USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=19 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 27 LYS NZ :NH3+ -164:sc= 0.584 (180deg=-0.0481) USER MOD Set 1.2: A 59 THR OG1 : rot 0:sc= 0.973 USER MOD Set 2.1: A 22 LYS NZ :NH3+ 144:sc= 0.679 (180deg=0.696) USER MOD Set 2.2: A 26 GLN : amide:sc= -0.632 X(o=0.046,f=-0.16) USER MOD Single : A 1 MET CE :methyl -170:sc= 0 (180deg=-0.125) USER MOD Single : A 1 MET N :NH3+ -169:sc= -0.0144 (180deg=-0.213) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= -0.0417 X(o=-0.042,f=-0.35) 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 X(o=0,f=-0.029) USER MOD Single : A 7 HIS : no HD1:sc= -0.0385 X(o=-0.039,f=-0.079) USER MOD Single : A 8 HIS : no HD1:sc= -0.0747 X(o=-0.075,f=0.0072) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl -167:sc= -1.35 (180deg=-1.69) USER MOD Single : A 12 SER OG : rot 180:sc= 0 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= -2.48 K(o=-2.5,f=-6.2!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= -0.167 X(o=-0.17,f=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 92:sc= 0.244 USER MOD Single : A 36 HIS : no HD1:sc= -0.0713 X(o=-0.071,f=0) USER MOD Single : A 39 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0157) USER MOD Single : A 40 ASN : amide:sc= -0.151 K(o=-0.15,f=-0.68) USER MOD Single : A 42 LYS NZ :NH3+ -148:sc= 0.54 (180deg=0.148) USER MOD Single : A 44 THR OG1 : rot -79:sc= -0.293 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.451 X(o=-0.45,f=-0.013) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 54 ASN : amide:sc= -0.198 X(o=-0.2,f=-0.093) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.0175 K(o=-0.018,f=-2.6!) 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 20.703 5.605 16.310 1.00 12.10 N ATOM 2 CA MET A 1 20.755 6.340 15.015 1.00 11.11 C ATOM 3 C MET A 1 20.207 5.450 13.880 1.00 45.05 C ATOM 4 O MET A 1 20.927 4.617 13.329 1.00 5.23 O ATOM 5 CB MET A 1 22.206 6.806 14.707 1.00 22.02 C ATOM 6 CG MET A 1 22.829 7.684 15.804 1.00 43.33 C ATOM 7 SD MET A 1 21.945 9.241 16.043 1.00 73.34 S ATOM 8 CE MET A 1 22.358 10.130 14.539 1.00 31.02 C ATOM 0 H1 MET A 1 20.895 6.264 17.091 1.00 12.10 H new ATOM 0 H2 MET A 1 19.759 5.186 16.434 1.00 12.10 H new ATOM 0 H3 MET A 1 21.419 4.851 16.310 1.00 12.10 H new ATOM 0 HA MET A 1 20.128 7.229 15.089 1.00 11.11 H new ATOM 0 HB2 MET A 1 22.834 5.928 14.559 1.00 22.02 H new ATOM 0 HB3 MET A 1 22.207 7.361 13.769 1.00 22.02 H new ATOM 0 HG2 MET A 1 22.840 7.130 16.743 1.00 43.33 H new ATOM 0 HG3 MET A 1 23.867 7.897 15.547 1.00 43.33 H new ATOM 0 HE1 MET A 1 22.031 11.166 14.627 1.00 31.02 H new ATOM 0 HE2 MET A 1 23.437 10.102 14.384 1.00 31.02 H new ATOM 0 HE3 MET A 1 21.857 9.663 13.691 1.00 31.02 H new ATOM 20 N GLY A 2 18.905 5.604 13.569 1.00 63.04 N ATOM 21 CA GLY A 2 18.244 4.824 12.508 1.00 33.33 C ATOM 22 C GLY A 2 18.378 5.449 11.116 1.00 73.14 C ATOM 23 O GLY A 2 17.385 5.890 10.533 1.00 42.43 O ATOM 0 H GLY A 2 18.289 6.266 14.041 1.00 63.04 H new ATOM 0 HA2 GLY A 2 18.668 3.820 12.489 1.00 33.33 H new ATOM 0 HA3 GLY A 2 17.186 4.719 12.750 1.00 33.33 H new ATOM 27 N HIS A 3 19.619 5.492 10.589 1.00 40.22 N ATOM 28 CA HIS A 3 19.919 5.994 9.219 1.00 23.24 C ATOM 29 C HIS A 3 20.480 4.845 8.344 1.00 35.02 C ATOM 30 O HIS A 3 21.649 4.854 7.935 1.00 1.21 O ATOM 31 CB HIS A 3 20.906 7.199 9.276 1.00 64.41 C ATOM 32 CG HIS A 3 20.367 8.415 9.992 1.00 22.33 C ATOM 33 ND1 HIS A 3 19.861 9.513 9.332 1.00 4.11 N ATOM 34 CD2 HIS A 3 20.265 8.703 11.314 1.00 