USER MOD reduce.3.24.130724 H: found=0, std=0, add=488, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 488 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 NoAdj-H: A 122 HIS HE2 : A 122 HIS NE2 : A 163 ZNZN :(H bumps) USER MOD NoAdj-H: A 126 HIS HE2 : A 126 HIS NE2 : A 163 ZNZN :(H bumps) USER MOD NoAdj-H: A 150 HIS HE2 : A 150 HIS NE2 : A 162 ZNZN :(H bumps) USER MOD NoAdj-H: A 155 HIS HE2 : A 155 HIS NE2 : A 162 ZNZN :(H bumps) USER MOD Set 1.1: A 127 THR OG1 : rot 180:sc= -0.164 USER MOD Set 1.2: A 128 ASN : amide:sc= 0 X(o=-0.16,f=-0.63) USER MOD Single : A 103 SER OG : rot 180:sc= -0.656 USER MOD Single : A 110 THR OG1 : rot 47:sc= 0.295 USER MOD Single : A 116 GLN : amide:sc= -3.04! C(o=-3!,f=-4!) USER MOD Single : A 118 HIS : no HD1:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot -31:sc= 0.348 USER MOD Single : A 130 LYS NZ :NH3+ -120:sc= -0.385 (180deg=-1.48!) USER MOD Single : A 132 TYR OH : rot 180:sc= -0.38 USER MOD Single : A 138 ASN : amide:sc= -0.0792 X(o=-0.079,f=-0.0067) USER MOD Single : A 142 THR OG1 : rot 180:sc= 0 USER MOD Single : A 152 GLN : amide:sc= -2.04 K(o=-2,f=-5.6!) USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 SER OG : rot 67:sc= 0.0615 USER MOD Single : A 158 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 102 -42.183 7.135 2.468 1.00 0.00 N ATOM 2 CA ARG A 102 -41.766 5.747 2.815 1.00 0.00 C ATOM 3 C ARG A 102 -41.441 5.681 4.319 1.00 0.00 C ATOM 4 O ARG A 102 -42.305 5.383 5.124 1.00 0.00 O ATOM 5 CB ARG A 102 -40.545 5.354 1.964 1.00 0.00 C ATOM 6 CG ARG A 102 -40.056 3.946 2.350 1.00 0.00 C ATOM 7 CD ARG A 102 -40.154 3.010 1.142 1.00 0.00 C ATOM 8 NE ARG A 102 -41.581 2.869 0.737 1.00 0.00 N ATOM 9 CZ ARG A 102 -41.883 2.315 -0.406 1.00 0.00 C ATOM 10 NH1 ARG A 102 -41.288 1.214 -0.774 1.00 0.00 N ATOM 11 NH2 ARG A 102 -42.782 2.861 -1.179 1.00 0.00 N ATOM 0 HA ARG A 102 -42.571 5.043 2.603 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -40.807 5.378 0.906 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -39.743 6.078 2.110 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -39.025 3.993 2.701 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -40.656 3.556 3.173 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -39.567 3.406 0.313 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -39.737 2.034 1.390 1.00 0.00 H new ATOM 0 HE ARG A 102 -42.322 3.205 1.353 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -40.587 0.786 -0.169 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -41.524 0.781 -1.667 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -43.249 3.721 -0.890 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -43.018 2.428 -2.072 1.00 0.00 H new ATOM 25 N SER A 103 -40.217 5.958 4.710 1.00 0.00 N ATOM 26 CA SER A 103 -39.865 5.914 6.161 1.00 0.00 C ATOM 27 C SER A 103 -38.582 6.708 6.403 1.00 0.00 C ATOM 28 O SER A 103 -37.823 6.971 5.490 1.00 0.00 O ATOM 29 CB SER A 103 -39.666 4.462 6.611 1.00 0.00 C ATOM 30 OG SER A 103 -40.301 3.585 5.689 1.00 0.00 O ATOM 0 H SER A 103 -39.451 6.212 4.086 1.00 0.00 H new ATOM 0 HA SER A 103 -40.678 6.355 6.737 1.00 0.00 H new ATOM 0 HB2 SER A 103 -38.602 4.233 6.673 1.00 0.00 H new ATOM 0 HB3 SER A 103 -40.081 4.320 7.609 1.00 0.00 H new ATOM 0 HG SER A 103 -40.171 2.657 5.977 1.00 0.00 H new ATOM 36 N PHE A 104 -38.337 7.084 7.631 1.00 0.00 N ATOM 37 CA PHE A 104 -37.104 7.855 7.950 1.00 0.00 C ATOM 38 C PHE A 104 -35.980 6.872 8.279 1.00 0.00 C ATOM 39 O PHE A 104 -35.909 6.337 9.367 1.00 0.00 O ATOM 40 CB PHE A 104 -37.363 8.764 9.155 1.00 0.00 C ATOM 41 CG PHE A 104 -38.472 9.732 8.823 1.00 0.00 C ATOM 42 CD1 PHE A 104 -38.181 10.930 8.159 1.00 0.00 C ATOM 43 CD2 PHE A 104 -39.793 9.433 9.179 1.00 0.00 C ATOM 44 CE1 PHE A 104 -39.210 11.828 7.851 1.00 0.00 C ATOM 45 CE2 PHE A 104 -40.822 10.331 8.871 1.00 0.00 C ATOM 46 CZ PHE A 104 -40.530 11.528 8.207 1.00 0.00 C ATOM 0 H PHE A 104 -38.942 6.888 8.429 1.00 0.00 H new ATOM 0 HA PHE A 104 -36.820 8.470 7.096 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -37.636 8.165 10.024 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -36.456 9.309 9.415 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -37.162 11.161 7.884 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -40.018 8.509 9.691 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -38.985 12.752 7.339 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -41.841 10.100 9.146 1.00 0.00 H new ATOM 0 HZ PHE A 104 -41.324 12.221 7.969 1.00 0.00 H new ATOM 56 N VAL A 105 -35.108 6.629 7.340 1.00 0.00 N ATOM 57 CA VAL A 105 -33.983 5.673 7.581 1.00 0.00 C ATOM 58 C VAL A 105 -32.668 6.458 7.678 1.00 0.00 C ATOM 59 O VAL A 105 -32.373 7.310 6.862 1.00 0.00 O ATOM 60 CB VAL A 105 -33.942 4.599 6.448 1.00 0.00 C ATOM 61 CG1 VAL A 105 -34.340 5.212 5.100 1.00 0.00 C ATOM 62 CG2 VAL A 105 -32.543 3.966 6.315 1.00 0.00 C ATOM 0 H VAL A 105 -35.124 7.051 6.412 1.00 0.00 H new ATOM 0 HA VAL A 105 -34.133 5.144 8.522 1.00 0.00 H new ATOM 0 HB VAL A 105 -34.656 3.822 6.723 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -34.304 4.445 4.327 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -35.352 5.613 5.167 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -33.648 6.015 4.847 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -32.554 3.224 5.517 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -31.814 4.741 6.080 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -32.271 3.485 7.254 1.00 0.00 H new ATOM 72 N CYS A 106 -31.883 6.161 8.681 1.00 0.00 N ATOM 73 CA CYS A 106 -30.580 6.860 8.869 1.00 0.00 C ATOM 74 C CYS A 106 -29.689 6.611 7.646 1.00 0.00 C ATOM 75 O CYS A 106 -29.657 5.522 7.105 1.00 0.00 O ATOM 76 CB CYS A 106 -29.906 6.309 10.131 1.00 0.00 C ATOM 77 SG CYS A 106 -28.368 7.208 10.460 1.00 0.00 S ATOM 0 H CYS A 106 -32.094 5.455 9.386 1.00 0.00 H new ATOM 0 HA CYS A 106 -30.739 7.933 8.978 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -30.580 6.402 10.983 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -29.696 5.247 10.006 1.00 0.00 H new ATOM 82 N GLU A 107 -28.973 7.617 7.208 1.00 0.00 N ATOM 83 CA GLU A 107 -28.087 7.451 6.016 1.00 0.00 C ATOM 84 C GLU A 107 -26.678 7.020 6.447 1.00 0.00 C ATOM 85 O GLU A 107 -25.719 7.224 5.724 1.00 0.00 O ATOM 86 CB GLU A 107 -28.000 8.780 5.263 1.00 0.00 C ATOM 87 CG GLU A 107 -29.368 9.119 4.666 1.00 0.00 C ATOM 88 CD GLU A 107 -29.190 10.087 3.495 1.00 0.00 C ATOM 89 OE1 GLU A 107 -28.451 11.045 3.652 1.00 0.00 O ATOM 90 OE2 GLU A 107 -29.795 9.854 2.462 1.00 0.00 O ATOM 0 H GLU A 107 -28.964 8.547 7.626 1.00 0.00 H new ATOM 0 HA GLU A 107 -28.508 6.681 5.370 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -27.680 9.573 5.939 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -27.253 8.714 4.472 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -29.864 8.209 4.327 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -30.008 9.566 5.427 1.00 0.00 H new ATOM 97 N VAL A 108 -26.538 6.430 7.610 1.00 0.00 N ATOM 98 CA VAL A 108 -25.188 5.993 8.072 1.00 0.00 C ATOM 99 C VAL A 108 -25.219 4.494 8.366 1.00 0.00 C ATOM 100 O VAL A 108 -24.334 3.756 7.975 1.00 0.00 O ATOM 101 CB VAL A 108 -24.802 6.763 9.339 1.00 0.00 C ATOM 102 CG1 VAL A 108 -23.349 6.449 9.707 1.00 0.00 C ATOM 103 CG2 VAL A 108 -24.954 8.273 9.097 1.00 0.00 C ATOM 0 H VAL A 108 -27.302 6.233 8.257 1.00 0.00 H new ATOM 0 HA VAL A 108 -24.451 6.196 7.295 1.00 0.00 H new ATOM 0 HB VAL A 108 -25.458 