USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 681 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 52 GLN : amide:sc= 0.175 X(o=1,f=1.3) USER MOD Set 1.2: A 61 SER OG : rot 180:sc= 0.863 USER MOD Set 2.1: A 40 TYR OH : rot 44:sc= 1.22 USER MOD Set 2.2: A 54 ASN : amide:sc= 1.07 X(o=2.3,f=2.2) USER MOD Set 3.1: A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 29 MET CE :methyl -156:sc= -0.0609 (180deg=-0.609) USER MOD Set 3.3: A 34 THR OG1 : rot 180:sc= -0.142 USER MOD Set 4.1: A 1 MET CE :methyl -148:sc= -2.42! (180deg=-3.99!) USER MOD Set 4.2: A 19 HIS : no HD1:sc= 1.12 K(o=-1.3,f=-8.4!) USER MOD Single : A 1 MET N :NH3+ 132:sc= 0.088 (180deg=-0.00895) USER MOD Single : A 3 SER OG : rot -65:sc= 0.756 USER MOD Single : A 8 LYS NZ :NH3+ 168:sc=-0.00959 (180deg=-0.152) USER MOD Single : A 9 CYS SG : rot 180:sc= 0.158 USER MOD Single : A 11 GLN : amide:sc= -1.78! C(o=-1.8!,f=-5.2!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -170:sc=-0.00473 (180deg=-0.105) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl -160:sc= -1.73 (180deg=-2.45!) USER MOD Single : A 37 CYS SG : rot -170:sc= -0.391 USER MOD Single : A 43 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.105) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 179:sc= 1.18 (180deg=1.12) USER MOD Single : A 65 SER OG : rot -150:sc= 0.0605 USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 HIS : no HD1:sc= -0.113 K(o=-0.11,f=-0.65) USER MOD Single : A 77 HIS : no HE2:sc= 0.879 K(o=0.88,f=-4.2!) USER MOD Single : A 78 HIS : no HE2:sc= 0.049 K(o=0.049,f=-0.58) USER MOD Single : A 79 HIS : no HD1:sc= -0.541 X(o=-0.54,f=-0.077) USER MOD Single : A 80 HIS : no HD1:sc=-0.00104 X(o=-0.001,f=-0.27) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.241 4.051 14.053 1.00 3.53 N ATOM 2 CA MET A 1 -1.182 4.442 12.626 1.00 75.12 C ATOM 3 C MET A 1 -1.777 3.351 11.752 1.00 21.12 C ATOM 4 O MET A 1 -1.898 2.203 12.178 1.00 30.42 O ATOM 5 CB MET A 1 0.259 4.720 12.191 1.00 33.00 C ATOM 6 CG MET A 1 1.198 3.535 12.366 1.00 12.40 C ATOM 7 SD MET A 1 2.790 3.792 11.561 1.00 62.04 S ATOM 8 CE MET A 1 2.286 3.798 9.842 1.00 25.23 C ATOM 0 H1 MET A 1 -0.315 4.215 14.497 1.00 3.53 H new ATOM 0 H2 MET A 1 -1.963 4.620 14.539 1.00 3.53 H new ATOM 0 H3 MET A 1 -1.486 3.043 14.127 1.00 3.53 H new ATOM 0 HA MET A 1 -1.764 5.356 12.507 1.00 75.12 H new ATOM 0 HB2 MET A 1 0.260 5.019 11.143 1.00 33.00 H new ATOM 0 HB3 MET A 1 0.644 5.563 12.764 1.00 33.00 H new ATOM 0 HG2 MET A 1 1.357 3.355 13.429 1.00 12.40 H new ATOM 0 HG3 MET A 1 0.728 2.640 11.958 1.00 12.40 H new ATOM 0 HE1 MET A 1 3.086 3.386 9.227 1.00 25.23 H new ATOM 0 HE2 MET A 1 1.388 3.191 9.724 1.00 25.23 H new ATOM 0 HE3 MET A 1 2.077 4.821 9.528 1.00 25.23 H new ATOM 18 N PHE A 2 -2.144 3.714 10.534 1.00 1.12 N ATOM 19 CA PHE A 2 -2.662 2.755 9.574 1.00 2.52 C ATOM 20 C PHE A 2 -1.747 2.713 8.354 1.00 34.23 C ATOM 21 O PHE A 2 -1.748 3.629 7.532 1.00 1.12 O ATOM 22 CB PHE A 2 -4.093 3.130 9.162 1.00 2.41 C ATOM 23 CG PHE A 2 -4.794 2.069 8.355 1.00 13.35 C ATOM 24 CD1 PHE A 2 -5.426 1.010 8.986 1.00 52.45 C ATOM 25 CD2 PHE A 2 -4.822 2.132 6.972 1.00 11.41 C ATOM 26 CE1 PHE A 2 -6.072 0.034 8.252 1.00 42.30 C ATOM 27 CE2 PHE A 2 -5.466 1.157 6.232 1.00 43.42 C ATOM 28 CZ PHE A 2 -6.092 0.107 6.873 1.00 52.14 C ATOM 0 H PHE A 2 -2.092 4.671 10.186 1.00 1.12 H new ATOM 0 HA PHE A 2 -2.690 1.767 10.033 1.00 2.52 H new ATOM 0 HB2 PHE A 2 -4.677 3.335 10.059 1.00 2.41 H new ATOM 0 HB3 PHE A 2 -4.064 4.053 8.583 1.00 2.41 H new ATOM 0 HD1 PHE A 2 -5.414 0.947 10.064 1.00 52.45 H new ATOM 0 HD2 PHE A 2 -4.335 2.952 6.465 1.00 11.41 H new ATOM 0 HE1 PHE A 2 -6.561 -0.786 8.757 1.00 42.30 H new ATOM 0 HE2 PHE A 2 -5.479 1.217 5.154 1.00 43.42 H new ATOM 0 HZ PHE A 2 -6.596 -0.655 6.298 1.00 52.14 H new ATOM 38 N SER A 3 -0.951 1.662 8.254 1.00 60.12 N ATOM 39 CA SER A 3 -0.010 1.528 7.157 1.00 40.21 C ATOM 40 C SER A 3 -0.599 0.652 6.061 1.00 23.23 C ATOM 41 O SER A 3 -1.674 0.073 6.231 1.00 15.33 O ATOM 42 CB SER A 3 1.311 0.940 7.662 1.00 43.21 C ATOM 43 OG SER A 3 1.131 -0.355 8.218 1.00 30.35 O ATOM 0 H SER A 3 -0.938 0.889 8.920 1.00 60.12 H new ATOM 0 HA SER A 3 0.187 2.516 6.741 1.00 40.21 H new ATOM 0 HB2 SER A 3 2.024 0.887 6.839 1.00 43.21 H new ATOM 0 HB3 SER A 3 1.740 1.602 8.414 1.00 43.21 H new ATOM 0 HG SER A 3 0.570 -0.292 9.019 1.00 30.35 H new ATOM 49 N LEU A 4 0.108 0.549 4.941 1.00 44.24 N ATOM 50 CA LEU A 4 -0.326 -0.307 3.840 1.00 41.04 C ATOM 51 C LEU A 4 -0.298 -1.772 4.274 1.00 33.55 C ATOM 52 O LEU A 4 -0.942 -2.629 3.675 1.00 31.33 O ATOM 53 CB LEU A 4 0.574 -0.090 2.618 1.00 30.22 C ATOM 54 CG LEU A 4 0.080 -0.723 1.313 1.00 13.34 C ATOM 55 CD1 LEU A 4 -1.311 -0.220 0.970 1.00 41.43 C ATOM 56 CD2 LEU A 4 1.046 -0.417 0.180 1.00 52.04 C ATOM 0 H LEU A 4 0.982 1.046 4.770 1.00 44.24 H new ATOM 0 HA LEU A 4 -1.348 -0.045 3.567 1.00 41.04 H new ATOM 0 HB2 LEU A 4 0.690 0.982 2.460 1.00 30.22 H new ATOM 0 HB3 LEU A 4 1.564 -0.488 2.842 1.00 30.22 H new ATOM 0 HG LEU A 4 0.032 -1.803 1.450 1.00 13.34 H new ATOM 0 HD11 LEU A 4 -1.645 -0.680 0.040 1.00 41.43 H new ATOM 0 HD12 LEU A 4 -2.001 -0.481 1.773 1.00 41.43 H new ATOM 0 HD13 LEU A 4 -1.287 0.863 0.850 1.00 41.43 H new ATOM 0 HD21 LEU A 4 0.683 -0.873 -0.741 1.00 52.04 H new ATOM 0 HD22 LEU A 4 1.120 0.662 0.046 1.00 52.04 H new ATOM 0 HD23 LEU A 4 2.029 -0.821 0.421 1.00 52.04 H new ATOM 68 N ARG A 5 0.451 -2.031 5.340 1.00 32.31 N ATOM 69 CA ARG A 5 0.552 -3.353 5.929 1.00 4.41 C ATOM 70 C ARG A 5 -0.716 -3.714 6.706 1.00 55.21 C ATOM 71 O ARG A 5 -1.024 -4.887 6.910 1.00 2.32 O ATOM 72 CB ARG A 5 1.762 -3.374 6.860 1.00 43.21 C ATOM 73 CG ARG A 5 1.907 -4.655 7.646 1.00 10.11 C ATOM 74 CD ARG A 5 3.023 -4.551 8.667 1.00 45.24 C ATOM 75 NE ARG A 5 2.861 -3.381 9.531 1.00 44.21 N ATOM 76 CZ ARG A 5 3.066 -3.391 10.850 1.00 52.45 C ATOM 77 NH1 ARG A 5 3.396 -4.523 11.465 1.00 62.33 N ATOM 78 NH2 ARG A 5 2.937 -2.271 11.549 1.00 35.10 N ATOM 0 H ARG A 5 1.007 -1.323 5.820 1.00 32.31 H new ATOM 0 HA ARG A 5 0.670 -4.091 5.135 1.00 4.41 H new ATOM 0 HB2 ARG A 5 2.665 -3.217 6.270 1.00 43.21 H new ATOM 0 HB3 ARG A 5 1.687 -2.539 7.556 1.00 43.21 H new ATOM 0 HG2 ARG A 5 0.969 -4.882 8.152 1.00 10.11 H new ATOM 0 HG3 ARG A 5 2.110 -5.481 6.965 1.00 10.11 H new ATOM 0 HD2 ARG A 5 3.043 -5.454 9.277 1.00 45.24 H new ATOM 0 HD3 ARG A 5 3.982 -4.493 8.153 1.00 45.24 H new ATOM 0 HE ARG A 5 2.574 -2.503 9.098 1.00 44.21 H new ATOM 0 HH11 ARG A 5 3.493 -5.385 10.929 1.00 62.33 H new ATOM 0 HH12 ARG A 5 3.552 -4.529 12.473 1.00 62.33 H new ATOM 0 HH21 ARG A 5 2.681 -1.403 11.079 1.00 35.10 H new ATOM 0 HH22 ARG A 5 3.093 -2.278 12.557 1.00 35.10 H new ATOM 92 N ASP A 6 -1.444 -2.697 7.143 1.00 63.53 N ATOM 93 CA ASP A 6 -2.624 -2.906 7.975 1.00 74.50 C ATOM 94 C ASP A 6 -3.847 -3.250 7.135 1.00 45.43 C ATOM 95 O ASP A 6 -4.873 -3.682 7.668 1.00 32.14 O ATOM 96 CB ASP A 6 -2.914 -1.669 8.829 1.00 12.03 C ATOM 97 CG ASP A 6 -1.869 -1.437 9.899 1.00 43.52 C ATOM 98 OD1 ASP A 6 -0.980 -0.586 9.694 1.00 62.25 O ATOM 99 OD2 ASP A 6 -1.932 -2.104 10.955 1.00 2.22 O ATOM 0 H ASP A 6 -1.240 -1.719 6.937 1.00 63.53 H new ATOM 0 HA ASP A 6 -2.410 -3.750 8.631 1.00 74.50 H new ATOM 0 HB2 ASP A 6 -2.968 -0.792 8.184 1.00 12.03 H new ATOM 0 HB3 ASP A 6 -3.891 -1.779 9.300 1.00 12.03 H new ATOM 105 N ALA A 7 -3.740 -3.061 5.826 1.00 62.24 N ATOM 106 CA ALA A 7 -4.841 -3.358 4.919 1.00 24.35 C ATOM 107 C ALA A 7 -4.895 -4.848 4.598 1.00 2.50 C ATOM 108 O ALA A 7 -3.870 -5.528 4.574 1.00 52.52 O ATOM 109 CB ALA A 7 -4.712 -2.540 3.644 1.00 31.42 C ATOM 0 H ALA A 7 -2.901 -2.703 5.369 1.00 62.24 H new ATOM 0 HA ALA A 7 -5.774 -3.086 5.413 1.00 24.35 H new ATOM 0 HB1 ALA A 7 -5.542 -2.773 2.977 1.00 31.42 H new ATOM 0 HB2 ALA A 7 -4.731 -1.478 3.889 1.00 31.42 H new ATOM 0 HB3 ALA A 7 -3.771 -2.782 3.150 1.00 31.42 H new ATOM 115 N LYS A 8 -6.098 -5.355 4.366 1.00 61.03 N ATOM 116 CA LYS A 8 -6.282 -6.771 4.082 1.00 72.22 C ATOM 117 C LYS A 8 -6.475 -7.004 2.589 1.00 23.11 C ATOM 118 O LYS A 8 -6.639 -6.056 1.815 1.00 71.15 O ATOM 119 CB LYS A 8 -7.484 -7.325 4.852 1.00 65.20 C ATOM 120 CG LYS A 8 -7.391 -7.138 6.360 1.00 62.40 C ATOM 121 CD LYS A 8 -6.190 -7.865 6.944 1.00 50.53 C ATOM 122 CE LYS A 8 -6.105 -7.685 8.451 1.00 33.00 C ATOM 123 NZ LYS A 8 -7.267 -8.291 9.156 1.00 71.32 N ATOM 0 H LYS A 8 -6.959 -4.808 4.369 1.00 61.03 H new ATOM 0 HA LYS A 8 -5.383 -7.295 4.405 1.00 72.22 H new ATOM 0 HB2 LYS A 8 -8.390 -6.838 4.491 1.00 65.20 H new ATOM 0 HB3 LYS A 8 -7.584 -8.388 4.633 1.00 65.20 H new ATOM 0 HG2 LYS A 8 -7.321 -6.075 6.591 1.00 62.40 H new ATOM 0 HG3 LYS A 8 -8.303 -7.507 6.829 1.00 62.40 H new ATOM 0 HD2 LYS A 8 -6.256 -8.927 6.707 1.00 50.53 H new ATOM 0 HD3 LYS A 8 -5.277 -7.491 6.480 1.00 50.53 H new ATOM 0 HE2 LYS A 8 -5.184 -8.137 8.818 1.00 33.00 H new ATOM 0 HE3 LYS A 8 -6.054 -6.622 8.686 1.00 33.00 H new ATOM 0 HZ1 LYS A 8 -7.073 -8.327 10.177 1.00 71.32 H new ATOM 0 HZ2 LYS A 8 -8.116 -7.715 8.984 1.00 71.32 H new ATOM 0 HZ3 LYS A 8 -7.425 -9.255 8.800 1.00 71.32 H new ATOM 137 N CYS A 9 -6.462 -8.272 2.196 1.00 13.44 N ATOM 138 CA CYS A 9 -6.625 -8.658 0.803 1.00 72.41 C ATOM 139 C CYS A 9 -8.009 -8.285 0.279 1.00 64.41 C ATOM 140 O CYS A 9 -9.005 -8.947 0.582 1.00 5.22 