43.00 C ATOM 35 CE1 HIS A 3 19.479 10.416 10.209 1.00 1.12 C ATOM 36 NE2 HIS A 3 19.709 9.949 11.416 1.00 44.24 N ATOM 0 H HIS A 3 20.447 5.181 11.097 1.00 40.22 H new ATOM 0 HA HIS A 3 18.995 6.350 8.763 1.00 23.24 H new ATOM 0 HB2 HIS A 3 21.823 6.878 9.770 1.00 64.41 H new ATOM 0 HB3 HIS A 3 21.174 7.481 8.258 1.00 64.41 H new ATOM 0 HD2 HIS A 3 20.567 8.067 12.133 1.00 43.00 H new ATOM 0 HE1 HIS A 3 19.049 11.379 9.976 1.00 1.12 H new ATOM 0 HE2 HIS A 3 19.506 10.437 12.288 1.00 44.24 H new ATOM 45 N HIS A 4 19.628 3.835 8.094 1.00 52.24 N ATOM 46 CA HIS A 4 19.989 2.621 7.323 1.00 0.55 C ATOM 47 C HIS A 4 18.792 2.171 6.440 1.00 3.11 C ATOM 48 O HIS A 4 17.885 1.465 6.893 1.00 50.34 O ATOM 49 CB HIS A 4 20.475 1.497 8.288 1.00 22.32 C ATOM 50 CG HIS A 4 19.539 1.186 9.440 1.00 44.35 C ATOM 51 ND1 HIS A 4 18.618 0.160 9.408 1.00 35.21 N ATOM 52 CD2 HIS A 4 19.391 1.774 10.656 1.00 12.35 C ATOM 53 CE1 HIS A 4 17.950 0.131 10.542 1.00 42.44 C ATOM 54 NE2 HIS A 4 18.398 1.098 11.316 1.00 20.12 N ATOM 0 H HIS A 4 18.662 3.833 8.421 1.00 52.24 H new ATOM 0 HA HIS A 4 20.816 2.847 6.650 1.00 0.55 H new ATOM 0 HB2 HIS A 4 20.629 0.586 7.710 1.00 22.32 H new ATOM 0 HB3 HIS A 4 21.444 1.784 8.696 1.00 22.32 H new ATOM 0 HD2 HIS A 4 19.951 2.617 11.032 1.00 12.35 H new ATOM 0 HE1 HIS A 4 17.167 -0.568 10.795 1.00 42.44 H new ATOM 0 HE2 HIS A 4 18.060 1.310 12.255 1.00 20.12 H new ATOM 63 N HIS A 5 18.798 2.613 5.170 1.00 60.11 N ATOM 64 CA HIS A 5 17.659 2.424 4.243 1.00 74.44 C ATOM 65 C HIS A 5 17.618 0.986 3.671 1.00 21.23 C ATOM 66 O HIS A 5 16.622 0.279 3.852 1.00 5.34 O ATOM 67 CB HIS A 5 17.724 3.461 3.100 1.00 12.51 C ATOM 68 CG HIS A 5 17.720 4.895 3.572 1.00 35.33 C ATOM 69 ND1 HIS A 5 18.837 5.703 3.539 1.00 73.42 N ATOM 70 CD2 HIS A 5 16.726 5.664 4.087 1.00 41.41 C ATOM 71 CE1 HIS A 5 18.536 6.895 4.009 1.00 55.54 C ATOM 72 NE2 HIS A 5 17.264 6.899 4.353 1.00 72.22 N ATOM 0 H HIS A 5 19.587 3.109 4.755 1.00 60.11 H new ATOM 0 HA HIS A 5 16.740 2.576 4.809 1.00 74.44 H new ATOM 0 HB2 HIS A 5 18.626 3.285 2.514 1.00 12.51 H new ATOM 0 HB3 HIS A 5 16.875 3.306 2.434 1.00 12.51 H new ATOM 0 HD2 HIS A 5 15.703 5.361 4.256 1.00 41.41 H new ATOM 0 HE1 HIS A 5 19.217 7.729 4.098 1.00 55.54 H new ATOM 0 HE2 HIS A 5 16.761 7.691 4.752 1.00 72.22 H new ATOM 81 N HIS A 6 18.718 0.581 2.991 1.00 63.53 N ATOM 82 CA HIS A 6 18.867 -0.753 2.353 1.00 2.41 C ATOM 83 C HIS A 6 17.805 -0.958 1.229 1.00 72.11 C ATOM 84 O HIS A 6 16.697 -1.451 1.484 1.00 2.24 O ATOM 85 CB HIS A 6 18.827 -1.883 3.428 1.00 11.52 C ATOM 86 CG HIS A 6 19.197 -3.255 2.926 1.00 73.11 C ATOM 87 ND1 HIS A 6 18.310 -4.091 2.292 1.00 0.14 N ATOM 88 CD2 HIS A 6 20.367 -3.939 2.987 1.00 71.32 C ATOM 89 CE1 HIS A 6 18.908 -5.223 1.988 1.00 72.20 C ATOM 90 NE2 HIS A 6 20.157 -5.158 2.396 1.00 62.41 N ATOM 0 H HIS A 6 19.537 1.177 2.868 1.00 63.53 H new ATOM 0 HA HIS A 6 19.844 -0.804 1.872 1.00 2.41 H new ATOM 0 HB2 HIS A 6 19.503 -1.615 4.240 1.00 11.52 H new ATOM 0 HB3 HIS A 6 17.823 -1.926 3.851 1.00 11.52 H new ATOM 0 HD2 HIS A 6 21.292 -3.588 3.421 1.00 71.32 H new ATOM 0 HE1 HIS A 6 18.451 -6.064 1.488 1.00 72.20 H new ATOM 0 HE2 HIS A 6 20.855 -5.894 2.290 1.00 62.41 H new ATOM 99 N HIS A 7 18.156 -0.542 -0.009 1.00 61.44 N ATOM 100 CA HIS A 7 17.225 -0.546 -1.169 1.00 65.42 C ATOM 101 C HIS A 7 16.701 -1.970 -1.524 1.00 60.50 C ATOM 102 O HIS A 7 17.481 -2.878 -1.827 1.00 1.15 O ATOM 103 CB HIS A 7 17.869 0.149 -2.404 1.00 64.31 C ATOM 104 CG HIS A 7 19.203 -0.411 -2.840 1.00 63.15 C ATOM 105 