USER MOD reduce.3.24.130724 H: found=0, std=0, add=1402, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1400 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: B 54 LYS NZ :NH3+ -168:sc= -0.0798 (180deg=-0.166) USER MOD Set 1.2: B 85 CYS SG : rot 150:sc= -0.0638 USER MOD Set 2.1: B 1 MET N :NH3+ -162:sc= -0.367 (180deg=-0.81) USER MOD Set 2.2: B 3 THR OG1 : rot -120:sc= -1.46 USER MOD Set 2.3: B 7 HIS : no HD1:sc= -1.23 X(o=-3.1,f=-3.5) USER MOD Set 3.1: A 54 LYS NZ :NH3+ -171:sc= -0.0966 (180deg=-0.194) USER MOD Set 3.2: A 85 CYS SG : rot 150:sc= -0.0366 USER MOD Set 4.1: A 1 MET N :NH3+ -136:sc= -0.308 (180deg=-0.88) USER MOD Set 4.2: A 3 THR OG1 : rot -120:sc= -1.48 USER MOD Set 4.3: A 7 HIS : no HD1:sc= -1.34 X(o=-3.1,f=-3.6) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.0179 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= -0.581 K(o=-0.58,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE :methyl 177:sc= -0.485 (180deg=-0.502) USER MOD Single : A 18 LYS NZ :NH3+ 141:sc= 0.19 (180deg=0.0233) USER MOD Single : A 22 SER OG : rot -160:sc= -0.46 USER MOD Single : A 32 LYS NZ :NH3+ 131:sc=-0.00359 (180deg=-0.515) USER MOD Single : A 33 LYS NZ :NH3+ -149:sc= 0.834 (180deg=-0.214!) USER MOD Single : A 41 LYS NZ :NH3+ -120:sc= -0.0332 (180deg=-0.484) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.823 K(o=-0.82,f=-0.18) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 66:sc= 0.848 USER MOD Single : A 67 CYS SG : rot -66:sc= 1.12 USER MOD Single : A 70 ASN : amide:sc=-0.000921 X(o=-0.00092,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.57 K(o=-0.57,f=-4.5!) USER MOD Single : A 74 SER OG : rot 80:sc= 0.202 USER MOD Single : A 77 CYS SG : rot -13:sc= -1.16 USER MOD Single : A 80 CYS SG : rot -140:sc= -0.128 USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 2 THR OG1 : rot 180:sc=-0.00934 USER MOD Single : B 4 SER OG : rot 180:sc= 0 USER MOD Single : B 5 GLN : amide:sc= -0.614 K(o=-0.61,f=0) USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 MET CE :methyl 177:sc= -0.484 (180deg=-0.491) USER MOD Single : B 18 LYS NZ :NH3+ 141:sc= 0.189 (180deg=0.0173) USER MOD Single : B 22 SER OG : rot -160:sc= -0.465 USER MOD Single : B 32 LYS NZ :NH3+ 130:sc= -0.0178 (180deg=-0.472) USER MOD Single : B 33 LYS NZ :NH3+ -125:sc= 0.912 (180deg=-0.0754!) USER MOD Single : B 41 LYS NZ :NH3+ -119:sc= -0.0406 (180deg=-0.495) USER MOD Single : B 43 TYR OH : rot 180:sc= 0 USER MOD Single : B 48 GLN : amide:sc= -0.853 K(o=-0.85,f=-0.17) USER MOD Single : B 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 THR OG1 : rot 93:sc= 0.803 USER MOD Single : B 67 CYS SG : rot -34:sc= 1.14 USER MOD Single : B 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 73 GLN : amide:sc= -0.571 K(o=-0.57,f=-4.6!) USER MOD Single : B 74 SER OG : rot 80:sc= 0.209 USER MOD Single : B 77 CYS SG : rot -20:sc= -1.2 USER MOD Single : B 80 CYS SG : rot -140:sc= -0.116 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 124.263 -11.928 11.066 1.00 3.75 N ATOM 2 CA MET A 1 123.539 -10.858 11.811 1.00 3.27 C ATOM 3 C MET A 1 122.139 -10.689 11.220 1.00 2.28 C ATOM 4 O MET A 1 121.695 -9.590 10.955 1.00 2.68 O ATOM 5 CB MET A 1 124.304 -9.540 11.684 1.00 3.76 C ATOM 6 CG MET A 1 125.708 -9.705 12.268 1.00 4.33 C ATOM 7 SD MET A 1 125.594 -9.967 14.055 1.00 5.05 S ATOM 8 CE MET A 1 127.050 -11.030 14.222 1.00 5.68 C ATOM 0 H1 MET A 1 124.756 -12.548 11.740 1.00 3.75 H new ATOM 0 H2 MET A 1 123.582 -12.488 10.514 1.00 3.75 H new ATOM 0 H3 MET A 1 124.957 -11.495 10.423 1.00 3.75 H new ATOM 0 HA MET A 1 123.463 -11.135 12.863 1.00 3.27 H new ATOM 0 HB2 MET A 1 124.367 -9.244 10.637 1.00 3.76 H new ATOM 0 HB3 MET A 1 123.772 -8.747 12.209 1.00 3.76 H new ATOM 0 HG2 MET A 1 126.212 -10.550 11.798 1.00 4.33 H new ATOM 0 HG3 MET A 1 126.307 -8.819 12.057 1.00 4.33 H new ATOM 0 HE1 MET A 1 127.173 -11.317 15.266 1.00 5.68 H new ATOM 0 HE2 MET A 1 126.919 -11.924 13.613 1.00 5.68 H new ATOM 0 HE3 MET A 1 127.935 -10.489 13.888 1.00 5.68 H new ATOM 20 N THR A 2 121.442 -11.770 11.004 1.00 1.63 N ATOM 21 CA THR A 2 120.075 -11.671 10.424 1.00 1.44 C ATOM 22 C THR A 2 120.163 -10.996 9.050 1.00 1.17 C ATOM 23 O THR A 2 119.164 -10.672 8.440 1.00 1.22 O ATOM 24 CB THR A 2 119.186 -10.837 11.363 1.00 2.22 C ATOM 25 OG1 THR A 2 119.532 -11.124 12.711 1.00 2.76 O ATOM 26 CG2 THR A 2 117.711 -11.184 11.134 1.00 3.02 C ATOM 0 H THR A 2 121.761 -12.718 11.204 1.00 1.63 H new ATOM 0 HA THR A 2 119.643 -12.665 10.311 1.00 1.44 H new ATOM 0 HB THR A 2 119.340 -9.778 11.157 1.00 2.22 H new ATOM 0 HG1 THR A 2 118.969 -10.594 13.313 1.00 2.76 H new ATOM 0 HG21 THR A 2 117.089 -10.589 11.803 1.00 3.02 H new ATOM 0 HG22 THR A 2 117.442 -10.967 10.100 1.00 3.02 H new ATOM 0 HG23 THR A 2 117.551 -12.243 11.336 1.00 3.02 H new ATOM 34 N THR A 3 121.359 -10.789 8.561 1.00 0.96 N ATOM 35 CA THR A 3 121.528 -10.141 7.227 1.00 0.75 C ATOM 36 C THR A 3 121.477 -11.208 6.128 1.00 0.69 C ATOM 37 O THR A 3 121.495 -12.393 6.397 1.00 0.74 O ATOM 38 CB THR A 3 122.876 -9.414 7.180 1.00 0.68 C ATOM 39 OG1 THR A 3 123.897 -10.279 7.651 1.00 0.79 O ATOM 40 CG2 THR A 3 122.813 -8.162 8.060 1.00 0.75 C ATOM 0 H THR A 3 122.228 -11.042 9.031 1.00 0.96 H new ATOM 0 HA THR A 3 120.724 -9.422 7.067 1.00 0.75 H new ATOM 0 HB THR A 3 123.096 -9.122 6.153 1.00 0.68 H new ATOM 0 HG1 THR A 3 124.329 -9.879 8.434 1.00 0.79 H new ATOM 0 HG21 THR A 3 123.772 -7.645 8.026 1.00 0.75 H new ATOM 0 HG22 THR A 3 122.030 -7.498 7.693 1.00 0.75 H new ATOM 0 HG23 THR A 3 122.592 -8.450 9.088 1.00 0.75 H new ATOM 48 N SER A 4 121.408 -10.794 4.891 1.00 0.63 N ATOM 49 CA SER A 4 121.350 -11.774 3.767 1.00 0.61 C ATOM 50 C SER A 4 122.630 -12.615 3.741 1.00 0.60 C ATOM 51 O SER A 4 123.629 -12.277 4.344 1.00 0.57 O ATOM 52 CB SER A 4 121.216 -11.018 2.444 1.00 0.63 C ATOM 53 OG SER A 4 119.911 -10.462 2.352 1.00 1.51 O ATOM 0 H SER A 4 121.389 -9.814 4.609 1.00 0.63 H new ATOM 0 HA SER A 4 120.491 -12.431 3.907 1.00 0.61 H new ATOM 0 HB2 SER A 4 121.965 -10.229 2.385 1.00 0.63 H new ATOM 0 HB3 SER A 4 121.397 -11.692 1.607 1.00 0.63 H new ATOM 0 HG SER A 4 119.822 -9.975 1.506 1.00 1.51 H new ATOM 59 N GLN A 5 122.585 -13.726 3.048 1.00 0.63 N ATOM 60 CA GLN A 5 123.770 -14.629 2.971 1.00 0.64 C ATOM 61 C GLN A 5 124.980 -13.867 2.434 1.00 0.60 C ATOM 62 O GLN A 5 126.113 -14.233 2.677 1.00 0.59 O ATOM 63 CB GLN A 5 123.451 -15.800 2.036 1.00 0.71 C ATOM 64 CG GLN A 5 123.120 -15.269 0.635 1.00 1.34 C ATOM 65 CD GLN A 5 122.749 -16.436 -0.281 1.00 1.60 C ATOM 66 OE1 GLN A 5 121.889 -16.306 -1.129 1.00 2.09 O ATOM 67 NE2 GLN A 5 123.367 -17.578 -0.149 1.00 2.18 N ATOM 0 H GLN A 5 121.768 -14.047 2.528 1.00 0.63 H new ATOM 0 HA GLN A 5 124.001 -15.002 3.969 1.00 0.64 H new ATOM 0 HB2 GLN A 5 124.302 -16.480 1.986 1.00 0.71 H new ATOM 0 HB3 GLN A 5 122.609 -16.371 2.427 1.00 0.71 H new ATOM 0 HG2 GLN A 5 122.294 -14.560 0.690 1.00 1.34 H new ATOM 0 HG3 GLN A 5 123.976 -14.731 0.227 1.00 1.34 H new ATOM 0 HE21 GLN A 5 124.089 -17.688 0.563 1.00 2.18 H new ATOM 0 HE22 GLN A 5 123.128 -18.361 -0.758 1.00 2.18 H new ATOM 76 N LYS A 6 124.753 -12.811 1.706 1.00 0.59 N ATOM 77 CA LYS A 6 125.892 -12.029 1.155 1.00 0.57 C ATOM 78 C LYS A 6 126.744 -11.511 2.313 1.00 0.51 C ATOM 79 O LYS A 6 127.955 -11.459 2.232 1.00 0.50 O ATOM 80 CB LYS A 6 125.356 -10.840 0.355 1.00 0.58 C ATOM 81 CG LYS A 6 124.697 -11.346 -0.930 1.00 0.65 C ATOM 82 CD LYS A 6 124.158 -10.161 -1.743 1.00 0.81 C ATOM 83 CE LYS A 6 122.993 -9.488 -1.003 1.00 1.26 C ATOM 84 NZ LYS A 6 122.157 -8.737 -1.982 1.00 2.02 N ATOM 0 H LYS A 6 123.827 -12.456 1.469 1.00 0.59 H new ATOM 0 HA LYS A 6 126.493 -12.664 0.504 1.00 0.57 H new ATOM 0 HB2 LYS A 6 124.634 -10.282 0.952 1.00 0.58 H new ATOM 0 HB3 LYS A 6 126.168 -10.154 0.114 1.00 0.58 H new ATOM 0 HG2 LYS A 6 125.420 -11.906 -1.523 1.00 0.65 H new ATOM 0 HG3 LYS A 6 123.885 -12.031 -0.687 1.00 0.65 H new ATOM 0 HD2 LYS A 6 124.955 -9.437 -1.914 1.00 0.81 H new ATOM 0 HD3 LYS A 6 123.825 -10.505 -2.722 1.00 0.81 H new ATOM 0 HE2 LYS A 6 122.390 -10.238 -0.492 1.00 1.26 H new ATOM 0 HE3 LYS A 6 123.375 -8.811 -0.239 1.00 1.26 H new ATOM 0 HZ1 LYS A 6 121.367 -8.280 -1.485 1.00 2.02 H new ATOM 0 HZ2 LYS A 6 122.737 -8.012 -2.450 1.00 2.02 H new ATOM 0 HZ3 LYS A 6 121.783 -9.395 -2.695 1.00 2.02 H new ATOM 98 N HIS A 7 126.117 -11.110 3.380 1.00 0.49 N ATOM 99 CA HIS A 7 126.881 -10.573 4.539 1.00 0.45 C ATOM 100 C HIS A 7 127.850 -11.622 5.083 1.00 0.45 C ATOM 101 O HIS A 7 129.026 -11.362 5.240 1.00 0.43 O ATOM 102 CB HIS A 7 125.887 -10.160 5.629 1.00 0.45 C ATOM 103 CG HIS A 7 126.620 -9.768 6.881 1.00 0.42 C ATOM 104 ND1 HIS A 7 127.032 -8.465 7.124 1.00 0.38 N ATOM 105 CD2 HIS A 7 127.008 -10.495 7.980 1.00 0.45 C ATOM 106 CE1 HIS A 7 127.635 -8.449 8.326 1.00 0.38 C ATOM 107 NE2 HIS A 7 127.647 -9.659 8.887 1.00 0.42 N ATOM 0 H HIS A 7 125.104 -11.131 3.501 1.00 0.49 H new ATOM 0 HA HIS A 7 127.466 -9.711 4.219 1.00 0.45 H new ATOM 0 HB2 HIS A 7 125.279 -9.326 5.279 1.00 0.45 H new ATOM 0 HB3 HIS A 7 125.206 -10.984 5.841 1.00 0.45 H new ATOM 0 HD2 HIS A 7 126.842 -11.553 8.118 1.00 0.45 H new ATOM 0 HE1 HIS A 7 128.057 -7.565 8.781 1.00 0.38 H new ATOM 0 HE2 HIS A 7 128.042 -9.916 9.791 1.00 0.42 H new ATOM 115 N ARG A 8 127.377 -12.807 5.377 1.00 0.48 N ATOM 116 CA ARG A 8 128.272 -13.868 5.912 1.00 0.50 C ATOM 117 C ARG A 8 129.225 -14.342 4.815 1.00 0.51 C ATOM 118 O ARG A 8 130.365 -14.671 5.066 1.00 0.51 O ATOM 119 CB ARG A 8 127.414 -15.037 6.393 1.00 0.55 C ATOM 120 CG ARG A 8 126.650 -14.615 7.650 1.00 0.57 C ATOM 121 CD ARG A 8 125.717 -15.745 8.085 1.00 1.00 C ATOM 122 NE ARG A 8 124.670 -15.945 7.043 1.00 1.69 N ATOM 123 CZ ARG A 8 123.945 -17.030 7.045 1.00 2.27 C ATOM 124 NH1 ARG A 8 124.147 -17.948 7.949 1.00 2.42 N ATOM 125 NH2 ARG A 8 123.020 -17.196 6.141 1.00 3.21 N ATOM 0 H ARG A 8 126.401 -13.083 5.267 1.00 0.48 H new ATOM 0 HA ARG A 8 128.859 -13.474 6.742 1.00 0.50 H new ATOM 0 HB2 ARG A 8 126.716 -15.337 5.612 1.00 0.55 H new ATOM 0 HB3 ARG A 8 128.043 -15.901 6.608 1.00 0.55 H new ATOM 0 HG2 ARG A 8 127.350 -14.379 8.451 1.00 0.57 H new ATOM 0 HG3 ARG A 8 126.075 -13.710 7.452 1.00 0.57 H new ATOM 0 HD2 ARG A 8 126.283 -16.665 8.230 1.00 1.00 H new ATOM 0 HD3 ARG A 8 125.254 -15.502 9.041 1.00 1.00 H new ATOM 0 HE ARG A 8 124.520 -15.233 6.328 1.00 1.69 H new ATOM 0 HH11 ARG A 8 124.872 -17.818 8.655 1.00 2.42 H new ATOM 0 HH12 ARG A 8 123.580 -18.796 7.950 1.00 2.42 H new ATOM 0 HH21 ARG A 8 122.864 -16.478 5.433 1.00 3.21 H new ATOM 0 HH22 ARG A 8 122.453 -18.044 6.142 1.00 3.21 H new ATOM 139 N ASP A 9 128.759 -14.384 3.600 1.00 0.52 N ATOM 140 CA ASP A 9 129.633 -14.843 2.485 1.00 0.54 C ATOM 141 C ASP A 9 130.777 -13.849 2.297 1.00 0.49 C ATOM 142 O ASP A 9 131.905 -14.221 2.038 1.00 0.49 O ATOM 143 CB ASP A 9 128.821 -14.916 1.194 1.00 0.61 C ATOM 144 CG ASP A 9 127.824 -16.073 1.279 1.00 0.68 C ATOM 145 OD1 ASP A 9 128.065 -16.982 2.058 1.00 0.67 O ATOM 146 OD2 ASP A 9 126.836 -16.031 0.565 1.00 0.76 O ATOM 0 H ASP A 9 127.811 -14.121 3.330 1.00 0.52 H new ATOM 0 HA ASP A 9 130.033 -15.829 2.723 1.00 0.54 H new ATOM 0 HB2 ASP A 9 128.291 -13.977 1.032 1.00 0.61 H new ATOM 0 HB3 ASP A 9 129.486 -15.058 0.342 1.00 0.61 H new ATOM 151 N PHE A 10 130.487 -12.588 2.406 1.00 0.46 N ATOM 152 CA PHE A 10 131.552 -11.569 2.211 1.00 0.43 C ATOM 153 C PHE A 10 132.636 -11.729 3.288 1.00 0.38 C ATOM 154 O PHE A 10 133.815 -11.766 2.994 1.00 0.36 O ATOM 155 CB PHE A 10 130.928 -10.175 2.304 1.00 0.45 C ATOM 156 CG PHE A 10 131.912 -9.147 1.804 1.00 0.43 C ATOM 157 CD1 PHE A 10 132.055 -8.935 0.428 1.00 0.44 C ATOM 158 CD2 PHE A 10 132.673 -8.403 2.708 1.00 0.43 C ATOM 159 CE1 PHE A 10 132.960 -7.979 -0.044 1.00 0.44 C ATOM 160 CE2 PHE A 10 133.581 -7.444 2.237 1.00 0.43 C ATOM 161 CZ PHE A 10 133.724 -7.233 0.861 1.00 0.43 C ATOM 0 H PHE A 10 129.561 -12.217 2.621 1.00 0.46 H new ATOM 0 HA PHE A 10 132.011 -11.702 1.231 1.00 0.43 H new ATOM 0 HB2 PHE A 10 130.013 -10.135 1.713 1.00 0.45 H new ATOM 0 HB3 PHE A 10 130.651 -9.957 3.336 1.00 0.45 H new ATOM 0 HD1 PHE A 10 131.466 -9.511 -0.270 1.00 0.44 H new ATOM 0 HD2 PHE A 10 132.562 -8.566 3.770 1.00 0.43 H new ATOM 0 HE1 PHE A 10 133.069 -7.816 -1.106 1.00 0.44 H new ATOM 0 HE2 PHE A 10 134.170 -6.868 2.936 1.00 0.43 H new ATOM 0 HZ PHE A 10 134.424 -6.495 0.497 1.00 0.43 H new ATOM 171 N VAL A 11 132.248 -11.809 4.533 1.00 0.37 N ATOM 172 CA VAL A 11 133.250 -11.949 5.637 1.00 0.35 C ATOM 173 C VAL A 11 133.617 -13.423 5.872 1.00 0.37 C ATOM 174 O VAL A 11 134.351 -13.740 6.787 1.00 0.38 O ATOM 175 CB VAL A 11 132.651 -11.370 6.919 1.00 0.37 C ATOM 176 CG1 VAL A 11 132.258 -9.910 6.682 1.00 0.44 C ATOM 177 CG2 VAL A 11 131.410 -12.176 7.301 1.00 0.40 C ATOM 0 H VAL A 11 131.275 -11.783 4.837 1.00 0.37 H new ATOM 0 HA VAL A 11 134.156 -11.412 5.357 1.00 0.35 H new ATOM 0 HB VAL A 11 133.384 -11.422 7.724 1.00 0.37 H new ATOM 0 HG11 VAL A 11 131.831 -9.495 7.595 1.00 0.44 H new ATOM 0 HG12 VAL A 11 133.141 -9.336 6.402 1.00 0.44 H new ATOM 0 HG13 VAL A 11 131.522 -9.857 5.880 1.00 0.44 H new ATOM 0 HG21 VAL A 11 130.978 -11.768 8.215 1.00 0.40 H new ATOM 0 HG22 VAL A 11 130.677 -12.119 6.496 1.00 0.40 H new ATOM 0 HG23 VAL A 11 131.688 -13.217 7.465 1.00 0.40 H new ATOM 187 N ALA A 12 133.140 -14.323 5.049 1.00 0.41 N ATOM 188 CA ALA A 12 133.493 -15.774 5.223 1.00 0.48 C ATOM 189 C ALA A 12 134.615 -16.161 4.256 1.00 0.46 C ATOM 190 O ALA A 12 135.285 -17.160 4.435 1.00 0.49 O ATOM 191 CB ALA A 12 132.270 -16.645 4.943 1.00 0.54 C ATOM 0 H ALA A 12 132.522 -14.120 4.264 1.00 0.41 H new ATOM 0 HA ALA A 12 133.827 -15.931 6.249 1.00 0.48 H new ATOM 0 HB1 ALA A 12 132.534 -17.695 5.071 1.00 0.54 H new ATOM 0 HB2 ALA A 12 131.471 -16.384 5.637 1.00 0.54 H new ATOM 0 HB3 ALA A 12 131.931 -16.478 3.921 1.00 0.54 H new ATOM 197 N GLU A 13 134.825 -15.381 3.228 1.00 0.43 N ATOM 198 CA GLU A 13 135.904 -15.705 2.246 1.00 0.43 C ATOM 199 C GLU A 13 136.407 -14.401 1.611 1.00 0.40 C ATOM 200 O GLU A 13 135.662 -13.449 1.498 1.00 0.37 O ATOM 201 CB GLU A 13 135.331 -16.616 1.155 1.00 0.46 C ATOM 202 CG GLU A 13 134.015 -16.029 0.638 1.00 0.48 C ATOM 203 CD GLU A 13 133.603 -16.750 -0.647 1.00 0.61 C ATOM 204 OE1 GLU A 13 134.299 -16.598 -1.638 1.00 1.26 O ATOM 205 OE2 GLU A 13 132.597 -17.439 -0.619 1.00 1.05 O ATOM 0 H GLU A 13 134.296 -14.533 3.025 1.00 0.43 H new ATOM 0 HA GLU A 13 136.728 -16.211 2.749 1.00 0.43 H new ATOM 0 HB2 GLU A 13 136.044 -16.714 0.337 1.00 0.46 H new ATOM 0 HB3 GLU A 13 135.163 -17.617 1.553 1.00 0.46 H new ATOM 0 HG2 GLU A 13 133.236 -16.135 1.393 1.00 0.48 H new ATOM 0 HG3 GLU A 13 134.131 -14.962 0.448 1.00 0.48 H new ATOM 212 N PRO A 14 137.650 -14.352 1.181 1.00 0.42 N ATOM 213 CA PRO A 14 138.218 -13.138 0.533 1.00 0.40 C ATOM 214 C PRO A 14 137.183 -12.429 -0.347 1.00 0.36 C ATOM 215 O PRO A 14 136.219 -13.025 -0.787 1.00 0.36 O ATOM 216 CB PRO A 14 139.363 -13.705 -0.306 1.00 0.45 C ATOM 217 CG PRO A 14 139.859 -14.883 0.476 1.00 0.49 C ATOM 218 CD PRO A 14 138.653 -15.433 1.261 1.00 0.48 C ATOM 0 HA PRO A 14 138.539 -12.383 1.251 1.00 0.40 H new ATOM 0 HB2 PRO A 14 139.019 -14.003 -1.296 1.00 0.45 H new ATOM 0 HB3 PRO A 14 140.151 -12.966 -0.452 1.00 0.45 H new ATOM 0 HG2 PRO A 14 140.268 -15.644 -0.188 1.00 0.49 H new ATOM 0 HG3 PRO A 14 140.660 -14.588 1.154 1.00 0.49 H new ATOM 0 HD2 PRO A 14 138.279 -16.358 0.821 1.00 0.48 H new ATOM 0 HD3 PRO A 14 138.918 -15.656 2.295 1.00 0.48 H new ATOM 226 N MET A 15 137.364 -11.160 -0.598 1.00 0.35 N ATOM 227 CA MET A 15 136.378 -10.415 -1.439 1.00 0.35 C ATOM 228 C MET A 15 136.827 -10.415 -2.903 1.00 0.36 C ATOM 229 O MET A 15 136.018 -10.377 -3.810 1.00 0.39 O ATOM 230 CB MET A 15 136.262 -8.976 -0.928 1.00 0.37 C ATOM 231 CG MET A 15 137.632 -8.300 -0.961 1.00 0.41 C ATOM 232 SD MET A 15 137.598 -6.822 0.085 1.00 0.57 S ATOM 233 CE MET A 15 136.791 -5.712 -1.092 1.00 0.43 C ATOM 0 H MET A 15 138.150 -10.606 -0.258 1.00 0.35 H new ATOM 0 HA MET A 15 135.406 -10.904 -1.373 1.00 0.35 H new ATOM 0 HB2 MET A 15 135.557 -8.418 -1.544 1.00 0.37 H new ATOM 0 HB3 MET A 15 135.870 -8.973 0.089 1.00 0.37 H new ATOM 0 HG2 MET A 15 138.399 -8.990 -0.610 1.00 0.41 H new ATOM 0 HG3 MET A 15 137.892 -8.029 -1.984 1.00 0.41 H new ATOM 0 HE1 MET A 15 136.623 -4.743 -0.622 1.00 0.43 H new ATOM 0 HE2 MET A 15 137.428 -5.585 -1.967 1.00 0.43 H new ATOM 0 HE3 MET A 15 135.835 -6.138 -1.397 1.00 0.43 H new ATOM 243 N GLY A 16 138.110 -10.464 -3.145 1.00 0.37 N ATOM 244 CA GLY A 16 138.609 -10.477 -4.552 1.00 0.40 C ATOM 245 C GLY A 16 138.043 -9.285 -5.324 1.00 0.40 C ATOM 246 O GLY A 16 138.041 -8.167 -4.847 1.00 0.38 O ATOM 0 H GLY A 16 138.835 -10.496 -2.428 1.00 0.37 H new ATOM 0 HA2 GLY A 16 139.698 -10.440 -4.560 1.00 0.40 H new ATOM 0 HA3 GLY A 16 138.318 -11.407 -5.040 1.00 0.40 H new ATOM 250 N GLU A 17 137.584 -9.520 -6.529 1.00 0.41 N ATOM 251 CA GLU A 17 137.035 -8.415 -7.379 1.00 0.42 C ATOM 252 C GLU A 17 135.523 -8.583 -7.544 1.00 0.40 C ATOM 253 O GLU A 17 134.969 -8.290 -8.585 1.00 0.40 O ATOM 254 CB GLU A 17 137.703 -8.469 -8.753 1.00 0.47 C ATOM 255 CG GLU A 17 139.179 -8.093 -8.614 1.00 0.52 C ATOM 256 CD GLU A 17 139.855 -8.162 -9.985 1.00 0.57 C ATOM 257 OE1 GLU A 17 139.161 -8.417 -10.954 1.00 0.76 O ATOM 258 OE2 GLU A 17 141.058 -7.961 -10.041 1.00 0.85 O ATOM 0 H GLU A 17 137.566 -10.442 -6.966 1.00 0.41 H new ATOM 0 HA GLU A 17 137.236 -7.456 -6.902 1.00 0.42 H new ATOM 0 HB2 GLU A 17 137.609 -9.469 -9.176 1.00 0.47 H new ATOM 0 HB3 GLU A 17 137.205 -7.784 -9.439 1.00 0.47 H new ATOM 0 HG2 GLU A 17 139.272 -7.089 -8.201 1.00 0.52 H new ATOM 0 HG3 GLU A 17 139.674 -8.771 -7.918 1.00 0.52 H new ATOM 265 N LYS A 18 134.849 -9.057 -6.532 1.00 0.38 N ATOM 266 CA LYS A 18 133.376 -9.245 -6.652 1.00 0.36 C ATOM 267 C LYS A 18 132.736 -7.885 -6.966 1.00 0.32 C ATOM 268 O LYS A 18 133.243 -6.857 -6.563 1.00 0.31 O ATOM 269 CB LYS A 18 132.823 -9.779 -5.328 1.00 0.36 C ATOM 270 CG LYS A 18 133.285 -11.224 -5.125 1.00 0.45 C ATOM 271 CD LYS A 18 133.060 -11.635 -3.669 1.00 1.17 C ATOM 272 CE LYS A 18 133.562 -13.064 -3.458 1.00 1.44 C ATOM 273 NZ LYS A 18 133.324 -13.471 -2.045 1.00 2.01 N ATOM 0 H LYS A 18 135.252 -9.321 -5.633 1.00 0.38 H new ATOM 0 HA LYS A 18 133.150 -9.956 -7.447 1.00 0.36 H new ATOM 0 HB2 LYS A 18 133.167 -9.157 -4.501 1.00 0.36 H new ATOM 0 HB3 LYS A 18 131.734 -9.732 -5.331 1.00 0.36 H new ATOM 0 HG2 LYS A 18 132.735 -11.889 -5.790 1.00 0.45 H new ATOM 0 HG3 LYS A 18 134.340 -11.318 -5.381 1.00 0.45 H new ATOM 0 HD2 LYS A 18 133.585 -10.952 -3.002 1.00 1.17 H new ATOM 0 HD3 LYS A 18 132.000 -11.570 -3.421 1.00 1.17 H new ATOM 0 HE2 LYS A 18 133.047 -13.745 -4.135 1.00 1.44 H new ATOM 0 HE3 LYS A 18 134.625 -13.125 -3.691 1.00 1.44 H new ATOM 0 HZ1 LYS A 18 133.021 -14.466 -2.016 1.00 2.01 H new ATOM 0 HZ2 LYS A 18 134.202 -13.360 -1.499 1.00 2.01 H new ATOM 0 HZ3 LYS A 18 132.582 -12.871 -1.631 1.00 2.01 H new ATOM 287 N PRO A 19 131.646 -7.864 -7.700 1.00 0.31 N ATOM 288 CA PRO A 19 130.971 -6.587 -8.079 1.00 0.29 C ATOM 289 C PRO A 19 130.512 -5.793 -6.852 1.00 0.25 C ATOM 290 O PRO A 19 130.313 -6.335 -5.784 1.00 0.24 O ATOM 291 CB PRO A 19 129.775 -7.028 -8.949 1.00 0.32 C ATOM 292 CG PRO A 19 129.566 -8.478 -8.631 1.00 0.33 C ATOM 293 CD PRO A 19 130.935 -9.034 -8.242 1.00 0.34 C ATOM 0 HA PRO A 19 131.644 -5.914 -8.610 1.00 0.29 H new ATOM 0 HB2 PRO A 19 128.885 -6.443 -8.719 1.00 0.32 H new ATOM 0 HB3 PRO A 19 129.986 -6.884 -10.009 1.00 0.32 H new ATOM 0 HG2 PRO A 19 128.852 -8.598 -7.816 1.00 0.33 H new ATOM 0 HG3 PRO A 19 129.161 -9.010 -9.492 1.00 0.33 H new ATOM 0 HD2 PRO A 19 130.849 -9.829 -7.501 1.00 0.34 H new ATOM 0 HD3 PRO A 19 131.455 -9.456 -9.102 1.00 0.34 H new ATOM 301 N VAL A 20 130.358 -4.509 -7.001 1.00 0.25 N ATOM 302 CA VAL A 20 129.926 -3.668 -5.852 1.00 0.23 C ATOM 303 C VAL A 20 128.595 -4.178 -5.294 1.00 0.21 C ATOM 304 O VAL A 20 128.422 -4.334 -4.102 1.00 0.23 O ATOM 305 CB VAL A 20 129.772 -2.217 -6.317 1.00 0.27 C ATOM 306 CG1 VAL A 20 128.771 -2.140 -7.476 1.00 0.32 C ATOM 307 CG2 VAL A 20 129.269 -1.364 -5.152 1.00 0.29 C ATOM 0 H VAL A 20 130.513 -4.003 -7.873 1.00 0.25 H new ATOM 0 HA VAL A 20 130.678 -3.722 -5.065 1.00 0.23 H new ATOM 0 HB VAL A 20 130.739 -1.845 -6.657 1.00 0.27 H new ATOM 0 HG11 VAL A 20 128.668 -1.104 -7.800 1.00 0.32 H new ATOM 0 HG12 VAL A 20 129.130 -2.746 -8.308 1.00 0.32 H new ATOM 0 HG13 VAL A 20 127.802 -2.515 -7.146 1.00 0.32 H new ATOM 0 HG21 VAL A 20 129.158 -0.330 -5.479 1.00 0.29 H new ATOM 0 HG22 VAL A 20 128.305 -1.743 -4.813 1.00 0.29 H new ATOM 0 HG23 VAL A 20 129.985 -1.410 -4.332 1.00 0.29 H new ATOM 317 N GLY A 21 127.643 -4.416 -6.159 1.00 0.23 N ATOM 318 CA GLY A 21 126.304 -4.890 -5.710 1.00 0.21 C ATOM 319 C GLY A 21 126.437 -6.139 -4.836 1.00 0.20 C ATOM 320 O GLY A 21 125.460 -6.632 -4.307 1.00 0.19 O ATOM 0 H GLY A 21 127.740 -4.300 -7.168 1.00 0.23 H new ATOM 0 HA2 GLY A 21 125.802 -4.101 -5.151 1.00 0.21 H new ATOM 0 HA3 GLY A 21 125.682 -5.111 -6.577 1.00 0.21 H new ATOM 324 N SER A 22 127.623 -6.658 -4.662 1.00 0.20 N ATOM 325 CA SER A 22 127.780 -7.871 -3.807 1.00 0.20 C ATOM 326 C SER A 22 127.861 -7.451 -2.338 1.00 0.19 C ATOM 327 O SER A 22 127.607 -8.236 -1.446 1.00 0.20 O ATOM 328 CB SER A 22 129.060 -8.613 -4.191 1.00 0.23 C ATOM 329 OG SER A 22 128.944 -9.087 -5.525 1.00 1.24 O ATOM 0 H SER A 22 128.485 -6.298 -5.072 1.00 0.20 H new ATOM 0 HA SER A 22 126.923 -8.528 -3.955 1.00 0.20 H new ATOM 0 HB2 SER A 22 129.920 -7.949 -4.102 1.00 0.23 H new ATOM 0 HB3 SER A 22 129.229 -9.447 -3.510 1.00 0.23 H new ATOM 0 HG SER A 22 129.589 -9.810 -5.672 1.00 1.24 H new ATOM 335 N LEU A 23 128.215 -6.222 -2.073 1.00 0.17 N ATOM 336 CA LEU A 23 128.310 -5.772 -0.656 1.00 0.18 C ATOM 337 C LEU A 23 126.930 -5.844 -0.007 1.00 0.18 C ATOM 338 O LEU A 23 125.932 -5.462 -0.587 1.00 0.17 O ATOM 339 CB LEU A 23 128.824 -4.331 -0.593 1.00 0.18 C ATOM 340 CG LEU A 23 130.220 -4.230 -1.223 1.00 0.21 C ATOM 341 CD1 LEU A 23 130.690 -2.773 -1.162 1.00 0.23 C ATOM 342 CD2 LEU A 23 131.215 -5.124 -0.457 1.00 0.24 C ATOM 0 H LEU A 23 128.441 -5.515 -2.772 1.00 0.17 H new ATOM 0 HA LEU A 23 129.004 -6.422 -0.123 1.00 0.18 H new ATOM 0 HB2 LEU A 23 128.134 -3.669 -1.116 1.00 0.18 H new ATOM 0 HB3 LEU A 23 128.861 -3.997 0.444 1.00 0.18 H new ATOM 0 HG LEU A 23 130.173 -4.564 -2.260 1.00 0.21 H new ATOM 0 HD11 LEU A 23 131.681 -2.692 -1.608 1.00 0.23 H new ATOM 0 HD12 LEU A 23 129.992 -2.142 -1.712 1.00 0.23 H new ATOM 0 HD13 LEU A 23 130.731 -2.447 -0.123 1.00 0.23 H new ATOM 0 HD21 LEU A 23 132.202 -5.044 -0.913 1.00 0.24 H new ATOM 0 HD22 LEU A 23 131.269 -4.801 0.583 1.00 0.24 H new ATOM 0 HD23 LEU A 23 130.879 -6.160 -0.498 1.00 0.24 H new ATOM 354 N ALA A 24 126.875 -6.333 1.193 1.00 0.18 N ATOM 355 CA ALA A 24 125.566 -6.437 1.892 1.00 0.19 C ATOM 356 C ALA A 24 124.997 -5.037 2.136 1.00 0.20 C ATOM 357 O ALA A 24 125.694 -4.123 2.530 1.00 0.20 O ATOM 358 CB ALA A 24 125.760 -7.152 3.226 1.00 0.21 C ATOM 0 H ALA A 24 127.679 -6.667 1.724 1.00 0.18 H new ATOM 0 HA ALA A 24 124.869 -7.003 1.274 1.00 0.19 H new ATOM 0 HB1 ALA A 24 124.802 -7.229 3.740 1.00 0.21 H new ATOM 0 HB2 ALA A 24 126.158 -8.151 3.049 1.00 0.21 H new ATOM 0 HB3 ALA A 24 126.458 -6.587 3.843 1.00 0.21 H new ATOM 364 N GLY A 25 123.728 -4.876 1.887 1.00 0.20 N ATOM 365 CA GLY A 25 123.078 -3.545 2.082 1.00 0.21 C ATOM 366 C GLY A 25 123.015 -2.827 0.734 1.00 0.21 C ATOM 367 O GLY A 25 122.224 -1.927 0.535 1.00 0.22 O ATOM 0 H GLY A 25 123.106 -5.613 1.554 1.00 0.20 H new ATOM 0 HA2 GLY A 25 122.075 -3.671 2.490 1.00 0.21 H new ATOM 0 HA3 GLY A 25 123.642 -2.951 2.800 1.00 0.21 H new ATOM 371 N ILE A 26 123.834 -3.235 -0.202 1.00 0.20 N ATOM 372 CA ILE A 26 123.819 -2.598 -1.552 1.00 0.21 C ATOM 373 C ILE A 26 123.022 -3.500 -2.487 1.00 0.23 C ATOM 374 O ILE A 26 123.418 -4.614 -2.765 1.00 0.25 O ATOM 375 CB ILE A 26 125.249 -2.468 -2.080 1.00 0.22 C ATOM 376 CG1 ILE A 26 126.129 -1.758 -1.040 1.00 0.22 C ATOM 377 CG2 ILE A 26 125.237 -1.662 -3.380 1.00 0.25 C ATOM 378 CD1 ILE A 26 125.483 -0.438 -0.604 1.00 0.24 C ATOM 0 H ILE A 26 124.515 -3.986 -0.088 1.00 0.20 H new ATOM 0 HA ILE A 26 123.371 -1.606 -1.494 1.00 0.21 H new ATOM 0 HB ILE A 26 125.655 -3.462 -2.269 1.00 0.22 H new ATOM 0 HG12 ILE A 26 126.272 -2.404 -0.174 1.00 0.22 H new ATOM 0 HG13 ILE A 26 127.116 -1.566 -1.460 1.00 0.22 H new ATOM 0 HG21 ILE A 26 126.255 -1.567 -3.759 1.00 0.25 H new ATOM 0 HG22 ILE A 26 124.620 -2.173 -4.119 1.00 0.25 H new ATOM 0 HG23 ILE A 26 124.827 -0.670 -3.189 1.00 0.25 H new ATOM 0 HD11 ILE A 26 126.119 0.052 0.133 1.00 0.24 H new ATOM 0 HD12 ILE A 26 125.364 0.212 -1.471 1.00 0.24 H new ATOM 0 HD13 ILE A 26 124.506 -0.639 -0.164 1.00 0.24 H new ATOM 390 N GLY A 27 121.905 -3.045 -2.981 1.00 0.24 N ATOM 391 CA GLY A 27 121.101 -3.900 -3.897 1.00 0.28 C ATOM 392 C GLY A 27 121.533 -3.660 -5.342 1.00 0.28 C ATOM 393 O GLY A 27 122.388 -2.843 -5.624 1.00 0.27 O ATOM 0 H GLY A 27 121.515 -2.122 -2.791 1.00 0.24 H new ATOM 0 HA2 GLY A 27 121.233 -4.951 -3.638 1.00 0.28 H new ATOM 0 HA3 GLY A 27 120.041 -3.674 -3.783 1.00 0.28 H new ATOM 397 N GLU A 28 120.957 -4.384 -6.252 1.00 0.30 N ATOM 398 CA GLU A 28 121.339 -4.227 -7.682 1.00 0.32 C ATOM 399 C GLU A 28 121.146 -2.770 -8.117 1.00 0.32 C ATOM 400 O GLU A 28 121.947 -2.224 -8.848 1.00 0.34 O ATOM 401 CB GLU A 28 120.458 -5.138 -8.536 1.00 0.36 C ATOM 402 CG GLU A 28 120.761 -6.597 -8.191 1.00 0.39 C ATOM 403 CD GLU A 28 119.858 -7.517 -9.013 1.00 1.28 C ATOM 404 OE1 GLU A 28 119.124 -7.007 -9.842 1.00 2.01 O ATOM 405 OE2 GLU A 28 119.913 -8.716 -8.795 1.00 1.65 O ATOM 0 H GLU A 28 120.235 -5.081 -6.070 1.00 0.30 H new ATOM 0 HA GLU A 28 122.387 -4.499 -7.811 1.00 0.32 H new ATOM 0 HB2 GLU A 28 119.405 -4.920 -8.355 1.00 0.36 H new ATOM 0 HB3 GLU A 28 120.644 -4.956 -9.594 1.00 0.36 H new ATOM 0 HG2 GLU A 28 121.808 -6.820 -8.397 1.00 0.39 H new ATOM 0 HG3 GLU A 28 120.601 -6.770 -7.127 1.00 0.39 H new ATOM 412 N VAL A 29 120.093 -2.136 -7.681 1.00 0.31 N ATOM 413 CA VAL A 29 119.859 -0.719 -8.087 1.00 0.33 C ATOM 414 C VAL A 29 120.941 0.179 -7.481 1.00 0.33 C ATOM 415 O VAL A 29 121.479 1.048 -8.135 1.00 0.35 O ATOM 416 CB VAL A 29 118.479 -0.273 -7.589 1.00 0.34 C ATOM 417 CG1 VAL A 29 118.320 1.240 -7.772 1.00 0.38 C ATOM 418 CG2 VAL A 29 117.396 -1.001 -8.387 1.00 0.35 C ATOM 0 H VAL A 29 119.386 -2.535 -7.063 1.00 0.31 H new ATOM 0 HA VAL A 29 119.899 -0.640 -9.173 1.00 0.33 H new ATOM 0 HB VAL A 29 118.382 -0.515 -6.531 1.00 0.34 H new ATOM 0 HG11 VAL A 29 117.337 1.548 -7.416 1.00 0.38 H new ATOM 0 HG12 VAL A 29 119.091 1.758 -7.203 1.00 0.38 H new ATOM 0 HG13 VAL A 29 118.418 1.491 -8.828 1.00 0.38 H new ATOM 0 HG21 VAL A 29 116.413 -0.687 -8.036 1.00 0.35 H new ATOM 0 HG22 VAL A 29 117.499 -0.759 -9.445 1.00 0.35 H new ATOM 0 HG23 VAL A 29 117.504 -2.077 -8.249 1.00 0.35 H new ATOM 428 N LEU A 30 121.251 -0.016 -6.231 1.00 0.32 N ATOM 429 CA LEU A 30 122.283 0.832 -5.573 1.00 0.32 C ATOM 430 C LEU A 30 123.649 0.551 -6.200 1.00 0.32 C ATOM 431 O LEU A 30 124.452 1.443 -6.388 1.00 0.33 O ATOM 432 CB LEU A 30 122.310 0.524 -4.072 1.00 0.32 C ATOM 433 CG LEU A 30 120.950 0.880 -3.449 1.00 0.35 C ATOM 434 CD1 LEU A 30 120.920 0.415 -1.989 1.00 0.36 C ATOM 435 CD2 LEU A 30 120.712 2.402 -3.512 1.00 0.40 C ATOM 0 H LEU A 30 120.832 -0.729 -5.634 1.00 0.32 H new ATOM 0 HA LEU A 30 122.042 1.886 -5.714 1.00 0.32 H new ATOM 0 HB2 LEU A 30 122.530 -0.531 -3.911 1.00 0.32 H new ATOM 0 HB3 LEU A 30 123.104 1.093 -3.588 1.00 0.32 H new ATOM 0 HG LEU A 30 120.162 0.378 -4.011 1.00 0.35 H new ATOM 0 HD11 LEU A 30 119.956 0.667 -1.547 1.00 0.36 H new ATOM 0 HD12 LEU A 30 121.067 -0.664 -1.948 1.00 0.36 H new ATOM 0 HD13 LEU A 30 121.715 0.911 -1.433 1.00 0.36 H new ATOM 0 HD21 LEU A 30 119.745 2.638 -3.067 1.00 0.40 H new ATOM 0 HD22 LEU A 30 121.500 2.917 -2.962 1.00 0.40 H new ATOM 0 HD23 LEU A 30 120.722 2.729 -4.552 1.00 0.40 H new ATOM 447 N GLY A 31 123.915 -0.678 -6.535 1.00 0.33 N ATOM 448 CA GLY A 31 125.227 -1.007 -7.162 1.00 0.34 C ATOM 449 C GLY A 31 125.374 -0.220 -8.468 1.00 0.35 C ATOM 450 O GLY A 31 126.436 0.273 -8.793 1.00 0.35 O ATOM 0 H GLY A 31 123.284 -1.469 -6.403 1.00 0.33 H new ATOM 0 HA2 GLY A 31 126.041 -0.759 -6.481 1.00 0.34 H new ATOM 0 HA3 GLY A 31 125.291 -2.077 -7.359 1.00 0.34 H new ATOM 454 N LYS A 32 124.312 -0.107 -9.221 1.00 0.35 N ATOM 455 CA LYS A 32 124.377 0.638 -10.512 1.00 0.37 C ATOM 456 C LYS A 32 124.671 2.121 -10.258 1.00 0.36 C ATOM 457 O LYS A 32 125.406 2.746 -10.996 1.00 0.38 O ATOM 458 CB LYS A 32 123.042 0.496 -11.246 1.00 0.39 C ATOM 459 CG LYS A 32 122.890 -0.945 -11.738 1.00 1.18 C ATOM 460 CD LYS A 32 121.559 -1.103 -12.476 1.00 1.37 C ATOM 461 CE LYS A 32 121.418 -2.546 -12.963 1.00 2.06 C ATOM 462 NZ LYS A 32 121.320 -3.457 -11.787 1.00 2.74 N ATOM 0 H LYS A 32 123.398 -0.501 -8.996 1.00 0.35 H new ATOM 0 HA LYS A 32 125.179 0.223 -11.122 1.00 0.37 H new ATOM 0 HB2 LYS A 32 122.218 0.755 -10.581 1.00 0.39 H new ATOM 0 HB3 LYS A 32 123.001 1.187 -12.088 1.00 0.39 H new ATOM 0 HG2 LYS A 32 123.716 -1.202 -12.401 1.00 1.18 H new ATOM 0 HG3 LYS A 32 122.932 -1.634 -10.894 1.00 1.18 H new ATOM 0 HD2 LYS A 32 120.731 -0.848 -11.815 1.00 1.37 H new ATOM 0 HD3 LYS A 32 121.515 -0.416 -13.321 1.00 1.37 H new ATOM 0 HE2 LYS A 32 120.531 -2.645 -13.589 1.00 2.06 H new ATOM 0 HE3 LYS A 32 122.275 -2.819 -13.579 1.00 2.06 H new ATOM 0 HZ1 LYS A 32 120.513 -4.101 -11.913 1.00 2.74 H new ATOM 0 HZ2 LYS A 32 122.196 -4.012 -11.704 1.00 2.74 H new ATOM 0 HZ3 LYS A 32 121.183 -2.895 -10.923 1.00 2.74 H new ATOM 476 N LYS A 33 124.088 2.702 -9.244 1.00 0.35 N ATOM 477 CA LYS A 33 124.326 4.153 -8.985 1.00 0.36 C ATOM 478 C LYS A 33 125.793 4.383 -8.609 1.00 0.34 C ATOM 479 O LYS A 33 126.451 5.247 -9.155 1.00 0.36 O ATOM 480 CB LYS A 33 123.420 4.606 -7.838 1.00 0.36 C ATOM 481 CG LYS A 33 121.962 4.564 -8.306 1.00 0.39 C ATOM 482 CD LYS A 33 121.027 5.007 -7.171 1.00 0.64 C ATOM 483 CE LYS A 33 121.032 6.536 -7.040 1.00 0.65 C ATOM 484 NZ LYS A 33 119.893 6.957 -6.176 1.00 1.54 N ATOM 0 H LYS A 33 123.461 2.239 -8.587 1.00 0.35 H new ATOM 0 HA LYS A 33 124.101 4.728 -9.883 1.00 0.36 H new ATOM 0 HB2 LYS A 33 123.556 3.958 -6.972 1.00 0.36 H new ATOM 0 HB3 LYS A 33 123.686 5.616 -7.525 1.00 0.36 H new ATOM 0 HG2 LYS A 33 121.831 5.216 -9.170 1.00 0.39 H new ATOM 0 HG3 LYS A 33 121.704 3.554 -8.626 1.00 0.39 H new ATOM 0 HD2 LYS A 33 120.014 4.656 -7.368 1.00 0.64 H new ATOM 0 HD3 LYS A 33 121.345 4.554 -6.232 1.00 0.64 H new ATOM 0 HE2 LYS A 33 121.975 6.873 -6.609 1.00 0.65 H new ATOM 0 HE3 LYS A 33 120.948 6.998 -8.024 1.00 0.65 H new ATOM 0 HZ1 LYS A 33 119.558 7.895 -6.476 1.00 1.54 H new ATOM 0 HZ2 LYS A 33 119.118 6.269 -6.263 1.00 1.54 H new ATOM 0 HZ3 LYS A 33 120.207 7.002 -5.185 1.00 1.54 H new ATOM 498 N LEU A 34 126.322 3.612 -7.701 1.00 0.32 N ATOM 499 CA LEU A 34 127.755 3.786 -7.325 1.00 0.31 C ATOM 500 C LEU A 34 128.620 3.522 -8.567 1.00 0.31 C ATOM 501 O LEU A 34 129.637 4.151 -8.784 1.00 0.33 O ATOM 502 CB LEU A 34 128.117 2.804 -6.201 1.00 0.29 C ATOM 503 CG LEU A 34 127.324 3.136 -4.926 1.00 0.30 C ATOM 504 CD1 LEU A 34 127.513 2.004 -3.913 1.00 0.30 C ATOM 505 CD2 LEU A 34 127.823 4.458 -4.307 1.00 0.34 C ATOM 0 H LEU A 34 125.828 2.871 -7.204 1.00 0.32 H new ATOM 0 HA LEU A 34 127.932 4.800 -6.966 1.00 0.31 H new ATOM 0 HB2 LEU A 34 127.900 1.783 -6.517 1.00 0.29 H new ATOM 0 HB3 LEU A 34 129.186 2.854 -5.996 1.00 0.29 H new ATOM 0 HG LEU A 34 126.270 3.244 -5.182 1.00 0.30 H new ATOM 0 HD11 LEU A 34 126.954 2.231 -3.005 1.00 0.30 H new ATOM 0 HD12 LEU A 34 127.149 1.069 -4.340 1.00 0.30 H new ATOM 0 HD13 LEU A 34 128.571 1.904 -3.672 1.00 0.30 H new ATOM 0 HD21 LEU A 34 127.250 4.677 -3.406 1.00 0.34 H new ATOM 0 HD22 LEU A 34 128.879 4.365 -4.052 1.00 0.34 H new ATOM 0 HD23 LEU A 34 127.693 5.268 -5.025 1.00 0.34 H new ATOM 517 N GLU A 35 128.206 2.587 -9.376 1.00 0.32 N ATOM 518 CA GLU A 35 128.985 2.258 -10.610 1.00 0.34 C ATOM 519 C GLU A 35 129.085 3.492 -11.513 1.00 0.37 C ATOM 520 O GLU A 35 130.128 3.785 -12.063 1.00 0.39 O ATOM 521 CB GLU A 35 128.287 1.119 -11.362 1.00 0.35 C ATOM 522 CG GLU A 35 129.069 0.765 -12.630 1.00 0.93 C ATOM 523 CD GLU A 35 128.385 -0.404 -13.339 1.00 1.02 C ATOM 524 OE1 GLU A 35 127.454 -0.952 -12.772 1.00 1.67 O ATOM 525 OE2 GLU A 35 128.805 -0.737 -14.435 1.00 1.36 O ATOM 0 H GLU A 35 127.360 2.033 -9.238 1.00 0.32 H new ATOM 0 HA GLU A 35 129.991 1.946 -10.328 1.00 0.34 H new ATOM 0 HB2 GLU A 35 128.208 0.243 -10.718 1.00 0.35 H new ATOM 0 HB3 GLU A 35 127.271 1.415 -11.623 1.00 0.35 H new ATOM 0 HG2 GLU A 35 129.118 1.629 -13.293 1.00 0.93 H new ATOM 0 HG3 GLU A 35 130.095 0.500 -12.376 1.00 0.93 H new ATOM 532 N GLU A 36 128.016 4.220 -11.666 1.00 0.39 N ATOM 533 CA GLU A 36 128.061 5.436 -12.529 1.00 0.43 C ATOM 534 C GLU A 36 129.009 6.448 -11.893 1.00 0.45 C ATOM 535 O GLU A 36 129.481 7.368 -12.532 1.00 0.49 O ATOM 536 CB GLU A 36 126.665 6.055 -12.634 1.00 0.45 C ATOM 537 CG GLU A 36 125.757 5.148 -13.467 1.00 1.12 C ATOM 538 CD GLU A 36 124.366 5.779 -13.564 1.00 1.39 C ATOM 539 OE1 GLU A 36 124.126 6.748 -12.863 1.00 2.00 O ATOM 540 OE2 GLU A 36 123.566 5.285 -14.342 1.00 1.86 O ATOM 0 H GLU A 36 127.113 4.028 -11.232 1.00 0.39 H new ATOM 0 HA GLU A 36 128.406 5.164 -13.526 1.00 0.43 H new ATOM 0 HB2 GLU A 36 126.242 6.193 -11.639 1.00 0.45 H new ATOM 0 HB3 GLU A 36 126.728 7.042 -13.093 1.00 0.45 H new ATOM 0 HG2 GLU A 36 126.177 5.010 -14.463 1.00 1.12 H new ATOM 0 HG3 GLU A 36 125.690 4.161 -13.009 1.00 1.12 H new ATOM 547 N ARG A 37 129.273 6.290 -10.629 1.00 0.42 N ATOM 548 CA ARG A 37 130.173 7.249 -9.929 1.00 0.45 C ATOM 549 C ARG A 37 131.622 6.761 -9.996 1.00 0.42 C ATOM 550 O ARG A 37 132.508 7.357 -9.414 1.00 0.43 O ATOM 551 CB ARG A 37 129.743 7.376 -8.470 1.00 0.45 C ATOM 552 CG ARG A 37 128.381 8.068 -8.402 1.00 0.53 C ATOM 553 CD ARG A 37 128.028 8.357 -6.941 1.00 0.86 C ATOM 554 NE ARG A 37 126.549 8.562 -6.804 1.00 1.42 N ATOM 555 CZ ARG A 37 125.907 9.437 -7.530 1.00 1.88 C ATOM 556 NH1 ARG A 37 126.556 10.299 -8.263 1.00 2.15 N ATOM 557 NH2 ARG A 37 124.604 9.488 -7.476 1.00 2.69 N ATOM 0 H ARG A 37 128.905 5.537 -10.047 1.00 0.42 H new ATOM 0 HA ARG A 37 130.106 8.221 -10.418 1.00 0.45 H new ATOM 0 HB2 ARG A 37 129.686 6.390 -8.009 1.00 0.45 H new ATOM 0 HB3 ARG A 37 130.483 7.948 -7.910 1.00 0.45 H new ATOM 0 HG2 ARG A 37 128.404 8.997 -8.972 1.00 0.53 H new ATOM 0 HG3 ARG A 37 127.617 7.435 -8.854 1.00 0.53 H new ATOM 0 HD2 ARG A 37 128.349 7.529 -6.310 1.00 0.86 H new ATOM 0 HD3 ARG A 37 128.560 9.244 -6.598 1.00 0.86 H new ATOM 0 HE ARG A 37 126.031 8.003 -6.126 1.00 1.42 H new ATOM 0 HH11 ARG A 37 127.576 10.294 -8.273 1.00 2.15 H new ATOM 0 HH12 ARG A 37 126.044 10.978 -8.826 1.00 2.15 H new ATOM 0 HH21 ARG A 37 124.093 8.847 -6.869 1.00 2.69 H new ATOM 0 HH22 ARG A 37 124.096 10.169 -8.041 1.00 2.69 H new ATOM 571 N GLY A 38 131.887 5.706 -10.731 1.00 0.40 N ATOM 572 CA GLY A 38 133.298 5.220 -10.867 1.00 0.39 C ATOM 573 C GLY A 38 133.588 4.052 -9.920 1.00 0.37 C ATOM 574 O GLY A 38 134.717 3.613 -9.818 1.00 0.48 O ATOM 0 H GLY A 38 131.190 5.163 -11.241 1.00 0.40 H new ATOM 0 HA2 GLY A 38 133.478 4.908 -11.896 1.00 0.39 H new ATOM 0 HA3 GLY A 38 133.987 6.038 -10.657 1.00 0.39 H new ATOM 578 N PHE A 39 132.599 3.522 -9.247 1.00 0.31 N ATOM 579 CA PHE A 39 132.846 2.359 -8.332 1.00 0.28 C ATOM 580 C PHE A 39 132.340 1.089 -9.020 1.00 0.28 C ATOM 581 O PHE A 39 131.310 0.547 -8.673 1.00 0.28 O ATOM 582 CB PHE A 39 132.073 2.557 -7.031 1.00 0.27 C ATOM 583 CG PHE A 39 132.683 3.682 -6.229 1.00 0.28 C ATOM 584 CD1 PHE A 39 133.697 3.414 -5.301 1.00 0.28 C ATOM 585 CD2 PHE A 39 132.231 4.994 -6.410 1.00 0.31 C ATOM 586 CE1 PHE A 39 134.258 4.457 -4.556 1.00 0.30 C ATOM 587 CE2 PHE A 39 132.791 6.038 -5.664 1.00 0.33 C ATOM 588 CZ PHE A 39 133.805 5.770 -4.737 1.00 0.32 C ATOM 0 H PHE A 39 131.631 3.841 -9.289 1.00 0.31 H new ATOM 0 HA PHE A 39 133.911 2.279 -8.112 1.00 0.28 H new ATOM 0 HB2 PHE A 39 131.029 2.781 -7.250 1.00 0.27 H new ATOM 0 HB3 PHE A 39 132.086 1.636 -6.448 1.00 0.27 H new ATOM 0 HD1 PHE A 39 134.046 2.402 -5.160 1.00 0.28 H new ATOM 0 HD2 PHE A 39 131.449 5.201 -7.126 1.00 0.31 H new ATOM 0 HE1 PHE A 39 135.041 4.250 -3.841 1.00 0.30 H new ATOM 0 HE2 PHE A 39 132.441 7.050 -5.804 1.00 0.33 H new ATOM 0 HZ PHE A 39 134.238 6.575 -4.162 1.00 0.32 H new ATOM 598 N ASP A 40 133.049 0.631 -10.017 1.00 0.30 N ATOM 599 CA ASP A 40 132.599 -0.585 -10.754 1.00 0.31 C ATOM 600 C ASP A 40 132.991 -1.852 -9.993 1.00 0.29 C ATOM 601 O ASP A 40 132.563 -2.938 -10.333 1.00 0.30 O ATOM 602 CB ASP A 40 133.253 -0.601 -12.137 1.00 0.35 C ATOM 603 CG ASP A 40 134.772 -0.697 -11.982 1.00 0.37 C ATOM 604 OD1 ASP A 40 135.260 -0.376 -10.912 1.00 0.37 O ATOM 605 OD2 ASP A 40 135.422 -1.088 -12.938 1.00 0.41 O ATOM 0 H ASP A 40 133.919 1.045 -10.352 1.00 0.30 H new ATOM 0 HA ASP A 40 131.514 -0.559 -10.851 1.00 0.31 H new ATOM 0 HB2 ASP A 40 132.882 -1.446 -12.717 1.00 0.35 H new ATOM 0 HB3 ASP A 40 132.989 0.303 -12.686 1.00 0.35 H new ATOM 610 N LYS A 41 133.812 -1.734 -8.979 1.00 0.28 N ATOM 611 CA LYS A 41 134.248 -2.941 -8.205 1.00 0.28 C ATOM 612 C LYS A 41 134.041 -2.694 -6.707 1.00 0.23 C ATOM 613 O LYS A 41 134.093 -1.575 -6.237 1.00 0.23 O ATOM 614 CB LYS A 41 135.735 -3.188 -8.482 1.00 0.34 C ATOM 615 CG LYS A 41 135.944 -3.630 -9.940 1.00 0.48 C ATOM 616 CD LYS A 41 135.620 -5.122 -10.106 1.00 0.74 C ATOM 617 CE LYS A 41 136.082 -5.585 -11.488 1.00 0.71 C ATOM 618 NZ LYS A 41 137.572 -5.622 -11.523 1.00 1.56 N ATOM 0 H LYS A 41 134.202 -0.850 -8.651 1.00 0.28 H new ATOM 0 HA LYS A 41 133.662 -3.809 -8.507 1.00 0.28 H new ATOM 0 HB2 LYS A 41 136.304 -2.279 -8.286 1.00 0.34 H new ATOM 0 HB3 LYS A 41 136.115 -3.954 -7.805 1.00 0.34 H new ATOM 0 HG2 LYS A 41 135.308 -3.039 -10.599 1.00 0.48 H new ATOM 0 HG3 LYS A 41 136.975 -3.441 -10.238 1.00 0.48 H new ATOM 0 HD2 LYS A 41 136.117 -5.703 -9.329 1.00 0.74 H new ATOM 0 HD3 LYS A 41 134.549 -5.289 -9.992 1.00 0.74 H new ATOM 0 HE2 LYS A 41 135.677 -6.573 -11.707 1.00 0.71 H new ATOM 0 HE3 LYS A 41 135.705 -4.909 -12.255 1.00 0.71 H new ATOM 0 HZ1 LYS A 41 137.918 -4.977 -12.262 1.00 1.56 H new ATOM 0 HZ2 LYS A 41 137.948 -5.325 -10.600 1.00 1.56 H new ATOM 0 HZ3 LYS A 41 137.890 -6.590 -11.731 1.00 1.56 H new ATOM 632 N ALA A 42 133.788 -3.736 -5.960 1.00 0.21 N ATOM 633 CA ALA A 42 133.556 -3.579 -4.494 1.00 0.20 C ATOM 634 C ALA A 42 134.820 -3.073 -3.794 1.00 0.18 C ATOM 635 O ALA A 42 134.752 -2.272 -2.884 1.00 0.18 O ATOM 636 CB ALA A 42 133.165 -4.934 -3.899 1.00 0.21 C ATOM 0 H ALA A 42 133.732 -4.694 -6.304 1.00 0.21 H new ATOM 0 HA ALA A 42 132.757 -2.853 -4.344 1.00 0.20 H new ATOM 0 HB1 ALA A 42 132.994 -4.825 -2.828 1.00 0.21 H new ATOM 0 HB2 ALA A 42 132.253 -5.292 -4.377 1.00 0.21 H new ATOM 0 HB3 ALA A 42 133.969 -5.651 -4.067 1.00 0.21 H new ATOM 642 N TYR A 43 135.967 -3.557 -4.178 1.00 0.19 N ATOM 643 CA TYR A 43 137.215 -3.121 -3.492 1.00 0.18 C ATOM 644 C TYR A 43 137.405 -1.605 -3.641 1.00 0.17 C ATOM 645 O TYR A 43 138.123 -0.992 -2.878 1.00 0.17 O ATOM 646 CB TYR A 43 138.425 -3.883 -4.043 1.00 0.20 C ATOM 647 CG TYR A 43 138.776 -3.408 -5.425 1.00 0.21 C ATOM 648 CD1 TYR A 43 139.495 -2.224 -5.580 1.00 0.21 C ATOM 649 CD2 TYR A 43 138.414 -4.162 -6.548 1.00 0.24 C ATOM 650 CE1 TYR A 43 139.855 -1.786 -6.851 1.00 0.25 C ATOM 651 CE2 TYR A 43 138.771 -3.721 -7.827 1.00 0.28 C ATOM 652 CZ TYR A 43 139.494 -2.532 -7.979 1.00 0.28 C ATOM 653 OH TYR A 43 139.850 -2.096 -9.240 1.00 0.32 O ATOM 0 H TYR A 43 136.095 -4.232 -4.932 1.00 0.19 H new ATOM 0 HA TYR A 43 137.128 -3.350 -2.430 1.00 0.18 H new ATOM 0 HB2 TYR A 43 139.279 -3.746 -3.379 1.00 0.20 H new ATOM 0 HB3 TYR A 43 138.207 -4.951 -4.066 1.00 0.20 H new ATOM 0 HD1 TYR A 43 139.773 -1.645 -4.712 1.00 0.21 H new ATOM 0 HD2 TYR A 43 137.861 -5.082 -6.427 1.00 0.24 H new ATOM 0 HE1 TYR A 43 140.414 -0.869 -6.967 1.00 0.25 H new ATOM 0 HE2 TYR A 43 138.489 -4.297 -8.696 1.00 0.28 H new ATOM 0 HH TYR A 43 139.522 -2.731 -9.910 1.00 0.32 H new ATOM 663 N VAL A 44 136.748 -0.989 -4.585 1.00 0.18 N ATOM 664 CA VAL A 44 136.883 0.494 -4.735 1.00 0.18 C ATOM 665 C VAL A 44 135.982 1.147 -3.678 1.00 0.17 C ATOM 666 O VAL A 44 136.271 2.198 -3.132 1.00 0.18 O ATOM 667 CB VAL A 44 136.437 0.911 -6.148 1.00 0.20 C ATOM 668 CG1 VAL A 44 136.624 2.424 -6.346 1.00 0.22 C ATOM 669 CG2 VAL A 44 137.274 0.158 -7.195 1.00 0.24 C ATOM 0 H VAL A 44 136.127 -1.441 -5.256 1.00 0.18 H new ATOM 0 HA VAL A 44 137.917 0.809 -4.597 1.00 0.18 H new ATOM 0 HB VAL A 44 135.382 0.664 -6.267 1.00 0.20 H new ATOM 0 HG11 VAL A 44 136.304 2.702 -7.350 1.00 0.22 H new ATOM 0 HG12 VAL A 44 136.026 2.964 -5.612 1.00 0.22 H new ATOM 0 HG13 VAL A 44 137.675 2.681 -6.216 1.00 0.22 H new ATOM 0 HG21 VAL A 44 136.957 0.454 -8.195 1.00 0.24 H new ATOM 0 HG22 VAL A 44 138.328 0.401 -7.061 1.00 0.24 H new ATOM 0 HG23 VAL A 44 137.131 -0.915 -7.072 1.00 0.24 H new ATOM 679 N VAL A 45 134.893 0.491 -3.388 1.00 0.17 N ATOM 680 CA VAL A 45 133.939 1.009 -2.371 1.00 0.17 C ATOM 681 C VAL A 45 134.524 0.734 -0.989 1.00 0.16 C ATOM 682 O VAL A 45 134.426 1.544 -0.087 1.00 0.16 O ATOM 683 CB VAL A 45 132.592 0.297 -2.519 1.00 0.18 C ATOM 684 CG1 VAL A 45 131.677 0.681 -1.354 1.00 0.22 C ATOM 685 CG2 VAL A 45 131.938 0.709 -3.845 1.00 0.20 C ATOM 0 H VAL A 45 134.621 -0.393 -3.819 1.00 0.17 H new ATOM 0 HA VAL A 45 133.783 2.079 -2.506 1.00 0.17 H new ATOM 0 HB VAL A 45 132.750 -0.781 -2.512 1.00 0.18 H new ATOM 0 HG11 VAL A 45 130.719 0.173 -1.461 1.00 0.22 H new ATOM 0 HG12 VAL A 45 132.141 0.385 -0.414 1.00 0.22 H new ATOM 0 HG13 VAL A 45 131.518 1.759 -1.356 1.00 0.22 H new ATOM 0 HG21 VAL A 45 130.979 0.202 -3.951 1.00 0.20 H new ATOM 0 HG22 VAL A 45 131.781 1.788 -3.854 1.00 0.20 H new ATOM 0 HG23 VAL A 45 132.589 0.430 -4.674 1.00 0.20 H new ATOM 695 N LEU A 46 135.164 -0.388 -0.826 1.00 0.17 N ATOM 696 CA LEU A 46 135.794 -0.700 0.482 1.00 0.18 C ATOM 697 C LEU A 46 136.821 0.392 0.771 1.00 0.17 C ATOM 698 O LEU A 46 137.017 0.801 1.894 1.00 0.18 O ATOM 699 CB LEU A 46 136.481 -2.071 0.395 1.00 0.22 C ATOM 700 CG LEU A 46 137.339 -2.327 1.640 1.00 0.25 C ATOM 701 CD1 LEU A 46 136.500 -2.134 2.910 1.00 0.40 C ATOM 702 CD2 LEU A 46 137.871 -3.764 1.594 1.00 0.35 C ATOM 0 H LEU A 46 135.278 -1.103 -1.544 1.00 0.17 H new ATOM 0 HA LEU A 46 135.052 -0.735 1.280 1.00 0.18 H new ATOM 0 HB2 LEU A 46 135.729 -2.854 0.298 1.00 0.22 H new ATOM 0 HB3 LEU A 46 137.105 -2.115 -0.498 1.00 0.22 H new ATOM 0 HG LEU A 46 138.170 -1.622 1.655 1.00 0.25 H new ATOM 0 HD11 LEU A 46 137.120 -2.319 3.787 1.00 0.40 H new ATOM 0 HD12 LEU A 46 136.119 -1.113 2.943 1.00 0.40 H new ATOM 0 HD13 LEU A 46 135.664 -2.833 2.903 1.00 0.40 H new ATOM 0 HD21 LEU A 46 138.482 -3.954 2.476 1.00 0.35 H new ATOM 0 HD22 LEU A 46 137.034 -4.462 1.576 1.00 0.35 H new ATOM 0 HD23 LEU A 46 138.476 -3.900 0.697 1.00 0.35 H new ATOM 714 N GLY A 47 137.469 0.871 -0.254 1.00 0.17 N ATOM 715 CA GLY A 47 138.484 1.942 -0.070 1.00 0.18 C ATOM 716 C GLY A 47 137.835 3.184 0.549 1.00 0.18 C ATOM 717 O GLY A 47 138.405 3.826 1.406 1.00 0.18 O ATOM 0 H GLY A 47 137.337 0.563 -1.218 1.00 0.17 H new ATOM 0 HA2 GLY A 47 139.288 1.584 0.573 1.00 0.18 H new ATOM 0 HA3 GLY A 47 138.933 2.197 -1.030 1.00 0.18 H new ATOM 721 N GLN A 48 136.646 3.532 0.124 1.00 0.17 N ATOM 722 CA GLN A 48 135.975 4.741 0.697 1.00 0.18 C ATOM 723 C GLN A 48 135.788 4.563 2.212 1.00 0.17 C ATOM 724 O GLN A 48 136.004 5.475 2.984 1.00 0.18 O ATOM 725 CB GLN A 48 134.610 4.920 0.024 1.00 0.19 C ATOM 726 CG GLN A 48 133.959 6.228 0.490 1.00 0.22 C ATOM 727 CD GLN A 48 134.727 7.417 -0.088 1.00 0.28 C ATOM 728 OE1 GLN A 48 134.974 8.387 0.601 1.00 0.98 O ATOM 729 NE2 GLN A 48 135.114 7.386 -1.333 1.00 1.09 N ATOM 0 H GLN A 48 136.113 3.035 -0.590 1.00 0.17 H new ATOM 0 HA GLN A 48 136.591 5.622 0.518 1.00 0.18 H new ATOM 0 HB2 GLN A 48 134.729 4.930 -1.059 1.00 0.19 H new ATOM 0 HB3 GLN A 48 133.963 4.077 0.266 1.00 0.19 H new ATOM 0 HG2 GLN A 48 132.918 6.263 0.168 1.00 0.22 H new ATOM 0 HG3 GLN A 48 133.958 6.278 1.579 1.00 0.22 H new ATOM 0 HE21 GLN A 48 134.907 6.572 -1.911 1.00 1.09 H new ATOM 0 HE22 GLN A 48 135.624 8.176 -1.728 1.00 1.09 H new ATOM 738 N PHE A 49 135.402 3.394 2.641 1.00 0.17 N ATOM 739 CA PHE A 49 135.213 3.143 4.104 1.00 0.17 C ATOM 740 C PHE A 49 136.546 3.383 4.821 1.00 0.18 C ATOM 741 O PHE A 49 136.600 3.935 5.902 1.00 0.19 O ATOM 742 CB PHE A 49 134.757 1.690 4.288 1.00 0.17 C ATOM 743 CG PHE A 49 134.547 1.369 5.753 1.00 0.19 C ATOM 744 CD1 PHE A 49 133.580 2.060 6.496 1.00 0.23 C ATOM 745 CD2 PHE A 49 135.306 0.360 6.365 1.00 0.28 C ATOM 746 CE1 PHE A 49 133.376 1.743 7.845 1.00 0.26 C ATOM 747 CE2 PHE A 49 135.103 0.049 7.712 1.00 0.31 C ATOM 748 CZ PHE A 49 134.138 0.739 8.453 1.00 0.26 C ATOM 0 H PHE A 49 135.207 2.594 2.039 1.00 0.17 H new ATOM 0 HA PHE A 49 134.462 3.813 4.523 1.00 0.17 H new ATOM 0 HB2 PHE A 49 133.830 1.524 3.739 1.00 0.17 H new ATOM 0 HB3 PHE A 49 135.502 1.015 3.867 1.00 0.17 H new ATOM 0 HD1 PHE A 49 132.993 2.836 6.029 1.00 0.23 H new ATOM 0 HD2 PHE A 49 136.049 -0.177 5.794 1.00 0.28 H new ATOM 0 HE1 PHE A 49 132.629 2.274 8.417 1.00 0.26 H new ATOM 0 HE2 PHE A 49 135.692 -0.725 8.182 1.00 0.31 H new ATOM 0 HZ PHE A 49 133.981 0.497 9.494 1.00 0.26 H new ATOM 758 N LEU A 50 137.610 2.963 4.219 1.00 0.19 N ATOM 759 CA LEU A 50 138.946 3.154 4.852 1.00 0.21 C ATOM 760 C LEU A 50 139.278 4.654 4.860 1.00 0.21 C ATOM 761 O LEU A 50 139.850 5.170 5.801 1.00 0.23 O ATOM 762 CB LEU A 50 139.994 2.393 4.041 1.00 0.23 C ATOM 763 CG LEU A 50 139.632 0.902 3.982 1.00 0.23 C ATOM 764 CD1 LEU A 50 140.677 0.161 3.142 1.00 0.28 C ATOM 765 CD2 LEU A 50 139.587 0.299 5.398 1.00 0.28 C ATOM 0 H LEU A 50 137.621 2.494 3.314 1.00 0.19 H new ATOM 0 HA LEU A 50 138.940 2.777 5.875 1.00 0.21 H new ATOM 0 HB2 LEU A 50 140.052 2.802 3.032 1.00 0.23 H new ATOM 0 HB3 LEU A 50 140.978 2.519 4.493 1.00 0.23 H new ATOM 0 HG LEU A 50 138.647 0.796 3.528 1.00 0.23 H new ATOM 0 HD11 LEU A 50 140.424 -0.898 3.098 1.00 0.28 H new ATOM 0 HD12 LEU A 50 140.692 0.573 2.133 1.00 0.28 H new ATOM 0 HD13 LEU A 50 141.660 0.280 3.597 1.00 0.28 H new ATOM 0 HD21 LEU A 50 139.329 -0.758 5.335 1.00 0.28 H new ATOM 0 HD22 LEU A 50 140.563 0.407 5.871 1.00 0.28 H new ATOM 0 HD23 LEU A 50 138.837 0.821 5.992 1.00 0.28 H new ATOM 777 N VAL A 51 138.936 5.348 3.811 1.00 0.21 N ATOM 778 CA VAL A 51 139.237 6.812 3.726 1.00 0.23 C ATOM 779 C VAL A 51 138.493 7.583 4.829 1.00 0.23 C ATOM 780 O VAL A 51 138.891 8.663 5.218 1.00 0.24 O ATOM 781 CB VAL A 51 138.800 7.334 2.352 1.00 0.25 C ATOM 782 CG1 VAL A 51 138.907 8.862 2.312 1.00 0.28 C ATOM 783 CG2 VAL A 51 139.705 6.739 1.270 1.00 0.27 C ATOM 0 H VAL A 51 138.455 4.963 2.998 1.00 0.21 H new ATOM 0 HA VAL A 51 140.308 6.962 3.861 1.00 0.23 H new ATOM 0 HB VAL A 51 137.765 7.041 2.174 1.00 0.25 H new ATOM 0 HG11 VAL A 51 138.595 9.223 1.332 1.00 0.28 H new ATOM 0 HG12 VAL A 51 138.263 9.292 3.079 1.00 0.28 H new ATOM 0 HG13 VAL A 51 139.939 9.159 2.496 1.00 0.28 H new ATOM 0 HG21 VAL A 51 139.395 7.109 0.293 1.00 0.27 H new ATOM 0 HG22 VAL A 51 140.738 7.032 1.458 1.00 0.27 H new ATOM 0 HG23 VAL A 51 139.627 5.652 1.288 1.00 0.27 H new ATOM 793 N LEU A 52 137.406 7.047 5.319 1.00 0.22 N ATOM 794 CA LEU A 52 136.624 7.764 6.381 1.00 0.23 C ATOM 795 C LEU A 52 137.070 7.307 7.775 1.00 0.23 C ATOM 796 O LEU A 52 136.370 7.504 8.747 1.00 0.24 O ATOM 797 CB LEU A 52 135.136 7.464 6.199 1.00 0.24 C ATOM 798 CG LEU A 52 134.671 7.941 4.816 1.00 0.25 C ATOM 799 CD1 LEU A 52 133.197 7.573 4.637 1.00 0.31 C ATOM 800 CD2 LEU A 52 134.836 9.468 4.692 1.00 0.27 C ATOM 0 H LEU A 52 137.023 6.146 5.033 1.00 0.22 H new ATOM 0 HA LEU A 52 136.802 8.835 6.290 1.00 0.23 H new ATOM 0 HB2 LEU A 52 134.957 6.394 6.303 1.00 0.24 H new ATOM 0 HB3 LEU A 52 134.558 7.961 6.978 1.00 0.24 H new ATOM 0 HG LEU A 52 135.276 7.460 4.047 1.00 0.25 H new ATOM 0 HD11 LEU A 52 132.855 7.907 3.657 1.00 0.31 H new ATOM 0 HD12 LEU A 52 133.080 6.492 4.713 1.00 0.31 H new ATOM 0 HD13 LEU A 52 132.604 8.057 5.413 1.00 0.31 H new ATOM 0 HD21 LEU A 52 134.502 9.791 3.706 1.00 0.27 H new ATOM 0 HD22 LEU A 52 134.238 9.962 5.458 1.00 0.27 H new ATOM 0 HD23 LEU A 52 135.885 9.733 4.825 1.00 0.27 H new ATOM 812 N LYS A 53 138.221 6.709 7.893 1.00 0.22 N ATOM 813 CA LYS A 53 138.690 6.258 9.237 1.00 0.23 C ATOM 814 C LYS A 53 137.593 5.446 9.933 1.00 0.24 C ATOM 815 O LYS A 53 137.459 5.481 11.139 1.00 0.30 O ATOM 816 CB LYS A 53 139.056 7.476 10.088 1.00 0.29 C ATOM 817 CG LYS A 53 140.333 8.117 9.528 1.00 0.38 C ATOM 818 CD LYS A 53 140.825 9.229 10.465 1.00 0.49 C ATOM 819 CE LYS A 53 139.990 10.496 10.266 1.00 0.90 C ATOM 820 NZ LYS A 53 140.589 11.611 11.054 1.00 1.70 N ATOM 0 H LYS A 53 138.858 6.512 7.121 1.00 0.22 H new ATOM 0 HA LYS A 53 139.570 5.626 9.114 1.00 0.23 H new ATOM 0 HB2 LYS A 53 138.239 8.198 10.081 1.00 0.29 H new ATOM 0 HB3 LYS A 53 139.209 7.177 11.125 1.00 0.29 H new ATOM 0 HG2 LYS A 53 141.108 7.359 9.413 1.00 0.38 H new ATOM 0 HG3 LYS A 53 140.138 8.527 8.537 1.00 0.38 H new ATOM 0 HD2 LYS A 53 140.756 8.898 11.501 1.00 0.49 H new ATOM 0 HD3 LYS A 53 141.876 9.442 10.268 1.00 0.49 H new ATOM 0 HE2 LYS A 53 139.956 10.760 9.209 1.00 0.90 H new ATOM 0 HE3 LYS A 53 138.962 10.322 10.585 1.00 0.90 H new ATOM 0 HZ1 LYS A 53 140.023 12.473 10.921 1.00 1.70 H new ATOM 0 HZ2 LYS A 53 140.600 11.357 12.062 1.00 1.70 H new ATOM 0 HZ3 LYS A 53 141.562 11.782 10.730 1.00 1.70 H new ATOM 834 N LYS A 54 136.816 4.711 9.173 1.00 0.22 N ATOM 835 CA LYS A 54 135.723 3.864 9.744 1.00 0.25 C ATOM 836 C LYS A 54 134.714 4.733 10.498 1.00 0.27 C ATOM 837 O LYS A 54 133.950 4.239 11.304 1.00 0.33 O ATOM 838 CB LYS A 54 136.314 2.820 10.703 1.00 0.35 C ATOM 839 CG LYS A 54 137.299 1.924 9.948 1.00 0.67 C ATOM 840 CD LYS A 54 137.884 0.887 10.909 1.00 0.83 C ATOM 841 CE LYS A 54 138.869 -0.011 10.160 1.00 1.41 C ATOM 842 NZ LYS A 54 138.126 -0.895 9.218 1.00 2.24 N ATOM 0 H LYS A 54 136.897 4.663 8.157 1.00 0.22 H new ATOM 0 HA LYS A 54 135.214 3.357 8.924 1.00 0.25 H new ATOM 0 HB2 LYS A 54 136.821 3.318 11.530 1.00 0.35 H new ATOM 0 HB3 LYS A 54 135.516 2.216 11.135 1.00 0.35 H new ATOM 0 HG2 LYS A 54 136.793 1.425 9.121 1.00 0.67 H new ATOM 0 HG3 LYS A 54 138.098 2.527 9.516 1.00 0.67 H new ATOM 0 HD2 LYS A 54 138.389 1.387 11.736 1.00 0.83 H new ATOM 0 HD3 LYS A 54 137.084 0.285 11.341 1.00 0.83 H new ATOM 0 HE2 LYS A 54 139.587 0.599 9.612 1.00 1.41 H new ATOM 0 HE3 LYS A 54 139.437 -0.614 10.868 1.00 1.41 H new ATOM 0 HZ1 LYS A 54 138.775 -1.606 8.824 1.00 2.24 H new ATOM 0 HZ2 LYS A 54 137.355 -1.374 9.726 1.00 2.24 H new ATOM 0 HZ3 LYS A 54 137.728 -0.323 8.446 1.00 2.24 H new ATOM 856 N ASP A 55 134.670 6.008 10.238 1.00 0.29 N ATOM 857 CA ASP A 55 133.667 6.855 10.943 1.00 0.39 C ATOM 858 C ASP A 55 132.276 6.455 10.432 1.00 0.37 C ATOM 859 O ASP A 55 131.956 6.621 9.272 1.00 0.37 O ATOM 860 CB ASP A 55 133.948 8.328 10.647 1.00 0.46 C ATOM 861 CG ASP A 55 132.832 9.201 11.227 1.00 1.18 C ATOM 862 OD1 ASP A 55 131.682 8.951 10.908 1.00 1.80 O ATOM 863 OD2 ASP A 55 133.147 10.108 11.979 1.00 1.55 O ATOM 0 H ASP A 55 135.275 6.496 9.578 1.00 0.29 H new ATOM 0 HA ASP A 55 133.720 6.710 12.022 1.00 0.39 H new ATOM 0 HB2 ASP A 55 134.907 8.617 11.076 1.00 0.46 H new ATOM 0 HB3 ASP A 55 134.021 8.484 9.571 1.00 0.46 H new ATOM 868 N GLU A 56 131.469 5.882 11.285 1.00 0.38 N ATOM 869 CA GLU A 56 130.114 5.406 10.868 1.00 0.37 C ATOM 870 C GLU A 56 129.201 6.540 10.370 1.00 0.38 C ATOM 871 O GLU A 56 128.466 6.370 9.423 1.00 0.37 O ATOM 872 CB GLU A 56 129.446 4.719 12.062 1.00 0.39 C ATOM 873 CG GLU A 56 128.103 4.123 11.632 1.00 0.41 C ATOM 874 CD GLU A 56 127.514 3.307 12.783 1.00 0.62 C ATOM 875 OE1 GLU A 56 128.152 3.238 13.821 1.00 0.87 O ATOM 876 OE2 GLU A 56 126.436 2.764 12.608 1.00 0.85 O ATOM 0 H GLU A 56 131.693 5.721 12.267 1.00 0.38 H new ATOM 0 HA GLU A 56 130.254 4.718 10.034 1.00 0.37 H new ATOM 0 HB2 GLU A 56 130.095 3.934 12.451 1.00 0.39 H new ATOM 0 HB3 GLU A 56 129.294 5.437 12.868 1.00 0.39 H new ATOM 0 HG2 GLU A 56 127.415 4.919 11.347 1.00 0.41 H new ATOM 0 HG3 GLU A 56 128.238 3.490 10.755 1.00 0.41 H new ATOM 883 N ASP A 57 129.223 7.682 10.996 1.00 0.40 N ATOM 884 CA ASP A 57 128.326 8.796 10.547 1.00 0.41 C ATOM 885 C ASP A 57 128.785 9.344 9.196 1.00 0.40 C ATOM 886 O ASP A 57 127.983 9.655 8.337 1.00 0.40 O ATOM 887 CB ASP A 57 128.345 9.917 11.588 1.00 0.45 C ATOM 888 CG ASP A 57 127.626 9.449 12.853 1.00 0.47 C ATOM 889 OD1 ASP A 57 126.680 8.688 12.726 1.00 0.64 O ATOM 890 OD2 ASP A 57 128.034 9.855 13.929 1.00 0.73 O ATOM 0 H ASP A 57 129.818 7.897 11.796 1.00 0.40 H new ATOM 0 HA ASP A 57 127.313 8.409 10.440 1.00 0.41 H new ATOM 0 HB2 ASP A 57 129.373 10.193 11.822 1.00 0.45 H new ATOM 0 HB3 ASP A 57 127.859 10.807 11.189 1.00 0.45 H new ATOM 895 N LEU A 58 130.055 9.461 8.999 1.00 0.40 N ATOM 896 CA LEU A 58 130.531 9.988 7.691 1.00 0.40 C ATOM 897 C LEU A 58 130.251 8.948 6.606 1.00 0.37 C ATOM 898 O LEU A 58 129.857 9.278 5.504 1.00 0.38 O ATOM 899 CB LEU A 58 132.030 10.284 7.744 1.00 0.40 C ATOM 900 CG LEU A 58 132.305 11.453 8.703 1.00 0.47 C ATOM 901 CD1 LEU A 58 133.819 11.615 8.876 1.00 0.45 C ATOM 902 CD2 LEU A 58 131.705 12.762 8.144 1.00 0.55 C ATOM 0 H LEU A 58 130.783 9.220 9.672 1.00 0.40 H new ATOM 0 HA LEU A 58 130.004 10.915 7.466 1.00 0.40 H new ATOM 0 HB2 LEU A 58 132.572 9.398 8.074 1.00 0.40 H new ATOM 0 HB3 LEU A 58 132.396 10.528 6.747 1.00 0.40 H new ATOM 0 HG LEU A 58 131.841 11.241 9.666 1.00 0.47 H new ATOM 0 HD11 LEU A 58 134.021 12.443 9.555 1.00 0.45 H new ATOM 0 HD12 LEU A 58 134.238 10.697 9.288 1.00 0.45 H new ATOM 0 HD13 LEU A 58 134.276 11.820 7.908 1.00 0.45 H new ATOM 0 HD21 LEU A 58 131.909 13.580 8.835 1.00 0.55 H new ATOM 0 HD22 LEU A 58 132.155 12.984 7.176 1.00 0.55 H new ATOM 0 HD23 LEU A 58 130.628 12.647 8.025 1.00 0.55 H new ATOM 914 N PHE A 59 130.429 7.693 6.913 1.00 0.36 N ATOM 915 CA PHE A 59 130.149 6.635 5.903 1.00 0.35 C ATOM 916 C PHE A 59 128.660 6.635 5.544 1.00 0.35 C ATOM 917 O PHE A 59 128.291 6.648 4.387 1.00 0.35 O ATOM 918 CB PHE A 59 130.545 5.271 6.467 1.00 0.34 C ATOM 919 CG PHE A 59 130.185 4.191 5.475 1.00 0.33 C ATOM 920 CD1 PHE A 59 131.102 3.810 4.489 1.00 0.35 C ATOM 921 CD2 PHE A 59 128.935 3.564 5.548 1.00 0.36 C ATOM 922 CE1 PHE A 59 130.770 2.804 3.573 1.00 0.36 C ATOM 923 CE2 PHE A 59 128.602 2.558 4.634 1.00 0.38 C ATOM 924 CZ PHE A 59 129.519 2.178 3.646 1.00 0.36 C ATOM 0 H PHE A 59 130.756 7.355 7.818 1.00 0.36 H new ATOM 0 HA PHE A 59 130.730 6.837 5.003 1.00 0.35 H new ATOM 0 HB2 PHE A 59 131.615 5.248 6.673 1.00 0.34 H new ATOM 0 HB3 PHE A 59 130.034 5.095 7.414 1.00 0.34 H new ATOM 0 HD1 PHE A 59 132.067 4.292 4.434 1.00 0.35 H new ATOM 0 HD2 PHE A 59 128.228 3.857 6.310 1.00 0.36 H new ATOM 0 HE1 PHE A 59 131.478 2.511 2.811 1.00 0.36 H new ATOM 0 HE2 PHE A 59 127.638 2.075 4.691 1.00 0.38 H new ATOM 0 HZ PHE A 59 129.262 1.402 2.940 1.00 0.36 H new ATOM 934 N ARG A 60 127.798 6.605 6.530 1.00 0.37 N ATOM 935 CA ARG A 60 126.338 6.586 6.233 1.00 0.38 C ATOM 936 C ARG A 60 125.941 7.867 5.501 1.00 0.39 C ATOM 937 O ARG A 60 125.207 7.835 4.533 1.00 0.39 O ATOM 938 CB ARG A 60 125.531 6.475 7.540 1.00 0.42 C ATOM 939 CG ARG A 60 125.759 5.094 8.200 1.00 0.43 C ATOM 940 CD ARG A 60 124.514 4.657 8.998 1.00 0.50 C ATOM 941 NE ARG A 60 123.801 5.849 9.569 1.00 1.31 N ATOM 942 CZ ARG A 60 124.420 6.739 10.300 1.00 1.55 C ATOM 943 NH1 ARG A 60 125.666 6.567 10.644 1.00 1.16 N ATOM 944 NH2 ARG A 60 123.771 7.788 10.726 1.00 2.64 N ATOM 0 H ARG A 60 128.043 6.593 7.520 1.00 0.37 H new ATOM 0 HA ARG A 60 126.121 5.723 5.603 1.00 0.38 H new ATOM 0 HB2 ARG A 60 125.829 7.267 8.227 1.00 0.42 H new ATOM 0 HB3 ARG A 60 124.470 6.615 7.333 1.00 0.42 H new ATOM 0 HG2 ARG A 60 125.984 4.352 7.434 1.00 0.43 H new ATOM 0 HG3 ARG A 60 126.623 5.141 8.862 1.00 0.43 H new ATOM 0 HD2 ARG A 60 123.838 4.100 8.350 1.00 0.50 H new ATOM 0 HD3 ARG A 60 124.810 3.985 9.803 1.00 0.50 H new ATOM 0 HE ARG A 60 122.805 5.968 9.381 1.00 1.31 H new ATOM 0 HH11 ARG A 60 126.168 5.732 10.343 1.00 1.16 H new ATOM 0 HH12 ARG A 60 126.139 7.268 11.214 1.00 1.16 H new ATOM 0 HH21 ARG A 60 122.787 7.910 10.488 1.00 2.64 H new ATOM 0 HH22 ARG A 60 124.248 8.486 11.297 1.00 2.64 H new ATOM 958 N GLU A 61 126.426 8.997 5.940 1.00 0.41 N ATOM 959 CA GLU A 61 126.082 10.270 5.252 1.00 0.44 C ATOM 960 C GLU A 61 126.644 10.229 3.829 1.00 0.42 C ATOM 961 O GLU A 61 126.011 10.665 2.889 1.00 0.42 O ATOM 962 CB GLU A 61 126.696 11.443 6.021 1.00 0.48 C ATOM 963 CG GLU A 61 126.247 12.764 5.395 1.00 1.29 C ATOM 964 CD GLU A 61 126.700 13.927 6.280 1.00 1.76 C ATOM 965 OE1 GLU A 61 127.313 13.665 7.301 1.00 2.37 O ATOM 966 OE2 GLU A 61 126.425 15.061 5.922 1.00 2.32 O ATOM 0 H GLU A 61 127.045 9.092 6.745 1.00 0.41 H new ATOM 0 HA GLU A 61 125.000 10.396 5.214 1.00 0.44 H new ATOM 0 HB2 GLU A 61 126.391 11.403 7.067 1.00 0.48 H new ATOM 0 HB3 GLU A 61 127.784 11.372 6.003 1.00 0.48 H new ATOM 0 HG2 GLU A 61 126.669 12.867 4.396 1.00 1.29 H new ATOM 0 HG3 GLU A 61 125.163 12.777 5.286 1.00 1.29 H new ATOM 973 N TRP A 62 127.825 9.702 3.664 1.00 0.40 N ATOM 974 CA TRP A 62 128.422 9.626 2.300 1.00 0.38 C ATOM 975 C TRP A 62 127.604 8.687 1.407 1.00 0.36 C ATOM 976 O TRP A 62 127.298 9.004 0.279 1.00 0.36 O ATOM 977 CB TRP A 62 129.867 9.105 2.397 1.00 0.38 C ATOM 978 CG TRP A 62 130.371 8.735 1.031 1.00 0.36 C ATOM 979 CD1 TRP A 62 130.966 9.581 0.160 1.00 0.38 C ATOM 980 CD2 TRP A 62 130.311 7.438 0.366 1.00 0.34 C ATOM 981 NE1 TRP A 62 131.278 8.886 -0.997 1.00 0.37 N ATOM 982 CE2 TRP A 62 130.894 7.560 -0.918 1.00 0.35 C ATOM 983 CE3 TRP A 62 129.813 6.177 0.749 1.00 0.32 C ATOM 984 CZ2 TRP A 62 130.979 6.471 -1.790 1.00 0.34 C ATOM 985 CZ3 TRP A 62 129.898 5.082 -0.125 1.00 0.31 C ATOM 986 CH2 TRP A 62 130.480 5.229 -1.390 1.00 0.32 C ATOM 0 H TRP A 62 128.403 9.321 4.413 1.00 0.40 H new ATOM 0 HA TRP A 62 128.417 10.624 1.862 1.00 0.38 H new ATOM 0 HB2 TRP A 62 130.509 9.868 2.836 1.00 0.38 H new ATOM 0 HB3 TRP A 62 129.906 8.238 3.056 1.00 0.38 H new ATOM 0 HD1 TRP A 62 131.165 10.628 0.337 1.00 0.38 H new ATOM 0 HE1 TRP A 62 131.735 9.302 -1.808 1.00 0.37 H new ATOM 0 HE3 TRP A 62 129.362 6.052 1.723 1.00 0.32 H new ATOM 0 HZ2 TRP A 62 131.427 6.589 -2.766 1.00 0.34 H new ATOM 0 HZ3 TRP A 62 129.512 4.120 0.180 1.00 0.31 H new ATOM 0 HH2 TRP A 62 130.543 4.382 -2.057 1.00 0.32 H new ATOM 997 N LEU A 63 127.254 7.535 1.900 1.00 0.34 N ATOM 998 CA LEU A 63 126.468 6.579 1.070 1.00 0.32 C ATOM 999 C LEU A 63 125.067 7.137 0.814 1.00 0.33 C ATOM 1000 O LEU A 63 124.594 7.169 -0.305 1.00 0.32 O ATOM 1001 CB LEU A 63 126.371 5.240 1.814 1.00 0.31 C ATOM 1002 CG LEU A 63 125.531 4.238 1.009 1.00 0.31 C ATOM 1003 CD1 LEU A 63 126.160 4.004 -0.375 1.00 0.30 C ATOM 1004 CD2 LEU A 63 125.469 2.914 1.780 1.00 0.32 C ATOM 0 H LEU A 63 127.477 7.212 2.841 1.00 0.34 H new ATOM 0 HA LEU A 63 126.964 6.432 0.110 1.00 0.32 H new ATOM 0 HB2 LEU A 63 127.370 4.836 1.980 1.00 0.31 H new ATOM 0 HB3 LEU A 63 125.922 5.394 2.795 1.00 0.31 H new ATOM 0 HG LEU A 63 124.526 4.636 0.869 1.00 0.31 H new ATOM 0 HD11 LEU A 63 125.554 3.292 -0.934 1.00 0.30 H new ATOM 0 HD12 LEU A 63 126.205 4.948 -0.919 1.00 0.30 H new ATOM 0 HD13 LEU A 63 127.168 3.607 -0.254 1.00 0.30 H new ATOM 0 HD21 LEU A 63 124.875 2.193 1.218 1.00 0.32 H new ATOM 0 HD22 LEU A 63 126.478 2.525 1.916 1.00 0.32 H new ATOM 0 HD23 LEU A 63 125.010 3.082 2.754 1.00 0.32 H new ATOM 1016 N LYS A 64 124.402 7.573 1.843 1.00 0.35 N ATOM 1017 CA LYS A 64 123.031 8.129 1.674 1.00 0.37 C ATOM 1018 C LYS A 64 123.072 9.349 0.752 1.00 0.39 C ATOM 1019 O LYS A 64 122.299 9.468 -0.178 1.00 0.39 O ATOM 1020 CB LYS A 64 122.474 8.531 3.040 1.00 0.41 C ATOM 1021 CG LYS A 64 121.055 9.078 2.872 1.00 0.43 C ATOM 1022 CD LYS A 64 120.399 9.245 4.248 1.00 0.68 C ATOM 1023 CE LYS A 64 121.078 10.380 5.022 1.00 1.25 C ATOM 1024 NZ LYS A 64 120.220 10.773 6.174 1.00 2.11 N ATOM 0 H LYS A 64 124.750 7.569 2.802 