -86.104 -6.071 -26.522 1.00 0.00 N ATOM 549 CA MET A 58 -85.519 -6.047 -27.852 1.00 0.00 C ATOM 550 C MET A 58 -85.499 -7.464 -28.400 1.00 0.00 C ATOM 551 O MET A 58 -84.724 -8.296 -27.936 1.00 0.00 O ATOM 552 CB MET A 58 -84.087 -5.511 -27.809 1.00 0.00 C ATOM 553 CG MET A 58 -83.895 -4.291 -26.926 1.00 0.00 C ATOM 554 SD MET A 58 -82.151 -3.896 -26.700 1.00 0.00 S ATOM 555 CE MET A 58 -82.250 -2.651 -25.418 1.00 0.00 C ATOM 0 H MET A 58 -85.426 -6.017 -25.762 1.00 0.00 H new ATOM 0 HA MET A 58 -86.116 -5.393 -28.488 1.00 0.00 H new ATOM 0 HB2 MET A 58 -83.427 -6.304 -27.459 1.00 0.00 H new ATOM 0 HB3 MET A 58 -83.776 -5.262 -28.823 1.00 0.00 H new ATOM 0 HG2 MET A 58 -84.407 -3.437 -27.370 1.00 0.00 H new ATOM 0 HG3 MET A 58 -84.356 -4.469 -25.955 1.00 0.00 H new ATOM 0 HE1 MET A 58 -81.626 -1.800 -25.689 1.00 0.00 H new ATOM 0 HE2 MET A 58 -83.284 -2.323 -25.309 1.00 0.00 H new ATOM 0 HE3 MET A 58 -81.901 -3.071 -24.475 1.00 0.00 H new ATOM 565 N VAL A 59 -86.349 -7.745 -29.361 1.00 0.00 N ATOM 566 CA VAL A 59 -86.459 -9.095 -29.886 1.00 0.00 C ATOM 567 C VAL A 59 -85.535 -9.273 -31.083 1.00 0.00 C ATOM 568 O VAL A 59 -85.127 -8.296 -31.713 1.00 0.00 O ATOM 569 CB VAL A 59 -87.908 -9.426 -30.296 1.00 0.00 C ATOM 570 CG1 VAL A 59 -88.853 -9.231 -29.120 1.00 0.00 C ATOM 571 CG2 VAL A 59 -88.342 -8.576 -31.478 1.00 0.00 C ATOM 0 H VAL A 59 -86.972 -7.065 -29.796 1.00 0.00 H new ATOM 0 HA VAL A 59 -86.164 -9.782 -29.093 1.00 0.00 H new ATOM 0 HB VAL A 59 -87.946 -10.472 -30.599 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -89.871 -9.469 -29.428 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -88.558 -9.889 -28.303 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -88.808 -8.195 -28.785 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -89.367 -8.827 -31.750 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -88.286 -7.521 -31.208 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -87.685 -8.769 -32.326 1.00 0.00 H new ATOM 581 N CYS A 60 -85.208 -10.516 -31.406 1.00 0.00 N ATOM 582 CA CYS A 60 -84.341 -10.787 -32.540 1.00 0.00 C ATOM 583 C CYS A 60 -85.164 -11.029 -33.803 1.00 0.00 C ATOM 584 O CYS A 60 -84.707 -11.697 -34.732 1.00 0.00 O ATOM 585 CB CYS A 60 -83.405 -11.970 -32.245 1.00 0.00 C ATOM 586 SG CYS A 60 -84.207 -13.545 -31.855 1.00 0.00 S ATOM 0 H CYS A 60 -85.527 -11.344 -30.904 1.00 0.00 H new ATOM 0 HA CYS A 60 -83.718 -9.909 -32.712 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -82.759 -12.119 -33.110 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -82.761 -11.697 -31.409 1.00 0.00 H new ATOM 591 N SER A 61 -86.375 -10.446 -33.822 1.00 0.00 N ATOM 592 CA SER A 61 -87.298 -10.518 -34.963 1.00 0.00 C ATOM 593 C SER A 61 -87.817 -11.942 -35.169 1.00 0.00 C ATOM 594 O SER A 61 -88.999 -12.215 -34.958 1.00 0.00 O ATOM 595 CB SER A 61 -86.628 -9.995 -36.240 1.00 0.00 C ATOM 596 OG SER A 61 -87.530 -9.972 -37.334 1.00 0.00 O ATOM 0 H SER A 61 -86.742 -9.907 -33.038 1.00 0.00 H new ATOM 0 HA SER A 61 -88.153 -9.880 -34.738 1.00 0.00 H new ATOM 0 HB2 SER A 61 -86.244 -8.990 -36.064 1.00 0.00 H new ATOM 0 HB3 SER A 61 -85.773 -10.625 -36.486 1.00 0.00 H new ATOM 0 HG SER A 61 -87.215 -9.330 -38.004 1.00 0.00 H new ATOM 602 N GLN A 62 -86.919 -12.856 -35.530 1.00 0.00 N ATOM 603 CA GLN A 62 -87.291 -14.235 -35.827 1.00 0.00 C ATOM 604 C GLN A 62 -87.406 -15.066 -34.549 1.00 0.00 C ATOM 605 O GLN A 62 -87.094 -16.257 -34.530 1.00 0.00 O ATOM 606 CB GLN A 62 -86.286 -14.857 -36.811 1.00 0.00 C ATOM 607 CG GLN A 62 -84.845 -14.925 -36.310 1.00 0.00 C ATOM 608 CD GLN A 62 -83.847 -15.211 -37.426 1.00 0.00 C ATOM 609 OE1 GLN A 62 -82.699 -14.768 -37.379 1.00 0.00 O ATOM 610 NE2 GLN A 62 -84.271 -15.951 -38.435 1.00 0.00 N ATOM 0 H GLN A 62 -85.922 -12.663 -35.624 1.00 0.00 H new ATOM 0 HA GLN A 62 -88.274 -14.232 -36.298 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -86.617 -15.866 -37.055 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -86.305 -14.283 -37.737 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -84.587 -13.981 -35.830 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -84.765 -15.702 -35.549 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -85.229 -16.302 -38.443 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -83.641 -16.171 -39.206 1.00 0.00 H new ATOM 619 N SER A 63 -87.875 -14.422 -33.487 1.00 0.00 N ATOM 620 CA SER A 63 -88.181 -15.104 -32.242 1.00 0.00 C ATOM 621 C SER A 63 -89.546 -15.792 -32.368 1.00 0.00 C ATOM 622 O SER A 63 -90.174 -15.716 -33.428 1.00 0.00 O ATOM 623 CB SER A 63 -88.205 -14.101 -31.090 1.00 0.00 C ATOM 624 OG SER A 63 -86.998 -13.367 -31.018 1.00 0.00 O ATOM 0 H SER A 63 -88.052 -13.418 -33.467 1.00 0.00 H new ATOM 0 HA SER A 63 -87.414 -15.851 -32.038 1.00 0.00 H new ATOM 0 HB2 SER A 63 -89.042 -13.415 -31.220 1.00 0.00 H new ATOM 0 HB3 SER A 63 -88.368 -14.628 -30.150 1.00 0.00 H new ATOM 0 HG SER A 63 -86.263 -13.910 -31.372 1.00 0.00 H new ATOM 630 N TRP A 64 -90.003 -16.440 -31.291 1.00 0.00 N ATOM 631 CA TRP A 64 -91.298 -17.117 -31.264 1.00 0.00 C ATOM 632 C TRP A 64 -91.274 -18.374 -32.129 1.00 0.00 C ATOM 633 O TRP A 64 -91.127 -19.478 -31.610 1.00 0.00 O ATOM 634 CB TRP A 64 -92.438 -16.168 -31.666 1.00 0.00 C ATOM 635 CG TRP A 64 -92.819 -15.222 -30.560 1.00 0.00 C ATOM 636 CD1 TRP A 64 -93.751 -15.445 -29.589 1.00 0.00 C ATOM 637 CD2 TRP A 64 -92.268 -13.922 -30.292 1.00 0.00 C ATOM 638 NE1 TRP A 64 -93.816 -14.371 -28.739 1.00 0.00 N ATOM 639 CE2 TRP A 64 -92.917 -13.423 -29.146 1.00 0.00 C ATOM 640 CE3 TRP A 64 -91.293 -13.130 -30.907 1.00 0.00 C ATOM 641 CZ2 TRP A 64 -92.616 -12.175 -28.600 1.00 0.00 C ATOM 642 CZ3 TRP A 64 -90.993 -11.893 -30.361 1.00 0.00 C ATOM 643 CH2 TRP A 64 -91.653 -11.425 -29.218 1.00 0.00 C ATOM 0 H TRP A 64 -89.484 -16.508 -30.416 1.00 0.00 H new ATOM 0 HA TRP A 64 -91.492 -17.429 -30.238 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -92.136 -15.594 -32.542 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -93.310 -16.755 -31.954 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -94.351 -16.339 -29.502 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -94.435 -14.291 -27.932 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -90.782 -13.477 -31.793 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -93.126 -11.813 -27.719 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -90.236 -11.278 -30.825 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -91.397 -10.455 -28.817 1.00 0.00 H new ATOM 654 N GLY A 65 -91.375 -18.212 -33.438 1.00 0.00 N ATOM 655 CA GLY A 65 -91.322 -19.357 -34.317 1.00 0.00 C ATOM 656 C GLY A 65 -91.619 -19.009 -35.759 1.00 0.00 C ATOM 657 O GLY A 65 -92.244 -19.793 -36.470 1.00 0.00 O ATOM 0 H GLY A 65 -91.492 -17.313 -33.905 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -90.333 -19.811 -34.255 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -92.038 -20.105 -33.975 1.00 0.00 H new ATOM 661 N ARG A 66 -91.184 -17.834 -36.197 1.00 0.00 N ATOM 662 CA ARG A 66 -91.402 -17.415 -37.577 1.00 0.00 C ATOM 663 C ARG A 66 -90.227 -16.607 -38.105 1.00 0.00 C ATOM 664 O ARG A 66 -89.949 -15.510 -37.626 1.00 0.00 O ATOM 665 CB ARG A 66 -92.690 -16.592 -37.717 1.00 0.00 C ATOM 666 CG ARG A 66 -93.966 -17.422 -37.714 1.00 0.00 C ATOM 667 CD ARG A 66 -93.965 -18.453 -38.834 1.00 0.00 C ATOM 668 NE ARG A 66 -93.835 -17.846 -40.164 1.00 0.00 N ATOM 669 CZ ARG A 66 -93.191 -18.418 -41.187 1.00 0.00 C ATOM 670 NH1 ARG A 66 -92.581 -19.586 -41.031 1.00 0.00 N ATOM 671 NH2 ARG A 66 -93.158 -17.824 -42.369 1.00 0.00 N ATOM 0 H ARG A 66 -90.682 -17.158 -35.622 1.00 0.00 H new ATOM 0 HA ARG A 66 -91.499 -18.325 -38.169 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -92.737 -15.871 -36.901 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -92.644 -16.021 -38.644 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -94.070 -17.927 -36.754 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -94.829 -16.765 -37.824 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -93.144 -19.153 -38.677 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -94.889 -19.030 -38.791 1.00 0.00 H new ATOM 0 HE ARG A 66 -94.262 -16.932 -40.317 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -92.601 -20.055 -40.125 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -92.092 -20.015 -41.817 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -93.625 -16.927 -42.502 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -92.666 -18.263 -43.147 1.00 0.00 H new ATOM 685 N SER A 67 -89.532 -17.169 -39.078 1.00 0.00 N ATOM 686 CA SER A 67 -88.508 -16.443 -39.804 1.00 0.00 C ATOM 