ND1 HIS A 7 19.335 -1.445 -3.742 1.00 22.43 N ATOM 106 CD2 HIS A 7 20.468 -0.057 -2.504 1.00 23.14 C ATOM 107 CE1 HIS A 7 20.612 -1.697 -3.939 1.00 64.55 C ATOM 108 NE2 HIS A 7 21.319 -0.870 -3.200 1.00 4.01 N ATOM 0 H HIS A 7 19.088 -0.195 -0.235 1.00 61.44 H new ATOM 0 HA HIS A 7 16.351 0.032 -0.869 1.00 65.42 H new ATOM 0 HB2 HIS A 7 17.174 0.081 -3.241 1.00 64.31 H new ATOM 0 HB3 HIS A 7 17.995 1.208 -2.179 1.00 64.31 H new ATOM 0 HD2 HIS A 7 20.751 0.724 -1.814 1.00 23.14 H new ATOM 0 HE1 HIS A 7 21.012 -2.455 -4.596 1.00 64.55 H new ATOM 0 HE2 HIS A 7 22.338 -0.840 -3.154 1.00 4.01 H new ATOM 117 N HIS A 8 15.367 -2.135 -1.453 1.00 74.35 N ATOM 118 CA HIS A 8 14.668 -3.408 -1.760 1.00 44.31 C ATOM 119 C HIS A 8 13.243 -3.149 -2.326 1.00 14.12 C ATOM 120 O HIS A 8 12.495 -4.107 -2.573 1.00 34.22 O ATOM 121 CB HIS A 8 14.589 -4.304 -0.489 1.00 33.22 C ATOM 122 CG HIS A 8 13.659 -3.783 0.591 1.00 45.34 C ATOM 123 ND1 HIS A 8 12.538 -4.468 1.010 1.00 3.22 N ATOM 124 CD2 HIS A 8 13.693 -2.649 1.337 1.00 15.41 C ATOM 125 CE1 HIS A 8 11.930 -3.785 1.956 1.00 12.25 C ATOM 126 NE2 HIS A 8 12.608 -2.677 2.175 1.00 70.22 N ATOM 0 H HIS A 8 14.733 -1.384 -1.179 1.00 74.35 H new ATOM 0 HA HIS A 8 15.244 -3.929 -2.525 1.00 44.31 H new ATOM 0 HB2 HIS A 8 14.262 -5.301 -0.783 1.00 33.22 H new ATOM 0 HB3 HIS A 8 15.590 -4.408 -0.070 1.00 33.22 H new ATOM 0 HD2 HIS A 8 14.438 -1.869 1.281 1.00 15.41 H new ATOM 0 HE1 HIS A 8 11.027 -4.083 2.467 1.00 12.25 H new ATOM 0 HE2 HIS A 8 12.366 -1.958 2.856 1.00 70.22 H new ATOM 135 N SER A 9 12.874 -1.850 -2.512 1.00 44.04 N ATOM 136 CA SER A 9 11.543 -1.448 -3.037 1.00 70.32 C ATOM 137 C SER A 9 11.306 -2.018 -4.452 1.00 31.23 C ATOM 138 O SER A 9 11.782 -1.466 -5.450 1.00 74.13 O ATOM 139 CB SER A 9 11.374 0.096 -3.045 1.00 44.34 C ATOM 140 OG SER A 9 11.292 0.625 -1.726 1.00 43.23 O ATOM 0 H SER A 9 13.487 -1.061 -2.304 1.00 44.04 H new ATOM 0 HA SER A 9 10.794 -1.867 -2.365 1.00 70.32 H new ATOM 0 HB2 SER A 9 12.215 0.551 -3.568 1.00 44.34 H new ATOM 0 HB3 SER A 9 10.474 0.360 -3.599 1.00 44.34 H new ATOM 0 HG SER A 9 11.188 1.598 -1.770 1.00 43.23 H new ATOM 146 N HIS A 10 10.597 -3.156 -4.501 1.00 12.21 N ATOM 147 CA HIS A 10 10.206 -3.836 -5.754 1.00 32.41 C ATOM 148 C HIS A 10 9.228 -2.972 -6.587 1.00 43.40 C ATOM 149 O HIS A 10 9.106 -3.145 -7.802 1.00 13.22 O ATOM 150 CB HIS A 10 9.566 -5.211 -5.425 1.00 74.43 C ATOM 151 CG HIS A 10 10.465 -6.129 -4.626 1.00 22.30 C ATOM 152 ND1 HIS A 10 11.636 -6.663 -5.131 1.00 74.31 N ATOM 153 CD2 HIS A 10 10.368 -6.597 -3.355 1.00 71.53 C ATOM 154 CE1 HIS A 10 12.211 -7.410 -4.211 1.00 64.40 C ATOM 155 NE2 HIS A 10 11.463 -7.386 -3.130 1.00 12.53 N ATOM 0 H HIS A 10 10.273 -3.639 -3.663 1.00 12.21 H new ATOM 0 HA HIS A 10 11.103 -3.988 -6.354 1.00 32.41 H new ATOM 0 HB2 HIS A 10 8.643 -5.048 -4.869 1.00 74.43 H new ATOM 0 HB3 HIS A 10 9.293 -5.706 -6.357 1.00 74.43 H new ATOM 0 HD2 HIS A 10 9.575 -6.386 -2.653 1.00 71.53 H new ATOM 0 HE1 HIS A 10 13.139 -7.950 -4.325 1.00 64.40 H new ATOM 0 HE2 HIS A 10 11.667 -7.878 -2.260 1.00 12.53 H new ATOM 164 N MET A 11 8.532 -2.056 -5.892 1.00 14.22 N ATOM 165 CA MET A 11 7.572 -1.111 -6.488 1.00 15.23 C ATOM 166 C MET A 11 8.253 -0.119 -7.463 1.00 51.41 C ATOM 167 O MET A 11 9.403 0.278 -7.271 1.00 63.44 O ATOM 168 CB MET A 11 6.839 -0.315 -5.378 1.00 52.43 C ATOM 169 CG MET A 11 6.080 -1.165 -4.356 1.00 13.34 C ATOM 170 SD MET A 11 7.153 -2.175 -3.309 1.00 63.15 S ATOM 171 CE MET A 11 5.948 -2.923 -2.219 1.00 25.32 C ATOM 0 H MET A 