USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 600 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 LYS NZ :NH3+ -111:sc= 0.0472 (180deg=0) USER MOD Set 1.2: A 26 GLN : amide:sc= -0.299 X(o=-0.25,f=-0.15) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= -0.0469 X(o=-0.047,f=-0.017) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.0078) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= 0.0321 K(o=0.032,f=-0.61) USER MOD Single : A 11 MET CE :methyl 178:sc= -0.923 (180deg=-0.943) USER MOD Single : A 12 SER OG : rot 180:sc= -0.0253 USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -1.54 K(o=-1.5,f=-4.7!) USER MOD Single : A 24 SER OG : rot 66:sc= 1.15 USER MOD Single : A 25 HIS : no HD1:sc= -0.215 X(o=-0.22,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -171:sc= 0.77 (180deg=0.669) USER MOD Single : A 28 TYR OH : rot 180:sc= 0.473 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 136:sc= -0.666 (180deg=-2.9!) USER MOD Single : A 40 ASN : amide:sc=-0.00409 K(o=-0.0041,f=-2.9) USER MOD Single : A 42 LYS NZ :NH3+ -160:sc= 0.161 (180deg=0.0686) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.113 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 GLN :FLIP amide:sc=-0.00959 F(o=-0.88,f=-0.0096) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.368 X(o=-0.37,f=0) USER MOD Single : A 54 ASN : amide:sc= 0.79 K(o=0.79,f=0) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0252) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ -170:sc= -0.0226 (180deg=-0.15) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 28.096 7.573 1.103 1.00 60.14 N ATOM 2 CA MET A 1 27.296 7.500 2.352 1.00 73.52 C ATOM 3 C MET A 1 25.981 6.723 2.103 1.00 54.51 C ATOM 4 O MET A 1 25.778 5.638 2.656 1.00 74.52 O ATOM 5 CB MET A 1 27.008 8.933 2.889 1.00 70.11 C ATOM 6 CG MET A 1 26.273 8.984 4.239 1.00 61.45 C ATOM 7 SD MET A 1 27.212 8.201 5.567 1.00 23.41 S ATOM 8 CE MET A 1 26.147 8.497 6.982 1.00 65.04 C ATOM 0 H1 MET A 1 28.976 8.097 1.284 1.00 60.14 H new ATOM 0 H2 MET A 1 28.326 6.611 0.781 1.00 60.14 H new ATOM 0 H3 MET A 1 27.547 8.062 0.367 1.00 60.14 H new ATOM 0 HA MET A 1 27.867 6.962 3.109 1.00 73.52 H new ATOM 0 HB2 MET A 1 27.954 9.465 2.987 1.00 70.11 H new ATOM 0 HB3 MET A 1 26.415 9.470 2.149 1.00 70.11 H new ATOM 0 HG2 MET A 1 26.075 10.023 4.502 1.00 61.45 H new ATOM 0 HG3 MET A 1 25.306 8.490 4.142 1.00 61.45 H new ATOM 0 HE1 MET A 1 26.601 8.068 7.875 1.00 65.04 H new ATOM 0 HE2 MET A 1 26.017 9.570 7.121 1.00 65.04 H new ATOM 0 HE3 MET A 1 25.176 8.033 6.810 1.00 65.04 H new ATOM 20 N GLY A 2 25.102 7.291 1.254 1.00 62.31 N ATOM 21 CA GLY A 2 23.803 6.681 0.930 1.00 71.12 C ATOM 22 C GLY A 2 23.820 5.873 -0.364 1.00 42.33 C ATOM 23 O GLY A 2 24.774 5.134 -0.612 1.00 73.20 O ATOM 0 H GLY A 2 25.273 8.177 0.779 1.00 62.31 H new ATOM 0 HA2 GLY A 2 23.500 6.032 1.751 1.00 71.12 H new ATOM 0 HA3 GLY A 2 23.051 7.466 0.850 1.00 71.12 H new ATOM 27 N HIS A 3 22.732 6.004 -1.169 1.00 62.14 N ATOM 28 CA HIS A 3 22.560 5.327 -2.482 1.00 64.32 C ATOM 29 C HIS A 3 22.621 3.782 -2.348 1.00 31.24 C ATOM 30 O HIS A 3 23.203 3.090 -3.189 1.00 60.24 O ATOM 31 CB HIS A 3 23.594 5.861 -3.519 1.00 33.43 C ATOM 32 CG HIS A 3 23.488 7.343 -3.784 1.00 64.01 C ATOM 33 ND1 HIS A 3 22.639 7.887 -4.727 1.00 42.03 N ATOM 34 CD2 HIS A 3 24.114 8.400 -3.206 1.00 21.21 C ATOM 35 CE1 HIS A 3 22.748 9.199 -4.714 1.00 13.34 C ATOM 36 NE2 HIS A 3 23.629 9.535 -3.804 1.00 53.42 N ATOM 0 H HIS A 3 21.937 6.593 -0.919 1.00 62.14 H new ATOM 0 HA HIS A 3 21.563 5.568 -2.852 1.00 64.32 H new ATOM 0 HB2 HIS A 3 24.599 5.637 -3.163 1.00 33.43 H new ATOM 0 HB3 HIS A 3 23.462 5.324 -4.458 1.00 33.43 H new ATOM 0 HD2 HIS A 3 24.855 8.355 -2.422 1.00 21.21 H new ATOM 0 HE1 HIS A 3 22.203 9.883 -5.347 1.00 13.34 H new ATOM 0 HE2 HIS A 3 23.909 10.489 -3.577 1.00 53.42 H new ATOM 45 N HIS A 4 21.998 3.254 -1.281 1.00 42.31 N ATOM 46 CA HIS A 4 21.966 1.807 -1.003 1.00 15.23 C ATOM 47 C HIS A 4 20.875 1.103 -1.850 1.00 41.12 C ATOM 48 O HIS A 4 19.675 1.271 -1.602 1.00 33.42 O ATOM 49 CB HIS A 4 21.737 1.547 0.507 1.00 51.31 C ATOM 50 CG HIS A 4 22.788 2.164 1.400 1.00 50.43 C ATOM 51 ND1 HIS A 4 22.485 2.894 2.528 1.00 54.13 N ATOM 52 CD2 HIS A 4 24.146 2.136 1.337 1.00 30.42 C ATOM 53 CE1 HIS A 4 23.594 3.290 3.108 1.00 61.32 C ATOM 54 NE2 HIS A 4 24.615 2.844 2.410 1.00 11.33 N ATOM 0 H HIS A 4 21.503 3.816 -0.588 1.00 42.31 H new ATOM 0 HA HIS A 4 22.933 1.388 -1.282 1.00 15.23 H new ATOM 0 HB2 HIS A 4 20.759 1.938 0.789 1.00 51.31 H new ATOM 0 HB3 HIS A 4 21.712 0.471 0.681 1.00 51.31 H new ATOM 0 HD2 HIS A 4 24.743 1.647 0.582 1.00 30.42 H new ATOM 0 HE1 HIS A 4 23.657 3.883 4.008 1.00 61.32 H new ATOM 0 HE2 HIS A 4 25.598 3.000 2.632 1.00 11.33 H new ATOM 63 N HIS A 5 21.315 0.358 -2.876 1.00 1.12 N ATOM 64 CA HIS A 5 20.436 -0.460 -3.728 1.00 54.13 C ATOM 65 C HIS A 5 20.191 -1.830 -3.054 1.00 51.54 C ATOM 66 O HIS A 5 21.131 -2.614 -2.873 1.00 52.25 O ATOM 67 CB HIS A 5 21.081 -0.642 -5.124 1.00 50.35 C ATOM 68 CG HIS A 5 20.258 -1.455 -6.084 1.00 71.44 C ATOM 69 ND1 HIS A 5 19.140 -0.966 -6.721 1.00 11.13 N ATOM 70 CD2 HIS A 5 20.384 -2.739 -6.504 1.00 32.22 C ATOM 71 CE1 HIS A 5 18.617 -1.903 -7.474 1.00 12.23 C ATOM 72 NE2 HIS A 5 19.351 -2.990 -7.364 1.00 0.43 N ATOM 0 H HIS A 5 22.299 0.306 -3.140 1.00 1.12 H new ATOM 0 HA HIS A 5 19.477 0.042 -3.855 1.00 54.13 H new ATOM 0 HB2 HIS A 5 21.260 0.341 -5.559 1.00 50.35 H new ATOM 0 HB3 HIS A 5 22.053 -1.119 -5.003 1.00 50.35 H new ATOM 0 HD2 HIS A 5 21.157 -3.434 -6.213 1.00 32.22 H new ATOM 0 HE1 HIS A 5 17.731 -1.800 -8.083 1.00 12.23 H new ATOM 0 HE2 HIS A 5 19.178 -3.874 -7.842 1.00 0.43 H new ATOM 81 N HIS A 6 18.930 -2.099 -2.684 1.00 64.10 N ATOM 82 CA HIS A 6 18.534 -3.330 -1.963 1.00 51.21 C ATOM 83 C HIS A 6 18.416 -4.534 -2.929 1.00 41.14 C ATOM 84 O HIS A 6 18.109 -4.362 -4.116 1.00 0.12 O ATOM 85 CB HIS A 6 17.195 -3.095 -1.212 1.00 14.00 C ATOM 86 CG HIS A 6 17.271 -2.062 -0.116 1.00 23.14 C ATOM 87 ND1 HIS A 6 17.027 -2.350 1.208 1.00 42.11 N ATOM 88 CD2 HIS A 6 17.561 -0.737 -0.150 1.00 41.24 C ATOM 89 CE1 HIS A 6 17.155 -1.260 1.930 1.00 50.24 C ATOM 90 NE2 HIS A 6 17.482 -0.269 1.132 1.00 54.23 N ATOM 0 H HIS A 6 18.150 -1.470 -2.874 1.00 64.10 H new ATOM 0 HA HIS A 6 19.311 -3.567 -1.236 1.00 51.21 H new ATOM 0 HB2 HIS A 6 16.437 -2.788 -1.933 1.00 14.00 H new ATOM 0 HB3 HIS A 6 16.862 -4.040 -0.782 1.00 14.00 H new ATOM 0 HD2 HIS A 6 17.809 -0.159 -1.028 1.00 41.24 H new ATOM 0 HE1 HIS A 6 17.015 -1.190 2.999 1.00 50.24 H new ATOM 0 HE2 HIS A 6 17.650 0.694 1.422 1.00 54.23 H new ATOM 99 N HIS A 7 18.682 -5.745 -2.409 1.00 71.13 N ATOM 100 CA HIS A 7 18.509 -7.005 -3.172 1.00 5.43 C ATOM 101 C HIS A 7 17.039 -7.468 -3.151 1.00 14.33 C ATOM 102 O HIS A 7 16.585 -8.143 -4.081 1.00 12.10 O ATOM 103 CB HIS A 7 19.445 -8.108 -2.632 1.00 31.34 C ATOM 104 CG HIS A 7 20.907 -7.780 -2.808 1.00 12.45 C ATOM 105 ND1 HIS A 7 21.488 -7.594 -4.046 1.00 50.30 N ATOM 106 CD2 HIS A 7 21.897 -7.579 -1.906 1.00 41.25 C ATOM 107 CE1 HIS A 7 22.762 -7.298 -3.894 1.00 4.40 C ATOM 108 NE2 HIS A 7 23.033 -7.283 -2.609 1.00 24.12 N ATOM 0 H HIS A 7 19.020 -5.883 -1.457 1.00 71.13 H new ATOM 0 HA HIS A 7 18.782 -6.810 -4.209 1.00 5.43 H new ATOM 0 HB2 HIS A 7 19.239 -8.265 -1.573 1.00 31.34 H new ATOM 0 HB3 HIS A 7 19.225 -9.046 -3.143 1.00 31.34 H new ATOM 0 HD2 HIS A 7 21.807 -7.641 -0.832 1.00 41.25 H new ATOM 0 HE1 HIS A 7 23.464 -7.101 -4.690 1.00 4.40 H new ATOM 0 HE2 HIS A 7 23.946 -7.082 -2.200 1.00 24.12 H new ATOM 117 N HIS A 8 16.308 -7.108 -2.078 1.00 52.13 N ATOM 118 CA HIS A 8 14.848 -7.296 -2.011 1.00 53.21 C ATOM 119 C HIS A 8 14.162 -6.300 -2.970 1.00 52.05 C ATOM 120 O HIS A 8 14.306 -5.082 -2.802 1.00 41.45 O ATOM 121 CB HIS A 8 14.333 -7.107 -0.560 1.00 55.41 C ATOM 122 CG HIS A 8 12.835 -7.246 -0.407 1.00 12.31 C ATOM 123 ND1 HIS A 8 12.178 -8.454 -0.505 1.00 14.02 N ATOM 124 CD2 HIS A 8 11.864 -6.319 -0.186 1.00 22.24 C ATOM 125 CE1 HIS A 8 10.883 -8.269 -0.353 1.00 73.42 C ATOM 126 NE2 HIS A 8 10.668 -6.988 -0.156 1.00 21.24 N ATOM 0 H HIS A 8 16.709 -6.683 -1.242 1.00 52.13 H new ATOM 0 HA HIS A 8 14.604 -8.314 -2.316 1.00 53.21 H new ATOM 0 HB2 HIS A 8 14.821 -7.838 0.084 1.00 55.41 H new ATOM 0 HB3 HIS A 8 14.632 -6.120 -0.207 1.00 55.41 H new ATOM 0 HD2 HIS A 