6.461 10.156 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -23.075 6.997 10.608 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -23.242 5.379 9.886 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -22.694 6.747 8.888 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -24.678 8.816 10.001 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -24.303 8.578 8.278 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -25.989 8.498 8.840 1.00 0.00 H new ATOM 113 N CYS A 109 -26.241 4.040 9.040 1.00 0.00 N ATOM 114 CA CYS A 109 -26.355 2.582 9.353 1.00 0.00 C ATOM 115 C CYS A 109 -27.645 2.013 8.737 1.00 0.00 C ATOM 116 O CYS A 109 -28.061 0.917 9.056 1.00 0.00 O ATOM 117 CB CYS A 109 -26.346 2.345 10.877 1.00 0.00 C ATOM 118 SG CYS A 109 -27.339 3.594 11.741 1.00 0.00 S ATOM 0 H CYS A 109 -27.006 4.617 9.390 1.00 0.00 H new ATOM 0 HA CYS A 109 -25.495 2.069 8.923 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -26.737 1.351 11.095 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -25.321 2.373 11.246 1.00 0.00 H new ATOM 123 N THR A 110 -28.264 2.743 7.834 1.00 0.00 N ATOM 124 CA THR A 110 -29.511 2.256 7.155 1.00 0.00 C ATOM 125 C THR A 110 -30.540 1.701 8.158 1.00 0.00 C ATOM 126 O THR A 110 -31.110 0.645 7.945 1.00 0.00 O ATOM 127 CB THR A 110 -29.150 1.168 6.131 1.00 0.00 C ATOM 128 OG1 THR A 110 -28.154 0.309 6.666 1.00 0.00 O ATOM 129 CG2 THR A 110 -28.624 1.826 4.854 1.00 0.00 C ATOM 0 H THR A 110 -27.953 3.667 7.536 1.00 0.00 H new ATOM 0 HA THR A 110 -29.967 3.109 6.653 1.00 0.00 H new ATOM 0 HB THR A 110 -30.040 0.582 5.902 1.00 0.00 H new ATOM 0 HG1 THR A 110 -28.406 0.043 7.575 1.00 0.00 H new ATOM 0 HG21 THR A 110 -28.368 1.056 4.127 1.00 0.00 H new ATOM 0 HG22 THR A 110 -29.392 2.477 4.437 1.00 0.00 H new ATOM 0 HG23 THR A 110 -27.737 2.415 5.087 1.00 0.00 H new ATOM 137 N ARG A 111 -30.808 2.411 9.229 1.00 0.00 N ATOM 138 CA ARG A 111 -31.827 1.922 10.208 1.00 0.00 C ATOM 139 C ARG A 111 -33.197 2.493 9.823 1.00 0.00 C ATOM 140 O ARG A 111 -33.336 3.112 8.786 1.00 0.00 O ATOM 141 CB ARG A 111 -31.461 2.301 11.654 1.00 0.00 C ATOM 142 CG ARG A 111 -30.807 3.684 11.755 1.00 0.00 C ATOM 143 CD ARG A 111 -30.385 3.969 13.214 1.00 0.00 C ATOM 144 NE ARG A 111 -31.358 3.370 14.182 1.00 0.00 N ATOM 145 CZ ARG A 111 -30.936 2.901 15.326 1.00 0.00 C ATOM 146 NH1 ARG A 111 -29.877 2.138 15.368 1.00 0.00 N ATOM 147 NH2 ARG A 111 -31.574 3.190 16.427 1.00 0.00 N ATOM 0 H ARG A 111 -30.368 3.301 9.465 1.00 0.00 H new ATOM 0 HA ARG A 111 -31.857 0.833 10.169 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -32.361 2.283 12.269 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -30.782 1.552 12.061 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -29.936 3.731 11.101 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -31.504 4.450 11.414 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -29.390 3.562 13.394 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -30.323 5.045 13.375 1.00 0.00 H new ATOM 0 HE ARG A 111 -32.350 3.328 13.948 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -29.379 1.908 14.508 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -29.547 1.772 16.261 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -32.403 3.783 16.395 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -31.243 2.823 17.319 1.00 0.00 H new ATOM 161 N ALA A 112 -34.215 2.271 10.622 1.00 0.00 N ATOM 162 CA ALA A 112 -35.573 2.787 10.254 1.00 0.00 C ATOM 163 C ALA A 112 -36.178 3.620 11.390 1.00 0.00 C ATOM 164 O ALA A 112 -35.900 3.408 12.553 1.00 0.00 O ATOM 165 CB ALA A 112 -36.494 1.604 9.952 1.00 0.00 C ATOM 0 H ALA A 112 -34.166 1.760 11.504 1.00 0.00 H new ATOM 0 HA ALA A 112 -35.472 3.426 9.377 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -37.484 1.973 9.684 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -36.085 1.027 9.123 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -36.571 0.968 10.834 1.00 0.00 H new ATOM 171 N PHE A 113 -37.021 4.561 11.040 1.00 0.00 N ATOM 172 CA PHE A 113 -37.684 5.424 12.064 1.00 0.00 C ATOM 173 C PHE A 113 -39.053 5.851 11.536 1.00 0.00 C ATOM 174 O PHE A 113 -39.474 5.438 10.472 1.00 0.00 O ATOM 175 CB PHE A 113 -36.848 6.682 12.317 1.00 0.00 C ATOM 176 CG PHE A 113 -35.669 6.346 13.187 1.00 0.00 C ATOM 177 CD1 PHE A 113 -34.527 5.784 12.614 1.00 0.00 C ATOM 178 CD2 PHE A 113 -35.714 6.598 14.562 1.00 0.00 C ATOM 179 CE1 PHE A 113 -33.428 5.472 13.415 1.00 0.00 C ATOM 180 CE2 PHE A 113 -34.612 6.286 15.366 1.00 0.00 C ATOM 181 CZ PHE A 113 -33.467 5.722 14.792 1.00 0.00 C ATOM 0 H PHE A 113 -37.280 4.769 10.076 1.00 0.00 H new ATOM 0 HA PHE A 113 -37.785 4.862 12.993 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -36.505 7.098 11.370 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -37.460 7.445 12.798 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -34.494 5.591 11.552 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -36.599 7.033 15.003 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -32.545 5.036 12.972 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -34.645 6.480 16.428 1.00 0.00 H new ATOM 0 HZ PHE A 113 -32.615 5.480 15.410 1.00 0.00 H new ATOM 191 N ALA A 114 -39.739 6.691 12.265 1.00 0.00 N ATOM 192 CA ALA A 114 -41.073 7.174 11.808 1.00 0.00 C ATOM 193 C ALA A 114 -41.249 8.643 12.213 1.00 0.00 C ATOM 194 O ALA A 114 -42.356 9.134 12.330 1.00 0.00 O ATOM 195 CB ALA A 114 -42.169 6.326 12.451 1.00 0.00 C ATOM 0 H ALA A 114 -39.430 7.065 13.162 1.00 0.00 H new ATOM 0 HA ALA A 114 -41.142 7.088 10.724 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -43.145 6.679 12.117 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -42.041 5.284 12.159 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -42.105 6.410 13.536 1.00 0.00 H new ATOM 201 N ARG A 115 -40.161 9.346 12.423 1.00 0.00 N ATOM 202 CA ARG A 115 -40.247 10.783 12.816 1.00 0.00 C ATOM 203 C ARG A 115 -39.013 11.518 12.287 1.00 0.00 C ATOM 204 O ARG A 115 -37.990 10.915 12.023 1.00 0.00 O ATOM 205 CB ARG A 115 -40.288 10.896 14.343 1.00 0.00 C ATOM 206 CG ARG A 115 -41.664 10.462 14.855 1.00 0.00 C ATOM 207 CD ARG A 115 -42.730 11.442 14.359 1.00 0.00 C ATOM 208 NE ARG A 115 -43.759 11.633 15.419 1.00 0.00 N ATOM 209 CZ ARG A 115 -45.024 11.684 15.100 1.00 0.00 C ATOM 210 NH1 ARG A 115 -45.476 12.677 14.384 1.00 0.00 N ATOM 211 NH2 ARG A 115 -45.836 10.743 15.497 1.00 0.00 N ATOM 0 H ARG A 115 -39.213 8.981 12.338 1.00 0.00 H new ATOM 0 HA ARG A 115 -41.151 11.225 12.397 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -39.511 10.272 14.785 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -40.083 11.922 14.647 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -41.892 9.455 14.506 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -41.664 10.430 15.945 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -42.271 12.398 14.106 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -43.195 11.061 13.450 1.00 0.00 H new ATOM 0 HE ARG A 115 -43.475 11.724 16.394 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -44.841 13.413 14.074 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -46.464 12.717 14.134 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -45.483 9.967 16.057 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -46.824 10.783 15.248 1.00 0.00 H new ATOM 225 N GLN A 116 -39.102 12.815 12.131 1.00 0.00 N ATOM 226 CA GLN A 116 -37.936 13.594 11.618 1.00 0.00 C ATOM 227 C GLN A 116 -37.073 14.060 12.793 1.00 0.00 C ATOM 228 O GLN A 116 -35.862 14.098 12.702 1.00 0.00 O ATOM 229 CB GLN A 116 -38.442 14.814 10.841 1.00 0.00 C ATOM 230 CG GLN A 116 -37.256 15.589 10.257 1.00 0.00 C ATOM 231 CD GLN A 116 -36.762 16.619 11.277 1.00 0.00 C ATOM 232 OE1 GLN A 116 -37.530 17.113 12.078 1.00 0.00 O ATOM 233 NE2 GLN A 116 -35.503 16.963 11.281 1.00 0.00 N ATOM 0 H GLN A 116 -39.934 13.368 12.337 1.00 0.00 H new ATOM 0 HA GLN A 116 -37.339 12.963 10.959 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -39.109 14.495 10.040 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -39.021 15.461 11.500 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -36.450 14.901 10.000 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -37.554 16.089 9.335 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -34.859 16.548 10.608 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -35.163 17.647 11.957 1.00 0.00 H new ATOM 242 N GLU A 117 -37.689 14.430 13.888 1.00 0.00 N ATOM 243 CA GLU A 117 -36.906 14.908 15.067 1.00 0.00 C ATOM 244 C GLU A 117 -36.170 13.727 15.697 1.00 0.00 C ATOM 245 O GLU A 117 -35.088 13.874 16.232 1.00 0.00 O ATOM 246 CB GLU A 117 -37.849 15.529 16.104 1.00 0.00 C ATOM 247 CG GLU A 117 -38.793 16.520 15.418 1.00 0.00 C ATOM 248 CD GLU A 117 -39.069 17.700 16.354 1.00 0.00 C ATOM 249 OE1 GLU A 117 -38.198 18.545 16.481 1.00 0.00 O ATOM 250 OE2 GLU A 117 -40.144 17.738 16.926 1.00 0.00 O ATOM 0 H GLU A 117 -38.701 14.421 14.016 1.00 0.00 H new ATOM 0 HA GLU A 117 -36.188 15.660 14.740 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -38.425 14.747 16.600 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -37.271 16.037 16.876 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -38.349 16.876 14.488 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -39.728 16.025 15.155 1.00 0.00 H new ATOM 257 N HIS A 118 -36.748 12.554 15.633 1.00 0.00 N ATOM 258 CA HIS A 118 -36.079 11.355 16.219 1.00 0.00 C ATOM 259 C HIS A 118 -34.800 11.076 15.430 1.00 0.00 C ATOM 260 O HIS A 118 -33.706 11.121 15.961 1.00 0.00 O ATOM 261 CB HIS A 118 -37.015 10.148 16.124 1.00 0.00 C ATOM 262 CG HIS A 118 -37.987 10.177 17.271 1.00 0.00 C ATOM 263 ND1 HIS A 118 -39.011 11.108 17.349 1.00 0.00 N ATOM 264 CD2 HIS A 118 -38.104 9.396 18.394 1.00 0.00 C ATOM 265 CE1 HIS A 118 -39.693 10.866 18.483 1.00 0.00 C ATOM 266 NE2 HIS A 118 -39.183 9.833 19.159 1.00 0.00 N ATOM 0 H HIS A 118 -37.654 12.376 15.200 1.00 0.00 H new ATOM 0 HA HIS A 118 -35.838 11.536 17.267 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -37.553 10.165 15.176 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -36.438 9.224 16.146 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -37.458 8.568 18.646 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -40.550 11.438 18.808 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -39.512 9.448 20.044 1.00 0.00 H new ATOM 274 N LEU A 119 -34.936 10.804 14.158 1.00 0.00 N ATOM 275 CA LEU A 119 -33.746 10.538 13.305 1.00 0.00 C ATOM 276 C LEU A 119 -32.850 11.785 13.259 1.00 0.00 C ATOM 277 O LEU A 119 -31.686 11.707 12.925 1.00 0.00 O ATOM 278 CB LEU A 119 -34.226 10.212 11.886 1.00 0.00 C ATOM 279 CG LEU A 119 -33.353 9.122 11.258 1.00 0.00 C ATOM 280 CD1 LEU A 119 -33.803 8.907 9.817 1.00 0.00 C ATOM 281 CD2 LEU A 119 -31.884 9.551 11.263 1.00 0.00 C ATOM 0 H LEU A 119 -35.831 10.755 13.672 1.00 0.00 H new ATOM 0 HA LEU A 119 -33.178 9.703 13.715 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -35.264 9.882 11.915 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -34.194 11.111 11.270 1.00 0.00 H new ATOM 0 HG LEU A 119 -33.455 8.202 11.833 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -33.190 8.133 9.356 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -34.848 8.598 9.805 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -33.693 9.837 9.259 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -31.274 8.767 10.814 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -31.772 10.471 10.690 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -31.558 9.721 12.289 1.00 0.00 H new ATOM 293 N LYS A 120 -33.392 12.934 13.582 1.00 0.00 N ATOM 294 CA LYS A 120 -32.592 14.187 13.554 1.00 0.00 C ATOM 295 C LYS A 120 -31.513 14.120 14.645 1.00 0.00 C ATOM 296 O LYS A 120 -30.334 14.235 14.369 1.00 0.00 O ATOM 297 CB LYS A 120 -33.558 15.370 13.784 1.00 0.00 C ATOM 298 CG LYS A 120 -32.805 16.667 14.116 1.00 0.00 C ATOM 299 CD LYS A 120 -31.767 16.977 13.032 1.00 0.00 C ATOM 300 CE LYS A 120 -32.479 17.351 11.732 1.00 0.00 C ATOM 301 NZ LYS A 120 -31.486 17.883 10.756 1.00 0.00 N ATOM 0 H LYS A 120 -34.364 13.053 13.866 1.00 0.00 H new ATOM 0 HA LYS A 120 -32.089 14.318 12.596 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -34.166 15.521 12.892 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -34.241 15.128 14.598 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -33.511 17.493 14.199 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -32.312 16.571 15.083 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -31.123 17.795 13.354 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -31.125 16.111 12.871 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -32.982 16.478 11.316 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -33.248 18.098 11.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -31.970 18.137 9.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -31.026 18.727 11.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -30.768 17.157 10.561 1.00 0.00 H new ATOM 315 N ARG A 121 -31.913 13.936 15.874 1.00 0.00 N ATOM 316 CA ARG A 121 -30.924 13.860 16.988 1.00 0.00 C ATOM 317 C ARG A 121 -30.037 12.622 16.809 1.00 0.00 C ATOM 318 O ARG A 121 -28.894 12.605 17.224 1.00 0.00 O ATOM 319 CB ARG A 121 -31.673 13.769 18.322 1.00 0.00 C ATOM 320 CG ARG A 121 -30.672 13.770 19.490 1.00 0.00 C ATOM 321 CD ARG A 121 -30.899 12.541 20.380 1.00 0.00 C ATOM 322 NE ARG A 121 -31.510 12.968 21.669 1.00 0.00 N ATOM 323 CZ ARG A 121 -32.565 12.351 22.126 1.00 0.00 C ATOM 324 NH1 ARG A 121 -33.723 12.528 21.551 1.00 0.00 N ATOM 325 NH2 ARG A 121 -32.462 11.560 23.158 1.00 0.00 N ATOM 0 H ARG A 121 -32.888 13.834 16.156 1.00 0.00 H new ATOM 0 HA ARG A 121 -30.297 14.752 16.981 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -32.360 14.610 18.421 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -32.275 12.861 18.349 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -29.652 13.767 19.105 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -30.788 14.681 20.078 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -31.551 11.828 19.875 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -29.953 12.032 20.565 1.00 0.00 H new ATOM 0 HE ARG A 121 -31.104 13.742 22.194 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -33.803 13.148 20.745 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -34.548 12.046 21.907 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -31.557 11.424 23.608 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -33.287 11.078 23.515 1.00 0.00 H new ATOM 339 N HIS A 122 -30.559 11.588 16.197 1.00 0.00 N ATOM 340 CA HIS A 122 -29.753 10.347 15.991 1.00 0.00 C ATOM 341 C HIS A 122 -28.701 10.600 14.897 1.00 0.00 C ATOM 342 O HIS A 122 -27.665 9.962 14.869 1.00 0.00 O ATOM 343 CB HIS A 122 -30.697 9.199 15.579 1.00 0.00 C ATOM 344 CG HIS A 122 -29.909 7.979 15.165 1.00 0.00 C ATOM 345 ND1 HIS A 122 -29.801 6.857 