687 C SER A 67 -89.031 -16.123 -41.197 1.00 0.00 C ATOM 688 O SER A 67 -89.738 -16.937 -41.795 1.00 0.00 O ATOM 689 CB SER A 67 -87.219 -17.272 -39.885 1.00 0.00 C ATOM 690 OG SER A 67 -86.180 -16.556 -40.534 1.00 0.00 O ATOM 0 H SER A 67 -89.661 -18.133 -39.384 1.00 0.00 H new ATOM 0 HA SER A 67 -88.274 -15.515 -39.282 1.00 0.00 H new ATOM 0 HB2 SER A 67 -86.899 -17.548 -38.880 1.00 0.00 H new ATOM 0 HB3 SER A 67 -87.415 -18.199 -40.424 1.00 0.00 H new ATOM 0 HG SER A 67 -85.373 -17.110 -40.568 1.00 0.00 H new ATOM 696 N SER A 68 -88.719 -14.944 -41.706 1.00 0.00 N ATOM 697 CA SER A 68 -89.211 -14.536 -43.010 1.00 0.00 C ATOM 698 C SER A 68 -88.076 -14.006 -43.878 1.00 0.00 C ATOM 699 O SER A 68 -87.157 -13.348 -43.387 1.00 0.00 O ATOM 700 CB SER A 68 -90.303 -13.477 -42.857 1.00 0.00 C ATOM 701 OG SER A 68 -91.360 -13.956 -42.041 1.00 0.00 O ATOM 0 H SER A 68 -88.130 -14.255 -41.239 1.00 0.00 H new ATOM 0 HA SER A 68 -89.636 -15.410 -43.503 1.00 0.00 H new ATOM 0 HB2 SER A 68 -89.880 -12.573 -42.418 1.00 0.00 H new ATOM 0 HB3 SER A 68 -90.691 -13.204 -43.838 1.00 0.00 H new ATOM 0 HG SER A 68 -92.047 -13.262 -41.955 1.00 0.00 H new ATOM 707 N LYS A 69 -88.133 -14.325 -45.160 1.00 0.00 N ATOM 708 CA LYS A 69 -87.125 -13.883 -46.108 1.00 0.00 C ATOM 709 C LYS A 69 -87.742 -12.926 -47.122 1.00 0.00 C ATOM 710 O LYS A 69 -88.573 -13.335 -47.938 1.00 0.00 O ATOM 711 CB LYS A 69 -86.530 -15.095 -46.828 1.00 0.00 C ATOM 712 CG LYS A 69 -85.254 -14.803 -47.603 1.00 0.00 C ATOM 713 CD LYS A 69 -84.065 -14.579 -46.676 1.00 0.00 C ATOM 714 CE LYS A 69 -83.824 -15.779 -45.767 1.00 0.00 C ATOM 715 NZ LYS A 69 -82.547 -15.663 -45.012 1.00 0.00 N ATOM 0 H LYS A 69 -88.874 -14.894 -45.571 1.00 0.00 H new ATOM 0 HA LYS A 69 -86.334 -13.361 -45.570 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -86.324 -15.873 -46.093 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -87.275 -15.495 -47.516 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -85.039 -15.634 -48.275 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -85.401 -13.920 -48.225 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -83.171 -14.387 -47.270 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -84.240 -13.691 -46.068 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -84.652 -15.873 -45.065 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -83.809 -16.690 -46.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -82.424 -16.500 -44.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -81.753 -15.599 -45.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -82.570 -14.808 -44.420 1.00 0.00 H new ATOM 729 N GLN A 70 -87.339 -11.656 -47.044 1.00 0.00 N ATOM 730 CA GLN A 70 -87.785 -10.603 -47.968 1.00 0.00 C ATOM 731 C GLN A 70 -89.240 -10.202 -47.723 1.00 0.00 C ATOM 732 O GLN A 70 -89.519 -9.075 -47.316 1.00 0.00 O ATOM 733 CB GLN A 70 -87.604 -11.024 -49.431 1.00 0.00 C ATOM 734 CG GLN A 70 -86.169 -11.349 -49.804 1.00 0.00 C ATOM 735 CD GLN A 70 -86.022 -11.720 -51.265 1.00 0.00 C ATOM 736 OE1 GLN A 70 -85.163 -12.520 -51.627 1.00 0.00 O ATOM 737 NE2 GLN A 70 -86.856 -11.144 -52.116 1.00 0.00 N ATOM 0 H GLN A 70 -86.688 -11.323 -46.333 1.00 0.00 H new ATOM 0 HA GLN A 70 -87.154 -9.736 -47.771 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -88.227 -11.897 -49.627 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -87.965 -10.223 -50.077 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -85.536 -10.489 -49.585 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -85.813 -12.173 -49.185 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -87.556 -10.485 -51.777 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -86.799 -11.360 -53.111 1.00 0.00 H new ATOM 746 N TRP A 71 -90.164 -11.117 -47.989 1.00 0.00 N ATOM 747 CA TRP A 71 -91.583 -10.844 -47.801 1.00 0.00 C ATOM 748 C TRP A 71 -92.255 -11.961 -47.014 1.00 0.00 C ATOM 749 O TRP A 71 -92.268 -11.937 -45.784 1.00 0.00 O ATOM 750 CB TRP A 71 -92.299 -10.658 -49.146 1.00 0.00 C ATOM 751 CG TRP A 71 -91.958 -9.381 -49.857 1.00 0.00 C ATOM 752 CD1 TRP A 71 -90.925 -9.170 -50.725 1.00 0.00 C ATOM 753 CD2 TRP A 71 -92.667 -8.140 -49.765 1.00 0.00 C ATOM 754 NE1 TRP A 71 -90.948 -7.872 -51.175 1.00 0.00 N ATOM 755 CE2 TRP A 71 -92.005 -7.219 -50.599 1.00 0.00 C ATOM 756 CE3 TRP A 71 -93.791 -7.717 -49.055 1.00 0.00 C ATOM 757 CZ2 TRP A 71 -92.439 -5.904 -50.745 1.00 0.00 C ATOM 758 CZ3 TRP A 71 -94.222 -6.413 -49.201 1.00 0.00 C ATOM 759 CH2 TRP A 71 -93.545 -5.518 -50.038 1.00 0.00 C ATOM 0 H TRP A 71 -89.956 -12.054 -48.335 1.00 0.00 H new ATOM 0 HA TRP A 71 -91.660 -9.916 -47.234 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -92.052 -11.498 -49.795 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -93.376 -10.690 -48.979 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -90.197 -9.914 -51.015 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -90.285 -7.461 -51.832 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -94.316 -8.398 -48.402 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -91.921 -5.213 -51.393 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -95.095 -6.078 -48.661 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -93.903 -4.503 -50.127 1.00 0.00 H new ATOM 770 N GLU A 72 -92.773 -12.954 -47.744 1.00 0.00 N ATOM 771 CA GLU A 72 -93.586 -14.032 -47.172 1.00 0.00 C ATOM 772 C GLU A 72 -94.845 -13.478 -46.492 1.00 0.00 C ATOM 773 O GLU A 72 -95.940 -13.561 -47.047 1.00 0.00 O ATOM 774 CB GLU A 72 -92.763 -14.898 -46.211 1.00 0.00 C ATOM 775 CG GLU A 72 -91.586 -15.587 -46.893 1.00 0.00 C ATOM 776 CD GLU A 72 -90.944 -16.657 -46.037 1.00 0.00 C ATOM 777 OE1 GLU A 72 -91.467 -17.793 -46.000 1.00 0.00 O ATOM 778 OE2 GLU A 72 -89.906 -16.380 -45.408 1.00 0.00 O ATOM 0 H GLU A 72 -92.640 -13.033 -48.752 1.00 0.00 H new ATOM 0 HA GLU A 72 -93.912 -14.672 -47.991 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -92.391 -14.276 -45.397 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -93.411 -15.653 -45.765 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -91.926 -16.034 -47.827 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -90.836 -14.840 -47.152 1.00 0.00 H new ATOM 785 N ASP A 73 -94.687 -12.909 -45.301 1.00 0.00 N ATOM 786 CA ASP A 73 -95.784 -12.230 -44.612 1.00 0.00 C ATOM 787 C ASP A 73 -95.209 -11.252 -43.584 1.00 0.00 C ATOM 788 O ASP A 73 -95.152 -11.547 -42.394 1.00 0.00 O ATOM 789 CB ASP A 73 -96.725 -13.237 -43.929 1.00 0.00 C ATOM 790 CG ASP A 73 -98.075 -12.641 -43.555 1.00 0.00 C ATOM 791 OD1 ASP A 73 -98.220 -12.125 -42.424 1.00 0.00 O ATOM 792 OD2 ASP A 73 -99.012 -12.714 -44.381 1.00 0.00 O ATOM 0 H ASP A 73 -93.805 -12.904 -44.789 1.00 0.00 H new ATOM 0 HA ASP A 73 -96.371 -11.681 -45.348 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -96.882 -14.086 -44.594 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -96.244 -13.622 -43.030 1.00 0.00 H new ATOM 797 N PRO A 74 -94.735 -10.086 -44.056 1.00 0.00 N ATOM 798 CA PRO A 74 -94.070 -9.073 -43.227 1.00 0.00 C ATOM 799 C PRO A 74 -95.043 -8.048 -42.643 1.00 0.00 C ATOM 800 O PRO A 74 -94.708 -6.876 -42.475 1.00 0.00 O ATOM 801 CB PRO A 74 -93.164 -8.410 -44.243 1.00 0.00 C ATOM 802 CG PRO A 74 -94.018 -8.355 -45.441 1.00 0.00 C ATOM 803 CD PRO A 74 -94.793 -9.647 -45.459 1.00 0.00 C ATOM 0 HA PRO A 74 -93.570 -9.499 -42.357 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -92.851 -7.417 -43.921 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -92.257 -8.989 -44.417 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -94.690 -7.498 -45.402 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -93.417 -8.248 -46.344 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -95.820 -9.497 -45.793 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -94.343 -10.379 -46.130 1.00 0.00 H new ATOM 811 N SER A 75 -96.250 -8.497 -42.347 1.00 0.00 N ATOM 812 CA SER A 75 -97.299 -7.612 -41.866 1.00 0.00 C ATOM 813 C SER A 75 -97.316 -7.567 -40.330 1.00 0.00 C ATOM 814 O SER A 75 -96.298 -7.271 -39.699 1.00 0.00 O ATOM 815 CB SER A 75 -98.648 -8.085 -42.425 1.00 0.00 C ATOM 816 OG SER A 75 -99.678 -7.144 -42.172 1.00 0.00 O ATOM 0 H SER A 75 -96.530 -9.474 -42.432 1.00 0.00 H new ATOM 0 HA SER A 75 -97.106 -6.597 -42.214 1.00 0.00 H new ATOM 0 HB2 SER A 75 -98.560 -8.249 -43.499 1.00 0.00 H new ATOM 0 HB3 SER A 75 -98.912 -9.043 -41.977 1.00 0.00 H new ATOM 0 HG SER A 75 -100.522 -7.476 -42.543 1.00 0.00 H new ATOM 822 N GLN A 76 -98.483 -7.843 -39.746 1.00 0.00 N ATOM 823 CA GLN A 76 -98.671 -7.898 -38.300 1.00 0.00 C ATOM 824 C GLN A 76 -98.609 -6.513 -37.647 1.00 0.00 C ATOM 825 O GLN A 76 -99.642 -5.933 -37.321 1.00 0.00 O ATOM 826 CB GLN A 76 -97.669 -8.840 -37.633 1.00 0.00 C ATOM 827 CG GLN A 76 -97.978 -10.323 -37.796 1.00 0.00 C ATOM 828 CD GLN A 76 -97.602 -10.875 -39.156 1.00 0.00 C ATOM 829 OE1 GLN A 76 -96.484 -11.338 -39.360 1.00 0.00 O ATOM 830 NE2 GLN A 76 -98.541 -10.859 -40.086 1.00 0.00 N ATOM 0 H GLN A 76 -99.334 -8.037 -40.273 1.00 0.00 H new ATOM 0 HA GLN A 76 -99.675 -8.294 -38.144 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -96.678 -8.643 -38.043 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -97.626 -8.607 -36.569 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -97.447 -10.883 -37.026 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -99.043 -10.484 -37.630 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -99.459 -10.465 -39.878 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -98.348 -11.241 -41.012 1.00 0.00 H new ATOM 839 N ALA A 77 -97.408 -5.973 -37.492 1.00 0.00 N ATOM 840 CA ALA A 77 -97.199 -4.758 -36.702 1.00 0.00 C ATOM 841 C ALA A 77 -97.515 -3.480 -37.486 1.00 0.00 C ATOM 842 O ALA A 77 -96.924 -2.420 -37.241 1.00 0.00 O ATOM 843 CB ALA A 77 -95.768 -4.731 -36.198 1.00 0.00 C ATOM 0 H ALA A 77 -96.557 -6.356 -37.903 1.00 0.00 H new ATOM 0 HA ALA A 77 -97.893 -4.784 -35.862 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -95.607 -3.828 -35.609 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -95.585 -5.607 -35.576 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -95.083 -4.738 -37.046 1.00 0.00 H new ATOM 849 N SER A 78 -98.478 -3.571 -38.392 1.00 0.00 N ATOM 850 CA SER A 78 -98.865 -2.434 -39.219 1.00 0.00 C ATOM 851 C SER A 78 -99.306 -1.270 -38.338 1.00 0.00 C ATOM 852 O SER A 78 -98.995 -0.110 -38.614 1.00 0.00 O ATOM 853 CB SER A 78 -99.993 -2.839 -40.176 1.00 0.00 C ATOM 854 OG SER A 78 -100.270 -1.819 -41.119 1.00 0.00 O ATOM 0 H SER A 78 -99.008 -4.423 -38.574 1.00 0.00 H new ATOM 0 HA SER A 78 -98.005 -2.116 -39.809 1.00 0.00 H new ATOM 0 HB2 SER A 78 -99.715 -3.754 -40.700 1.00 0.00 H new ATOM 0 HB3 SER A 78 -100.894 -3.060 -39.604 1.00 0.00 H new ATOM 0 HG SER A 78 -100.992 -2.111 -41.714 1.00 0.00 H new ATOM 860 N LYS A 79 -99.995 -1.602 -37.254 1.00 0.00 N ATOM 861 CA LYS A 79 -100.516 -0.600 -36.339 1.00 0.00 C ATOM 862 C LYS A 79 -99.391 0.221 -35.709 1.00 0.00 C ATOM 863 O LYS A 79 -99.498 1.441 -35.593 1.00 0.00 O ATOM 864 CB LYS A 79 -101.340 -1.273 -35.236 1.00 0.00 C ATOM 865 CG LYS A 79 -102.111 -0.294 -34.364 1.00 0.00 C ATOM 866 CD LYS A 79 -103.209 0.411 -35.148 1.00 0.00 C ATOM 867 CE LYS A 79 -104.262 -0.575 -35.629 1.00 0.00 C ATOM 868 NZ LYS A 79 -105.336 0.090 -36.412 1.00 0.00 N ATOM 0 H LYS A 79 -100.206 -2.564 -36.988 1.00 0.00 H new ATOM 0 HA LYS A 79 -101.151 0.075 -36.912 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -102.043 -1.969 -35.694 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -100.674 -1.861 -34.605 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -102.550 -0.826 -33.520 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -101.425 0.446 -33.952 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -103.677 1.170 -34.521 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -102.774 0.928 -36.003 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -103.787 -1.340 -36.243 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -104.702 -1.083 -34.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -106.031 -0.619 -36.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -105.807 0.803 -35.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -104.922 0.553 -37.246 1.00 0.00 H new ATOM 882 N VAL A 80 -98.301 -0.439 -35.325 1.00 0.00 N ATOM 883 CA VAL A 80 -97.267 0.224 -34.561 1.00 0.00 C ATOM 884 C VAL A 80 -96.436 1.167 -35.432 1.00 0.00 C ATOM 885 O VAL A 80 -96.147 2.287 -35.018 1.00 0.00 O ATOM 886 CB VAL A 80 -96.363 -0.785 -33.814 1.00 0.00 C ATOM 887 CG1 VAL A 80 -97.207 -1.740 -32.981 1.00 0.00 C ATOM 888 CG2 VAL A 80 -95.452 -1.554 -34.759 1.00 0.00 C ATOM 0 H VAL A 80 -98.119 -1.421 -35.531 1.00 0.00 H new ATOM 0 HA VAL A 80 -97.773 0.829 -33.808 1.00 0.00 H new ATOM 0 HB VAL A 80 -95.718 -0.211 -33.149 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -96.556 -2.443 -32.462 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -97.784 -1.173 -32.251 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -97.886 -2.289 -33.633 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -94.838 -2.249 -34.187 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -96.057 -2.110 -35.476 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -94.808 -0.855 -35.293 1.00 0.00 H new ATOM 898 N CYS A 81 -96.083 0.751 -36.648 1.00 0.00 N ATOM 899 CA CYS A 81 -95.300 1.630 -37.516 1.00 0.00 C ATOM 900 C CYS A 81 -96.160 2.780 -38.022 1.00 0.00 C ATOM 901 O CYS A 81 -95.647 3.858 -38.317 1.00 0.00 O ATOM 902 CB CYS A 81 -94.657 0.870 -38.680 1.00 0.00 C ATOM 903 SG CYS A 81 -93.514 -0.435 -38.139 1.00 0.00 S ATOM 0 H CYS A 81 -96.317 -0.159 -37.045 1.00 0.00 H new ATOM 0 HA CYS A 81 -94.485 2.039 -36.919 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -95.441 0.426 -39.293 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -94.119 1.576 -39.313 1.00 0.00 H new ATOM 908 N GLN A 82 -97.472 2.564 -38.088 1.00 0.00 N ATOM 909 CA GLN A 82 -98.399 3.634 -38.434 1.00 0.00 C ATOM 910 C GLN A 82 -98.338 4.728 -37.375 1.00 0.00 C ATOM 911 O GLN A 82 -98.335 5.919 -37.688 1.00 0.00 O ATOM 912 CB GLN A 82 -99.831 3.107 -38.538 1.00 0.00 C ATOM 913 CG GLN A 82 -100.819 4.155 -39.018 1.00 0.00 C ATOM 914 CD GLN A 82 -102.257 3.729 -38.834 1.00 0.00 C ATOM 915 OE1 GLN A 82 -102.844 3.089 -39.706 1.00 0.00 O ATOM 916 NE2 GLN A 82 -102.845 4.099 -37.708 1.00 0.00 N ATOM 0 H GLN A 82 -97.913 1.662 -37.907 1.00 0.00 H new ATOM 0 HA GLN A 82 -98.107 4.039 -39.403 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -99.850 2.258 -39.222 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -100.148 2.738 -37.562 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -100.648 5.085 -38.476 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -100.638 4.363 -40.073 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -102.323 4.629 -37.010 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -103.820 3.854 -37.538 1.00 0.00 H new ATOM 925 N ARG A 83 -98.270 4.307 -36.117 1.00 0.00 N ATOM 926 CA ARG A 83 -98.158 5.235 -34.995 1.00 0.00 C ATOM 927 C ARG A 83 -96.787 5.909 -34.997 1.00 0.00 C ATOM 928 O ARG A 83 -96.609 6.988 -34.433 1.00 0.00 O ATOM 929 CB ARG A 83 -98.391 4.501 -33.672 1.00 0.00 C ATOM 930 CG ARG A 83 -99.757 3.834 -33.589 1.00 0.00 C ATOM 931 CD ARG A 83 -99.898 2.980 -32.341 1.00 0.00 C ATOM 932 NE ARG A 83 -99.965 3.779 -31.121 1.00 0.00 N ATOM 933 CZ ARG A 83 -100.235 3.269 -29.920 1.00 0.00 C ATOM 934 NH1 ARG A 83 -100.428 1.963 -29.775 1.00 0.00 N ATOM 935 NH2 ARG A 83 -100.317 4.062 -28.863 1.00 0.00 N ATOM 0 H ARG A 83 -98.291 3.324 -35.847 1.00 0.00 H new ATOM 0 HA ARG A 83 -98.922 6.005 -35.103 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -97.616 3.745 -33.542 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -98.288 5.208 -32.849 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -100.534 4.598 -33.595 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -99.912 3.214 -34.472 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -100.798 2.370 -32.422 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -99.053 2.294 -32.276 1.00 0.00 H new ATOM 0 HE ARG A 83 -99.796 4.782 -31.192 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -100.370 1.346 -30.585 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -100.634 1.577 -28.854 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -100.173 5.066 -28.967 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -100.524 3.668 -27.945 1.00 0.00 H new ATOM 949 N LEU A 84 -95.826 5.272 -35.656 1.00 0.00 N ATOM 950 CA LEU A 84 -94.497 5.845 -35.833 1.00 0.00 C ATOM 951 C LEU A 84 -94.434 6.631 -37.141 1.00 0.00 C ATOM 952 O LEU A 84 -93.368 7.105 -37.541 1.00 0.00 O ATOM 953 CB LEU A 84 -93.434 4.748 -35.828 1.00 0.00 C ATOM 954 CG LEU A 84 -92.854 4.404 -34.453 1.00 0.00 C ATOM 955 CD1 LEU A 84 -92.149 5.606 -33.850 1.00 0.00 C ATOM 956 CD2 LEU A 84 -93.929 3.889 -33.507 1.00 0.00 C ATOM 0 H LEU A 84 -95.944 4.352 -36.079 1.00 0.00 H new ATOM 0 HA LEU A 84 -94.299 6.522 -35.002 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -93.866 3.844 -36.258 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -92.617 5.053 -36.482 1.00 0.00 H new ATOM 0 HG LEU A 84 -92.124 3.607 -34.595 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -91.745 