11 8.623 -1.950 -4.882 1.00 14.22 H new ATOM 0 HA MET A 11 6.856 -1.704 -7.057 1.00 15.23 H new ATOM 0 HB2 MET A 11 7.571 0.294 -4.847 1.00 52.43 H new ATOM 0 HB3 MET A 11 6.135 0.371 -5.850 1.00 52.43 H new ATOM 0 HG2 MET A 11 5.483 -0.509 -3.723 1.00 13.34 H new ATOM 0 HG3 MET A 11 5.385 -1.817 -4.884 1.00 13.34 H new ATOM 0 HE1 MET A 11 6.459 -3.388 -1.376 1.00 25.32 H new ATOM 0 HE2 MET A 11 5.265 -2.157 -1.852 1.00 25.32 H new ATOM 0 HE3 MET A 11 5.385 -3.680 -2.764 1.00 25.32 H new ATOM 181 N SER A 12 7.507 0.289 -8.505 1.00 2.30 N ATOM 182 CA SER A 12 7.964 1.298 -9.502 1.00 44.51 C ATOM 183 C SER A 12 7.727 2.734 -8.964 1.00 44.21 C ATOM 184 O SER A 12 6.982 2.900 -8.008 1.00 5.34 O ATOM 185 CB SER A 12 7.202 1.082 -10.828 1.00 44.21 C ATOM 186 OG SER A 12 7.663 1.943 -11.861 1.00 73.32 O ATOM 0 H SER A 12 6.568 -0.066 -8.688 1.00 2.30 H new ATOM 0 HA SER A 12 9.033 1.176 -9.678 1.00 44.51 H new ATOM 0 HB2 SER A 12 7.315 0.045 -11.145 1.00 44.21 H new ATOM 0 HB3 SER A 12 6.138 1.251 -10.665 1.00 44.21 H new ATOM 0 HG SER A 12 7.155 1.771 -12.681 1.00 73.32 H new ATOM 192 N HIS A 13 8.337 3.766 -9.600 1.00 71.22 N ATOM 193 CA HIS A 13 8.254 5.196 -9.144 1.00 23.20 C ATOM 194 C HIS A 13 6.783 5.675 -8.944 1.00 43.03 C ATOM 195 O HIS A 13 6.404 6.098 -7.843 1.00 32.15 O ATOM 196 CB HIS A 13 8.996 6.120 -10.154 1.00 32.40 C ATOM 197 CG HIS A 13 9.001 7.598 -9.800 1.00 62.34 C ATOM 198 ND1 HIS A 13 10.023 8.201 -9.098 1.00 3.20 N ATOM 199 CD2 HIS A 13 8.113 8.594 -10.077 1.00 1.13 C ATOM 200 CE1 HIS A 13 9.767 9.486 -8.960 1.00 55.33 C ATOM 201 NE2 HIS A 13 8.618 9.748 -9.544 1.00 32.43 N ATOM 0 H HIS A 13 8.900 3.642 -10.441 1.00 71.22 H new ATOM 0 HA HIS A 13 8.740 5.256 -8.170 1.00 23.20 H new ATOM 0 HB2 HIS A 13 10.028 5.781 -10.241 1.00 32.40 H new ATOM 0 HB3 HIS A 13 8.537 6.000 -11.135 1.00 32.40 H new ATOM 0 HD2 HIS A 13 7.183 8.491 -10.617 1.00 1.13 H new ATOM 0 HE1 HIS A 13 10.395 10.203 -8.453 1.00 55.33 H new ATOM 0 HE2 HIS A 13 8.174 10.665 -9.592 1.00 32.43 H new ATOM 210 N THR A 14 5.973 5.585 -10.020 1.00 3.52 N ATOM 211 CA THR A 14 4.533 5.967 -10.008 1.00 52.41 C ATOM 212 C THR A 14 3.714 5.072 -9.041 1.00 11.33 C ATOM 213 O THR A 14 2.787 5.534 -8.374 1.00 42.41 O ATOM 214 CB THR A 14 3.916 5.858 -11.447 1.00 3.53 C ATOM 215 OG1 THR A 14 4.736 6.577 -12.388 1.00 14.54 O ATOM 216 CG2 THR A 14 2.470 6.398 -11.512 1.00 15.14 C ATOM 0 H THR A 14 6.294 5.245 -10.927 1.00 3.52 H new ATOM 0 HA THR A 14 4.481 7.000 -9.663 1.00 52.41 H new ATOM 0 HB THR A 14 3.886 4.799 -11.703 1.00 3.53 H new ATOM 0 HG1 THR A 14 4.346 6.504 -13.284 1.00 14.54 H new ATOM 0 HG21 THR A 14 2.090 6.299 -12.529 1.00 15.14 H new ATOM 0 HG22 THR A 14 1.838 5.828 -10.832 1.00 15.14 H new ATOM 0 HG23 THR A 14 2.461 7.449 -11.221 1.00 15.14 H new ATOM 224 N GLN A 15 4.102 3.791 -8.974 1.00 44.41 N ATOM 225 CA GLN A 15 3.442 2.761 -8.146 1.00 30.01 C ATOM 226 C GLN A 15 3.605 3.049 -6.628 1.00 44.32 C ATOM 227 O GLN A 15 2.667 2.843 -5.847 1.00 52.13 O ATOM 228 CB GLN A 15 4.041 1.393 -8.549 1.00 33.43 C ATOM 229 CG GLN A 15 3.453 0.165 -7.852 1.00 32.12 C ATOM 230 CD GLN A 15 3.920 -1.133 -8.514 1.00 43.41 C ATOM 231 OE1 GLN A 15 4.944 -1.693 -8.159 1.00 0.51 O ATOM 232 NE2 GLN A 15 3.197 -1.594 -9.509 1.00 34.31 N ATOM 0 H GLN A 15 4.897 3.431 -9.502 1.00 44.41 H new ATOM 0 HA GLN A 15 2.367 2.763 -8.325 1.00 30.01 H new ATOM 0 HB2 GLN A 15 3.917 1.268 -9.625 1.00 33.43 H new ATOM 0 HB3 GLN A 15 5.113 1.417 -8.353 1.00 33.43 H new ATOM 0 HG2 GLN A 15 3.747 0.166 -6.802 