1.00 0.35 H new ATOM 0 HA LYS A 64 122.387 7.371 1.228 1.00 0.37 H new ATOM 0 HB2 LYS A 64 122.467 7.671 3.709 1.00 0.41 H new ATOM 0 HB3 LYS A 64 123.114 9.285 3.498 1.00 0.41 H new ATOM 0 HG2 LYS A 64 121.083 10.036 2.353 1.00 0.43 H new ATOM 0 HG3 LYS A 64 120.464 8.400 2.257 1.00 0.43 H new ATOM 0 HD2 LYS A 64 119.337 9.460 4.129 1.00 0.68 H new ATOM 0 HD3 LYS A 64 120.475 8.315 4.811 1.00 0.68 H new ATOM 0 HE2 LYS A 64 122.057 10.059 5.376 1.00 1.25 H new ATOM 0 HE3 LYS A 64 121.241 11.236 4.367 1.00 1.25 H new ATOM 0 HZ1 LYS A 64 120.678 11.543 6.701 1.00 2.11 H new ATOM 0 HZ2 LYS A 64 119.295 11.095 5.824 1.00 2.11 H new ATOM 0 HZ3 LYS A 64 120.086 9.955 6.802 1.00 2.11 H new ATOM 1038 N ASP A 65 123.969 10.257 1.014 1.00 0.41 N ATOM 1039 CA ASP A 65 124.074 11.480 0.170 1.00 0.45 C ATOM 1040 C ASP A 65 124.591 11.109 -1.220 1.00 0.43 C ATOM 1041 O ASP A 65 124.314 11.777 -2.195 1.00 0.46 O ATOM 1042 CB ASP A 65 125.044 12.469 0.820 1.00 0.49 C ATOM 1043 CG ASP A 65 124.922 13.830 0.132 1.00 1.17 C ATOM 1044 OD1 ASP A 65 124.768 13.849 -1.078 1.00 1.90 O ATOM 1045 OD2 ASP A 65 124.994 14.831 0.826 1.00 1.42 O ATOM 0 H ASP A 65 124.639 10.205 1.782 1.00 0.41 H new ATOM 0 HA ASP A 65 123.088 11.936 0.080 1.00 0.45 H new ATOM 0 HB2 ASP A 65 124.823 12.566 1.883 1.00 0.49 H new ATOM 0 HB3 ASP A 65 126.066 12.099 0.739 1.00 0.49 H new ATOM 1050 N THR A 66 125.370 10.065 -1.313 1.00 0.40 N ATOM 1051 CA THR A 66 125.938 9.673 -2.632 1.00 0.39 C ATOM 1052 C THR A 66 124.907 8.916 -3.470 1.00 0.39 C ATOM 1053 O THR A 66 124.914 9.027 -4.680 1.00 0.41 O ATOM 1054 CB THR A 66 127.171 8.787 -2.415 1.00 0.38 C ATOM 1055 OG1 THR A 66 128.195 9.555 -1.797 1.00 0.37 O ATOM 1056 CG2 THR A 66 127.678 8.270 -3.761 1.00 0.39 C ATOM 0 H THR A 66 125.637 9.467 -0.531 1.00 0.40 H new ATOM 0 HA THR A 66 126.220 10.579 -3.169 1.00 0.39 H new ATOM 0 HB THR A 66 126.902 7.943 -1.779 1.00 0.38 H new ATOM 0 HG1 THR A 66 127.908 9.819 -0.898 1.00 0.37 H new ATOM 0 HG21 THR A 66 128.554 7.641 -3.603 1.00 0.39 H new ATOM 0 HG22 THR A 66 126.895 7.686 -4.245 1.00 0.39 H new ATOM 0 HG23 THR A 66 127.947 9.113 -4.397 1.00 0.39 H new ATOM 1064 N CYS A 67 124.044 8.120 -2.874 1.00 0.37 N ATOM 1065 CA CYS A 67 123.057 7.338 -3.691 1.00 0.38 C ATOM 1066 C CYS A 67 121.637 7.471 -3.143 1.00 0.37 C ATOM 1067 O CYS A 67 120.673 7.384 -3.879 1.00 0.40 O ATOM 1068 CB CYS A 67 123.461 5.864 -3.671 1.00 0.37 C ATOM 1069 SG CYS A 67 123.233 5.198 -2.004 1.00 0.36 S ATOM 0 H CYS A 67 123.981 7.980 -1.866 1.00 0.37 H new ATOM 0 HA CYS A 67 123.065 7.733 -4.707 1.00 0.38 H new ATOM 0 HB2 CYS A 67 122.859 5.301 -4.384 1.00 0.37 H new ATOM 0 HB3 CYS A 67 124.501 5.757 -3.978 1.00 0.37 H new ATOM 0 HG CYS A 67 124.063 5.777 -1.188 1.00 0.36 H new ATOM 1075 N GLY A 68 121.492 7.669 -1.856 1.00 0.36 N ATOM 1076 CA GLY A 68 120.128 7.795 -1.250 1.00 0.36 C ATOM 1077 C GLY A 68 119.801 6.522 -0.466 1.00 0.34 C ATOM 1078 O GLY A 68 118.668 6.288 -0.097 1.00 0.34 O ATOM 0 H GLY A 68 122.264 7.749 -1.194 1.00 0.36 H new ATOM 0 HA2 GLY A 68 120.090 8.662 -0.590 1.00 0.36 H new ATOM 0 HA3 GLY A 68 119.384 7.956 -2.031 1.00 0.36 H new ATOM 1082 N ALA A 69 120.781 5.699 -0.198 1.00 0.33 N ATOM 1083 CA ALA A 69 120.506 4.451 0.573 1.00 0.32 C ATOM 1084 C ALA A 69 119.727 4.809 1.839 1.00 0.31 C ATOM 1085 O ALA A 69 119.816 5.913 2.338 1.00 0.32 O ATOM 1086 CB ALA A 69 121.827 3.784 0.959 1.00 0.32 C ATOM 0 H ALA A 69 121.753 5.835 -0.477 1.00 0.33 H new ATOM 0 HA ALA A 69 119.922 3.763 -0.038 1.00 0.32 H new ATOM 0 HB1 ALA A 69 121.624 2.873 1.522 1.00 0.32 H new ATOM 0 HB2 ALA A 69 122.387 3.536 0.057 1.00 0.32 H new ATOM 0 HB3 ALA A 69 122.413 4.467 1.574 1.00 0.32 H new ATOM 1092 N ASN A 70 118.952 3.895 2.358 1.00 0.30 N ATOM 1093 CA ASN A 70 118.159 4.199 3.586 1.00 0.30 C ATOM 1094 C ASN A 70 118.970 3.830 4.829 1.00 0.30 C ATOM 1095 O ASN A 70 120.026 3.235 4.745 1.00 0.29 O ATOM 1096 CB ASN A 70 116.861 3.391 3.569 1.00 0.30 C ATOM 1097 CG ASN A 70 116.022 3.790 2.352 1.00 1.06 C ATOM 1098 OD1 ASN A 70 115.737 2.971 1.502 1.00 1.90 O ATOM 1099 ND2 ASN A 70 115.610 5.023 2.235 1.00 1.77 N ATOM 0 H ASN A 70 118.833 2.953 1.986 1.00 0.30 H new ATOM 0 HA ASN A 70 117.927 5.264 3.609 1.00 0.30 H new ATOM 0 HB2 ASN A 70 117.085 2.325 3.535 1.00 0.30 H new ATOM 0 HB3 ASN A 70 116.298 3.569 4.485 1.00 0.30 H new ATOM 0 HD21 ASN A 70 115.048 5.299 1.429 1.00 1.77 H new ATOM 0 HD22 ASN A 70 115.850 5.711 2.949 1.00 1.77 H new ATOM 1106 N ALA A 71 118.486 4.199 5.980 1.00 0.32 N ATOM 1107 CA ALA A 71 119.219 3.899 7.241 1.00 0.34 C ATOM 1108 C ALA A 71 119.402 2.388 7.416 1.00 0.32 C ATOM 1109 O ALA A 71 120.393 1.943 7.953 1.00 0.32 O ATOM 1110 CB ALA A 71 118.428 4.452 8.428 1.00 0.39 C ATOM 0 H ALA A 71 117.606 4.700 6.103 1.00 0.32 H new ATOM 0 HA ALA A 71 120.202 4.367 7.193 1.00 0.34 H new ATOM 0 HB1 ALA A 71 118.961 4.235 9.354 1.00 0.39 H new ATOM 0 HB2 ALA A 71 118.315 5.531 8.319 1.00 0.39 H new ATOM 0 HB3 ALA A 71 117.443 3.985 8.458 1.00 0.39 H new ATOM 1116 N LYS A 72 118.466 1.591 6.986 1.00 0.30 N ATOM 1117 CA LYS A 72 118.630 0.121 7.168 1.00 0.29 C ATOM 1118 C LYS A 72 119.702 -0.408 6.213 1.00 0.27 C ATOM 1119 O LYS A 72 120.499 -1.254 6.569 1.00 0.27 O ATOM 1120 CB LYS A 72 117.294 -0.581 6.900 1.00 0.29 C ATOM 1121 CG LYS A 72 117.435 -2.086 7.153 1.00 1.18 C ATOM 1122 CD LYS A 72 116.087 -2.770 6.907 1.00 1.29 C ATOM 1123 CE LYS A 72 116.226 -4.277 7.135 1.00 2.11 C ATOM 1124 NZ LYS A 72 114.900 -4.931 6.950 1.00 2.58 N ATOM 0 H LYS A 72 117.606 1.886 6.523 1.00 0.30 H new ATOM 0 HA LYS A 72 118.942 -0.082 8.192 1.00 0.29 H new ATOM 0 HB2 LYS A 72 116.520 -0.166 7.545 1.00 0.29 H new ATOM 0 HB3 LYS A 72 116.980 -0.404 5.871 1.00 0.29 H new ATOM 0 HG2 LYS A 72 118.195 -2.507 6.495 1.00 1.18 H new ATOM 0 HG3 LYS A 72 117.765 -2.265 8.176 1.00 1.18 H new ATOM 0 HD2 LYS A 72 115.332 -2.359 7.577 1.00 1.29 H new ATOM 0 HD3 LYS A 72 115.750 -2.576 5.889 1.00 1.29 H new ATOM 0 HE2 LYS A 72 116.951 -4.696 6.437 1.00 2.11 H new ATOM 0 HE3 LYS A 72 116.602 -4.471 8.140 1.00 2.11 H new ATOM 0 HZ1 LYS A 72 114.993 -5.955 7.105 1.00 2.58 H new ATOM 0 HZ2 LYS A 72 114.221 -4.538 7.633 1.00 2.58 H new ATOM 0 HZ3 LYS A 72 114.559 -4.757 5.983 1.00 2.58 H new ATOM 1138 N GLN A 73 119.723 0.070 4.998 1.00 0.26 N ATOM 1139 CA GLN A 73 120.733 -0.421 4.020 1.00 0.25 C ATOM 1140 C GLN A 73 122.128 0.041 4.420 1.00 0.25 C ATOM 1141 O GLN A 73 123.091 -0.691 4.305 1.00 0.25 O ATOM 1142 CB GLN A 73 120.408 0.130 2.631 1.00 0.26 C ATOM 1143 CG GLN A 73 119.140 -0.534 2.097 1.00 0.29 C ATOM 1144 CD GLN A 73 118.757 0.109 0.763 1.00 1.24 C ATOM 1145 OE1 GLN A 73 118.953 1.292 0.567 1.00 2.12 O ATOM 1146 NE2 GLN A 73 118.218 -0.625 -0.171 1.00 1.88 N ATOM 0 H GLN A 73 119.083 0.780 4.641 1.00 0.26 H new ATOM 0 HA GLN A 73 120.705 -1.511 4.008 1.00 0.25 H new ATOM 0 HB2 GLN A 73 120.271 1.210 2.681 1.00 0.26 H new ATOM 0 HB3 GLN A 73 121.240 -0.055 1.952 1.00 0.26 H new ATOM 0 HG2 GLN A 73 119.304 -1.604 1.965 1.00 0.29 H new ATOM 0 HG3 GLN A 73 118.327 -0.422 2.815 1.00 0.29 H new ATOM 0 HE21 GLN A 73 118.053 -1.618 -0.008 1.00 1.88 H new ATOM 0 HE22 GLN A 73 117.962 -0.206 -1.065 1.00 1.88 H new ATOM 1155 N SER A 74 122.251 1.253 4.883 1.00 0.26 N ATOM 1156 CA SER A 74 123.583 1.766 5.281 1.00 0.27 C ATOM 1157 C SER A 74 124.087 1.014 6.513 1.00 0.26 C ATOM 1158 O SER A 74 125.255 0.699 6.621 1.00 0.26 O ATOM 1159 CB SER A 74 123.467 3.257 5.592 1.00 0.30 C ATOM 1160 OG SER A 74 123.024 3.942 4.428 1.00 1.36 O ATOM 0 H SER A 74 121.480 1.911 5.002 1.00 0.26 H new ATOM 0 HA SER A 74 124.292 1.614 4.467 1.00 0.27 H new ATOM 0 HB2 SER A 74 122.767 3.417 6.412 1.00 0.30 H new ATOM 0 HB3 SER A 74 124.431 3.650 5.915 1.00 0.30 H new ATOM 0 HG SER A 74 122.054 3.838 4.336 1.00 1.36 H new ATOM 1166 N ARG A 75 123.216 0.715 7.444 1.00 0.27 N ATOM 1167 CA ARG A 75 123.649 -0.024 8.663 1.00 0.28 C ATOM 1168 C ARG A 75 124.233 -1.375 8.257 1.00 0.26 C ATOM 1169 O ARG A 75 125.189 -1.841 8.845 1.00 0.27 O ATOM 1170 CB ARG A 75 122.444 -0.227 9.590 1.00 0.30 C ATOM 1171 CG ARG A 75 122.010 1.117 10.205 1.00 0.33 C ATOM 1172 CD ARG A 75 122.873 1.450 11.429 1.00 0.61 C ATOM 1173 NE ARG A 75 122.342 2.678 12.087 1.00 1.34 N ATOM 1174 CZ ARG A 75 122.732 2.994 13.291 1.00 1.81 C ATOM 1175 NH1 ARG A 75 123.601 2.246 13.914 1.00 1.88 N ATOM 1176 NH2 ARG A 75 122.254 4.061 13.874 1.00 2.80 N ATOM 0 H ARG A 75 122.224 0.952 7.410 1.00 0.27 H new ATOM 0 HA ARG A 75 124.412 0.549 9.190 1.00 0.28 H new ATOM 0 HB2 ARG A 75 121.616 -0.663 9.031 1.00 0.30 H new ATOM 0 HB3 ARG A 75 122.700 -0.931 10.382 1.00 0.30 H new ATOM 0 HG2 ARG A 75 122.100 1.910 9.462 1.00 0.33 H new ATOM 0 HG3 ARG A 75 120.960 1.069 10.495 1.00 0.33 H new ATOM 0 HD2 ARG A 75 122.867 0.616 12.131 1.00 0.61 H new ATOM 0 HD3 ARG A 75 123.909 1.604 11.127 1.00 0.61 H new ATOM 0 HE ARG A 75 121.674 3.271 11.596 1.00 1.34 H new ATOM 0 HH11 ARG A 75 123.976 1.413 13.460 1.00 1.88 H new ATOM 0 HH12 ARG A 75 123.905 2.494 14.855 1.00 1.88 H new ATOM 0 HH21 ARG A 75 121.576 4.647 13.388 1.00 2.80 H new ATOM 0 HH22 ARG A 75 122.559 4.308 14.815 1.00 2.80 H new ATOM 1190 N ASP A 76 123.665 -2.032 7.280 1.00 0.25 N ATOM 1191 CA ASP A 76 124.181 -3.365 6.867 1.00 0.24 C ATOM 1192 C ASP A 76 125.566 -3.231 6.242 1.00 0.23 C ATOM 1193 O ASP A 76 126.438 -4.045 6.474 1.00 0.23 O ATOM 1194 CB ASP A 76 123.225 -3.980 5.841 1.00 0.24 C ATOM 1195 CG ASP A 76 121.913 -4.369 6.527 1.00 0.25 C ATOM 1196 OD1 ASP A 76 121.921 -4.509 7.738 1.00 0.40 O ATOM 1197 OD2 ASP A 76 120.925 -4.520 5.829 1.00 0.39 O ATOM 0 H ASP A 76 122.861 -1.698 6.749 1.00 0.25 H new ATOM 0 HA ASP A 76 124.250 -4.004 7.747 1.00 0.24 H new ATOM 0 HB2 ASP A 76 123.030 -3.268 5.039 1.00 0.24 H new ATOM 0 HB3 ASP A 76 123.682 -4.858 5.384 1.00 0.24 H new ATOM 1202 N CYS A 77 125.788 -2.219 5.452 1.00 0.22 N ATOM 1203 CA CYS A 77 127.126 -2.056 4.824 1.00 0.22 C ATOM 1204 C CYS A 77 128.171 -1.750 5.899 1.00 0.22 C ATOM 1205 O CYS A 77 129.282 -2.233 5.842 1.00 0.21 O ATOM 1206 CB CYS A 77 127.074 -0.900 3.823 1.00 0.23 C ATOM 1207 SG CYS A 77 126.070 -1.380 2.394 1.00 0.24 S ATOM 0 H CYS A 77 125.104 -1.501 5.215 1.00 0.22 H new ATOM 0 HA CYS A 77 127.399 -2.978 4.311 1.00 0.22 H new ATOM 0 HB2 CYS A 77 126.651 -0.014 4.297 1.00 0.23 H new ATOM 0 HB3 CYS A 77 128.082 -0.639 3.501 1.00 0.23 H new ATOM 0 HG CYS A 77 125.869 -2.664 2.416 1.00 0.24 H new ATOM 1213 N PHE A 78 127.847 -0.943 6.871 1.00 0.23 N ATOM 1214 CA PHE A 78 128.861 -0.617 7.910 1.00 0.25 C ATOM 1215 C PHE A 78 129.330 -1.896 8.604 1.00 0.24 C ATOM 1216 O PHE A 78 130.498 -2.231 8.584 1.00 0.23 O ATOM 1217 CB PHE A 78 128.246 0.338 8.936 1.00 0.29 C ATOM 1218 CG PHE A 78 129.263 0.665 10.003 1.00 0.32 C ATOM 1219 CD1 PHE A 78 130.117 1.765 9.847 1.00 0.36 C ATOM 1220 CD2 PHE A 78 129.343 -0.124 11.156 1.00 0.38 C ATOM 1221 CE1 PHE A 78 131.053 2.072 10.842 1.00 0.41 C ATOM 1222 CE2 PHE A 78 130.278 0.182 12.151 1.00 0.43 C ATOM 1223 CZ PHE A 78 131.133 1.281 11.994 1.00 0.43 C ATOM 0 H PHE A 78 126.936 -0.500 6.990 1.00 0.23 H new ATOM 0 HA PHE A 78 129.720 -0.139 7.439 1.00 0.25 H new ATOM 0 HB2 PHE A 78 127.915 1.252 8.443 1.00 0.29 H new ATOM 0 HB3 PHE A 78 127.365 -0.117 9.388 1.00 0.29 H new ATOM 0 HD1 PHE A 78 130.053 2.376 8.959 1.00 0.36 H new ATOM 0 HD2 PHE A 78 128.683 -0.970 11.278 1.00 0.38 H new ATOM 0 HE1 PHE A 78 131.713 2.918 10.721 1.00 0.41 H new ATOM 0 HE2 PHE A 78 130.341 -0.429 13.040 1.00 0.43 H new ATOM 0 HZ PHE A 78 131.854 1.518 12.762 1.00 0.43 H new ATOM 1233 N GLY A 79 128.433 -2.612 9.223 1.00 0.25 N ATOM 1234 CA GLY A 79 128.828 -3.867 9.927 1.00 0.26 C ATOM 1235 C GLY A 79 129.426 -4.871 8.936 1.00 0.24 C ATOM 1236 O GLY A 79 130.313 -5.632 9.270 1.00 0.24 O ATOM 0 H GLY A 79 127.440 -2.383 9.273 1.00 0.25 H new ATOM 0 HA2 GLY A 79 129.554 -3.640 10.707 1.00 0.26 H new ATOM 0 HA3 GLY A 79 127.959 -4.305 10.418 1.00 0.26 H new ATOM 1240 N CYS A 80 128.947 -4.881 7.725 1.00 0.22 N ATOM 1241 CA CYS A 80 129.494 -5.840 6.722 1.00 0.22 C ATOM 1242 C CYS A 80 130.923 -5.448 6.355 1.00 0.22 C ATOM 1243 O CYS A 80 131.826 -6.260 6.398 1.00 0.23 O ATOM 1244 CB CYS A 80 128.623 -5.816 5.467 1.00 0.22 C ATOM 1245 SG CYS A 80 129.258 -7.015 4.267 1.00 0.25 S ATOM 0 H CYS A 80 128.204 -4.270 7.385 1.00 0.22 H new ATOM 0 HA CYS A 80 129.495 -6.843 7.149 1.00 0.22 H new ATOM 0 HB2 CYS A 80 127.591 -6.054 5.723 1.00 0.22 H new ATOM 0 HB3 CYS A 80 128.621 -4.817 5.032 1.00 0.22 H new ATOM 0 HG CYS A 80 129.187 -6.511 3.071 1.00 0.25 H new ATOM 1251 N LEU A 81 131.147 -4.209 6.022 1.00 0.21 N ATOM 1252 CA LEU A 81 132.536 -3.797 5.689 1.00 0.21 C ATOM 1253 C LEU A 81 133.375 -3.810 6.971 1.00 0.22 C ATOM 1254 O LEU A 81 134.521 -4.212 6.969 1.00 0.22 O ATOM 1255 CB LEU A 81 132.533 -2.383 5.102 1.00 0.22 C ATOM 1256 CG LEU A 81 131.698 -2.343 3.815 1.00 0.24 C ATOM 1257 CD1 LEU A 81 131.686 -0.908 3.275 1.00 0.30 C ATOM 1258 CD2 LEU A 81 132.295 -3.298 2.760 1.00 0.28 C ATOM 0 H LEU A 81 130.441 -3.475 5.966 1.00 0.21 H new ATOM 0 HA LEU A 81 132.956 -4.487 4.957 1.00 0.21 H new ATOM 0 HB2 LEU A 81 132.126 -1.681 5.830 1.00 0.22 H new ATOM 0 HB3 LEU A 81 133.555 -2.067 4.891 1.00 0.22 H new ATOM 0 HG LEU A 81 130.679 -2.664 4.033 1.00 0.24 H new ATOM 0 HD11 LEU A 81 131.095 -0.869 2.360 1.00 0.30 H new ATOM 0 HD12 LEU A 81 131.248 -0.243 4.019 1.00 0.30 H new ATOM 0 HD13 LEU A 81 132.707 -0.591 3.062 1.00 0.30 H new ATOM 0 HD21 LEU A 81 131.693 -3.260 1.852 1.00 0.28 H new ATOM 0 HD22 LEU A 81 133.316 -2.994 2.531 1.00 0.28 H new ATOM 0 HD23 LEU A 81 132.298 -4.316 3.151 1.00 0.28 H new ATOM 1270 N ARG A 82 132.813 -3.365 8.069 1.00 0.22 N ATOM 1271 CA ARG A 82 133.586 -3.348 9.345 1.00 0.24 C ATOM 1272 C ARG A 82 133.956 -4.772 9.756 1.00 0.25 C ATOM 1273 O ARG A 82 135.052 -5.025 10.216 1.00 0.26 O ATOM 1274 CB ARG A 82 132.755 -2.700 10.457 1.00 0.28 C ATOM 1275 CG ARG A 82 133.596 -2.634 11.738 1.00 0.33 C ATOM 1276 CD ARG A 82 132.813 -1.929 12.845 1.00 0.84 C ATOM 1277 NE ARG A 82 133.623 -1.933 14.095 1.00 1.41 N ATOM 1278 CZ ARG A 82 133.313 -1.137 15.080 1.00 1.95 C ATOM 1279 NH1 ARG A 82 132.309 -0.313 14.963 1.00 2.25 N ATOM 1280 NH2 ARG A 82 134.013 -1.161 16.182 1.00 2.73 N ATOM 0 H ARG A 82 131.857 -3.015 8.134 1.00 0.22 H new ATOM 0 HA ARG A 82 134.496 -2.769 9.190 1.00 0.24 H new ATOM 0 HB2 ARG A 82 132.444 -1.699 10.159 1.00 0.28 H new ATOM 0 HB3 ARG A 82 131.847 -3.277 10.633 1.00 0.28 H new ATOM 0 HG2 ARG A 82 133.866 -3.641 12.057 1.00 0.33 H new ATOM 0 HG3 ARG A 82 134.527 -2.101 11.544 1.00 0.33 H new ATOM 0 HD2 ARG A 82 132.583 -0.905 12.549 1.00 0.84 H new ATOM 0 HD3 ARG A 82 131.861 -2.434 13.012 1.00 0.84 H new ATOM 0 HE ARG A 82 134.423 -2.560 14.181 1.00 1.41 H new ATOM 0 HH11 ARG A 82 131.765 -0.291 14.100 1.00 2.25 H new ATOM 0 HH12 ARG A 82 132.067 0.309 15.734 1.00 2.25 H new ATOM 0 HH21 ARG A 82 134.801 -1.802 16.272 1.00 2.73 H new ATOM 0 HH22 ARG A 82 133.771 -0.539 16.953 1.00 2.73 H new ATOM 1294 N GLU A 83 133.058 -5.707 9.610 1.00 0.25 N ATOM 1295 CA GLU A 83 133.376 -7.106 10.012 1.00 0.28 C ATOM 1296 C GLU A 83 134.401 -7.694 9.048 1.00 0.27 C ATOM 1297 O GLU A 83 135.276 -8.436 9.446 1.00 0.29 O ATOM 1298 CB GLU A 83 132.097 -7.956 10.019 1.00 0.30 C ATOM 1299 CG GLU A 83 131.309 -7.672 11.303 1.00 0.33 C ATOM 1300 CD GLU A 83 130.031 -8.511 11.326 1.00 1.19 C ATOM 1301 OE1 GLU A 83 130.084 -9.622 11.826 1.00 1.56 O ATOM 1302 OE2 GLU A 83 129.022 -8.031 10.841 1.00 1.91 O ATOM 0 H GLU A 83 132.122 -5.564 9.231 1.00 0.25 H new ATOM 0 HA GLU A 83 133.795 -7.106 11.018 1.00 0.28 H new ATOM 0 HB2 GLU A 83 131.488 -7.724 9.146 1.00 0.30 H new ATOM 0 HB3 GLU A 83 132.349 -9.015 9.960 1.00 0.30 H new ATOM 0 HG2 GLU A 83 131.922 -7.903 12.174 1.00 0.33 H new ATOM 0 HG3 GLU A 83 131.060 -6.612 11.360 1.00 0.33 H new ATOM 1309 N TRP A 84 134.331 -7.361 7.789 1.00 0.25 N ATOM 1310 CA TRP A 84 135.336 -7.897 6.837 1.00 0.25 C ATOM 1311 C TRP A 84 136.704 -7.422 7.320 1.00 0.27 C ATOM 1312 O TRP A 84 137.661 -8.169 7.370 1.00 0.28 O ATOM 1313 CB TRP A 84 135.063 -7.337 5.444 1.00 0.25 C ATOM 1314 CG TRP A 84 135.941 -8.018 4.446 1.00 0.27 C ATOM 1315 CD1 TRP A 84 135.613 -9.140 3.763 1.00 0.30 C ATOM 1316 CD2 TRP A 84 137.278 -7.646 4.005 1.00 0.30 C ATOM 1317 NE1 TRP A 84 136.664 -9.478 2.929 1.00 0.33 N ATOM 1318 CE2 TRP A 84 137.713 -8.588 3.044 1.00 0.32 C ATOM 1319 CE3 TRP A 84 138.149 -6.594 4.342 1.00 0.31 C ATOM 1320 CZ2 TRP A 84 138.963 -8.492 2.436 1.00 0.36 C ATOM 1321 CZ3 TRP A 84 139.411 -6.493 3.732 1.00 0.35 C ATOM 1322 CH2 TRP A 84 139.817 -7.440 2.781 1.00 0.37 C ATOM 0 H TRP A 84 133.626 -6.746 7.383 1.00 0.25 H new ATOM 0 HA TRP A 84 135.294 -8.985 6.790 1.00 0.25 H new ATOM 0 HB2 TRP A 84 134.015 -7.484 5.181 1.00 0.25 H new ATOM 0 HB3 TRP A 84 135.247 -6.263 5.431 1.00 0.25 H new ATOM 0 HD1 TRP A 84 134.683 -9.682 3.854 1.00 0.30 H new ATOM 0 HE1 TRP A 84 136.664 -10.285 2.306 1.00 0.33 H new ATOM 0 HE3 TRP A 84 137.846 -5.860 5.074 1.00 0.31 H new ATOM 0 HZ2 TRP A 84 139.270 -9.224 1.704 1.00 0.36 H new ATOM 0 HZ3 TRP A 84 140.072 -5.681 3.997 1.00 0.35 H new ATOM 0 HH2 TRP A 84 140.788 -7.357 2.316 1.00 0.37 H new ATOM 1333 N CYS A 85 136.785 -6.176 7.696 1.00 0.27 N ATOM 1334 CA CYS A 85 138.069 -5.627 8.201 1.00 0.30 C ATOM 1335 C CYS A 85 138.481 -6.406 9.454 1.00 0.33 C ATOM 1336 O CYS A 85 139.636 -6.724 9.652 1.00 0.36 O ATOM 1337 CB CYS A 85 137.875 -4.145 8.540 1.00 0.33 C ATOM 1338 SG CYS A 85 137.894 -3.178 7.009 1.00 0.33 S ATOM 0 H CYS A 85 136.011 -5.512 7.674 1.00 0.27 H new ATOM 0 HA CYS A 85 138.849 -5.723 7.446 1.00 0.30 H new ATOM 0 HB2 CYS A 85 136.930 -4.000 9.064 1.00 0.33 H new ATOM 0 HB3 CYS A 85 138.666 -3.806 9.209 1.00 0.33 H new ATOM 0 HG CYS A 85 137.144 -2.126 7.151 1.00 0.33 H new ATOM 1344 N ASP A 86 137.533 -6.724 10.295 1.00 0.34 N ATOM 1345 CA ASP A 86 137.847 -7.497 11.534 1.00 0.39 C ATOM 1346 C ASP A 86 138.451 -8.855 11.166 1.00 0.41 C ATOM 1347 O ASP A 86 139.326 -9.358 11.842 1.00 0.43 O ATOM 1348 CB ASP A 86 136.571 -7.715 12.351 1.00 0.41 C ATOM 1349 CG ASP A 86 136.109 -6.386 12.951 1.00 0.42 C ATOM 1350 OD1 ASP A 86 136.940 -5.505 13.100 1.00 0.55 O ATOM 1351 OD2 ASP A 86 134.932 -6.273 13.256 1.00 0.51 O ATOM 0 H ASP A 86 136.549 -6.481 10.177 1.00 0.34 H new ATOM 0 HA ASP A 86 138.565 -6.931 12.127 1.00 0.39 H new ATOM 0 HB2 ASP A 86 135.788 -8.130 11.716 1.00 0.41 H new ATOM 0 HB3 ASP A 86 136.755 -8.439 13.145 1.00 0.41 H new ATOM 1356 N ALA A 87 137.969 -9.471 10.115 1.00 0.41 N ATOM 1357 CA ALA A 87 138.496 -10.815 9.727 1.00 0.43 C ATOM 1358 C ALA A 87 139.715 -10.672 8.813 1.00 0.43 C ATOM 1359 O ALA A 87 140.651 -11.442 8.903 1.00 0.48 O ATOM 1360 CB ALA A 87 137.403 -11.594 8.992 1.00 0.41 C ATOM 0 H ALA A 87 137.235 -9.102 9.510 1.00 0.41 H new ATOM 0 HA ALA A 87 138.794 -11.348 10.630 1.00 0.43 H new ATOM 0 HB1 ALA A 87 137.784 -12.575 8.707 1.00 0.41 H new ATOM 0 HB2 ALA A 87 136.540 -11.716 9.647 1.00 0.41 H new ATOM 0 HB3 ALA A 87 137.105 -11.047 8.097 1.00 0.41 H new ATOM 1366 N PHE A 88 139.708 -9.713 7.921 1.00 0.40 N ATOM 1367 CA PHE A 88 140.863 -9.548 6.985 1.00 0.44 C ATOM 1368 C PHE A 88 141.708 -8.351 7.402 1.00 0.54 C ATOM 1369 O PHE A 88 142.681 -8.478 8.117 1.00 1.24 O ATOM 1370 CB PHE A 88 140.343 -9.289 5.569 1.00 0.41 C ATOM 1371 CG PHE A 88 139.697 -10.534 5.019 1.00 0.39 C ATOM 1372 CD1 PHE A 88 140.464 -11.466 4.312 1.00 0.44 C ATOM 1373 CD2 PHE A 88 138.328 -10.752 5.209 1.00 0.35 C ATOM 1374 CE1 PHE A 88 139.863 -12.617 3.794 1.00 0.47 C ATOM 1375 CE2 PHE A 88 137.725 -11.901 4.688 1.00 0.40 C ATOM 1376 CZ PHE A 88 138.492 -12.834 3.981 1.00 0.45 C ATOM 0 H PHE A 88 138.953 -9.038 7.800 1.00 0.40 H new ATOM 0 HA PHE A 88 141.463 -10.458 7.013 1.00 0.44 H new ATOM 0 HB2 PHE A 88 139.622 -8.471 5.582 1.00 0.41 H new ATOM 0 HB3 PHE A 88 141.164 -8.980 4.922 1.00 0.41 H new ATOM 0 HD1 PHE A 88 141.521 -11.296 4.166 1.00 0.44 H new ATOM 0 HD2 PHE A 88 137.737 -10.033 5.758 1.00 0.35 H new ATOM 0 HE1 PHE A 88 140.455 -13.338 3.250 1.00 0.47 H new ATOM 