5.339 -32.874 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -91.336 5.918 -34.506 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -92.859 6.425 -33.737 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -93.482 3.655 -32.541 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -94.695 4.653 -33.376 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -94.381 2.990 -33.925 1.00 0.00 H new ATOM 968 N ASN A 85 -95.603 6.759 -37.788 1.00 0.00 N ATOM 969 CA ASN A 85 -95.760 7.400 -39.103 1.00 0.00 C ATOM 970 C ASN A 85 -94.687 6.940 -40.089 1.00 0.00 C ATOM 971 O ASN A 85 -94.151 7.720 -40.874 1.00 0.00 O ATOM 972 CB ASN A 85 -95.833 8.940 -39.003 1.00 0.00 C ATOM 973 CG ASN A 85 -94.598 9.606 -38.429 1.00 0.00 C ATOM 974 OD1 ASN A 85 -94.483 9.794 -37.215 1.00 0.00 O ATOM 975 ND2 ASN A 85 -93.676 9.985 -39.294 1.00 0.00 N ATOM 0 H ASN A 85 -96.483 6.413 -37.404 1.00 0.00 H new ATOM 0 HA ASN A 85 -96.721 7.072 -39.498 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -96.016 9.345 -39.998 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -96.691 9.208 -38.387 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -92.830 10.452 -38.966 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -93.809 9.811 -40.290 1.00 0.00 H new ATOM 982 N CYS A 86 -94.410 5.646 -40.052 1.00 0.00 N ATOM 983 CA CYS A 86 -93.449 5.030 -40.954 1.00 0.00 C ATOM 984 C CYS A 86 -94.177 4.256 -42.050 1.00 0.00 C ATOM 985 O CYS A 86 -93.553 3.623 -42.902 1.00 0.00 O ATOM 986 CB CYS A 86 -92.519 4.111 -40.159 1.00 0.00 C ATOM 987 SG CYS A 86 -91.589 4.974 -38.857 1.00 0.00 S ATOM 0 H CYS A 86 -94.844 4.995 -39.398 1.00 0.00 H new ATOM 0 HA CYS A 86 -92.849 5.805 -41.431 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -93.109 3.314 -39.706 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -91.816 3.638 -40.844 1.00 0.00 H new ATOM 992 N GLY A 87 -95.506 4.318 -42.016 1.00 0.00 N ATOM 993 CA GLY A 87 -96.315 3.697 -43.047 1.00 0.00 C ATOM 994 C GLY A 87 -96.730 2.284 -42.696 1.00 0.00 C ATOM 995 O GLY A 87 -97.384 2.052 -41.677 1.00 0.00 O ATOM 0 H GLY A 87 -96.039 4.791 -41.286 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -97.206 4.301 -43.216 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -95.756 3.685 -43.983 1.00 0.00 H new ATOM 999 N ASP A 88 -96.332 1.344 -43.539 1.00 0.00 N ATOM 1000 CA ASP A 88 -96.659 -0.064 -43.354 1.00 0.00 C ATOM 1001 C ASP A 88 -95.734 -0.669 -42.305 1.00 0.00 C ATOM 1002 O ASP A 88 -94.796 -0.004 -41.857 1.00 0.00 O ATOM 1003 CB ASP A 88 -96.526 -0.801 -44.695 1.00 0.00 C ATOM 1004 CG ASP A 88 -97.696 -0.537 -45.618 1.00 0.00 C ATOM 1005 OD1 ASP A 88 -98.700 -1.275 -45.535 1.00 0.00 O ATOM 1006 OD2 ASP A 88 -97.618 0.407 -46.433 1.00 0.00 O ATOM 0 H ASP A 88 -95.773 1.534 -44.371 1.00 0.00 H new ATOM 0 HA ASP A 88 -97.687 -0.164 -43.005 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -95.603 -0.493 -45.186 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -96.447 -1.872 -44.511 1.00 0.00 H new ATOM 1011 N PRO A 89 -95.973 -1.915 -41.858 1.00 0.00 N ATOM 1012 CA PRO A 89 -95.135 -2.515 -40.839 1.00 0.00 C ATOM 1013 C PRO A 89 -93.773 -2.889 -41.333 1.00 0.00 C ATOM 1014 O PRO A 89 -93.571 -3.216 -42.502 1.00 0.00 O ATOM 1015 CB PRO A 89 -95.862 -3.770 -40.424 1.00 0.00 C ATOM 1016 CG PRO A 89 -96.707 -4.126 -41.589 1.00 0.00 C ATOM 1017 CD PRO A 89 -97.061 -2.825 -42.269 1.00 0.00 C ATOM 0 HA PRO A 89 -94.975 -1.802 -40.030 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -95.162 -4.571 -40.184 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -96.468 -3.599 -39.534 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -96.172 -4.788 -42.270 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -97.605 -4.655 -41.271 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -97.103 -2.937 -43.352 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -98.035 -2.456 -41.948 1.00 0.00 H new ATOM 1025 N LEU A 90 -92.851 -2.765 -40.420 1.00 0.00 N ATOM 1026 CA LEU A 90 -91.527 -3.289 -40.543 1.00 0.00 C ATOM 1027 C LEU A 90 -91.504 -4.624 -41.257 1.00 0.00 C ATOM 1028 O LEU A 90 -92.048 -5.620 -40.797 1.00 0.00 O ATOM 1029 CB LEU A 90 -90.850 -3.359 -39.167 1.00 0.00 C ATOM 1030 CG LEU A 90 -91.789 -3.377 -37.941 1.00 0.00 C ATOM 1031 CD1 LEU A 90 -92.910 -4.381 -38.098 1.00 0.00 C ATOM 1032 CD2 LEU A 90 -91.011 -3.671 -36.678 1.00 0.00 C ATOM 0 H LEU A 90 -93.011 -2.277 -39.538 1.00 0.00 H new ATOM 0 HA LEU A 90 -90.953 -2.604 -41.167 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -90.230 -4.255 -39.136 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -90.180 -2.505 -39.072 1.00 0.00 H new ATOM 0 HG LEU A 90 -92.236 -2.386 -37.868 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -93.545 -4.359 -37.212 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -93.504 -4.129 -38.977 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -92.490 -5.380 -38.218 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -91.690 -3.679 -35.826 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -90.528 -4.644 -36.766 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -90.253 -2.902 -36.530 1.00 0.00 H new ATOM 1044 N SER A 91 -90.915 -4.583 -42.424 1.00 0.00 N ATOM 1045 CA SER A 91 -90.680 -5.772 -43.217 1.00 0.00 C ATOM 1046 C SER A 91 -89.594 -6.611 -42.553 1.00 0.00 C ATOM 1047 O SER A 91 -88.693 -6.067 -41.903 1.00 0.00 O ATOM 1048 CB SER A 91 -90.272 -5.378 -44.640 1.00 0.00 C ATOM 1049 OG SER A 91 -90.114 -6.518 -45.469 1.00 0.00 O ATOM 0 H SER A 91 -90.581 -3.722 -42.857 1.00 0.00 H new ATOM 0 HA SER A 91 -91.594 -6.363 -43.278 1.00 0.00 H new ATOM 0 HB2 SER A 91 -91.027 -4.718 -45.067 1.00 0.00 H new ATOM 0 HB3 SER A 91 -89.338 -4.816 -44.610 1.00 0.00 H new ATOM 0 HG SER A 91 -89.855 -6.234 -46.370 1.00 0.00 H new ATOM 1055 N LEU A 92 -89.684 -7.923 -42.702 1.00 0.00 N ATOM 1056 CA LEU A 92 -88.753 -8.825 -42.047 1.00 0.00 C ATOM 1057 C LEU A 92 -87.522 -9.077 -42.905 1.00 0.00 C ATOM 1058 O LEU A 92 -87.613 -9.569 -44.030 1.00 0.00 O ATOM 1059 CB LEU A 92 -89.437 -10.145 -41.689 1.00 0.00 C ATOM 1060 CG LEU A 92 -90.321 -10.090 -40.443 1.00 0.00 C ATOM 1061 CD1 LEU A 92 -91.790 -9.978 -40.816 1.00 0.00 C ATOM 1062 CD2 LEU A 92 -90.070 -11.295 -39.554 1.00 0.00 C ATOM 0 H LEU A 92 -90.393 -8.386 -43.271 1.00 0.00 H new ATOM 0 HA LEU A 92 -88.424 -8.344 -41.126 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -90.045 -10.464 -42.535 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -88.671 -10.907 -41.541 1.00 0.00 H new ATOM 0 HG LEU A 92 -90.057 -9.195 -39.880 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -92.394 -9.941 -39.909 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -91.950 -9.069 -41.396 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -92.081 -10.844 -41.411 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -90.709 -11.236 -38.673 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -90.295 -12.208 -40.106 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -89.025 -11.307 -39.244 1.00 0.00 H new ATOM 1074 N GLY A 93 -86.373 -8.730 -42.353 1.00 0.00 N ATOM 1075 CA GLY A 93 -85.111 -8.942 -43.025 1.00 0.00 C ATOM 1076 C GLY A 93 -83.960 -8.634 -42.096 1.00 0.00 C ATOM 1077 O GLY A 93 -84.107 -7.799 -41.209 1.00 0.00 O ATOM 0 H GLY A 93 -86.292 -8.297 -41.433 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -85.043 -9.975 -43.368 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -85.052 -8.308 -43.910 1.00 0.00 H new ATOM 1081 N PRO A 94 -82.803 -9.295 -42.258 1.00 0.00 N ATOM 1082 CA PRO A 94 -81.654 -9.103 -41.362 1.00 0.00 C ATOM 1083 C PRO A 94 -81.176 -7.655 -41.365 1.00 0.00 C ATOM 1084 O PRO A 94 -80.928 -7.070 -42.424 1.00 0.00 O ATOM 1085 CB PRO A 94 -80.584 -10.045 -41.931 1.00 0.00 C ATOM 1086 CG PRO A 94 -80.998 -10.280 -43.343 1.00 0.00 C ATOM 1087 CD PRO A 94 -82.501 -10.249 -43.337 1.00 0.00 C ATOM 0 HA PRO A 94 -81.896 -9.320 -40.322 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -79.592 -9.595 -41.879 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -80.540 -10.979 -41.371 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -80.593 -9.512 -44.003 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -80.628 -11.239 -43.705 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -82.903 -9.917 -44.294 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -82.925 -11.233 -43.137 1.00 0.00 H new ATOM 1095 N PHE A 95 -81.062 -7.074 -40.179 1.00 0.00 N ATOM 1096 CA PHE A 95 -80.747 -5.663 -40.057 1.00 0.00 C ATOM 1097 C PHE A 95 -79.620 -5.456 -39.056 1.00 0.00 C ATOM 1098 O PHE A 95 -79.815 -5.622 -37.849 1.00 0.00 O ATOM 1099 CB