O ATOM 141 CB CYS A 9 -6.382 -10.161 0.656 1.00 4.34 C ATOM 142 SG CYS A 9 -7.021 -11.145 2.032 1.00 31.22 S ATOM 0 H CYS A 9 -6.338 -9.059 2.834 1.00 13.44 H new ATOM 0 HA CYS A 9 -5.893 -8.114 0.206 1.00 72.41 H new ATOM 0 HB2 CYS A 9 -6.844 -10.505 -0.269 1.00 4.34 H new ATOM 0 HB3 CYS A 9 -5.311 -10.338 0.562 1.00 4.34 H new ATOM 0 HG CYS A 9 -6.771 -12.403 1.819 1.00 31.22 H new ATOM 148 N GLY A 10 -8.061 -7.218 -0.505 1.00 60.33 N ATOM 149 CA GLY A 10 -9.322 -6.741 -1.039 1.00 5.33 C ATOM 150 C GLY A 10 -9.585 -5.292 -0.675 1.00 4.52 C ATOM 151 O GLY A 10 -10.322 -4.591 -1.369 1.00 72.43 O ATOM 0 H GLY A 10 -7.247 -6.670 -0.783 1.00 60.33 H new ATOM 0 HA2 GLY A 10 -9.319 -6.847 -2.124 1.00 5.33 H new ATOM 0 HA3 GLY A 10 -10.134 -7.362 -0.660 1.00 5.33 H new ATOM 155 N GLN A 11 -8.977 -4.840 0.412 1.00 34.51 N ATOM 156 CA GLN A 11 -9.140 -3.466 0.872 1.00 31.13 C ATOM 157 C GLN A 11 -8.418 -2.503 -0.055 1.00 23.22 C ATOM 158 O GLN A 11 -7.224 -2.651 -0.309 1.00 43.01 O ATOM 159 CB GLN A 11 -8.621 -3.302 2.304 1.00 0.35 C ATOM 160 CG GLN A 11 -9.661 -3.587 3.381 1.00 35.43 C ATOM 161 CD GLN A 11 -10.218 -4.997 3.327 1.00 65.24 C ATOM 162 OE1 GLN A 11 -9.542 -5.936 2.912 1.00 5.22 O ATOM 163 NE2 GLN A 11 -11.457 -5.156 3.759 1.00 70.52 N ATOM 0 H GLN A 11 -8.363 -5.407 0.996 1.00 34.51 H new ATOM 0 HA GLN A 11 -10.205 -3.234 0.862 1.00 31.13 H new ATOM 0 HB2 GLN A 11 -7.771 -3.969 2.449 1.00 0.35 H new ATOM 0 HB3 GLN A 11 -8.252 -2.284 2.431 1.00 0.35 H new ATOM 0 HG2 GLN A 11 -9.213 -3.419 4.361 1.00 35.43 H new ATOM 0 HG3 GLN A 11 -10.482 -2.877 3.280 1.00 35.43 H new ATOM 0 HE21 GLN A 11 -11.987 -4.352 4.096 1.00 70.52 H new ATOM 0 HE22 GLN A 11 -11.883 -6.083 3.755 1.00 70.52 H new ATOM 172 N THR A 12 -9.157 -1.533 -0.566 1.00 72.35 N ATOM 173 CA THR A 12 -8.601 -0.529 -1.452 1.00 3.24 C ATOM 174 C THR A 12 -8.303 0.750 -0.680 1.00 51.15 C ATOM 175 O THR A 12 -9.218 1.444 -0.231 1.00 62.32 O ATOM 176 CB THR A 12 -9.573 -0.218 -2.604 1.00 45.14 C ATOM 177 OG1 THR A 12 -10.047 -1.444 -3.179 1.00 54.24 O ATOM 178 CG2 THR A 12 -8.892 0.619 -3.678 1.00 50.21 C ATOM 0 H THR A 12 -10.153 -1.421 -0.379 1.00 72.35 H new ATOM 0 HA THR A 12 -7.675 -0.924 -1.869 1.00 3.24 H new ATOM 0 HB THR A 12 -10.412 0.350 -2.203 1.00 45.14 H new ATOM 0 HG1 THR A 12 -10.667 -1.244 -3.911 1.00 54.24 H new ATOM 0 HG21 THR A 12 -9.599 0.826 -4.481 1.00 50.21 H new ATOM 0 HG22 THR A 12 -8.550 1.559 -3.245 1.00 50.21 H new ATOM 0 HG23 THR A 12 -8.038 0.072 -4.078 1.00 50.21 H new ATOM 186 N VAL A 13 -7.026 1.043 -0.513 1.00 2.41 N ATOM 187 CA VAL A 13 -6.599 2.242 0.191 1.00 55.54 C ATOM 188 C VAL A 13 -5.905 3.204 -0.770 1.00 12.00 C ATOM 189 O VAL A 13 -5.623 2.856 -1.915 1.00 45.03 O ATOM 190 CB VAL A 13 -5.631 1.906 1.349 1.00 52.54 C ATOM 191 CG1 VAL A 13 -6.292 0.990 2.366 1.00 54.14 C ATOM 192 CG2 VAL A 13 -4.358 1.272 0.819 1.00 65.31 C ATOM 0 H VAL A 13 -6.261 0.463 -0.857 1.00 2.41 H new ATOM 0 HA VAL A 13 -7.493 2.709 0.605 1.00 55.54 H new ATOM 0 HB VAL A 13 -5.373 2.840 1.848 1.00 52.54 H new ATOM 0 HG11 VAL A 13 -5.589 0.770 3.169 1.00 54.14 H new ATOM 0 HG12 VAL A 13 -7.173 1.481 2.780 1.00 54.14 H new ATOM 0 HG13 VAL A 13 -6.589 0.061 1.880 1.00 54.14 H new ATOM 0 HG21 VAL A 13 -3.692 1.044 1.651 1.00 65.31 H new ATOM 0 HG22 VAL A 13 -4.603 0.352 0.288 1.00 65.31 H new ATOM 0 HG23 VAL A 13 -3.864 1.964 0.137 1.00 65.31 H new ATOM 202 N LYS A 14 -5.642 4.412 -0.303 1.00 33.33 N ATOM 203 CA LYS A 14 -4.953 5.411 -1.105 1.00 41.43 C ATOM 204 C LYS A 14 -3.805 6.018 -0.301 1.00 41.00 C ATOM 205 O LYS A 14 -4.000 6.451 0.836 1.00 2.24 O ATOM 206 CB LYS A 14 -5.957 6.484 -1.557 1.00 35.05 C ATOM 207 CG LYS A 14 -5.377 7.561 -2.468 1.00 43.34 C ATOM 208 CD LYS A 14 -4.868 8.757 -1.679 1.00 35.42 C ATOM 209 CE LYS A 14 -5.989 9.456 -0.925 1.00 34.45 C ATOM 210 NZ LYS A 14 -6.995 10.060 -1.841 1.00 75.30 N ATOM 0 H LYS A 14 -5.896 4.727 0.633 1.00 33.33 H new ATOM 0 HA LYS A 14 -4.527 4.947 -1.995 1.00 41.43 H new ATOM 0 HB2 LYS A 14 -6.781 5.994 -2.076 1.00 35.05 H new ATOM 0 HB3 LYS A 14 -6.377 6.964 -0.673 1.00 35.05 H new ATOM 0 HG2 LYS A 14 -4.561 7.139 -3.055 1.00 43.34 H new ATOM 0 HG3 LYS A 14 -6.140 7.890 -3.173 1.00 43.34 H new ATOM 0 HD2 LYS A 14 -4.105 8.429 -0.973 1.00 35.42 H new ATOM 0 HD3 LYS A 14 -4.391 9.464 -2.358 1.00 35.42 H new ATOM 0 HE2 LYS A 14 -6.483 8.741 -0.268 1.00 34.45 H new ATOM 0 HE3 LYS A 14 -5.566 10.234 -0.289 1.00 34.45 H new ATOM 0 HZ1 LYS A 14 -7.642 10.665 -1.296 1.00 75.30 H new ATOM 0 HZ2 LYS A 14 -6.510 10.633 -2.561 1.00 75.30 H new ATOM 0 HZ3 LYS A 14 -7.537 9.305 -2.307 1.00 75.30 H new ATOM 224 N VAL A 15 -2.612 6.029 -0.886 1.00 71.14 N ATOM 225 CA VAL A 15 -1.424 6.541 -0.204 1.00 24.12 C ATOM 226 C VAL A 15 -1.496 8.056 -0.053 1.00 42.21 C ATOM 227 O VAL A 15 -1.717 8.776 -1.028 1.00 33.33 O ATOM 228 CB VAL A 15 -0.128 6.171 -0.958 1.00 24.52 C ATOM 229 CG1 VAL A 15 1.089 6.730 -0.243 1.00 62.11 C ATOM 230 CG2 VAL A 15 -0.005 4.665 -1.106 1.00 13.32 C ATOM 0 H VAL A 15 -2.440 5.689 -1.832 1.00 71.14 H new ATOM 0 HA VAL A 15 -1.400 6.075 0.781 1.00 24.12 H new ATOM 0 HB VAL A 15 -0.178 6.614 -1.953 1.00 24.52 H new ATOM 0 HG11 VAL A 15 1.990 6.457 -0.792 1.00 62.11 H new ATOM 0 HG12 VAL A 15 1.012 7.816 -0.188 1.00 62.11 H new ATOM 0 HG13 VAL A 15 1.139 6.319 0.765 1.00 62.11 H new ATOM 0 HG21 VAL A 15 0.915 4.426 -1.640 1.00 13.32 H new ATOM 0 HG22 VAL A 15 0.018 4.203 -0.119 1.00 13.32 H new ATOM 0 HG23 VAL A 15 -0.859 4.283 -1.666 1.00 13.32 H new ATOM 240 N VAL A 16 -1.308 8.530 1.170 1.00 32.43 N ATOM 241 CA VAL A 16 -1.395 9.956 1.453 1.00 0.23 C ATOM 242 C VAL A 16 -0.061 10.534 1.902 1.00 51.14 C ATOM 243 O VAL A 16 0.268 11.675 1.579 1.00 52.54 O ATOM 244 CB VAL A 16 -2.464 10.263 2.523 1.00 34.41 C ATOM 245 CG1 VAL A 16 -3.856 10.179 1.925 1.00 64.33 C ATOM 246 CG2 VAL A 16 -2.343 9.315 3.709 1.00 64.14 C ATOM 0 H VAL A 16 -1.095 7.950 1.981 1.00 32.43 H new ATOM 0 HA VAL A 16 -1.683 10.429 0.514 1.00 0.23 H new ATOM 0 HB VAL A 16 -2.296 11.279 2.881 1.00 34.41 H new ATOM 0 HG11 VAL A 16 -4.596 10.398 2.694 1.00 64.33 H new ATOM 0 HG12 VAL A 16 -3.948 10.903 1.115 1.00 64.33 H new ATOM 0 HG13 VAL A 16 -4.025 9.175 1.535 1.00 64.33 H new ATOM 0 HG21 VAL A 16 -3.109 9.555 4.446 1.00 64.14 H new ATOM 0 HG22 VAL A 16 -2.476 8.288 3.369 1.00 64.14 H new ATOM 0 HG23 VAL A 16 -1.357 9.422 4.162 1.00 64.14 H new ATOM 256 N LYS A 17 0.701 9.755 2.645 1.00 2.34 N ATOM 257 CA LYS A 17 1.980 10.218 3.155 1.00 45.32 C ATOM 258 C LYS A 17 3.003 9.092 3.104 1.00 21.13 C ATOM 259 O LYS A 17 2.656 7.919 3.219 1.00 2.34 O ATOM 260 CB LYS A 17 1.811 10.731 4.591 1.00 24.23 C ATOM 261 CG LYS A 17 2.972 11.575 5.094 1.00 3.14 C ATOM 262 CD LYS A 17 2.659 12.207 6.444 1.00 44.34 C ATOM 263 CE LYS A 17 2.483 11.159 7.536 1.00 54.31 C ATOM 264 NZ LYS A 17 2.057 11.767 8.824 1.00 64.33 N ATOM 0 H LYS A 17 0.459 8.800 2.909 1.00 2.34 H new ATOM 0 HA LYS A 17 2.340 11.037 2.532 1.00 45.32 H new ATOM 0 HB2 LYS A 17 0.896 11.321 4.648 1.00 24.23 H new ATOM 0 HB3 LYS A 17 1.682 9.878 5.257 1.00 24.23 H new ATOM 0 HG2 LYS A 17 3.864 10.954 5.180 1.00 3.14 H new ATOM 0 HG3 LYS A 17 3.196 12.357 4.368 1.00 3.14 H new ATOM 0 HD2 LYS A 17 3.464 12.888 6.721 1.00 44.34 H new ATOM 0 HD3 LYS A 17 1.750 12.803 6.364 1.00 44.34 H new ATOM 0 HE2 LYS A 17 1.743 10.425 7.219 1.00 54.31 H new ATOM 0 HE3 LYS A 17 3.421 10.624 7.680 1.00 54.31 H new ATOM 0 HZ1 LYS A 17 1.948 11.021 9.541 1.00 64.33 H new ATOM 0 HZ2 LYS A 17 2.775 12.449 9.140 1.00 64.33 H new ATOM 0 HZ3 LYS A 17 1.149 12.256 8.693 1.00 64.33 H new ATOM 278 N LEU A 18 4.257 9.442 2.912 1.00 35.51 N ATOM 279 CA LEU A 18 5.319 8.454 2.879 1.00 42.21 C ATOM 280 C LEU A 18 6.334 8.745 3.977 1.00 65.40 C ATOM 281 O LEU A 18 6.963 9.802 3.987 1.00 42.31 O ATOM 282 CB LEU A 18 5.979 8.436 1.498 1.00 3.30 C ATOM 283 CG LEU A 18 5.044 8.032 0.349 1.00 72.21 C ATOM 284 CD1 LEU A 18 5.724 8.222 -0.996 1.00 1.42 C ATOM 285 CD2 LEU A 18 4.598 6.586 0.512 1.00 61.11 C ATOM 0 H LEU A 18 4.568 10.404 2.776 1.00 35.51 H new ATOM 0 HA LEU A 18 4.899 7.465 3.061 1.00 42.21 H new ATOM 0 HB2 LEU A 18 6.383 9.427 1.290 1.00 3.30 H new ATOM 0 HB3 LEU A 18 6.823 7.747 1.522 1.00 3.30 H new ATOM 0 HG LEU A 18 4.167 8.678 0.383 1.00 72.21 H new ATOM 0 HD11 LEU A 18 5.041 7.929 -1.794 1.00 1.42 H new ATOM 0 HD12 LEU A 18 5.999 9.270 -1.120 1.00 1.42 H new ATOM 0 HD13 LEU A 18 6.621 7.604 -1.041 1.00 1.42 H new ATOM 0 HD21 LEU A 18 3.936 6.315 -0.310 1.00 61.11 H new ATOM 0 HD22 LEU A 18 5.471 5.933 0.506 1.00 61.11 H new ATOM 0 HD23 LEU A 18 4.068 6.473 1.458 1.00 61.11 H new ATOM 297 N HIS A 19 6.470 7.804 4.905 1.00 0.50 N ATOM 298 CA HIS A 19 7.323 7.986 6.079 1.00 24.45 C ATOM 299 C HIS A 19 8.794 7.902 5.706 1.00 43.25 C ATOM 300 O HIS A 19 9.636 8.538 6.339 1.00 14.32 O ATOM 301 CB HIS A 19 7.025 6.929 7.146 1.00 53.34 C ATOM 302 CG HIS A 19 5.699 7.069 7.830 1.00 13.33 C ATOM 303 ND1 HIS A 19 5.383 6.380 8.979 1.00 51.11 N ATOM 304 CD2 HIS A 19 4.610 7.816 7.532 1.00 55.14 C ATOM 305 CE1 HIS A 19 4.160 6.691 9.356 1.00 21.21 C ATOM 306 NE2 HIS A 19 3.668 7.561 8.498 1.00 53.33 N ATOM 0 H HIS A 19 5.998 6.901 4.868 1.00 0.50 H new ATOM 0 HA HIS A 19 7.107 8.977 6.479 1.00 24.45 H new ATOM 0 HB2 HIS A 19 7.074 5.944 6.682 