0 HE2 PHE A 88 136.668 -12.068 4.831 1.00 0.40 H new ATOM 0 HZ PHE A 88 138.026 -13.722 3.579 1.00 0.45 H new ATOM 1386 N LEU A 89 141.353 -7.187 6.934 1.00 0.39 N ATOM 1387 CA LEU A 89 142.128 -5.963 7.258 1.00 0.36 C ATOM 1388 C LEU A 89 141.725 -5.450 8.641 1.00 0.87 C ATOM 1389 O LEU A 89 140.726 -4.762 8.728 1.00 1.43 O ATOM 1390 CB LEU A 89 141.796 -4.912 6.191 1.00 0.74 C ATOM 1391 CG LEU A 89 142.358 -3.544 6.577 1.00 0.47 C ATOM 1392 CD1 LEU A 89 143.844 -3.672 6.921 1.00 1.00 C ATOM 1393 CD2 LEU A 89 142.189 -2.595 5.387 1.00 1.28 C ATOM 1394 OXT LEU A 89 142.424 -5.760 9.592 1.00 1.66 O ATOM 0 H LEU A 89 140.545 -7.033 6.331 1.00 0.39 H new ATOM 0 HA LEU A 89 143.198 -6.172 7.268 1.00 0.36 H new ATOM 0 HB2 LEU A 89 142.208 -5.221 5.230 1.00 0.74 H new ATOM 0 HB3 LEU A 89 140.715 -4.843 6.067 1.00 0.74 H new ATOM 0 HG LEU A 89 141.826 -3.157 7.446 1.00 0.47 H new ATOM 0 HD11 LEU A 89 144.240 -2.694 7.195 1.00 1.00 H new ATOM 0 HD12 LEU A 89 143.966 -4.360 7.757 1.00 1.00 H new ATOM 0 HD13 LEU A 89 144.386 -4.053 6.056 1.00 1.00 H new ATOM 0 HD21 LEU A 89 142.585 -1.613 5.646 1.00 1.28 H new ATOM 0 HD22 LEU A 89 142.730 -2.990 4.527 1.00 1.28 H new ATOM 0 HD23 LEU A 89 141.131 -2.506 5.140 1.00 1.28 H new TER 1406 LEU A 89 ATOM 1407 N MET B 1 162.031 -7.455 -2.847 1.00 3.74 N ATOM 1408 CA MET B 1 162.347 -6.778 -4.138 1.00 3.26 C ATOM 1409 C MET B 1 163.472 -5.765 -3.915 1.00 2.28 C ATOM 1410 O MET B 1 163.394 -4.632 -4.347 1.00 2.68 O ATOM 1411 CB MET B 1 161.104 -6.048 -4.648 1.00 3.75 C ATOM 1412 CG MET B 1 159.972 -7.055 -4.866 1.00 4.33 C ATOM 1413 SD MET B 1 160.408 -8.170 -6.223 1.00 5.04 S ATOM 1414 CE MET B 1 159.540 -9.632 -5.603 1.00 5.66 C ATOM 0 H1 MET B 1 161.506 -8.333 -3.035 1.00 3.74 H new ATOM 0 H2 MET B 1 162.915 -7.681 -2.348 1.00 3.74 H new ATOM 0 H3 MET B 1 161.452 -6.824 -2.257 1.00 3.74 H new ATOM 0 HA MET B 1 162.661 -7.520 -4.872 1.00 3.26 H new ATOM 0 HB2 MET B 1 160.796 -5.288 -3.930 1.00 3.75 H new ATOM 0 HB3 MET B 1 161.330 -5.532 -5.581 1.00 3.75 H new ATOM 0 HG2 MET B 1 159.798 -7.626 -3.954 1.00 4.33 H new ATOM 0 HG3 MET B 1 159.044 -6.531 -5.096 1.00 4.33 H new ATOM 0 HE1 MET B 1 159.677 -10.459 -6.299 1.00 5.66 H new ATOM 0 HE2 MET B 1 159.942 -9.908 -4.628 1.00 5.66 H new ATOM 0 HE3 MET B 1 158.477 -9.411 -5.507 1.00 5.66 H new ATOM 1426 N THR B 2 164.513 -6.163 -3.239 1.00 1.63 N ATOM 1427 CA THR B 2 165.638 -5.221 -2.985 1.00 1.44 C ATOM 1428 C THR B 2 165.112 -4.018 -2.195 1.00 1.17 C ATOM 1429 O THR B 2 165.807 -3.044 -1.988 1.00 1.22 O ATOM 1430 CB THR B 2 166.223 -4.755 -4.329 1.00 2.22 C ATOM 1431 OG1 THR B 2 166.194 -5.836 -5.250 1.00 2.78 O ATOM 1432 CG2 THR B 2 167.669 -4.288 -4.138 1.00 3.02 C ATOM 0 H THR B 2 164.633 -7.099 -2.852 1.00 1.63 H new ATOM 0 HA THR B 2 166.420 -5.717 -2.410 1.00 1.44 H new ATOM 0 HB THR B 2 165.629 -3.925 -4.712 1.00 2.22 H new ATOM 0 HG1 THR B 2 166.564 -5.544 -6.109 1.00 2.78 H new ATOM 0 HG21 THR B 2 168.075 -3.960 -5.095 1.00 3.02 H new ATOM 0 HG22 THR B 2 167.693 -3.459 -3.430 1.00 3.02 H new ATOM 0 HG23 THR B 2 168.270 -5.112 -3.753 1.00 3.02 H new ATOM 1440 N THR B 3 163.883 -4.083 -1.751 1.00 0.96 N ATOM 1441 CA THR B 3 163.300 -2.953 -0.970 1.00 0.76 C ATOM 1442 C THR B 3 163.640 -3.124 0.515 1.00 0.69 C ATOM 1443 O THR B 3 164.137 -4.149 0.935 1.00 0.75 O ATOM 1444 CB THR B 3 161.779 -2.937 -1.154 1.00 0.69 C ATOM 1445 OG1 THR B 3 161.264 -4.245 -0.948 1.00 0.80 O ATOM 1446 CG2 THR B 3 161.437 -2.467 -2.570 1.00 0.76 C ATOM 0 H THR B 3 163.256 -4.874 -1.897 1.00 0.96 H new ATOM 0 HA THR B 3 163.717 -2.011 -1.327 1.00 0.76 H new ATOM 0 HB THR B 3 161.333 -2.254 -0.431 1.00 0.69 H new ATOM 0 HG1 THR B 3 160.809 -4.549 -1.761 1.00 0.80 H new ATOM 0 HG21 THR B 3 160.355 -2.457 -2.698 1.00 0.76 H new ATOM 0 HG22 THR B 3 161.831 -1.462 -2.725 1.00 0.76 H new ATOM 0 HG23 THR B 3 161.882 -3.147 -3.296 1.00 0.76 H new ATOM 1454 N SER B 4 163.378 -2.121 1.309 1.00 0.63 N ATOM 1455 CA SER B 4 163.687 -2.210 2.768 1.00 0.62 C ATOM 1456 C SER B 4 162.867 -3.334 3.407 1.00 0.60 C ATOM 1457 O SER B 4 161.902 -3.817 2.849 1.00 0.58 O ATOM 1458 CB SER B 4 163.336 -0.884 3.441 1.00 0.63 C ATOM 1459 OG SER B 4 164.279 0.106 3.050 1.00 1.50 O ATOM 0 H SER B 4 162.961 -1.239 1.010 1.00 0.63 H new ATOM 0 HA SER B 4 164.748 -2.421 2.898 1.00 0.62 H new ATOM 0 HB2 SER B 4 162.329 -0.575 3.159 1.00 0.63 H new ATOM 0 HB3 SER B 4 163.342 -1.000 4.525 1.00 0.63 H new ATOM 0 HG SER B 4 164.055 0.958 3.479 1.00 1.50 H new ATOM 1465 N GLN B 5 163.270 -3.759 4.577 1.00 0.63 N ATOM 1466 CA GLN B 5 162.553 -4.863 5.280 1.00 0.64 C ATOM 1467 C GLN B 5 161.081 -4.502 5.469 1.00 0.60 C ATOM 1468 O GLN B 5 160.235 -5.362 5.610 1.00 0.60 O ATOM 1469 CB GLN B 5 163.200 -5.090 6.651 1.00 0.71 C ATOM 1470 CG GLN B 5 163.108 -3.808 7.485 1.00 1.34 C ATOM 1471 CD GLN B 5 163.802 -4.020 8.833 1.00 1.59 C ATOM 1472 OE1 GLN B 5 164.421 -3.117 9.359 1.00 2.09 O ATOM 1473 NE2 GLN B 5 163.724 -5.183 9.419 1.00 2.18 N ATOM 0 H GLN B 5 164.074 -3.383 5.080 1.00 0.63 H new ATOM 0 HA GLN B 5 162.620 -5.771 4.680 1.00 0.64 H new ATOM 0 HB2 GLN B 5 162.700 -5.909 7.169 1.00 0.71 H new ATOM 0 HB3 GLN B 5 164.243 -5.381 6.528 1.00 0.71 H new ATOM 0 HG2 GLN B 5 163.575 -2.981 6.951 1.00 1.34 H new ATOM 0 HG3 GLN B 5 162.064 -3.538 7.641 1.00 1.34 H new ATOM 0 HE21 GLN B 5 163.204 -5.942 8.978 1.00 2.18 H new ATOM 0 HE22 GLN B 5 164.182 -5.333 10.318 1.00 2.18 H new ATOM 1482 N LYS B 6 160.766 -3.238 5.473 1.00 0.59 N ATOM 1483 CA LYS B 6 159.349 -2.825 5.652 1.00 0.57 C ATOM 1484 C LYS B 6 158.514 -3.416 4.519 1.00 0.51 C ATOM 1485 O LYS B 6 157.386 -3.826 4.711 1.00 0.50 O ATOM 1486 CB LYS B 6 159.252 -1.300 5.607 1.00 0.58 C ATOM 1487 CG LYS B 6 159.893 -0.708 6.865 1.00 0.66 C ATOM 1488 CD LYS B 6 159.798 0.823 6.831 1.00 0.80 C ATOM 1489 CE LYS B 6 160.672 1.390 5.704 1.00 1.25 C ATOM 1490 NZ LYS B 6 161.001 2.812 6.005 1.00 2.01 N ATOM 0 H LYS B 6 161.430 -2.472 5.360 1.00 0.59 H new ATOM 0 HA LYS B 6 158.980 -3.183 6.613 1.00 0.57 H new ATOM 0 HB2 LYS B 6 159.754 -0.920 4.717 1.00 0.58 H new ATOM 0 HB3 LYS B 6 158.208 -0.994 5.540 1.00 0.58 H new ATOM 0 HG2 LYS B 6 159.392 -1.092 7.754 1.00 0.66 H new ATOM 0 HG3 LYS B 6 160.937 -1.015 6.930 1.00 0.66 H new ATOM 0 HD2 LYS B 6 158.761 1.126 6.683 1.00 0.80 H new ATOM 0 HD3 LYS B 6 160.117 1.235 7.789 1.00 0.80 H new ATOM 0 HE2 LYS B 6 161.587 0.805 5.608 1.00 1.25 H new ATOM 0 HE3 LYS B 6 160.148 1.320 4.751 1.00 1.25 H new ATOM 0 HZ1 LYS B 6 161.593 3.200 5.243 1.00 2.01 H new ATOM 0 HZ2 LYS B 6 160.122 3.364 6.076 1.00 2.01 H new ATOM 0 HZ3 LYS B 6 161.517 2.866 6.906 1.00 2.01 H new ATOM 1504 N HIS B 7 159.053 -3.444 3.335 1.00 0.49 N ATOM 1505 CA HIS B 7 158.291 -3.985 2.179 1.00 0.45 C ATOM 1506 C HIS B 7 157.906 -5.445 2.416 1.00 0.45 C ATOM 1507 O HIS B 7 156.756 -5.815 2.293 1.00 0.43 O ATOM 1508 CB HIS B 7 159.159 -3.868 0.923 1.00 0.45 C ATOM 1509 CG HIS B 7 158.494 -4.555 -0.239 1.00 0.42 C ATOM 1510 ND1 HIS B 7 157.623 -3.893 -1.093 1.00 0.39 N ATOM 1511 CD2 HIS B 7 158.577 -5.842 -0.709 1.00 0.45 C ATOM 1512 CE1 HIS B 7 157.221 -4.778 -2.025 1.00 0.38 C ATOM 1513 NE2 HIS B 7 157.773 -5.977 -1.834 1.00 0.42 N ATOM 0 H HIS B 7 159.993 -3.114 3.117 1.00 0.49 H new ATOM 0 HA HIS B 7 157.372 -3.413 2.054 1.00 0.45 H new ATOM 0 HB2 HIS B 7 159.327 -2.817 0.685 1.00 0.45 H new ATOM 0 HB3 HIS B 7 160.137 -4.313 1.106 1.00 0.45 H new ATOM 0 HD2 HIS B 7 159.175 -6.628 -0.272 1.00 0.45 H new ATOM 0 HE1 HIS B 7 156.537 -4.546 -2.827 1.00 0.38 H new ATOM 0 HE2 HIS B 7 157.634 -6.817 -2.396 1.00 0.42 H new ATOM 1521 N ARG B 8 158.852 -6.286 2.754 1.00 0.48 N ATOM 1522 CA ARG B 8 158.539 -7.719 2.996 1.00 0.50 C ATOM 1523 C ARG B 8 157.731 -7.860 4.284 1.00 0.51 C ATOM 1524 O ARG B 8 156.861 -8.698 4.397 1.00 0.51 O ATOM 1525 CB ARG B 8 159.851 -8.494 3.119 1.00 0.55 C ATOM 1526 CG ARG B 8 160.530 -8.552 1.750 1.00 0.57 C ATOM 1527 CD ARG B 8 161.887 -9.243 1.882 1.00 1.00 C ATOM 1528 NE ARG B 8 162.786 -8.403 2.723 1.00 1.70 N ATOM 1529 CZ ARG B 8 163.882 -8.909 3.217 1.00 2.29 C ATOM 1530 NH1 ARG B 8 164.185 -10.158 2.989 1.00 2.43 N ATOM 1531 NH2 ARG B 8 164.673 -8.167 3.942 1.00 3.23 N ATOM 0 H ARG B 8 159.833 -6.035 2.872 1.00 0.48 H new ATOM 0 HA ARG B 8 157.952 -8.116 2.168 1.00 0.50 H new ATOM 0 HB2 ARG B 8 160.506 -8.010 3.843 1.00 0.55 H new ATOM 0 HB3 ARG B 8 159.659 -9.502 3.486 1.00 0.55 H new ATOM 0 HG2 ARG B 8 159.901 -9.094 1.043 1.00 0.57 H new ATOM 0 HG3 ARG B 8 160.660 -7.545 1.354 1.00 0.57 H new ATOM 0 HD2 ARG B 8 161.764 -10.228 2.332 1.00 1.00 H new ATOM 0 HD3 ARG B 8 162.328 -9.395 0.897 1.00 1.00 H new ATOM 0 HE ARG B 8 162.544 -7.431 2.913 1.00 1.70 H new ATOM 0 HH11 ARG B 8 163.565 -10.738 2.424 1.00 2.43 H new ATOM 0 HH12 ARG B 8 165.042 -10.554 3.375 1.00 2.43 H new ATOM 0 HH21 ARG B 8 164.434 -7.192 4.122 1.00 3.23 H new ATOM 0 HH22 ARG B 8 165.530 -8.562 4.329 1.00 3.23 H new ATOM 1545 N ASP B 9 158.017 -7.044 5.258 1.00 0.52 N ATOM 1546 CA ASP B 9 157.272 -7.133 6.544 1.00 0.54 C ATOM 1547 C ASP B 9 155.810 -6.764 6.309 1.00 0.49 C ATOM 1548 O ASP B 9 154.907 -7.352 6.869 1.00 0.48 O ATOM 1549 CB ASP B 9 157.874 -6.159 7.555 1.00 0.61 C ATOM 1550 CG ASP B 9 159.255 -6.654 7.985 1.00 0.68 C ATOM 1551 OD1 ASP B 9 159.505 -7.841 7.856 1.00 0.67 O ATOM 1552 OD2 ASP B 9 160.042 -5.835 8.431 1.00 0.76 O ATOM 0 H ASP B 9 158.734 -6.319 5.220 1.00 0.52 H new ATOM 0 HA ASP B 9 157.341 -8.150 6.929 1.00 0.54 H new ATOM 0 HB2 ASP B 9 157.954 -5.165 7.115 1.00 0.61 H new ATOM 0 HB3 ASP B 9 157.221 -6.071 8.424 1.00 0.61 H new ATOM 1557 N PHE B 10 155.573 -5.775 5.498 1.00 0.46 N ATOM 1558 CA PHE B 10 154.171 -5.351 5.244 1.00 0.43 C ATOM 1559 C PHE B 10 153.390 -6.491 4.574 1.00 0.37 C ATOM 1560 O PHE B 10 152.301 -6.837 4.987 1.00 0.36 O ATOM 1561 CB PHE B 10 154.181 -4.122 4.333 1.00 0.45 C ATOM 1562 CG PHE B 10 152.812 -3.491 4.318 1.00 0.43 C ATOM 1563 CD1 PHE B 10 152.423 -2.648 5.365 1.00 0.44 C ATOM 1564 CD2 PHE B 10 151.935 -3.741 3.259 1.00 0.43 C ATOM 1565 CE1 PHE B 10 151.156 -2.057 5.355 1.00 0.44 C ATOM 1566 CE2 PHE B 10 150.666 -3.148 3.247 1.00 0.43 C ATOM 1567 CZ PHE B 10 150.277 -2.306 4.295 1.00 0.43 C ATOM 0 H PHE B 10 156.287 -5.243 5.001 1.00 0.46 H new ATOM 0 HA PHE B 10 153.687 -5.105 6.189 1.00 0.43 H new ATOM 0 HB2 PHE B 10 154.920 -3.402 4.685 1.00 0.45 H new ATOM 0 HB3 PHE B 10 154.471 -4.409 3.322 1.00 0.45 H new ATOM 0 HD1 PHE B 10 153.102 -2.454 6.182 1.00 0.44 H new ATOM 0 HD2 PHE B 10 152.235 -4.391 2.450 1.00 0.43 H new ATOM 0 HE1 PHE B 10 150.856 -1.409 6.165 1.00 0.44 H new ATOM 0 HE2 PHE B 10 149.988 -3.341 2.429 1.00 0.43 H new ATOM 0 HZ PHE B 10 149.299 -1.849 4.286 1.00 0.43 H new ATOM 1577 N VAL B 11 153.931 -7.067 3.532 1.00 0.37 N ATOM 1578 CA VAL B 11 153.220 -8.174 2.817 1.00 0.35 C ATOM 1579 C VAL B 11 153.515 -9.536 3.466 1.00 0.36 C ATOM 1580 O VAL B 11 153.094 -10.563 2.972 1.00 0.37 O ATOM 1581 CB VAL B 11 153.688 -8.200 1.363 1.00 0.37 C ATOM 1582 CG1 VAL B 11 153.422 -6.836 0.719 1.00 0.44 C ATOM 1583 CG2 VAL B 11 155.187 -8.497 1.323 1.00 0.40 C ATOM 0 H VAL B 11 154.840 -6.818 3.142 1.00 0.37 H new ATOM 0 HA VAL B 11 152.147 -7.993 2.874 1.00 0.35 H new ATOM 0 HB VAL B 11 153.146 -8.972 0.816 1.00 0.37 H new ATOM 0 HG11 VAL B 11 153.755 -6.852 -0.319 1.00 0.44 H new ATOM 0 HG12 VAL B 11 152.354 -6.619 0.754 1.00 0.44 H new ATOM 0 HG13 VAL B 11 153.967 -6.064 1.263 1.00 0.44 H new ATOM 0 HG21 VAL B 11 155.526 -8.517 0.287 1.00 0.40 H new ATOM 0 HG22 VAL B 11 155.726 -7.721 1.867 1.00 0.40 H new ATOM 0 HG23 VAL B 11 155.379 -9.465 1.786 1.00 0.40 H new ATOM 1593 N ALA B 12 154.208 -9.559 4.578 1.00 0.41 N ATOM 1594 CA ALA B 12 154.499 -10.866 5.263 1.00 0.47 C ATOM 1595 C ALA B 12 153.519 -11.081 6.418 1.00 0.45 C ATOM 1596 O ALA B 12 153.340 -12.185 6.894 1.00 0.48 O ATOM 1597 CB ALA B 12 155.925 -10.861 5.812 1.00 0.53 C ATOM 0 H ALA B 12 154.586 -8.734 5.043 1.00 0.41 H new ATOM 0 HA ALA B 12 154.390 -11.672 4.537 1.00 0.47 H new ATOM 0 HB1 ALA B 12 156.128 -11.811 6.307 1.00 0.53 H new ATOM 0 HB2 ALA B 12 156.630 -10.721 4.993 1.00 0.53 H new ATOM 0 HB3 ALA B 12 156.036 -10.048 6.529 1.00 0.53 H new ATOM 1603 N GLU B 13 152.882 -10.037 6.877 1.00 0.42 N ATOM 1604 CA GLU B 13 151.914 -10.180 8.006 1.00 0.43 C ATOM 1605 C GLU B 13 150.849 -9.080 7.892 1.00 0.39 C ATOM 1606 O GLU B 13 151.123 -8.016 7.376 1.00 0.36 O ATOM 1607 CB GLU B 13 152.665 -10.027 9.333 1.00 0.46 C ATOM 1608 CG GLU B 13 153.554 -8.782 9.277 1.00 0.48 C ATOM 1609 CD GLU B 13 154.057 -8.449 10.683 1.00 0.62 C ATOM 1610 OE1 GLU B 13 153.239 -8.085 11.513 1.00 1.27 O ATOM 1611 OE2 GLU B 13 155.250 -8.564 10.907 1.00 1.04 O ATOM 0 H GLU B 13 152.990 -9.088 6.518 1.00 0.42 H new ATOM 0 HA GLU B 13 151.437 -11.159 7.967 1.00 0.43 H new ATOM 0 HB2 GLU B 13 151.956 -9.944 10.157 1.00 0.46 H new ATOM 0 HB3 GLU B 13 153.272 -10.912 9.523 1.00 0.46 H new ATOM 0 HG2 GLU B 13 154.398 -8.955 8.609 1.00 0.48 H new ATOM 0 HG3 GLU B 13 152.993 -7.940 8.871 1.00 0.48 H new ATOM 1618 N PRO B 14 149.650 -9.315 8.381 1.00 0.42 N ATOM 1619 CA PRO B 14 148.563 -8.300 8.335 1.00 0.40 C ATOM 1620 C PRO B 14 149.100 -6.881 8.551 1.00 0.36 C ATOM 1621 O PRO B 14 150.159 -6.691 9.116 1.00 0.36 O ATOM 1622 CB PRO B 14 147.650 -8.726 9.484 1.00 0.45 C ATOM 1623 CG PRO B 14 147.776 -10.220 9.536 1.00 0.49 C ATOM 1624 CD PRO B 14 149.191 -10.560 9.026 1.00 0.48 C ATOM 0 HA PRO B 14 148.058 -8.263 7.370 1.00 0.40 H new ATOM 0 HB2 PRO B 14 147.958 -8.270 10.425 1.00 0.45 H new ATOM 0 HB3 PRO B 14 146.619 -8.421 9.304 1.00 0.45 H new ATOM 0 HG2 PRO B 14 147.632 -10.586 10.553 1.00 0.49 H new ATOM 0 HG3 PRO B 14 147.016 -10.695 8.916 1.00 0.49 H new ATOM 0 HD2 PRO B 14 149.850 -10.852 9.844 1.00 0.48 H new ATOM 0 HD3 PRO B 14 149.172 -11.391 8.321 1.00 0.48 H new ATOM 1632 N MET B 15 148.390 -5.884 8.096 1.00 0.35 N ATOM 1633 CA MET B 15 148.874 -4.479 8.267 1.00 0.34 C ATOM 1634 C MET B 15 148.284 -3.869 9.542 1.00 0.35 C ATOM 1635 O MET B 15 148.887 -3.023 10.172 1.00 0.37 O ATOM 1636 CB MET B 15 148.460 -3.651 7.048 1.00 0.36 C ATOM 1637 CG MET B 15 146.941 -3.691 6.882 1.00 0.40 C ATOM 1638 SD MET B 15 146.506 -3.154 5.207 1.00 0.56 S ATOM 1639 CE MET B 15 146.637 -1.372 5.485 1.00 0.42 C ATOM 0 H MET B 15 147.496 -5.979 7.613 1.00 0.35 H new ATOM 0 HA MET B 15 149.961 -4.479 8.354 1.00 0.34 H new ATOM 0 HB2 MET B 15 148.794 -2.620 7.167 1.00 0.36 H new ATOM 0 HB3 MET B 15 148.943 -4.041 6.152 1.00 0.36 H new ATOM 0 HG2 MET B 15 146.571 -4.701 7.060 1.00 0.40 H new ATOM 0 HG3 MET B 15 146.466 -3.043 7.619 1.00 0.40 H new ATOM 0 HE1 MET B 15 146.457 -0.843 4.549 1.00 0.42 H new ATOM 0 HE2 MET B 15 145.897 -1.064 6.224 1.00 0.42 H new ATOM 0 HE3 MET B 15 147.636 -1.133 5.850 1.00 0.42 H new ATOM 1649 N GLY B 16 147.112 -4.295 9.931 1.00 0.36 N ATOM 1650 CA GLY B 16 146.490 -3.746 11.170 1.00 0.39 C ATOM 1651 C GLY B 16 146.422 -2.219 11.096 1.00 0.38 C ATOM 1652 O GLY B 16 146.031 -1.653 10.095 1.00 0.37 O ATOM 0 H GLY B 16 146.559 -5.000 9.444 1.00 0.36 H new ATOM 0 HA2 GLY B 16 145.488 -4.156 11.295 1.00 0.39 H new ATOM 0 HA3 GLY B 16 147.070 -4.050 12.042 1.00 0.39 H new ATOM 1656 N GLU B 17 146.781 -1.553 12.166 1.00 0.40 N ATOM 1657 CA GLU B 17 146.722 -0.057 12.205 1.00 0.41 C ATOM 1658 C GLU B 17 148.138 0.522 12.240 1.00 0.38 C ATOM 1659 O GLU B 17 148.389 1.526 12.878 1.00 0.39 O ATOM 1660 CB GLU B 17 145.967 0.378 13.462 1.00 0.46 C ATOM 1661 CG GLU B 17 144.495 -0.019 13.330 1.00 0.50 C ATOM 1662 CD GLU B 17 143.738 0.398 14.592 1.00 0.55 C ATOM 1663 OE1 GLU B 17 144.349 1.016 15.448 1.00 0.73 O ATOM 1664 OE2 GLU B 17 142.562 0.089 14.681 1.00 0.84 O ATOM 0 H GLU B 17 147.117 -1.988 13.026 1.00 0.40 H new ATOM 0 HA GLU B 17 146.210 0.308 11.315 1.00 0.41 H new ATOM 0 HB2 GLU B 17 146.404 -0.091 14.343 1.00 0.46 H new ATOM 0 HB3 GLU B 17 146.054 1.456 13.598 1.00 0.46 H new ATOM 0 HG2 GLU B 17 144.056 0.460 12.455 1.00 0.50 H new ATOM 0 HG3 GLU B 17 144.410 -1.095 13.181 1.00 0.50 H new ATOM 1671 N LYS B 18 149.068 -0.102 11.572 1.00 0.36 N ATOM 1672 CA LYS B 18 150.463 0.421 11.586 1.00 0.35 C ATOM 1673 C LYS B 18 150.451 1.852 11.029 1.00 0.31 C ATOM 1674 O LYS B 18 149.626 2.183 10.201 1.00 0.30 O ATOM 1675 CB LYS B 18 151.347 -0.466 10.704 1.00 0.35 C ATOM 1676 CG LYS B 18 151.539 -1.827 11.377 1.00 0.45 C ATOM 1677 CD LYS B 18 152.095 -2.826 10.359 1.00 1.16 C ATOM 1678 CE LYS B 18 152.244 -4.197 11.022 1.00 1.44 C ATOM 1679 NZ LYS B 18 152.802 -5.166 10.037 1.00 2.02 N ATOM 0 H LYS B 18 148.924 -0.947 11.020 1.00 0.36 H new ATOM 0 HA LYS B 18 150.857 0.419 12.602 1.00 0.35 H new ATOM 0 HB2 LYS B 18 150.888 -0.595 9.724 1.00 0.35 H new ATOM 0 HB3 LYS B 18 152.314 0.011 10.543 1.00 0.35 H new ATOM 0 HG2 LYS B 18 152.222 -1.734 12.221 1.00 0.45 H new ATOM 0 HG3 LYS B 18 150.589 -2.186 11.773 1.00 0.45 H new ATOM 0 HD2 LYS B 18 151.428 -2.896 9.500 1.00 1.16 H new ATOM 0 HD3 LYS B 18 153.060 -2.483 9.986 1.00 1.16 H new ATOM 0 HE2 LYS B 18 152.901 -4.124 11.889 1.00 1.44 H new ATOM 0 HE3 LYS B 18 151.276 -4.545 11.383 1.00 1.44 H new ATOM 0 HZ1 LYS B 18 153.482 -5.793 10.513 1.00 2.02 H new ATOM 0 HZ2 LYS B 18 152.030 -5.735 9.634 1.00 2.02 H new ATOM 0 HZ3 LYS B 18 153.284 -4.648 9.275 1.00 2.02 H new ATOM 1693 N PRO B 19 151.337 2.707 11.490 1.00 0.31 N ATOM 1694 CA PRO B 19 151.382 4.126 11.028 1.00 0.29 C ATOM 1695 C PRO B 19 151.631 4.232 9.520 1.00 0.25 C ATOM 1696 O PRO B 19 152.167 3.335 8.902 1.00 0.23 O ATOM 1697 CB PRO B 19 152.535 4.756 11.838 1.00 0.32 C ATOM 1698 CG PRO B 19 153.353 3.602 12.331 1.00 0.32 C ATOM 1699 CD PRO B 19 152.387 2.426 12.483 1.00 0.34 C ATOM 0 HA PRO B 19 150.433 4.637 11.190 1.00 0.29 H new ATOM 0 HB2 PRO B 19 153.132 5.424 11.217 1.00 0.32 H new ATOM 0 HB3 PRO B 19 152.153 5.350 12.668 1.00 0.32 H new ATOM 0 HG2 PRO B 19 154.150 3.362 11.628 1.00 0.32 H new ATOM 0 HG3 PRO B 19 153.828 3.840 13.283 1.00 0.32 H new ATOM 0 HD2 PRO B 19 152.880 1.474 12.286 1.00 0.34 H new ATOM 0 HD3 PRO B 19 151.979 2.370 13.492 1.00 0.34 H new ATOM 1707 N VAL B 20 151.231 5.321 8.930 1.00 0.24 N ATOM 1708 CA VAL B 20 151.426 5.494 7.465 1.00 0.22 C ATOM 1709 C VAL B 20 152.909 5.356 7.108 1.00 0.21 C ATOM 1710 O VAL B 20 153.277 4.665 6.179 1.00 0.22 O ATOM 1711 CB VAL B 20 150.918 6.877 7.046 1.00 0.26 C ATOM 1712 CG1 VAL B 20 151.646 7.967 7.841 1.00 0.32 C ATOM 1713 CG2 VAL B 20 151.174 7.077 5.552 1.00 0.28 C ATOM 0 H VAL B 20 150.775 6.103 9.401 1.00 0.24 H new ATOM 0 HA VAL B 20 150.866 4.723 6.936 1.00 0.22 H new ATOM 0 HB VAL B 20 149.849 6.944 7.249 1.00 0.26 H new ATOM 0 HG11 VAL B 20 151.278 8.947 7.536 1.00 0.32 H new ATOM 0 HG12 VAL B 20 151.461 7.825 8.906 1.00 0.32 H new ATOM 0 HG13 VAL B 20 152.717 7.905 7.647 1.00 0.32 H new ATOM 0 HG21 VAL B 20 150.814 8.060 5.250 1.00 0.28 H new ATOM 0 HG22 VAL B 20 152.243 7.005 5.353 1.00 0.28 H new ATOM 0 HG23 VAL B 20 150.648 6.308 4.987 1.00 0.28 H new ATOM 1723 N GLY B 21 153.757 6.035 7.834 1.00 0.22 N ATOM 1724 CA GLY B 21 155.218 5.984 7.548 1.00 0.21 C ATOM 1725 C GLY B 21 155.714 4.537 7.513 1.00 0.19 C ATOM 1726 O GLY B 21 156.865 4.284 7.218 1.00 0.19 O ATOM 0 H GLY B 21 153.495 6.629 8.621 1.00 0.22 H new ATOM 0 HA2 GLY B 21 155.423 6.467 6.593 1.00 0.21 H new ATOM 0 HA3 GLY B 21 155.762 6.541 8.310 1.00 0.21 H new ATOM 1730 N SER B 22 154.872 3.580 7.801 1.00 0.20 N ATOM 1731 CA SER B 22 155.330 2.160 7.766 1.00 0.20 C ATOM 1732 C SER B 22 155.272 1.641 6.328 1.00 0.19 C ATOM 1733 O SER B 22 155.933 0.683 5.980 1.00 0.20 O ATOM 1734 CB SER B 22 154.424 1.303 8.651 1.00 0.23 C ATOM 1735 OG SER B 22 154.553 1.722 10.001 1.00 1.24 O ATOM 0 H SER B 22 153.894 3.718 8.057 1.00 0.20 H new ATOM 0 HA SER B 22 156.354 2.103 8.135 1.00 0.20 H new ATOM 0 HB2 SER B 22 153.387 1.396 8.327 1.00 0.23 H new ATOM 0 HB3 SER B 22 154.695 0.251 8.557 1.00 0.23 H new ATOM 0 HG SER B 22 154.244 1.007 10.596 1.00 1.24 H new ATOM 1741 N LEU B 23 154.485 2.259 5.488 1.00 0.18 N ATOM 1742 CA LEU B 23 154.396 1.785 4.078 1.00 0.18 C ATOM 1743 C LEU B 23 155.757 1.942 3.403 1.00 0.18 C ATOM 1744 O LEU B 23 