PHE A 95 -81.992 -4.882 -39.624 1.00 0.00 C ATOM 1100 CG PHE A 95 -81.931 -3.416 -39.959 1.00 0.00 C ATOM 1101 CD1 PHE A 95 -82.322 -2.964 -41.211 1.00 0.00 C ATOM 1102 CD2 PHE A 95 -81.482 -2.494 -39.029 1.00 0.00 C ATOM 1103 CE1 PHE A 95 -82.265 -1.621 -41.528 1.00 0.00 C ATOM 1104 CE2 PHE A 95 -81.423 -1.147 -39.340 1.00 0.00 C ATOM 1105 CZ PHE A 95 -81.815 -0.712 -40.591 1.00 0.00 C ATOM 0 H PHE A 95 -81.183 -7.560 -39.290 1.00 0.00 H new ATOM 0 HA PHE A 95 -80.419 -5.292 -41.028 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -82.869 -5.319 -40.102 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -82.125 -4.995 -38.548 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -82.675 -3.671 -41.947 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -81.174 -2.830 -38.050 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -82.572 -1.282 -42.507 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -81.071 -0.437 -38.606 1.00 0.00 H new ATOM 0 HZ PHE A 95 -81.770 0.339 -40.836 1.00 0.00 H new ATOM 1115 N LEU A 96 -78.439 -5.119 -39.577 1.00 0.00 N ATOM 1116 CA LEU A 96 -77.260 -4.845 -38.754 1.00 0.00 C ATOM 1117 C LEU A 96 -76.861 -6.070 -37.932 1.00 0.00 C ATOM 1118 O LEU A 96 -77.202 -7.201 -38.277 1.00 0.00 O ATOM 1119 CB LEU A 96 -77.517 -3.652 -37.822 1.00 0.00 C ATOM 1120 CG LEU A 96 -77.808 -2.319 -38.516 1.00 0.00 C ATOM 1121 CD1 LEU A 96 -78.092 -1.239 -37.484 1.00 0.00 C ATOM 1122 CD2 LEU A 96 -76.643 -1.909 -39.405 1.00 0.00 C ATOM 0 H LEU A 96 -78.273 -5.028 -40.579 1.00 0.00 H new ATOM 0 HA LEU A 96 -76.438 -4.600 -39.427 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -78.359 -3.895 -37.174 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -76.647 -3.523 -37.178 1.00 0.00 H new ATOM 0 HG LEU A 96 -78.690 -2.444 -39.144 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -78.297 -0.296 -37.991 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -78.957 -1.525 -36.886 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -77.225 -1.120 -36.834 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -76.871 -0.959 -39.888 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -75.743 -1.801 -38.799 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -76.479 -2.673 -40.165 1.00 0.00 H new ATOM 1134 N LYS A 97 -76.105 -5.835 -36.865 1.00 0.00 N ATOM 1135 CA LYS A 97 -75.725 -6.884 -35.930 1.00 0.00 C ATOM 1136 C LYS A 97 -75.311 -6.252 -34.606 1.00 0.00 C ATOM 1137 O LYS A 97 -74.198 -5.748 -34.470 1.00 0.00 O ATOM 1138 CB LYS A 97 -74.572 -7.727 -36.498 1.00 0.00 C ATOM 1139 CG LYS A 97 -74.158 -8.902 -35.617 1.00 0.00 C ATOM 1140 CD LYS A 97 -75.272 -9.931 -35.498 1.00 0.00 C ATOM 1141 CE LYS A 97 -74.784 -11.225 -34.863 1.00 0.00 C ATOM 1142 NZ LYS A 97 -74.479 -11.074 -33.414 1.00 0.00 N ATOM 0 H LYS A 97 -75.740 -4.913 -36.626 1.00 0.00 H new ATOM 0 HA LYS A 97 -76.579 -7.542 -35.769 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -74.864 -8.107 -37.477 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -73.707 -7.081 -36.652 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -73.268 -9.374 -36.034 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -73.891 -8.538 -34.625 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -76.085 -9.518 -34.901 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -75.678 -10.143 -36.487 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -75.543 -11.997 -34.992 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -73.890 -11.566 -35.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -74.151 -11.984 -33.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -73.736 -10.358 -33.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -75.337 -10.775 -32.908 1.00 0.00 H new ATOM 1156 N THR A 98 -76.219 -6.245 -33.643 1.00 0.00 N ATOM 1157 CA THR A 98 -75.936 -5.654 -32.344 1.00 0.00 C ATOM 1158 C THR A 98 -76.427 -6.549 -31.212 1.00 0.00 C ATOM 1159 O THR A 98 -75.755 -7.514 -30.844 1.00 0.00 O ATOM 1160 CB THR A 98 -76.569 -4.250 -32.209 1.00 0.00 C ATOM 1161 OG1 THR A 98 -77.929 -4.280 -32.675 1.00 0.00 O ATOM 1162 CG2 THR A 98 -75.785 -3.208 -32.994 1.00 0.00 C ATOM 0 H THR A 98 -77.155 -6.640 -33.735 1.00 0.00 H new ATOM 0 HA THR A 98 -74.853 -5.554 -32.270 1.00 0.00 H new ATOM 0 HB THR A 98 -76.545 -3.972 -31.155 1.00 0.00 H new ATOM 0 HG1 THR A 98 -77.951 -4.074 -33.633 1.00 0.00 H new ATOM 0 HG21 THR A 98 -76.258 -2.233 -32.877 1.00 0.00 H new ATOM 0 HG22 THR A 98 -74.763 -3.163 -32.619 1.00 0.00 H new ATOM 0 HG23 THR A 98 -75.773 -3.481 -34.049 1.00 0.00 H new ATOM 1170 N TYR A 99 -77.616 -6.235 -30.698 1.00 0.00 N ATOM 1171 CA TYR A 99 -78.222 -6.950 -29.569 1.00 0.00 C ATOM 1172 C TYR A 99 -77.380 -6.818 -28.294 1.00 0.00 C ATOM 1173 O TYR A 99 -76.207 -6.445 -28.329 1.00 0.00 O ATOM 1174 CB TYR A 99 -78.435 -8.438 -29.885 1.00 0.00 C ATOM 1175 CG TYR A 99 -79.281 -8.709 -31.108 1.00 0.00 C ATOM 1176 CD1 TYR A 99 -80.662 -8.556 -31.079 1.00 0.00 C ATOM 1177 CD2 TYR A 99 -78.693 -9.130 -32.292 1.00 0.00 C ATOM 1178 CE1 TYR A 99 -81.431 -8.815 -32.198 1.00 0.00 C ATOM 1179 CE2 TYR A 99 -79.454 -9.393 -33.412 1.00 0.00 C ATOM 1180 CZ TYR A 99 -80.820 -9.234 -33.362 1.00 0.00 C ATOM 1181 OH TYR A 99 -81.576 -9.505 -34.476 1.00 0.00 O ATOM 0 H TYR A 99 -78.192 -5.472 -31.054 1.00 0.00 H new ATOM 0 HA TYR A 99 -79.193 -6.484 -29.400 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -77.462 -8.909 -30.021 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -78.902 -8.915 -29.024 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -81.142 -8.230 -30.168 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -77.621 -9.254 -32.338 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -82.503 -8.690 -32.161 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -78.980 -9.722 -34.325 1.00 0.00 H new ATOM 0 HH TYR A 99 -81.300 -8.917 -35.210 1.00 0.00 H new ATOM 1191 N THR A 100 -78.005 -7.092 -27.164 1.00 0.00 N ATOM 1192 CA THR A 100 -77.319 -7.117 -25.881 1.00 0.00 C ATOM 1193 C THR A 100 -77.995 -8.136 -24.962 1.00 0.00 C ATOM 1194 O THR A 100 -79.013 -7.825 -24.334 1.00 0.00 O ATOM 1195 CB THR A 100 -77.309 -5.728 -25.209 1.00 0.00 C ATOM 1196 OG1 THR A 100 -76.833 -4.740 -26.134 1.00 0.00 O ATOM 1197 CG2 THR A 100 -76.422 -5.730 -23.973 1.00 0.00 C ATOM 0 H THR A 100 -79.001 -7.304 -27.107 1.00 0.00 H new ATOM 0 HA THR A 100 -76.282 -7.404 -26.058 1.00 0.00 H new ATOM 0 HB THR A 100 -78.329 -5.489 -24.908 1.00 0.00 H new ATOM 0 HG1 THR A 100 -76.831 -3.861 -25.701 1.00 0.00 H new ATOM 0 HG21 THR A 100 -76.431 -4.740 -23.517 1.00 0.00 H new ATOM 0 HG22 THR A 100 -76.796 -6.463 -23.258 1.00 0.00 H new ATOM 0 HG23 THR A 100 -75.402 -5.989 -24.257 1.00 0.00 H new ATOM 1205 N PRO A 101 -77.464 -9.376 -24.925 1.00 0.00 N ATOM 1206 CA PRO A 101 -78.010 -10.479 -24.118 1.00 0.00 C ATOM 1207 C PRO A 101 -78.149 -10.113 -22.644 1.00 0.00 C ATOM 1208 O PRO A 101 -77.261 -10.383 -21.832 1.00 0.00 O ATOM 1209 CB PRO A 101 -76.997 -11.618 -24.300 1.00 0.00 C ATOM 1210 CG PRO A 101 -75.795 -10.993 -24.928 1.00 0.00 C ATOM 1211 CD PRO A 101 -76.292 -9.802 -25.694 1.00 0.00 C ATOM 0 HA PRO A 101 -79.017 -10.744 -24.439 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -76.746 -12.075 -23.343 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -77.404 -12.407 -24.933 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -75.071 -10.693 -24.170 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -75.291 -11.698 -25.589 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -75.539 -9.016 -25.749 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -76.556 -10.064 -26.719 1.00 0.00 H new ATOM 1219 N GLN A 102 -79.281 -9.504 -22.327 1.00 0.00 N ATOM 1220 CA GLN A 102 -79.557 -8.959 -21.009 1.00 0.00 C ATOM 1221 C GLN A 102 -80.855 -8.171 -21.099 1.00 0.00 C ATOM 1222 O GLN A 102 -81.790 -8.382 -20.330 1.00 0.00 O ATOM 1223 CB GLN A 102 -78.426 -8.027 -20.563 1.00 0.00 C ATOM 1224 CG GLN A 102 -78.323 -7.847 -19.060 1.00 0.00 C ATOM 1225 CD GLN A 102 -77.905 -9.121 -18.356 1.00 0.00 C ATOM 1226 OE1 GLN A 102 -78.743 -9.910 -17.920 1.00 0.00 O ATOM 1227 NE2 GLN A 102 -76.604 -9.333 -18.243 1.00 0.00 N ATOM 0 H GLN A 102 -80.045 -9.373 -22.990 1.00 0.00 H new ATOM 0 HA GLN A 102 -79.638 -9.767 -20.282 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -77.480 -8.418 -20.936 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -78.572 -7.051 -21.025 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -77.603 -7.059 -18.839 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -79.286 -7.517 -18.669 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -75.942 -8.654 -18.618 