8 12.008 -5.256 -0.058 1.00 22.24 H new ATOM 0 HE1 HIS A 8 10.127 -9.039 -0.385 1.00 73.42 H new ATOM 0 HE2 HIS A 8 9.755 -6.559 -0.005 1.00 21.24 H new ATOM 135 N SER A 9 13.436 -6.839 -3.966 1.00 42.15 N ATOM 136 CA SER A 9 12.741 -6.038 -4.999 1.00 44.23 C ATOM 137 C SER A 9 11.729 -5.052 -4.375 1.00 10.00 C ATOM 138 O SER A 9 10.920 -5.436 -3.527 1.00 41.34 O ATOM 139 CB SER A 9 12.025 -6.965 -6.010 1.00 61.34 C ATOM 140 OG SER A 9 12.948 -7.833 -6.657 1.00 41.50 O ATOM 0 H SER A 9 13.312 -7.845 -4.080 1.00 42.15 H new ATOM 0 HA SER A 9 13.497 -5.453 -5.522 1.00 44.23 H new ATOM 0 HB2 SER A 9 11.268 -7.555 -5.493 1.00 61.34 H new ATOM 0 HB3 SER A 9 11.505 -6.362 -6.755 1.00 61.34 H new ATOM 0 HG SER A 9 12.468 -8.408 -7.289 1.00 41.50 H new ATOM 146 N HIS A 10 11.801 -3.777 -4.800 1.00 21.20 N ATOM 147 CA HIS A 10 10.929 -2.693 -4.290 1.00 34.35 C ATOM 148 C HIS A 10 9.975 -2.186 -5.389 1.00 71.00 C ATOM 149 O HIS A 10 10.187 -2.448 -6.579 1.00 23.01 O ATOM 150 CB HIS A 10 11.787 -1.523 -3.734 1.00 34.43 C ATOM 151 CG HIS A 10 12.582 -0.763 -4.775 1.00 34.55 C ATOM 152 ND1 HIS A 10 13.635 -1.309 -5.466 1.00 12.41 N ATOM 153 CD2 HIS A 10 12.465 0.506 -5.235 1.00 72.24 C ATOM 154 CE1 HIS A 10 14.128 -0.419 -6.298 1.00 23.30 C ATOM 155 NE2 HIS A 10 13.437 0.689 -6.179 1.00 54.21 N ATOM 0 H HIS A 10 12.466 -3.465 -5.508 1.00 21.20 H new ATOM 0 HA HIS A 10 10.324 -3.099 -3.479 1.00 34.35 H new ATOM 0 HB2 HIS A 10 11.130 -0.823 -3.218 1.00 34.43 H new ATOM 0 HB3 HIS A 10 12.477 -1.920 -2.990 1.00 34.43 H new ATOM 0 HD2 HIS A 10 11.738 1.238 -4.915 1.00 72.24 H new ATOM 0 HE1 HIS A 10 14.962 -0.574 -6.967 1.00 23.30 H new ATOM 0 HE2 HIS A 10 13.598 1.548 -6.705 1.00 54.21 H new ATOM 164 N MET A 11 8.933 -1.461 -4.964 1.00 22.53 N ATOM 165 CA MET A 11 7.931 -0.849 -5.868 1.00 23.53 C ATOM 166 C MET A 11 8.545 0.200 -6.829 1.00 52.14 C ATOM 167 O MET A 11 9.590 0.794 -6.542 1.00 1.12 O ATOM 168 CB MET A 11 6.801 -0.195 -5.037 1.00 52.03 C ATOM 169 CG MET A 11 6.019 -1.172 -4.158 1.00 42.14 C ATOM 170 SD MET A 11 7.009 -1.875 -2.822 1.00 23.22 S ATOM 171 CE MET A 11 5.820 -2.985 -2.088 1.00 10.33 C ATOM 0 H MET A 11 8.753 -1.277 -3.977 1.00 22.53 H new ATOM 0 HA MET A 11 7.530 -1.653 -6.485 1.00 23.53 H new ATOM 0 HB2 MET A 11 7.234 0.579 -4.403 1.00 52.03 H new ATOM 0 HB3 MET A 11 6.107 0.300 -5.716 1.00 52.03 H new ATOM 0 HG2 MET A 11 5.158 -0.658 -3.732 1.00 42.14 H new ATOM 0 HG3 MET A 11 5.632 -1.980 -4.779 1.00 42.14 H new ATOM 0 HE1 MET A 11 6.287 -3.526 -1.265 1.00 10.33 H new ATOM 0 HE2 MET A 11 4.972 -2.413 -1.711 1.00 10.33 H new ATOM 0 HE3 MET A 11 5.473 -3.695 -2.839 1.00 10.33 H new ATOM 181 N SER A 12 7.847 0.438 -7.953 1.00 21.41 N ATOM 182 CA SER A 12 8.263 1.438 -8.973 1.00 32.33 C ATOM 183 C SER A 12 7.881 2.860 -8.511 1.00 44.40 C ATOM 184 O SER A 12 7.050 3.002 -7.629 1.00 53.11 O ATOM 185 CB SER A 12 7.622 1.117 -10.339 1.00 41.24 C ATOM 186 OG SER A 12 7.996 2.069 -11.331 1.00 51.20 O ATOM 0 H SER A 12 6.982 -0.050 -8.187 1.00 21.41 H new ATOM 0 HA SER A 12 9.346 1.391 -9.087 1.00 32.33 H new ATOM 0 HB2 SER A 12 7.925 0.120 -10.658 1.00 41.24 H new ATOM 0 HB3 SER A 12 6.537 1.103 -10.238 1.00 41.24 H new ATOM 0 HG SER A 12 7.574 1.835 -12.184 1.00 51.20 H new ATOM 192 N HIS A 13 8.466 3.904 -9.138 1.00 54.44 N ATOM 193 CA HIS A 13 8.353 5.314 -8.665 1.00 23.10 C ATOM 194 C HIS A 13 6.875 5.801 -8.540 1.00 75.42 C ATOM 195 O HIS A 13 6.455 6.226 -7.460 1.00 42.51 O ATOM 196 CB HIS A 13 9.170 6.252 -9.595 1.00 75.43 C ATOM 197 CG HIS A 13 9.352 7.656 -9.066 1.00 43.44 C ATOM 198 ND1 HIS A 13 10.434 8.033 -8.305 1.00 15.03 N ATOM 199 CD2 HIS A 13 8.587 8.769 -9.188 1.00 12.32 C ATOM 200 CE1 HIS A 13 10.332 9.304 -7.992 1.00 33.25 C ATOM 201 NE2 HIS A 13 9.218 9.776 -8.509 1.00 12.22 N ATOM 0 H HIS A 13 9.029 3.801 -9.983 1.00 54.44 H new ATOM 0 HA HIS A 13 8.769 5.350 -7.658 1.00 23.10 H new ATOM 0 HB2 HIS A 13 10.152 5.810 -9.763 1.00 75.43 H new ATOM 0 HB3 HIS A 13 8.674 6.304 -10.564 1.00 75.43 H new ATOM 0 HD2 HIS A 13 7.652 8.847 -9.723 1.00 12.32 H new ATOM 0 HE1 HIS A 13 11.044 9.868 -7.408 1.00 33.25 H new ATOM 0 HE2 HIS A 13 8.880 10.734 -8.419 1.00 12.22 H new ATOM 210 N THR A 14 6.102 5.722 -9.647 1.00 41.43 N ATOM 211 CA THR A 14 4.664 6.121 -9.664 1.00 23.03 C ATOM 212 C THR A 14 3.801 5.199 -8.766 1.00 22.01 C ATOM 213 O THR A 14 2.791 5.629 -8.202 1.00 54.12 O ATOM 214 CB THR A 14 4.082 6.115 -11.120 1.00 25.35 C ATOM 215 OG1 THR A 14 4.928 6.879 -11.988 1.00 0.42 O ATOM 216 CG2 THR A 14 2.652 6.688 -11.192 1.00 42.51 C ATOM 0 H THR A 14 6.446 5.385 -10.546 1.00 41.43 H new ATOM 0 HA THR A 14 4.622 7.136 -9.268 1.00 23.03 H new ATOM 0 HB THR A 14 4.043 5.073 -11.437 1.00 25.35 H new ATOM 0 HG1 THR A 14 4.559 6.869 -12.896 1.00 0.42 H new ATOM 0 HG21 THR A 14 2.300 6.659 -12.223 1.00 42.51 H new ATOM 0 HG22 THR A 14 1.989 6.091 -10.565 1.00 42.51 H new ATOM 0 HG23 THR A 14 2.655 7.719 -10.838 1.00 42.51 H new ATOM 224 N GLN A 15 4.216 3.929 -8.644 1.00 4.22 N ATOM 225 CA GLN A 15 3.542 2.935 -7.785 1.00 73.31 C ATOM 226 C GLN A 15 3.671 3.306 -6.289 1.00 2.30 C ATOM 227 O GLN A 15 2.698 3.208 -5.535 1.00 53.24 O ATOM 228 CB GLN A 15 4.130 1.538 -8.079 1.00 54.40 C ATOM 229 CG GLN A 15 3.533 0.394 -7.244 1.00 0.13 C ATOM 230 CD GLN A 15 3.961 -0.974 -7.757 1.00 50.43 C ATOM 231 OE1 GLN A 15 4.984 -1.509 -7.366 1.00 45.25 O ATOM 232 NE2 GLN A 15 3.192 -1.537 -8.652 1.00 63.54 N ATOM 0 H GLN A 15 5.029 3.559 -9.137 1.00 4.22 H new ATOM 0 HA GLN A 15 2.476 2.925 -8.011 1.00 73.31 H new ATOM 0 HB2 GLN A 15 3.982 1.313 -9.135 1.00 54.40 H new ATOM 0 HB3 GLN A 15 5.206 1.570 -7.908 1.00 54.40 H new ATOM 0 HG2 GLN A 15 3.843 0.504 -6.205 1.00 0.13 H new ATOM 0 HG3 GLN A 15 2.445 0.463 -7.261 1.00 0.13 H new ATOM 0 HE21 GLN A 15 2.341 -1.067 -8.962 1.00 63.54 H new ATOM 0 HE22 GLN A 15 3.443 -2.446 -9.041 1.00 63.54 H new ATOM 241 N VAL A 16 4.884 3.751 -5.886 1.00 33.43 N ATOM 242 CA VAL A 16 5.148 4.294 -4.537 1.00 20.04 C ATOM 243 C VAL A 16 4.277 5.547 -4.292 1.00 22.31 C ATOM 244 O VAL A 16 3.724 5.694 -3.215 1.00 23.20 O ATOM 245 CB VAL A 16 6.680 4.639 -4.323 1.00 14.12 C ATOM 246 CG1 VAL A 16 6.945 5.294 -2.941 1.00 42.12 C ATOM 247 CG2 VAL A 16 7.569 3.381 -4.499 1.00 34.33 C ATOM 0 H VAL A 16 5.707 3.743 -6.489 1.00 33.43 H new ATOM 0 HA VAL A 16 4.886 3.522 -3.814 1.00 20.04 H new ATOM 0 HB VAL A 16 6.946 5.365 -5.091 1.00 14.12 H new ATOM 0 HG11 VAL A 16 8.008 5.512 -2.840 1.00 42.12 H new ATOM 0 HG12 VAL A 16 6.375 6.220 -2.862 1.00 42.12 H new ATOM 0 HG13 VAL A 16 6.638 4.610 -2.149 1.00 42.12 H new ATOM 0 HG21 VAL A 16 8.614 3.650 -4.346 1.00 34.33 H new ATOM 0 HG22 VAL A 16 7.278 2.625 -3.769 1.00 34.33 H new ATOM 0 HG23 VAL A 16 7.440 2.982 -5.505 1.00 34.33 H new ATOM 257 N ILE A 17 4.143 6.420 -5.326 1.00 21.44 N ATOM 258 CA ILE A 17 3.264 7.623 -5.276 1.00 13.24 C ATOM 259 C ILE A 17 1.806 7.239 -4.921 1.00 0.02 C ATOM 260 O ILE A 17 1.217 7.822 -4.013 1.00 55.40 O ATOM 261 CB ILE A 17 3.290 8.423 -6.644 1.00 74.23 C ATOM 262 CG1 ILE A 17 4.719 8.995 -6.925 1.00 63.12 C ATOM 263 CG2 ILE A 17 2.221 9.550 -6.689 1.00 63.13 C ATOM 264 CD1 ILE A 17 4.877 9.723 -8.256 1.00 22.45 C ATOM 0 H ILE A 17 4.637 6.312 -6.212 1.00 21.44 H new ATOM 0 HA ILE A 17 3.658 8.269 -4.492 1.00 13.24 H new ATOM 0 HB ILE A 17 3.038 7.716 -7.434 1.00 74.23 H new ATOM 0 HG12 ILE A 17 4.983 9.681 -6.120 1.00 63.12 H new ATOM 0 HG13 ILE A 17 5.435 8.174 -6.891 1.00 63.12 H new ATOM 0 HG21 ILE A 17 2.279 10.069 -7.646 1.00 63.13 H new ATOM 0 HG22 ILE A 17 1.228 9.115 -6.572 1.00 63.13 H new ATOM 0 HG23 ILE A 17 2.405 10.258 -5.881 1.00 63.13 H new ATOM 0 HD11 ILE A 17 5.902 10.081 -8.355 1.00 22.45 H new ATOM 0 HD12 ILE A 17 4.651 9.039 -9.074 1.00 22.45 H new ATOM 0 HD13 ILE A 17 4.192 10.570 -8.291 1.00 22.45 H new ATOM 276 N GLU A 18 1.258 6.237 -5.632 1.00 73.14 N ATOM 277 CA GLU A 18 -0.128 5.744 -5.423 1.00 13.30 C ATOM 278 C GLU A 18 -0.327 5.148 -4.018 1.00 24.52 C ATOM 279 O GLU A 18 -1.365 5.367 -3.371 1.00 11.02 O ATOM 280 CB GLU A 18 -0.473 4.693 -6.506 1.00 52.41 C ATOM 281 CG GLU A 18 -0.511 5.265 -7.933 1.00 65.34 C ATOM 282 CD GLU A 18 -1.548 6.389 -8.090 1.00 41.01 C ATOM 283 OE1 GLU A 18 -2.758 6.084 -8.165 1.00 14.42 O ATOM 284 OE2 GLU A 18 -1.164 7.579 -8.115 1.00 44.14 O ATOM 0 H GLU A 18 1.759 5.742 -6.370 