156.432 2.940 3.552 1.00 0.18 O ATOM 1745 CB LEU B 23 153.353 2.605 3.311 1.00 0.19 C ATOM 1746 CG LEU B 23 151.970 2.453 3.958 1.00 0.21 C ATOM 1747 CD1 LEU B 23 150.961 3.304 3.179 1.00 0.23 C ATOM 1748 CD2 LEU B 23 151.528 0.978 3.931 1.00 0.24 C ATOM 0 H LEU B 23 153.904 3.066 5.716 1.00 0.18 H new ATOM 0 HA LEU B 23 154.099 0.736 4.074 1.00 0.18 H new ATOM 0 HB2 LEU B 23 153.643 3.656 3.301 1.00 0.19 H new ATOM 0 HB3 LEU B 23 153.314 2.275 2.273 1.00 0.19 H new ATOM 0 HG LEU B 23 152.018 2.785 4.995 1.00 0.21 H new ATOM 0 HD11 LEU B 23 149.974 3.203 3.631 1.00 0.23 H new ATOM 0 HD12 LEU B 23 151.268 4.349 3.208 1.00 0.23 H new ATOM 0 HD13 LEU B 23 150.922 2.966 2.144 1.00 0.23 H new ATOM 0 HD21 LEU B 23 150.545 0.884 4.393 1.00 0.24 H new ATOM 0 HD22 LEU B 23 151.478 0.632 2.899 1.00 0.24 H new ATOM 0 HD23 LEU B 23 152.247 0.372 4.482 1.00 0.24 H new ATOM 1760 N ALA B 24 156.154 0.953 2.664 1.00 0.18 N ATOM 1761 CA ALA B 24 157.469 1.029 1.973 1.00 0.19 C ATOM 1762 C ALA B 24 157.448 2.158 0.940 1.00 0.19 C ATOM 1763 O ALA B 24 156.497 2.335 0.206 1.00 0.20 O ATOM 1764 CB ALA B 24 157.752 -0.299 1.275 1.00 0.21 C ATOM 0 H ALA B 24 155.627 0.094 2.506 1.00 0.18 H new ATOM 0 HA ALA B 24 158.251 1.230 2.706 1.00 0.19 H new ATOM 0 HB1 ALA B 24 158.715 -0.245 0.768 1.00 0.21 H new ATOM 0 HB2 ALA B 24 157.775 -1.101 2.013 1.00 0.21 H new ATOM 0 HB3 ALA B 24 156.968 -0.500 0.545 1.00 0.21 H new ATOM 1770 N GLY B 25 158.500 2.926 0.898 1.00 0.20 N ATOM 1771 CA GLY B 25 158.573 4.065 -0.067 1.00 0.21 C ATOM 1772 C GLY B 25 158.171 5.348 0.657 1.00 0.20 C ATOM 1773 O GLY B 25 158.497 6.440 0.236 1.00 0.22 O ATOM 0 H GLY B 25 159.320 2.815 1.494 1.00 0.20 H new ATOM 0 HA2 GLY B 25 159.583 4.157 -0.466 1.00 0.21 H new ATOM 0 HA3 GLY B 25 157.910 3.886 -0.914 1.00 0.21 H new ATOM 1777 N ILE B 26 157.477 5.222 1.759 1.00 0.20 N ATOM 1778 CA ILE B 26 157.062 6.428 2.536 1.00 0.21 C ATOM 1779 C ILE B 26 158.032 6.593 3.700 1.00 0.23 C ATOM 1780 O ILE B 26 158.090 5.762 4.584 1.00 0.25 O ATOM 1781 CB ILE B 26 155.649 6.231 3.086 1.00 0.22 C ATOM 1782 CG1 ILE B 26 154.695 5.835 1.949 1.00 0.22 C ATOM 1783 CG2 ILE B 26 155.169 7.534 3.730 1.00 0.24 C ATOM 1784 CD1 ILE B 26 154.798 6.833 0.790 1.00 0.24 C ATOM 0 H ILE B 26 157.179 4.331 2.156 1.00 0.20 H new ATOM 0 HA ILE B 26 157.072 7.309 1.894 1.00 0.21 H new ATOM 0 HB ILE B 26 155.661 5.437 3.833 1.00 0.22 H new ATOM 0 HG12 ILE B 26 154.937 4.832 1.596 1.00 0.22 H new ATOM 0 HG13 ILE B 26 153.671 5.804 2.320 1.00 0.22 H new ATOM 0 HG21 ILE B 26 154.162 7.396 4.123 1.00 0.24 H new ATOM 0 HG22 ILE B 26 155.841 7.807 4.543 1.00 0.24 H new ATOM 0 HG23 ILE B 26 155.162 8.328 2.983 1.00 0.24 H new ATOM 0 HD11 ILE B 26 154.115 6.537 -0.007 1.00 0.24 H new ATOM 0 HD12 ILE B 26 154.533 7.830 1.143 1.00 0.24 H new ATOM 0 HD13 ILE B 26 155.819 6.843 0.408 1.00 0.24 H new ATOM 1796 N GLY B 27 158.798 7.649 3.724 1.00 0.24 N ATOM 1797 CA GLY B 27 159.756 7.840 4.846 1.00 0.27 C ATOM 1798 C GLY B 27 159.086 8.626 5.971 1.00 0.28 C ATOM 1799 O GLY B 27 157.945 9.033 5.873 1.00 0.27 O ATOM 0 H GLY B 27 158.801 8.385 3.017 1.00 0.24 H new ATOM 0 HA2 GLY B 27 160.093 6.872 5.217 1.00 0.27 H new ATOM 0 HA3 GLY B 27 160.640 8.372 4.495 1.00 0.27 H new ATOM 1803 N GLU B 28 159.787 8.818 7.048 1.00 0.30 N ATOM 1804 CA GLU B 28 159.197 9.554 8.198 1.00 0.32 C ATOM 1805 C GLU B 28 158.725 10.940 7.747 1.00 0.32 C ATOM 1806 O GLU B 28 157.689 11.414 8.163 1.00 0.35 O ATOM 1807 CB GLU B 28 160.256 9.701 9.289 1.00 0.36 C ATOM 1808 CG GLU B 28 160.616 8.316 9.831 1.00 0.39 C ATOM 1809 CD GLU B 28 161.705 8.449 10.896 1.00 1.27 C ATOM 1810 OE1 GLU B 28 162.059 9.571 11.217 1.00 2.00 O ATOM 1811 OE2 GLU B 28 162.169 7.426 11.371 1.00 1.64 O ATOM 0 H GLU B 28 160.746 8.497 7.184 1.00 0.30 H new ATOM 0 HA GLU B 28 158.341 9.000 8.585 1.00 0.32 H new ATOM 0 HB2 GLU B 28 161.144 10.189 8.887 1.00 0.36 H new ATOM 0 HB3 GLU B 28 159.881 10.333 10.094 1.00 0.36 H new ATOM 0 HG2 GLU B 28 159.733 7.840 10.257 1.00 0.39 H new ATOM 0 HG3 GLU B 28 160.963 7.676 9.020 1.00 0.39 H new ATOM 1818 N VAL B 29 159.477 11.598 6.908 1.00 0.31 N ATOM 1819 CA VAL B 29 159.062 12.955 6.449 1.00 0.33 C ATOM 1820 C VAL B 29 157.797 12.850 5.596 1.00 0.33 C ATOM 1821 O VAL B 29 156.873 13.627 5.739 1.00 0.35 O ATOM 1822 CB VAL B 29 160.194 13.574 5.618 1.00 0.34 C ATOM 1823 CG1 VAL B 29 159.701 14.852 4.932 1.00 0.38 C ATOM 1824 CG2 VAL B 29 161.369 13.908 6.538 1.00 0.35 C ATOM 0 H VAL B 29 160.357 11.257 6.521 1.00 0.31 H new ATOM 0 HA VAL B 29 158.856 13.584 7.315 1.00 0.33 H new ATOM 0 HB VAL B 29 160.513 12.863 4.856 1.00 0.34 H new ATOM 0 HG11 VAL B 29 160.510 15.285 4.344 1.00 0.38 H new ATOM 0 HG12 VAL B 29 158.864 14.613 4.276 1.00 0.38 H new ATOM 0 HG13 VAL B 29 159.377 15.569 5.687 1.00 0.38 H new ATOM 0 HG21 VAL B 29 162.176 14.348 5.952 1.00 0.35 H new ATOM 0 HG22 VAL B 29 161.045 14.617 7.299 1.00 0.35 H new ATOM 0 HG23 VAL B 29 161.725 12.997 7.019 1.00 0.35 H new ATOM 1834 N LEU B 30 157.752 11.904 4.702 1.00 0.32 N ATOM 1835 CA LEU B 30 156.557 11.754 3.827 1.00 0.33 C ATOM 1836 C LEU B 30 155.355 11.333 4.673 1.00 0.32 C ATOM 1837 O LEU B 30 154.242 11.767 4.447 1.00 0.33 O ATOM 1838 CB LEU B 30 156.847 10.704 2.749 1.00 0.33 C ATOM 1839 CG LEU B 30 158.012 11.180 1.867 1.00 0.35 C ATOM 1840 CD1 LEU B 30 158.411 10.059 0.900 1.00 0.36 C ATOM 1841 CD2 LEU B 30 157.601 12.432 1.064 1.00 0.40 C ATOM 0 H LEU B 30 158.495 11.225 4.539 1.00 0.32 H new ATOM 0 HA LEU B 30 156.330 12.704 3.343 1.00 0.33 H new ATOM 0 HB2 LEU B 30 157.096 9.750 3.214 1.00 0.33 H new ATOM 0 HB3 LEU B 30 155.959 10.540 2.139 1.00 0.33 H new ATOM 0 HG LEU B 30 158.858 11.434 2.506 1.00 0.35 H new ATOM 0 HD11 LEU B 30 159.237 10.396 0.274 1.00 0.36 H new ATOM 0 HD12 LEU B 30 158.720 9.181 1.468 1.00 0.36 H new ATOM 0 HD13 LEU B 30 157.560 9.802 0.270 1.00 0.36 H new ATOM 0 HD21 LEU B 30 158.437 12.757 0.444 1.00 0.40 H new ATOM 0 HD22 LEU B 30 156.749 12.193 0.428 1.00 0.40 H new ATOM 0 HD23 LEU B 30 157.327 13.232 1.752 1.00 0.40 H new ATOM 1853 N GLY B 31 155.569 10.500 5.651 1.00 0.33 N ATOM 1854 CA GLY B 31 154.437 10.067 6.516 1.00 0.34 C ATOM 1855 C GLY B 31 153.821 11.294 7.195 1.00 0.35 C ATOM 1856 O GLY B 31 152.618 11.405 7.333 1.00 0.36 O ATOM 0 H GLY B 31 156.477 10.100 5.889 1.00 0.33 H new ATOM 0 HA2 GLY B 31 153.685 9.551 5.919 1.00 0.34 H new ATOM 0 HA3 GLY B 31 154.788 9.359 7.267 1.00 0.34 H new ATOM 1860 N LYS B 32 154.641 12.215 7.625 1.00 0.35 N ATOM 1861 CA LYS B 32 154.116 13.436 8.304 1.00 0.37 C ATOM 1862 C LYS B 32 153.282 14.272 7.328 1.00 0.37 C ATOM 1863 O LYS B 32 152.269 14.833 7.695 1.00 0.38 O ATOM 1864 CB LYS B 32 155.290 14.271 8.822 1.00 0.40 C ATOM 1865 CG LYS B 32 155.951 13.538 9.991 1.00 1.18 C ATOM 1866 CD LYS B 32 157.127 14.360 10.521 1.00 1.36 C ATOM 1867 CE LYS B 32 157.778 13.617 11.689 1.00 2.07 C ATOM 1868 NZ LYS B 32 158.386 12.349 11.192 1.00 2.75 N ATOM 0 H LYS B 32 155.656 12.174 7.535 1.00 0.35 H new ATOM 0 HA LYS B 32 153.481 13.134 9.137 1.00 0.37 H new ATOM 0 HB2 LYS B 32 156.014 14.436 8.024 1.00 0.40 H new ATOM 0 HB3 LYS B 32 154.940 15.252 9.143 1.00 0.40 H new ATOM 0 HG2 LYS B 32 155.224 13.372 10.786 1.00 1.18 H new ATOM 0 HG3 LYS B 32 156.298 12.557 9.667 1.00 1.18 H new ATOM 0 HD2 LYS B 32 157.857 14.525 9.728 1.00 1.36 H new ATOM 0 HD3 LYS B 32 156.782 15.341 10.846 1.00 1.36 H new ATOM 0 HE2 LYS B 32 158.541 14.242 12.152 1.00 2.07 H new ATOM 0 HE3 LYS B 32 157.035 13.401 12.456 1.00 2.07 H new ATOM 0 HZ1 LYS B 32 159.367 12.279 11.530 1.00 2.75 H new ATOM 0 HZ2 LYS B 32 157.839 11.539 11.547 1.00 2.75 H new ATOM 0 HZ3 LYS B 32 158.377 12.344 10.152 1.00 2.75 H new ATOM 1882 N LYS B 33 153.702 14.388 6.095 1.00 0.35 N ATOM 1883 CA LYS B 33 152.931 15.220 5.125 1.00 0.36 C ATOM 1884 C LYS B 33 151.556 14.592 4.874 1.00 0.34 C ATOM 1885 O LYS B 33 150.542 15.259 4.944 1.00 0.36 O ATOM 1886 CB LYS B 33 153.711 15.299 3.812 1.00 0.36 C ATOM 1887 CG LYS B 33 154.988 16.113 4.039 1.00 0.39 C ATOM 1888 CD LYS B 33 155.797 16.204 2.737 1.00 0.64 C ATOM 1889 CE LYS B 33 155.190 17.256 1.801 1.00 0.66 C ATOM 1890 NZ LYS B 33 156.159 17.561 0.710 1.00 1.56 N ATOM 0 H LYS B 33 154.541 13.945 5.720 1.00 0.35 H new ATOM 0 HA LYS B 33 152.790 16.221 5.532 1.00 0.36 H new ATOM 0 HB2 LYS B 33 153.960 14.298 3.461 1.00 0.36 H new ATOM 0 HB3 LYS B 33 153.100 15.765 3.039 1.00 0.36 H new ATOM 0 HG2 LYS B 33 154.733 17.114 4.388 1.00 0.39 H new ATOM 0 HG3 LYS B 33 155.591 15.648 4.819 1.00 0.39 H new ATOM 0 HD2 LYS B 33 156.832 16.462 2.962 1.00 0.64 H new ATOM 0 HD3 LYS B 33 155.811 15.233 2.242 1.00 0.64 H new ATOM 0 HE2 LYS B 33 154.254 16.888 1.380 1.00 0.66 H new ATOM 0 HE3 LYS B 33 154.954 18.163 2.358 1.00 0.66 H new ATOM 0 HZ1 LYS B 33 156.342 18.584 0.684 1.00 1.56 H new ATOM 0 HZ2 LYS B 33 157.050 17.054 0.885 1.00 1.56 H new ATOM 0 HZ3 LYS B 33 155.762 17.258 -0.202 1.00 1.56 H new ATOM 1904 N LEU B 34 151.503 13.318 4.605 1.00 0.32 N ATOM 1905 CA LEU B 34 150.183 12.663 4.379 1.00 0.31 C ATOM 1906 C LEU B 34 149.350 12.790 5.663 1.00 0.31 C ATOM 1907 O LEU B 34 148.147 12.955 5.632 1.00 0.32 O ATOM 1908 CB LEU B 34 150.395 11.184 4.022 1.00 0.28 C ATOM 1909 CG LEU B 34 151.139 11.059 2.682 1.00 0.29 C ATOM 1910 CD1 LEU B 34 151.554 9.598 2.476 1.00 0.29 C ATOM 1911 CD2 LEU B 34 150.230 11.495 1.515 1.00 0.33 C ATOM 0 H LEU B 34 152.313 12.703 4.532 1.00 0.32 H new ATOM 0 HA LEU B 34 149.658 13.144 3.554 1.00 0.31 H new ATOM 0 HB2 LEU B 34 150.965 10.691 4.809 1.00 0.28 H new ATOM 0 HB3 LEU B 34 149.432 10.676 3.960 1.00 0.28 H new ATOM 0 HG LEU B 34 152.017 11.704 2.704 1.00 0.29 H new ATOM 0 HD11 LEU B 34 152.082 9.500 1.528 1.00 0.29 H new ATOM 0 HD12 LEU B 34 152.209 9.288 3.290 1.00 0.29 H new ATOM 0 HD13 LEU B 34 150.666 8.966 2.463 1.00 0.29 H new ATOM 0 HD21 LEU B 34 150.774 11.400 0.575 1.00 0.33 H new ATOM 0 HD22 LEU B 34 149.344 10.861 1.488 1.00 0.33 H new ATOM 0 HD23 LEU B 34 149.929 12.533 1.656 1.00 0.33 H new ATOM 1923 N GLU B 35 150.003 12.706 6.791 1.00 0.31 N ATOM 1924 CA GLU B 35 149.276 12.816 8.094 1.00 0.34 C ATOM 1925 C GLU B 35 148.571 14.173 8.188 1.00 0.37 C ATOM 1926 O GLU B 35 147.439 14.265 8.620 1.00 0.39 O ATOM 1927 CB GLU B 35 150.275 12.667 9.246 1.00 0.35 C ATOM 1928 CG GLU B 35 149.551 12.776 10.591 1.00 0.92 C ATOM 1929 CD GLU B 35 150.556 12.577 11.727 1.00 1.02 C ATOM 1930 OE1 GLU B 35 151.691 12.241 11.434 1.00 1.68 O ATOM 1931 OE2 GLU B 35 150.172 12.759 12.870 1.00 1.35 O ATOM 0 H GLU B 35 151.010 12.566 6.869 1.00 0.31 H new ATOM 0 HA GLU B 35 148.527 12.026 8.158 1.00 0.34 H new ATOM 0 HB2 GLU B 35 150.783 11.705 9.175 1.00 0.35 H new ATOM 0 HB3 GLU B 35 151.042 13.438 9.174 1.00 0.35 H new ATOM 0 HG2 GLU B 35 149.072 13.751 10.681 1.00 0.92 H new ATOM 0 HG3 GLU B 35 148.762 12.027 10.653 1.00 0.92 H new ATOM 1938 N GLU B 36 149.225 15.227 7.785 1.00 0.39 N ATOM 1939 CA GLU B 36 148.582 16.570 7.851 1.00 0.44 C ATOM 1940 C GLU B 36 147.393 16.588 6.895 1.00 0.45 C ATOM 1941 O GLU B 36 146.513 17.420 6.987 1.00 0.49 O ATOM 1942 CB GLU B 36 149.582 17.650 7.426 1.00 0.46 C ATOM 1943 CG GLU B 36 150.667 17.800 8.493 1.00 1.11 C ATOM 1944 CD GLU B 36 151.659 18.881 8.057 1.00 1.38 C ATOM 1945 OE1 GLU B 36 151.571 19.312 6.918 1.00 1.99 O ATOM 1946 OE2 GLU B 36 152.485 19.263 8.868 1.00 1.85 O ATOM 0 H GLU B 36 150.175 15.217 7.414 1.00 0.39 H new ATOM 0 HA GLU B 36 148.254 16.768 8.871 1.00 0.44 H new ATOM 0 HB2 GLU B 36 150.033 17.385 6.470 1.00 0.46 H new ATOM 0 HB3 GLU B 36 149.067 18.600 7.282 1.00 0.46 H new ATOM 0 HG2 GLU B 36 150.218 18.067 9.450 1.00 1.11 H new ATOM 0 HG3 GLU B 36 151.185 16.852 8.637 1.00 1.11 H new ATOM 1953 N ARG B 37 147.378 15.680 5.963 1.00 0.42 N ATOM 1954 CA ARG B 37 146.262 15.642 4.976 1.00 0.45 C ATOM 1955 C ARG B 37 145.138 14.732 5.480 1.00 0.42 C ATOM 1956 O ARG B 37 144.169 14.497 4.786 1.00 0.43 O ATOM 1957 CB ARG B 37 146.783 15.121 3.639 1.00 0.45 C ATOM 1958 CG ARG B 37 147.746 16.146 3.036 1.00 0.52 C ATOM 1959 CD ARG B 37 148.131 15.710 1.621 1.00 0.86 C ATOM 1960 NE ARG B 37 149.405 16.386 1.208 1.00 1.42 N ATOM 1961 CZ ARG B 37 149.540 17.685 1.256 1.00 1.87 C ATOM 1962 NH1 ARG B 37 148.510 18.453 1.482 1.00 2.15 N ATOM 1963 NH2 ARG B 37 150.706 18.221 1.019 1.00 2.68 N ATOM 0 H ARG B 37 148.091 14.961 5.840 1.00 0.42 H new ATOM 0 HA ARG B 37 145.867 16.650 4.848 1.00 0.45 H new ATOM 0 HB2 ARG B 37 147.291 14.167 3.781 1.00 0.45 H new ATOM 0 HB3 ARG B 37 145.952 14.941 2.957 1.00 0.45 H new ATOM 0 HG2 ARG B 37 147.278 17.130 3.011 1.00 0.52 H new ATOM 0 HG3 ARG B 37 148.638 16.233 3.657 1.00 0.52 H new ATOM 0 HD2 ARG B 37 148.255 14.628 1.586 1.00 0.86 H new ATOM 0 HD3 ARG B 37 147.332 15.962 0.923 1.00 0.86 H new ATOM 0 HE ARG B 37 150.186 15.817 0.881 1.00 1.42 H new ATOM 0 HH11 ARG B 37 147.588 18.041 1.623 1.00 2.15 H new ATOM 0 HH12 ARG B 37 148.627 19.466 1.517 1.00 2.15 H new ATOM 0 HH21 ARG B 37 151.505 17.627 0.798 1.00 2.68 H new ATOM 0 HH22 ARG B 37 150.818 19.234 1.055 1.00 2.68 H new ATOM 1977 N GLY B 38 145.234 14.247 6.695 1.00 0.41 N ATOM 1978 CA GLY B 38 144.137 13.389 7.250 1.00 0.39 C ATOM 1979 C GLY B 38 144.467 11.899 7.132 1.00 0.37 C ATOM 1980 O GLY B 38 143.637 11.063 7.426 1.00 0.49 O ATOM 0 H GLY B 38 146.020 14.407 7.325 1.00 0.41 H new ATOM 0 HA2 GLY B 38 143.971 13.643 8.297 1.00 0.39 H new ATOM 0 HA3 GLY B 38 143.208 13.599 6.720 1.00 0.39 H new ATOM 1984 N PHE B 39 145.664 11.545 6.734 1.00 0.31 N ATOM 1985 CA PHE B 39 146.025 10.094 6.635 1.00 0.28 C ATOM 1986 C PHE B 39 146.911 9.736 7.830 1.00 0.28 C ATOM 1987 O PHE B 39 148.107 9.565 7.704 1.00 0.28 O ATOM 1988 CB PHE B 39 146.809 9.849 5.348 1.00 0.27 C ATOM 1989 CG PHE B 39 145.902 9.995 4.149 1.00 0.28 C ATOM 1990 CD1 PHE B 39 145.210 8.884 3.652 1.00 0.27 C ATOM 1991 CD2 PHE B 39 145.755 11.242 3.533 1.00 0.31 C ATOM 1992 CE1 PHE B 39 144.372 9.022 2.539 1.00 0.30 C ATOM 1993 CE2 PHE B 39 144.919 11.381 2.418 1.00 0.33 C ATOM 1994 CZ PHE B 39 144.227 10.271 1.922 1.00 0.32 C ATOM 0 H PHE B 39 146.406 12.195 6.474 1.00 0.31 H new ATOM 0 HA PHE B 39 145.121 9.485 6.631 1.00 0.28 H new ATOM 0 HB2 PHE B 39 147.635 10.556 5.277 1.00 0.27 H new ATOM 0 HB3 PHE B 39 147.245 8.850 5.364 1.00 0.27 H new ATOM 0 HD1 PHE B 39 145.323 7.921 4.127 1.00 0.27 H new ATOM 0 HD2 PHE B 39 146.287 12.099 3.918 1.00 0.31 H new ATOM 0 HE1 PHE B 39 143.837 8.165 2.156 1.00 0.30 H new ATOM 0 HE2 PHE B 39 144.809 12.344 1.942 1.00 0.33 H new ATOM 0 HZ PHE B 39 143.581 10.377 1.063 1.00 0.32 H new ATOM 2004 N ASP B 40 146.331 9.650 8.996 1.00 0.30 N ATOM 2005 CA ASP B 40 147.139 9.336 10.209 1.00 0.31 C ATOM 2006 C ASP B 40 147.393 7.831 10.313 1.00 0.29 C ATOM 2007 O ASP B 40 148.178 7.389 11.128 1.00 0.30 O ATOM 2008 CB ASP B 40 146.379 9.808 11.451 1.00 0.35 C ATOM 2009 CG ASP B 40 145.062 9.038 11.567 1.00 0.37 C ATOM 2010 OD1 ASP B 40 144.624 8.497 10.565 1.00 0.36 O ATOM 2011 OD2 ASP B 40 144.512 9.004 12.655 1.00 0.41 O ATOM 0 H ASP B 40 145.333 9.783 9.161 1.00 0.30 H new ATOM 0 HA ASP B 40 148.099 9.847 10.137 1.00 0.31 H new ATOM 0 HB2 ASP B 40 146.985 9.650 12.343 1.00 0.35 H new ATOM 0 HB3 ASP B 40 146.182 10.878 11.385 1.00 0.35 H new ATOM 2016 N LYS B 41 146.730 7.038 9.510 1.00 0.28 N ATOM 2017 CA LYS B 41 146.922 5.552 9.575 1.00 0.28 C ATOM 2018 C LYS B 41 147.198 5.007 8.170 1.00 0.23 C ATOM 2019 O LYS B 41 146.755 5.555 7.179 1.00 0.23 O ATOM 2020 CB LYS B 41 145.641 4.917 10.127 1.00 0.33 C ATOM 2021 CG LYS B 41 145.448 5.296 11.606 1.00 0.47 C ATOM 2022 CD LYS B 41 146.325 4.419 12.510 1.00 0.74 C ATOM 2023 CE LYS B 41 145.921 4.639 13.969 1.00 0.71 C ATOM 2024 NZ LYS B 41 144.584 4.025 14.208 1.00 1.56 N ATOM 0 H LYS B 41 146.061 7.355 8.808 1.00 0.28 H new ATOM 0 HA LYS B 41 147.766 5.314 10.222 1.00 0.28 H new ATOM 0 HB2 LYS B 41 144.782 5.251 9.545 1.00 0.33 H new ATOM 0 HB3 LYS B 41 145.693 3.833 10.027 1.00 0.33 H new ATOM 0 HG2 LYS B 41 145.701 6.346 11.753 1.00 0.47 H new ATOM 0 HG3 LYS B 41 144.400 5.179 11.883 1.00 0.47 H new ATOM 0 HD2 LYS B 41 146.208 3.369 12.242 1.00 0.74 H new ATOM 0 HD3 LYS B 41 147.377 4.669 12.370 1.00 0.74 H new ATOM 0 HE2 LYS B 41 146.662 4.195 14.634 1.00 0.71 H new ATOM 0 HE3 LYS B 41 145.889 5.705 14.193 1.00 0.71 H new ATOM 0 HZ1 LYS B 41 143.911 4.762 14.501 1.00 1.56 H new ATOM 0 HZ2 LYS B 41 144.247 3.576 13.333 1.00 1.56 H new ATOM 0 HZ3 LYS B 41 144.660 3.308 14.957 1.00 1.56 H new ATOM 2038 N ALA B 42 147.943 3.937 8.081 1.00 0.21 N ATOM 2039 CA ALA B 42 148.275 3.352 6.748 1.00 0.20 C ATOM 2040 C ALA B 42 147.013 2.834 6.053 1.00 0.18 C ATOM 2041 O ALA B 42 146.864 2.961 4.855 1.00 0.18 O ATOM 2042 CB ALA B 42 149.252 2.191 6.937 1.00 0.21 C ATOM 0 H ALA B 42 148.338 3.440 8.879 1.00 0.21 H new ATOM 0 HA ALA B 42 148.724 4.129 6.129 1.00 0.20 H new ATOM 0 HB1 ALA B 42 149.498 1.760 5.966 1.00 0.21 H new ATOM 0 HB2 ALA B 42 150.162 2.555 7.413 1.00 0.21 H new ATOM 0 HB3 ALA B 42 148.794 1.428 7.567 1.00 0.21 H new ATOM 2048 N TYR B 43 146.122 2.220 6.779 1.00 0.18 N ATOM 2049 CA TYR B 43 144.901 1.666 6.131 1.00 0.18 C ATOM 2050 C TYR B 43 144.095 2.784 5.459 1.00 0.17 C ATOM 2051 O TYR B 43 143.292 2.533 4.585 1.00 0.17 O ATOM 2052 CB TYR B 43 144.046 0.913 7.154 1.00 0.20 C ATOM 2053 CG TYR B 43 143.361 1.868 8.092 1.00 0.21 C ATOM 2054 CD1 TYR B 43 142.210 2.534 7.671 1.00 0.21 C ATOM 2055 CD2 TYR B 43 143.853 2.067 9.386 1.00 0.24 C ATOM 2056 CE1 TYR B 43 141.547 3.399 8.537 1.00 0.25 C ATOM 2057 CE2 TYR B 43 143.192 2.939 10.258 1.00 0.28 C ATOM 2058 CZ TYR B 43 142.035 3.607 9.832 1.00 0.27 C ATOM 2059 OH TYR B 43 141.378 4.464 10.690 1.00 0.32 O ATOM 0 H TYR B 43 146.185 2.078 7.787 1.00 0.18 H new ATOM 0 HA TYR B 43 145.207 0.959 5.360 1.00 0.18 H new ATOM 0 HB2 TYR B 43 143.301 0.309 6.636 1.00 0.20 H new ATOM 0 HB3 TYR B 43 144.673 0.227 7.723 1.00 0.20 H new ATOM 0 HD1 TYR B 43 141.832 2.378 6.671 1.00 0.21 H new ATOM 0 HD2 TYR B 43 144.742 1.548 9.712 1.00 0.24 H new ATOM 0 HE1 TYR B 43 140.654 3.911 8.209 1.00 0.25 H new ATOM 0 HE2 TYR B 43 143.572 3.097 11.257 1.00 0.28 H new ATOM 0 HH TYR B 43 141.849 4.492 11.549 1.00 0.32 H new ATOM 2069 N VAL B 44 144.322 4.017 5.826 1.00 0.18 N ATOM 2070 CA VAL B 44 143.580 5.136 5.167 1.00 0.18 C ATOM 2071 C VAL B 44 144.263 5.410 3.820 1.00 0.17 C ATOM 2072 O VAL B 44 143.645 5.772 2.833 1.00 0.17 O ATOM 2073 CB VAL B 44 143.636 6.389 6.059 1.00 0.20 C ATOM 2074 CG1 VAL B 44 142.828 7.535 5.426 1.00 0.21 C ATOM 2075 CG2 VAL B 44 143.053 6.062 7.443 1.00 0.24 C ATOM 0 H VAL B 44 144.984 4.299 6.549 1.00 0.18 H new ATOM 0 HA VAL B 44 142.533 4.874 5.014 1.00 0.18 H new ATOM 0 HB VAL B 44 144.676 6.701 6.159 1.00 0.20 H new ATOM 0 HG11 VAL B 44 142.878 8.414 6.069 1.00 0.21 H new ATOM 0 HG12 VAL B 44 143.244 7.777 4.448 1.00 0.21 H new ATOM 0 HG13 VAL B 44 141.789 7.227 5.312 1.00 0.21 H new ATOM 0 HG21 VAL B 44 143.093 6.950 8.074 1.00 0.24 H new ATOM 0 HG22 VAL B 44 142.017 5.740 7.335 1.00 0.24 H new ATOM 0 HG23 VAL B 44 143.635 5.263 7.903 1.00 0.24 H new ATOM 2085 N VAL B 45 145.552 5.210 3.797 1.00 0.17 N ATOM 2086 CA VAL B 45 146.334 5.428 2.549 1.00 0.17 C ATOM 2087 C VAL B 45 146.091 4.239 1.623 1.00 0.15 C ATOM 2088 O VAL B 45 145.964 4.387 0.423 1.00 0.15 O ATOM 2089 CB VAL B 45 147.824 5.531 2.886 1.00 0.18 C ATOM 2090 CG1 VAL B 45 148.643 5.553 1.593 1.00 0.22 C ATOM 2091 CG2 VAL B 45 148.082 6.817 3.683 1.00 0.20 C ATOM 0 H VAL B 45 146.102 4.902 4.599 1.00 0.17 H new ATOM 0 HA VAL B 45 146.023 6.352 2.062 1.00 0.17 H new ATOM 0 HB VAL B 45 148.120 4.670 3.485 1.00 0.18 H new ATOM 0 HG11 VAL B 45 149.703 5.626 1.835 1.00 0.22 H new ATOM 0 HG12 VAL B 45 148.462 4.636 1.032 1.00 0.22 H new ATOM 0 HG13 VAL B 45 148.348 6.412 0.990 1.00 0.22 H new ATOM 0 HG21 VAL B 45 149.143 6.890 3.923 1.00 0.20 H new ATOM 0 HG22 VAL B 45 147.784 7.680 3.087 1.00 0.20 H new ATOM 0 HG23 VAL B 45 147.502 6.796 4.606 1.00 0.20 H new ATOM 2101 N LEU B 46 145.986 3.065 2.177 1.00 0.17 N ATOM 2102 CA LEU B 46 145.706 1.872 1.337 1.00 0.17 C ATOM 2103 C LEU B 46 144.370 2.104 0.636 1.00 0.17 C ATOM 2104 