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -76.263 -10.176 -17.781 1.00 0.00 H new ATOM 1236 N SER A 103 -80.893 -7.272 -22.075 1.00 0.00 N ATOM 1237 CA SER A 103 -82.082 -6.491 -22.356 1.00 0.00 C ATOM 1238 C SER A 103 -82.737 -6.994 -23.643 1.00 0.00 C ATOM 1239 O SER A 103 -83.963 -6.980 -23.773 1.00 0.00 O ATOM 1240 CB SER A 103 -81.722 -5.007 -22.474 1.00 0.00 C ATOM 1241 OG SER A 103 -82.881 -4.193 -22.549 1.00 0.00 O ATOM 0 H SER A 103 -80.104 -7.068 -22.688 1.00 0.00 H new ATOM 0 HA SER A 103 -82.791 -6.606 -21.536 1.00 0.00 H new ATOM 0 HB2 SER A 103 -81.122 -4.708 -21.615 1.00 0.00 H new ATOM 0 HB3 SER A 103 -81.109 -4.850 -23.361 1.00 0.00 H new ATOM 0 HG SER A 103 -82.651 -3.273 -22.304 1.00 0.00 H new ATOM 1247 N SER A 104 -81.922 -7.450 -24.593 1.00 0.00 N ATOM 1248 CA SER A 104 -82.461 -8.058 -25.797 1.00 0.00 C ATOM 1249 C SER A 104 -82.636 -9.546 -25.556 1.00 0.00 C ATOM 1250 O SER A 104 -81.884 -10.143 -24.783 1.00 0.00 O ATOM 1251 CB SER A 104 -81.550 -7.814 -27.004 1.00 0.00 C ATOM 1252 OG SER A 104 -80.296 -8.443 -26.837 1.00 0.00 O ATOM 0 H SER A 104 -80.904 -7.409 -24.550 1.00 0.00 H new ATOM 0 HA SER A 104 -83.425 -7.602 -26.023 1.00 0.00 H new ATOM 0 HB2 SER A 104 -82.031 -8.191 -27.907 1.00 0.00 H new ATOM 0 HB3 SER A 104 -81.406 -6.742 -27.143 1.00 0.00 H new ATOM 0 HG SER A 104 -80.284 -9.286 -27.337 1.00 0.00 H new ATOM 1258 N ILE A 105 -83.612 -10.143 -26.211 1.00 0.00 N ATOM 1259 CA ILE A 105 -83.971 -11.522 -25.940 1.00 0.00 C ATOM 1260 C ILE A 105 -84.426 -12.250 -27.195 1.00 0.00 C ATOM 1261 O ILE A 105 -84.575 -11.657 -28.264 1.00 0.00 O ATOM 1262 CB ILE A 105 -85.095 -11.610 -24.875 1.00 0.00 C ATOM 1263 CG1 ILE A 105 -86.127 -10.487 -25.070 1.00 0.00 C ATOM 1264 CG2 ILE A 105 -84.516 -11.554 -23.469 1.00 0.00 C ATOM 1265 CD1 ILE A 105 -86.964 -10.605 -26.324 1.00 0.00 C ATOM 0 H ILE A 105 -84.172 -9.694 -26.936 1.00 0.00 H new ATOM 0 HA ILE A 105 -83.069 -12.004 -25.562 1.00 0.00 H new ATOM 0 HB ILE A 105 -85.600 -12.568 -25.003 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -86.792 -10.470 -24.207 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -85.604 -9.531 -25.088 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -85.324 -11.617 -22.740 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -83.830 -12.389 -23.324 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -83.978 -10.615 -23.334 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -87.662 -9.770 -26.375 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -86.314 -10.589 -27.198 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -87.520 -11.542 -26.303 1.00 0.00 H new ATOM 1277 N ILE A 106 -84.638 -13.540 -27.041 1.00 0.00 N ATOM 1278 CA ILE A 106 -85.260 -14.355 -28.065 1.00 0.00 C ATOM 1279 C ILE A 106 -86.515 -14.970 -27.463 1.00 0.00 C ATOM 1280 O ILE A 106 -86.421 -15.834 -26.591 1.00 0.00 O ATOM 1281 CB ILE A 106 -84.340 -15.496 -28.536 1.00 0.00 C ATOM 1282 CG1 ILE A 106 -83.014 -14.927 -29.021 1.00 0.00 C ATOM 1283 CG2 ILE A 106 -85.014 -16.313 -29.635 1.00 0.00 C ATOM 1284 CD1 ILE A 106 -82.079 -15.968 -29.582 1.00 0.00 C ATOM 0 H ILE A 106 -84.383 -14.056 -26.199 1.00 0.00 H new ATOM 0 HA ILE A 106 -85.479 -13.724 -28.927 1.00 0.00 H new ATOM 0 HB ILE A 106 -84.147 -16.162 -27.695 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -83.209 -14.176 -29.786 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -82.522 -14.418 -28.192 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -84.347 -17.114 -29.954 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -85.940 -16.742 -29.253 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -85.237 -15.667 -30.484 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -81.155 -15.490 -29.907 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -81.854 -16.707 -28.813 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -82.551 -16.461 -30.432 1.00 0.00 H new ATOM 1296 N CYS A 107 -87.680 -14.516 -27.873 1.00 0.00 N ATOM 1297 CA CYS A 107 -88.908 -15.047 -27.304 1.00 0.00 C ATOM 1298 C CYS A 107 -89.291 -16.335 -28.013 1.00 0.00 C ATOM 1299 O CYS A 107 -88.687 -16.690 -29.024 1.00 0.00 O ATOM 1300 CB CYS A 107 -90.044 -14.035 -27.397 1.00 0.00 C ATOM 1301 SG CYS A 107 -89.642 -12.365 -26.804 1.00 0.00 S ATOM 0 H CYS A 107 -87.807 -13.795 -28.583 1.00 0.00 H new ATOM 0 HA CYS A 107 -88.733 -15.255 -26.249 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -90.364 -13.967 -28.437 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -90.893 -14.412 -26.826 1.00 0.00 H new ATOM 1306 N TYR A 108 -90.282 -17.034 -27.486 1.00 0.00 N ATOM 1307 CA TYR A 108 -90.699 -18.311 -28.045 1.00 0.00 C ATOM 1308 C TYR A 108 -92.199 -18.497 -27.883 1.00 0.00 C ATOM 1309 O TYR A 108 -92.882 -17.629 -27.338 1.00 0.00 O ATOM 1310 CB TYR A 108 -89.959 -19.459 -27.360 1.00 0.00 C ATOM 1311 CG TYR A 108 -88.485 -19.542 -27.692 1.00 0.00 C ATOM 1312 CD1 TYR A 108 -88.052 -20.114 -28.882 1.00 0.00 C ATOM 1313 CD2 TYR A 108 -87.528 -19.055 -26.812 1.00 0.00 C ATOM 1314 CE1 TYR A 108 -86.706 -20.203 -29.182 1.00 0.00 C ATOM 1315 CE2 TYR A 108 -86.183 -19.136 -27.107 1.00 0.00 C ATOM 1316 CZ TYR A 108 -85.777 -19.711 -28.291 1.00 0.00 C ATOM 1317 OH TYR A 108 -84.435 -19.803 -28.579 1.00 0.00 O ATOM 0 H TYR A 108 -90.815 -16.738 -26.668 1.00 0.00 H new ATOM 0 HA TYR A 108 -90.455 -18.315 -29.107 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -90.070 -19.353 -26.281 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -90.435 -20.399 -27.639 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -88.779 -20.495 -29.584 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -87.842 -18.605 -25.881 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -86.384 -20.655 -30.109 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -85.451 -18.750 -26.413 1.00 0.00 H new ATOM 0 HH TYR A 108 -83.916 -19.408 -27.848 1.00 0.00 H new ATOM 1327 N GLY A 109 -92.699 -19.631 -28.344 1.00 0.00 N ATOM 1328 CA GLY A 109 -94.116 -19.896 -28.275 1.00 0.00 C ATOM 1329 C GLY A 109 -94.790 -19.650 -29.604 1.00 0.00 C ATOM 1330 O GLY A 109 -94.214 -19.922 -30.658 1.00 0.00 O ATOM 0 H GLY A 109 -92.144 -20.375 -28.767 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -94.280 -20.929 -27.969 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -94.569 -19.262 -27.513 1.00 0.00 H new ATOM 1334 N GLN A 110 -96.009 -19.146 -29.565 1.00 0.00 N ATOM 1335 CA GLN A 110 -96.727 -18.818 -30.782 1.00 0.00 C ATOM 1336 C GLN A 110 -96.626 -17.333 -31.075 1.00 0.00 C ATOM 1337 O GLN A 110 -96.722 -16.499 -30.169 1.00 0.00 O ATOM 1338 CB GLN A 110 -98.195 -19.231 -30.679 1.00 0.00 C ATOM 1339 CG GLN A 110 -98.409 -20.734 -30.720 1.00 0.00 C ATOM 1340 CD GLN A 110 -97.994 -21.355 -32.044 1.00 0.00 C ATOM 1341 OE1 GLN A 110 -97.546 -22.501 -32.089 1.00 0.00 O ATOM 1342 NE2 GLN A 110 -98.153 -20.616 -33.133 1.00 0.00 N ATOM 0 H GLN A 110 -96.522 -18.955 -28.705 1.00 0.00 H new ATOM 0 HA GLN A 110 -96.269 -19.372 -31.601 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -98.610 -18.839 -29.750 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -98.751 -18.771 -31.496 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -97.842 -21.199 -29.913 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -99.461 -20.951 -30.537 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -98.527 -19.670 -33.057 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -97.901 -20.993 -34.047 1.00 0.00 H new ATOM 1351 N LEU A 111 -96.421 -17.011 -32.344 1.00 0.00 N ATOM 1352 CA LEU A 111 -96.369 -15.629 -32.787 1.00 0.00 C ATOM 1353 C LEU A 111 -97.688 -14.949 -32.442 1.00 0.00 C ATOM 1354 O LEU A 111 -98.760 -15.446 -32.797 1.00 0.00 O ATOM 1355 CB LEU A 111 -96.117 -15.568 -34.298 1.00 0.00 C ATOM 1356 CG LEU A 111 -95.758 -14.185 -34.842 1.00 0.00 C ATOM 1357 CD1 LEU A 111 -94.412 -13.732 -34.295 1.00 0.00 C ATOM 1358 CD2 LEU A 111 -95.746 -14.198 -36.363 1.00 0.00 C ATOM 0 H LEU A 111 -96.287 -17.695 -33.089 1.00 0.00 H new ATOM 0 HA LEU A 111 -95.552 -15.113 -32.283 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -95.310 -16.258 -34.544 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -97.009 -15.924 -34.814 1.00 0.00 H new ATOM 0 HG LEU A 111 -96.517 -13.475 -34.513 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -94.171 -12.746 -34.692 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -94.459 -13.684 -33.207 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -93.640 -14.442 -34.594 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -95.489 -13.206 -36.733 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -95.008 -14.919 -36.715 