1.00 73.14 H new ATOM 0 HA GLU A 18 -0.802 6.596 -5.507 1.00 13.30 H new ATOM 0 HB2 GLU A 18 0.261 3.889 -6.466 1.00 52.41 H new ATOM 0 HB3 GLU A 18 -1.442 4.251 -6.275 1.00 52.41 H new ATOM 0 HG2 GLU A 18 0.476 5.647 -8.194 1.00 65.34 H new ATOM 0 HG3 GLU A 18 -0.739 4.464 -8.636 1.00 65.34 H new ATOM 291 N LEU A 19 0.680 4.396 -3.567 1.00 22.25 N ATOM 292 CA LEU A 19 0.734 3.851 -2.204 1.00 45.34 C ATOM 293 C LEU A 19 0.791 4.986 -1.145 1.00 35.05 C ATOM 294 O LEU A 19 0.150 4.873 -0.111 1.00 14.24 O ATOM 295 CB LEU A 19 1.964 2.915 -2.073 1.00 53.02 C ATOM 296 CG LEU A 19 1.888 1.548 -2.820 1.00 22.22 C ATOM 297 CD1 LEU A 19 3.265 0.860 -2.866 1.00 75.41 C ATOM 298 CD2 LEU A 19 0.836 0.619 -2.175 1.00 33.14 C ATOM 0 H LEU A 19 1.487 4.145 -4.139 1.00 22.25 H new ATOM 0 HA LEU A 19 -0.175 3.279 -2.019 1.00 45.34 H new ATOM 0 HB2 LEU A 19 2.840 3.452 -2.436 1.00 53.02 H new ATOM 0 HB3 LEU A 19 2.128 2.715 -1.014 1.00 53.02 H new ATOM 0 HG LEU A 19 1.578 1.751 -3.845 1.00 22.22 H new ATOM 0 HD11 LEU A 19 3.179 -0.090 -3.393 1.00 75.41 H new ATOM 0 HD12 LEU A 19 3.975 1.502 -3.388 1.00 75.41 H new ATOM 0 HD13 LEU A 19 3.616 0.681 -1.850 1.00 75.41 H new ATOM 0 HD21 LEU A 19 0.805 -0.327 -2.716 1.00 33.14 H new ATOM 0 HD22 LEU A 19 1.104 0.433 -1.135 1.00 33.14 H new ATOM 0 HD23 LEU A 19 -0.144 1.094 -2.218 1.00 33.14 H new ATOM 310 N GLU A 20 1.565 6.071 -1.424 1.00 53.44 N ATOM 311 CA GLU A 20 1.726 7.239 -0.509 1.00 0.52 C ATOM 312 C GLU A 20 0.429 8.053 -0.397 1.00 32.21 C ATOM 313 O GLU A 20 0.130 8.588 0.666 1.00 35.14 O ATOM 314 CB GLU A 20 2.894 8.168 -0.968 1.00 73.44 C ATOM 315 CG GLU A 20 4.304 7.564 -0.807 1.00 64.44 C ATOM 316 CD GLU A 20 5.426 8.463 -1.342 1.00 2.53 C ATOM 317 OE1 GLU A 20 5.526 8.637 -2.577 1.00 54.31 O ATOM 318 OE2 GLU A 20 6.220 8.998 -0.537 1.00 4.52 O ATOM 0 H GLU A 20 2.096 6.161 -2.290 1.00 53.44 H new ATOM 0 HA GLU A 20 1.967 6.835 0.474 1.00 0.52 H new ATOM 0 HB2 GLU A 20 2.743 8.427 -2.016 1.00 73.44 H new ATOM 0 HB3 GLU A 20 2.845 9.097 -0.400 1.00 73.44 H new ATOM 0 HG2 GLU A 20 4.485 7.362 0.249 1.00 64.44 H new ATOM 0 HG3 GLU A 20 4.340 6.606 -1.325 1.00 64.44 H new ATOM 325 N ARG A 21 -0.312 8.159 -1.515 1.00 30.05 N ATOM 326 CA ARG A 21 -1.646 8.795 -1.551 1.00 61.51 C ATOM 327 C ARG A 21 -2.623 8.042 -0.627 1.00 42.40 C ATOM 328 O ARG A 21 -3.245 8.644 0.247 1.00 0.22 O ATOM 329 CB ARG A 21 -2.192 8.828 -3.002 1.00 34.15 C ATOM 330 CG ARG A 21 -1.353 9.685 -3.976 1.00 52.12 C ATOM 331 CD ARG A 21 -1.868 9.609 -5.423 1.00 3.32 C ATOM 332 NE ARG A 21 -3.252 10.111 -5.547 1.00 63.15 N ATOM 333 CZ ARG A 21 -4.115 9.755 -6.480 1.00 43.52 C ATOM 334 NH1 ARG A 21 -3.821 8.852 -7.372 1.00 55.42 N ATOM 335 NH2 ARG A 21 -5.286 10.295 -6.488 1.00 12.33 N ATOM 0 H ARG A 21 -0.004 7.806 -2.421 1.00 30.05 H new ATOM 0 HA ARG A 21 -1.550 9.821 -1.195 1.00 61.51 H new ATOM 0 HB2 ARG A 21 -2.241 7.808 -3.383 1.00 34.15 H new ATOM 0 HB3 ARG A 21 -3.212 9.211 -2.986 1.00 34.15 H new ATOM 0 HG2 ARG A 21 -1.365 10.723 -3.644 1.00 52.12 H new ATOM 0 HG3 ARG A 21 -0.315 9.353 -3.945 1.00 52.12 H new ATOM 0 HD2 ARG A 21 -1.213 10.190 -6.072 1.00 3.32 H new ATOM 0 HD3 ARG A 21 -1.825 8.576 -5.769 1.00 3.32 H new ATOM 0 HE ARG A 21 -3.567 10.789 -4.854 1.00 63.15 H new ATOM 0 HH11 ARG A 21 -2.906 8.402 -7.360 1.00 55.42 H new ATOM 0 HH12 ARG A 21 -4.506 8.595 -8.083 1.00 55.42 H new ATOM 0 HH21 ARG A 21 -5.534 10.986 -5.780 1.00 12.33 H new ATOM 0 HH22 ARG A 21 -5.965 10.031 -7.202 1.00 12.33 H new ATOM 349 N LYS A 22 -2.693 6.711 -0.806 1.00 45.35 N ATOM 350 CA LYS A 22 -3.534 5.823 0.024 1.00 50.10 C ATOM 351 C LYS A 22 -3.093 5.865 1.513 1.00 24.54 C ATOM 352 O LYS A 22 -3.933 5.905 2.417 1.00 24.01 O ATOM 353 CB LYS A 22 -3.472 4.375 -0.535 1.00 44.34 C ATOM 354 CG LYS A 22 -4.470 3.388 0.112 1.00 35.32 C ATOM 355 CD LYS A 22 -5.944 3.816 -0.100 1.00 22.12 C ATOM 356 CE LYS A 22 -6.945 2.807 0.473 1.00 53.25 C ATOM 357 NZ LYS A 22 -8.342 3.277 0.325 1.00 2.30 N ATOM 0 H LYS A 22 -2.169 6.218 -1.529 1.00 45.35 H new ATOM 0 HA LYS A 22 -4.565 6.174 -0.019 1.00 50.10 H new ATOM 0 HB2 LYS A 22 -3.658 4.407 -1.609 1.00 44.34 H new ATOM 0 HB3 LYS A 22 -2.461 3.990 -0.398 1.00 44.34 H new ATOM 0 HG2 LYS A 22 -4.319 2.394 -0.309 1.00 35.32 H new ATOM 0 HG3 LYS A 22 -4.265 3.316 1.180 1.00 35.32 H new ATOM 0 HD2 LYS A 22 -6.106 4.787 0.368 1.00 22.12 H new ATOM 0 HD3 LYS A 22 -6.131 3.941 -1.167 1.00 22.12 H new ATOM 0 HE2 LYS A 22 -6.827 1.850 -0.034 1.00 53.25 H new ATOM 0 HE3 LYS A 22 -6.728 2.638 1.528 1.00 53.25 H new ATOM 0 HZ1 LYS A 22 -8.732 3.506 1.261 1.00 2.30 H new ATOM 0 HZ2 LYS A 22 -8.361 4.126 -0.275 1.00 2.30 H new ATOM 0 HZ3 LYS A 22 -8.915 2.529 -0.116 1.00 2.30 H new ATOM 371 N PHE A 23 -1.765 5.894 1.722 1.00 24.40 N ATOM 372 CA PHE A 23 -1.122 6.002 3.053 1.00 43.52 C ATOM 373 C PHE A 23 -1.499 7.334 3.745 1.00 52.23 C ATOM 374 O PHE A 23 -1.672 7.381 4.964 1.00 74.04 O ATOM 375 CB PHE A 23 0.420 5.881 2.881 1.00 44.44 C ATOM 376 CG PHE A 23 1.232 5.781 4.173 1.00 14.13 C ATOM 377 CD1 PHE A 23 1.203 4.617 4.940 1.00 2.05 C ATOM 378 CD2 PHE A 23 2.042 6.833 4.610 1.00 64.24 C ATOM 379 CE1 PHE A 23 1.942 4.505 6.099 1.00 41.42 C ATOM 380 CE2 PHE A 23 2.786 6.719 5.768 1.00 43.01 C ATOM 381 CZ PHE A 23 2.738 5.555 6.513 1.00 14.33 C ATOM 0 H PHE A 23 -1.091 5.842 0.958 1.00 24.40 H new ATOM 0 HA PHE A 23 -1.479 5.194 3.692 1.00 43.52 H new ATOM 0 HB2 PHE A 23 0.630 5.000 2.274 1.00 44.44 H new ATOM 0 HB3 PHE A 23 0.772 6.746 2.320 1.00 44.44 H new ATOM 0 HD1 PHE A 23 0.590 3.787 4.620 1.00 2.05 H new ATOM 0 HD2 PHE A 23 2.087 7.746 4.035 1.00 64.24 H new ATOM 0 HE1 PHE A 23 1.898 3.597 6.682 1.00 41.42 H new ATOM 0 HE2 PHE A 23 3.407 7.541 6.092 1.00 43.01 H new ATOM 0 HZ PHE A 23 3.322 5.467 7.417 1.00 14.33 H new ATOM 391 N SER A 24 -1.622 8.413 2.944 1.00 73.23 N ATOM 392 CA SER A 24 -2.053 9.746 3.428 1.00 34.43 C ATOM 393 C SER A 24 -3.491 9.720 3.978 1.00 32.10 C ATOM 394 O SER A 24 -3.758 10.274 5.050 1.00 2.01 O ATOM 395 CB SER A 24 -1.964 10.807 2.305 1.00 72.32 C ATOM 396 OG SER A 24 -0.634 10.983 1.865 1.00 75.22 O ATOM 0 H SER A 24 -1.426 8.387 1.943 1.00 73.23 H new ATOM 0 HA SER A 24 -1.372 10.014 4.236 1.00 34.43 H new ATOM 0 HB2 SER A 24 -2.589 10.503 1.465 1.00 72.32 H new ATOM 0 HB3 SER A 24 -2.357 11.757 2.668 1.00 72.32 H new ATOM 0 HG SER A 24 -0.320 10.160 1.435 1.00 75.22 H new ATOM 402 N HIS A 25 -4.414 9.058 3.250 1.00 13.03 N ATOM 403 CA HIS A 25 -5.844 9.016 3.634 1.00 43.14 C ATOM 404 C HIS A 25 -6.083 8.017 4.797 1.00 51.51 C ATOM 405 O HIS A 25 -6.975 8.224 5.620 1.00 11.31 O ATOM 406 CB HIS A 25 -6.715 8.645 2.408 1.00 31.03 C ATOM 407 CG HIS A 25 -6.555 9.577 1.228 1.00 0.31 C ATOM 408 ND1 HIS A 25 -6.868 10.916 1.273 1.00 74.43 N ATOM 409 CD2 HIS A 25 -6.104 9.356 -0.030 1.00 14.21 C ATOM 410 CE1 HIS A 25 -6.604 11.472 0.110 1.00 44.51 C ATOM 411 NE2 HIS A 25 -6.144 10.549 -0.696 1.00 5.34 N ATOM 0 H HIS A 25 -4.197 8.546 2.395 1.00 13.03 H new ATOM 0 HA HIS A 25 -6.133 10.007 3.983 1.00 43.14 H new ATOM 0 HB2 HIS A 25 -6.466 7.632 2.093 1.00 31.03 H new ATOM 0 HB3 HIS A 25 -7.762 8.636 2.710 1.00 31.03 H new ATOM 0 HD2 HIS A 25 -5.773 8.410 -0.433 1.00 14.21 H new ATOM 0 HE1 HIS A 25 -6.743 12.514 -0.138 1.00 44.51 H new ATOM 0 HE2 HIS A 25 -5.861 10.696 -1.665 1.00 5.34 H new ATOM 420 N GLN A 26 -5.278 6.936 4.847 1.00 64.02 N ATOM 421 CA GLN A 26 -5.347 5.915 5.920 1.00 74.22 C ATOM 422 C GLN A 26 -4.016 5.123 6.031 1.00 23.41 C ATOM 423 O GLN A 26 -3.424 4.711 5.029 1.00 41.24 O ATOM 424 CB GLN A 26 -6.551 4.951 5.694 1.00 72.11 C ATOM 425 CG GLN A 26 -6.494 4.149 4.379 1.00 64.21 C ATOM 426 CD GLN A 26 -7.737 3.290 4.141 1.00 14.41 C ATOM 427 OE1 GLN A 26 -8.699 3.730 3.532 1.00 55.24 O ATOM 428 NE2 GLN A 26 -7.719 2.065 4.607 1.00 4.33 N ATOM 0 H GLN A 26 -4.562 6.744 4.147 1.00 64.02 H new ATOM 0 HA GLN A 26 -5.503 6.436 6.865 1.00 74.22 H new ATOM 0 HB2 GLN A 26 -6.601 4.252 6.529 1.00 72.11 H new ATOM 0 HB3 GLN A 26 -7.473 5.533 5.710 1.00 72.11 H new ATOM 0 HG2 GLN A 26 -6.373 4.840 3.545 1.00 64.21 H new ATOM 0 HG3 GLN A 26 -5.614 3.507 4.391 1.00 64.21 H new ATOM 0 HE21 GLN A 26 -6.901 1.724 5.112 1.00 4.33 H new ATOM 0 HE22 GLN A 26 -8.523 1.453 4.464 1.00 4.33 H new ATOM 437 N LYS A 27 -3.566 4.919 7.274 1.00 45.35 N ATOM 438 CA LYS A 27 -2.318 4.186 