1.00 53.34 H new ATOM 0 HB3 HIS A 19 7.811 6.966 7.901 1.00 53.34 H new ATOM 0 HD2 HIS A 19 4.502 8.487 6.692 1.00 55.14 H new ATOM 0 HE1 HIS A 19 3.647 6.299 10.222 1.00 21.21 H new ATOM 0 HE2 HIS A 19 2.738 7.978 8.544 1.00 53.33 H new ATOM 315 N GLY A 20 9.092 7.097 4.689 1.00 63.12 N ATOM 316 CA GLY A 20 10.464 6.927 4.252 1.00 32.15 C ATOM 317 C GLY A 20 11.109 8.248 3.894 1.00 75.11 C ATOM 318 O GLY A 20 10.594 8.981 3.054 1.00 43.24 O ATOM 0 H GLY A 20 8.405 6.559 4.160 1.00 63.12 H new ATOM 0 HA2 GLY A 20 11.040 6.444 5.042 1.00 32.15 H new ATOM 0 HA3 GLY A 20 10.490 6.264 3.387 1.00 32.15 H new ATOM 322 N THR A 21 12.223 8.561 4.538 1.00 11.24 N ATOM 323 CA THR A 21 12.877 9.843 4.343 1.00 41.23 C ATOM 324 C THR A 21 13.526 9.945 2.961 1.00 33.11 C ATOM 325 O THR A 21 14.700 9.617 2.778 1.00 13.41 O ATOM 326 CB THR A 21 13.925 10.098 5.440 1.00 54.23 C ATOM 327 OG1 THR A 21 13.334 9.864 6.729 1.00 10.32 O ATOM 328 CG2 THR A 21 14.448 11.528 5.371 1.00 53.21 C ATOM 0 H THR A 21 12.692 7.943 5.200 1.00 11.24 H new ATOM 0 HA THR A 21 12.105 10.610 4.409 1.00 41.23 H new ATOM 0 HB THR A 21 14.762 9.417 5.285 1.00 54.23 H new ATOM 0 HG1 THR A 21 14.001 10.024 7.429 1.00 10.32 H new ATOM 0 HG21 THR A 21 15.187 11.683 6.157 1.00 53.21 H new ATOM 0 HG22 THR A 21 14.910 11.700 4.399 1.00 53.21 H new ATOM 0 HG23 THR A 21 13.621 12.225 5.508 1.00 53.21 H new ATOM 336 N GLY A 22 12.719 10.352 1.989 1.00 50.40 N ATOM 337 CA GLY A 22 13.202 10.647 0.653 1.00 3.42 C ATOM 338 C GLY A 22 13.595 9.419 -0.150 1.00 4.15 C ATOM 339 O GLY A 22 12.861 9.004 -1.043 1.00 10.20 O ATOM 0 H GLY A 22 11.715 10.485 2.108 1.00 50.40 H new ATOM 0 HA2 GLY A 22 12.428 11.190 0.110 1.00 3.42 H new ATOM 0 HA3 GLY A 22 14.064 11.310 0.728 1.00 3.42 H new ATOM 343 N ALA A 23 14.742 8.835 0.165 1.00 4.14 N ATOM 344 CA ALA A 23 15.252 7.686 -0.577 1.00 3.31 C ATOM 345 C ALA A 23 14.245 6.543 -0.570 1.00 4.31 C ATOM 346 O ALA A 23 13.926 5.971 -1.611 1.00 62.35 O ATOM 347 CB ALA A 23 16.574 7.223 0.011 1.00 70.15 C ATOM 0 H ALA A 23 15.341 9.138 0.933 1.00 4.14 H new ATOM 0 HA ALA A 23 15.413 7.994 -1.610 1.00 3.31 H new ATOM 0 HB1 ALA A 23 16.942 6.366 -0.552 1.00 70.15 H new ATOM 0 HB2 ALA A 23 17.301 8.033 -0.045 1.00 70.15 H new ATOM 0 HB3 ALA A 23 16.429 6.937 1.053 1.00 70.15 H new ATOM 353 N LEU A 24 13.729 6.232 0.610 1.00 24.22 N ATOM 354 CA LEU A 24 12.781 5.138 0.764 1.00 44.05 C ATOM 355 C LEU A 24 11.454 5.489 0.087 1.00 30.00 C ATOM 356 O LEU A 24 10.856 4.658 -0.597 1.00 40.05 O ATOM 357 CB LEU A 24 12.579 4.838 2.260 1.00 40.00 C ATOM 358 CG LEU A 24 12.026 3.446 2.610 1.00 30.34 C ATOM 359 CD1 LEU A 24 10.551 3.324 2.253 1.00 62.13 C ATOM 360 CD2 LEU A 24 12.833 2.361 1.910 1.00 51.11 C ATOM 0 H LEU A 24 13.951 6.723 1.476 1.00 24.22 H new ATOM 0 HA LEU A 24 13.176 4.244 0.282 1.00 44.05 H new ATOM 0 HB2 LEU A 24 13.537 4.962 2.766 1.00 40.00 H new ATOM 0 HB3 LEU A 24 11.902 5.588 2.670 1.00 40.00 H new ATOM 0 HG LEU A 24 12.119 3.315 3.688 1.00 30.34 H new ATOM 0 HD11 LEU A 24 10.195 2.328 2.514 1.00 62.13 H new ATOM 0 HD12 LEU A 24 9.980 4.070 2.806 1.00 62.13 H new ATOM 0 HD13 LEU A 24 10.421 3.487 1.183 1.00 62.13 H new ATOM 0 HD21 LEU A 24 12.428 1.383 2.169 1.00 51.11 H new ATOM 0 HD22 LEU A 24 12.776 2.504 0.831 1.00 51.11 H new ATOM 0 HD23 LEU A 24 13.874 2.419 2.229 1.00 51.11 H new ATOM 372 N LYS A 25 11.017 6.733 0.246 1.00 2.21 N ATOM 373 CA LYS A 25 9.734 7.163 -0.297 1.00 20.22 C ATOM 374 C LYS A 25 9.786 7.244 -1.822 1.00 5.32 C ATOM 375 O LYS A 25 8.773 7.075 -2.499 1.00 41.11 O ATOM 376 CB LYS A 25 9.311 8.503 0.322 1.00 10.34 C ATOM 377 CG LYS A 25 10.133 9.698 -0.095 1.00 22.42 C ATOM 378 CD LYS A 25 9.411 10.541 -1.127 1.00 2.32 C ATOM 379 CE LYS A 25 10.165 11.828 -1.382 1.00 10.14 C ATOM 380 NZ LYS A 25 9.443 12.731 -2.312 1.00 21.44 N ATOM 0 H LYS A 25 11.530 7.460 0.745 1.00 2.21 H new ATOM 0 HA LYS A 25 8.981 6.419 -0.035 1.00 20.22 H new ATOM 0 HB2 LYS A 25 8.269 8.691 0.062 1.00 10.34 H new ATOM 0 HB3 LYS A 25 9.357 8.413 1.407 1.00 10.34 H new ATOM 0 HG2 LYS A 25 10.359 10.308 0.780 1.00 22.42 H new ATOM 0 HG3 LYS A 25 11.086 9.360 -0.503 1.00 22.42 H new ATOM 0 HD2 LYS A 25 9.311 9.981 -2.057 1.00 2.32 H new ATOM 0 HD3 LYS A 25 8.402 10.766 -0.780 1.00 2.32 H new ATOM 0 HE2 LYS A 25 10.331 12.343 -0.436 1.00 10.14 H new ATOM 0 HE3 LYS A 25 11.147 11.595 -1.795 1.00 10.14 H new ATOM 0 HZ1 LYS A 25 9.999 13.598 -2.455 1.00 21.44 H new ATOM 0 HZ2 LYS A 25 9.307 12.252 -3.225 1.00 21.44 H new ATOM 0 HZ3 LYS A 25 8.516 12.976 -1.908 1.00 21.44 H new ATOM 394 N ARG A 26 10.974 7.491 -2.359 1.00 4.54 N ATOM 395 CA ARG A 26 11.163 7.530 -3.803 1.00 53.24 C ATOM 396 C ARG A 26 11.212 6.106 -4.349 1.00 2.24 C ATOM 397 O ARG A 26 10.705 5.828 -5.435 1.00 12.23 O ATOM 398 CB ARG A 26 12.453 8.283 -4.147 1.00 12.14 C ATOM 399 CG ARG A 26 12.386 9.076 -5.445 1.00 4.02 C ATOM 400 CD ARG A 26 12.230 8.179 -6.662 1.00 54.41 C ATOM 401 NE ARG A 26 11.902 8.945 -7.860 1.00 23.54 N ATOM 402 CZ ARG A 26 11.286 8.438 -8.923 1.00 63.13 C ATOM 403 NH1 ARG A 26 11.011 7.141 -8.984 1.00 12.35 N ATOM 404 NH2 ARG A 26 10.973 9.233 -9.936 1.00 14.33 N ATOM 0 H ARG A 26 11.820 7.667 -1.817 1.00 4.54 H new ATOM 0 HA ARG A 26 10.327 8.057 -4.263 1.00 53.24 H new ATOM 0 HB2 ARG A 26 12.692 8.964 -3.330 1.00 12.14 H new ATOM 0 HB3 ARG A 26 13.272 7.567 -4.214 1.00 12.14 H new ATOM 0 HG2 ARG A 26 11.549 9.772 -5.400 1.00 4.02 H new ATOM 0 HG3 ARG A 26 13.292 9.673 -5.550 1.00 4.02 H new ATOM 0 HD2 ARG A 26 13.154 7.625 -6.826 1.00 54.41 H new ATOM 0 HD3 ARG A 26 11.447 7.444 -6.474 1.00 54.41 H new ATOM 0 HE ARG A 26 12.162 9.931 -7.883 1.00 23.54 H new ATOM 0 HH11 ARG A 26 11.273 6.527 -8.212 1.00 12.35 H new ATOM 0 HH12 ARG A 26 10.538 6.758 -9.802 1.00 12.35 H new ATOM 0 HH21 ARG A 26 11.205 10.225 -9.896 1.00 14.33 H new ATOM 0 HH22 ARG A 26 10.500 8.852 -10.756 1.00 14.33 H new ATOM 418 N ARG A 27 11.812 5.211 -3.572 1.00 54.11 N ATOM 419 CA ARG A 27 11.939 3.807 -3.951 1.00 74.02 C ATOM 420 C ARG A 27 10.565 3.189 -4.200 1.00 64.52 C ATOM 421 O ARG A 27 10.363 2.487 -5.187 1.00 25.20 O ATOM 422 CB ARG A 27 12.656 3.037 -2.841 1.00 1.11 C ATOM 423 CG ARG A 27 13.734 2.089 -3.336 1.00 51.32 C ATOM 424 CD ARG A 27 14.914 2.850 -3.915 1.00 63.45 C ATOM 425 NE ARG A 27 16.076 1.981 -4.100 1.00 31.54 N ATOM 426 CZ ARG A 27 17.338 2.399 -4.025 1.00 14.11 C ATOM 427 NH1 ARG A 27 17.613 3.687 -3.853 1.00 61.34 N ATOM 428 NH2 ARG A 27 18.336 1.531 -4.135 1.00 73.13 N ATOM 0 H ARG A 27 12.223 5.436 -2.666 1.00 54.11 H new ATOM 0 HA ARG A 27 12.519 3.747 -4.872 1.00 74.02 H new ATOM 0 HB2 ARG A 27 13.105 3.751 -2.151 1.00 1.11 H new ATOM 0 HB3 ARG A 27 11.919 2.467 -2.275 1.00 1.11 H new ATOM 0 HG2 ARG A 27 14.073 1.459 -2.514 1.00 51.32 H new ATOM 0 HG3 ARG A 27 13.318 1.426 -4.095 1.00 51.32 H new ATOM 0 HD2 ARG A 27 14.631 3.289 -4.872 1.00 63.45 H new ATOM 0 HD3 ARG A 27 15.177 3.674 -3.252 1.00 63.45 H new ATOM 0 HE ARG A 27 15.909 0.994 -4.299 1.00 31.54 H new ATOM 0 HH11 ARG A 27 16.855 4.365 -3.777 1.00 61.34 H new ATOM 0 HH12 ARG A 27 18.583 3.998 -3.797 1.00 61.34 H new ATOM 0 HH21 ARG A 27 18.137 0.541 -4.277 1.00 73.13 H new ATOM 0 HH22 ARG A 27 19.302 1.854 -4.077 1.00 73.13 H new ATOM 442 N ILE A 28 9.625 3.462 -3.297 1.00 65.34 N ATOM 443 CA ILE A 28 8.251 2.984 -3.435 1.00 52.21 C ATOM 444 C ILE A 28 7.644 3.480 -4.748 1.00 25.15 C ATOM 445 O ILE A 28 6.954 2.738 -5.455 1.00 24.44 O ATOM 446 CB ILE A 28 7.373 3.459 -2.256 1.00 64.11 C ATOM 447 CG1 ILE A 28 8.032 3.093 -0.922 1.00 2.31 C ATOM 448 CG2 ILE A 28 5.982 2.846 -2.349 1.00 14.21 C ATOM 449 CD1 ILE A 28 7.309 3.649 0.285 1.00 3.43 C ATOM 0 H ILE A 28 9.792 4.016 -2.457 1.00 65.34 H new ATOM 0 HA ILE A 28 8.279 1.894 -3.434 1.00 52.21 H new ATOM 0 HB ILE A 28 7.276 4.543 -2.309 1.00 64.11 H new ATOM 0 HG12 ILE A 28 8.082 2.007 -0.837 1.00 2.31 H new ATOM 0 HG13 ILE A 28 9.058 3.460 -0.921 1.00 2.31 H new ATOM 0 HG21 ILE A 28 5.376 3.191 -1.511 1.00 14.21 H new ATOM 0 HG22 ILE A 28 5.513 3.149 -3.285 1.00 14.21 H new ATOM 0 HG23 ILE A 28 6.060 1.759 -2.317 1.00 14.21 H new ATOM 0 HD11 ILE A 28 7.833 3.349 1.193 1.00 3.43 H new ATOM 0 HD12 ILE A 28 7.282 4.737 0.224 1.00 3.43 H new ATOM 0 HD13 ILE A 28 6.290 3.262 0.309 1.00 3.43 H new ATOM 461 N MET A 29 7.935 4.735 -5.076 1.00 62.43 N ATOM 462 CA MET A 29 7.442 5.357 -6.302 1.00 0.51 C ATOM 463 C MET A 29 8.006 4.656 -7.532 1.00 2.01 C ATOM 464 O MET A 29 7.361 4.608 -8.581 1.00 53.04 O ATOM 465 CB MET A 29 7.819 6.840 -6.336 1.00 33.43 C ATOM 466 CG MET A 29 7.180 7.663 -5.231 1.00 55.24 C ATOM 467 SD MET A 29 7.739 9.379 -5.239 1.00 0.15 S ATOM 468 CE MET A 29 6.745 10.063 -3.915 1.00 71.21 C ATOM 0 H MET A 29 8.516 5.347 -4.503 1.00 62.43 H new ATOM 0 HA MET A 29 6.356 5.262 -6.314 1.00 0.51 H new ATOM 0 HB2 MET A 29 8.903 6.931 -6.263 1.00 33.43 H new ATOM 0 HB3 MET A 29 7.528 7.257 -7.300 1.00 33.43 H new ATOM 0 HG2 MET A 29 6.096 7.636 -5.343 1.00 55.24 H new ATOM 0 HG3 MET A 29 7.412 7.213 -4.266 1.00 55.24 H new ATOM 0 HE1 MET A 29 6.639 11.138 -4.058 1.00 71.21 H new ATOM 0 HE2 MET A 29 5.760 9.597 -3.922 1.00 71.21 H new ATOM 0 HE3 MET A 29 7.231 9.870 -2.958 1.00 71.21 H new ATOM 478 N ASP A 30 9.209 4.114 -7.394 1.00 33.14 N ATOM 479 CA ASP A 30 9.872 3.410 -8.485 1.00 60.44 C ATOM 480 C ASP A 30 9.115 2.147 -8.879 1.00 52.03 C ATOM 481 O ASP A 30 9.118 1.758 -10.048 1.00 20.30 O ATOM 482 CB ASP A 30 11.316 3.078 -8.110 1.00 23.54 C ATOM 483 CG ASP A 30 12.285 4.142 -8.579 1.00 21.44 C ATOM 484 OD1 ASP A 30 12.802 4.023 -9.708 1.00 71.23 O ATOM 485 OD2 ASP A 30 12.523 5.112 -7.829 1.00 54.53 O ATOM 0 H ASP A 30 9.750 4.149 -6.530 1.00 33.14 H new ATOM 0 HA ASP A 30 9.880 4.073 -9.350 1.00 60.44 H new ATOM 0 HB2 ASP A 30 11.393 2.969 -7.028 1.00 23.54 H new ATOM 0 HB3 ASP A 30 11.592 2.119 -8.547 1.00 23.54 H new ATOM 491 N MET A 31 8.452 1.515 -7.916 1.00 71.51 N ATOM 492 CA MET A 31 7.644 0.332 -8.210 1.00 72.53 C ATOM 493 C MET A 31 6.290 0.725 -8.796 1.00 55.23 C ATOM 494 O MET A 31 5.567 -0.118 -9.324 1.00 12.54 O ATOM 495 CB MET A 31 7.439 -0.537 -6.964 1.00 42.30 C ATOM 496 CG MET A 31 8.587 -1.497 -6.683 1.00 60.14 C ATOM 497 SD MET A 31 9.996 -0.712 -5.879 1.00 24.55 S ATOM 498 CE MET A 31 9.307 -0.362 -4.262 1.00 62.15 C ATOM 0 H MET A 31 8.456 1.796 -6.936 1.00 71.51 H new ATOM 0 HA MET A 31 8.192 -0.253 -8.948 1.00 72.53 H new ATOM 0 HB2 MET A 31 7.302 0.112 -6.099 1.00 42.30 H new ATOM 0 HB3 MET A 31 6.520 -1.111 -7.081 1.00 42.30 H new ATOM 0 HG2 MET A 31 8.225 -2.310 -6.053 1.00 60.14 H new ATOM 0 HG3 MET A 31 8.916 -1.943 -7.622 1.00 60.14 H new ATOM 0 HE1 MET A 31 9.897 0.415 -3.776 1.00 62.15 H new ATOM 0 HE2 MET A 31 8.277 -0.021 -4.371 1.00 62.15 H new ATOM 0 HE3 MET A 31 9.327 -1.267 -3.654 1.00 62.15 H new ATOM 508 N GLY A 32 5.952 2.001 -8.702 1.00 11.15 N ATOM 509 CA GLY A 32 4.704 2.475 -9.268 1.00 20.43 C ATOM 510 C GLY A 32 3.694 2.879 -8.213 1.00 72.51 C ATOM 511 O GLY A 32 2.555 3.214 -8.535 1.00 32.31 O ATOM 0 H GLY A 32 6.517 2.717 -8.245 1.00 11.15 H new ATOM 0 HA2 GLY A 32 4.906 3.328 -9.916 1.00 20.43 H new ATOM 0 HA3 GLY A 32 4.275 1.693 -9.894 1.00 20.43 H new ATOM 515 N ILE A 33 4.103 2.841 -6.953 1.00 54.12 N ATOM 516 CA ILE A 33 3.225 3.232 -5.859 1.00 41.32 C ATOM 517 C ILE A 33 3.629 4.602 -5.334 1.00 41.31 C ATOM 518 O ILE A 33 4.725 4.776 -4.803 1.00 22.54 O ATOM 519 CB ILE A 33 3.242 2.215 -4.686 1.00 11.42 C ATOM 520 CG1 ILE A 33 2.747 0.831 -5.128 1.00 32.15 C ATOM 521 CG2 ILE A 33 2.395 2.719 -3.524 1.00 3.10 C ATOM 522 CD1 ILE A 33 3.781 0.008 -5.867 1.00 10.15 C ATOM 0 H ILE A 33 5.035 2.544 -6.663 1.00 54.12 H new ATOM 0 HA ILE A 33 2.212 3.259 -6.261 1.00 41.32 H new ATOM 0 HB ILE A 33 4.277 2.117 -4.359 1.00 11.42 H new ATOM 0 HG12 ILE A 33 2.419 0.277 -4.248 1.00 32.15 H new ATOM 0 HG13 ILE A 33 1.874 0.957 -5.769 1.00 32.15 H new ATOM 0 HG21 ILE A 33 2.421 1.991 -2.713 1.00 3.10 H new ATOM 0 HG22 ILE A 33 2.792 3.671 -3.171 1.00 3.10 H new ATOM 0 HG23 ILE A 33 1.366 2.856 -3.856 1.00 3.10 H new ATOM 0 HD11 ILE A 33 3.350 -0.954 -6.143 1.00 10.15 H new ATOM 0 HD12 ILE A 33 4.092 0.538 -6.767 1.00 10.15 H new ATOM 0 HD13 ILE A 33 4.646 -0.153 -5.223 1.00 10.15 H new ATOM 534 N THR A 34 2.754 5.577 -5.495 1.00 65.24 N ATOM 535 CA THR A 34 3.028 6.915 -5.017 1.00 24.21 C ATOM 536 C THR A 34 1.774 7.520 -4.389 1.00 51.53 C ATOM 537 O THR A 34 0.680 6.954 -4.489 1.00 25.44 O ATOM 538 CB THR A 34 3.561 7.821 -6.156 1.00 42.12 C ATOM 539 OG1 THR A 34 3.935 9.109 -5.651 1.00 64.04 O ATOM 540 CG2 THR A 34 2.525 7.989 -7.256 1.00 23.51 C ATOM 0 H THR A 34 1.849 5.466 -5.953 1.00 65.24 H new ATOM 0 HA THR A 34 3.805 6.850 -4.255 1.00 24.21 H new ATOM 0 HB THR A 34 4.441 7.332 -6.575 1.00 42.12 H new ATOM 0 HG1 THR A 34 4.270 9.664 -6.386 1.00 64.04 H new ATOM 0 HG21 THR A 34 2.928 8.629 -8.041 1.00 23.51 H new ATOM 0 HG22 THR A 34 2.278 7.014 -7.675 1.00 23.51 H new ATOM 0 HG23 THR A 34 1.625 8.445 -6.842 1.00 23.51 H new ATOM 548 N ARG A 35 1.944 8.657 -3.733 1.00 44.02 N ATOM 549 CA ARG A 35 0.842 9.333 -3.062 1.00 61.12 C ATOM 550 C ARG A 35 -0.221 9.772 -4.060 1.00 65.32 C ATOM 551 O ARG A 35 0.083 10.380 -5.086 1.00 63.24 O ATOM 552 CB ARG A 35 1.356 10.538 -2.274 1.00 14.33 C ATOM 553 CG ARG A 35 2.359 11.382 -3.043 1.00 41.01 C ATOM 554 CD ARG A 35 2.656 12.691 -2.333 1.00 22.20 C ATOM 555 NE ARG A 35 1.514 13.598 -2.376 1.00 3.43 N ATOM 556 CZ ARG A 35 1.323 14.594 -1.514 1.00 10.14 C ATOM 557 NH1 ARG A 35 2.159 14.759 -0.497 1.00 41.23 N ATOM 558 NH2 ARG A 35 0.281 15.405 -1.658 1.00 65.11 N ATOM 0 H ARG A 35 2.841 9.135 -3.650 1.00 44.02 H new ATOM 0 HA ARG A 35 0.386 8.626 -2.369 1.00 61.12 H new ATOM 0 HB2 ARG A 35 0.510 11.163 -1.989 1.00 14.33 H new ATOM 0 HB3 ARG A 35 1.819 10.188 -1.351 1.00 14.33 H new ATOM 0 HG2 ARG A 35 3.284 10.820 -3.171 1.00 41.01 H new ATOM 0 HG3 ARG A 35 1.971 11.589 -4.040 1.00 41.01 H new ATOM 0 HD2 ARG A 35 2.923 12.490 -1.295 1.00 22.20 H new ATOM 0 HD3 ARG A 35 3.519 13.169 -2.797 1.00 22.20 H new ATOM 0 HE ARG A 35 0.820 13.461 -3.111 1.00 3.43 H new ATOM 0 HH11 ARG A 35 2.947 14.123 -0.376 1.00 41.23 H new ATOM 0 HH12 ARG A 35 2.014 15.522 0.164 1.00 41.23 H new ATOM 0 HH21 ARG A 35 -0.372 15.264 -2.429 1.00 65.11 H new ATOM 0 HH22 ARG A 35 0.134 16.168 -0.998 1.00 65.11 H new ATOM 572 N GLY A 36 -1.467 9.459 -3.746 1.00 42.41 N ATOM 573 CA GLY A 36 -2.565 9.797 -4.623 1.00 65.30 C ATOM 574 C GLY A 36 -3.087 8.594 -5.383 1.00 13.11 C ATOM 575 O GLY A 36 -4.196 8.624 -5.915 1.00 13.32 O ATOM 0 H GLY A 36 -1.739 8.973 -2.892 1.00 42.41 H new ATOM 0 HA2 GLY A 36 -3.374 10.232 -4.037 1.00 65.30 H new ATOM 0 HA3 GLY A 36 -2.239 10.558 -5.332 1.00 65.30 H new ATOM 579 N CYS A 37 -2.294 7.532 -5.434 1.00 73.14 N ATOM 580 CA CYS A 37 -2.689 6.321 -6.140 1.00 73.40 C ATOM 581 C CYS A 37 -3.466 5.384 -5.220 1.00 22.50 C ATOM 582 O CYS A 37 -3.307 5.422 -3.996 1.00 62.31 O ATOM 583 CB CYS A 37 -1.460 5.607 -6.699 1.00 13.23 C ATOM 584 SG CYS A 37 -0.500 6.598 -7.868 1.00 21.12 S ATOM 0 H CYS A 37 -1.374 7.485 -4.995 1.00 73.14 H new ATOM 0 HA CYS A 37 -3.338 6.608 -6.967 1.00 73.40 H new ATOM 0 HB2 CYS A 37 -0.814 5.315 -5.871 1.00 13.23 H new ATOM 0 HB3 CYS A 37 -1.779 4.689 -7.193 1.00 13.23 H new ATOM 0 HG CYS A 37 0.392 5.847 -8.443 1.00 21.12 H new ATOM 590 N GLU A 38 -4.308 4.548 -5.818 1.00 1.24 N ATOM 591 CA GLU A 38 -5.122 3.602 -5.069 1.00 30.43 C ATOM 592 C GLU A 38 -4.489 2.214 -5.095 1.00 63.22 C ATOM 593 O GLU A 38 -4.163 1.689 -6.160 1.00 2.32 O ATOM 594 CB GLU A 38 -6.533 3.548 -5.657 1.00 11.24 C ATOM 595 CG GLU A 38 -7.260 4.882 -5.608 1.00 62.31 C ATOM 596 CD GLU A 38 -8.616 4.829 -6.273 1.00 61.13 C ATOM 597 OE1 GLU A 38 -8.750 5.344 -7.406 1.00 21.33 O ATOM 598 OE2 GLU A 38 -9.557 4.272 -5.673 1.00 34.43 O ATOM 0 H GLU A 38 -4.444 4.508 -6.828 1.00 1.24 H new ATOM 0 HA GLU A 38 -5.180 3.936 -4.033 1.00 30.43 H new ATOM 0 HB2 GLU A 38 -6.474 3.213 -6.692 1.00 11.24 H new ATOM 0 HB3 GLU A 38 -7.117 2.805 -5.114 1.00 11.24 H new ATOM 0 HG2 GLU A 38 -7.381 5.188 -4.569 1.00 62.31 H new ATOM 0 HG3 GLU A 38 -6.650 5.642 -6.095 1.00 62.31 H new ATOM 606 N ILE A 39 -4.321 1.628 -3.922 1.00 62.41 N ATOM 607 CA ILE A 39 -3.693 0.326 -3.792 1.00 2.14 C ATOM 608 C ILE A 39 -4.615 -0.619 -3.039 1.00 62.25 C ATOM 609 O ILE A 39 -5.028 -0.332 -1.917 1.00 64.32 O ATOM 610 CB ILE A 39 -2.340 0.389 -3.033 1.00 20.11 C ATOM 611 CG1 ILE A 39 -1.308 1.243 -3.775 1.00 21.02 C ATOM 612 CG2 ILE A 39 -1.788 -1.010 -2.805 1.00 2.24 C ATOM 613 CD1 ILE A 39 -1.451 2.726 -3.530 1.00 31.21 C ATOM 0 H ILE A 39 -4.615 2.040 -3.036 1.00 62.41 H new ATOM 0 HA ILE A 39 -3.503 -0.031 -4.804 1.00 2.14 H new ATOM 0 HB ILE A 39 -2.534 0.860 -2.069 1.00 20.11 H new ATOM 0 HG12 ILE A 39 -0.308 0.930 -3.474 1.00 21.02 H new ATOM 0 HG13 ILE A 39 -1.394 1.051 -4.845 1.00 21.02 H new ATOM 0 HG21 ILE A 39 -0.840 -0.944 -2.272 1.00 2.24 H new ATOM 0 HG22 ILE A 39 -2.497 -1.589 -2.214 1.00 2.24 H new ATOM 0 HG23 ILE A 39 -1.631 -1.500 -3.766 1.00 2.24 H new ATOM 0 HD11 ILE A 39 -0.685 3.263 -4.089 1.00 31.21 H new ATOM 0 HD12 ILE A 39 -2.437 3.055 -3.857 1.00 31.21 H new ATOM 0 HD13 ILE A 39 -1.334 2.932 -2.466 1.00 31.21 H new ATOM 625 N TYR A 40 -4.953 -1.730 -3.662 1.00 60.40 N ATOM 626 CA TYR A 40 -5.691 -2.769 -2.973 1.00 54.42 C ATOM 627 C TYR A 40 -4.830 -4.015 -2.862 1.00 10.10 C ATOM 628 O TYR A 40 -4.143 -4.399 -3.815 1.00 13.23 O ATOM 629 CB TYR A 40 -7.034 -3.065 -3.658 1.00 74.02 C ATOM 630 CG TYR A 40 -6.956 -3.813 -4.971 1.00 3.22 C ATOM 631 CD1 TYR A 40 -6.679 -3.155 -6.163 1.00 24.44 C ATOM 632 CD2 TYR A 40 -7.196 -5.180 -5.016 1.00 51.34 C ATOM 633 CE1 TYR A 40 -6.637 -3.843 -7.362 1.00 32.21 C ATOM 634 CE2 TYR A 40 -7.160 -5.871 -6.207 1.00 54.52 C ATOM 635 CZ TYR A 40 -6.881 -5.199 -7.377 1.00 13.55 C ATOM 636 OH TYR A 40 -6.854 -5.889 -8.568 1.00 41.11 O ATOM 0 H TYR A 40 -4.731 -1.936 -4.636 1.00 60.40 H new ATOM 0 HA TYR A 40 -5.930 -2.419 -1.969 1.00 54.42 H new ATOM 0 HB2 TYR A 40 -7.651 -3.642 -2.970 1.00 74.02 H new ATOM 0 HB3 TYR A 40 -7.548 -2.119 -3.831 1.00 74.02 H new ATOM 0 HD1 TYR A 40 -6.494 -2.091 -6.153 1.00 24.44 H new ATOM 0 HD2 TYR A 40 -7.415 -5.711 -4.101 1.00 51.34 H new ATOM 0 HE1 TYR A 40 -6.414 -3.321 -8.281 1.00 32.21 H new ATOM 0 HE2 TYR A 40 -7.350 -6.934 -6.224 1.00 54.52 H new ATOM 0 HH TYR A 40 -6.080 -5.601 -9.095 1.00 41.11 H new ATOM 646 N ILE A 41 -4.839 -4.621 -1.688 1.00 61.42 N ATOM 647 CA ILE A 41 -3.961 -5.745 -1.406 1.00 75.10 C ATOM 648 C ILE A 41 -4.472 -7.014 -2.084 1.00 3.02 C ATOM 649 O ILE A 41 -5.677 -7.280 -2.103 1.00 44.15 O ATOM 650 CB ILE A 41 -3.833 -5.998 0.113 1.00 44.32 C ATOM 651 CG1 ILE A 41 -3.764 -4.673 0.885 1.00 64.13 C ATOM 652 CG2 ILE A 41 -2.597 -6.837 0.405 1.00 54.13 C ATOM 653 CD1 ILE A 41 -2.565 -3.809 0.539 1.00 34.14 C ATOM 0 H ILE A 41 -5.445 -4.354 -0.913 1.00 61.42 H new ATOM 0 HA ILE A 41 -2.978 -5.490 -1.802 1.00 75.10 H new ATOM 0 HB ILE A 41 -4.718 -6.542 0.443 1.00 44.32 H new ATOM 0 HG12 ILE A 41 -4.674 -4.105 0.691 1.00 64.13 H new ATOM 0 HG13 ILE A 41 -3.745 -4.889 1.953 1.00 64.13 H new ATOM 0 HG21 ILE A 41 -2.519 -7.008 1.479 1.00 54.13 H new ATOM 0 HG22 ILE A 41 -2.677 -7.794 -0.110 1.00 54.13 H new ATOM 0 HG23 ILE A 41 -1.709 -6.310 0.056 1.00 54.13 H new ATOM 0 HD11 ILE A 41 -2.594 -2.893 1.129 1.00 34.14 H new ATOM 0 HD12 ILE A 41 -1.648 -4.354 0.760 1.00 34.14 H new ATOM 0 HD13 ILE A 41 -2.591 -3.558 -0.521 1.00 34.14 H new ATOM 665 N ARG A 42 -3.553 -7.778 -2.649 1.00 53.35 N ATOM 666 CA ARG A 42 -3.883 -9.051 -3.271 1.00 33.24 C ATOM 667 C ARG A 42 -3.840 -10.164 -2.230 1.00 24.10 C ATOM 668 O ARG A 42 -4.803 -10.911 -2.063 1.00 33.24 O ATOM 669 CB ARG A 42 -2.904 -9.363 -4.409 1.00 2.23 C ATOM 670 CG ARG A 42 -3.110 -10.736 -5.031 1.00 52.00 C ATOM 671 CD ARG A 42 -4.387 -10.793 -5.855 1.00 40.03 C ATOM 672 NE ARG A 42 -4.189 -10.276 -7.205 1.00 42.23 N ATOM 673 CZ ARG A 42 -5.089 -9.552 -7.867 1.00 51.33 C ATOM 674 NH1 ARG A 42 -6.192 -9.127 -7.257 1.00 61.32 N ATOM 675 NH2 ARG A 42 -4.873 -9.231 -9.135 1.00 2.13 N ATOM 0 H ARG A 42 -2.563 -7.537 -2.690 1.00 53.35 H new ATOM 0 HA ARG A 42 -4.889 -8.985 -3.685 1.00 33.24 H new ATOM 0 HB2 ARG A 42 -3.007 -8.603 -5.184 1.00 2.23 H new ATOM 0 HB3 ARG A 42 -1.885 -9.295 -4.029 1.00 2.23 H new ATOM 0 HG2 ARG A 42 -2.257 -10.981 -5.664 1.00 52.00 H new ATOM 0 HG3 ARG A 42 -3.150 -11.490 -4.245 1.00 52.00 H new ATOM 0 HD2 ARG A 42 -4.738 -11.824 -5.909 1.00 40.03 H new ATOM 0 HD3 ARG A 42 -5.166 -10.217 -5.357 1.00 40.03 H new ATOM 0 HE ARG A 42 -3.305 -10.482 -7.671 1.00 42.23 H new ATOM 0 HH11 ARG A 42 -6.352 -9.355 -6.276 1.00 61.32 H new ATOM 0 HH12 ARG A 42 -6.877 -8.573 -7.770 1.00 61.32 H new ATOM 0 HH21 ARG A 42 -4.019 -9.539 -9.601 1.00 2.13 H new ATOM 0 HH22 ARG A 42 -5.561 -8.676 -9.645 1.00 2.13 H new ATOM 689 N LYS A 43 -2.717 -10.254 -1.529 1.00 34.24 N ATOM 690 CA LYS A 43 -2.511 -11.278 -0.511 1.00 51.41 C ATOM 691 C LYS A 43 -1.603 -10.763 0.592 1.00 11.41 C ATOM 692 O LYS A 43 -0.617 -10.077 0.323 1.00 52.11 O ATOM 693 CB LYS A 43 -1.880 -12.534 -1.115 1.00 72.20 C ATOM 694 CG LYS A 43 -2.846 -13.417 -1.879 1.00 34.42 C ATOM 695 CD LYS A 43 -2.125 -14.607 -2.483 1.00 13.23 C ATOM 696 CE LYS A 43 -3.093 -15.581 -3.129 1.00 31.30 C ATOM 697 NZ LYS A 43 -3.928 -16.290 -2.127 1.00 51.41 N ATOM 0 H LYS A 43 -1.925 -9.622 -1.649 1.00 34.24 H new ATOM 0 HA LYS A 43 -3.489 -11.526 -0.099 1.00 51.41 H new ATOM 0 HB2 LYS A 43 -1.074 -12.234 -1.785 1.00 72.20 H new ATOM 0 HB3 LYS A 43 -1.428 -13.119 -0.314 1.00 72.20 H new ATOM 0 HG2 LYS A 43 -3.634 -13.764 -1.211 1.00 34.42 H new ATOM 0 HG3 LYS A 43 -3.328 -12.839 -2.668 1.00 34.42 H new ATOM 0 HD2 LYS A 43 -1.408 -14.259 -3.227 1.00 13.23 H new ATOM 0 HD3 LYS A 43 -1.556 -15.120 -1.707 1.00 13.23 H new ATOM 0 HE2 LYS A 43 -3.739 -15.042 -3.822 1.00 31.30 H new ATOM 0 HE3 LYS A 43 -2.534 -16.311 -3.715 1.00 31.30 H new ATOM 0 HZ1 LYS A 43 -4.424 -17.081 -2.585 1.00 51.41 H new ATOM 0 HZ2 LYS A 43 -3.321 -16.656 -1.366 1.00 51.41 H new ATOM 0 HZ3 LYS A 43 -4.625 -15.630 -1.727 1.00 51.41 H new ATOM 711 N VAL A 44 -1.936 -11.094 1.826 1.00 10.14 N ATOM 712 CA VAL A 44 -1.073 -10.794 2.957 1.00 54.02 C ATOM 713 C VAL A 44 -0.617 -12.098 3.592 1.00 44.00 C ATOM 714 O VAL A 44 -1.431 -12.833 4.157 1.00 14.44 O ATOM 715 CB VAL A 44 -1.780 -9.934 4.029 1.00 20.13 C ATOM 716 CG1 VAL A 44 -0.825 -9.608 5.171 1.00 0.21 C ATOM 717 CG2 VAL A 44 -2.339 -8.657 3.422 1.00 50.12 C ATOM 0 H VAL A 44 -2.802 -11.573 2.073 1.00 10.14 H new ATOM 0 HA VAL A 44 -0.225 -10.221 2.581 1.00 54.02 H new ATOM 0 HB VAL A 44 -2.613 -10.512 4.428 1.00 20.13 H new ATOM 0 HG11 VAL A 44 -1.341 -9.002 5.915 1.00 0.21 H new ATOM 0 HG12 VAL A 44 -0.480 -10.533 5.632 1.00 0.21 H new ATOM 0 HG13 VAL A 44 0.031 -9.055 4.783 1.00 0.21 H new ATOM 0 HG21 VAL A 44 -2.831 -8.070 4.198 1.00 50.12 H new ATOM 0 HG22 VAL A 44 -1.526 -8.075 2.987 1.00 50.12 H new ATOM 0 HG23 VAL A 44 -3.061 -8.909 2.645 1.00 50.12 H new ATOM 727 N ALA A 45 0.668 -12.397 3.472 1.00 13.51 N ATOM 728 CA ALA A 45 1.210 -13.627 4.026 1.00 52.32 C ATOM 729 C ALA A 45 1.015 -13.665 5.538 1.00 51.12 C ATOM 730 O ALA A 45 1.118 -12.639 6.212 1.00 22.41 O ATOM 731 CB ALA A 45 2.682 -13.761 3.671 1.00 3.43 C ATOM 0 H ALA A 45 1.352 -11.807 2.998 1.00 13.51 H new ATOM 0 HA ALA A 45 0.672 -14.470 3.593 1.00 52.32 H new ATOM 0 HB1 ALA A 45 3.075 -14.686 4.092 1.00 3.43 H new ATOM 0 HB2 ALA A 45 2.795 -13.779 2.587 1.00 3.43 H new ATOM 0 HB3 ALA A 45 3.233 -12.914 4.079 1.00 3.43 H new ATOM 737 N PRO A 46 0.738 -14.853 6.089 1.00 30.41 N ATOM 738 CA PRO A 46 0.472 -15.023 7.522 1.00 23.44 C ATOM 739 C PRO A 46 1.695 -14.741 8.393 1.00 52.34 C ATOM 740 O PRO A 46 1.596 -14.670 9.618 1.00 71.15 O ATOM 741 CB PRO A 46 0.054 -16.491 7.639 1.00 74.24 C ATOM 742 CG PRO A 46 0.638 -17.156 6.442 1.00 11.45 C ATOM 743 CD PRO A 46 0.636 -16.124 5.352 1.00 31.34 C ATOM 0 HA PRO A 46 -0.284 -14.321 7.874 1.00 23.44 H new ATOM 0 HB2 PRO A 46 0.430 -16.936 8.560 1.00 74.24 H new ATOM 0 HB3 PRO A 46 -1.031 -16.592 7.656 1.00 74.24 H new ATOM 0 HG2 PRO A 46 1.650 -17.506 6.645 1.00 11.45 H new ATOM 0 HG3 PRO A 46 0.050 -18.028 6.155 1.00 11.45 H new ATOM 0 HD2 PRO A 46 1.473 -16.260 4.667 1.00 31.34 H new ATOM 0 HD3 PRO A 46 -0.275 -16.171 4.755 1.00 31.34 H new ATOM 751 N LEU A 47 2.845 -14.575 7.755 1.00 34.12 N ATOM 752 CA LEU A 47 4.076 -14.260 8.464 1.00 61.44 C ATOM 753 C LEU A 47 4.205 -12.751 8.634 1.00 64.52 C ATOM 754 O LEU A 47 5.059 -12.265 9.376 1.00 1.20 O ATOM 755 CB LEU A 47 5.281 -14.797 7.692 1.00 24.24 C ATOM 756 CG LEU A 47 5.194 -16.273 7.304 1.00 71.44 C ATOM 757 CD1 LEU A 47 6.374 -16.662 6.427 1.00 71.04 C ATOM 758 CD2 LEU A 47 5.139 -17.149 8.547 1.00 23.53 C ATOM 0 H LEU A 47 2.951 -14.654 6.744 1.00 34.12 H new ATOM 0 HA LEU A 47 4.046 -14.731 9.446 1.00 61.44 H new ATOM 0 HB2 LEU A 47 5.406 -14.205 6.785 1.00 24.24 H new ATOM 0 HB3 LEU A 47 6.176 -14.648 8.296 1.00 24.24 H new ATOM 0 HG LEU A 47 4.277 -16.427 6.735 1.00 71.44 H new ATOM 0 HD11 LEU A 47 6.297 -17.716 6.160 1.00 71.04 H new ATOM 0 HD12 LEU A 47 6.369 -16.056 5.521 1.00 71.04 H new ATOM 0 HD13 LEU A 47 7.303 -16.493 6.971 1.00 71.04 H new ATOM 0 HD21 LEU A 47 5.077 -18.196 8.252 1.00 23.53 H new ATOM 0 HD22 LEU A 47 6.038 -16.992 9.143 1.00 23.53 H new ATOM 0 HD23 LEU A 47 4.262 -16.887 9.139 1.00 23.53 H new ATOM 770 N GLY A 48 3.343 -12.021 7.940 1.00 64.41 N ATOM 771 CA GLY A 48 3.404 -10.577 7.950 1.00 73.12 C ATOM 772 C GLY A 48 3.924 -10.041 6.635 1.00 51.23 C ATOM 773 O GLY A 48 3.566 -8.942 6.210 1.00 21.31 O ATOM 0 H GLY A 48 2.596 -12.410 7.365 1.00 64.41 H new ATOM 0 HA2 GLY A 48 2.412 -10.170 8.144 1.00 73.12 H new ATOM 0 HA3 GLY A 48 4.050 -10.244 8.762 1.00 73.12 H new ATOM 777 N ASP A 49 4.772 -10.828 5.995 1.00 53.43 N ATOM 778 CA ASP A 49 5.288 -10.501 4.677 1.00 43.21 C ATOM 779 C ASP A 49 5.613 -11.792 3.936 1.00 42.54 C ATOM 780 O ASP A 49 5.726 -12.848 4.561 1.00 1.22 O ATOM 781 CB ASP A 49 6.537 -9.613 4.776 1.00 61.25 C ATOM 782 CG ASP A 49 7.796 -10.380 5.133 1.00 65.31 C ATOM 783 OD1 ASP A 49 8.587 -10.685 4.211 1.00 72.14 O ATOM 784 OD2 ASP A 49 8.025 -10.650 6.331 1.00 11.50 O ATOM 0 H ASP A 49 5.121 -11.709 6.373 1.00 53.43 H new ATOM 0 HA ASP A 49 4.529 -9.943 4.129 1.00 43.21 H new ATOM 0 HB2 ASP A 49 6.688 -9.104 3.824 1.00 61.25 H new ATOM 0 HB3 ASP A 49 6.366 -8.841 5.526 1.00 61.25 H new ATOM 790 N PRO A 50 5.735 -11.742 2.598 1.00 34.54 N ATOM 791 CA PRO A 50 5.566 -10.514 1.818 1.00 61.12 C ATOM 792 C PRO A 50 4.101 -10.136 1.603 1.00 33.30 C ATOM 793 O PRO A 50 3.197 -10.968 1.717 1.00 1.11 O ATOM 794 CB PRO A 50 6.224 -10.861 0.487 1.00 24.01 C ATOM 795 CG PRO A 50 6.033 -12.331 0.345 1.00 14.41 C ATOM 796 CD PRO A 50 6.062 -12.896 1.741 1.00 64.41 C ATOM 0 HA PRO A 50 6.000 -9.652 2.325 1.00 61.12 H new ATOM 0 HB2 PRO A 50 5.760 -10.320 -0.337 1.00 24.01 H new ATOM 0 HB3 PRO A 50 7.282 -10.597 0.487 1.00 24.01 H new ATOM 0 HG2 PRO A 50 5.086 -12.555 -0.146 1.00 14.41 H new ATOM 0 HG3 PRO A 50 6.821 -12.768 -0.268 1.00 14.41 H new ATOM 0 HD2 PRO A 50 5.337 -13.701 1.861 1.00 64.41 H new ATOM 0 HD3 PRO A 50 7.041 -13.310 1.984 1.00 64.41 H new ATOM 804 N ILE A 51 3.881 -8.869 1.296 1.00 42.21 N ATOM 805 CA ILE A 51 2.553 -8.361 1.018 1.00 32.21 C ATOM 806 C ILE A 51 2.376 -8.187 -0.485 1.00 12.53 C ATOM 807 O ILE A 51 3.053 -7.373 -1.111 1.00 2.34 O ATOM 808 CB ILE A 51 2.310 -7.016 1.737 1.00 3.41 C ATOM 809 CG1 ILE A 51 2.467 -7.194 3.250 1.00 51.21 C ATOM 810 CG2 ILE A 51 0.929 -6.467 1.401 1.00 41.11 C ATOM 811 CD1 ILE A 51 2.347 -5.904 4.028 1.00 73.22 C ATOM 0 H ILE A 51 4.618 -8.167 1.233 1.00 42.21 H new ATOM 0 HA ILE A 51 1.824 -9.080 1.391 1.00 32.21 H new ATOM 0 HB ILE A 51 3.052 -6.297 1.391 1.00 3.41 H new ATOM 0 HG12 ILE A 51 1.711 -7.894 3.605 1.00 51.21 H new ATOM 0 HG13 