1.00 32.12 H new ATOM 0 HG3 GLN A 15 2.365 0.217 -7.878 1.00 32.12 H new ATOM 0 HE21 GLN A 15 2.344 -1.108 -9.788 1.00 34.31 H new ATOM 0 HE22 GLN A 15 3.488 -2.438 -10.003 1.00 34.31 H new ATOM 241 N VAL A 16 4.800 3.544 -6.232 1.00 51.32 N ATOM 242 CA VAL A 16 5.058 4.048 -4.861 1.00 45.14 C ATOM 243 C VAL A 16 4.162 5.272 -4.554 1.00 14.42 C ATOM 244 O VAL A 16 3.577 5.337 -3.480 1.00 13.45 O ATOM 245 CB VAL A 16 6.580 4.424 -4.633 1.00 30.05 C ATOM 246 CG1 VAL A 16 6.832 5.021 -3.220 1.00 41.11 C ATOM 247 CG2 VAL A 16 7.506 3.209 -4.876 1.00 52.23 C ATOM 0 H VAL A 16 5.610 3.606 -6.849 1.00 51.32 H new ATOM 0 HA VAL A 16 4.813 3.237 -4.175 1.00 45.14 H new ATOM 0 HB VAL A 16 6.821 5.194 -5.366 1.00 30.05 H new ATOM 0 HG11 VAL A 16 7.889 5.263 -3.111 1.00 41.11 H new ATOM 0 HG12 VAL A 16 6.238 5.926 -3.096 1.00 41.11 H new ATOM 0 HG13 VAL A 16 6.546 4.293 -2.461 1.00 41.11 H new ATOM 0 HG21 VAL A 16 8.543 3.503 -4.711 1.00 52.23 H new ATOM 0 HG22 VAL A 16 7.242 2.407 -4.187 1.00 52.23 H new ATOM 0 HG23 VAL A 16 7.387 2.860 -5.902 1.00 52.23 H new ATOM 257 N ILE A 17 4.033 6.209 -5.533 1.00 52.15 N ATOM 258 CA ILE A 17 3.159 7.415 -5.409 1.00 71.22 C ATOM 259 C ILE A 17 1.692 7.016 -5.101 1.00 44.35 C ATOM 260 O ILE A 17 1.047 7.620 -4.243 1.00 31.25 O ATOM 261 CB ILE A 17 3.213 8.308 -6.715 1.00 72.32 C ATOM 262 CG1 ILE A 17 4.669 8.816 -6.986 1.00 42.35 C ATOM 263 CG2 ILE A 17 2.216 9.494 -6.646 1.00 43.05 C ATOM 264 CD1 ILE A 17 4.843 9.632 -8.262 1.00 71.25 C ATOM 0 H ILE A 17 4.526 6.153 -6.424 1.00 52.15 H new ATOM 0 HA ILE A 17 3.543 8.003 -4.575 1.00 71.22 H new ATOM 0 HB ILE A 17 2.909 7.678 -7.551 1.00 72.32 H new ATOM 0 HG12 ILE A 17 4.989 9.423 -6.139 1.00 42.35 H new ATOM 0 HG13 ILE A 17 5.335 7.954 -7.031 1.00 42.35 H new ATOM 0 HG21 ILE A 17 2.285 10.081 -7.562 1.00 43.05 H new ATOM 0 HG22 ILE A 17 1.202 9.111 -6.537 1.00 43.05 H new ATOM 0 HG23 ILE A 17 2.460 10.125 -5.791 1.00 43.05 H new ATOM 0 HD11 ILE A 17 5.885 9.937 -8.360 1.00 71.25 H new ATOM 0 HD12 ILE A 17 4.560 9.026 -9.123 1.00 71.25 H new ATOM 0 HD13 ILE A 17 4.209 10.517 -8.217 1.00 71.25 H new ATOM 276 N GLU A 18 1.204 5.968 -5.784 1.00 30.42 N ATOM 277 CA GLU A 18 -0.159 5.420 -5.585 1.00 31.03 C ATOM 278 C GLU A 18 -0.351 4.848 -4.160 1.00 44.33 C ATOM 279 O GLU A 18 -1.391 5.075 -3.519 1.00 22.42 O ATOM 280 CB GLU A 18 -0.411 4.328 -6.647 1.00 14.44 C ATOM 281 CG GLU A 18 -0.461 4.849 -8.097 1.00 1.10 C ATOM 282 CD GLU A 18 -1.729 5.669 -8.409 1.00 0.32 C ATOM 283 OE1 GLU A 18 -2.756 5.065 -8.799 1.00 52.24 O ATOM 284 OE2 GLU A 18 -1.719 6.909 -8.256 1.00 43.44 O ATOM 0 H GLU A 18 1.741 5.471 -6.494 1.00 30.42 H new ATOM 0 HA GLU A 18 -0.881 6.228 -5.698 1.00 31.03 H new ATOM 0 HB2 GLU A 18 0.375 3.576 -6.571 1.00 14.44 H new ATOM 0 HB3 GLU A 18 -1.353 3.829 -6.421 1.00 14.44 H new ATOM 0 HG2 GLU A 18 0.417 5.467 -8.284 1.00 1.10 H new ATOM 0 HG3 GLU A 18 -0.407 4.003 -8.782 1.00 1.10 H new ATOM 291 N LEU A 19 0.665 4.105 -3.683 1.00 1.33 N ATOM 292 CA LEU A 19 0.719 3.597 -2.295 1.00 40.10 C ATOM 293 C LEU A 19 0.787 4.770 -1.266 1.00 32.14 C ATOM 294 O LEU A 19 0.217 4.669 -0.183 1.00 72.03 O ATOM 295 CB LEU A 19 1.949 2.664 -2.129 1.00 62.02 C ATOM 296 CG LEU A 19 1.925 1.315 -2.915 1.00 55.32 C ATOM 297 CD1 LEU A 19 3.331 0.701 -3.017 1.00 23.22 C ATOM 298 CD2 LEU A 19 0.942 0.311 -2.280 1.00 1.11 C ATOM 0 H LEU A 19 1.472 3.839 -4.247 1.00 1.33 H new ATOM 0 HA LEU A 19 -0.193 3.034 -2.098 1.00 40.10 H new ATOM 0 HB2 LEU A 19 2.838 3.217 -2.432 1.00 62.02 H new