7.594 1.00 74.42 C ATOM 439 C LYS A 27 -2.560 2.664 7.646 1.00 52.43 C ATOM 440 O LYS A 27 -1.666 1.864 7.341 1.00 51.33 O ATOM 441 CB LYS A 27 -1.785 4.686 8.962 1.00 64.10 C ATOM 442 CG LYS A 27 -1.488 6.204 9.003 1.00 32.41 C ATOM 443 CD LYS A 27 -0.410 6.633 7.978 1.00 15.23 C ATOM 444 CE LYS A 27 -0.223 8.159 7.903 1.00 73.31 C ATOM 445 NZ LYS A 27 -1.454 8.857 7.441 1.00 10.03 N ATOM 0 H LYS A 27 -4.057 5.259 8.101 1.00 45.35 H new ATOM 0 HA LYS A 27 -1.585 4.376 6.811 1.00 74.42 H new ATOM 0 HB2 LYS A 27 -2.516 4.448 9.735 1.00 64.10 H new ATOM 0 HB3 LYS A 27 -0.873 4.141 9.207 1.00 64.10 H new ATOM 0 HG2 LYS A 27 -2.408 6.755 8.808 1.00 32.41 H new ATOM 0 HG3 LYS A 27 -1.159 6.478 10.005 1.00 32.41 H new ATOM 0 HD2 LYS A 27 0.540 6.169 8.243 1.00 15.23 H new ATOM 0 HD3 LYS A 27 -0.684 6.257 6.992 1.00 15.23 H new ATOM 0 HE2 LYS A 27 0.059 8.537 8.886 1.00 73.31 H new ATOM 0 HE3 LYS A 27 0.599 8.389 7.225 1.00 73.31 H new ATOM 0 HZ1 LYS A 27 -1.238 9.858 7.260 1.00 10.03 H new ATOM 0 HZ2 LYS A 27 -1.797 8.413 6.565 1.00 10.03 H new ATOM 0 HZ3 LYS A 27 -2.188 8.788 8.174 1.00 10.03 H new ATOM 459 N TYR A 28 -3.777 2.286 8.067 1.00 30.25 N ATOM 460 CA TYR A 28 -4.200 0.877 8.205 1.00 42.40 C ATOM 461 C TYR A 28 -5.198 0.499 7.092 1.00 15.34 C ATOM 462 O TYR A 28 -6.248 1.134 6.958 1.00 72.33 O ATOM 463 CB TYR A 28 -4.853 0.659 9.594 1.00 53.20 C ATOM 464 CG TYR A 28 -3.926 0.983 10.778 1.00 61.40 C ATOM 465 CD1 TYR A 28 -2.995 0.051 11.235 1.00 1.45 C ATOM 466 CD2 TYR A 28 -3.979 2.223 11.430 1.00 53.14 C ATOM 467 CE1 TYR A 28 -2.159 0.339 12.293 1.00 22.31 C ATOM 468 CE2 TYR A 28 -3.143 2.514 12.487 1.00 43.24 C ATOM 469 CZ TYR A 28 -2.237 1.570 12.917 1.00 23.01 C ATOM 470 OH TYR A 28 -1.388 1.859 13.969 1.00 1.13 O ATOM 0 H TYR A 28 -4.504 2.953 8.324 1.00 30.25 H new ATOM 0 HA TYR A 28 -3.321 0.239 8.114 1.00 42.40 H new ATOM 0 HB2 TYR A 28 -5.747 1.279 9.665 1.00 53.20 H new ATOM 0 HB3 TYR A 28 -5.177 -0.379 9.673 1.00 53.20 H new ATOM 0 HD1 TYR A 28 -2.928 -0.913 10.752 1.00 1.45 H new ATOM 0 HD2 TYR A 28 -4.689 2.966 11.097 1.00 53.14 H new ATOM 0 HE1 TYR A 28 -1.445 -0.396 12.634 1.00 22.31 H new ATOM 0 HE2 TYR A 28 -3.198 3.476 12.975 1.00 43.24 H new ATOM 0 HH TYR A 28 -1.570 2.765 14.297 1.00 1.13 H new ATOM 480 N LEU A 29 -4.858 -0.522 6.288 1.00 55.02 N ATOM 481 CA LEU A 29 -5.776 -1.101 5.283 1.00 33.03 C ATOM 482 C LEU A 29 -6.497 -2.334 5.859 1.00 53.05 C ATOM 483 O LEU A 29 -5.880 -3.155 6.548 1.00 64.15 O ATOM 484 CB LEU A 29 -4.995 -1.517 4.010 1.00 51.12 C ATOM 485 CG LEU A 29 -4.204 -0.393 3.285 1.00 4.13 C ATOM 486 CD1 LEU A 29 -3.431 -0.960 2.082 1.00 54.30 C ATOM 487 CD2 LEU A 29 -5.133 0.760 2.864 1.00 31.21 C ATOM 0 H LEU A 29 -3.942 -0.971 6.313 1.00 55.02 H new ATOM 0 HA LEU A 29 -6.512 -0.341 5.022 1.00 33.03 H new ATOM 0 HB2 LEU A 29 -4.294 -2.306 4.282 1.00 51.12 H new ATOM 0 HB3 LEU A 29 -5.702 -1.948 3.301 1.00 51.12 H new ATOM 0 HG LEU A 29 -3.477 0.016 3.987 1.00 4.13 H new ATOM 0 HD11 LEU A 29 -2.884 -0.156 1.589 1.00 54.30 H new ATOM 0 HD12 LEU A 29 -2.728 -1.719 2.426 1.00 54.30 H new ATOM 0 HD13 LEU A 29 -4.132 -1.407 1.377 1.00 54.30 H new ATOM 0 HD21 LEU A 29 -4.551 1.531 2.359 1.00 31.21 H new ATOM 0 HD22 LEU A 29 -5.898 0.382 2.186 1.00 31.21 H new ATOM 0 HD23 LEU A 29 -5.609 1.185 3.748 1.00 31.21 H new ATOM 499 N SER A 30 -7.795 -2.464 5.561 1.00 12.11 N ATOM 500 CA SER A 30 -8.562 -3.696 5.847 1.00 1.30 C ATOM 501 C SER A 30 -8.248 -4.760 4.768 1.00 42.01 C ATOM 502 O SER A 30 -7.588 -4.453 3.774 1.00 72.01 O ATOM 503 CB SER A 30 -10.077 -3.389 5.883 1.00 4.04 C ATOM 504 OG SER A 30 -10.379 -2.423 6.877 1.00 3.35 O ATOM 0 H SER A 30 -8.346 -1.728 5.118 1.00 12.11 H new ATOM 0 HA SER A 30 -8.271 -4.083 6.823 1.00 1.30 H new ATOM 0 HB2 SER A 30 -10.401 -3.025 4.908 1.00 4.04 H new ATOM 0 HB3 SER A 30 -10.632 -4.306 6.082 1.00 4.04 H new ATOM 0 HG SER A 30 -11.343 -2.245 6.878 1.00 3.35 H new ATOM 510 N ALA A 31 -8.731 -5.997 4.968 1.00 44.11 N ATOM 511 CA ALA A 31 -8.509 -7.127 4.024 1.00 54.20 C ATOM 512 C ALA A 31 -9.002 -6.833 2.560 1.00 64.13 C ATOM 513 O ALA A 31 -8.246 -7.094 1.615 1.00 64.31 O ATOM 514 CB ALA A 31 -9.132 -8.423 4.591 1.00 15.51 C ATOM 0 H ALA A 31 -9.287 -6.251 5.785 1.00 44.11 H new ATOM 0 HA ALA A 31 -7.431 -7.261 3.937 1.00 54.20 H new ATOM 0 HB1 ALA A 31 -8.964 -9.243 3.893 1.00 15.51 H new ATOM 0 HB2 ALA A 31 -8.669 -8.661 5.549 1.00 15.51 H new ATOM 0 HB3 ALA A 31 -10.203 -8.280 4.732 1.00 15.51 H new ATOM 520 N PRO A 32 -10.256 -6.288 2.319 1.00 73.24 N ATOM 521 CA PRO A 32 -10.709 -5.959 0.937 1.00 31.50 C ATOM 522 C PRO A 32 -9.923 -4.778 0.303 1.00 73.40 C ATOM 523 O PRO A 32 -9.689 -4.767 -0.904 1.00 43.44 O ATOM 524 CB PRO A 32 -12.209 -5.600 1.131 1.00 43.44 C ATOM 525 CG PRO A 32 -12.303 -5.124 2.550 1.00 11.14 C ATOM 526 CD PRO A 32 -11.326 -5.977 3.320 1.00 72.31 C ATOM 0 HA PRO A 32 -10.542 -6.786 0.246 1.00 31.50 H new ATOM 0 HB2 PRO A 32 -12.525 -4.826 0.431 1.00 43.44 H new ATOM 0 HB3 PRO A 32 -12.849 -6.465 0.960 1.00 43.44 H new ATOM 0 HG2 PRO A 32 -12.049 -4.067 2.628 1.00 11.14 H new ATOM 0 HG3 PRO A 32 -13.315 -5.238 2.937 1.00 11.14 H new ATOM 0 HD2 PRO A 32 -10.924 -5.445 4.183 1.00 72.31 H new ATOM 0 HD3 PRO A 32 -11.798 -6.885 3.696 1.00 72.31 H new ATOM 534 N GLU A 33 -9.504 -3.808 1.140 1.00 42.43 N ATOM 535 CA GLU A 33 -8.816 -2.572 0.693 1.00 11.14 C ATOM 536 C GLU A 33 -7.360 -2.844 0.263 1.00 2.33 C ATOM 537 O GLU A 33 -6.891 -2.313 -0.746 1.00 33.15 O ATOM 538 CB GLU A 33 -8.828 -1.528 1.840 1.00 35.34 C ATOM 539 CG GLU A 33 -10.233 -1.216 2.394 1.00 41.23 C ATOM 540 CD GLU A 33 -10.227 -0.085 3.428 1.00 55.02 C ATOM 541 OE1 GLU A 33 -9.670 -0.278 4.525 1.00 62.22 O ATOM 542 OE2 GLU A 33 -10.777 0.999 3.152 1.00 10.23 O ATOM 0 H GLU A 33 -9.632 -3.857 2.151 1.00 42.43 H new ATOM 0 HA GLU A 33 -9.354 -2.189 -0.174 1.00 11.14 H new ATOM 0 HB2 GLU A 33 -8.201 -1.892 2.654 1.00 35.34 H new ATOM 0 HB3 GLU A 33 -8.378 -0.603 1.479 1.00 35.34 H new ATOM 0 HG2 GLU A 33 -10.892 -0.944 1.569 1.00 41.23 H new ATOM 0 HG3 GLU A 33 -10.647 -2.116 2.849 1.00 41.23 H new ATOM 549 N ARG A 34 -6.658 -3.665 1.064 1.00 60.13 N ATOM 550 CA ARG A 34 -5.262 -4.071 0.799 1.00 52.12 C ATOM 551 C ARG A 34 -5.175 -4.948 -0.469 1.00 74.24 C ATOM 552 O ARG A 34 -4.249 -4.805 -1.268 1.00 24.33 O ATOM 553 CB ARG A 34 -4.705 -4.836 2.026 1.00 15.05 C ATOM 554 CG ARG A 34 -3.217 -5.246 1.926 1.00 24.33 C ATOM 555 CD ARG A 34 -2.759 -6.066 3.146 1.00 30.52 C ATOM 556 NE ARG A 34 -3.608 -7.262 3.337 1.00 64.10 N ATOM 557 CZ ARG A 34 -4.139 -7.666 4.476 1.00 42.52 C ATOM 558 NH1 ARG A 34 -3.949 -7.012 5.585 1.00 73.33 N ATOM 559 NH2 ARG A 34 -4.885 -8.719 4.477 1.00 71.32 N ATOM 0 H ARG A 34 -7.043 -4.069 1.918 1.00 60.13 H new ATOM 0 HA ARG A 34 -4.661 -3.177 0.629 1.00 52.12 H new ATOM 0 HB2 ARG A 34 -4.835 -4.214 2.912 1.00 15.05 H new ATOM 0 HB3 ARG A 34 -5.304 -5.734 2.176 1.00 15.05 H new ATOM 0 HG2 ARG A 34 -3.062 -5.830 1.019 1.00 24.33 H new ATOM 0 HG3 ARG A 34 -2.600 -4.352 1.839 1.00 24.33 H new ATOM 0 HD2 ARG A 34 -1.721 -6.371 3.013 1.00 30.52 H new ATOM 0 HD3 ARG A 34 -2.796 -5.444 4.040 1.00 30.52 H new ATOM 0 HE ARG A 34 -3.801 -7.828 2.511 1.00 64.10 H new ATOM 0 HH11 ARG A 34 -3.379 -6.166 5.587 1.00 73.33 H new ATOM 0 HH12 ARG A 34 -4.370 -7.345 6.452 1.00 73.33 H new ATOM 0 HH21 ARG A 34 -5.056 -9.224 3.607 1.00 71.32 H new ATOM 0 HH22 ARG A 34 -5.304 -9.046 5.347 1.00 71.32 H new ATOM 573 N ALA A 35 -6.163 -5.853 -0.625 1.00 51.03 N ATOM 574 CA ALA A 35 -6.304 -6.703 -1.824 1.00 4.53 C ATOM 575 C ALA A 35 -6.617 -5.863 -3.085 1.00 2.21 C ATOM 576 O ALA A 35 -6.023 -6.079 -4.143 1.00 15.10 O ATOM 577 CB ALA A 35 -7.397 -7.762 -1.592 1.00 53.34 C ATOM 0 H ALA A 35 -6.885 -6.015 0.077 1.00 51.03 H new ATOM 0 HA ALA A 35 -5.352 -7.205 -1.996 1.00 4.53 H new ATOM 0 HB1 ALA A 35 -7.495 -8.385 -2.481 1.00 53.34 H new ATOM 0 HB2 ALA A 35 -7.125 -8.385 -0.740 1.00 53.34 H new ATOM 0 HB3 ALA A 35 -8.347 -7.267 -1.390 1.00 53.34 H new ATOM 583 N HIS A 36 -7.540 -4.894 -2.951 1.00 21.13 N ATOM 584 CA HIS A 36 -7.968 -4.024 -4.070 1.00 24.30 C ATOM 585 C HIS A 36 -6.805 -3.118 -4.553 1.00 35.44 C ATOM 586 O HIS A 36 -6.601 -2.951 -5.756 1.00 1.31 O ATOM 587 CB HIS A 36 -9.193 -3.175 -3.643 1.00 34.54 C ATOM 588 CG HIS A 36 -9.863 -2.443 -4.778 1.00 53.14 C