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -96.732 -14.478 -36.732 1.00 0.00 H new ATOM 1370 N GLY A 112 -97.622 -13.826 -31.742 1.00 0.00 N ATOM 1371 CA GLY A 112 -98.830 -13.212 -31.255 1.00 0.00 C ATOM 1372 C GLY A 112 -99.014 -13.403 -29.761 1.00 0.00 C ATOM 1373 O GLY A 112 -100.071 -13.084 -29.218 1.00 0.00 O ATOM 0 H GLY A 112 -96.759 -13.336 -31.506 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -98.810 -12.146 -31.483 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -99.686 -13.634 -31.781 1.00 0.00 H new ATOM 1377 N SER A 113 -98.003 -13.946 -29.100 1.00 0.00 N ATOM 1378 CA SER A 113 -98.023 -14.058 -27.649 1.00 0.00 C ATOM 1379 C SER A 113 -96.708 -13.559 -27.052 1.00 0.00 C ATOM 1380 O SER A 113 -95.766 -14.326 -26.868 1.00 0.00 O ATOM 1381 CB SER A 113 -98.282 -15.507 -27.227 1.00 0.00 C ATOM 1382 OG SER A 113 -99.519 -15.976 -27.743 1.00 0.00 O ATOM 0 H SER A 113 -97.161 -14.315 -29.543 1.00 0.00 H new ATOM 0 HA SER A 113 -98.833 -13.435 -27.269 1.00 0.00 H new ATOM 0 HB2 SER A 113 -97.471 -16.143 -27.583 1.00 0.00 H new ATOM 0 HB3 SER A 113 -98.288 -15.577 -26.139 1.00 0.00 H new ATOM 0 HG SER A 113 -99.660 -16.904 -27.461 1.00 0.00 H new ATOM 1388 N PHE A 114 -96.641 -12.263 -26.770 1.00 0.00 N ATOM 1389 CA PHE A 114 -95.451 -11.657 -26.177 1.00 0.00 C ATOM 1390 C PHE A 114 -95.506 -11.793 -24.657 1.00 0.00 C ATOM 1391 O PHE A 114 -95.206 -10.851 -23.926 1.00 0.00 O ATOM 1392 CB PHE A 114 -95.361 -10.170 -26.557 1.00 0.00 C ATOM 1393 CG PHE A 114 -95.111 -9.897 -28.019 1.00 0.00 C ATOM 1394 CD1 PHE A 114 -95.943 -10.416 -29.001 1.00 0.00 C ATOM 1395 CD2 PHE A 114 -94.048 -9.101 -28.404 1.00 0.00 C ATOM 1396 CE1 PHE A 114 -95.713 -10.148 -30.336 1.00 0.00 C ATOM 1397 CE2 PHE A 114 -93.812 -8.831 -29.738 1.00 0.00 C ATOM 1398 CZ PHE A 114 -94.645 -9.354 -30.705 1.00 0.00 C ATOM 0 H PHE A 114 -97.402 -11.606 -26.943 1.00 0.00 H new ATOM 0 HA PHE A 114 -94.570 -12.173 -26.558 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -96.290 -9.680 -26.266 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -94.562 -9.710 -25.976 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -96.780 -11.037 -28.718 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -93.394 -8.685 -27.652 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -96.367 -10.559 -31.091 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -92.975 -8.211 -30.024 1.00 0.00 H new ATOM 0 HZ PHE A 114 -94.462 -9.143 -31.748 1.00 0.00 H new ATOM 1408 N SER A 115 -95.887 -12.972 -24.188 1.00 0.00 N ATOM 1409 CA SER A 115 -96.083 -13.193 -22.767 1.00 0.00 C ATOM 1410 C SER A 115 -94.758 -13.540 -22.079 1.00 0.00 C ATOM 1411 O SER A 115 -94.503 -13.113 -20.950 1.00 0.00 O ATOM 1412 CB SER A 115 -97.109 -14.309 -22.551 1.00 0.00 C ATOM 1413 OG SER A 115 -97.477 -14.422 -21.186 1.00 0.00 O ATOM 0 H SER A 115 -96.066 -13.789 -24.772 1.00 0.00 H new ATOM 0 HA SER A 115 -96.461 -12.273 -22.321 1.00 0.00 H new ATOM 0 HB2 SER A 115 -97.996 -14.110 -23.152 1.00 0.00 H new ATOM 0 HB3 SER A 115 -96.695 -15.256 -22.897 1.00 0.00 H new ATOM 0 HG SER A 115 -98.134 -15.142 -21.083 1.00 0.00 H new ATOM 1419 N ASN A 116 -93.912 -14.304 -22.765 1.00 0.00 N ATOM 1420 CA ASN A 116 -92.641 -14.735 -22.196 1.00 0.00 C ATOM 1421 C ASN A 116 -91.616 -15.012 -23.291 1.00 0.00 C ATOM 1422 O ASN A 116 -91.970 -15.325 -24.430 1.00 0.00 O ATOM 1423 CB ASN A 116 -92.835 -15.981 -21.319 1.00 0.00 C ATOM 1424 CG ASN A 116 -93.397 -17.171 -22.078 1.00 0.00 C ATOM 1425 OD1 ASN A 116 -94.612 -17.306 -22.234 1.00 0.00 O ATOM 1426 ND2 ASN A 116 -92.527 -18.058 -22.535 1.00 0.00 N ATOM 0 H ASN A 116 -94.084 -14.636 -23.714 1.00 0.00 H new ATOM 0 HA ASN A 116 -92.262 -13.925 -21.572 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -91.877 -16.259 -20.879 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -93.505 -15.736 -20.495 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -92.856 -18.885 -23.034 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -91.528 -17.915 -22.388 1.00 0.00 H new ATOM 1433 N CYS A 117 -90.344 -14.895 -22.934 1.00 0.00 N ATOM 1434 CA CYS A 117 -89.249 -15.092 -23.876 1.00 0.00 C ATOM 1435 C CYS A 117 -88.137 -15.910 -23.219 1.00 0.00 C ATOM 1436 O CYS A 117 -88.354 -16.553 -22.191 1.00 0.00 O ATOM 1437 CB CYS A 117 -88.690 -13.740 -24.332 1.00 0.00 C ATOM 1438 SG CYS A 117 -89.938 -12.511 -24.812 1.00 0.00 S ATOM 0 H CYS A 117 -90.042 -14.662 -21.988 1.00 0.00 H new ATOM 0 HA CYS A 117 -89.629 -15.630 -24.744 1.00 0.00 H new ATOM 0 HB2 CYS A 117 -88.085 -13.324 -23.526 1.00 0.00 H new ATOM 0 HB3 CYS A 117 -88.023 -13.907 -25.178 1.00 0.00 H new ATOM 1443 N SER A 118 -86.956 -15.906 -23.825 1.00 0.00 N ATOM 1444 CA SER A 118 -85.795 -16.566 -23.249 1.00 0.00 C ATOM 1445 C SER A 118 -84.524 -15.771 -23.544 1.00 0.00 C ATOM 1446 O SER A 118 -84.520 -14.889 -24.406 1.00 0.00 O ATOM 1447 CB SER A 118 -85.677 -17.988 -23.796 1.00 0.00 C ATOM 1448 OG SER A 118 -86.843 -18.740 -23.498 1.00 0.00 O ATOM 0 H SER A 118 -86.779 -15.450 -24.720 1.00 0.00 H new ATOM 0 HA SER A 118 -85.922 -16.616 -22.168 1.00 0.00 H new ATOM 0 HB2 SER A 118 -85.525 -17.956 -24.875 1.00 0.00 H new ATOM 0 HB3 SER A 118 -84.803 -18.477 -23.365 1.00 0.00 H new ATOM 0 HG SER A 118 -86.748 -19.647 -23.858 1.00 0.00 H new ATOM 1454 N HIS A 119 -83.461 -16.077 -22.805 1.00 0.00 N ATOM 1455 CA HIS A 119 -82.171 -15.413 -22.986 1.00 0.00 C ATOM 1456 C HIS A 119 -81.683 -15.504 -24.435 1.00 0.00 C ATOM 1457 O HIS A 119 -81.734 -16.564 -25.056 1.00 0.00 O ATOM 1458 CB HIS A 119 -81.108 -15.982 -22.025 1.00 0.00 C ATOM 1459 CG HIS A 119 -81.036 -17.486 -21.957 1.00 0.00 C ATOM 1460 ND1 HIS A 119 -81.089 -18.309 -23.062 1.00 0.00 N ATOM 1461 CD2 HIS A 119 -80.904 -18.310 -20.888 1.00 0.00 C ATOM 1462 CE1 HIS A 119 -80.993 -19.569 -22.678 1.00 0.00 C ATOM 1463 NE2 HIS A 119 -80.879 -19.595 -21.365 1.00 0.00 N ATOM 0 H HIS A 119 -83.467 -16.785 -22.071 1.00 0.00 H new ATOM 0 HA HIS A 119 -82.321 -14.360 -22.749 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -80.131 -15.602 -22.324 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -81.306 -15.599 -21.024 1.00 0.00 H new ATOM 0 HD1 HIS A 119 -81.187 -17.993 -24.027 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -80.832 -18.010 -19.853 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -81.006 -20.431 -23.329 1.00 0.00 H new ATOM 1472 N SER A 120 -81.183 -14.386 -24.946 1.00 0.00 N ATOM 1473 CA SER A 120 -80.762 -14.272 -26.342 1.00 0.00 C ATOM 1474 C SER A 120 -79.394 -14.911 -26.590 1.00 0.00 C ATOM 1475 O SER A 120 -78.665 -14.515 -27.497 1.00 0.00 O ATOM 1476 CB SER A 120 -80.731 -12.794 -26.720 1.00 0.00 C ATOM 1477 OG SER A 120 -80.259 -12.016 -25.631 1.00 0.00 O ATOM 0 H SER A 120 -81.057 -13.530 -24.406 1.00 0.00 H new ATOM 0 HA SER A 120 -81.477 -14.812 -26.963 1.00 0.00 H new ATOM 0 HB2 SER A 120 -80.087 -12.647 -27.587 1.00 0.00 H new ATOM 0 HB3 SER A 120 -81.730 -12.464 -27.006 1.00 0.00 H new ATOM 0 HG SER A 120 -80.927 -11.337 -25.401 1.00 0.00 H new ATOM 1483 N ARG A 121 -79.065 -15.919 -25.798 1.00 0.00 N ATOM 1484 CA ARG A 121 -77.790 -16.610 -25.924 1.00 0.00 C ATOM 1485 C ARG A 121 -77.948 -17.864 -26.779 1.00 0.00 C ATOM 1486 O ARG A 121 -77.005 -18.634 -26.963 1.00 0.00 O ATOM 1487 CB ARG A 121 -77.242 -16.955 -24.539 1.00 0.00 C ATOM 1488 CG ARG A 121 -76.972 -15.724 -23.690 1.00 0.00 C ATOM 1489 CD ARG A 121 -76.585 -16.090 -22.268 1.00 0.00 C ATOM 1490 NE ARG A 121 -75.321 -16.816 -22.203 1.00 0.00 N ATOM 1491 CZ ARG A 121 -74.870 -17.411 -21.103 1.00 0.00 C ATOM 1492 NH1 ARG A 121 -75.594 -17.386 -19.988 1.00 0.00 N ATOM 1493 NH2 ARG A 121 -73.700 -18.035 -21.121 1.00 0.00 N ATOM 0 H ARG A 121 -79.666 -16.279 -25.057 1.00 0.00 H new ATOM 0 HA ARG A 121 -77.077 -15.952 -26.420 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -77.953 -17.599 -24.022 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -76.319 -17.524 -24.650 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -76.173 -15.138 -24.144 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -77.860 -15.093 -23.673 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -76.510 -15.182 -21.670 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -77.373 -16.699 -21.825 1.00 0.00 H new ATOM 0 HE ARG A 121 -74.752 -16.870 -23.048 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -76.496 -16.910 -19.976 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -75.247 -17.843 -19.144 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -73.147 -18.058 -21.978 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -73.353 -18.492 -20.278 1.00 0.00 H new ATOM 