ILE A 51 3.439 -7.643 3.455 1.00 51.21 H new ATOM 0 HG21 ILE A 51 0.779 -5.519 1.918 1.00 41.11 H new ATOM 0 HG22 ILE A 51 0.852 -6.310 0.325 1.00 41.11 H new ATOM 0 HG23 ILE A 51 0.167 -7.179 1.719 1.00 41.11 H new ATOM 0 HD11 ILE A 51 2.469 -6.108 5.092 1.00 73.22 H new ATOM 0 HD12 ILE A 51 3.120 -5.209 3.701 1.00 73.22 H new ATOM 0 HD13 ILE A 51 1.365 -5.464 3.853 1.00 73.22 H new ATOM 823 N GLN A 52 1.488 -8.976 -1.064 1.00 73.12 N ATOM 824 CA GLN A 52 1.256 -8.928 -2.499 1.00 13.30 C ATOM 825 C GLN A 52 0.201 -7.878 -2.808 1.00 33.43 C ATOM 826 O GLN A 52 -0.926 -7.971 -2.326 1.00 52.13 O ATOM 827 CB GLN A 52 0.789 -10.291 -3.021 1.00 2.22 C ATOM 828 CG GLN A 52 1.685 -11.457 -2.628 1.00 22.13 C ATOM 829 CD GLN A 52 3.125 -11.273 -3.060 1.00 13.41 C ATOM 830 OE1 GLN A 52 3.503 -11.630 -4.175 1.00 3.21 O ATOM 831 NE2 GLN A 52 3.940 -10.733 -2.172 1.00 33.52 N ATOM 0 H GLN A 52 0.916 -9.657 -0.565 1.00 73.12 H new ATOM 0 HA GLN A 52 2.193 -8.669 -2.993 1.00 13.30 H new ATOM 0 HB2 GLN A 52 -0.218 -10.482 -2.651 1.00 2.22 H new ATOM 0 HB3 GLN A 52 0.726 -10.248 -4.108 1.00 2.22 H new ATOM 0 HG2 GLN A 52 1.650 -11.585 -1.546 1.00 22.13 H new ATOM 0 HG3 GLN A 52 1.294 -12.373 -3.070 1.00 22.13 H new ATOM 0 HE21 GLN A 52 3.584 -10.451 -1.259 1.00 33.52 H new ATOM 0 HE22 GLN A 52 4.925 -10.598 -2.400 1.00 33.52 H new ATOM 840 N ILE A 53 0.565 -6.877 -3.590 1.00 44.51 N ATOM 841 CA ILE A 53 -0.368 -5.819 -3.948 1.00 22.42 C ATOM 842 C ILE A 53 -0.541 -5.734 -5.461 1.00 61.15 C ATOM 843 O ILE A 53 0.333 -6.161 -6.217 1.00 31.12 O ATOM 844 CB ILE A 53 0.082 -4.449 -3.374 1.00 74.50 C ATOM 845 CG1 ILE A 53 1.541 -4.128 -3.730 1.00 31.12 C ATOM 846 CG2 ILE A 53 -0.099 -4.426 -1.865 1.00 54.43 C ATOM 847 CD1 ILE A 53 1.725 -3.494 -5.090 1.00 44.40 C ATOM 0 H ILE A 53 1.498 -6.773 -3.989 1.00 44.51 H new ATOM 0 HA ILE A 53 -1.332 -6.068 -3.504 1.00 22.42 H new ATOM 0 HB ILE A 53 -0.547 -3.684 -3.829 1.00 74.50 H new ATOM 0 HG12 ILE A 53 1.949 -3.459 -2.972 1.00 31.12 H new ATOM 0 HG13 ILE A 53 2.123 -5.048 -3.689 1.00 31.12 H new ATOM 0 HG21 ILE A 53 0.220 -3.460 -1.475 1.00 54.43 H new ATOM 0 HG22 ILE A 53 -1.149 -4.586 -1.622 1.00 54.43 H new ATOM 0 HG23 ILE A 53 0.502 -5.216 -1.414 1.00 54.43 H new ATOM 0 HD11 ILE A 53 2.784 -3.300 -5.261 1.00 44.40 H new ATOM 0 HD12 ILE A 53 1.351 -4.169 -5.860 1.00 44.40 H new ATOM 0 HD13 ILE A 53 1.173 -2.555 -5.131 1.00 44.40 H new ATOM 859 N ASN A 54 -1.677 -5.208 -5.902 1.00 34.21 N ATOM 860 CA ASN A 54 -1.916 -5.033 -7.327 1.00 43.01 C ATOM 861 C ASN A 54 -2.064 -3.552 -7.649 1.00 54.51 C ATOM 862 O ASN A 54 -3.060 -2.925 -7.286 1.00 34.21 O ATOM 863 CB ASN A 54 -3.169 -5.797 -7.765 1.00 62.03 C ATOM 864 CG ASN A 54 -3.392 -5.755 -9.268 1.00 41.21 C ATOM 865 OD1 ASN A 54 -4.529 -5.716 -9.737 1.00 72.20 O ATOM 866 ND2 ASN A 54 -2.318 -5.778 -10.038 1.00 11.24 N ATOM 0 H ASN A 54 -2.440 -4.898 -5.300 1.00 34.21 H new ATOM 0 HA ASN A 54 -1.063 -5.434 -7.874 1.00 43.01 H new ATOM 0 HB2 ASN A 54 -3.086 -6.835 -7.444 1.00 62.03 H new ATOM 0 HB3 ASN A 54 -4.039 -5.376 -7.262 1.00 62.03 H new ATOM 0 HD21 ASN A 54 -2.418 -5.763 -11.053 1.00 11.24 H new ATOM 0 HD22 ASN A 54 -1.389 -5.810 -9.617 1.00 11.24 H new ATOM 873 N VAL A 55 -1.063 -3.003 -8.321 1.00 22.00 N ATOM 874 CA VAL A 55 -1.050 -1.589 -8.676 1.00 62.50 C ATOM 875 C VAL A 55 -0.453 -1.423 -10.063 1.00 53.45 C ATOM 876 O VAL A 55 0.497 -2.127 -10.415 1.00 43.23 O ATOM 877 CB VAL A 55 -0.217 -0.747 -7.676 1.00 34.32 C ATOM 878 CG1 VAL A 55 -0.349 0.738 -7.974 1.00 61.33 C ATOM 879 CG2 VAL A 55 -0.626 -1.032 -6.243 1.00 4.40 C ATOM 0 H VAL A 55 -0.241 -3.520 -8.634 1.00 22.00 H new ATOM 0 HA VAL A 55 -2.080 -1.234 -8.649 1.00 62.50 H new ATOM 0 HB VAL A 55 0.828 -1.034 -7.797 1.00 34.32 H new ATOM 0 HG11 VAL A 55 0.245 1.307 -7.258 1.00 61.33 H new ATOM 0 HG12 VAL A 55 0.008 0.940 -8.984 1.00 61.33 H new ATOM 0 HG13 VAL A 55 -1.395 1.034 -7.894 1.00 61.33 H new ATOM 0 HG21 VAL A 55 -0.024 -0.426 -5.566 1.00 4.40 H new ATOM 0 HG22 VAL A 55 -1.680 -0.787 -6.110 1.00 4.40 H new ATOM 0 HG23 VAL A 55 -0.469 -2.088 -6.023 1.00 4.40 H new ATOM 889 N ARG A 56 -1.031 -0.521 -10.858 1.00 42.45 N ATOM 890 CA ARG A 56 -0.519 -0.214 -12.195 1.00 42.54 C ATOM 891 C ARG A 56 -0.648 -1.428 -13.116 1.00 65.31 C ATOM 892 O ARG A 56 -0.017 -1.489 -14.172 1.00 73.34 O ATOM 893 CB ARG A 56 0.949 0.236 -12.124 1.00 32.01 C ATOM 894 CG ARG A 56 1.192 1.404 -11.181 1.00 43.51 C ATOM 895 CD ARG A 56 0.570 2.686 -11.706 1.00 42.21 C ATOM 896 NE ARG A 56 1.285 3.206 -12.870 1.00 72.01 N ATOM 897 CZ ARG A 56 0.759 4.060 -13.746 1.00 70.43 C ATOM 898 NH1 ARG A 56 -0.524 4.407 -13.658 1.00 0.13 N ATOM 899 NH2 ARG A 56 1.511 4.549 -14.725 1.00 54.55 N ATOM 0 H ARG A 56 -1.860 0.013 -10.597 1.00 42.45 H new ATOM 0 HA ARG A 56 -1.116 0.601 -12.604 1.00 42.54 H new ATOM 0 HB2 ARG A 56 1.562 -0.608 -11.807 1.00 32.01 H new ATOM 0 HB3 ARG A 56 1.282 0.514 -13.124 1.00 32.01 H new ATOM 0 HG2 ARG A 56 0.777 1.173 -10.200 1.00 43.51 H new ATOM 0 HG3 ARG A 56 2.264 1.547 -11.047 1.00 43.51 H new ATOM 0 HD2 ARG A 56 -0.471 2.501 -11.973 1.00 42.21 H new ATOM 0 HD3 ARG A 56 0.568 3.438 -10.917 1.00 42.21 H new ATOM 0 HE ARG A 56 2.245 2.896 -13.020 1.00 72.01 H new ATOM 0 HH11 ARG A 56 -1.108 4.018 -12.917 1.00 0.13 H new ATOM 0 HH12 ARG A 56 -0.923 5.061 -14.331 1.00 0.13 H new ATOM 0 HH21 ARG A 56 2.489 4.270 -14.805 1.00 54.55 H new ATOM 0 HH22 ARG A 56 1.111 5.203 -15.397 1.00 54.55 H new ATOM 913 N GLY A 57 -1.477 -2.386 -12.715 1.00 44.01 N ATOM 914 CA GLY A 57 -1.630 -3.608 -13.479 1.00 4.22 C ATOM 915 C GLY A 57 -0.598 -4.656 -13.101 1.00 23.20 C ATOM 916 O GLY A 57 -0.625 -5.778 -13.607 1.00 32.21 O ATOM 0 H GLY A 57 -2.047 -2.336 -11.871 1.00 44.01 H new ATOM 0 HA2 GLY A 57 -2.630 -4.011 -13.319 1.00 4.22 H new ATOM 0 HA3 GLY A 57 -1.544 -3.383 -14.542 1.00 4.22 H new ATOM 920 N TYR A 58 0.306 -4.297 -12.200 1.00 25.11 N ATOM 921 CA TYR A 58 1.369 -5.202 -11.776 1.00 70.10 C ATOM 922 C TYR A 58 1.017 -5.875 -10.459 1.00 34.44 C ATOM 923 O TYR A 58 0.404 -5.261 -9.584 1.00 3.32 O ATOM 924 CB TYR A 58 2.689 -4.448 -11.585 1.00 0.22 C ATOM 925 CG TYR A 58 3.225 -3.759 -12.820 1.00 13.24 C ATOM 926 CD1 TYR A 58 3.959 -4.456 -13.768 1.00 24.22 C ATOM 927 CD2 TYR A 58 3.024 -2.400 -13.019 1.00 74.13 C ATOM 928 CE1 TYR A 58 4.476 -3.820 -14.880 1.00 4.33 C ATOM 929 CE2 TYR A 58 3.532 -1.756 -14.132 1.00 54.34 C ATOM 930 CZ TYR A 58 4.259 -2.470 -15.058 1.00 54.00 C ATOM 931 OH TYR A 58 4.782 -1.833 -16.164 1.00 12.05 O ATOM 0 H TYR A 58 0.326 -3.383 -11.747 1.00 25.11 H new ATOM 0 HA TYR A 58 1.479 -5.951 -12.560 1.00 70.10 H new ATOM 0 HB2 TYR A 58 2.552 -3.701 -10.803 1.00 0.22 H new ATOM 0 HB3 TYR A 58 3.441 -5.151 -11.226 1.00 0.22 H new ATOM 0 HD1 TYR A 58 4.129 -5.514 -13.635 1.00 24.22 H new ATOM 0 HD2 TYR A 58 2.460 -1.835 -12.291 1.00 74.13 H new ATOM 0 HE1 TYR A 58 5.048 -4.378 -15.607 1.00 4.33 H new ATOM 0 HE2 TYR A 58 3.360 -0.699 -14.274 1.00 54.34 H new ATOM 0 HH TYR A 58 4.538 -0.884 -16.141 1.00 12.05 H new ATOM 941 N GLU A 59 1.387 -7.139 -10.323 1.00 63.44 N ATOM 942 CA GLU A 59 1.350 -7.792 -9.025 1.00 62.34 C ATOM 943 C GLU A 59 2.728 -7.699 -8.389 1.00 64.11 C ATOM 944 O GLU A 59 3.688 -8.307 -8.855 1.00 53.03 O ATOM 945 CB GLU A 59 0.871 -9.252 -9.124 1.00 74.13 C ATOM 946 CG GLU A 59 1.124 -9.934 -10.464 1.00 1.23 C ATOM 947 CD GLU A 59 2.590 -10.131 -10.786 1.00 64.11 C ATOM 948 OE1 GLU A 59 3.245 -10.976 -10.141 1.00 41.23 O ATOM 949 OE2 GLU A 59 3.091 -9.444 -11.700 1.00 52.40 O ATOM 0 H GLU A 59 1.714 -7.728 -11.089 1.00 63.44 H new ATOM 0 HA GLU A 59 0.624 -7.280 -8.394 1.00 62.34 H new ATOM 0 HB2 GLU A 59 1.362 -9.831 -8.342 1.00 74.13 H new ATOM 0 HB3 GLU A 59 -0.199 -9.280 -8.917 1.00 74.13 H new ATOM 0 HG2 GLU A 59 0.628 -10.905 -10.466 1.00 1.23 H new ATOM 0 HG3 GLU A 59 0.665 -9.341 -11.255 1.00 1.23 H new ATOM 957 N LEU A 60 2.838 -6.902 -7.346 1.00 32.12 N ATOM 958 CA LEU A 60 4.135 -6.616 -6.771 1.00 53.42 C ATOM 959 C LEU A 60 4.254 -7.168 -5.363 1.00 4.44 C ATOM 960 O LEU A 60 3.357 -6.995 -4.533 1.00 33.12 O ATOM 961 CB LEU A 60 4.391 -5.109 -6.771 1.00 1.21 C ATOM 962 CG LEU A 60 4.409 -4.459 -8.157 1.00 64.33 C ATOM 963 CD1 LEU A 60 4.533 -2.951 -8.035 1.00 55.14 C ATOM 964 CD2 LEU A 60 5.550 -5.021 -8.992 1.00 52.21 C ATOM 0 H LEU A 60 2.053 -6.445 -6.883 1.00 32.12 H new ATOM 0 HA LEU A 60 4.889 -7.108 -7.386 1.00 53.42 H new ATOM 0 HB2 LEU A 60 3.623 -4.625 -6.168 1.00 1.21 H new ATOM 0 HB3 LEU A 60 5.347 -4.917 -6.283 1.00 1.21 H new ATOM 0 HG LEU A 60 3.468 -4.688 -8.658 1.00 64.33 H new ATOM 0 HD11 LEU A 60 4.544 -2.505 -9.030 1.00 55.14 H new ATOM 0 HD12 LEU A 60 3.685 -2.561 -7.472 1.00 55.14 H new ATOM 0 HD13 LEU A 60 5.459 -2.703 -7.516 1.00 55.14 H new ATOM 0 HD21 LEU A 60 5.549 -4.549 -9.974 1.00 52.21 H new ATOM 0 HD22 LEU A 60 6.499 -4.820 -8.494 1.00 52.21 H new ATOM 0 HD23 LEU A 60 5.421 -6.097 -9.107 1.00 52.21 H new ATOM 976 N SER A 61 5.359 -7.847 -5.114 1.00 54.30 N ATOM 977 CA SER A 61 5.665 -8.349 -3.793 1.00 51.21 C ATOM 978 C SER A 61 6.337 -7.247 -2.982 1.00 23.50 C ATOM 979 O SER A 61 7.498 -6.902 -3.224 1.00 2.13 O ATOM 980 CB SER A 61 6.580 -9.576 -3.899 1.00 72.53 C ATOM 981 OG SER A 61 6.693 -10.252 -2.655 1.00 62.31 O ATOM 0 H SER A 61 6.064 -8.063 -5.819 1.00 54.30 H new ATOM 0 HA SER A 61 4.746 -8.650 -3.291 1.00 51.21 H new ATOM 0 HB2 SER A 61 6.187 -10.260 -4.651 1.00 72.53 H new ATOM 0 HB3 SER A 61 7.569 -9.265 -4.236 1.00 72.53 H new ATOM 0 HG SER A 61 7.281 -11.029 -2.757 1.00 62.31 H new ATOM 987 N LEU A 62 5.604 -6.681 -2.038 1.00 65.55 N ATOM 988 CA LEU A 62 6.126 -5.600 -1.225 1.00 65.53 C ATOM 989 C LEU A 62 6.443 -6.105 0.172 1.00 4.33 C ATOM 990 O LEU A 62 5.660 -6.843 0.771 1.00 73.22 O ATOM 991 CB LEU A 62 5.116 -4.450 -1.156 1.00 51.31 C ATOM 992 CG LEU A 62 5.601 -3.195 -0.421 1.00 60.13 C ATOM 993 CD1 LEU A 62 6.736 -2.526 -1.183 1.00 75.15 C ATOM 994 CD2 LEU A 62 4.452 -2.220 -0.218 1.00 14.31 C ATOM 0 H LEU A 62 4.646 -6.953 -1.817 1.00 65.55 H new ATOM 0 HA LEU A 62 7.043 -5.229 -1.682 1.00 65.53 H new ATOM 0 HB2 LEU A 62 4.838 -4.171 -2.172 1.00 51.31 H new ATOM 0 HB3 LEU A 62 4.212 -4.811 -0.666 1.00 51.31 H new ATOM 0 HG LEU A 62 5.978 -3.498 0.556 1.00 60.13 H new ATOM 0 HD11 LEU A 62 7.063 -1.638 -0.642 1.00 75.15 H new ATOM 0 HD12 LEU A 62 7.570 -3.221 -1.278 1.00 75.15 H new ATOM 0 HD13 LEU A 62 6.388 -2.239 -2.175 1.00 75.15 H new ATOM 0 HD21 LEU A 62 4.814 -1.335 0.305 1.00 14.31 H new ATOM 0 HD22 LEU A 62 4.047 -1.928 -1.187 1.00 14.31 H new ATOM 0 HD23 LEU A 62 3.670 -2.697 0.374 1.00 14.31 H new ATOM 1006 N ARG A 63 7.602 -5.728 0.676 1.00 34.24 N ATOM 1007 CA ARG A 63 8.017 -6.130 2.003 1.00 22.31 C ATOM 1008 C ARG A 63 7.315 -5.267 3.049 1.00 14.34 C ATOM 1009 O ARG A 63 7.129 -4.065 2.852 1.00 54.01 O ATOM 1010 CB ARG A 63 9.539 -6.011 2.130 1.00 25.21 C ATOM 1011 CG ARG A 63 10.198 -7.223 2.765 1.00 15.54 C ATOM 1012 CD ARG A 63 9.810 -7.370 4.225 1.00 25.34 C ATOM 1013 NE ARG A 63 10.281 -8.629 4.790 1.00 13.51 N ATOM 1014 CZ ARG A 63 11.209 -8.719 5.738 1.00 65.04 C ATOM 1015 NH1 ARG A 63 11.775 -7.620 6.225 1.00 10.12 N ATOM 1016 NH2 ARG A 63 11.568 -9.909 6.201 1.00 21.23 N ATOM 0 H ARG A 63 8.275 -5.141 0.183 1.00 34.24 H new ATOM 0 HA ARG A 63 7.738 -7.170 2.171 1.00 22.31 H new ATOM 0 HB2 ARG A 63 9.966 -5.855 1.139 1.00 25.21 H new ATOM 0 HB3 ARG A 63 9.777 -5.128 2.723 1.00 25.21 H new ATOM 0 HG2 ARG A 63 9.910 -8.122 2.219 1.00 15.54 H new ATOM 0 HG3 ARG A 63 11.281 -7.133 2.683 1.00 15.54 H new ATOM 0 HD2 ARG A 63 10.224 -6.539 4.796 1.00 25.34 H new ATOM 0 HD3 ARG A 63 8.726 -7.313 4.320 1.00 25.34 H new ATOM 0 HE ARG A 63 9.873 -9.494 4.436 1.00 13.51 H new ATOM 0 HH11 ARG A 63 11.498 -6.704 5.872 1.00 10.12 H new ATOM 0 HH12 ARG A 63 12.487 -7.692 6.952 1.00 10.12 H new ATOM 0 HH21 ARG A 63 11.132 -10.753 5.830 1.00 21.23 H new ATOM 0 HH22 ARG A 63 12.280 -9.980 6.928 1.00 21.23 H new ATOM 1030 N LYS A 64 6.923 -5.894 4.155 1.00 11.34 N ATOM 1031 CA LYS A 64 6.213 -5.207 5.234 1.00 74.30 C ATOM 1032 C LYS A 64 7.010 -4.018 5.764 1.00 34.34 C ATOM 1033 O LYS A 64 6.429 -3.048 6.244 1.00 71.34 O ATOM 1034 CB LYS A 64 5.878 -6.194 6.368 1.00 32.14 C ATOM 1035 CG LYS A 64 7.064 -7.004 6.875 1.00 35.44 C ATOM 1036 CD LYS A 64 7.874 -6.259 7.925 1.00 12.32 C ATOM 1037 CE LYS A 64 7.144 -6.190 9.258 1.00 3.21 C ATOM 1038 NZ LYS A 64 7.930 -5.460 10.287 1.00 1.13 N ATOM 0 H LYS A 64 7.086 -6.886 4.330 1.00 11.34 H new ATOM 0 HA LYS A 64 5.281 -4.816 4.826 1.00 74.30 H new ATOM 0 HB2 LYS A 64 5.452 -5.637 7.203 1.00 32.14 H new ATOM 0 HB3 LYS A 64 5.108 -6.882 6.018 1.00 32.14 H new ATOM 0 HG2 LYS A 64 6.705 -7.943 7.297 1.00 35.44 H new ATOM 0 HG3 LYS A 64 7.711 -7.259 6.036 1.00 35.44 H new ATOM 0 HD2 LYS A 64 8.835 -6.755 8.062 1.00 12.32 H new ATOM 0 HD3 LYS A 64 8.084 -5.249 7.573 1.00 12.32 H new ATOM 0 HE2 LYS A 64 6.182 -5.697 9.119 1.00 3.21 H new ATOM 0 HE3 LYS A 64 6.936 -7.200 9.610 1.00 3.21 H new ATOM 0 HZ1 LYS A 64 7.389 -5.422 11.174 1.00 1.13 H new ATOM 0 HZ2 LYS A 64 8.830 -5.954 10.451 1.00 1.13 H new ATOM 0 HZ3 LYS A 64 8.121 -4.493 9.956 1.00 1.13 H new ATOM 1052 N SER A 65 8.332 -4.093 5.650 1.00 23.51 N ATOM 1053 CA SER A 65 9.215 -3.035 6.116 1.00 63.54 C ATOM 1054 C SER A 65 8.887 -1.714 5.422 1.00 15.33 C ATOM 1055 O SER A 65 8.806 -0.668 6.061 1.00 3.33 O ATOM 1056 CB SER A 65 10.667 -3.437 5.853 1.00 11.23 C ATOM 1057 OG SER A 65 10.899 -4.781 6.259 1.00 73.13 O ATOM 0 H SER A 65 8.818 -4.887 5.233 1.00 23.51 H new ATOM 0 HA SER A 65 9.070 -2.893 7.187 1.00 63.54 H new ATOM 0 HB2 SER A 65 10.893 -3.328 4.792 1.00 11.23 H new ATOM 0 HB3 SER A 65 11.338 -2.768 6.392 1.00 11.23 H new ATOM 0 HG SER A 65 11.833 -4.882 6.539 1.00 73.13 H new ATOM 1063 N ALA A 66 8.682 -1.776 4.115 1.00 74.31 N ATOM 1064 CA ALA A 66 8.298 -0.601 3.351 1.00 55.11 C ATOM 1065 C ALA A 66 6.833 -0.262 3.589 1.00 64.11 C ATOM 1066 O ALA A 66 6.465 0.908 3.677 1.00 63.30 O ATOM 1067 CB ALA A 66 8.556 -0.824 1.871 1.00 63.35 C ATOM 0 H ALA A 66 8.775 -2.628 3.562 1.00 74.31 H new ATOM 0 HA ALA A 66 8.904 0.240 3.687 1.00 55.11 H new ATOM 0 HB1 ALA A 66 8.263 0.065 1.313 1.00 63.35 H new ATOM 0 HB2 ALA A 66 9.616 -1.019 1.712 1.00 63.35 H new ATOM 0 HB3 ALA A 66 7.974 -1.678 1.525 1.00 63.35 H new ATOM 1073 N ALA A 67 6.004 -1.298 3.704 1.00 31.51 N ATOM 1074 CA ALA A 67 4.568 -1.121 3.904 1.00 45.23 C ATOM 1075 C ALA A 67 4.271 -0.364 5.197 1.00 42.11 C ATOM 1076 O ALA A 67 3.278 0.361 5.283 1.00 50.41 O ATOM 1077 CB ALA A 67 3.861 -2.469 3.901 1.00 4.11 C ATOM 0 H ALA A 67 6.304 -2.272 3.662 1.00 31.51 H new ATOM 0 HA ALA A 67 4.188 -0.523 3.076 1.00 45.23 H new ATOM 0 HB1 ALA A 67 2.792 -2.319 4.051 1.00 4.11 H new ATOM 0 HB2 ALA A 67 4.027 -2.965 2.945 1.00 4.11 H new ATOM 0 HB3 ALA A 67 4.257 -3.089 4.705 1.00 4.11 H new ATOM 1083 N GLU A 68 5.138 -0.534 6.194 1.00 23.55 N ATOM 1084 CA GLU A 68 5.016 0.182 7.462 1.00 11.41 C ATOM 1085 C GLU A 68 5.189 1.682 7.255 1.00 52.42 C ATOM 1086 O GLU A 68 4.553 2.494 7.923 1.00 71.21 O ATOM 1087 CB GLU A 68 6.070 -0.307 8.460 1.00 23.44 C ATOM 1088 CG GLU A 68 5.852 -1.723 8.960 1.00 5.11 C ATOM 1089 CD GLU A 68 6.982 -2.197 9.849 1.00 22.42 C ATOM 1090 OE1 GLU A 68 7.043 -1.778 11.021 1.00 4.24 O ATOM 1091 OE2 GLU A 68 7.821 -2.995 9.380 1.00 75.44 O ATOM 0 H GLU A 68 5.937 -1.166 6.147 1.00 23.55 H new ATOM 0 HA GLU A 68 4.020 -0.015 7.858 1.00 11.41 H new ATOM 0 HB2 GLU A 68 7.052 -0.248 7.991 1.00 23.44 H new ATOM 0 HB3 GLU A 68 6.084 0.369 9.315 1.00 23.44 H new ATOM 0 HG2 GLU A 68 4.913 -1.771 9.512 1.00 5.11 H new ATOM 0 HG3 GLU A 68 5.755 -2.396 8.108 1.00 5.11 H new ATOM 1099 N MET A 69 6.043 2.044 6.308 1.00 32.21 N ATOM 1100 CA MET A 69 6.383 3.439 6.081 1.00 52.13 C ATOM 1101 C MET A 69 5.398 4.097 5.122 1.00 74.14 C ATOM 1102 O MET A 69 5.523 5.280 4.804 1.00 61.25 O ATOM 1103 CB MET A 69 7.807 3.559 5.535 1.00 42.23 C ATOM 1104 CG MET A 69 8.855 2.919 6.432 1.00 62.33 C ATOM 1105 SD MET A 69 10.539 3.227 5.867 1.00 60.24 S ATOM 1106 CE MET A 69 11.472 2.249 7.042 1.00 53.13 C ATOM 0 H MET A 69 6.513 1.388 5.684 1.00 32.21 H new ATOM 0 HA MET A 69 6.325 3.957 7.038 1.00 52.13 H new ATOM 0 HB2 MET A 69 7.851 3.095 4.550 1.00 42.23 H new ATOM 0 HB3 MET A 69 8.049 4.613 5.401 1.00 42.23 H new ATOM 0 HG2 MET A 69 8.741 3.301 7.446 1.00 62.33 H new ATOM 0 HG3 MET A 69 8.682 1.844 6.475 1.00 62.33 H new ATOM 0 HE1 MET A 69 12.536 2.336 6.824 1.00 53.13 H new ATOM 0 HE2 MET A 69 11.278 2.610 8.052 1.00 53.13 H new ATOM 0 HE3 MET A 69 11.171 1.204 6.966 1.00 53.13 H new ATOM 1116 N ILE A 70 4.416 3.337 4.669 1.00 10.51 N ATOM 1117 CA ILE A 70 3.424 3.862 3.749 1.00 14.31 C ATOM 1118 C ILE A 70 2.155 4.257 4.495 1.00 74.31 C ATOM 1119 O ILE A 70 1.421 3.402 4.992 1.00 3.25 O ATOM 1120 CB ILE A 70 3.081 2.847 2.638 1.00 60.22 C ATOM 1121 CG1 ILE A 70 4.354 2.428 1.899 1.00 42.23 C ATOM 1122 CG2 ILE A 70 2.073 3.445 1.665 1.00 61.41 C ATOM 1123 CD1 ILE A 70 4.121 1.395 0.818 1.00 12.11 C ATOM 0 H ILE A 70 4.285 2.358 4.923 1.00 10.51 H new ATOM 0 HA ILE A 70 3.856 4.746 3.280 1.00 14.31 H new ATOM 0 HB ILE A 70 2.635 1.964 3.095 1.00 60.22 H new ATOM 0 HG12 ILE A 70 4.811 3.311 1.452 1.00 42.23 H new ATOM 0 HG13 ILE A 70 5.068 2.030 2.621 1.00 42.23 H new ATOM 0 HG21 ILE A 70 1.842 2.717 0.888 1.00 61.41 H new ATOM 0 HG22 ILE A 70 1.161 3.706 2.201 1.00 61.41 H new ATOM 0 HG23 ILE A 70 2.495 4.341 1.209 1.00 61.41 H new ATOM 0 HD11 ILE A 70 5.069 1.149 0.340 1.00 12.11 H new ATOM 0 HD12 ILE A 70 3.693 0.495 1.261 1.00 12.11 H new ATOM 0 HD13 ILE A 70 3.433 1.796 0.074 1.00 12.11 H new ATOM 1135 N GLU A 71 1.920 5.560 4.578 1.00 63.33 N ATOM 1136 CA GLU A 71 0.734 6.094 5.227 1.00 64.23 C ATOM 1137 C GLU A 71 -0.419 6.081 4.235 1.00 71.35 C ATOM 1138 O GLU A 71 -0.398 6.814 3.241 1.00 3.13 O ATOM 1139 CB GLU A 71 0.991 7.528 5.701 1.00 12.13 C ATOM 1140 CG GLU A 71 -0.079 8.088 6.623 1.00 32.13 C ATOM 1141 CD GLU A 71 0.162 7.714 8.071 1.00 5.25 C ATOM 1142 OE1 GLU A 71 -0.630 6.937 8.634 1.00 43.03 O ATOM 1143 OE2 GLU A 71 1.159 8.201 8.646 1.00 35.42 O ATOM 0 H GLU A 71 2.544 6.272 4.199 1.00 63.33 H new ATOM 0 HA GLU A 71 0.487 5.480 6.093 1.00 64.23 H new ATOM 0 HB2 GLU A 71 1.951 7.560 6.217 1.00 12.13 H new ATOM 0 HB3 GLU A 71 1.076 8.176 4.829 1.00 12.13 H new ATOM 0 HG2 GLU A 71 -0.105 9.174 6.529 1.00 32.13 H new ATOM 0 HG3 GLU A 71 -1.055 7.717 6.311 1.00 32.13 H new ATOM 1151 N VAL A 72 -1.409 5.244 4.486 1.00 61.52 N ATOM 1152 CA VAL A 72 -2.523 5.099 3.566 1.00 21.15 C ATOM 1153 C VAL A 72 -3.837 5.459 4.233 1.00 