ATOM 589 ND1 HIS A 36 -10.846 -3.008 -5.558 1.00 35.44 N ATOM 590 CD2 HIS A 36 -9.685 -1.189 -5.263 1.00 24.12 C ATOM 591 CE1 HIS A 36 -11.238 -2.147 -6.469 1.00 73.23 C ATOM 592 NE2 HIS A 36 -10.552 -1.037 -6.315 1.00 2.21 N ATOM 0 H HIS A 36 -8.011 -4.689 -2.070 1.00 21.13 H new ATOM 0 HA HIS A 36 -8.258 -4.658 -4.908 1.00 24.30 H new ATOM 0 HB2 HIS A 36 -9.924 -3.827 -3.164 1.00 34.54 H new ATOM 0 HB3 HIS A 36 -8.875 -2.449 -2.895 1.00 34.54 H new ATOM 0 HD2 HIS A 36 -8.991 -0.449 -4.891 1.00 24.12 H new ATOM 0 HE1 HIS A 36 -11.996 -2.322 -7.218 1.00 73.23 H new ATOM 0 HE2 HIS A 36 -10.649 -0.197 -6.886 1.00 2.21 H new ATOM 601 N LEU A 37 -6.051 -2.554 -3.597 1.00 71.43 N ATOM 602 CA LEU A 37 -4.862 -1.718 -3.879 1.00 35.40 C ATOM 603 C LEU A 37 -3.736 -2.561 -4.533 1.00 41.34 C ATOM 604 O LEU A 37 -3.096 -2.121 -5.499 1.00 75.53 O ATOM 605 CB LEU A 37 -4.365 -1.061 -2.561 1.00 24.05 C ATOM 606 CG LEU A 37 -3.110 -0.129 -2.660 1.00 65.13 C ATOM 607 CD1 LEU A 37 -3.350 1.070 -3.606 1.00 42.11 C ATOM 608 CD2 LEU A 37 -2.666 0.348 -1.260 1.00 21.21 C ATOM 0 H LEU A 37 -6.245 -2.662 -2.601 1.00 71.43 H new ATOM 0 HA LEU A 37 -5.139 -0.934 -4.584 1.00 35.40 H new ATOM 0 HB2 LEU A 37 -5.186 -0.480 -2.142 1.00 24.05 H new ATOM 0 HB3 LEU A 37 -4.141 -1.856 -1.850 1.00 24.05 H new ATOM 0 HG LEU A 37 -2.302 -0.720 -3.092 1.00 65.13 H new ATOM 0 HD11 LEU A 37 -2.453 1.689 -3.644 1.00 42.11 H new ATOM 0 HD12 LEU A 37 -3.581 0.704 -4.606 1.00 42.11 H new ATOM 0 HD13 LEU A 37 -4.186 1.664 -3.236 1.00 42.11 H new ATOM 0 HD21 LEU A 37 -1.793 0.994 -1.356 1.00 21.21 H new ATOM 0 HD22 LEU A 37 -3.478 0.903 -0.790 1.00 21.21 H new ATOM 0 HD23 LEU A 37 -2.413 -0.515 -0.645 1.00 21.21 H new ATOM 620 N ALA A 38 -3.524 -3.780 -3.990 1.00 4.32 N ATOM 621 CA ALA A 38 -2.518 -4.738 -4.495 1.00 21.22 C ATOM 622 C ALA A 38 -2.746 -5.097 -5.981 1.00 40.13 C ATOM 623 O ALA A 38 -1.865 -4.892 -6.807 1.00 23.22 O ATOM 624 CB ALA A 38 -2.508 -6.008 -3.626 1.00 33.41 C ATOM 0 H ALA A 38 -4.048 -4.127 -3.187 1.00 4.32 H new ATOM 0 HA ALA A 38 -1.544 -4.253 -4.430 1.00 21.22 H new ATOM 0 HB1 ALA A 38 -1.763 -6.705 -4.009 1.00 33.41 H new ATOM 0 HB2 ALA A 38 -2.263 -5.743 -2.598 1.00 33.41 H new ATOM 0 HB3 ALA A 38 -3.492 -6.477 -3.655 1.00 33.41 H new ATOM 630 N LYS A 39 -3.957 -5.586 -6.313 1.00 14.30 N ATOM 631 CA LYS A 39 -4.280 -6.082 -7.675 1.00 51.04 C ATOM 632 C LYS A 39 -4.236 -4.954 -8.745 1.00 20.12 C ATOM 633 O LYS A 39 -3.805 -5.193 -9.880 1.00 73.25 O ATOM 634 CB LYS A 39 -5.660 -6.792 -7.674 1.00 73.55 C ATOM 635 CG LYS A 39 -6.878 -5.888 -7.376 1.00 15.54 C ATOM 636 CD LYS A 39 -8.218 -6.657 -7.214 1.00 10.13 C ATOM 637 CE LYS A 39 -8.728 -7.347 -8.504 1.00 33.32 C ATOM 638 NZ LYS A 39 -7.915 -8.529 -8.917 1.00 3.14 N ATOM 0 H LYS A 39 -4.735 -5.650 -5.656 1.00 14.30 H new ATOM 0 HA LYS A 39 -3.510 -6.802 -7.950 1.00 51.04 H new ATOM 0 HB2 LYS A 39 -5.808 -7.261 -8.647 1.00 73.55 H new ATOM 0 HB3 LYS A 39 -5.636 -7.593 -6.935 1.00 73.55 H new ATOM 0 HG2 LYS A 39 -6.683 -5.324 -6.464 1.00 15.54 H new ATOM 0 HG3 LYS A 39 -6.984 -5.163 -8.183 1.00 15.54 H new ATOM 0 HD2 LYS A 39 -8.096 -7.413 -6.438 1.00 10.13 H new ATOM 0 HD3 LYS A 39 -8.981 -5.961 -6.864 1.00 10.13 H new ATOM 0 HE2 LYS A 39 -9.760 -7.663 -8.352 1.00 33.32 H new ATOM 0 HE3 LYS A 39 -8.733 -6.620 -9.316 1.00 33.32 H new ATOM 0 HZ1 LYS A 39 -8.548 -9.306 -9.194 1.00 3.14 H new ATOM 0 HZ2 LYS A 39 -7.311 -8.270 -9.723 1.00 3.14 H new ATOM 0 HZ3 LYS A 39 -7.319 -8.835 -8.122 1.00 3.14 H new ATOM 652 N ASN A 40 -4.668 -3.730 -8.366 1.00 22.20 N ATOM 653 CA ASN A 40 -4.598 -2.531 -9.244 1.00 11.44 C ATOM 654 C ASN A 40 -3.136 -2.144 -9.587 1.00 34.40 C ATOM 655 O ASN A 40 -2.852 -1.691 -10.707 1.00 52.30 O ATOM 656 CB ASN A 40 -5.341 -1.326 -8.594 1.00 41.22 C ATOM 657 CG ASN A 40 -6.866 -1.502 -8.552 1.00 43.30 C ATOM 658 OD1 ASN A 40 -7.378 -2.611 -8.487 1.00 2.04 O ATOM 659 ND2 ASN A 40 -7.601 -0.409 -8.581 1.00 74.51 N ATOM 0 H ASN A 40 -5.073 -3.542 -7.449 1.00 22.20 H new ATOM 0 HA ASN A 40 -5.096 -2.789 -10.179 1.00 11.44 H new ATOM 0 HB2 ASN A 40 -4.971 -1.185 -7.579 1.00 41.22 H new ATOM 0 HB3 ASN A 40 -5.102 -0.419 -9.149 1.00 41.22 H new ATOM 0 HD21 ASN A 40 -8.618 -0.477 -8.549 1.00 74.51 H new ATOM 0 HD22 ASN A 40 -7.153 0.506 -8.635 1.00 74.51 H new ATOM 666 N LEU A 41 -2.221 -2.344 -8.621 1.00 35.40 N ATOM 667 CA LEU A 41 -0.768 -2.076 -8.795 1.00 14.40 C ATOM 668 C LEU A 41 0.020 -3.380 -9.118 1.00 52.00 C ATOM 669 O LEU A 41 1.246 -3.367 -9.135 1.00 14.51 O ATOM 670 CB LEU A 41 -0.208 -1.394 -7.513 1.00 44.31 C ATOM 671 CG LEU A 41 -0.868 -0.031 -7.116 1.00 61.21 C ATOM 672 CD1 LEU A 41 -0.243 0.543 -5.829 1.00 33.22 C ATOM 673 CD2 LEU A 41 -0.801 0.994 -8.273 1.00 62.44 C ATOM 0 H LEU A 41 -2.461 -2.696 -7.694 1.00 35.40 H new ATOM 0 HA LEU A 41 -0.640 -1.405 -9.644 1.00 14.40 H new ATOM 0 HB2 LEU A 41 -0.321 -2.086 -6.679 1.00 44.31 H new ATOM 0 HB3 LEU A 41 0.861 -1.231 -7.650 1.00 44.31 H new ATOM 0 HG LEU A 41 -1.921 -0.230 -6.915 1.00 61.21 H new ATOM 0 HD11 LEU A 41 -0.724 1.489 -5.582 1.00 33.22 H new ATOM 0 HD12 LEU A 41 -0.386 -0.162 -5.010 1.00 33.22 H new ATOM 0 HD13 LEU A 41 0.823 0.708 -5.984 1.00 33.22 H new ATOM 0 HD21 LEU A 41 -1.269 1.927 -7.960 1.00 62.44 H new ATOM 0 HD22 LEU A 41 0.241 1.180 -8.534 1.00 62.44 H new ATOM 0 HD23 LEU A 41 -1.328 0.598 -9.141 1.00 62.44 H new ATOM 685 N LYS A 42 -0.705 -4.493 -9.401 1.00 24.25 N ATOM 686 CA LYS A 42 -0.125 -5.832 -9.728 1.00 52.34 C ATOM 687 C LYS A 42 0.760 -6.426 -8.581 1.00 34.43 C ATOM 688 O LYS A 42 1.463 -7.425 -8.781 1.00 34.15 O ATOM 689 CB LYS A 42 0.650 -5.803 -11.090 1.00 44.21 C ATOM 690 CG LYS A 42 -0.220 -5.519 -12.352 1.00 41.34 C ATOM 691 CD LYS A 42 -0.717 -4.053 -12.457 1.00 24.12 C ATOM 692 CE LYS A 42 -1.560 -3.776 -13.706 1.00 54.43 C ATOM 693 NZ LYS A 42 -2.037 -2.366 -13.743 1.00 74.31 N ATOM 0 H LYS A 42 -1.725 -4.490 -9.410 1.00 24.25 H new ATOM 0 HA LYS A 42 -0.974 -6.508 -9.832 1.00 52.34 H new ATOM 0 HB2 LYS A 42 1.429 -5.043 -11.029 1.00 44.21 H new ATOM 0 HB3 LYS A 42 1.150 -6.762 -11.224 1.00 44.21 H new ATOM 0 HG2 LYS A 42 0.360 -5.760 -13.243 1.00 41.34 H new ATOM 0 HG3 LYS A 42 -1.083 -6.185 -12.344 1.00 41.34 H new ATOM 0 HD2 LYS A 42 -1.306 -3.814 -11.572 1.00 24.12 H new ATOM 0 HD3 LYS A 42 0.145 -3.386 -12.456 1.00 24.12 H new ATOM 0 HE2 LYS A 42 -0.969 -3.985 -14.598 1.00 54.43 H new ATOM 0 HE3 LYS A 42 -2.416 -4.451 -13.725 1.00 54.43 H new ATOM 0 HZ1 LYS A 42 -2.853 -2.292 -14.383 1.00 74.31 H new ATOM 0 HZ2 LYS A 42 -2.319 -2.070 -12.787 1.00 74.31 H new ATOM 0 HZ3 LYS A 42 -1.272 -1.750 -14.085 1.00 74.31 H new ATOM 707 N LEU A 43 0.679 -5.826 -7.377 1.00 4.15 N ATOM 708 CA LEU A 43 1.413 -6.266 -6.171 1.00 20.14 C ATOM 709 C LEU A 43 0.658 -7.386 -5.421 1.00 42.34 C ATOM 710 O LEU A 43 -0.447 -7.779 -5.806 1.00 52.32 O ATOM 711 CB LEU A 43 1.641 -5.060 -5.218 1.00 62.53 C ATOM 712 CG LEU A 43 2.544 -3.914 -5.758 1.00 14.04 C ATOM 713 CD1 LEU A 43 2.625 -2.747 -4.748 1.00 70.13 C ATOM 714 CD2 LEU A 43 3.952 -4.441 -6.128 1.00 71.35 C ATOM 0 H LEU A 43 0.092 -5.008 -7.211 1.00 4.15 H new ATOM 0 HA LEU A 43 2.374 -6.666 -6.496 1.00 20.14 H new ATOM 0 HB2 LEU A 43 0.669 -4.638 -4.962 1.00 62.53 H new ATOM 0 HB3 LEU A 43 2.080 -5.434 -4.293 1.00 62.53 H new ATOM 0 HG LEU A 43 2.087 -3.529 -6.670 1.00 14.04 H new ATOM 0 HD11 LEU A 43 3.263 -1.960 -5.151 1.00 70.13 H new ATOM 0 HD12 LEU A 43 1.626 -2.349 -4.571 1.00 70.13 H new ATOM 0 HD13 LEU A 43 3.044 -3.107 -3.808 1.00 70.13 H new ATOM 0 HD21 LEU A 43 4.561 -3.619 -6.502 1.00 71.35 H new ATOM 0 HD22 LEU A 43 4.424 -4.869 -5.244 1.00 71.35 H new ATOM 0 HD23 LEU A 43 3.863 -5.207 -6.899 1.00 71.35 H new ATOM 726 N THR A 44 1.271 -7.880 -4.337 1.00 44.21 N ATOM 727 CA THR A 44 0.640 -8.846 -3.406 1.00 55.42 C ATOM 728 C THR A 44 0.292 -8.139 -2.087 1.00 22.01 C ATOM 729 O THR A 44 0.900 -7.118 -1.749 1.00 43.42 O ATOM 730 CB THR A 44 1.577 -10.058 -3.095 1.00 34.10 C ATOM 731 OG1 THR A 44 2.759 -9.611 -2.401 1.00 13.30 O ATOM 732 CG2 THR A 44 1.981 -10.806 -4.375 1.00 73.13 C ATOM 0 H THR A 44 2.223 -7.624 -4.074 1.00 44.21 H new ATOM 0 HA THR A 44 -0.260 -9.225 -3.890 1.00 55.42 H new ATOM 0 HB THR A 44 1.020 -10.748 -2.461 1.00 34.10 H new ATOM 0 HG1 THR A 44 3.337 -10.379 -2.210 1.00 13.30 H new ATOM 0 HG21 THR A 44 2.632 -11.642 -4.118 1.00 73.13 H new ATOM 0 HG22 THR A 44 1.088 -11.182 -4.874 1.00 73.13 H new ATOM 0 HG23 THR A 44 2.510 -10.126 -5.042 1.00 73.13 H new ATOM 740 N GLU A 45 -0.682 -8.697 -1.343 1.00 62.33 N ATOM 741 CA GLU A 45 -1.060 -8.201 0.007 1.00 52.14 C ATOM 742 C GLU A 45 0.130 -8.214 0.994 1.00 2.40 C ATOM 743 O GLU A 45 0.179 -7.396 1.918 1.00 64.11 O ATOM 744 CB GLU A 45 -2.226 -9.031 0.594 1.00 42.40 C ATOM 745 CG GLU A 45 -3.546 -8.917 -0.189 1.00 73.22 C ATOM 746 CD GLU A 45 -4.710 -9.603 0.537 1.00 12.33 C ATOM 747 OE1 GLU A 45 -5.318 -8.966 1.426 1.00 45.40 O ATOM 748 OE2 GLU A 45 -5.006 -10.787 0.249 1.00 3.43 O ATOM 0 H GLU A 45 -1.230 -9.500 -1.653 1.00 62.33 H new ATOM 0 HA GLU A 45 -1.378 -7.167 -0.123 1.00 52.14 H new ATOM 0 HB2 GLU A 45 -1.928 -10.079 0.629 1.00 42.40 H new ATOM 0 HB3 GLU A 45 -2.399 -8.714 1.622 1.00 42.40 H new ATOM 0 HG2 GLU A 45 -3.785 -7.865 -0.343 1.00 73.22 H new ATOM 0 HG3 GLU A 45 -3.421 -9.364 -1.175 1.00 73.22 H new ATOM 755 N THR A 46 1.074 -9.156 0.787 1.00 2.24 N ATOM 756 CA THR A 46 2.331 -9.224 1.556 1.00 51.50 C ATOM 757 C THR A 46 3.182 -7.966 1.309 1.00 63.43 C ATOM 758 O THR A 46 3.509 -7.251 2.249 1.00 11.00 O ATOM 759 CB THR A 46 3.160 -10.505 1.181 1.00 44.11 C ATOM 760 OG1 THR A 46 2.383 -11.685 1.455 1.00 44.25 O ATOM 761 CG2 THR A 46 4.493 -10.594 1.952 1.00 51.31 C ATOM 0 H THR A 46 0.985 -9.889 0.083 1.00 2.24 H new ATOM 0 HA THR A 46 2.069 -9.280 2.613 1.00 51.50 H new ATOM 0 HB THR A 46 3.393 -10.434 0.118 1.00 44.11 H new ATOM 0 HG1 THR A 46 2.903 -12.481 1.218 1.00 44.25 H new ATOM 0 HG21 THR A 46 5.026 -11.497 1.655 1.00 51.31 H new ATOM 0 HG22 THR A 46 5.104 -9.721 1.724 1.00 51.31 H new ATOM 0 HG23 THR A 46 4.292 -10.627 3.023 1.00 51.31 H new ATOM 769 N GLN A 47 3.495 -7.696 0.024 1.00 41.45 N ATOM 770 CA GLN A 47 4.370 -6.573 -0.385 1.00 52.31 C ATOM 771 C GLN A 47 3.786 -5.196 -0.006 1.00 33.40 C ATOM 772 O GLN A 47 4.515 -4.337 0.490 1.00 63.04 O ATOM 773 CB GLN A 47 4.658 -6.639 -1.907 1.00 74.45 C ATOM 774 CG GLN A 47 5.554 -7.821 -2.331 1.00 13.00 C ATOM 775 CD GLN A 47 5.867 -7.870 -3.833 1.00 53.44 C ATOM 776 OE1 GLN A 47 5.982 -6.722 -4.480 1.00 64.03 O flip ATOM 777 NE2 GLN A 47 6.048 -8.941 -4.402 1.00 3.13 N flip ATOM 0 H GLN A 47 3.149 -8.249 -0.760 1.00 41.45 H new ATOM 0 HA GLN A 47 5.305 -6.682 0.164 1.00 52.31 H new ATOM 0 HB2 GLN A 47 3.711 -6.706 -2.442 1.00 74.45 H new ATOM 0 HB3 GLN A 47 5.134 -5.708 -2.216 1.00 74.45 H new ATOM 0 HG2 GLN A 47 6.492 -7.767 -1.778 1.00 13.00 H new ATOM 0 HG3 GLN A 47 5.067 -8.753 -2.043 1.00 13.00 H new ATOM 0 HE21 GLN A 47 5.954 -9.815 -3.885 1.00 3.13 H new ATOM 0 HE22 GLN A 47 6.292 -8.958 -5.392 1.00 3.13 H new ATOM 786 N VAL A 48 2.476 -4.994 -0.252 1.00 34.01 N ATOM 787 CA VAL A 48 1.759 -3.758 0.148 1.00 61.04 C ATOM 788 C VAL A 48 1.844 -3.538 1.685 1.00 34.04 C ATOM 789 O VAL A 48 2.103 -2.425 2.142 1.00 31.55 O ATOM 790 CB VAL A 48 0.254 -3.789 -0.331 1.00 61.14 C ATOM 791 CG1 VAL A 48 -0.551 -2.564 0.173 1.00 40.04 C ATOM 792 CG2 VAL A 48 0.177 -3.888 -1.875 1.00 62.40 C ATOM 0 H VAL A 48 1.886 -5.675 -0.730 1.00 34.01 H new ATOM 0 HA VAL A 48 2.249 -2.918 -0.343 1.00 61.04 H new ATOM 0 HB VAL A 48 -0.202 -4.677 0.107 1.00 61.14 H new ATOM 0 HG11 VAL A 48 -1.579 -2.633 -0.183 1.00 40.04 H new ATOM 0 HG12 VAL A 48 -0.545 -2.548 1.263 1.00 40.04 H new ATOM 0 HG13 VAL A 48 -0.096 -1.649 -0.206 1.00 40.04 H new ATOM 0 HG21 VAL A 48 -0.867 -3.908 -2.187 1.00 62.40 H new ATOM 0 HG22 VAL A 48 0.672 -3.025 -2.320 1.00 62.40 H new ATOM 0 HG23 VAL A 48 0.672 -4.801 -2.206 1.00 62.40 H new ATOM 802 N LYS A 49 1.664 -4.630 2.458 1.00 1.34 N ATOM 803 CA LYS A 49 1.802 -4.608 3.934 1.00 64.53 C ATOM 804 C LYS A 49 3.256 -4.272 4.372 1.00 45.42 C ATOM 805 O LYS A 49 3.455 -3.551 5.355 1.00 4.52 O ATOM 806 CB LYS A 49 1.359 -5.967 4.533 1.00 74.25 C ATOM 807 CG LYS A 49 1.483 -6.075 6.071 1.00 4.41 C ATOM 808 CD LYS A 49 1.007 -7.440 6.617 1.00 11.35 C ATOM 809 CE LYS A 49 1.798 -8.632 6.050 1.00 21.52 C ATOM 810 NZ LYS A 49 1.306 -9.926 6.591 1.00 31.43 N ATOM 0 H LYS A 49 1.421 -5.546 2.082 1.00 1.34 H new ATOM 0 HA LYS A 49 1.153 -3.820 4.316 1.00 64.53 H new ATOM 0 HB2 LYS A 49 0.321 -6.149 4.254 1.00 74.25 H new ATOM 0 HB3 LYS A 49 1.955 -6.759 4.079 1.00 74.25 H new ATOM 0 HG2 LYS A 49 2.522 -5.916 6.359 1.00 4.41 H new ATOM 0 HG3 LYS A 49 0.899 -5.280 6.535 1.00 4.41 H new ATOM 0 HD2 LYS A 49 1.094 -7.439 7.704 1.00 11.35 H new ATOM 0 HD3 LYS A 49 -0.049 -7.569 6.382 1.00 11.35 H new ATOM 0 HE2 LYS A 49 1.718 -8.638 4.963 1.00 21.52 H new ATOM 0 HE3 LYS A 49 2.855 -8.515 6.291 1.00 21.52 H new ATOM 0 HZ1 LYS A 49 1.863 -10.706 6.186 1.00 31.43 H new ATOM 0 HZ2 LYS A 49 1.406 -9.930 7.626 1.00 31.43 H new ATOM 0 HZ3 LYS A 49 0.304 -10.049 6.340 1.00 31.43 H new ATOM 824 N ILE A 50 4.260 -4.804 3.634 1.00 53.33 N ATOM 825 CA ILE A 50 5.693 -4.524 3.887 1.00 74.33 C ATOM 826 C ILE A 50 5.999 -3.025 3.673 1.00 20.14 C ATOM 827 O ILE A 50 6.628 -2.395 4.523 1.00 60.23 O ATOM 828 CB ILE A 50 6.638 -5.393 2.963 1.00 52.20 C ATOM 829 CG1 ILE A 50 6.485 -6.918 3.276 1.00 53.33 C ATOM 830 CG2 ILE A 50 8.126 -4.954 3.088 1.00 5.33 C ATOM 831 CD1 ILE A 50 7.208 -7.840 2.301 1.00 41.44 C ATOM 0 H ILE A 50 4.100 -5.437 2.850 1.00 53.33 H new ATOM 0 HA ILE A 50 5.892 -4.793 4.924 1.00 74.33 H new ATOM 0 HB ILE A 50 6.327 -5.222 1.932 1.00 52.20 H new ATOM 0 HG12 ILE A 50 6.859 -7.109 4.282 1.00 53.33 H new ATOM 0 HG13 ILE A 50 5.425 -7.171 3.277 1.00 53.33 H new ATOM 0 HG21 ILE A 50 8.744 -5.574 2.439 1.00 5.33 H new ATOM 0 HG22 ILE A 50 8.223 -3.909 2.792 1.00 5.33 H new ATOM 0 HG23 ILE A 50 8.454 -5.071 4.121 1.00 5.33 H new ATOM 0 HD11 ILE A 50 7.048 -8.877 2.594 1.00 41.44 H new ATOM 0 HD12 ILE A 50 6.819 -7.683 1.295 1.00 41.44 H new ATOM 0 HD13 ILE A 50 8.275 -7.620 2.315 1.00 41.44 H new ATOM 843 N TRP A 51 5.540 -2.469 2.531 1.00 4.32 N ATOM 844 CA TRP A 51 5.738 -1.044 2.190 1.00 22.41 C ATOM 845 C TRP A 51 5.126 -0.140 3.273 1.00 22.45 C ATOM 846 O TRP A 51 5.795 0.763 3.759 1.00 70.14 O ATOM 847 CB TRP A 51 5.119 -0.713 0.800 1.00 23.44 C ATOM 848 CG TRP A 51 5.350 0.725 0.338 1.00 33.04 C ATOM 849 CD1 TRP A 51 6.376 1.201 -0.434 1.00 74.03 C ATOM 850 CD2 TRP A 51 4.541 1.868 0.645 1.00 20.24 C ATOM 851 NE1 TRP A 51 6.237 2.546 -0.632 1.00 1.34 N ATOM 852 CE2 TRP A 51 5.122 2.973 0.021 1.00 21.32 C ATOM 853 CE3 TRP A 51 3.377 2.051 1.386 1.00 70.10 C ATOM 854 CZ2 TRP A 51 4.581 4.241 0.121 1.00 63.31 C ATOM 855 CZ3 TRP A 51 2.842 3.307 1.494 1.00 71.33 C ATOM 856 CH2 TRP A 51 3.444 4.392 0.864 1.00 63.32 C ATOM 0 H TRP A 51 5.025 -2.992 1.823 1.00 4.32 H new ATOM 0 HA TRP A 51 6.810 -0.856 2.141 1.00 22.41 H new ATOM 0 HB2 TRP A 51 5.537 -1.393 0.058 1.00 23.44 H new ATOM 0 HB3 TRP A 51 4.046 -0.903 0.838 1.00 23.44 H new ATOM 0 HD1 TRP A 51 7.181 0.599 -0.830 1.00 74.03 H new ATOM 0 HE1 TRP A 51 6.866 3.134 -1.179 1.00 1.34 H new ATOM 0 HE3 TRP A 51 2.901 1.211 1.871 1.00 70.10 H new ATOM 0 HZ2 TRP A 51 5.042 5.084 -0.372 1.00 63.31 H new ATOM 0 HZ3 TRP A 51 1.943 3.457 2.074 1.00 71.33 H new ATOM 0 HH2 TRP A 51 3.004 5.373 0.964 1.00 63.32 H new ATOM 867 N PHE A 52 3.840 -0.392 3.614 1.00 22.01 N ATOM 868 CA PHE A 52 3.119 0.332 4.688 1.00 50.44 C ATOM 869 C PHE A 52 3.861 0.246 6.043 1.00 20.33 C ATOM 870 O PHE A 52 3.979 1.248 6.736 1.00 30.42 O ATOM 871 CB PHE A 52 1.645 -0.178 4.815 1.00 21.13 C ATOM 872 CG PHE A 52 0.646 0.538 3.884 1.00 44.44 C ATOM 873 CD1 PHE A 52 0.648 0.322 2.507 1.00 64.11 C ATOM 874 CD2 PHE A 52 -0.288 1.446 4.396 1.00 33.43 C ATOM 875 CE1 PHE A 52 -0.237 0.987 1.675 1.00 53.44 C ATOM 876 CE2 PHE A 52 -1.176 2.108 3.563 1.00 63.43 C ATOM 877 CZ PHE A 52 -1.149 1.880 2.204 1.00 22.14 C ATOM 0 H PHE A 52 3.273 -1.103 3.152 1.00 22.01 H new ATOM 0 HA PHE A 52 3.090 1.385 4.407 1.00 50.44 H new ATOM 0 HB2 PHE A 52 1.622 -1.246 4.601 1.00 21.13 H new ATOM 0 HB3 PHE A 52 1.317 -0.053 5.847 1.00 21.13 H new ATOM 0 HD1 PHE A 52 1.353 -0.377 2.081 1.00 64.11 H new ATOM 0 HD2 PHE A 52 -0.317 1.634 5.459 1.00 33.43 H new ATOM 0 HE1 PHE A 52 -0.214 0.807 0.610 1.00 53.44 H new ATOM 0 HE2 PHE A 52 -1.890 2.803 3.979 1.00 63.43 H new ATOM 0 HZ PHE A 52 -1.839 2.398 1.554 1.00 22.14 H new ATOM 887 N GLN A 53 4.386 -0.948 6.381 1.00 23.31 N ATOM 888 CA GLN A 53 5.128 -1.194 7.644 1.00 64.41 C ATOM 