ATOM 0 HB3 LEU A 19 2.062 2.437 -1.069 1.00 62.02 H new ATOM 0 HG LEU A 19 1.578 1.537 -3.924 1.00 55.32 H new ATOM 0 HD11 LEU A 19 3.279 -0.237 -3.570 1.00 23.22 H new ATOM 0 HD12 LEU A 19 3.993 1.393 -3.537 1.00 23.22 H new ATOM 0 HD13 LEU A 19 3.719 0.511 -2.016 1.00 23.22 H new ATOM 0 HD21 LEU A 19 0.950 -0.617 -2.852 1.00 1.11 H new ATOM 0 HD22 LEU A 19 1.243 0.107 -1.253 1.00 1.11 H new ATOM 0 HD23 LEU A 19 -0.063 0.732 -2.286 1.00 1.11 H new ATOM 310 N GLU A 20 1.489 5.879 -1.632 1.00 12.43 N ATOM 311 CA GLU A 20 1.654 7.083 -0.767 1.00 21.21 C ATOM 312 C GLU A 20 0.329 7.863 -0.610 1.00 5.43 C ATOM 313 O GLU A 20 0.045 8.392 0.466 1.00 54.51 O ATOM 314 CB GLU A 20 2.762 8.031 -1.329 1.00 21.52 C ATOM 315 CG GLU A 20 4.204 7.481 -1.241 1.00 32.05 C ATOM 316 CD GLU A 20 5.266 8.412 -1.855 1.00 62.51 C ATOM 317 OE1 GLU A 20 5.464 8.384 -3.089 1.00 63.11 O ATOM 318 OE2 GLU A 20 5.894 9.197 -1.106 1.00 55.13 O ATOM 0 H GLU A 20 1.956 5.963 -2.535 1.00 12.43 H new ATOM 0 HA GLU A 20 1.958 6.726 0.217 1.00 21.21 H new ATOM 0 HB2 GLU A 20 2.536 8.249 -2.373 1.00 21.52 H new ATOM 0 HB3 GLU A 20 2.717 8.977 -0.789 1.00 21.52 H new ATOM 0 HG2 GLU A 20 4.452 7.304 -0.194 1.00 32.05 H new ATOM 0 HG3 GLU A 20 4.246 6.516 -1.746 1.00 32.05 H new ATOM 325 N ARG A 21 -0.463 7.933 -1.702 1.00 55.22 N ATOM 326 CA ARG A 21 -1.814 8.551 -1.698 1.00 3.41 C ATOM 327 C ARG A 21 -2.753 7.826 -0.706 1.00 22.20 C ATOM 328 O ARG A 21 -3.502 8.462 0.046 1.00 71.33 O ATOM 329 CB ARG A 21 -2.425 8.510 -3.127 1.00 11.00 C ATOM 330 CG ARG A 21 -1.652 9.332 -4.181 1.00 70.03 C ATOM 331 CD ARG A 21 -2.218 9.149 -5.602 1.00 34.15 C ATOM 332 NE ARG A 21 -3.628 9.575 -5.706 1.00 42.43 N ATOM 333 CZ ARG A 21 -4.524 9.084 -6.549 1.00 61.25 C ATOM 334 NH1 ARG A 21 -4.230 8.129 -7.386 1.00 34.10 N ATOM 335 NH2 ARG A 21 -5.727 9.556 -6.538 1.00 61.14 N ATOM 0 H ARG A 21 -0.187 7.564 -2.612 1.00 55.22 H new ATOM 0 HA ARG A 21 -1.711 9.588 -1.379 1.00 3.41 H new ATOM 0 HB2 ARG A 21 -2.472 7.473 -3.458 1.00 11.00 H new ATOM 0 HB3 ARG A 21 -3.450 8.877 -3.080 1.00 11.00 H new ATOM 0 HG2 ARG A 21 -1.688 10.388 -3.912 1.00 70.03 H new ATOM 0 HG3 ARG A 21 -0.603 9.036 -4.170 1.00 70.03 H new ATOM 0 HD2 ARG A 21 -1.615 9.722 -6.307 1.00 34.15 H new ATOM 0 HD3 ARG A 21 -2.136 8.101 -5.891 1.00 34.15 H new ATOM 0 HE ARG A 21 -3.939 10.312 -5.073 1.00 42.43 H new ATOM 0 HH11 ARG A 21 -3.288 7.739 -7.404 1.00 34.10 H new ATOM 0 HH12 ARG A 21 -4.942 7.772 -8.023 1.00 34.10 H new ATOM 0 HH21 ARG A 21 -5.978 10.298 -5.885 1.00 61.14 H new ATOM 0 HH22 ARG A 21 -6.426 9.186 -7.182 1.00 61.14 H new ATOM 349 N LYS A 22 -2.678 6.485 -0.710 1.00 4.34 N ATOM 350 CA LYS A 22 -3.494 5.622 0.168 1.00 60.10 C ATOM 351 C LYS A 22 -2.989 5.677 1.635 1.00 53.30 C ATOM 352 O LYS A 22 -3.792 5.756 2.580 1.00 53.10 O ATOM 353 CB LYS A 22 -3.465 4.171 -0.385 1.00 62.55 C ATOM 354 CG LYS A 22 -4.417 3.176 0.315 1.00 24.15 C ATOM 355 CD LYS A 22 -5.895 3.637 0.295 1.00 71.04 C ATOM 356 CE LYS A 22 -6.862 2.572 0.840 1.00 63.30 C ATOM 357 NZ LYS A 22 -8.238 3.108 1.014 1.00 50.01 N ATOM 0 H LYS A 22 -2.049 5.965 -1.322 1.00 4.34 H new ATOM 0 HA LYS A 22 -4.523 5.983 0.174 1.00 60.10 H new ATOM 0 HB2 LYS A 22 -3.713 4.200 -1.446 1.00 62.55 H new ATOM 0 HB3 LYS A 22 -2.447 3.790 -0.306 1.00 62.55 H new ATOM 0 HG2 LYS A 22 -4.339 2.204 -0.171 1.00 24.15 H new ATOM 0 HG3 LYS A 22 -4.098 3.042 1.349 1.00 24.15 H new ATOM 0 HD2 LYS A 22 -5.994 4.547 0.886 1.00 71.04 H new ATOM 0 HD3 LYS A 22 -6.178 3.888 -0.727 1.00 71.04 H new