15.971 1.00 0.00 N ATOM 346 CD2 HIS A 122 -29.183 7.697 14.033 1.00 0.00 C ATOM 347 CE1 HIS A 122 -29.035 5.962 15.320 1.00 0.00 C ATOM 348 NE2 HIS A 122 -28.632 6.424 14.134 1.00 0.00 N ATOM 0 H HIS A 122 -31.510 11.551 15.831 1.00 0.00 H new ATOM 0 HA HIS A 122 -29.240 10.072 16.913 1.00 0.00 H new ATOM 0 HB2 HIS A 122 -31.355 8.947 16.411 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -31.333 9.523 14.756 1.00 0.00 H new ATOM 0 HD1 HIS A 122 -30.225 6.732 16.890 1.00 0.00 H new ATOM 0 HD2 HIS A 122 -29.059 8.363 13.192 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -28.778 4.988 15.710 1.00 0.00 H new ATOM 356 N TYR A 123 -28.961 11.517 13.999 1.00 0.00 N ATOM 357 CA TYR A 123 -27.983 11.803 12.911 1.00 0.00 C ATOM 358 C TYR A 123 -26.816 12.622 13.472 1.00 0.00 C ATOM 359 O TYR A 123 -25.708 12.553 12.976 1.00 0.00 O ATOM 360 CB TYR A 123 -28.675 12.586 11.792 1.00 0.00 C ATOM 361 CG TYR A 123 -27.732 12.732 10.622 1.00 0.00 C ATOM 362 CD1 TYR A 123 -27.471 11.636 9.791 1.00 0.00 C ATOM 363 CD2 TYR A 123 -27.118 13.965 10.367 1.00 0.00 C ATOM 364 CE1 TYR A 123 -26.596 11.771 8.706 1.00 0.00 C ATOM 365 CE2 TYR A 123 -26.244 14.100 9.282 1.00 0.00 C ATOM 366 CZ TYR A 123 -25.982 13.004 8.452 1.00 0.00 C ATOM 367 OH TYR A 123 -25.120 13.137 7.383 1.00 0.00 O ATOM 0 H TYR A 123 -29.811 12.080 13.974 1.00 0.00 H new ATOM 0 HA TYR A 123 -27.602 10.864 12.509 1.00 0.00 H new ATOM 0 HB2 TYR A 123 -29.582 12.069 11.479 1.00 0.00 H new ATOM 0 HB3 TYR A 123 -28.977 13.569 12.154 1.00 0.00 H new ATOM 0 HD1 TYR A 123 -27.945 10.686 9.987 1.00 0.00 H new ATOM 0 HD2 TYR A 123 -27.319 14.811 11.007 1.00 0.00 H new ATOM 0 HE1 TYR A 123 -26.395 10.925 8.066 1.00 0.00 H new ATOM 0 HE2 TYR A 123 -25.771 15.051 9.085 1.00 0.00 H new ATOM 0 HH TYR A 123 -24.782 14.056 7.348 1.00 0.00 H new ATOM 377 N ARG A 124 -27.058 13.391 14.506 1.00 0.00 N ATOM 378 CA ARG A 124 -25.964 14.210 15.107 1.00 0.00 C ATOM 379 C ARG A 124 -24.850 13.289 15.618 1.00 0.00 C ATOM 380 O ARG A 124 -23.706 13.689 15.725 1.00 0.00 O ATOM 381 CB ARG A 124 -26.521 15.032 16.272 1.00 0.00 C ATOM 382 CG ARG A 124 -25.803 16.381 16.335 1.00 0.00 C ATOM 383 CD ARG A 124 -26.145 17.083 17.650 1.00 0.00 C ATOM 384 NE ARG A 124 -25.093 16.783 18.661 1.00 0.00 N ATOM 385 CZ ARG A 124 -25.289 17.081 19.916 1.00 0.00 C ATOM 386 NH1 ARG A 124 -25.976 16.276 20.678 1.00 0.00 N ATOM 387 NH2 ARG A 124 -24.799 18.186 20.408 1.00 0.00 N ATOM 0 H ARG A 124 -27.967 13.486 14.959 1.00 0.00 H new ATOM 0 HA ARG A 124 -25.559 14.881 14.349 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -27.593 15.184 16.144 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -26.386 14.492 17.209 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -24.726 16.235 16.259 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -26.101 17.003 15.491 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -26.217 18.159 17.492 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -27.118 16.748 18.011 1.00 0.00 H new ATOM 0 HE ARG A 124 -24.219 16.344 18.372 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -26.360 15.413 20.293 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -26.129 16.509 21.659 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -24.263 18.816 19.811 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -24.952 18.419 21.389 1.00 0.00 H new ATOM 401 N SER A 125 -25.176 12.057 15.932 1.00 0.00 N ATOM 402 CA SER A 125 -24.141 11.105 16.432 1.00 0.00 C ATOM 403 C SER A 125 -23.648 10.233 15.274 1.00 0.00 C ATOM 404 O SER A 125 -23.321 9.075 15.454 1.00 0.00 O ATOM 405 CB SER A 125 -24.748 10.217 17.518 1.00 0.00 C ATOM 406 OG SER A 125 -25.735 9.374 16.938 1.00 0.00 O ATOM 0 H SER A 125 -26.118 11.672 15.862 1.00 0.00 H new ATOM 0 HA SER A 125 -23.303 11.664 16.847 1.00 0.00 H new ATOM 0 HB2 SER A 125 -23.970 9.615 17.989 1.00 0.00 H new ATOM 0 HB3 SER A 125 -25.193 10.832 18.300 1.00 0.00 H new ATOM 0 HG SER A 125 -26.159 9.836 16.185 1.00 0.00 H new ATOM 412 N HIS A 126 -23.593 10.783 14.087 1.00 0.00 N ATOM 413 CA HIS A 126 -23.121 9.998 12.909 1.00 0.00 C ATOM 414 C HIS A 126 -22.146 10.838 12.076 1.00 0.00 C ATOM 415 O HIS A 126 -21.948 10.581 10.903 1.00 0.00 O ATOM 416 CB HIS A 126 -24.318 9.625 12.036 1.00 0.00 C ATOM 417 CG HIS A 126 -24.878 8.301 12.474 1.00 0.00 C ATOM 418 ND1 HIS A 126 -24.070 7.215 12.770 1.00 0.00 N ATOM 419 CD2 HIS A 126 -26.168 7.870 12.659 1.00 0.00 C ATOM 420 CE1 HIS A 126 -24.875 6.192 13.113 1.00 0.00 C ATOM 421 NE2 HIS A 126 -26.165 6.538 13.062 1.00 0.00 N ATOM 0 H HIS A 126 -23.856 11.747 13.884 1.00 0.00 H new ATOM 0 HA HIS A 126 -22.618 9.098 13.262 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -25.085 10.396 12.107 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -24.014 9.573 10.990 1.00 0.00 H new ATOM 0 HD1 HIS A 126 -23.051 7.194 12.734 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -27.052 8.473 12.514 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -24.522 5.211 13.395 1.00 0.00 H new ATOM 429 N THR A 127 -21.542 11.839 12.667 1.00 0.00 N ATOM 430 CA THR A 127 -20.588 12.697 11.903 1.00 0.00 C ATOM 431 C THR A 127 -19.376 13.027 12.777 1.00 0.00 C ATOM 432 O THR A 127 -18.247 12.972 12.328 1.00 0.00 O ATOM 433 CB THR A 127 -21.285 13.996 11.490 1.00 0.00 C ATOM 434 OG1 THR A 127 -21.551 14.776 12.647 1.00 0.00 O ATOM 435 CG2 THR A 127 -22.599 13.672 10.778 1.00 0.00 C ATOM 0 H THR A 127 -21.669 12.098 13.645 1.00 0.00 H new ATOM 0 HA THR A 127 -20.257 12.161 11.013 1.00 0.00 H new ATOM 0 HB THR A 127 -20.639 14.555 10.814 1.00 0.00 H new ATOM 0 HG1 THR A 127 -21.996 15.609 12.385 1.00 0.00 H new ATOM 0 HG21 THR A 127 -23.092 14.599 10.485 1.00 0.00 H new ATOM 0 HG22 THR A 127 -22.394 13.074 9.890 1.00 0.00 H new ATOM 0 HG23 THR A 127 -23.249 13.112 11.450 1.00 0.00 H new ATOM 443 N ASN A 128 -19.602 13.369 14.022 1.00 0.00 N ATOM 444 CA ASN A 128 -18.466 13.703 14.930 1.00 0.00 C ATOM 445 C ASN A 128 -18.014 12.451 15.694 1.00 0.00 C ATOM 446 O ASN A 128 -17.368 12.549 16.721 1.00 0.00 O ATOM 447 CB ASN A 128 -18.913 14.771 15.931 1.00 0.00 C ATOM 448 CG ASN A 128 -19.340 16.033 15.179 1.00 0.00 C ATOM 449 OD1 ASN A 128 -20.494 16.185 14.829 1.00 0.00 O ATOM 450 ND2 ASN A 128 -18.453 16.952 14.915 1.00 0.00 N ATOM 0 H ASN A 128 -20.527 13.431 14.447 1.00 0.00 H new ATOM 0 HA ASN A 128 -17.634 14.078 14.334 1.00 0.00 H new ATOM 0 HB2 ASN A 128 -19.741 14.396 16.532 1.00 0.00 H new ATOM 0 HB3 ASN A 128 -18.099 15.003 16.618 1.00 0.00 H new ATOM 0 HD21 ASN A 128 -18.728 17.798 14.415 1.00 0.00 H new ATOM 0 HD22 ASN A 128 -17.484 16.825 15.208 1.00 0.00 H new ATOM 457 N GLU A 129 -18.343 11.278 15.204 1.00 0.00 N ATOM 458 CA GLU A 129 -17.927 10.027 15.905 1.00 0.00 C ATOM 459 C GLU A 129 -16.511 9.651 15.468 1.00 0.00 C ATOM 460 O GLU A 129 -15.948 10.253 14.574 1.00 0.00 O ATOM 461 CB GLU A 129 -18.893 8.897 15.540 1.00 0.00 C ATOM 462 CG GLU A 129 -19.992 8.795 16.603 1.00 0.00 C ATOM 463 CD GLU A 129 -20.833 10.075 16.604 1.00 0.00 C ATOM 464 OE1 GLU A 129 -20.959 10.683 15.553 1.00 0.00 O ATOM 465 OE2 GLU A 129 -21.338 10.426 17.658 1.00 0.00 O ATOM 0 H GLU A 129 -18.881 11.136 14.349 1.00 0.00 H new ATOM 0 HA GLU A 129 -17.945 10.186 16.983 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -19.336 9.085 14.562 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -18.353 7.953 15.469 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -20.627 7.932 16.401 