889 C GLN A 53 6.442 -0.377 7.711 1.00 41.51 C ATOM 890 O GLN A 53 6.718 0.288 8.716 1.00 73.12 O ATOM 891 CB GLN A 53 5.422 -2.711 7.794 1.00 10.40 C ATOM 892 CG GLN A 53 6.182 -3.125 9.080 1.00 64.10 C ATOM 893 CD GLN A 53 5.449 -2.833 10.399 1.00 4.54 C ATOM 894 OE1 GLN A 53 6.077 -2.598 11.424 1.00 43.12 O ATOM 895 NE2 GLN A 53 4.131 -2.871 10.404 1.00 5.30 N ATOM 0 H GLN A 53 4.310 -1.774 5.788 1.00 23.31 H new ATOM 0 HA GLN A 53 4.501 -0.863 8.472 1.00 64.41 H new ATOM 0 HB2 GLN A 53 4.475 -3.250 7.764 1.00 10.40 H new ATOM 0 HB3 GLN A 53 6.002 -3.037 6.931 1.00 10.40 H new ATOM 0 HG2 GLN A 53 6.393 -4.193 9.030 1.00 64.10 H new ATOM 0 HG3 GLN A 53 7.143 -2.611 9.096 1.00 64.10 H new ATOM 0 HE21 GLN A 53 3.623 -3.068 9.542 1.00 5.30 H new ATOM 0 HE22 GLN A 53 3.619 -2.703 11.270 1.00 5.30 H new ATOM 904 N ASN A 54 7.242 -0.439 6.628 1.00 5.24 N ATOM 905 CA ASN A 54 8.477 0.366 6.479 1.00 52.45 C ATOM 906 C ASN A 54 8.154 1.879 6.490 1.00 0.03 C ATOM 907 O ASN A 54 8.855 2.664 7.115 1.00 65.22 O ATOM 908 CB ASN A 54 9.234 -0.035 5.179 1.00 1.34 C ATOM 909 CG ASN A 54 10.076 -1.307 5.338 1.00 51.13 C ATOM 910 OD1 ASN A 54 11.266 -1.239 5.598 1.00 64.11 O ATOM 911 ND2 ASN A 54 9.474 -2.468 5.204 1.00 33.30 N ATOM 0 H ASN A 54 7.053 -1.047 5.831 1.00 5.24 H new ATOM 0 HA ASN A 54 9.127 0.159 7.329 1.00 52.45 H new ATOM 0 HB2 ASN A 54 8.511 -0.183 4.377 1.00 1.34 H new ATOM 0 HB3 ASN A 54 9.883 0.787 4.876 1.00 1.34 H new ATOM 0 HD21 ASN A 54 10.003 -3.333 5.318 1.00 33.30 H new ATOM 0 HD22 ASN A 54 8.478 -2.504 4.986 1.00 33.30 H new ATOM 918 N ARG A 55 7.064 2.259 5.821 1.00 64.41 N ATOM 919 CA ARG A 55 6.590 3.659 5.756 1.00 33.34 C ATOM 920 C ARG A 55 6.178 4.185 7.151 1.00 41.42 C ATOM 921 O ARG A 55 6.396 5.350 7.469 1.00 31.30 O ATOM 922 CB ARG A 55 5.413 3.774 4.733 1.00 71.33 C ATOM 923 CG ARG A 55 5.604 4.876 3.687 1.00 61.02 C ATOM 924 CD ARG A 55 6.828 4.625 2.778 1.00 75.30 C ATOM 925 NE ARG A 55 7.027 5.719 1.820 1.00 15.52 N ATOM 926 CZ ARG A 55 7.853 5.690 0.800 1.00 71.12 C ATOM 927 NH1 ARG A 55 8.540 4.621 0.516 1.00 64.02 N ATOM 928 NH2 ARG A 55 7.962 6.726 0.052 1.00 12.12 N ATOM 0 H ARG A 55 6.476 1.606 5.303 1.00 64.41 H new ATOM 0 HA ARG A 55 7.413 4.286 5.413 1.00 33.34 H new ATOM 0 HB2 ARG A 55 5.294 2.819 4.222 1.00 71.33 H new ATOM 0 HB3 ARG A 55 4.488 3.961 5.278 1.00 71.33 H new ATOM 0 HG2 ARG A 55 4.707 4.947 3.072 1.00 61.02 H new ATOM 0 HG3 ARG A 55 5.721 5.835 4.192 1.00 61.02 H new ATOM 0 HD2 ARG A 55 7.721 4.513 3.393 1.00 75.30 H new ATOM 0 HD3 ARG A 55 6.694 3.688 2.237 1.00 75.30 H new ATOM 0 HE ARG A 55 6.480 6.569 1.958 1.00 15.52 H new ATOM 0 HH11 ARG A 55 8.442 3.784 1.091 1.00 64.02 H new ATOM 0 HH12 ARG A 55 9.176 4.620 -0.281 1.00 64.02 H new ATOM 0 HH21 ARG A 55 7.410 7.560 0.253 1.00 12.12 H new ATOM 0 HH22 ARG A 55 8.600 6.716 -0.743 1.00 12.12 H new ATOM 942 N ARG A 56 5.606 3.291 7.971 1.00 72.44 N ATOM 943 CA ARG A 56 5.257 3.559 9.383 1.00 53.21 C ATOM 944 C ARG A 56 6.531 3.637 10.271 1.00 41.12 C ATOM 945 O ARG A 56 6.547 4.311 11.300 1.00 23.45 O ATOM 946 CB ARG A 56 4.283 2.450 9.871 1.00 63.33 C ATOM 947 CG ARG A 56 2.834 2.591 9.331 1.00 12.22 C ATOM 948 CD ARG A 56 2.002 1.293 9.454 1.00 41.32 C ATOM 949 NE ARG A 56 2.122 0.643 10.772 1.00 33.02 N ATOM 950 CZ ARG A 56 1.407 0.933 11.833 1.00 74.14 C ATOM 951 NH1 ARG A 56 0.626 1.965 11.853 1.00 21.44 N ATOM 952 NH2 ARG A 56 1.533 0.223 12.896 1.00 61.43 N ATOM 0 H ARG A 56 5.367 2.346 7.672 1.00 72.44 H new ATOM 0 HA ARG A 56 4.765 4.528 9.463 1.00 53.21 H new ATOM 0 HB2 ARG A 56 4.677 1.479 9.572 1.00 63.33 H new ATOM 0 HB3 ARG A 56 4.255 2.461 10.961 1.00 63.33 H new ATOM 0 HG2 ARG A 56 2.329 3.390 9.873 1.00 12.22 H new ATOM 0 HG3 ARG A 56 2.872 2.891 8.284 1.00 12.22 H new ATOM 0 HD2 ARG A 56 0.953 1.523 9.265 1.00 41.32 H new ATOM 0 HD3 ARG A 56 2.319 0.592 8.681 1.00 41.32 H new ATOM 0 HE ARG A 56 2.820 -0.095 10.867 1.00 33.02 H new ATOM 0 HH11 ARG A 56 0.559 2.569 11.034 1.00 21.44 H new ATOM 0 HH12 ARG A 56 0.078 2.174 12.688 1.00 21.44 H new ATOM 0 HH21 ARG A 56 2.186 -0.561 12.912 1.00 61.43 H new ATOM 0 HH22 ARG A 56 0.980 0.443 13.725 1.00 61.43 H new ATOM 966 N TYR A 57 7.594 2.929 9.847 1.00 10.22 N ATOM 967 CA TYR A 57 8.951 3.047 10.435 1.00 11.32 C ATOM 968 C TYR A 57 9.623 4.388 10.008 1.00 13.15 C ATOM 969 O TYR A 57 10.460 4.925 10.727 1.00 70.30 O ATOM 970 CB TYR A 57 9.806 1.821 9.985 1.00 72.31 C ATOM 971 CG TYR A 57 11.267 1.813 10.460 1.00 1.13 C ATOM 972 CD1 TYR A 57 11.603 1.442 11.766 1.00 55.23 C ATOM 973 CD2 TYR A 57 12.319 2.172 9.599 1.00 21.41 C ATOM 974 CE1 TYR A 57 12.921 1.434 12.194 1.00 43.23 C ATOM 975 CE2 TYR A 57 13.634 2.166 10.030 1.00 72.43 C ATOM 976 CZ TYR A 57 13.929 1.795 11.328 1.00 63.53 C ATOM 977 OH TYR A 57 15.244 1.783 11.762 1.00 63.41 O ATOM 0 H TYR A 57 7.541 2.255 9.084 1.00 10.22 H new ATOM 0 HA TYR A 57 8.878 3.053 11.523 1.00 11.32 H new ATOM 0 HB2 TYR A 57 9.322 0.913 10.345 1.00 72.31 H new ATOM 0 HB3 TYR A 57 9.798 1.777 8.896 1.00 72.31 H new ATOM 0 HD1 TYR A 57 10.821 1.156 12.454 1.00 55.23 H new ATOM 0 HD2 TYR A 57 12.096 2.458 8.582 1.00 21.41 H new ATOM 0 HE1 TYR A 57 13.158 1.145 13.207 1.00 43.23 H new ATOM 0 HE2 TYR A 57 14.427 2.450 9.354 1.00 72.43 H new ATOM 0 HH TYR A 57 15.833 2.062 11.030 1.00 63.41 H new ATOM 987 N LYS A 58 9.229 4.917 8.828 1.00 61.22 N ATOM 988 CA LYS A 58 9.790 6.172 8.259 1.00 42.23 C ATOM 989 C LYS A 58 9.074 7.447 8.787 1.00 63.23 C ATOM 990 O LYS A 58 9.656 8.537 8.745 1.00 33.54 O ATOM 991 CB LYS A 58 9.703 6.135 6.711 1.00 13.20 C ATOM 992 CG LYS A 58 10.521 5.011 6.050 1.00 41.12 C ATOM 993 CD LYS A 58 10.257 4.889 4.531 1.00 74.12 C ATOM 994 CE LYS A 58 10.887 3.621 3.927 1.00 51.32 C ATOM 995 NZ LYS A 58 12.347 3.530 4.189 1.00 44.11 N ATOM 0 H LYS A 58 8.514 4.489 8.240 1.00 61.22 H new ATOM 0 HA LYS A 58 10.830 6.227 8.580 1.00 42.23 H new ATOM 0 HB2 LYS A 58 8.658 6.024 6.421 1.00 13.20 H new ATOM 0 HB3 LYS A 58 10.043 7.093 6.318 1.00 13.20 H new ATOM 0 HG2 LYS A 58 11.582 5.195 6.216 1.00 41.12 H new ATOM 0 HG3 LYS A 58 10.283 4.063 6.532 1.00 41.12 H new ATOM 0 HD2 LYS A 58 9.182 4.878 4.351 1.00 74.12 H new ATOM 0 HD3 LYS A 58 10.656 5.767 4.024 1.00 74.12 H new ATOM 0 HE2 LYS A 58 10.392 2.742 4.339 1.00 51.32 H new ATOM 0 HE3 LYS A 58 10.713 3.610 2.851 1.00 51.32 H new ATOM 0 HZ1 LYS A 58 12.732 2.686 3.719 1.00 44.11 H new ATOM 0 HZ2 LYS A 58 12.820 4.379 3.818 1.00 44.11 H new ATOM 0 HZ3 LYS A 58 12.512 3.461 5.213 1.00 44.11 H new ATOM 1009 N THR A 59 7.814 7.321 9.275 1.00 53.22 N ATOM 1010 CA THR A 59 7.006 8.494 9.745 1.00 34.43 C ATOM 1011 C THR A 59 6.533 8.331 11.211 1.00 63.54 C ATOM 1012 O THR A 59 6.219 7.218 11.639 1.00 64.01 O ATOM 1013 CB THR A 59 5.765 8.753 8.812 1.00 33.02 C ATOM 1014 OG1 THR A 59 5.138 10.001 9.157 1.00 51.22 O ATOM 1015 CG2 THR A 59 4.712 7.632 8.882 1.00 2.23 C ATOM 0 H THR A 59 7.330 6.427 9.356 1.00 53.22 H new ATOM 0 HA THR A 59 7.669 9.358 9.697 1.00 34.43 H new ATOM 0 HB THR A 59 6.150 8.782 7.793 1.00 33.02 H new ATOM 0 HG1 THR A 59 4.368 10.154 8.570 1.00 51.22 H new ATOM 0 HG21 THR A 59 3.882 7.870 8.216 1.00 2.23 H new ATOM 0 HG22 THR A 59 5.164 6.689 8.575 1.00 2.23 H new ATOM 0 HG23 THR A 59 4.343 7.542 9.904 1.00 2.23 H new ATOM 1023 N LYS A 60 6.509 9.470 11.956 1.00 11.21 N ATOM 1024 CA LYS A 60 6.087 9.553 13.389 1.00 22.13 C ATOM 1025 C LYS A 60 6.720 8.437 14.262 1.00 75.21 C ATOM 1026 O LYS A 60 6.020 7.606 14.836 1.00 51.34 O ATOM 1027 CB LYS A 60 4.522 9.604 13.537 1.00 52.11 C ATOM 1028 CG LYS A 60 3.876 10.997 13.297 1.00 71.11 C ATOM 1029 CD LYS A 60 4.041 11.529 11.855 1.00 1.02 C ATOM 1030 CE LYS A 60 3.393 12.908 11.642 1.00 4.20 C ATOM 1031 NZ LYS A 60 3.515 13.380 10.235 1.00 64.03 N ATOM 0 H LYS A 60 6.787 10.374 11.574 1.00 11.21 H new ATOM 0 HA LYS A 60 6.475 10.497 13.772 1.00 22.13 H new ATOM 0 HB2 LYS A 60 4.084 8.893 12.836 1.00 52.11 H new ATOM 0 HB3 LYS A 60 4.257 9.267 14.539 1.00 52.11 H new ATOM 0 HG2 LYS A 60 2.813 10.938 13.532 1.00 71.11 H new ATOM 0 HG3 LYS A 60 4.316 11.714 13.990 1.00 71.11 H new ATOM 0 HD2 LYS A 60 5.103 11.593 11.617 1.00 1.02 H new ATOM 0 HD3 LYS A 60 3.600 10.816 11.158 1.00 1.02 H new ATOM 0 HE2 LYS A 60 2.339 12.858 11.916 1.00 4.20 H new ATOM 0 HE3 LYS A 60 3.861 13.633 12.308 1.00 4.20 H new ATOM 0 