ATOM 0 HE2 LYS A 22 -6.887 1.722 0.158 1.00 63.30 H new ATOM 0 HE3 LYS A 22 -6.493 2.202 1.797 1.00 63.30 H new ATOM 0 HZ1 LYS A 22 -8.931 2.368 0.781 1.00 50.01 H new ATOM 0 HZ2 LYS A 22 -8.371 3.409 2.001 1.00 50.01 H new ATOM 0 HZ3 LYS A 22 -8.376 3.922 0.382 1.00 50.01 H new ATOM 371 N PHE A 23 -1.654 5.666 1.796 1.00 5.31 N ATOM 372 CA PHE A 23 -0.987 5.752 3.112 1.00 33.41 C ATOM 373 C PHE A 23 -1.268 7.100 3.812 1.00 14.24 C ATOM 374 O PHE A 23 -1.455 7.150 5.034 1.00 40.13 O ATOM 375 CB PHE A 23 0.544 5.539 2.957 1.00 54.12 C ATOM 376 CG PHE A 23 1.287 5.524 4.291 1.00 22.02 C ATOM 377 CD1 PHE A 23 1.206 4.418 5.130 1.00 62.44 C ATOM 378 CD2 PHE A 23 2.016 6.628 4.730 1.00 11.21 C ATOM 379 CE1 PHE A 23 1.835 4.405 6.350 1.00 60.33 C ATOM 380 CE2 PHE A 23 2.637 6.618 5.956 1.00 73.42 C ATOM 381 CZ PHE A 23 2.545 5.510 6.767 1.00 62.30 C ATOM 0 H PHE A 23 -1.002 5.597 1.014 1.00 5.31 H new ATOM 0 HA PHE A 23 -1.398 4.961 3.739 1.00 33.41 H new ATOM 0 HB2 PHE A 23 0.723 4.597 2.438 1.00 54.12 H new ATOM 0 HB3 PHE A 23 0.953 6.331 2.330 1.00 54.12 H new ATOM 0 HD1 PHE A 23 0.638 3.554 4.816 1.00 62.44 H new ATOM 0 HD2 PHE A 23 2.094 7.501 4.099 1.00 11.21 H new ATOM 0 HE1 PHE A 23 1.774 3.531 6.981 1.00 60.33 H new ATOM 0 HE2 PHE A 23 3.198 7.481 6.283 1.00 73.42 H new ATOM 0 HZ PHE A 23 3.030 5.506 7.732 1.00 62.30 H new ATOM 391 N SER A 24 -1.291 8.184 3.020 1.00 53.11 N ATOM 392 CA SER A 24 -1.575 9.553 3.511 1.00 60.02 C ATOM 393 C SER A 24 -2.974 9.662 4.157 1.00 41.52 C ATOM 394 O SER A 24 -3.216 10.538 4.994 1.00 52.05 O ATOM 395 CB SER A 24 -1.436 10.567 2.357 1.00 51.32 C ATOM 396 OG SER A 24 -1.707 11.900 2.778 1.00 72.25 O ATOM 0 H SER A 24 -1.113 8.141 2.017 1.00 53.11 H new ATOM 0 HA SER A 24 -0.844 9.783 4.286 1.00 60.02 H new ATOM 0 HB2 SER A 24 -0.427 10.515 1.949 1.00 51.32 H new ATOM 0 HB3 SER A 24 -2.120 10.296 1.553 1.00 51.32 H new ATOM 0 HG SER A 24 -1.606 12.510 2.018 1.00 72.25 H new ATOM 402 N HIS A 25 -3.894 8.770 3.754 1.00 23.33 N ATOM 403 CA HIS A 25 -5.246 8.688 4.341 1.00 24.11 C ATOM 404 C HIS A 25 -5.288 7.692 5.533 1.00 63.42 C ATOM 405 O HIS A 25 -5.935 7.966 6.550 1.00 22.11 O ATOM 406 CB HIS A 25 -6.263 8.268 3.248 1.00 42.44 C ATOM 407 CG HIS A 25 -6.460 9.280 2.134 1.00 74.10 C ATOM 408 ND1 HIS A 25 -7.648 9.428 1.455 1.00 62.02 N ATOM 409 CD2 HIS A 25 -5.611 10.179 1.572 1.00 63.14 C ATOM 410 CE1 HIS A 25 -7.520 10.362 0.536 1.00 43.42 C ATOM 411 NE2 HIS A 25 -6.296 10.836 0.587 1.00 64.31 N ATOM 0 H HIS A 25 -3.725 8.087 3.015 1.00 23.33 H new ATOM 0 HA HIS A 25 -5.514 9.672 4.726 1.00 24.11 H new ATOM 0 HB2 HIS A 25 -5.934 7.326 2.809 1.00 42.44 H new ATOM 0 HB3 HIS A 25 -7.226 8.079 3.722 1.00 42.44 H new ATOM 0 HD2 HIS A 25 -4.581 10.345 1.852 1.00 63.14 H new ATOM 0 HE1 HIS A 25 -8.293 10.685 -0.146 1.00 43.42 H new ATOM 0 HE2 HIS A 25 -5.919 11.572 -0.009 1.00 64.31 H new ATOM 420 N GLN A 26 -4.587 6.540 5.402 1.00 54.21 N ATOM 421 CA GLN A 26 -4.622 5.464 6.427 1.00 32.21 C ATOM 422 C GLN A 26 -3.290 4.656 6.508 1.00 30.15 C ATOM 423 O GLN A 26 -2.702 4.287 5.488 1.00 64.23 O ATOM 424 CB GLN A 26 -5.825 4.528 6.147 1.00 61.34 C ATOM 425 CG GLN A 26 -5.812 3.854 4.767 1.00 23.40 C ATOM 426 CD GLN A 26 -7.087 3.065 4.470 1.00 12.21 C ATOM 427 OE1 GLN A 26 -8.036 3.586 3.896 1.00 72.14 O ATOM 428 NE2 GLN A 26 -7.129 1.821 4.881 1.00 43.23 N ATOM 0 H GLN A 26 -3.992 6.331 4.600 1.00 54.21 H new ATOM 0 HA GLN A 26 -4.742 5.938 7.401 1.00 32.21 H new ATOM 0 HB2 GLN A 26 -5.850 3.753 6.913 1.00 61.34 H new ATOM 