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -19.547 8.641 17.586 1.00 0.00 H new ATOM 472 N LYS A 130 -15.934 8.655 16.093 1.00 0.00 N ATOM 473 CA LYS A 130 -14.552 8.224 15.726 1.00 0.00 C ATOM 474 C LYS A 130 -14.522 7.791 14.243 1.00 0.00 C ATOM 475 O LYS A 130 -15.120 6.790 13.899 1.00 0.00 O ATOM 476 CB LYS A 130 -14.151 7.040 16.612 1.00 0.00 C ATOM 477 CG LYS A 130 -13.672 7.556 17.978 1.00 0.00 C ATOM 478 CD LYS A 130 -14.350 6.765 19.102 1.00 0.00 C ATOM 479 CE LYS A 130 -15.811 7.209 19.241 1.00 0.00 C ATOM 480 NZ LYS A 130 -16.703 6.191 18.614 1.00 0.00 N ATOM 0 H LYS A 130 -16.365 8.119 16.846 1.00 0.00 H new ATOM 0 HA LYS A 130 -13.856 9.050 15.873 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -14.999 6.368 16.743 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -13.359 6.465 16.131 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -12.589 7.457 18.054 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -13.903 8.617 18.077 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -14.304 5.697 18.887 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -13.821 6.924 20.042 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -16.066 7.332 20.294 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -15.955 8.178 18.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -17.248 6.633 17.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -16.127 5.416 18.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -17.356 5.814 19.330 1.00 0.00 H new ATOM 494 N PRO A 131 -13.841 8.548 13.386 1.00 0.00 N ATOM 495 CA PRO A 131 -13.765 8.221 11.948 1.00 0.00 C ATOM 496 C PRO A 131 -12.684 7.165 11.656 1.00 0.00 C ATOM 497 O PRO A 131 -12.347 6.930 10.509 1.00 0.00 O ATOM 498 CB PRO A 131 -13.381 9.551 11.297 1.00 0.00 C ATOM 499 CG PRO A 131 -12.698 10.399 12.396 1.00 0.00 C ATOM 500 CD PRO A 131 -13.104 9.785 13.748 1.00 0.00 C ATOM 0 HA PRO A 131 -14.700 7.801 11.576 1.00 0.00 H new ATOM 0 HB2 PRO A 131 -12.706 9.390 10.456 1.00 0.00 H new ATOM 0 HB3 PRO A 131 -14.262 10.060 10.906 1.00 0.00 H new ATOM 0 HG2 PRO A 131 -11.615 10.387 12.276 1.00 0.00 H new ATOM 0 HG3 PRO A 131 -13.015 11.440 12.334 1.00 0.00 H new ATOM 0 HD2 PRO A 131 -12.231 9.562 14.361 1.00 0.00 H new ATOM 0 HD3 PRO A 131 -13.731 10.467 14.322 1.00 0.00 H new ATOM 508 N TYR A 132 -12.133 6.530 12.666 1.00 0.00 N ATOM 509 CA TYR A 132 -11.075 5.504 12.415 1.00 0.00 C ATOM 510 C TYR A 132 -11.457 4.172 13.096 1.00 0.00 C ATOM 511 O TYR A 132 -10.853 3.797 14.084 1.00 0.00 O ATOM 512 CB TYR A 132 -9.742 6.010 12.973 1.00 0.00 C ATOM 513 CG TYR A 132 -9.340 7.272 12.249 1.00 0.00 C ATOM 514 CD1 TYR A 132 -8.821 7.198 10.951 1.00 0.00 C ATOM 515 CD2 TYR A 132 -9.487 8.515 12.874 1.00 0.00 C ATOM 516 CE1 TYR A 132 -8.448 8.368 10.278 1.00 0.00 C ATOM 517 CE2 TYR A 132 -9.116 9.686 12.202 1.00 0.00 C ATOM 518 CZ TYR A 132 -8.595 9.612 10.904 1.00 0.00 C ATOM 519 OH TYR A 132 -8.228 10.766 10.241 1.00 0.00 O ATOM 0 H TYR A 132 -12.370 6.679 13.647 1.00 0.00 H new ATOM 0 HA TYR A 132 -10.982 5.334 11.342 1.00 0.00 H new ATOM 0 HB2 TYR A 132 -9.833 6.204 14.042 1.00 0.00 H new ATOM 0 HB3 TYR A 132 -8.972 5.248 12.852 1.00 0.00 H new ATOM 0 HD1 TYR A 132 -8.708 6.238 10.469 1.00 0.00 H new ATOM 0 HD2 TYR A 132 -9.887 8.571 13.876 1.00 0.00 H new ATOM 0 HE1 TYR A 132 -8.047 8.311 9.277 1.00 0.00 H new ATOM 0 HE2 TYR A 132 -9.231 10.645 12.684 1.00 0.00 H new ATOM 0 HH TYR A 132 -8.396 11.541 10.816 1.00 0.00 H new ATOM 529 N PRO A 133 -12.445 3.480 12.553 1.00 0.00 N ATOM 530 CA PRO A 133 -12.889 2.189 13.112 1.00 0.00 C ATOM 531 C PRO A 133 -11.938 1.069 12.679 1.00 0.00 C ATOM 532 O PRO A 133 -11.812 0.771 11.507 1.00 0.00 O ATOM 533 CB PRO A 133 -14.276 1.985 12.499 1.00 0.00 C ATOM 534 CG PRO A 133 -14.317 2.842 11.213 1.00 0.00 C ATOM 535 CD PRO A 133 -13.212 3.905 11.354 1.00 0.00 C ATOM 0 HA PRO A 133 -12.905 2.178 14.202 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -14.448 0.933 12.270 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -15.057 2.292 13.195 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -14.149 2.224 10.331 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -15.293 3.312 11.092 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -12.578 3.940 10.468 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -13.633 4.902 11.484 1.00 0.00 H new ATOM 543 N CYS A 134 -11.271 0.447 13.620 1.00 0.00 N ATOM 544 CA CYS A 134 -10.328 -0.657 13.270 1.00 0.00 C ATOM 545 C CYS A 134 -11.114 -1.819 12.657 1.00 0.00 C ATOM 546 O CYS A 134 -12.122 -2.243 13.188 1.00 0.00 O ATOM 547 CB CYS A 134 -9.610 -1.134 14.535 1.00 0.00 C ATOM 548 SG CYS A 134 -8.321 -2.326 14.090 1.00 0.00 S ATOM 0 H CYS A 134 -11.340 0.657 14.616 1.00 0.00 H new ATOM 0 HA CYS A 134 -9.592 -0.296 12.551 1.00 0.00 H new ATOM 0 HB2 CYS A 134 -9.169 -0.285 15.057 1.00 0.00 H new ATOM 0 HB3 CYS A 134 -10.324 -1.593 15.219 1.00 0.00 H new ATOM 553 N GLY A 135 -10.656 -2.333 11.543 1.00 0.00 N ATOM 554 CA GLY A 135 -11.371 -3.469 10.888 1.00 0.00 C ATOM 555 C GLY A 135 -10.695 -4.789 11.263 1.00 0.00 C ATOM 556 O GLY A 135 -10.719 -5.742 10.508 1.00 0.00 O ATOM 0 H GLY A 135 -9.817 -2.014 11.059 1.00 0.00 H new ATOM 0 HA2 GLY A 135 -12.415 -3.483 11.200 1.00 0.00 H new ATOM 0 HA3 GLY A 135 -11.364 -3.340 9.806 1.00 0.00 H new ATOM 560 N LEU A 136 -10.094 -4.849 12.425 1.00 0.00 N ATOM 561 CA LEU A 136 -9.411 -6.106 12.855 1.00 0.00 C ATOM 562 C LEU A 136 -9.934 -6.521 14.233 1.00 0.00 C ATOM 563 O LEU A 136 -10.202 -7.682 14.481 1.00 0.00 O ATOM 564 CB LEU A 136 -7.895 -5.872 12.937 1.00 0.00 C ATOM 565 CG LEU A 136 -7.402 -5.139 11.682 1.00 0.00 C ATOM 566 CD1 LEU A 136 -5.904 -4.854 11.815 1.00 0.00 C ATOM 567 CD2 LEU A 136 -7.648 -6.008 10.444 1.00 0.00 C ATOM 0 H LEU A 136 -10.047 -4.081 13.094 1.00 0.00 H new ATOM 0 HA LEU A 136 -9.616 -6.894 12.130 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -7.658 -5.287 13.825 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -7.377 -6.826 13.036 1.00 0.00 H new ATOM 0 HG LEU A 136 -7.945 -4.200 11.576 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -5.552 -4.333 10.924 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -5.729 -4.231 12.692 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -5.363 -5.794 11.923 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -7.296 -5.483 9.556 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -7.108 -6.949 10.547 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -8.715 -6.210 10.348 1.00 0.00 H new ATOM 579 N CYS A 137 -10.079 -5.578 15.128 1.00 0.00 N ATOM 580 CA CYS A 137 -10.582 -5.900 16.497 1.00 0.00 C ATOM 581 C CYS A 137 -11.954 -5.249 16.738 1.00 0.00 C ATOM 582 O CYS A 137 -12.585 -5.481 17.752 1.00 0.00 O ATOM 583 CB CYS A 137 -9.582 -5.377 17.529 1.00 0.00 C ATOM 584 SG CYS A 137 -9.338 -3.595 17.307 1.00 0.00 S ATOM 0 H CYS A 137 -9.869 -4.593 14.968 1.00 0.00 H new ATOM 0 HA CYS A 137 -10.690 -6.981 16.591 1.00 0.00 H new ATOM 0 HB2 CYS A 137 -9.946 -5.580 18.536 1.00 0.00 H new ATOM 0 HB3 CYS A 137 -8.631 -5.899 17.423 1.00 0.00 H new ATOM 589 N ASN A 138 -12.413 -4.426 15.822 1.00 0.00 N ATOM 590 CA ASN A 138 -13.738 -3.740 15.987 1.00 0.00 C ATOM 591 C ASN A 138 -13.613 -2.651 17.057 1.00 0.00 C ATOM 592 O ASN A 138 -14.378 -2.598 18.003 1.00 0.00 O ATOM 593 CB ASN A 138 -14.826 -4.749 16.389 1.00 0.00 C ATOM 594 CG ASN A 138 -16.205 -4.159 16.088 1.00 0.00 C ATOM 595 OD1 ASN A 138 -16.674 -4.219 14.969 1.00 0.00 O ATOM 596 