1550 N CYS A 125 -81.387 -16.743 -34.150 1.00 0.00 N ATOM 1551 CA CYS A 125 -81.552 -15.482 -34.846 1.00 0.00 C ATOM 1552 C CYS A 125 -80.209 -14.808 -35.042 1.00 0.00 C ATOM 1553 O CYS A 125 -79.590 -14.321 -34.095 1.00 0.00 O ATOM 1554 CB CYS A 125 -82.562 -14.562 -34.142 1.00 0.00 C ATOM 1555 SG CYS A 125 -82.747 -14.852 -32.369 1.00 0.00 S ATOM 0 HA CYS A 125 -81.969 -15.693 -35.831 1.00 0.00 H new ATOM 0 HB2 CYS A 125 -82.257 -13.527 -34.296 1.00 0.00 H new ATOM 0 HB3 CYS A 125 -83.535 -14.682 -34.619 1.00 0.00 H new ATOM 1560 N HIS A 126 -79.748 -14.839 -36.289 1.00 0.00 N ATOM 1561 CA HIS A 126 -78.465 -14.254 -36.657 1.00 0.00 C ATOM 1562 C HIS A 126 -78.477 -12.775 -36.323 1.00 0.00 C ATOM 1563 O HIS A 126 -77.747 -12.310 -35.449 1.00 0.00 O ATOM 1564 CB HIS A 126 -78.190 -14.433 -38.157 1.00 0.00 C ATOM 1565 CG HIS A 126 -78.245 -15.853 -38.652 1.00 0.00 C ATOM 1566 ND1 HIS A 126 -78.382 -16.946 -37.824 1.00 0.00 N ATOM 1567 CD2 HIS A 126 -78.200 -16.349 -39.912 1.00 0.00 C ATOM 1568 CE1 HIS A 126 -78.416 -18.046 -38.550 1.00 0.00 C ATOM 1569 NE2 HIS A 126 -78.306 -17.716 -39.822 1.00 0.00 N ATOM 0 H HIS A 126 -80.250 -15.267 -37.067 1.00 0.00 H new ATOM 0 HA HIS A 126 -77.679 -14.761 -36.098 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -78.915 -13.842 -38.716 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -77.205 -14.025 -38.381 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -78.099 -15.775 -40.821 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -78.517 -19.051 -38.167 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -78.301 -18.367 -40.608 1.00 0.00 H new ATOM 1578 N SER A 127 -79.334 -12.054 -37.029 1.00 0.00 N ATOM 1579 CA SER A 127 -79.552 -10.644 -36.783 1.00 0.00 C ATOM 1580 C SER A 127 -80.767 -10.174 -37.566 1.00 0.00 C ATOM 1581 O SER A 127 -80.760 -9.093 -38.159 1.00 0.00 O ATOM 1582 CB SER A 127 -78.316 -9.833 -37.175 1.00 0.00 C ATOM 1583 OG SER A 127 -77.958 -10.056 -38.530 1.00 0.00 O ATOM 0 H SER A 127 -79.897 -12.434 -37.789 1.00 0.00 H new ATOM 0 HA SER A 127 -79.732 -10.492 -35.719 1.00 0.00 H new ATOM 0 HB2 SER A 127 -78.511 -8.772 -37.019 1.00 0.00 H new ATOM 0 HB3 SER A 127 -77.482 -10.103 -36.528 1.00 0.00 H new ATOM 0 HG SER A 127 -77.598 -9.229 -38.914 1.00 0.00 H new ATOM 1589 N LEU A 128 -81.815 -10.998 -37.574 1.00 0.00 N ATOM 1590 CA LEU A 128 -83.037 -10.638 -38.266 1.00 0.00 C ATOM 1591 C LEU A 128 -83.614 -9.374 -37.656 1.00 0.00 C ATOM 1592 O LEU A 128 -83.698 -9.239 -36.435 1.00 0.00 O ATOM 1593 CB LEU A 128 -84.052 -11.782 -38.207 1.00 0.00 C ATOM 1594 CG LEU A 128 -84.294 -12.512 -39.535 1.00 0.00 C ATOM 1595 CD1 LEU A 128 -85.049 -11.620 -40.504 1.00 0.00 C ATOM 1596 CD2 LEU A 128 -82.976 -12.958 -40.152 1.00 0.00 C ATOM 0 H LEU A 128 -81.836 -11.907 -37.113 1.00 0.00 H new ATOM 0 HA LEU A 128 -82.808 -10.452 -39.315 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -83.714 -12.509 -37.468 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -85.003 -11.385 -37.851 1.00 0.00 H new ATOM 0 HG LEU A 128 -84.898 -13.396 -39.330 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -85.211 -12.155 -41.440 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -86.011 -11.345 -40.072 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -84.467 -10.719 -40.697 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -83.171 -13.473 -41.093 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -82.348 -12.087 -40.339 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -82.464 -13.634 -39.467 1.00 0.00 H new ATOM 1608 N GLY A 129 -83.987 -8.448 -38.509 1.00 0.00 N ATOM 1609 CA GLY A 129 -84.481 -7.184 -38.049 1.00 0.00 C ATOM 1610 C GLY A 129 -85.837 -6.891 -38.625 1.00 0.00 C ATOM 1611 O GLY A 129 -86.476 -7.772 -39.212 1.00 0.00 O ATOM 0 H GLY A 129 -83.955 -8.552 -39.523 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -84.538 -7.187 -36.960 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -83.785 -6.394 -38.330 1.00 0.00 H new ATOM 1615 N LEU A 130 -86.271 -5.662 -38.464 1.00 0.00 N ATOM 1616 CA LEU A 130 -87.560 -5.233 -38.955 1.00 0.00 C ATOM 1617 C LEU A 130 -87.477 -3.769 -39.370 1.00 0.00 C ATOM 1618 O LEU A 130 -86.860 -2.957 -38.686 1.00 0.00 O ATOM 1619 CB LEU A 130 -88.615 -5.441 -37.872 1.00 0.00 C ATOM 1620 CG LEU A 130 -89.246 -6.836 -37.828 1.00 0.00 C ATOM 1621 CD1 LEU A 130 -89.883 -7.097 -36.478 1.00 0.00 C ATOM 1622 CD2 LEU A 130 -90.288 -6.980 -38.925 1.00 0.00 C ATOM 0 H LEU A 130 -85.740 -4.932 -37.989 1.00 0.00 H new ATOM 0 HA LEU A 130 -87.846 -5.824 -39.825 1.00 0.00 H new ATOM 0 HB2 LEU A 130 -88.161 -5.235 -36.902 1.00 0.00 H new ATOM 0 HB3 LEU A 130 -89.408 -4.707 -38.015 1.00 0.00 H new ATOM 0 HG LEU A 130 -88.456 -7.569 -37.988 1.00 0.00 H new ATOM 0 HD11 LEU A 130 -90.325 -8.094 -36.471 1.00 0.00 H new ATOM 0 HD12 LEU A 130 -89.124 -7.031 -35.699 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -90.659 -6.355 -36.292 1.00 0.00 H new ATOM 0 HD21 LEU A 130 -90.727 -7.977 -38.881 1.00 0.00 H new ATOM 0 HD22 LEU A 130 -91.069 -6.233 -38.785 1.00 0.00 H new ATOM 0 HD23 LEU A 130 -89.816 -6.834 -39.897 1.00 0.00 H new ATOM 1634 N THR A 131 -88.073 -3.432 -40.494 1.00 0.00 N ATOM 1635 CA THR A 131 -87.978 -2.077 -41.003 1.00 0.00 C ATOM 1636 C THR A 131 -89.321 -1.591 -41.546 1.00 0.00 C ATOM 1637 O THR A 131 -89.770 -2.032 -42.602 1.00 0.00 O ATOM 1638 CB THR A 131 -86.863 -2.009 -42.056 1.00 0.00 C ATOM 1639 OG1 THR A 131 -86.690 -0.679 -42.544 1.00 0.00 O ATOM 1640 CG2 THR A 131 -87.107 -2.952 -43.222 1.00 0.00 C ATOM 0 H THR A 131 -88.624 -4.069 -41.069 1.00 0.00 H new ATOM 0 HA THR A 131 -87.720 -1.401 -40.187 1.00 0.00 H new ATOM 0 HB THR A 131 -85.951 -2.327 -41.551 1.00 0.00 H new ATOM 0 HG1 THR A 131 -85.973 -0.666 -43.212 1.00 0.00 H new ATOM 0 HG21 THR A 131 -86.290 -2.865 -43.938 1.00 0.00 H new ATOM 0 HG22 THR A 131 -87.161 -3.977 -42.856 1.00 0.00 H new ATOM 0 HG23 THR A 131 -88.046 -2.692 -43.710 1.00 0.00 H new ATOM 1648 N CYS A 132 -89.971 -0.715 -40.768 1.00 0.00 N ATOM 1649 CA CYS A 132 -91.347 -0.278 -41.026 1.00 0.00 C ATOM 1650 C CYS A 132 -91.569 0.058 -42.485 1.00 0.00 C ATOM 1651 O CYS A 132 -91.038 1.037 -43.013 1.00 0.00 O ATOM 1652 CB CYS A 132 -91.712 0.896 -40.124 1.00 0.00 C ATOM 1653 SG CYS A 132 -91.711 0.457 -38.360 1.00 0.00 S ATOM 0 H CYS A 132 -89.555 -0.289 -39.940 1.00 0.00 H new ATOM 0 HA CYS A 132 -92.010 -1.111 -40.790 1.00 0.00 H new ATOM 0 HB2 CYS A 132 -91.006 1.710 -40.291 1.00 0.00 H new ATOM 0 HB3 CYS A 132 -92.699 1.268 -40.401 1.00 0.00 H new ATOM 1658 N LEU A 133 -92.350 -0.814 -43.107 1.00 0.00 N ATOM 1659 CA LEU A 133 -92.665 -0.794 -44.519 1.00 0.00 C ATOM 1660 C LEU A 133 -91.454 -1.265 -45.322 1.00 0.00 C ATOM 1661 O LEU A 133 -91.465 -2.347 -45.912 1.00 0.00 O ATOM 1662 CB LEU A 133 -93.135 0.606 -44.976 1.00 0.00 C ATOM 1663 CG LEU A 133 -93.946 0.681 -46.285 1.00 0.00 C ATOM 1664 CD1 LEU A 133 -94.410 2.108 -46.531 1.00 0.00 C ATOM 1665 CD2 LEU A 133 -93.151 0.187 -47.486 1.00 0.00 C ATOM 0 H LEU A 133 -92.799 -1.587 -42.615 1.00 0.00 H new ATOM 0 HA LEU A 133 -93.494 -1.478 -44.700 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -93.740 1.037 -44.178 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -92.255 1.239 -45.087 1.00 0.00 H new ATOM 0 HG LEU A 133 -94.808 0.025 -46.167 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -94.982 2.150 -47.458 1.00 0.00 H new ATOM 0 HD12 LEU A 133 -95.038 2.434 -45.702 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -93.543 2.764 -46.609 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -93.765 0.260 -48.384 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -92.257 0.799 -47.607 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -92.861 -0.852 -47.328 1.00 0.00 H new ATOM 1677 N GLU A 134 -90.410 -0.453 -45.319 1.00 0.00 N ATOM 1678 CA GLU A 134 -89.177 -0.776 -46.022 1.00 0.00 C ATOM 1679 C GLU A 134 -87.991 -0.107 -45.341 1.00 0.00 C ATOM 1680 O GLU A 134 -88.166 0.768 -44.489 1.00 0.00 O ATOM 1681 CB GLU A 134 -89.245 -0.335 -47.486 1.00 0.00 C ATOM 1682 CG GLU A 134 -89.508 1.149 -47.668 1.00 0.00 C ATOM 1683 CD GLU A 134 -89.242 1.611 -49.081 1.00 0.00 C ATOM 1684 OE1 GLU A 134 -90.034 1.279 -49.983 1.00 0.00 O ATOM 1685 OE2 GLU A 134 -88.222 2.298 -49.301 1.00 0.00 O ATOM 0 H GLU A 134 -90.391 0.443 -44.833 1.00 0.00 H new ATOM 0 HA GLU A 134 -89.049 -1.858 -45.992 1.00 0.00 H new ATOM 0 HB2 GLU A 134 -88.306 -0.591 -47.977 1.00 0.00 H new ATOM 0 HB3 GLU A 134 -90.031 -0.898 -47.989 1.00 0.00 H new ATOM 0 HG2 GLU A 134 -90.543 1.367 -47.406 1.00 0.00 H new ATOM 0 HG3 GLU A 134 -88.880 1.714 -46.979 1.00 0.00 H new