HZ1 LYS A 60 3.064 14.312 10.141 1.00 64.03 H new ATOM 0 HZ2 LYS A 60 4.520 13.455 9.980 1.00 64.03 H new ATOM 0 HZ3 LYS A 60 3.046 12.703 9.600 1.00 64.03 H new ATOM 1045 N ARG A 61 8.051 8.445 14.356 1.00 75.10 N ATOM 1046 CA ARG A 61 8.835 7.366 14.998 1.00 60.03 C ATOM 1047 C ARG A 61 9.930 7.946 15.924 1.00 12.02 C ATOM 1048 O ARG A 61 10.090 9.168 16.040 1.00 51.31 O ATOM 1049 CB ARG A 61 9.475 6.442 13.907 1.00 4.13 C ATOM 1050 CG ARG A 61 10.689 7.033 13.133 1.00 12.02 C ATOM 1051 CD ARG A 61 10.334 8.223 12.225 1.00 42.41 C ATOM 1052 NE ARG A 61 11.509 8.783 11.548 1.00 41.43 N ATOM 1053 CZ ARG A 61 11.564 9.969 10.974 1.00 23.04 C ATOM 1054 NH1 ARG A 61 10.551 10.782 11.007 1.00 43.21 N ATOM 1055 NH2 ARG A 61 12.644 10.339 10.392 1.00 43.14 N ATOM 0 H ARG A 61 8.628 9.202 13.989 1.00 75.10 H new ATOM 0 HA ARG A 61 8.157 6.772 15.612 1.00 60.03 H new ATOM 0 HB2 ARG A 61 9.792 5.515 14.386 1.00 4.13 H new ATOM 0 HB3 ARG A 61 8.703 6.179 13.184 1.00 4.13 H new ATOM 0 HG2 ARG A 61 11.445 7.350 13.851 1.00 12.02 H new ATOM 0 HG3 ARG A 61 11.137 6.247 12.525 1.00 12.02 H new ATOM 0 HD2 ARG A 61 9.607 7.902 11.479 1.00 42.41 H new ATOM 0 HD3 ARG A 61 9.857 9.001 12.821 1.00 42.41 H new ATOM 0 HE ARG A 61 12.351 8.209 11.519 1.00 41.43 H new ATOM 0 HH11 ARG A 61 9.692 10.507 11.483 1.00 43.21 H new ATOM 0 HH12 ARG A 61 10.615 11.695 10.556 1.00 43.21 H new ATOM 0 HH21 ARG A 61 13.453 9.718 10.375 1.00 43.14 H new ATOM 0 HH22 ARG A 61 12.695 11.255 9.946 1.00 43.14 H new ATOM 1069 N LYS A 62 10.664 7.051 16.588 1.00 61.43 N ATOM 1070 CA LYS A 62 11.819 7.401 17.442 1.00 2.31 C ATOM 1071 C LYS A 62 13.133 6.957 16.767 1.00 63.32 C ATOM 1072 O LYS A 62 13.154 5.959 16.038 1.00 32.01 O ATOM 1073 CB LYS A 62 11.654 6.719 18.825 1.00 34.35 C ATOM 1074 CG LYS A 62 11.662 5.170 18.783 1.00 44.34 C ATOM 1075 CD LYS A 62 11.216 4.513 20.104 1.00 3.13 C ATOM 1076 CE LYS A 62 11.233 2.975 20.031 1.00 11.04 C ATOM 1077 NZ LYS A 62 10.406 2.442 18.909 1.00 71.44 N ATOM 0 H LYS A 62 10.477 6.049 16.553 1.00 61.43 H new ATOM 0 HA LYS A 62 11.859 8.481 17.580 1.00 2.31 H new ATOM 0 HB2 LYS A 62 12.457 7.056 19.480 1.00 34.35 H new ATOM 0 HB3 LYS A 62 10.717 7.053 19.271 1.00 34.35 H new ATOM 0 HG2 LYS A 62 11.006 4.834 17.980 1.00 44.34 H new ATOM 0 HG3 LYS A 62 12.667 4.827 18.538 1.00 44.34 H new ATOM 0 HD2 LYS A 62 11.872 4.843 20.910 1.00 3.13 H new ATOM 0 HD3 LYS A 62 10.210 4.851 20.353 1.00 3.13 H new ATOM 0 HE2 LYS A 62 12.261 2.632 19.914 1.00 11.04 H new ATOM 0 HE3 LYS A 62 10.866 2.567 20.973 1.00 11.04 H new ATOM 0 HZ1 LYS A 62 10.314 1.411 19.005 1.00 71.44 H new ATOM 0 HZ2 LYS A 62 9.462 2.878 18.936 1.00 71.44 H new ATOM 0 HZ3 LYS A 62 10.865 2.665 18.003 1.00 71.44 H new ATOM 1091 N GLN A 63 14.219 7.701 16.997 1.00 34.31 N ATOM 1092 CA GLN A 63 15.562 7.341 16.489 1.00 14.33 C ATOM 1093 C GLN A 63 16.158 6.179 17.327 1.00 44.42 C ATOM 1094 O GLN A 63 16.430 5.088 16.808 1.00 3.52 O ATOM 1095 CB GLN A 63 16.483 8.595 16.515 1.00 71.23 C ATOM 1096 CG GLN A 63 17.928 8.372 16.010 1.00 62.52 C ATOM 1097 CD GLN A 63 18.029 7.899 14.553 1.00 12.33 C ATOM 1098 OE1 GLN A 63 17.186 8.207 13.717 1.00 61.51 O ATOM 1099 NE2 GLN A 63 19.073 7.161 14.242 1.00 40.22 N ATOM 0 H GLN A 63 14.201 8.566 17.537 1.00 34.31 H new ATOM 0 HA GLN A 63 15.483 6.997 15.458 1.00 14.33 H new ATOM 0 HB2 GLN A 63 16.022 9.375 15.910 1.00 71.23 H new ATOM 0 HB3 GLN A 63 16.528 8.970 17.538 1.00 71.23 H new ATOM 0 HG2 GLN A 63 18.484 9.304 16.115 1.00 62.52 H new ATOM 0 HG3 GLN A 63 18.414 7.637 16.652 1.00 62.52 H new ATOM 0 HE21 GLN A 63 19.759 6.920 14.958 1.00 40.22 H new ATOM 0 HE22 GLN A 63 19.197 6.830 13.285 1.00 40.22 H new ATOM 1108 N LEU A 64 16.313 6.428 18.634 1.00 12.34 N ATOM 1109 CA LEU A 64 16.831 5.450 19.620 1.00 64.05 C ATOM 1110 C LEU A 64 15.772 5.257 20.733 1.00 73.20 C ATOM 1111 O LEU A 64 15.347 4.135 21.021 1.00 44.10 O ATOM 1112 CB LEU A 64 18.198 5.975 20.178 1.00 5.04 C ATOM 1113 CG LEU A 64 19.060 5.018 21.091 1.00 23.44 C ATOM 1114 CD1 LEU A 64 20.548 5.443 21.088 1.00 21.52 C ATOM 1115 CD2 LEU A 64 18.537 4.962 22.553 1.00 14.42 C ATOM 0 H LEU A 64 16.080 7.329 19.051 1.00 12.34 H new ATOM 0 HA LEU A 64 17.011 4.477 19.162 1.00 64.05 H new ATOM 0 HB2 LEU A 64 18.814 6.263 19.326 1.00 5.04 H new ATOM 0 HB3 LEU A 64 17.996 6.882 20.747 1.00 5.04 H new ATOM 0 HG LEU A 64 18.967 4.019 20.665 1.00 23.44 H new ATOM 0 HD11 LEU A 64 21.120 4.768 21.724 1.00 21.52 H new ATOM 0 HD12 LEU A 64 20.937 5.400 20.071 1.00 21.52 H new ATOM 0 HD13 LEU A 64 20.636 6.461 21.467 1.00 21.52 H new ATOM 0 HD21 LEU A 64 19.165 4.290 23.138 1.00 14.42 H new ATOM 0 HD22 LEU A 64 18.569 5.960 22.989 1.00 14.42 H new ATOM 0 HD23 LEU A 64 17.510 4.596 22.558 1.00 14.42 H new ATOM 1127 N SER A 65 15.355 6.373 21.350 1.00 14.24 N ATOM 1128 CA SER A 65 14.318 6.400 22.415 1.00 14.20 C ATOM 1129 C SER A 65 13.224 7.436 22.073 1.00 55.13 C ATOM 1130 O SER A 65 12.031 7.134 22.130 1.00 5.21 O ATOM 1131 CB SER A 65 14.970 6.730 23.774 1.00 21.10 C ATOM 1132 OG SER A 65 15.715 7.936 23.699 1.00 33.34 O ATOM 0 H SER A 65 15.727 7.296 21.128 1.00 14.24 H new ATOM 0 HA SER A 65 13.851 5.417 22.480 1.00 14.20 H new ATOM 0 HB2 SER A 65 14.199 6.821 24.539 1.00 21.10 H new ATOM 0 HB3 SER A 65 15.624 5.912 24.076 1.00 21.10 H new ATOM 0 HG SER A 65 16.118 8.126 24.572 1.00 33.34 H new ATOM 1138 N SER A 66 13.653 8.665 21.731 1.00 22.42 N ATOM 1139 CA SER A 66 12.765 9.730 21.189 1.00 20.33 C ATOM 1140 C SER A 66 13.603 10.783 20.450 1.00 54.54 C ATOM 1141 O SER A 66 14.732 11.064 20.851 1.00 25.31 O ATOM 1142 CB SER A 66 11.936 10.420 22.306 1.00 14.30 C ATOM 1143 OG SER A 66 12.757 11.180 23.186 1.00 34.33 O ATOM 0 H SER A 66 14.627 8.956 21.820 1.00 22.42 H new ATOM 0 HA SER A 66 12.068 9.255 20.499 1.00 20.33 H new ATOM 0 HB2 SER A 66 11.189 11.072 21.853 1.00 14.30 H new ATOM 0 HB3 SER A 66 11.396 9.664 22.876 1.00 14.30 H new ATOM 0 HG SER A 66 12.199 11.600 23.873 1.00 34.33 H new ATOM 1149 N GLU A 67 13.047 11.396 19.392 1.00 43.14 N ATOM 1150 CA GLU A 67 13.749 12.445 18.606 1.00 35.12 C ATOM 1151 C GLU A 67 13.571 13.855 19.246 1.00 31.14 C ATOM 1152 O GLU A 67 13.302 14.849 18.558 1.00 51.02 O ATOM 1153 CB GLU A 67 13.255 12.415 17.131 1.00 2.34 C ATOM 1154 CG GLU A 67 13.426 11.044 16.441 1.00 52.14 C ATOM 1155 CD GLU A 67 13.118 11.079 14.933 1.00 74.15 C ATOM 1156 OE1 GLU A 67 11.937 10.990 14.548 1.00 21.43 O ATOM 1157 OE2 GLU A 67 14.063 11.212 14.127 1.00 43.15 O ATOM 0 H GLU A 67 12.108 11.187 19.053 1.00 43.14 H new ATOM 0 HA GLU A 67 14.818 12.232 18.616 1.00 35.12 H new ATOM 0 HB2 GLU A 67 12.202 12.695 17.105 1.00 2.34 H new ATOM 0 HB3 GLU A 67 13.799 13.168 16.561 1.00 2.34 H new ATOM 0 HG2 GLU A 67 14.448 10.696 16.588 1.00 52.14 H new ATOM 0 HG3 GLU A 67 12.770 10.318 16.922 1.00 52.14 H new ATOM 1164 N LEU A 68 13.752 13.920 20.580 1.00 72.31 N ATOM 1165 CA LEU A 68 13.729 15.176 21.356 1.00 74.23 C ATOM 1166 C LEU A 68 15.117 15.866 21.301 1.00 14.24 C ATOM 1167 O LEU A 68 16.146 15.210 21.503 1.00 53.32 O ATOM 1168 CB LEU A 68 13.324 14.872 22.824 1.00 40.42 C ATOM 1169 CG LEU A 68 13.324 16.086 23.817 1.00 30.52 C ATOM 1170 CD1 LEU A 68 12.316 17.178 23.393 1.00 32.22 C ATOM 1171 CD2 LEU A 68 13.072 15.619 25.270 1.00 73.34 C ATOM 0 H LEU A 68 13.920 13.094 21.155 1.00 72.31 H new ATOM 0 HA LEU A 68 12.995 15.855 20.922 1.00 74.23 H new ATOM 0 HB2 LEU A 68 12.325 14.436 22.819 1.00 40.42 H new ATOM 0 HB3 LEU A 68 14.001 14.112 23.214 1.00 40.42 H new ATOM 0 HG LEU A 68 14.316 16.536 23.778 1.00 30.52 H new ATOM 0 HD11 LEU A 68 12.348 18.000 24.108 1.00 32.22 H new ATOM 0 HD12 LEU A 68 12.577 17.549 22.402 1.00 32.22 H new ATOM 0 HD13 LEU A 68 11.311 16.756 23.370 1.00 32.22 H new ATOM 0 HD21 LEU A 68 13.078 16.482 25.936 1.00 73.34 H new ATOM 0 HD22 LEU A 68 12.104 15.121 25.329 1.00 73.34 H new ATOM 0 HD23 LEU A 68 13.856 14.924 25.570 1.00 73.34 H new ATOM 1183 N GLY A 69 15.131 17.185 21.020 1.00 3.44 N ATOM 1184 CA GLY A 69 16.377 17.967 20.953 1.00 73.35 C ATOM 1185 C GLY A 69 16.986 17.997 19.554 1.00 55.23 C ATOM 1186 O GLY A 69 16.863 18.986 18.830 1.00 2.10 O ATOM 0 H GLY A 69 14.289 17.730 20.836 1.00 3.44 H new ATOM 0 HA2 GLY A 69 16.177 18.988 21.278 1.00 73.35 H new ATOM 0 HA3 GLY A 69 17.102 17.546 21.650 1.00 73.35 H new TER 1190 GLY A 69