ND2 ASN A 138 -16.880 -3.586 17.047 1.00 0.00 N ATOM 0 H ASN A 138 -11.921 -4.198 14.958 1.00 0.00 H new ATOM 0 HA ASN A 138 -14.025 -3.290 15.037 1.00 0.00 H new ATOM 0 HB2 ASN A 138 -14.691 -5.683 15.843 1.00 0.00 H new ATOM 0 HB3 ASN A 138 -14.744 -4.986 17.450 1.00 0.00 H new ATOM 0 HD21 ASN A 138 -17.800 -3.189 16.856 1.00 0.00 H new ATOM 0 HD22 ASN A 138 -16.487 -3.535 17.987 1.00 0.00 H new ATOM 603 N ARG A 139 -12.651 -1.778 16.902 1.00 0.00 N ATOM 604 CA ARG A 139 -12.457 -0.676 17.888 1.00 0.00 C ATOM 605 C ARG A 139 -12.659 0.666 17.180 1.00 0.00 C ATOM 606 O ARG A 139 -13.076 0.711 16.037 1.00 0.00 O ATOM 607 CB ARG A 139 -11.037 -0.749 18.457 1.00 0.00 C ATOM 608 CG ARG A 139 -11.029 -1.646 19.697 1.00 0.00 C ATOM 609 CD ARG A 139 -9.972 -1.145 20.684 1.00 0.00 C ATOM 610 NE ARG A 139 -9.761 -2.166 21.746 1.00 0.00 N ATOM 611 CZ ARG A 139 -8.550 -2.490 22.109 1.00 0.00 C ATOM 612 NH1 ARG A 139 -7.650 -2.766 21.205 1.00 0.00 N ATOM 613 NH2 ARG A 139 -8.238 -2.538 23.375 1.00 0.00 N ATOM 0 H ARG A 139 -11.987 -1.783 16.128 1.00 0.00 H new ATOM 0 HA ARG A 139 -13.176 -0.773 18.701 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -10.353 -1.143 17.706 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -10.686 0.250 18.715 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -12.012 -1.642 20.168 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -10.816 -2.676 19.412 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -9.035 -0.949 20.162 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -10.292 -0.203 21.129 1.00 0.00 H new ATOM 0 HE ARG A 139 -10.563 -2.613 22.190 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -7.893 -2.728 20.215 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -6.703 -3.019 21.488 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -8.941 -2.322 24.082 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -7.291 -2.791 23.658 1.00 0.00 H new ATOM 627 N ALA A 140 -12.372 1.758 17.844 1.00 0.00 N ATOM 628 CA ALA A 140 -12.551 3.095 17.206 1.00 0.00 C ATOM 629 C ALA A 140 -11.485 4.064 17.724 1.00 0.00 C ATOM 630 O ALA A 140 -11.105 4.022 18.879 1.00 0.00 O ATOM 631 CB ALA A 140 -13.942 3.633 17.544 1.00 0.00 C ATOM 0 H ALA A 140 -12.021 1.779 18.802 1.00 0.00 H new ATOM 0 HA ALA A 140 -12.449 2.998 16.125 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -14.077 4.610 17.080 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -14.699 2.945 17.168 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -14.042 3.728 18.625 1.00 0.00 H new ATOM 637 N PHE A 141 -11.004 4.937 16.875 1.00 0.00 N ATOM 638 CA PHE A 141 -9.963 5.917 17.304 1.00 0.00 C ATOM 639 C PHE A 141 -10.391 7.328 16.897 1.00 0.00 C ATOM 640 O PHE A 141 -11.358 7.510 16.183 1.00 0.00 O ATOM 641 CB PHE A 141 -8.631 5.575 16.632 1.00 0.00 C ATOM 642 CG PHE A 141 -8.150 4.231 17.122 1.00 0.00 C ATOM 643 CD1 PHE A 141 -7.431 4.139 18.320 1.00 0.00 C ATOM 644 CD2 PHE A 141 -8.423 3.076 16.380 1.00 0.00 C ATOM 645 CE1 PHE A 141 -6.985 2.893 18.775 1.00 0.00 C ATOM 646 CE2 PHE A 141 -7.977 1.830 16.834 1.00 0.00 C ATOM 647 CZ PHE A 141 -7.258 1.738 18.032 1.00 0.00 C ATOM 0 H PHE A 141 -11.290 5.012 15.899 1.00 0.00 H new ATOM 0 HA PHE A 141 -9.846 5.871 18.387 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -8.752 5.557 15.549 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -7.890 6.342 16.857 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -7.221 5.030 18.893 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -8.978 3.147 15.456 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -6.430 2.822 19.699 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -8.187 0.939 16.261 1.00 0.00 H new ATOM 0 HZ PHE A 141 -6.914 0.776 18.383 1.00 0.00 H new ATOM 657 N THR A 142 -9.676 8.330 17.349 1.00 0.00 N ATOM 658 CA THR A 142 -10.039 9.734 16.996 1.00 0.00 C ATOM 659 C THR A 142 -9.021 10.296 16.001 1.00 0.00 C ATOM 660 O THR A 142 -9.344 11.136 15.181 1.00 0.00 O ATOM 661 CB THR A 142 -10.041 10.594 18.262 1.00 0.00 C ATOM 662 OG1 THR A 142 -8.802 10.438 18.940 1.00 0.00 O ATOM 663 CG2 THR A 142 -11.185 10.156 19.177 1.00 0.00 C ATOM 0 H THR A 142 -8.856 8.233 17.948 1.00 0.00 H new ATOM 0 HA THR A 142 -11.031 9.747 16.544 1.00 0.00 H new ATOM 0 HB THR A 142 -10.178 11.641 17.991 1.00 0.00 H new ATOM 0 HG1 THR A 142 -8.801 10.989 19.750 1.00 0.00 H new ATOM 0 HG21 THR A 142 -11.185 10.769 20.078 1.00 0.00 H new ATOM 0 HG22 THR A 142 -12.135 10.277 18.656 1.00 0.00 H new ATOM 0 HG23 THR A 142 -11.052 9.109 19.450 1.00 0.00 H new ATOM 671 N ARG A 143 -7.794 9.842 16.070 1.00 0.00 N ATOM 672 CA ARG A 143 -6.749 10.351 15.132 1.00 0.00 C ATOM 673 C ARG A 143 -6.348 9.241 14.158 1.00 0.00 C ATOM 674 O ARG A 143 -6.513 8.068 14.439 1.00 0.00 O ATOM 675 CB ARG A 143 -5.521 10.796 15.930 1.00 0.00 C ATOM 676 CG ARG A 143 -5.916 11.922 16.888 1.00 0.00 C ATOM 677 CD ARG A 143 -4.743 12.890 17.049 1.00 0.00 C ATOM 678 NE ARG A 143 -5.230 14.169 17.639 1.00 0.00 N ATOM 679 CZ ARG A 143 -4.505 15.249 17.546 1.00 0.00 C ATOM 680 NH1 ARG A 143 -3.240 15.216 17.865 1.00 0.00 N ATOM 681 NH2 ARG A 143 -5.044 16.364 17.133 1.00 0.00 N ATOM 0 H ARG A 143 -7.472 9.140 16.736 1.00 0.00 H new ATOM 0 HA ARG A 143 -7.147 11.197 14.572 1.00 0.00 H new ATOM 0 HB2 ARG A 143 -5.113 9.954 16.490 1.00 0.00 H new ATOM 0 HB3 ARG A 143 -4.738 11.138 15.253 1.00 0.00 H new ATOM 0 HG2 ARG A 143 -6.788 12.451 16.504 1.00 0.00 H new ATOM 0 HG3 ARG A 143 -6.195 11.508 17.857 1.00 0.00 H new ATOM 0 HD2 ARG A 143 -3.980 12.449 17.690 1.00 0.00 H new ATOM 0 HD3 ARG A 143 -4.277 13.078 16.081 1.00 0.00 H new ATOM 0 HE ARG A 143 -6.131 14.200 18.116 1.00 0.00 H new ATOM 0 HH11 ARG A 143 -2.818 14.345 18.187 1.00 0.00 H new ATOM 0 HH12 ARG A 143 -2.673 16.061 17.792 1.00 0.00 H new ATOM 0 HH21 ARG A 143 -6.033 16.391 16.883 1.00 0.00 H new ATOM 0 HH22 ARG A 143 -4.477 17.209 17.060 1.00 0.00 H new ATOM 695 N ARG A 144 -5.821 9.605 13.016 1.00 0.00 N ATOM 696 CA ARG A 144 -5.403 8.580 12.016 1.00 0.00 C ATOM 697 C ARG A 144 -4.079 7.950 12.454 1.00 0.00 C ATOM 698 O ARG A 144 -3.865 6.764 12.296 1.00 0.00 O ATOM 699 CB ARG A 144 -5.225 9.244 10.649 1.00 0.00 C ATOM 700 CG ARG A 144 -4.951 8.171 9.592 1.00 0.00 C ATOM 701 CD ARG A 144 -4.570 8.842 8.271 1.00 0.00 C ATOM 702 NE ARG A 144 -3.585 7.990 7.547 1.00 0.00 N ATOM 703 CZ ARG A 144 -2.405 8.465 7.254 1.00 0.00 C ATOM 704 NH1 ARG A 144 -1.595 8.834 8.207 1.00 0.00 N ATOM 705 NH2 ARG A 144 -2.036 8.567 6.007 1.00 0.00 N ATOM 0 H ARG A 144 -5.662 10.572 12.734 1.00 0.00 H new ATOM 0 HA ARG A 144 -6.168 7.806 11.947 1.00 0.00 H new ATOM 0 HB2 ARG A 144 -6.121 9.807 10.387 1.00 0.00 H new ATOM 0 HB3 ARG A 144 -4.400 9.955 10.683 1.00 0.00 H new ATOM 0 HG2 ARG A 144 -4.146 7.515 9.924 1.00 0.00 H new ATOM 0 HG3 ARG A 144 -5.834 7.547 9.454 1.00 0.00 H new ATOM 0 HD2 ARG A 144 -5.458 8.991 7.657 1.00 0.00 H new ATOM 0 HD3 ARG A 144 -4.144 9.827 8.461 1.00 0.00 H new ATOM 0 HE ARG A 144 -3.832 7.037 7.281 1.00 0.00 H new ATOM 0 HH11 ARG A 144 -1.883 8.751 9.182 1.00 0.00 H new ATOM 0 HH12 ARG A 144 -0.673 9.205 7.978 1.00 0.00 H new ATOM 0 HH21 ARG A 144 -2.669 8.276 5.262 1.00 0.00 H new ATOM 0 HH22 ARG A 144 -1.114 8.938 5.777 1.00 0.00 H new ATOM 719 N ASP A 145 -3.191 8.740 13.007 1.00 0.00 N ATOM 720 CA ASP A 145 -1.877 8.196 13.463 1.00 0.00 C ATOM 721 C ASP A 145 -2.106 7.138 14.547 1.00 0.00 C ATOM 722 O ASP A 145 -1.320 6.226 14.711 1.00 0.00 O ATOM 723 CB ASP A 145 -1.025 9.333 14.034 1.00 0.00 C ATOM 724 CG ASP A 145 -1.817 10.071 15.116 1.00 0.00 C ATOM 725 OD1 ASP A 145 -1.778 9.634 16.254 1.00 0.00 O ATOM 726 OD2 ASP A 145 -2.450 11.062 14.787 1.00 0.00 O ATOM 0 H ASP A 145 -3.321 9.740 13.162 1.00 0.00 H new ATOM 0 HA ASP A 145 -1.361 7.742 12.617 1.00 0.00 H new ATOM 0 HB2 ASP A 145 -0.101 8.934 14.453 1.00 0.00 H new ATOM 0 HB3 ASP A 145 -0.743 10.024 13.240 1.00 0.00 H new ATOM 731 N LEU A 146 -3.182 7.256 15.285 1.00 0.00 N ATOM 732 CA LEU A 146 -3.476 6.264 16.359 1.00 0.00 C ATOM 733 C LEU A 146 -3.798 4.905 15.734 1.00 0.00 C ATOM 734 O LEU A 146 -3.251 3.888 16.117 1.00 0.00 O ATOM 735 CB LEU A 146 -4.682 6.741 17.170 1.00 0.00 C ATOM 736 CG LEU A 146 -4.204 7.599 18.343 1.00 0.00 C ATOM 737 CD1 LEU A 146 -5.335 8.525 18.792 1.00 0.00 C ATOM 738 CD2 LEU A 146 -3.799 6.689 19.505 1.00 0.00 C ATOM 0 H LEU A 146 -3.871 8.001 15.187 1.00 0.00 H new ATOM 0 HA LEU A 146 -2.606 6.168 17.008 1.00 0.00 H new ATOM 0 HB2 LEU A 146 -5.355 7.317 16.535 1.00 0.00 H new ATOM 0 HB3 LEU A 146 -5.247 5.885 17.539 1.00 0.00 H new ATOM 0 HG LEU A 146 -3.348 8.197 18.032 1.00 0.00 H new ATOM 0 HD11 LEU A 146 -4.995 9.136 19.628 1.00 0.00 H new ATOM 0 HD12 LEU A 146 -5.626 9.172 17.964 1.00 0.00 H new ATOM 0 HD13 LEU A 146 -6.192 7.928 19.105 1.00 0.00 H new ATOM 0 HD21 LEU A 146 -3.458 7.298 20.342 1.00 0.00 H new ATOM 0 HD22 LEU A 146 -4.657 6.092 19.816 1.00 0.00 H new ATOM 0 HD23 LEU A 146 -2.994 6.028 19.186 1.00 0.00 H new ATOM 750 N LEU A 147 -4.693 4.883 14.779 1.00 0.00 N ATOM 751 CA LEU A 147 -5.077 3.598 14.117 1.00 0.00 C ATOM 752 C LEU A 147 -3.834 2.879 13.576 1.00 0.00 C ATOM 753 O LEU A 147 -3.742 1.667 13.626 1.00 0.00 O ATOM 754 CB LEU A 147 -6.033 3.893 12.956 1.00 0.00 C ATOM 755 CG LEU A 147 -7.036 2.743 12.803 1.00 0.00 C ATOM 756 CD1 LEU A 147 -8.038 3.079 11.691 1.00 0.00 C ATOM 757 CD2 LEU A 147 -6.289 1.454 12.444 1.00 0.00 C ATOM 0 H LEU A 147 -5.179 5.708 14.426 1.00 0.00 H new ATOM 0 HA LEU A 147 -5.564 2.957 14.851 1.00 0.00 H new ATOM 0 HB2 LEU A 147 -6.563 4.828 13.138 1.00 0.00 H new ATOM 0 HB3 LEU A 147 -5.469 4.021 12.032 1.00 0.00 H new ATOM 0 HG LEU A 147 -7.570 2.603 13.743 1.00 0.00 H new ATOM 0 HD11 LEU A 147 -8.750 2.261 11.583 1.00 0.00 H new ATOM 0 HD12 LEU A 147 -8.572 3.994 11.947 1.00 0.00 H new ATOM 0 HD13 LEU A 147 -7.504 3.221 10.751 1.00 0.00 H new ATOM 0 HD21 LEU A 147 -7.003 0.638 12.336 1.00 0.00 H new ATOM 0 HD22 LEU A 147 -5.752 1.594 11.506 1.00 0.00 H new ATOM 0 HD23 LEU A 147 -5.579 1.212 13.235 1.00 0.00 H new ATOM 769 N ILE A 148 -2.884 3.618 13.061 1.00 0.00 N ATOM 770 CA ILE A 148 -1.649 2.977 12.516 1.00 0.00 C ATOM 771 C ILE A 148 -0.851 2.354 13.664 1.00 0.00 C ATOM 772 O ILE A 148 -0.445 1.212 13.596 1.00 0.00 O ATOM 773 CB ILE A 148 -0.792 4.029 11.806 1.00 0.00 C ATOM 774 CG1 ILE A 148 -1.626 4.724 10.727 1.00 0.00 C ATOM 775 CG2 ILE A 148 0.415 3.349 11.152 1.00 0.00 C ATOM 776 CD1 ILE A 148 -0.965 6.050 10.345 1.00 0.00 C ATOM 0 H ILE A 148 -2.910 4.635 12.994 1.00 0.00 H new ATOM 0 HA ILE A 148 -1.928 2.201 11.803 1.00 0.00 H new ATOM 0 HB ILE A 148 -0.448 4.765 12.533 1.00 0.00 H new ATOM 0 HG12 ILE A 148 -1.712 4.083 9.850 1.00 0.00 H new ATOM 0 HG13 ILE A 148 -2.637 4.902 11.093 1.00 0.00 H new ATOM 0 HG21 ILE A 148 1.025 4.098 10.647 1.00 0.00 H new ATOM 0 HG22 ILE A 148 1.011 2.852 11.917 1.00 0.00 H new ATOM 0 HG23 ILE A 148 0.069 2.613 10.426 1.00 0.00 H new ATOM 0 HD11 ILE A 148 -1.559 6.545 9.577 1.00 0.00 H new ATOM 0 HD12 ILE A 148 -0.902 6.692 11.224 1.00 0.00 H new ATOM 0 HD13 ILE A 148 0.038 5.860 9.962 1.00 0.00 H new ATOM 788 N ARG A 149 -0.630 3.097 14.716 1.00 0.00 N ATOM 789 CA ARG A 149 0.139 2.555 15.875 1.00 0.00 C ATOM 790 C ARG A 149 -0.630 1.393 16.522 1.00 0.00 C ATOM 791 O ARG A 149 -0.073 0.629 17.285 1.00 0.00 O ATOM 792 CB ARG A 149 0.344 3.668 16.909 1.00 0.00 C ATOM 793 CG ARG A 149 1.238 3.164 18.049 1.00 0.00 C ATOM 794 CD ARG A 149 0.378 2.836 19.275 1.00 0.00 C ATOM 795 NE ARG A 149 1.232 2.838 20.496 1.00 0.00 N ATOM 796 CZ ARG A 149 0.747 2.417 21.633 1.00 0.00 C ATOM 797 NH1 ARG A 149 0.618 1.137 21.852 1.00 0.00 N ATOM 798 NH2 ARG A 149 0.389 3.276 22.547 1.00 0.00 N ATOM 0 H ARG A 149 -0.950 4.060 14.823 1.00 0.00 H new ATOM 0 HA ARG A 149 1.105 2.191 15.525 1.00 0.00 H new ATOM 0 HB2 ARG A 149 0.800 4.537 16.435 1.00 0.00 H new ATOM 0 HB3 ARG A 149 -0.619 3.990 17.306 1.00 0.00 H new ATOM 0 HG2 ARG A 149 1.786 2.277 17.729 1.00 0.00 H new ATOM 0 HG3 ARG A 149 1.979 3.921 18.305 1.00 0.00 H new ATOM 0 HD2 ARG A 149 -0.423 3.568 19.377 1.00 0.00 H new ATOM 0 HD3 ARG A 149 -0.095 1.862 19.151 1.00 0.00 H new ATOM 0 HE ARG A 149 2.196 3.168 20.444 1.00 0.00 H new ATOM 0 HH11 ARG A 149 0.896 0.466 21.135 1.00 0.00 H new ATOM 0 HH12 ARG A 149 0.239 0.807 22.740 1.00 0.00 H new ATOM 0 HH21 ARG A 149 0.488 4.276 22.373 1.00 0.00 H new ATOM 0 HH22 ARG A 149 0.010 2.947 23.435 1.00 0.00 H new ATOM 812 N HIS A 150 -1.903 1.259 16.231 1.00 0.00 N ATOM 813 CA HIS A 150 -2.705 0.155 16.839 1.00 0.00 C ATOM 814 C HIS A 150 -2.389 -1.170 16.123 1.00 0.00 C ATOM 815 O HIS A 150 -2.017 -2.142 16.749 1.00 0.00 O ATOM 816 CB HIS A 150 -4.201 0.504 16.703 1.00 0.00 C ATOM 817 CG HIS A 150 -5.067 -0.666 17.104 1.00 0.00 C ATOM 818 ND1 HIS A 150 -4.827 -1.407 18.251 1.00 0.00 N ATOM 819 CD2 HIS A 150 -6.163 -1.237 16.511 1.00 0.00 C ATOM 820 CE1 HIS A 150 -5.760 -2.373 18.310 1.00 0.00 C ATOM 821 NE2 HIS A 150 -6.600 -2.316 17.274 1.00 0.00 N ATOM 0 H HIS A 150 -2.420 1.869 15.597 1.00 0.00 H new ATOM 0 HA HIS A 150 -2.455 0.040 17.894 1.00 0.00 H new ATOM 0 HB2 HIS A 150 -4.435 1.366 17.328 1.00 0.00 H new ATOM 0 HB3 HIS A 150 -4.420 0.788 15.674 1.00 0.00 H new ATOM 0 HD1 HIS A 150 -4.079 -1.248 18.926 1.00 0.00 H new ATOM 0 HD2 HIS A 150 -6.618 -0.901 15.591 1.00 0.00 H new ATOM 0 HE1 HIS A 150 -5.822 -3.107 19.100 1.00 0.00 H new ATOM 829 N ALA A 151 -2.559 -1.219 14.826 1.00 0.00 N ATOM 830 CA ALA A 151 -2.292 -2.487 14.080 1.00 0.00 C ATOM 831 C ALA A 151 -0.789 -2.781 14.041 1.00 0.00 C ATOM 832 O ALA A 151 -0.349 -3.858 14.395 1.00 0.00 O ATOM 833 CB ALA A 151 -2.820 -2.353 12.649 1.00 0.00 C ATOM 0 H ALA A 151 -2.871 -0.436 14.251 1.00 0.00 H new ATOM 0 HA ALA A 151 -2.797 -3.308 14.589 1.00 0.00 H new ATOM 0 HB1 ALA A 151 -2.627 -3.276 12.102 1.00 0.00 H new ATOM 0 HB2 ALA A 151 -3.893 -2.163 12.673 1.00 0.00 H new ATOM 0 HB3 ALA A 151 -2.316 -1.524 12.151 1.00 0.00 H new ATOM 839 N GLN A 152 0.001 -1.835 13.602 1.00 0.00 N ATOM 840 CA GLN A 152 1.483 -2.049 13.517 1.00 0.00 C ATOM 841 C GLN A 152 2.048 -2.557 14.855 1.00 0.00 C ATOM 842 O GLN A 152 3.102 -3.163 14.894 1.00 0.00 O ATOM 843 CB GLN A 152 2.166 -0.724 13.160 1.00 0.00 C ATOM 844 CG GLN A 152 1.515 -0.111 11.910 1.00 0.00 C ATOM 845 CD GLN A 152 2.510 -0.116 10.746 1.00 0.00 C ATOM 846 OE1 GLN A 152 2.233 -0.659 9.696 1.00 0.00 O ATOM 847 NE2 GLN A 152 3.666 0.473 10.890 1.00 0.00 N ATOM 0 H GLN A 152 -0.317 -0.915 13.296 1.00 0.00 H new ATOM 0 HA GLN A 152 1.677 -2.798 12.750 1.00 0.00 H new ATOM 0 HB2 GLN A 152 2.089 -0.030 13.997 1.00 0.00 H new ATOM 0 HB3 GLN A 152 3.228 -0.891 12.981 1.00 0.00 H new ATOM 0 HG2 GLN A 152 0.623 -0.677 11.640 1.00 0.00 H new ATOM 0 HG3 GLN A 152 1.194 0.909 12.120 1.00 0.00 H new ATOM 0 HE21 GLN A 152 3.899 0.929 11.772 1.00 0.00 H new ATOM 0 HE22 GLN A 152 4.336 0.477 10.121 1.00 0.00 H new ATOM 856 N LYS A 153 1.369 -2.301 15.946 1.00 0.00 N ATOM 857 CA LYS A 153 1.884 -2.756 17.275 1.00 0.00 C ATOM 858 C LYS A 153 1.208 -4.063 17.700 1.00 0.00 C ATOM 859 O LYS A 153 1.761 -4.826 18.471 1.00 0.00 O ATOM 860 CB LYS A 153 1.595 -1.680 18.324 1.00 0.00 C ATOM 861 CG LYS A 153 2.600 -0.536 18.177 1.00 0.00 C ATOM 862 CD LYS A 153 2.969 0.008 19.561 1.00 0.00 C ATOM 863 CE LYS A 153 4.449 0.397 19.582 1.00 0.00 C ATOM 864 NZ LYS A 153 4.643 1.658 18.814 1.00 0.00 N ATOM 0 H LYS A 153 0.482 -1.798 15.974 1.00 0.00 H new ATOM 0 HA LYS A 153 2.958 -2.926 17.193 1.00 0.00 H new ATOM 0 HB2 LYS A 153 0.579 -1.303 18.203 1.00 0.00 H new ATOM 0 HB3 LYS A 153 1.659 -2.107 19.325 1.00 0.00 H new ATOM 0 HG2 LYS A 153 3.495 -0.889 17.664 1.00 0.00 H new ATOM 0 HG3 LYS A 153 2.174 0.259 17.565 1.00 0.00 H new ATOM 0 HD2 LYS A 153 2.352 0.874 19.799 1.00 0.00 H new ATOM 0 HD3 LYS A 153 2.770 -0.745 20.324 1.00 0.00 H new ATOM 0 HE2 LYS A 153 4.786 0.529 20.610 1.00 0.00 H new ATOM 0 HE3 LYS A 153 5.052 -0.401 19.