O LEU B 46 144.168 1.719 -0.494 1.00 0.17 O ATOM 2105 CB LEU B 46 145.628 0.633 2.239 1.00 0.22 C ATOM 2106 CG LEU B 46 145.113 -0.578 1.451 1.00 0.25 C ATOM 2107 CD1 LEU B 46 145.953 -0.784 0.185 1.00 0.40 C ATOM 2108 CD2 LEU B 46 145.208 -1.829 2.334 1.00 0.35 C ATOM 0 H LEU B 46 146.082 2.881 3.176 1.00 0.17 H new ATOM 0 HA LEU B 46 146.492 1.715 0.598 1.00 0.17 H new ATOM 0 HB2 LEU B 46 146.613 0.414 2.650 1.00 0.22 H new ATOM 0 HB3 LEU B 46 144.967 0.832 3.083 1.00 0.22 H new ATOM 0 HG LEU B 46 144.077 -0.402 1.162 1.00 0.25 H new ATOM 0 HD11 LEU B 46 145.577 -1.647 -0.365 1.00 0.40 H new ATOM 0 HD12 LEU B 46 145.887 0.104 -0.444 1.00 0.40 H new ATOM 0 HD13 LEU B 46 146.993 -0.956 0.462 1.00 0.40 H new ATOM 0 HD21 LEU B 46 144.843 -2.694 1.780 1.00 0.35 H new ATOM 0 HD22 LEU B 46 146.246 -1.994 2.621 1.00 0.35 H new ATOM 0 HD23 LEU B 46 144.602 -1.690 3.229 1.00 0.35 H new ATOM 2120 N GLY B 47 143.460 2.749 1.311 1.00 0.17 N ATOM 2121 CA GLY B 47 142.129 3.028 0.708 1.00 0.18 C ATOM 2122 C GLY B 47 142.293 3.871 -0.561 1.00 0.17 C ATOM 2123 O GLY B 47 141.624 3.649 -1.549 1.00 0.18 O ATOM 0 H GLY B 47 143.583 3.097 2.262 1.00 0.17 H new ATOM 0 HA2 GLY B 47 141.626 2.091 0.469 1.00 0.18 H new ATOM 0 HA3 GLY B 47 141.499 3.555 1.425 1.00 0.18 H new ATOM 2127 N GLN B 48 143.174 4.838 -0.547 1.00 0.17 N ATOM 2128 CA GLN B 48 143.363 5.691 -1.764 1.00 0.18 C ATOM 2129 C GLN B 48 143.796 4.814 -2.951 1.00 0.17 C ATOM 2130 O GLN B 48 143.325 4.980 -4.058 1.00 0.18 O ATOM 2131 CB GLN B 48 144.442 6.740 -1.476 1.00 0.18 C ATOM 2132 CG GLN B 48 144.560 7.715 -2.652 1.00 0.22 C ATOM 2133 CD GLN B 48 143.308 8.593 -2.717 1.00 0.28 C ATOM 2134 OE1 GLN B 48 142.777 8.835 -3.783 1.00 0.97 O ATOM 2135 NE2 GLN B 48 142.815 9.087 -1.615 1.00 1.09 N ATOM 0 H GLN B 48 143.768 5.075 0.248 1.00 0.17 H new ATOM 0 HA GLN B 48 142.425 6.187 -2.013 1.00 0.18 H new ATOM 0 HB2 GLN B 48 144.195 7.286 -0.565 1.00 0.18 H new ATOM 0 HB3 GLN B 48 145.400 6.249 -1.304 1.00 0.18 H new ATOM 0 HG2 GLN B 48 145.447 8.337 -2.534 1.00 0.22 H new ATOM 0 HG3 GLN B 48 144.679 7.163 -3.585 1.00 0.22 H new ATOM 0 HE21 GLN B 48 143.261 8.884 -0.721 1.00 1.09 H new ATOM 0 HE22 GLN B 48 141.983 9.677 -1.648 1.00 1.09 H new ATOM 2144 N PHE B 49 144.673 3.878 -2.723 1.00 0.17 N ATOM 2145 CA PHE B 49 145.129 2.978 -3.827 1.00 0.17 C ATOM 2146 C PHE B 49 143.917 2.225 -4.383 1.00 0.18 C ATOM 2147 O PHE B 49 143.782 2.026 -5.575 1.00 0.19 O ATOM 2148 CB PHE B 49 146.155 1.994 -3.251 1.00 0.18 C ATOM 2149 CG PHE B 49 146.661 1.048 -4.323 1.00 0.20 C ATOM 2150 CD1 PHE B 49 147.348 1.548 -5.436 1.00 0.24 C ATOM 2151 CD2 PHE B 49 146.458 -0.334 -4.189 1.00 0.27 C ATOM 2152 CE1 PHE B 49 147.831 0.666 -6.413 1.00 0.27 C ATOM 2153 CE2 PHE B 49 146.939 -1.212 -5.166 1.00 0.31 C ATOM 2154 CZ PHE B 49 147.625 -0.713 -6.277 1.00 0.27 C ATOM 0 H PHE B 49 145.098 3.694 -1.815 1.00 0.17 H new ATOM 0 HA PHE B 49 145.588 3.549 -4.634 1.00 0.17 H new ATOM 0 HB2 PHE B 49 146.992 2.545 -2.822 1.00 0.18 H new ATOM 0 HB3 PHE B 49 145.702 1.423 -2.441 1.00 0.18 H new ATOM 0 HD1 PHE B 49 147.506 2.611 -5.542 1.00 0.24 H new ATOM 0 HD2 PHE B 49 145.929 -0.720 -3.330 1.00 0.27 H new ATOM 0 HE1 PHE B 49 148.362 1.050 -7.271 1.00 0.27 H new ATOM 0 HE2 PHE B 49 146.780 -2.275 -5.062 1.00 0.31 H new ATOM 0 HZ PHE B 49 147.996 -1.391 -7.031 1.00 0.27 H new ATOM 2164 N LEU B 50 143.048 1.812 -3.521 1.00 0.18 N ATOM 2165 CA LEU B 50 141.841 1.069 -3.981 1.00 0.20 C ATOM 2166 C LEU B 50 140.931 2.034 -4.758 1.00 0.21 C ATOM 2167 O LEU B 50 140.324 1.673 -5.746 1.00 0.23 O ATOM 2168 CB LEU B 50 141.097 0.522 -2.761 1.00 0.22 C ATOM 2169 CG LEU B 50 142.023 -0.399 -1.952 1.00 0.23 C ATOM 2170 CD1 LEU B 50 141.271 -0.912 -0.720 1.00 0.27 C ATOM 2171 CD2 LEU B 50 142.485 -1.590 -2.809 1.00 0.27 C ATOM 0 H LEU B 50 143.114 1.953 -2.513 1.00 0.18 H new ATOM 0 HA LEU B 50 142.130 0.241 -4.628 1.00 0.20 H new ATOM 0 HB2 LEU B 50 140.752 1.345 -2.136 1.00 0.22 H new ATOM 0 HB3 LEU B 50 140.212 -0.028 -3.081 1.00 0.22 H new ATOM 0 HG LEU B 50 142.902 0.166 -1.642 1.00 0.23 H new ATOM 0 HD11 LEU B 50 141.923 -1.566 -0.142 1.00 0.27 H new ATOM 0 HD12 LEU B 50 140.965 -0.067 -0.103 1.00 0.27 H new ATOM 0 HD13 LEU B 50 140.389 -1.468 -1.038 1.00 0.27 H new ATOM 0 HD21 LEU B 50 143.140 -2.231 -2.219 1.00 0.27 H new ATOM 0 HD22 LEU B 50 141.616 -2.162 -3.136 1.00 0.27 H new ATOM 0 HD23 LEU B 50 143.027 -1.223 -3.681 1.00 0.27 H new ATOM 2183 N VAL B 51 140.827 3.252 -4.304 1.00 0.21 N ATOM 2184 CA VAL B 51 139.951 4.254 -4.988 1.00 0.23 C ATOM 2185 C VAL B 51 140.452 4.527 -6.416 1.00 0.23 C ATOM 2186 O VAL B 51 139.702 4.950 -7.273 1.00 0.25 O ATOM 2187 CB VAL B 51 139.962 5.560 -4.183 1.00 0.25 C ATOM 2188 CG1 VAL B 51 139.240 6.663 -4.963 1.00 0.28 C ATOM 2189 CG2 VAL B 51 139.248 5.340 -2.847 1.00 0.27 C ATOM 0 H VAL B 51 141.315 3.603 -3.480 1.00 0.21 H new ATOM 0 HA VAL B 51 138.937 3.858 -5.047 1.00 0.23 H new ATOM 0 HB VAL B 51 140.995 5.860 -4.007 1.00 0.25 H new ATOM 0 HG11 VAL B 51 139.253 7.586 -4.384 1.00 0.28 H new ATOM 0 HG12 VAL B 51 139.745 6.825 -5.915 1.00 0.28 H new ATOM 0 HG13 VAL B 51 138.208 6.364 -5.146 1.00 0.28 H new ATOM 0 HG21 VAL B 51 139.255 6.267 -2.274 1.00 0.27 H new ATOM 0 HG22 VAL B 51 138.218 5.035 -3.031 1.00 0.27 H new ATOM 0 HG23 VAL B 51 139.762 4.561 -2.284 1.00 0.27 H new ATOM 2199 N LEU B 52 141.713 4.307 -6.672 1.00 0.22 N ATOM 2200 CA LEU B 52 142.265 4.577 -8.042 1.00 0.23 C ATOM 2201 C LEU B 52 142.220 3.306 -8.897 1.00 0.23 C ATOM 2202 O LEU B 52 142.897 3.208 -9.900 1.00 0.24 O ATOM 2203 CB LEU B 52 143.710 5.058 -7.916 1.00 0.24 C ATOM 2204 CG LEU B 52 143.766 6.346 -7.084 1.00 0.25 C ATOM 2205 CD1 LEU B 52 145.226 6.769 -6.923 1.00 0.30 C ATOM 2206 CD2 LEU B 52 142.980 7.471 -7.786 1.00 0.27 C ATOM 0 H LEU B 52 142.389 3.952 -5.996 1.00 0.22 H new ATOM 0 HA LEU B 52 141.659 5.344 -8.525 1.00 0.23 H new ATOM 0 HB2 LEU B 52 144.319 4.286 -7.446 1.00 0.24 H new ATOM 0 HB3 LEU B 52 144.130 5.237 -8.906 1.00 0.24 H new ATOM 0 HG LEU B 52 143.318 6.163 -6.107 1.00 0.25 H new ATOM 0 HD11 LEU B 52 145.277 7.684 -6.333 1.00 0.30 H new ATOM 0 HD12 LEU B 52 145.780 5.979 -6.416 1.00 0.30 H new ATOM 0 HD13 LEU B 52 145.664 6.946 -7.905 1.00 0.30 H new ATOM 0 HD21 LEU B 52 143.028 8.379 -7.184 1.00 0.27 H new ATOM 0 HD22 LEU B 52 143.416 7.662 -8.767 1.00 0.27 H new ATOM 0 HD23 LEU B 52 141.939 7.169 -7.904 1.00 0.27 H new ATOM 2218 N LYS B 53 141.437 2.333 -8.526 1.00 0.23 N ATOM 2219 CA LYS B 53 141.364 1.085 -9.339 1.00 0.24 C ATOM 2220 C LYS B 53 142.774 0.554 -9.618 1.00 0.24 C ATOM 2221 O LYS B 53 143.033 -0.019 -10.656 1.00 0.30 O ATOM 2222 CB LYS B 53 140.645 1.372 -10.659 1.00 0.29 C ATOM 2223 CG LYS B 53 139.159 1.632 -10.378 1.00 0.39 C ATOM 2224 CD LYS B 53 138.380 1.744 -11.696 1.00 0.48 C ATOM 2225 CE LYS B 53 138.599 3.123 -12.324 1.00 0.92 C ATOM 2226 NZ LYS B 53 137.703 3.276 -13.505 1.00 1.71 N ATOM 0 H LYS B 53 140.844 2.346 -7.696 1.00 0.23 H new ATOM 0 HA LYS B 53 140.808 0.330 -8.783 1.00 0.24 H new ATOM 0 HB2 LYS B 53 141.091 2.237 -11.149 1.00 0.29 H new ATOM 0 HB3 LYS B 53 140.757 0.527 -11.339 1.00 0.29 H new ATOM 0 HG2 LYS B 53 138.749 0.823 -9.773 1.00 0.39 H new ATOM 0 HG3 LYS B 53 139.046 2.550 -9.802 1.00 0.39 H new ATOM 0 HD2 LYS B 53 138.706 0.966 -12.387 1.00 0.48 H new ATOM 0 HD3 LYS B 53 137.317 1.584 -11.514 1.00 0.48 H new ATOM 0 HE2 LYS B 53 138.392 3.905 -11.593 1.00 0.92 H new ATOM 0 HE3 LYS B 53 139.640 3.236 -12.626 1.00 0.92 H new ATOM 0 HZ1 LYS B 53 137.850 4.212 -13.933 1.00 1.71 H new ATOM 0 HZ2 LYS B 53 137.921 2.537 -14.204 1.00 1.71 H new ATOM 0 HZ3 LYS B 53 136.712 3.185 -13.203 1.00 1.71 H new ATOM 2240 N LYS B 54 143.680 0.739 -8.686 1.00 0.23 N ATOM 2241 CA LYS B 54 145.085 0.248 -8.841 1.00 0.26 C ATOM 2242 C LYS B 54 145.740 0.889 -10.066 1.00 0.28 C ATOM 2243 O LYS B 54 146.733 0.398 -10.564 1.00 0.34 O ATOM 2244 CB LYS B 54 145.094 -1.279 -8.998 1.00 0.36 C ATOM 2245 CG LYS B 54 144.470 -1.929 -7.762 1.00 0.67 C ATOM 2246 CD LYS B 54 144.484 -3.451 -7.926 1.00 0.83 C ATOM 2247 CE LYS B 54 143.861 -4.107 -6.691 1.00 1.41 C ATOM 2248 NZ LYS B 54 144.773 -3.947 -5.524 1.00 2.25 N ATOM 0 H LYS B 54 143.499 1.221 -7.805 1.00 0.23 H new ATOM 0 HA LYS B 54 145.648 0.524 -7.950 1.00 0.26 H new ATOM 0 HB2 LYS B 54 144.538 -1.566 -9.891 1.00 0.36 H new ATOM 0 HB3 LYS B 54 146.116 -1.634 -9.131 1.00 0.36 H new ATOM 0 HG2 LYS B 54 145.025 -1.643 -6.868 1.00 0.67 H new ATOM 0 HG3 LYS B 54 143.447 -1.576 -7.629 1.00 0.67 H new ATOM 0 HD2 LYS B 54 143.929 -3.736 -8.820 1.00 0.83 H new ATOM 0 HD3 LYS B 54 145.507 -3.803 -8.060 1.00 0.83 H new ATOM 0 HE2 LYS B 54 142.894 -3.652 -6.474 1.00 1.41 H new ATOM 0 HE3 LYS B 54 143.680 -5.165 -6.881 1.00 1.41 H new ATOM 0 HZ1 LYS B 54 144.453 -4.559 -4.747 1.00 2.25 H new ATOM 0 HZ2 LYS B 54 145.739 -4.215 -5.799 1.00 2.25 H new ATOM 0 HZ3 LYS B 54 144.765 -2.956 -5.210 1.00 2.25 H new ATOM 2262 N ASP B 55 145.229 1.988 -10.546 1.00 0.30 N ATOM 2263 CA ASP B 55 145.883 2.635 -11.718 1.00 0.39 C ATOM 2264 C ASP B 55 147.242 3.181 -11.253 1.00 0.38 C ATOM 2265 O ASP B 55 147.317 4.061 -10.419 1.00 0.37 O ATOM 2266 CB ASP B 55 144.994 3.767 -12.233 1.00 0.47 C ATOM 2267 CG ASP B 55 145.724 4.550 -13.328 1.00 1.18 C ATOM 2268 OD1 ASP B 55 146.826 5.005 -13.073 1.00 1.80 O ATOM 2269 OD2 ASP B 55 145.166 4.681 -14.405 1.00 1.54 O ATOM 0 H ASP B 55 144.400 2.460 -10.185 1.00 0.30 H new ATOM 0 HA ASP B 55 146.030 1.922 -12.529 1.00 0.39 H new ATOM 0 HB2 ASP B 55 144.063 3.359 -12.626 1.00 0.47 H new ATOM 0 HB3 ASP B 55 144.729 4.434 -11.413 1.00 0.47 H new ATOM 2274 N GLU B 56 148.311 2.623 -11.754 1.00 0.39 N ATOM 2275 CA GLU B 56 149.680 3.048 -11.321 1.00 0.38 C ATOM 2276 C GLU B 56 149.983 4.523 -11.638 1.00 0.38 C ATOM 2277 O GLU B 56 150.598 5.209 -10.852 1.00 0.38 O ATOM 2278 CB GLU B 56 150.712 2.166 -12.027 1.00 0.40 C ATOM 2279 CG GLU B 56 152.115 2.505 -11.516 1.00 0.41 C ATOM 2280 CD GLU B 56 153.124 1.519 -12.108 1.00 0.63 C ATOM 2281 OE1 GLU B 56 152.706 0.648 -12.853 1.00 0.88 O ATOM 2282 OE2 GLU B 56 154.299 1.650 -11.804 1.00 0.85 O ATOM 0 H GLU B 56 148.297 1.881 -12.454 1.00 0.39 H new ATOM 0 HA GLU B 56 149.729 2.937 -10.238 1.00 0.38 H new ATOM 0 HB2 GLU B 56 150.492 1.114 -11.844 1.00 0.40 H new ATOM 0 HB3 GLU B 56 150.660 2.320 -13.105 1.00 0.40 H new ATOM 0 HG2 GLU B 56 152.379 3.525 -11.796 1.00 0.41 H new ATOM 0 HG3 GLU B 56 152.139 2.457 -10.427 1.00 0.41 H new ATOM 2289 N ASP B 57 149.578 5.017 -12.773 1.00 0.40 N ATOM 2290 CA ASP B 57 149.882 6.444 -13.116 1.00 0.42 C ATOM 2291 C ASP B 57 149.075 7.393 -12.232 1.00 0.41 C ATOM 2292 O ASP B 57 149.567 8.412 -11.787 1.00 0.41 O ATOM 2293 CB ASP B 57 149.540 6.698 -14.584 1.00 0.45 C ATOM 2294 CG ASP B 57 150.541 5.960 -15.476 1.00 0.47 C ATOM 2295 OD1 ASP B 57 151.689 5.850 -15.077 1.00 0.65 O ATOM 2296 OD2 ASP B 57 150.142 5.513 -16.538 1.00 0.74 O ATOM 0 H ASP B 57 149.052 4.502 -13.479 1.00 0.40 H new ATOM 0 HA ASP B 57 150.943 6.627 -12.946 1.00 0.42 H new ATOM 0 HB2 ASP B 57 148.527 6.357 -14.797 1.00 0.45 H new ATOM 0 HB3 ASP B 57 149.568 7.767 -14.795 1.00 0.45 H new ATOM 2301 N LEU B 58 147.852 7.072 -11.968 1.00 0.40 N ATOM 2302 CA LEU B 58 147.043 7.975 -11.106 1.00 0.40 C ATOM 2303 C LEU B 58 147.582 7.911 -9.677 1.00 0.38 C ATOM 2304 O LEU B 58 147.666 8.909 -8.990 1.00 0.38 O ATOM 2305 CB LEU B 58 145.572 7.557 -11.121 1.00 0.41 C ATOM 2306 CG LEU B 58 144.970 7.787 -12.516 1.00 0.47 C ATOM 2307 CD1 LEU B 58 143.555 7.198 -12.555 1.00 0.45 C ATOM 2308 CD2 LEU B 58 144.912 9.297 -12.835 1.00 0.55 C ATOM 0 H LEU B 58 147.375 6.235 -12.304 1.00 0.40 H new ATOM 0 HA LEU B 58 147.115 8.993 -11.488 1.00 0.40 H new ATOM 0 HB2 LEU B 58 145.482 6.506 -10.847 1.00 0.41 H new ATOM 0 HB3 LEU B 58 145.016 8.129 -10.378 1.00 0.41 H new ATOM 0 HG LEU B 58 145.597 7.298 -13.261 1.00 0.47 H new ATOM 0 HD11 LEU B 58 143.122 7.358 -13.542 1.00 0.45 H new ATOM 0 HD12 LEU B 58 143.600 6.129 -12.347 1.00 0.45 H new ATOM 0 HD13 LEU B 58 142.936 7.688 -11.803 1.00 0.45 H new ATOM 0 HD21 LEU B 58 144.483 9.443 -13.826 1.00 0.55 H new ATOM 0 HD22 LEU B 58 144.293 9.802 -12.094 1.00 0.55 H new ATOM 0 HD23 LEU B 58 145.919 9.713 -12.810 1.00 0.55 H new ATOM 2320 N PHE B 59 147.968 6.746 -9.231 1.00 0.37 N ATOM 2321 CA PHE B 59 148.524 6.629 -7.854 1.00 0.35 C ATOM 2322 C PHE B 59 149.827 7.425 -7.746 1.00 0.36 C ATOM 2323 O PHE B 59 150.011 8.210 -6.837 1.00 0.35 O ATOM 2324 CB PHE B 59 148.791 5.157 -7.534 1.00 0.35 C ATOM 2325 CG PHE B 59 149.430 5.045 -6.171 1.00 0.34 C ATOM 2326 CD1 PHE B 59 148.629 4.927 -5.029 1.00 0.35 C ATOM 2327 CD2 PHE B 59 150.824 5.050 -6.051 1.00 0.37 C ATOM 2328 CE1 PHE B 59 149.223 4.816 -3.766 1.00 0.37 C ATOM 2329 CE2 PHE B 59 151.419 4.939 -4.788 1.00 0.38 C ATOM 2330 CZ PHE B 59 150.618 4.822 -3.646 1.00 0.37 C ATOM 0 H PHE B 59 147.922 5.874 -9.759 1.00 0.37 H new ATOM 0 HA PHE B 59 147.803 7.031 -7.142 1.00 0.35 H new ATOM 0 HB2 PHE B 59 147.858 4.594 -7.557 1.00 0.35 H new ATOM 0 HB3 PHE B 59 149.444 4.722 -8.290 1.00 0.35 H new ATOM 0 HD1 PHE B 59 147.553 4.922 -5.122 1.00 0.35 H new ATOM 0 HD2 PHE B 59 151.441 5.139 -6.933 1.00 0.37 H new ATOM 0 HE1 PHE B 59 148.605 4.726 -2.885 1.00 0.37 H new ATOM 0 HE2 PHE B 59 152.495 4.944 -4.695 1.00 0.38 H new ATOM 0 HZ PHE B 59 151.076 4.736 -2.672 1.00 0.37 H new ATOM 2340 N ARG B 60 150.744 7.219 -8.660 1.00 0.38 N ATOM 2341 CA ARG B 60 152.036 7.957 -8.587 1.00 0.39 C ATOM 2342 C ARG B 60 151.783 9.459 -8.722 1.00 0.40 C ATOM 2343 O ARG B 60 152.340 10.255 -7.993 1.00 0.39 O ATOM 2344 CB ARG B 60 152.976 7.495 -9.715 1.00 0.43 C ATOM 2345 CG ARG B 60 153.414 6.027 -9.488 1.00 0.44 C ATOM 2346 CD ARG B 60 154.817 5.778 -10.072 1.00 0.51 C ATOM 2347 NE ARG B 60 155.052 6.635 -11.283 1.00 1.31 N ATOM 2348 CZ ARG B 60 154.222 6.644 -12.293 1.00 1.54 C ATOM 2349 NH1 ARG B 60 153.206 5.827 -12.327 1.00 1.15 N ATOM 2350 NH2 ARG B 60 154.438 7.450 -13.297 1.00 2.64 N ATOM 0 H ARG B 60 150.652 6.576 -9.446 1.00 0.38 H new ATOM 0 HA ARG B 60 152.503 7.750 -7.624 1.00 0.39 H new ATOM 0 HB2 ARG B 60 152.472 7.586 -10.677 1.00 0.43 H new ATOM 0 HB3 ARG B 60 153.853 8.141 -9.753 1.00 0.43 H new ATOM 0 HG2 ARG B 60 153.415 5.804 -8.421 1.00 0.44 H new ATOM 0 HG3 ARG B 60 152.696 5.352 -9.954 1.00 0.44 H new ATOM 0 HD2 ARG B 60 155.573 5.993 -9.317 1.00 0.51 H new ATOM 0 HD3 ARG B 60 154.923 4.727 -10.339 1.00 0.51 H new ATOM 0 HE ARG B 60 155.882 7.226 -11.318 1.00 1.31 H new ATOM 0 HH11 ARG B 60 153.052 5.172 -11.560 1.00 1.15 H new ATOM 0 HH12 ARG B 60 152.565 5.843 -13.120 1.00 1.15 H new ATOM 0 HH21 ARG B 60 155.250 8.067 -13.290 1.00 2.64 H new ATOM 0 HH22 ARG B 60 153.795 7.463 -14.088 1.00 2.64 H new ATOM 2364 N GLU B 61 150.941 9.856 -9.636 1.00 0.42 N ATOM 2365 CA GLU B 61 150.649 11.306 -9.798 1.00 0.44 C ATOM 2366 C GLU B 61 149.979 11.818 -8.522 1.00 0.42 C ATOM 2367 O GLU B 61 150.257 12.906 -8.056 1.00 0.43 O ATOM 2368 CB GLU B 61 149.716 11.504 -10.994 1.00 0.48 C ATOM 2369 CG GLU B 61 149.508 12.999 -11.244 1.00 1.30 C ATOM 2370 CD GLU B 61 148.736 13.193 -12.552 1.00 1.77 C ATOM 2371 OE1 GLU B 61 148.415 12.199 -13.181 1.00 2.38 O ATOM 2372 OE2 GLU B 61 148.479 14.333 -12.901 1.00 2.33 O ATOM 0 H GLU B 61 150.443 9.238 -10.277 1.00 0.42 H new ATOM 0 HA GLU B 61 151.572 11.859 -9.973 1.00 0.44 H new ATOM 0 HB2 GLU B 61 150.141 11.033 -11.881 1.00 0.48 H new ATOM 0 HB3 GLU B 61 148.758 11.020 -10.804 1.00 0.48 H new ATOM 0 HG2 GLU B 61 148.958 13.445 -10.415 1.00 1.30 H new ATOM 0 HG3 GLU B 61 150.471 13.507 -11.298 1.00 1.30 H new ATOM 2379 N TRP B 62 149.104 11.041 -7.949 1.00 0.40 N ATOM 2380 CA TRP B 62 148.422 11.482 -6.698 1.00 0.39 C ATOM 2381 C TRP B 62 149.431 11.605 -5.551 1.00 0.36 C ATOM 2382 O TRP B 62 149.439 12.573 -4.824 1.00 0.36 O ATOM 2383 CB TRP B 62 147.337 10.460 -6.314 1.00 0.38 C ATOM 2384 CG TRP B 62 146.859 10.723 -4.914 1.00 0.36 C ATOM 2385 CD1 TRP B 62 145.867 11.578 -4.572 1.00 0.39 C ATOM 2386 CD2 TRP B 62 147.356 10.152 -3.667 1.00 0.34 C ATOM 2387 NE1 TRP B 62 145.722 11.566 -3.194 1.00 0.37 N ATOM 2388 CE2 TRP B 62 146.617 10.702 -2.592 1.00 0.34 C ATOM 2389 CE3 TRP B 62 148.365 9.217 -3.367 1.00 0.32 C ATOM 2390 CZ2 TRP B 62 146.872 10.337 -1.266 1.00 0.34 C ATOM 2391 CZ3 TRP B 62 148.622 8.850 -2.035 1.00 0.31 C ATOM 2392 CH2 TRP B 62 147.877 9.408 -0.989 1.00 0.32 C ATOM 0 H TRP B 62 148.831 10.120 -8.291 1.00 0.40 H new ATOM 0 HA TRP B 62 147.967 12.457 -6.874 1.00 0.39 H new ATOM 0 HB2 TRP B 62 146.501 10.525 -7.011 1.00 0.38 H new ATOM 0 HB3 TRP B 62 147.736 9.448 -6.387 1.00 0.38 H new ATOM 0 HD1 TRP B 62 145.284 12.172 -5.260 1.00 0.39 H new ATOM 0 HE1 TRP B 62 145.038 12.127 -2.686 1.00 0.37 H new ATOM 0 HE3 TRP B 62 148.945 8.779 -4.166 1.00 0.32 H new ATOM 0 HZ2 TRP B 62 146.296 10.771 -0.462 1.00 0.34 H new ATOM 0 HZ3 TRP B 62 149.399 8.133 -1.817 1.00 0.31 H new ATOM 0 HH2 TRP B 62 148.080 9.120 0.032 1.00 0.32 H new ATOM 2403 N LEU B 63 150.277 10.632 -5.382 1.00 0.34 N ATOM 2404 CA LEU B 63 151.271 10.696 -4.276 1.00 0.32 C ATOM 2405 C LEU B 63 152.281 11.813 -4.542 1.00 0.33 C ATOM 2406 O LEU B 63 152.556 12.635 -3.690 1.00 0.32 O ATOM 2407 CB LEU B 63 151.995 9.346 -4.180 1.00 0.31 C ATOM 2408 CG LEU B 63 153.061 9.383 -3.077 1.00 0.30 C ATOM 2409 CD1 LEU B 63 152.413 9.707 -1.719 1.00 0.30 C ATOM 2410 CD2 LEU B 63 153.752 8.016 -3.007 1.00 0.32 C ATOM 0 H LEU B 63 150.325 9.794 -5.961 1.00 0.34 H new ATOM 0 HA LEU B 63 150.760 10.907 -3.336 1.00 0.32 H new ATOM 0 HB2 LEU B 63 151.275 8.555 -3.971 1.00 0.31 H new ATOM 0 HB3 LEU B 63 152.461 9.108 -5.136 1.00 0.31 H new ATOM 0 HG LEU B 63 153.792 10.158 -3.307 1.00 0.30 H new ATOM 0 HD11 LEU B 63 153.181 9.730 -0.946 1.00 0.30 H new ATOM 0 HD12 LEU B 63 151.923 10.679 -1.773 1.00 0.30 H new ATOM 0 HD13 LEU B 63 151.676 8.942 -1.476 1.00 0.30 H new ATOM 0 HD21 LEU B 63 154.512 8.032 -2.226 1.00 0.32 H new ATOM 0 HD22 LEU B 63 153.014 7.247 -2.780 1.00 0.32 H new ATOM 0 HD23 LEU B 63 154.222 7.796 -3.966 1.00 0.32 H new ATOM 2422 N LYS B 64 152.836 11.847 -5.717 1.00 0.35 N ATOM 2423 CA LYS B 64 153.831 12.903 -6.051 1.00 0.37 C ATOM 2424 C LYS B 64 153.183 14.284 -5.940 1.00 0.38 C ATOM 2425 O LYS B 64 153.717 15.189 -5.330 1.00 0.38 O ATOM 2426 CB LYS B 64 154.344 12.685 -7.475 1.00 0.41 C ATOM 2427 CG LYS B 64 155.386 13.754 -7.812 1.00 0.43 C ATOM 2428 CD LYS B 64 156.085 13.396 -9.129 1.00 0.68 C ATOM 2429 CE LYS B 64 155.107 13.539 -10.301 1.00 1.24 C ATOM 2430 NZ LYS B 64 155.870 13.553 -11.581 1.00 2.10 N ATOM 0 H LYS B 64 152.643 11.184 -6.468 1.00 0.35 H new ATOM 0 HA LYS B 64 154.665 12.847 -5.352 1.00 0.37 H new ATOM 0 HB2 LYS B 64 154.784 11.692 -7.566 1.00 0.41 H new ATOM 0 HB3 LYS B 64 153.516 12.733 -8.182 1.00 0.41 H new ATOM 0 HG2 LYS B 64 154.907 14.729 -7.897 1.00 0.43 H new ATOM 0 HG3 LYS B 64 156.119 13.828 -7.008 1.00 0.43 H new ATOM 0 HD2 LYS B 64 156.945 14.048 -9.282 1.00 0.68 H new ATOM 0 HD3 LYS B 64 156.463 12.375 -9.083 1.00 0.68 H new ATOM 0 HE2 LYS B 64 154.395 12.714 -10.298 1.00 1.24 H new ATOM 0 HE3 LYS B 64 154.530 14.458 -10.198 1.00 1.24 H new ATOM 0 HZ1 LYS B 64 155.209 13.650 -12.378 1.00 2.10 H new ATOM 0 HZ2 LYS B 64 156.533 14.354 -11.581 1.00 2.10 H new ATOM 0 HZ3 LYS B 64 156.401 12.664 -11.678 1.00 2.10 H new ATOM 2444 N ASP B 65 152.035 14.447 -6.533 1.00 0.41 N ATOM 2445 CA ASP B 65 151.338 15.763 -6.481 1.00 0.44 C ATOM 2446 C ASP B 65 150.845 16.033 -5.061 1.00 0.43 C ATOM 2447 O ASP B 65 150.702 17.167 -4.647 1.00 0.45 O ATOM 2448 CB ASP B 65 150.145 15.747 -7.439 1.00 0.48 C ATOM 2449 CG ASP B 65 149.608 17.169 -7.612 1.00 1.17 C ATOM 2450 OD1 ASP B 65 149.628 17.911 -6.643 1.00 1.90 O ATOM 2451 OD2 ASP B 65 149.192 17.495 -8.712 1.00 1.41 O ATOM 0 H ASP B 65 151.545 13.721 -7.055 1.00 0.41 H new ATOM 0 HA ASP B 65 152.034 16.549 -6.776 1.00 0.44 H new ATOM 0 HB2 ASP B 65 150.446 15.341 -8.405 1.00 0.48 H new ATOM 0 HB3 ASP B 65 149.362 15.096 -7.050 1.00 0.48 H new ATOM 2456 N THR B 66 150.552 14.999 -4.319 1.00 0.39 N ATOM 2457 CA THR B 66 150.031 15.193 -2.938 1.00 