70.02 C ATOM 1154 O VAL A 72 -3.940 5.497 5.458 1.00 61.24 O ATOM 1155 CB VAL A 72 -2.625 3.666 2.995 1.00 1.22 C ATOM 1156 CG1 VAL A 72 -1.414 3.342 2.137 1.00 42.33 C ATOM 1157 CG2 VAL A 72 -2.774 2.647 4.110 1.00 74.52 C ATOM 0 H VAL A 72 -1.465 4.655 5.317 1.00 61.52 H new ATOM 0 HA VAL A 72 -2.330 5.788 2.744 1.00 21.15 H new ATOM 0 HB VAL A 72 -3.515 3.617 2.368 1.00 1.22 H new ATOM 0 HG11 VAL A 72 -1.506 2.329 1.745 1.00 42.33 H new ATOM 0 HG12 VAL A 72 -1.356 4.048 1.308 1.00 42.33 H new ATOM 0 HG13 VAL A 72 -0.510 3.417 2.741 1.00 42.33 H new ATOM 0 HG21 VAL A 72 -2.844 1.647 3.682 1.00 74.52 H new ATOM 0 HG22 VAL A 72 -1.908 2.700 4.769 1.00 74.52 H new ATOM 0 HG23 VAL A 72 -3.678 2.861 4.680 1.00 74.52 H new ATOM 1167 N GLU A 73 -4.829 5.734 3.412 1.00 24.50 N ATOM 1168 CA GLU A 73 -6.164 6.017 3.891 1.00 72.42 C ATOM 1169 C GLU A 73 -7.145 5.042 3.251 1.00 62.24 C ATOM 1170 O GLU A 73 -7.096 4.807 2.043 1.00 15.34 O ATOM 1171 CB GLU A 73 -6.548 7.466 3.574 1.00 61.22 C ATOM 1172 CG GLU A 73 -7.891 7.877 4.150 1.00 62.32 C ATOM 1173 CD GLU A 73 -7.955 7.700 5.654 1.00 72.40 C ATOM 1174 OE1 GLU A 73 -8.188 6.564 6.110 1.00 15.54 O ATOM 1175 OE2 GLU A 73 -7.797 8.706 6.381 1.00 11.44 O ATOM 0 H GLU A 73 -4.732 5.767 2.397 1.00 24.50 H new ATOM 0 HA GLU A 73 -6.196 5.892 4.973 1.00 72.42 H new ATOM 0 HB2 GLU A 73 -5.776 8.131 3.962 1.00 61.22 H new ATOM 0 HB3 GLU A 73 -6.569 7.599 2.492 1.00 61.22 H new ATOM 0 HG2 GLU A 73 -8.086 8.920 3.901 1.00 62.32 H new ATOM 0 HG3 GLU A 73 -8.679 7.286 3.684 1.00 62.32 H new ATOM 1183 N LEU A 74 -8.022 4.471 4.061 1.00 51.33 N ATOM 1184 CA LEU A 74 -8.941 3.443 3.590 1.00 25.14 C ATOM 1185 C LEU A 74 -10.336 4.027 3.393 1.00 21.25 C ATOM 1186 O LEU A 74 -10.782 4.873 4.174 1.00 3.42 O ATOM 1187 CB LEU A 74 -8.958 2.272 4.585 1.00 32.51 C ATOM 1188 CG LEU A 74 -9.885 1.091 4.254 1.00 22.31 C ATOM 1189 CD1 LEU A 74 -9.699 0.613 2.822 1.00 12.12 C ATOM 1190 CD2 LEU A 74 -9.618 -0.057 5.214 1.00 31.51 C ATOM 0 H LEU A 74 -8.118 4.701 5.050 1.00 51.33 H new ATOM 0 HA LEU A 74 -8.602 3.068 2.624 1.00 25.14 H new ATOM 0 HB2 LEU A 74 -7.941 1.890 4.676 1.00 32.51 H new ATOM 0 HB3 LEU A 74 -9.241 2.662 5.563 1.00 32.51 H new ATOM 0 HG LEU A 74 -10.914 1.435 4.362 1.00 22.31 H new ATOM 0 HD11 LEU A 74 -10.372 -0.222 2.627 1.00 12.12 H new ATOM 0 HD12 LEU A 74 -9.924 1.428 2.134 1.00 12.12 H new ATOM 0 HD13 LEU A 74 -8.668 0.290 2.677 1.00 12.12 H new ATOM 0 HD21 LEU A 74 -10.277 -0.892 4.975 1.00 31.51 H new ATOM 0 HD22 LEU A 74 -8.580 -0.376 5.120 1.00 31.51 H new ATOM 0 HD23 LEU A 74 -9.805 0.272 6.236 1.00 31.51 H new ATOM 1202 N GLU A 75 -11.006 3.587 2.333 1.00 21.30 N ATOM 1203 CA GLU A 75 -12.337 4.069 2.012 1.00 3.33 C ATOM 1204 C GLU A 75 -13.310 3.754 3.140 1.00 72.13 C ATOM 1205 O GLU A 75 -13.377 2.616 3.607 1.00 42.41 O ATOM 1206 CB GLU A 75 -12.832 3.445 0.708 1.00 21.43 C ATOM 1207 CG GLU A 75 -14.151 4.021 0.230 1.00 53.11 C ATOM 1208 CD GLU A 75 -14.061 5.510 -0.031 1.00 52.13 C ATOM 1209 OE1 GLU A 75 -13.694 5.894 -1.161 1.00 34.54 O ATOM 1210 OE2 GLU A 75 -14.343 6.302 0.895 1.00 45.51 O ATOM 0 H GLU A 75 -10.643 2.893 1.680 1.00 21.30 H new ATOM 0 HA GLU A 75 -12.284 5.151 1.888 1.00 3.33 H new ATOM 0 HB2 GLU A 75 -12.078 3.591 -0.066 1.00 21.43 H new ATOM 0 HB3 GLU A 75 -12.942 2.370 0.847 1.00 21.43 H new ATOM 0 HG2 GLU A 75 -14.459 3.511 -0.683 1.00 53.11 H new ATOM 0 HG3 GLU A 75 -14.921 3.830 0.977 1.00 53.11 H new ATOM 1218 N HIS A 76 -14.061 4.771 3.553 1.00 15.12 N ATOM 1219 CA HIS A 76 -15.007 4.653 4.658 1.00 41.11 C ATOM 1220 C HIS A 76 -14.296 4.236 5.935 1.00 63.02 C ATOM 1221 O HIS A 76 -14.372 3.087 6.372 1.00 32.45 O ATOM 1222 CB HIS A 76 -16.142 3.679 4.322 1.00 4.43 C ATOM 1223 CG HIS A 76 -17.033 4.175 3.229 1.00 25.35 C ATOM 1224 ND1 HIS A 76 -17.271 3.479 2.064 1.00 23.22 N ATOM 1225 CD2 HIS A 76 -17.749 5.316 3.136 1.00 10.41 C ATOM 1226 CE1 HIS A 76 -18.091 4.175 1.301 1.00 34.42 C ATOM 1227 NE2 HIS A 76 -18.396 5.293 1.929 1.00 61.41 N ATOM 0 H HIS A 76 -14.031 5.699 3.131 1.00 15.12 H new ATOM 0 HA HIS A 76 -15.452 5.635 4.819 1.00 41.11 H new ATOM 0 HB2 HIS A 76 -15.715 2.720 4.028 1.00 4.43 H new ATOM 0 HB3 HIS A 76 -16.738 3.502 5.217 1.00 4.43 H new ATOM 0 HD2 HIS A 76 -17.802 6.101 3.876 1.00 10.41 H new ATOM 0 HE1 HIS A 76 -18.451 3.879 0.327 1.00 34.42 H new ATOM 0 HE2 HIS A 76 -19.014 6.023 1.574 1.00 61.41 H new ATOM 1236 N HIS A 77 -13.591 5.188 6.520 1.00 53.40 N ATOM 1237 CA HIS A 77 -12.818 4.948 7.729 1.00 73.00 C ATOM 1238 C HIS A 77 -13.475 5.629 8.919 1.00 50.42 C ATOM 1239 O HIS A 77 -14.211 6.605 8.746 1.00 12.11 O ATOM 1240 CB HIS A 77 -11.379 5.453 7.557 1.00 74.14 C ATOM 1241 CG HIS A 77 -11.300 6.851 7.027 1.00 35.23 C ATOM 1242 ND1 HIS A 77 -11.167 7.132 5.686 1.00 51.13 N ATOM 1243 CD2 HIS A 77 -11.360 8.048 7.657 1.00 45.21 C ATOM 1244 CE1 HIS A 77 -11.152 8.438 5.513 1.00 15.04 C ATOM 1245 NE2 HIS A 77 -11.268 9.017 6.693 1.00 13.44 N ATOM 0 H HIS A 77 -13.537 6.146 6.173 1.00 53.40 H new ATOM 0 HA HIS A 77 -12.789 3.874 7.912 1.00 73.00 H new ATOM 0 HB2 HIS A 77 -10.868 5.407 8.519 1.00 74.14 H new ATOM 0 HB3 HIS A 77 -10.846 4.785 6.881 1.00 74.14 H new ATOM 0 HD1 HIS A 77 -11.092 6.438 4.943 1.00 51.13 H new ATOM 0 HD2 HIS A 77 -11.461 8.209 8.720 1.00 45.21 H new ATOM 0 HE1 HIS A 77 -11.060 8.948 4.566 1.00 15.04 H new ATOM 1254 N HIS A 78 -13.213 5.101 10.117 1.00 5.10 N ATOM 1255 CA HIS A 78 -13.789 5.632 11.357 1.00 22.21 C ATOM 1256 C HIS A 78 -15.304 5.449 11.336 1.00 62.41 C ATOM 1257 O HIS A 78 -16.039 6.125 12.053 1.00 63.35 O ATOM 1258 CB HIS A 78 -13.434 7.118 11.522 1.00 22.11 C ATOM 1259 CG HIS A 78 -13.340 7.579 12.946 1.00 2.31 C ATOM 1260 ND1 HIS A 78 -14.436 7.881 13.724 1.00 73.33 N ATOM 1261 CD2 HIS A 78 -12.259 7.817 13.724 1.00 12.35 C ATOM 1262 CE1 HIS A 78 -14.032 8.284 14.913 1.00 64.13 C ATOM 1263 NE2 HIS A 78 -12.714 8.257 14.941 1.00 70.34 N ATOM 0 H HIS A 78 -12.599 4.298 10.256 1.00 5.10 H new ATOM 0 HA HIS A 78 -13.373 5.086 12.204 1.00 22.21 H new ATOM 0 HB2 HIS A 78 -12.481 7.308 11.028 1.00 22.11 H new ATOM 0 HB3 HIS A 78 -14.185 7.718 11.008 1.00 22.11 H new ATOM 0 HD1 HIS A 78 -15.409 7.805 13.427 1.00 73.33 H new ATOM 0 HD2 HIS A 78 -11.226 7.685 13.439 1.00 12.35 H new ATOM 0 HE1 HIS A 78 -14.674 8.586 15.728 1.00 64.13 H new ATOM 1272 N HIS A 79 -15.751 4.507 10.518 1.00 73.51 N ATOM 1273 CA HIS A 79 -17.168 4.284 10.283 1.00 62.34 C ATOM 1274 C HIS A 79 -17.758 3.388 11.368 1.00 25.50 C ATOM 1275 O HIS A 79 -17.718 2.162 11.263 1.00 75.25 O ATOM 1276 CB HIS A 79 -17.358 3.651 8.898 1.00 24.45 C ATOM 1277 CG HIS A 79 -18.784 3.450 8.491 1.00 51.42 C ATOM 1278 ND1 HIS A 79 -19.461 2.263 8.676 1.00 23.15 N ATOM 1279 CD2 HIS A 79 -19.653 4.283 7.877 1.00 74.53 C ATOM 1280 CE1 HIS A 79 -20.680 2.376 8.187 1.00 65.40 C ATOM 1281 NE2 HIS A 79 -20.825 3.593 7.699 1.00 43.41 N ATOM 0 H HIS A 79 -15.140 3.876 9.999 1.00 73.51 H new ATOM 0 HA HIS A 79 -17.692 5.239 10.317 1.00 62.34 H new ATOM 0 HB2 HIS A 79 -16.868 4.281 8.156 1.00 24.45 H new ATOM 0 HB3 HIS A 79 -16.851 2.686 8.882 1.00 24.45 H new ATOM 0 HD2 HIS A 79 -19.460 5.304 7.581 1.00 74.53 H new ATOM 0 HE1 HIS A 79 -21.433 1.602 8.186 1.00 65.40 H new ATOM 0 HE2 HIS A 79 -21.670 3.960 7.261 1.00 43.41 H new ATOM 1290 N HIS A 80 -18.289 3.998 12.414 1.00 33.24 N ATOM 1291 CA HIS A 80 -18.912 3.244 13.489 1.00 20.25 C ATOM 1292 C HIS A 80 -20.423 3.327 13.356 1.00 54.34 C ATOM 1293 O HIS A 80 -21.054 4.239 13.892 1.00 72.11 O ATOM 1294 CB HIS A 80 -18.476 3.767 14.862 1.00 65.04 C ATOM 1295 CG HIS A 80 -18.747 2.809 15.985 1.00 42.40 C ATOM 1296 ND1 HIS A 80 -20.010 2.540 16.470 1.00 73.11 N ATOM 1297 CD2 HIS A 80 -17.901 2.043 16.713 1.00 23.34 C ATOM 1298 CE1 HIS A 80 -19.927 1.656 17.447 1.00 31.51 C ATOM 1299 NE2 HIS A 80 -18.661 1.337 17.612 1.00 44.42 N ATOM 0 H HIS A 80 -18.301 5.010 12.542 1.00 33.24 H new ATOM 0 HA HIS A 80 -18.592 2.205 13.411 1.00 20.25 H new ATOM 0 HB2 HIS A 80 -17.409 3.989 14.835 1.00 65.04 H new ATOM 0 HB3 HIS A 80 -18.992 4.706 15.064 1.00 65.04 H new ATOM 0 HD2 HIS A 80 -16.827 1.996 16.606 1.00 23.34 H new ATOM 0 HE1 HIS A 80 -20.757 1.262 18.014 1.00 31.51 H new ATOM 0 HE2 HIS A 80 -18.302 0.672 18.297 1.00 44.42 H new ATOM 1308 N HIS A 81 -20.990 2.397 12.614 1.00 21.31 N ATOM 1309 CA HIS A 81 -22.425 2.362 12.399 1.00 25.11 C ATOM 1310 C HIS A 81 -22.979 1.029 12.873 1.00 33.52 C ATOM 1311 O HIS A 81 -22.810 0.028 12.148 1.00 37.77 O ATOM 1312 CB HIS A 81 -22.747 2.589 10.916 1.00 11.12 C ATOM 1313 CG HIS A 81 -24.194 2.410 10.562 1.00 2.21 C ATOM 1314 ND1 HIS A 81 -24.638 1.433 9.701 1.00 55.41 N ATOM 1315 CD2 HIS A 81 -25.295 3.095 10.949 1.00 73.01 C ATOM 1316 CE1 HIS A 81 -25.946 1.522 9.572 1.00 72.54 C ATOM 1317 NE2 HIS A 81 -26.372 2.521 10.319 1.00 23.44 N ATOM 1318 OXT HIS A 81 -23.572 0.991 13.970 1.00 37.77 O ATOM 0 H HIS A 81 -20.476 1.650 12.146 1.00 21.31 H new ATOM 0 HA HIS A 81 -22.894 3.161 12.973 1.00 25.11 H new ATOM 0 HB2 HIS A 81 -22.440 3.598 10.640 1.00 11.12 H new ATOM 0 HB3 HIS A 81 -22.151 1.900 10.318 1.00 11.12 H new ATOM 0 HD2 HIS A 81 -25.322 3.936 11.626 1.00 73.01 H new ATOM 0 HE1 HIS A 81 -26.565 0.884 8.958 1.00 72.54 H new ATOM 0 HE2 HIS A 81 -27.343 2.819 10.414 1.00 23.44 H new TER 1327 HIS A 81