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 5.649 1.922 18.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 4.336 1.516 17.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 4.079 2.418 19.246 1.00 0.00 H new ATOM 878 N ILE A 154 0.016 -4.319 17.226 1.00 0.00 N ATOM 879 CA ILE A 154 -0.696 -5.570 17.628 1.00 0.00 C ATOM 880 C ILE A 154 -1.081 -6.387 16.387 1.00 0.00 C ATOM 881 O ILE A 154 -0.775 -7.562 16.299 1.00 0.00 O ATOM 882 CB ILE A 154 -1.953 -5.195 18.426 1.00 0.00 C ATOM 883 CG1 ILE A 154 -1.545 -4.390 19.664 1.00 0.00 C ATOM 884 CG2 ILE A 154 -2.688 -6.464 18.874 1.00 0.00 C ATOM 885 CD1 ILE A 154 -1.567 -2.895 19.342 1.00 0.00 C ATOM 0 H ILE A 154 -0.495 -3.718 16.579 1.00 0.00 H new ATOM 0 HA ILE A 154 -0.038 -6.179 18.247 1.00 0.00 H new ATOM 0 HB ILE A 154 -2.612 -4.600 17.794 1.00 0.00 H new ATOM 0 HG12 ILE A 154 -2.226 -4.604 20.488 1.00 0.00 H new ATOM 0 HG13 ILE A 154 -0.548 -4.686 19.989 1.00 0.00 H new ATOM 0 HG21 ILE A 154 -3.578 -6.188 19.439 1.00 0.00 H new ATOM 0 HG22 ILE A 154 -2.979 -7.044 17.998 1.00 0.00 H new ATOM 0 HG23 ILE A 154 -2.030 -7.063 19.503 1.00 0.00 H new ATOM 0 HD11 ILE A 154 -1.276 -2.328 20.226 1.00 0.00 H new ATOM 0 HD12 ILE A 154 -0.868 -2.687 18.532 1.00 0.00 H new ATOM 0 HD13 ILE A 154 -2.572 -2.603 19.038 1.00 0.00 H new ATOM 897 N HIS A 155 -1.757 -5.786 15.438 1.00 0.00 N ATOM 898 CA HIS A 155 -2.164 -6.542 14.218 1.00 0.00 C ATOM 899 C HIS A 155 -0.952 -6.720 13.297 1.00 0.00 C ATOM 900 O HIS A 155 -0.336 -7.769 13.273 1.00 0.00 O ATOM 901 CB HIS A 155 -3.275 -5.778 13.487 1.00 0.00 C ATOM 902 CG HIS A 155 -4.490 -5.697 14.369 1.00 0.00 C ATOM 903 ND1 HIS A 155 -5.227 -6.816 14.720 1.00 0.00 N ATOM 904 CD2 HIS A 155 -5.109 -4.634 14.983 1.00 0.00 C ATOM 905 CE1 HIS A 155 -6.236 -6.407 15.511 1.00 0.00 C ATOM 906 NE2 HIS A 155 -6.211 -5.085 15.702 1.00 0.00 N ATOM 0 H HIS A 155 -2.043 -4.807 15.458 1.00 0.00 H new ATOM 0 HA HIS A 155 -2.539 -7.524 14.505 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -2.933 -4.776 13.228 1.00 0.00 H new ATOM 0 HB3 HIS A 155 -3.523 -6.281 12.553 1.00 0.00 H new ATOM 0 HD1 HIS A 155 -5.039 -7.776 14.431 1.00 0.00 H new ATOM 0 HD2 HIS A 155 -4.788 -3.605 14.917 1.00 0.00 H new ATOM 0 HE1 HIS A 155 -6.976 -7.067 15.939 1.00 0.00 H new ATOM 914 N SER A 156 -0.602 -5.705 12.543 1.00 0.00 N ATOM 915 CA SER A 156 0.575 -5.812 11.626 1.00 0.00 C ATOM 916 C SER A 156 0.730 -4.509 10.835 1.00 0.00 C ATOM 917 O SER A 156 0.118 -3.505 11.149 1.00 0.00 O ATOM 918 CB SER A 156 0.371 -6.981 10.657 1.00 0.00 C ATOM 919 OG SER A 156 1.378 -7.959 10.886 1.00 0.00 O ATOM 0 H SER A 156 -1.083 -4.805 12.524 1.00 0.00 H new ATOM 0 HA SER A 156 1.475 -5.987 12.215 1.00 0.00 H new ATOM 0 HB2 SER A 156 -0.617 -7.419 10.799 1.00 0.00 H new ATOM 0 HB3 SER A 156 0.418 -6.628 9.627 1.00 0.00 H new ATOM 0 HG SER A 156 1.248 -8.361 11.770 1.00 0.00 H new ATOM 925 N GLY A 157 1.543 -4.526 9.810 1.00 0.00 N ATOM 926 CA GLY A 157 1.747 -3.300 8.985 1.00 0.00 C ATOM 927 C GLY A 157 1.822 -3.690 7.508 1.00 0.00 C ATOM 928 O GLY A 157 0.843 -4.109 6.919 1.00 0.00 O ATOM 0 H GLY A 157 2.077 -5.341 9.508 1.00 0.00 H new ATOM 0 HA2 GLY A 157 0.928 -2.599 9.147 1.00 0.00 H new ATOM 0 HA3 GLY A 157 2.664 -2.794 9.286 1.00 0.00 H new ATOM 932 N ASN A 158 2.978 -3.556 6.906 1.00 0.00 N ATOM 933 CA ASN A 158 3.132 -3.920 5.463 1.00 0.00 C ATOM 934 C ASN A 158 2.173 -3.080 4.611 1.00 0.00 C ATOM 935 O ASN A 158 1.549 -3.574 3.691 1.00 0.00 O ATOM 936 CB ASN A 158 2.818 -5.407 5.273 1.00 0.00 C ATOM 937 CG ASN A 158 3.703 -6.239 6.204 1.00 0.00 C ATOM 938 OD1 ASN A 158 4.873 -6.431 5.938 1.00 0.00 O ATOM 939 ND2 ASN A 158 3.190 -6.743 7.292 1.00 0.00 N ATOM 0 H ASN A 158 3.826 -3.208 7.354 1.00 0.00 H new ATOM 0 HA ASN A 158 4.157 -3.723 5.150 1.00 0.00 H new ATOM 0 HB2 ASN A 158 1.766 -5.598 5.487 1.00 0.00 H new ATOM 0 HB3 ASN A 158 2.990 -5.696 4.236 1.00 0.00 H new ATOM 0 HD21 ASN A 158 3.771 -7.299 7.920 1.00 0.00 H new ATOM 0 HD22 ASN A 158 2.208 -6.582 7.515 1.00 0.00 H new ATOM 946 N LEU A 159 2.055 -1.810 4.914 1.00 0.00 N ATOM 947 CA LEU A 159 1.140 -0.923 4.131 1.00 0.00 C ATOM 948 C LEU A 159 -0.296 -1.450 4.227 1.00 0.00 C ATOM 949 O LEU A 159 -0.763 -2.164 3.360 1.00 0.00 O ATOM 950 CB LEU A 159 1.576 -0.900 2.663 1.00 0.00 C ATOM 951 CG LEU A 159 0.742 0.128 1.898 1.00 0.00 C ATOM 952 CD1 LEU A 159 1.401 1.505 2.006 1.00 0.00 C ATOM 953 CD2 LEU A 159 0.655 -0.281 0.426 1.00 0.00 C ATOM 0 H LEU A 159 2.556 -1.348 5.673 1.00 0.00 H new ATOM 0 HA LEU A 159 1.184 0.087 4.539 1.00 0.00 H new ATOM 0 HB2 LEU A 159 2.635 -0.651 2.591 1.00 0.00 H new ATOM 0 HB3 LEU A 159 1.450 -1.888 2.220 1.00 0.00 H new ATOM 0 HG LEU A 159 -0.260 0.171 2.324 1.00 0.00 H new ATOM 0 HD11 LEU A 159 0.806 2.237 1.460 1.00 0.00 H new ATOM 0 HD12 LEU A 159 1.464 1.797 3.054 1.00 0.00 H new ATOM 0 HD13 LEU A 159 2.404 1.463 1.580 1.00 0.00 H new ATOM 0 HD21 LEU A 159 0.061 0.451 -0.121 1.00 0.00 H new ATOM 0 HD22 LEU A 159 1.658 -0.325 0.001 1.00 0.00 H new ATOM 0 HD23 LEU A 159 0.185 -1.261 0.348 1.00 0.00 H new ATOM 965 N GLY A 160 -0.994 -1.099 5.278 1.00 0.00 N ATOM 966 CA GLY A 160 -2.400 -1.573 5.442 1.00 0.00 C ATOM 967 C GLY A 160 -2.695 -1.789 6.928 1.00 0.00 C ATOM 968 O GLY A 160 -1.829 -1.641 7.768 1.00 0.00 O ATOM 0 H GLY A 160 -0.649 -0.503 6.031 1.00 0.00 H new ATOM 0 HA2 GLY A 160 -3.093 -0.842 5.025 1.00 0.00 H new ATOM 0 HA3 GLY A 160 -2.548 -2.502 4.892 1.00 0.00 H new ATOM 972 N GLU A 161 -3.915 -2.139 7.255 1.00 0.00 N ATOM 973 CA GLU A 161 -4.282 -2.369 8.686 1.00 0.00 C ATOM 974 C GLU A 161 -4.054 -1.087 9.490 1.00 0.00 C ATOM 975 O GLU A 161 -5.011 -0.357 9.691 1.00 0.00 O ATOM 976 CB GLU A 161 -3.421 -3.496 9.267 1.00 0.00 C ATOM 977 CG GLU A 161 -3.522 -4.731 8.370 1.00 0.00 C ATOM 978 CD GLU A 161 -2.588 -5.822 8.897 1.00 0.00 C ATOM 979 OE1 GLU A 161 -1.401 -5.740 8.627 1.00 0.00 O ATOM 980 OE2 GLU A 161 -3.075 -6.721 9.562 1.00 0.00 O ATOM 981 OXT GLU A 161 -2.925 -0.856 9.891 1.00 0.00 O ATOM 0 H GLU A 161 -4.675 -2.276 6.589 1.00 0.00 H new ATOM 0 HA GLU A 161 -5.333 -2.651 8.744 1.00 0.00 H new ATOM 0 HB2 GLU A 161 -2.383 -3.173 9.343 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -3.754 -3.739 10.276 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -4.549 -5.095 8.349 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -3.255 -4.472 7.345 1.00 0.00 H new TER 988 GLU A 161 HETATM 989 ZN ZN A 162 -7.527 -3.557 15.926 1.00 0.00 ZN HETATM 990 ZN ZN A 163 -27.933 5.796 12.315 1.00 0.00 ZN