0.39 C ATOM 2458 C THR B 66 151.166 15.507 -1.963 1.00 0.38 C ATOM 2459 O THR B 66 150.963 16.242 -1.016 1.00 0.40 O ATOM 2460 CB THR B 66 149.301 13.923 -2.483 1.00 0.37 C ATOM 2461 OG1 THR B 66 148.140 13.738 -3.281 1.00 0.37 O ATOM 2462 CG2 THR B 66 148.884 14.064 -1.019 1.00 0.38 C ATOM 0 H THR B 66 150.652 14.027 -4.612 1.00 0.39 H new ATOM 0 HA THR B 66 149.340 16.036 -2.946 1.00 0.39 H new ATOM 0 HB THR B 66 149.967 13.067 -2.591 1.00 0.37 H new ATOM 0 HG1 THR B 66 148.353 13.152 -4.037 1.00 0.37 H new ATOM 0 HG21 THR B 66 148.366 13.160 -0.700 1.00 0.38 H new ATOM 0 HG22 THR B 66 149.770 14.212 -0.401 1.00 0.38 H new ATOM 0 HG23 THR B 66 148.219 14.921 -0.911 1.00 0.38 H new ATOM 2470 N CYS B 67 152.345 14.948 -2.137 1.00 0.36 N ATOM 2471 CA CYS B 67 153.453 15.215 -1.160 1.00 0.37 C ATOM 2472 C CYS B 67 154.755 15.591 -1.868 1.00 0.37 C ATOM 2473 O CYS B 67 155.569 16.316 -1.332 1.00 0.39 O ATOM 2474 CB CYS B 67 153.688 13.955 -0.328 1.00 0.36 C ATOM 2475 SG CYS B 67 154.375 12.654 -1.382 1.00 0.36 S ATOM 0 H CYS B 67 152.586 14.324 -2.907 1.00 0.36 H new ATOM 0 HA CYS B 67 153.157 16.053 -0.529 1.00 0.37 H new ATOM 0 HB2 CYS B 67 154.371 14.171 0.493 1.00 0.36 H new ATOM 0 HB3 CYS B 67 152.751 13.620 0.117 1.00 0.36 H new ATOM 0 HG CYS B 67 153.880 12.759 -2.579 1.00 0.36 H new ATOM 2481 N GLY B 68 154.966 15.098 -3.063 1.00 0.35 N ATOM 2482 CA GLY B 68 156.227 15.417 -3.809 1.00 0.36 C ATOM 2483 C GLY B 68 157.138 14.188 -3.812 1.00 0.34 C ATOM 2484 O GLY B 68 158.306 14.274 -4.136 1.00 0.33 O ATOM 0 H GLY B 68 154.318 14.486 -3.558 1.00 0.35 H new ATOM 0 HA2 GLY B 68 155.993 15.713 -4.832 1.00 0.36 H new ATOM 0 HA3 GLY B 68 156.736 16.260 -3.342 1.00 0.36 H new ATOM 2488 N ALA B 69 156.619 13.039 -3.466 1.00 0.32 N ATOM 2489 CA ALA B 69 157.470 11.814 -3.467 1.00 0.31 C ATOM 2490 C ALA B 69 158.190 11.707 -4.811 1.00 0.31 C ATOM 2491 O ALA B 69 157.724 12.214 -5.812 1.00 0.32 O ATOM 2492 CB ALA B 69 156.593 10.576 -3.258 1.00 0.31 C ATOM 0 H ALA B 69 155.649 12.897 -3.185 1.00 0.32 H new ATOM 0 HA ALA B 69 158.200 11.876 -2.660 1.00 0.31 H new ATOM 0 HB1 ALA B 69 157.218 9.683 -3.259 1.00 0.31 H new ATOM 0 HB2 ALA B 69 156.074 10.655 -2.303 1.00 0.31 H new ATOM 0 HB3 ALA B 69 155.862 10.508 -4.063 1.00 0.31 H new ATOM 2498 N ASN B 70 159.326 11.066 -4.847 1.00 0.29 N ATOM 2499 CA ASN B 70 160.076 10.947 -6.132 1.00 0.29 C ATOM 2500 C ASN B 70 159.648 9.674 -6.862 1.00 0.29 C ATOM 2501 O ASN B 70 158.921 8.854 -6.337 1.00 0.29 O ATOM 2502 CB ASN B 70 161.579 10.886 -5.845 1.00 0.29 C ATOM 2503 CG ASN B 70 162.021 12.179 -5.156 1.00 1.07 C ATOM 2504 OD1 ASN B 70 162.506 12.152 -4.042 1.00 1.91 O ATOM 2505 ND2 ASN B 70 161.879 13.318 -5.778 1.00 1.78 N ATOM 0 H ASN B 70 159.768 10.619 -4.043 1.00 0.29 H new ATOM 0 HA ASN B 70 159.858 11.814 -6.756 1.00 0.29 H new ATOM 0 HB2 ASN B 70 161.804 10.028 -5.211 1.00 0.29 H new ATOM 0 HB3 ASN B 70 162.132 10.749 -6.774 1.00 0.29 H new ATOM 0 HD21 ASN B 70 162.175 14.185 -5.329 1.00 1.78 H new ATOM 0 HD22 ASN B 70 161.472 13.341 -6.713 1.00 1.78 H new ATOM 2512 N ALA B 71 160.081 9.519 -8.081 1.00 0.31 N ATOM 2513 CA ALA B 71 159.697 8.317 -8.873 1.00 0.33 C ATOM 2514 C ALA B 71 160.166 7.035 -8.179 1.00 0.31 C ATOM 2515 O ALA B 71 159.519 6.015 -8.257 1.00 0.31 O ATOM 2516 CB ALA B 71 160.337 8.404 -10.260 1.00 0.38 C ATOM 0 H ALA B 71 160.689 10.178 -8.567 1.00 0.31 H new ATOM 0 HA ALA B 71 158.611 8.288 -8.960 1.00 0.33 H new ATOM 0 HB1 ALA B 71 160.060 7.527 -10.844 1.00 0.38 H new ATOM 0 HB2 ALA B 71 159.987 9.303 -10.767 1.00 0.38 H new ATOM 0 HB3 ALA B 71 161.422 8.444 -10.158 1.00 0.38 H new ATOM 2522 N LYS B 72 161.283 7.061 -7.510 1.00 0.29 N ATOM 2523 CA LYS B 72 161.754 5.812 -6.843 1.00 0.28 C ATOM 2524 C LYS B 72 160.877 5.505 -5.628 1.00 0.26 C ATOM 2525 O LYS B 72 160.545 4.366 -5.364 1.00 0.26 O ATOM 2526 CB LYS B 72 163.214 5.982 -6.410 1.00 0.28 C ATOM 2527 CG LYS B 72 163.729 4.679 -5.789 1.00 1.18 C ATOM 2528 CD LYS B 72 165.195 4.855 -5.384 1.00 1.28 C ATOM 2529 CE LYS B 72 165.710 3.565 -4.742 1.00 2.10 C ATOM 2530 NZ LYS B 72 167.153 3.721 -4.404 1.00 2.57 N ATOM 0 H LYS B 72 161.884 7.877 -7.395 1.00 0.29 H new ATOM 0 HA LYS B 72 161.683 4.980 -7.544 1.00 0.28 H new ATOM 0 HB2 LYS B 72 163.828 6.253 -7.269 1.00 0.28 H new ATOM 0 HB3 LYS B 72 163.296 6.796 -5.690 1.00 0.28 H new ATOM 0 HG2 LYS B 72 163.129 4.416 -4.918 1.00 1.18 H new ATOM 0 HG3 LYS B 72 163.633 3.860 -6.502 1.00 1.18 H new ATOM 0 HD2 LYS B 72 165.797 5.103 -6.258 1.00 1.28 H new ATOM 0 HD3 LYS B 72 165.292 5.685 -4.684 1.00 1.28 H new ATOM 0 HE2 LYS B 72 165.137 3.340 -3.843 1.00 2.10 H new ATOM 0 HE3 LYS B 72 165.574 2.727 -5.425 1.00 2.10 H new ATOM 0 HZ1 LYS B 72 167.504 2.845 -3.968 1.00 2.57 H new ATOM 0 HZ2 LYS B 72 167.693 3.917 -5.271 1.00 2.57 H new ATOM 0 HZ3 LYS B 72 167.270 4.511 -3.737 1.00 2.57 H new ATOM 2544 N GLN B 73 160.511 6.507 -4.873 1.00 0.25 N ATOM 2545 CA GLN B 73 159.673 6.265 -3.666 1.00 0.24 C ATOM 2546 C GLN B 73 158.273 5.824 -4.072 1.00 0.25 C ATOM 2547 O GLN B 73 157.683 4.958 -3.457 1.00 0.25 O ATOM 2548 CB GLN B 73 159.570 7.555 -2.852 1.00 0.26 C ATOM 2549 CG GLN B 73 160.921 7.869 -2.209 1.00 0.28 C ATOM 2550 CD GLN B 73 160.838 9.221 -1.497 1.00 1.25 C ATOM 2551 OE1 GLN B 73 160.156 10.118 -1.950 1.00 2.12 O ATOM 2552 NE2 GLN B 73 161.506 9.403 -0.391 1.00 1.89 N ATOM 0 H GLN B 73 160.757 7.482 -5.042 1.00 0.25 H new ATOM 0 HA GLN B 73 160.137 5.480 -3.069 1.00 0.24 H new ATOM 0 HB2 GLN B 73 159.263 8.379 -3.496 1.00 0.26 H new ATOM 0 HB3 GLN B 73 158.806 7.450 -2.082 1.00 0.26 H new ATOM 0 HG2 GLN B 73 161.190 7.087 -1.499 1.00 0.28 H new ATOM 0 HG3 GLN B 73 161.702 7.892 -2.969 1.00 0.28 H new ATOM 0 HE21 GLN B 73 162.079 8.649 -0.011 1.00 1.89 H new ATOM 0 HE22 GLN B 73 161.456 10.299 0.094 1.00 1.89 H new ATOM 2561 N SER B 74 157.728 6.417 -5.097 1.00 0.26 N ATOM 2562 CA SER B 74 156.365 6.039 -5.538 1.00 0.27 C ATOM 2563 C SER B 74 156.369 4.613 -6.088 1.00 0.26 C ATOM 2564 O SER B 74 155.453 3.849 -5.860 1.00 0.26 O ATOM 2565 CB SER B 74 155.904 7.016 -6.616 1.00 0.30 C ATOM 2566 OG SER B 74 155.880 8.330 -6.076 1.00 1.36 O ATOM 0 H SER B 74 158.174 7.150 -5.648 1.00 0.26 H new ATOM 0 HA SER B 74 155.681 6.081 -4.691 1.00 0.27 H new ATOM 0 HB2 SER B 74 156.576 6.974 -7.473 1.00 0.30 H new ATOM 0 HB3 SER B 74 154.913 6.739 -6.975 1.00 0.30 H new ATOM 0 HG SER B 74 156.789 8.696 -6.066 1.00 1.36 H new ATOM 2572 N ARG B 75 157.396 4.241 -6.811 1.00 0.27 N ATOM 2573 CA ARG B 75 157.456 2.862 -7.370 1.00 0.27 C ATOM 2574 C ARG B 75 157.426 1.850 -6.227 1.00 0.26 C ATOM 2575 O ARG B 75 156.823 0.802 -6.342 1.00 0.26 O ATOM 2576 CB ARG B 75 158.747 2.699 -8.184 1.00 0.29 C ATOM 2577 CG ARG B 75 158.672 3.532 -9.479 1.00 0.32 C ATOM 2578 CD ARG B 75 157.910 2.765 -10.566 1.00 0.61 C ATOM 2579 NE ARG B 75 157.974 3.528 -11.844 1.00 1.35 N ATOM 2580 CZ ARG B 75 157.646 2.951 -12.967 1.00 1.82 C ATOM 2581 NH1 ARG B 75 157.240 1.710 -12.969 1.00 1.89 N ATOM 2582 NH2 ARG B 75 157.717 3.615 -14.088 1.00 2.81 N ATOM 0 H ARG B 75 158.194 4.835 -7.036 1.00 0.27 H new ATOM 0 HA ARG B 75 156.599 2.690 -8.021 1.00 0.27 H new ATOM 0 HB2 ARG B 75 159.603 3.016 -7.588 1.00 0.29 H new ATOM 0 HB3 ARG B 75 158.901 1.648 -8.428 1.00 0.29 H new ATOM 0 HG2 ARG B 75 158.176 4.482 -9.280 1.00 0.32 H new ATOM 0 HG3 ARG B 75 159.678 3.765 -9.827 1.00 0.32 H new ATOM 0 HD2 ARG B 75 158.343 1.774 -10.699 1.00 0.61 H new ATOM 0 HD3 ARG B 75 156.872 2.622 -10.266 1.00 0.61 H new ATOM 0 HE ARG B 75 158.275 4.503 -11.841 1.00 1.35 H new ATOM 0 HH11 ARG B 75 157.179 1.192 -12.093 1.00 1.89 H new ATOM 0 HH12 ARG B 75 156.983 1.259 -13.847 1.00 1.89 H new ATOM 0 HH21 ARG B 75 158.029 4.586 -14.087 1.00 2.81 H new ATOM 0 HH22 ARG B 75 157.460 3.163 -14.966 1.00 2.81 H new ATOM 2596 N ASP B 76 158.082 2.126 -5.131 1.00 0.24 N ATOM 2597 CA ASP B 76 158.106 1.158 -4.001 1.00 0.24 C ATOM 2598 C ASP B 76 156.717 1.034 -3.378 1.00 0.22 C ATOM 2599 O ASP B 76 156.287 -0.044 -3.020 1.00 0.22 O ATOM 2600 CB ASP B 76 159.090 1.648 -2.938 1.00 0.23 C ATOM 2601 CG ASP B 76 160.522 1.521 -3.463 1.00 0.25 C ATOM 2602 OD1 ASP B 76 160.725 0.760 -4.395 1.00 0.40 O ATOM 2603 OD2 ASP B 76 161.390 2.189 -2.927 1.00 0.39 O ATOM 0 H ASP B 76 158.605 2.987 -4.971 1.00 0.24 H new ATOM 0 HA ASP B 76 158.415 0.183 -4.378 1.00 0.24 H new ATOM 0 HB2 ASP B 76 158.877 2.686 -2.682 1.00 0.23 H new ATOM 0 HB3 ASP B 76 158.974 1.064 -2.025 1.00 0.23 H new ATOM 2608 N CYS B 77 156.006 2.118 -3.242 1.00 0.22 N ATOM 2609 CA CYS B 77 154.650 2.035 -2.638 1.00 0.21 C ATOM 2610 C CYS B 77 153.714 1.256 -3.565 1.00 0.22 C ATOM 2611 O CYS B 77 152.897 0.480 -3.115 1.00 0.21 O ATOM 2612 CB CYS B 77 154.103 3.450 -2.438 1.00 0.22 C ATOM 2613 SG CYS B 77 155.027 4.276 -1.119 1.00 0.23 S ATOM 0 H CYS B 77 156.304 3.053 -3.522 1.00 0.22 H new ATOM 0 HA CYS B 77 154.712 1.522 -1.678 1.00 0.21 H new ATOM 0 HB2 CYS B 77 154.186 4.018 -3.365 1.00 0.22 H new ATOM 0 HB3 CYS B 77 153.044 3.409 -2.183 1.00 0.22 H new ATOM 0 HG CYS B 77 155.614 3.385 -0.377 1.00 0.23 H new ATOM 2619 N PHE B 78 153.803 1.456 -4.851 1.00 0.23 N ATOM 2620 CA PHE B 78 152.883 0.721 -5.763 1.00 0.25 C ATOM 2621 C PHE B 78 153.065 -0.787 -5.588 1.00 0.24 C ATOM 2622 O PHE B 78 152.142 -1.497 -5.243 1.00 0.23 O ATOM 2623 CB PHE B 78 153.183 1.118 -7.210 1.00 0.28 C ATOM 2624 CG PHE B 78 152.264 0.369 -8.146 1.00 0.32 C ATOM 2625 CD1 PHE B 78 151.025 0.917 -8.502 1.00 0.36 C ATOM 2626 CD2 PHE B 78 152.656 -0.870 -8.665 1.00 0.38 C ATOM 2627 CE1 PHE B 78 150.179 0.225 -9.377 1.00 0.40 C ATOM 2628 CE2 PHE B 78 151.810 -1.562 -9.539 1.00 0.43 C ATOM 2629 CZ PHE B 78 150.572 -1.014 -9.895 1.00 0.42 C ATOM 0 H PHE B 78 154.463 2.087 -5.305 1.00 0.23 H new ATOM 0 HA PHE B 78 151.852 0.979 -5.521 1.00 0.25 H new ATOM 0 HB2 PHE B 78 153.050 2.192 -7.337 1.00 0.28 H new ATOM 0 HB3 PHE B 78 154.223 0.895 -7.450 1.00 0.28 H new ATOM 0 HD1 PHE B 78 150.722 1.873 -8.102 1.00 0.36 H new ATOM 0 HD2 PHE B 78 153.612 -1.292 -8.391 1.00 0.38 H new ATOM 0 HE1 PHE B 78 149.224 0.647 -9.652 1.00 0.40 H new ATOM 0 HE2 PHE B 78 152.112 -2.519 -9.939 1.00 0.43 H new ATOM 0 HZ PHE B 78 149.920 -1.548 -10.570 1.00 0.42 H new ATOM 2639 N GLY B 79 154.246 -1.287 -5.829 1.00 0.25 N ATOM 2640 CA GLY B 79 154.485 -2.752 -5.684 1.00 0.25 C ATOM 2641 C GLY B 79 154.227 -3.198 -4.241 1.00 0.23 C ATOM 2642 O GLY B 79 153.773 -4.297 -3.993 1.00 0.24 O ATOM 0 H GLY B 79 155.058 -0.743 -6.121 1.00 0.25 H new ATOM 0 HA2 GLY B 79 153.833 -3.302 -6.363 1.00 0.25 H new ATOM 0 HA3 GLY B 79 155.511 -2.989 -5.966 1.00 0.25 H new ATOM 2646 N CYS B 80 154.511 -2.355 -3.289 1.00 0.22 N ATOM 2647 CA CYS B 80 154.280 -2.739 -1.867 1.00 0.21 C ATOM 2648 C CYS B 80 152.781 -2.831 -1.594 1.00 0.21 C ATOM 2649 O CYS B 80 152.296 -3.818 -1.074 1.00 0.22 O ATOM 2650 CB CYS B 80 154.901 -1.689 -0.948 1.00 0.22 C ATOM 2651 SG CYS B 80 154.661 -2.180 0.778 1.00 0.24 S ATOM 0 H CYS B 80 154.892 -1.420 -3.432 1.00 0.22 H new ATOM 0 HA CYS B 80 154.741 -3.708 -1.677 1.00 0.21 H new ATOM 0 HB2 CYS B 80 155.964 -1.585 -1.163 1.00 0.22 H new ATOM 0 HB3 CYS B 80 154.443 -0.716 -1.128 1.00 0.22 H new ATOM 0 HG CYS B 80 154.370 -1.132 1.491 1.00 0.24 H new ATOM 2657 N LEU B 81 152.033 -1.829 -1.958 1.00 0.21 N ATOM 2658 CA LEU B 81 150.567 -1.909 -1.729 1.00 0.21 C ATOM 2659 C LEU B 81 149.975 -2.953 -2.680 1.00 0.21 C ATOM 2660 O LEU B 81 149.099 -3.712 -2.316 1.00 0.22 O ATOM 2661 CB LEU B 81 149.922 -0.548 -2.006 1.00 0.22 C ATOM 2662 CG LEU B 81 150.500 0.518 -1.065 1.00 0.24 C ATOM 2663 CD1 LEU B 81 149.862 1.872 -1.393 1.00 0.29 C ATOM 2664 CD2 LEU B 81 150.214 0.144 0.404 1.00 0.28 C ATOM 0 H LEU B 81 152.367 -0.971 -2.397 1.00 0.21 H new ATOM 0 HA LEU B 81 150.373 -2.191 -0.694 1.00 0.21 H new ATOM 0 HB2 LEU B 81 150.096 -0.260 -3.043 1.00 0.22 H new ATOM 0 HB3 LEU B 81 148.843 -0.615 -1.871 1.00 0.22 H new ATOM 0 HG LEU B 81 151.580 0.577 -1.203 1.00 0.24 H new ATOM 0 HD11 LEU B 81 150.267 2.636 -0.729 1.00 0.29 H new ATOM 0 HD12 LEU B 81 150.082 2.137 -2.427 1.00 0.29 H new ATOM 0 HD13 LEU B 81 148.782 1.808 -1.257 1.00 0.29 H new ATOM 0 HD21 LEU B 81 150.629 0.908 1.061 1.00 0.28 H new ATOM 0 HD22 LEU B 81 149.137 0.077 0.559 1.00 0.28 H new ATOM 0 HD23 LEU B 81 150.673 -0.818 0.631 1.00 0.28 H new ATOM 2676 N ARG B 82 150.441 -2.991 -3.904 1.00 0.22 N ATOM 2677 CA ARG B 82 149.895 -3.982 -4.878 1.00 0.24 C ATOM 2678 C ARG B 82 150.188 -5.405 -4.402 1.00 0.25 C ATOM 2679 O ARG B 82 149.355 -6.284 -4.508 1.00 0.26 O ATOM 2680 CB ARG B 82 150.523 -3.771 -6.258 1.00 0.28 C ATOM 2681 CG ARG B 82 149.897 -4.756 -7.251 1.00 0.32 C ATOM 2682 CD ARG B 82 150.460 -4.518 -8.652 1.00 0.85 C ATOM 2683 NE ARG B 82 149.884 -5.527 -9.586 1.00 1.42 N ATOM 2684 CZ ARG B 82 149.966 -5.349 -10.876 1.00 1.96 C ATOM 2685 NH1 ARG B 82 150.527 -4.271 -11.351 1.00 2.26 N ATOM 2686 NH2 ARG B 82 149.481 -6.246 -11.690 1.00 2.74 N ATOM 0 H ARG B 82 151.173 -2.381 -4.268 1.00 0.22 H new ATOM 0 HA ARG B 82 148.817 -3.838 -4.947 1.00 0.24 H new ATOM 0 HB2 ARG B 82 150.361 -2.746 -6.592 1.00 0.28 H new ATOM 0 HB3 ARG B 82 151.601 -3.923 -6.207 1.00 0.28 H new ATOM 0 HG2 ARG B 82 150.101 -5.780 -6.938 1.00 0.32 H new ATOM 0 HG3 ARG B 82 148.814 -4.636 -7.261 1.00 0.32 H new ATOM 0 HD2 ARG B 82 150.216 -3.511 -8.989 1.00 0.85 H new ATOM 0 HD3 ARG B 82 151.547 -4.595 -8.639 1.00 0.85 H new ATOM 0 HE ARG B 82 149.424 -6.359 -9.216 1.00 1.42 H new ATOM 0 HH11 ARG B 82 150.901 -3.568 -10.714 1.00 2.26 H new ATOM 0 HH12 ARG B 82 150.591 -4.132 -12.359 1.00 2.26 H new ATOM 0 HH21 ARG B 82 149.038 -7.086 -11.318 1.00 2.74 H new ATOM 0 HH22 ARG B 82 149.545 -6.107 -12.698 1.00 2.74 H new ATOM 2700 N GLU B 83 151.363 -5.650 -3.888 1.00 0.25 N ATOM 2701 CA GLU B 83 151.692 -7.027 -3.424 1.00 0.27 C ATOM 2702 C GLU B 83 150.881 -7.353 -2.174 1.00 0.27 C ATOM 2703 O GLU B 83 150.440 -8.470 -1.993 1.00 0.28 O ATOM 2704 CB GLU B 83 153.195 -7.139 -3.132 1.00 0.29 C ATOM 2705 CG GLU B 83 153.956 -7.302 -4.453 1.00 0.33 C ATOM 2706 CD GLU B 83 155.456 -7.417 -4.179 1.00 1.20 C ATOM 2707 OE1 GLU B 83 155.920 -8.527 -3.979 1.00 1.57 O ATOM 2708 OE2 GLU B 83 156.116 -6.393 -4.175 1.00 1.91 O ATOM 0 H GLU B 83 152.105 -4.960 -3.770 1.00 0.25 H new ATOM 0 HA GLU B 83 151.438 -7.742 -4.207 1.00 0.27 H new ATOM 0 HB2 GLU B 83 153.542 -6.250 -2.606 1.00 0.29 H new ATOM 0 HB3 GLU B 83 153.388 -7.991 -2.480 1.00 0.29 H new ATOM 0 HG2 GLU B 83 153.604 -8.190 -4.978 1.00 0.33 H new ATOM 0 HG3 GLU B 83 153.761 -6.449 -5.103 1.00 0.33 H new ATOM 2715 N TRP B 84 150.651 -6.398 -1.317 1.00 0.25 N ATOM 2716 CA TRP B 84 149.839 -6.685 -0.108 1.00 0.25 C ATOM 2717 C TRP B 84 148.469 -7.150 -0.593 1.00 0.26 C ATOM 2718 O TRP B 84 147.912 -8.115 -0.109 1.00 0.28 O ATOM 2719 CB TRP B 84 149.683 -5.407 0.712 1.00 0.25 C ATOM 2720 CG TRP B 84 149.039 -5.725 2.022 1.00 0.27 C ATOM 2721 CD1 TRP B 84 149.705 -6.048 3.156 1.00 0.30 C ATOM 2722 CD2 TRP B 84 147.623 -5.754 2.357 1.00 0.29 C ATOM 2723 NE1 TRP B 84 148.785 -6.271 4.164 1.00 0.32 N ATOM 2724 CE2 TRP B 84 147.490 -6.102 3.721 1.00 0.32 C ATOM 2725 CE3 TRP B 84 146.450 -5.513 1.618 1.00 0.31 C ATOM 2726 CZ2 TRP B 84 146.242 -6.209 4.332 1.00 0.35 C ATOM 2727 CZ3 TRP B 84 145.190 -5.619 2.230 1.00 0.35 C ATOM 2728 CH2 TRP B 84 145.087 -5.967 3.585 1.00 0.36 C ATOM 0 H TRP B 84 150.988 -5.439 -1.402 1.00 0.25 H new ATOM 0 HA TRP B 84 150.313 -7.444 0.514 1.00 0.25 H new ATOM 0 HB2 TRP B 84 150.658 -4.948 0.877 1.00 0.25 H new ATOM 0 HB3 TRP B 84 149.079 -4.684 0.165 1.00 0.25 H new ATOM 0 HD1 TRP B 84 150.778 -6.120 3.257 1.00 0.30 H new ATOM 0 HE1 TRP B 84 149.034 -6.529 5.119 1.00 0.32 H new ATOM 0 HE3 TRP B 84 146.519 -5.245 0.574 1.00 0.31 H new ATOM 0 HZ2 TRP B 84 146.169 -6.477 5.376 1.00 0.35 H new ATOM 0 HZ3 TRP B 84 144.296 -5.432 1.654 1.00 0.35 H new ATOM 0 HH2 TRP B 84 144.116 -6.048 4.050 1.00 0.36 H new ATOM 2739 N CYS B 85 147.938 -6.468 -1.568 1.00 0.27 N ATOM 2740 CA CYS B 85 146.615 -6.858 -2.123 1.00 0.30 C ATOM 2741 C CYS B 85 146.716 -8.277 -2.693 1.00 0.33 C ATOM 2742 O CYS B 85 145.825 -9.088 -2.537 1.00 0.36 O ATOM 2743 CB CYS B 85 146.233 -5.872 -3.230 1.00 0.33 C ATOM 2744 SG CYS B 85 145.631 -4.338 -2.480 1.00 0.33 S ATOM 0 H CYS B 85 148.367 -5.653 -2.006 1.00 0.27 H new ATOM 0 HA CYS B 85 145.853 -6.837 -1.344 1.00 0.30 H new ATOM 0 HB2 CYS B 85 147.096 -5.667 -3.864 1.00 0.33 H new ATOM 0 HB3 CYS B 85 145.463 -6.305 -3.869 1.00 0.33 H new ATOM 0 HG CYS B 85 145.902 -3.337 -3.263 1.00 0.33 H new ATOM 2750 N ASP B 86 147.809 -8.583 -3.340 1.00 0.34 N ATOM 2751 CA ASP B 86 147.994 -9.949 -3.910 1.00 0.40 C ATOM 2752 C ASP B 86 147.952 -10.996 -2.793 1.00 0.41 C ATOM 2753 O ASP B 86 147.448 -12.087 -2.971 1.00 0.43 O ATOM 2754 CB ASP B 86 149.341 -10.035 -4.634 1.00 0.42 C ATOM 2755 CG ASP B 86 149.295 -9.195 -5.911 1.00 0.43 C ATOM 2756 OD1 ASP B 86 148.204 -8.964 -6.405 1.00 0.55 O ATOM 2757 OD2 ASP B 86 150.353 -8.799 -6.375 1.00 0.52 O ATOM 0 H ASP B 86 148.586 -7.941 -3.499 1.00 0.34 H new ATOM 0 HA ASP B 86 147.188 -10.144 -4.617 1.00 0.40 H new ATOM 0 HB2 ASP B 86 150.139 -9.679 -3.982 1.00 0.42 H new ATOM 0 HB3 ASP B 86 149.568 -11.073 -4.878 1.00 0.42 H new ATOM 2762 N ALA B 87 148.505 -10.684 -1.648 1.00 0.40 N ATOM 2763 CA ALA B 87 148.524 -11.678 -0.531 1.00 0.43 C ATOM 2764 C ALA B 87 147.247 -11.572 0.305 1.00 0.43 C ATOM 2765 O ALA B 87 146.715 -12.567 0.755 1.00 0.47 O ATOM 2766 CB ALA B 87 149.737 -11.411 0.363 1.00 0.40 C ATOM 0 H ALA B 87 148.943 -9.787 -1.438 1.00 0.40 H new ATOM 0 HA ALA B 87 148.584 -12.681 -0.954 1.00 0.43 H new ATOM 0 HB1 ALA B 87 149.754 -12.134 1.179 1.00 0.40 H new ATOM 0 HB2 ALA B 87 150.650 -11.505 -0.225 1.00 0.40 H new ATOM 0 HB3 ALA B 87 149.672 -10.403 0.773 1.00 0.40 H new ATOM 2772 N PHE B 88 146.758 -10.379 0.535 1.00 0.39 N ATOM 2773 CA PHE B 88 145.523 -10.220 1.367 1.00 0.44 C ATOM 2774 C PHE B 88 144.325 -9.909 0.479 1.00 0.54 C ATOM 2775 O PHE B 88 143.583 -10.785 0.081 1.00 1.24 O ATOM 2776 CB PHE B 88 145.708 -9.052 2.338 1.00 0.41 C ATOM 2777 CG PHE B 88 146.732 -9.408 3.385 1.00 0.38 C ATOM 2778 CD1 PHE B 88 146.326 -10.023 4.575 1.00 0.43 C ATOM 2779 CD2 PHE B 88 148.082 -9.117 3.171 1.00 0.35 C ATOM 2780 CE1 PHE B 88 147.273 -10.347 5.552 1.00 0.46 C ATOM 2781 CE2 PHE B 88 149.030 -9.439 4.149 1.00 0.39 C ATOM 2782 CZ PHE B 88 148.625 -10.054 5.340 1.00 0.44 C ATOM 0 H PHE B 88 147.159 -9.509 0.184 1.00 0.39 H new ATOM 0 HA PHE B 88 145.351 -11.149 1.911 1.00 0.44 H new ATOM 0 HB2 PHE B 88 146.027 -8.163 1.794 1.00 0.41 H new ATOM 0 HB3 PHE B 88 144.758 -8.811 2.814 1.00 0.41 H new ATOM 0 HD1 PHE B 88 145.282 -10.247 4.739 1.00 0.43 H new ATOM 0 HD2 PHE B 88 148.394 -8.644 2.251 1.00 0.35 H new ATOM 0 HE1 PHE B 88 146.961 -10.823 6.470 1.00 0.46 H new ATOM 0 HE2 PHE B 88 150.073 -9.213 3.985 1.00 0.39 H new ATOM 0 HZ PHE B 88 149.356 -10.302 6.095 1.00 0.44 H new ATOM 2792 N LEU B 89 144.117 -8.655 0.188 1.00 0.39 N ATOM 2793 CA LEU B 89 142.959 -8.241 -0.644 1.00 0.36 C ATOM 2794 C LEU B 89 143.289 -8.449 -2.122 1.00 0.87 C ATOM 2795 O LEU B 89 143.924 -7.584 -2.694 1.00 1.43 O ATOM 2796 CB LEU B 89 142.700 -6.756 -0.366 1.00 0.74 C ATOM 2797 CG LEU B 89 141.683 -6.183 -1.356 1.00 0.47 C ATOM 2798 CD1 LEU B 89 140.433 -7.065 -1.385 1.00 1.00 C ATOM 2799 CD2 LEU B 89 141.302 -4.770 -0.902 1.00 1.27 C ATOM 2800 OXT LEU B 89 142.901 -9.476 -2.656 1.00 1.67 O ATOM 0 H LEU B 89 144.713 -7.888 0.499 1.00 0.39 H new ATOM 0 HA LEU B 89 142.076 -8.833 -0.403 1.00 0.36 H new ATOM 0 HB2 LEU B 89 142.332 -6.632 0.652 1.00 0.74 H new ATOM 0 HB3 LEU B 89 143.635 -6.200 -0.437 1.00 0.74 H new ATOM 0 HG LEU B 89 142.117 -6.152 -2.355 1.00 0.47 H new ATOM 0 HD11 LEU B 89 139.713 -6.652 -2.091 1.00 1.00 H new ATOM 0 HD12 LEU B 89 140.707 -8.074 -1.694 1.00 1.00 H new ATOM 0 HD13 LEU B 89 139.988 -7.098 -0.391 1.00 1.00 H new ATOM 0 HD21 LEU B 89 140.577 -4.347 -1.598 1.00 1.27 H new ATOM 0 HD22 LEU B 89 140.865 -4.814 0.095 1.00 1.27 H new ATOM 0 HD23 LEU B 89 142.193 -4.142 -0.880 1.00 1.27 H new TER 2812 LEU B 89