0 HB3 GLN A 26 -6.745 5.104 6.245 1.00 61.34 H new ATOM 0 HG2 GLN A 26 -5.677 4.616 3.999 1.00 23.40 H new ATOM 0 HG3 GLN A 26 -4.955 3.183 4.705 1.00 23.40 H new ATOM 0 HE21 GLN A 26 -6.324 1.413 5.356 1.00 43.23 H new ATOM 0 HE22 GLN A 26 -7.967 1.261 4.726 1.00 43.23 H new ATOM 437 N LYS A 27 -2.837 4.403 7.753 1.00 51.11 N ATOM 438 CA LYS A 27 -1.604 3.632 8.053 1.00 41.03 C ATOM 439 C LYS A 27 -1.803 2.117 7.806 1.00 31.24 C ATOM 440 O LYS A 27 -0.903 1.424 7.317 1.00 43.12 O ATOM 441 CB LYS A 27 -1.197 3.836 9.542 1.00 25.32 C ATOM 442 CG LYS A 27 -0.962 5.296 9.987 1.00 2.05 C ATOM 443 CD LYS A 27 0.115 6.014 9.146 1.00 14.30 C ATOM 444 CE LYS A 27 0.489 7.400 9.693 1.00 34.21 C ATOM 445 NZ LYS A 27 1.204 7.311 10.995 1.00 11.04 N ATOM 0 H LYS A 27 -3.319 4.730 8.590 1.00 51.11 H new ATOM 0 HA LYS A 27 -0.823 4.000 7.387 1.00 41.03 H new ATOM 0 HB2 LYS A 27 -1.975 3.406 10.173 1.00 25.32 H new ATOM 0 HB3 LYS A 27 -0.285 3.269 9.729 1.00 25.32 H new ATOM 0 HG2 LYS A 27 -1.899 5.848 9.915 1.00 2.05 H new ATOM 0 HG3 LYS A 27 -0.665 5.308 11.036 1.00 2.05 H new ATOM 0 HD2 LYS A 27 1.010 5.393 9.107 1.00 14.30 H new ATOM 0 HD3 LYS A 27 -0.244 6.120 8.122 1.00 14.30 H new ATOM 0 HE2 LYS A 27 1.118 7.918 8.969 1.00 34.21 H new ATOM 0 HE3 LYS A 27 -0.415 7.997 9.816 1.00 34.21 H new ATOM 0 HZ1 LYS A 27 1.199 8.242 11.458 1.00 11.04 H new ATOM 0 HZ2 LYS A 27 0.727 6.618 11.606 1.00 11.04 H new ATOM 0 HZ3 LYS A 27 2.186 7.011 10.832 1.00 11.04 H new ATOM 459 N TYR A 28 -2.980 1.618 8.213 1.00 63.52 N ATOM 460 CA TYR A 28 -3.365 0.195 8.097 1.00 62.43 C ATOM 461 C TYR A 28 -4.535 0.056 7.101 1.00 50.12 C ATOM 462 O TYR A 28 -5.464 0.873 7.118 1.00 71.22 O ATOM 463 CB TYR A 28 -3.800 -0.364 9.480 1.00 32.51 C ATOM 464 CG TYR A 28 -2.819 -0.091 10.635 1.00 55.13 C ATOM 465 CD1 TYR A 28 -1.770 -0.967 10.928 1.00 61.24 C ATOM 466 CD2 TYR A 28 -2.961 1.043 11.446 1.00 24.34 C ATOM 467 CE1 TYR A 28 -0.908 -0.720 11.979 1.00 21.23 C ATOM 468 CE2 TYR A 28 -2.107 1.290 12.494 1.00 1.34 C ATOM 469 CZ TYR A 28 -1.081 0.410 12.760 1.00 62.10 C ATOM 470 OH TYR A 28 -0.232 0.656 13.816 1.00 32.43 O ATOM 0 H TYR A 28 -3.704 2.196 8.639 1.00 63.52 H new ATOM 0 HA TYR A 28 -2.505 -0.372 7.740 1.00 62.43 H new ATOM 0 HB2 TYR A 28 -4.769 0.064 9.739 1.00 32.51 H new ATOM 0 HB3 TYR A 28 -3.941 -1.441 9.391 1.00 32.51 H new ATOM 0 HD1 TYR A 28 -1.631 -1.851 10.323 1.00 61.24 H new ATOM 0 HD2 TYR A 28 -3.761 1.740 11.243 1.00 24.34 H new ATOM 0 HE1 TYR A 28 -0.102 -1.406 12.191 1.00 21.23 H new ATOM 0 HE2 TYR A 28 -2.240 2.170 13.106 1.00 1.34 H new ATOM 0 HH TYR A 28 -0.493 1.491 14.258 1.00 32.43 H new ATOM 480 N LEU A 29 -4.491 -0.975 6.239 1.00 73.11 N ATOM 481 CA LEU A 29 -5.552 -1.233 5.232 1.00 12.00 C ATOM 482 C LEU A 29 -6.533 -2.323 5.704 1.00 14.03 C ATOM 483 O LEU A 29 -6.137 -3.272 6.387 1.00 33.11 O ATOM 484 CB LEU A 29 -4.904 -1.655 3.889 1.00 2.24 C ATOM 485 CG LEU A 29 -3.873 -0.657 3.285 1.00 41.31 C ATOM 486 CD1 LEU A 29 -3.292 -1.181 1.962 1.00 62.11 C ATOM 487 CD2 LEU A 29 -4.493 0.740 3.107 1.00 71.45 C ATOM 0 H LEU A 29 -3.728 -1.652 6.215 1.00 73.11 H new ATOM 0 HA LEU A 29 -6.119 -0.312 5.097 1.00 12.00 H new ATOM 0 HB2 LEU A 29 -4.409 -2.615 4.033 1.00 2.24 H new ATOM 0 HB3 LEU A 29 -5.698 -1.812 3.159 1.00 2.24 H new ATOM 0 HG LEU A 29 -3.048 -0.568 3.992 1.00 41.31 H new ATOM 0 HD11 LEU A 29 -2.576 -0.460 1.568 1.00 62.11 H new ATOM 0 HD12 LEU A 29 -2.790 -2.132 2.137 1.00 62.11 H new ATOM 0 HD13 LEU A 29 -4.098 -1.323 1.242 1.00 62.11 H new ATOM 0 HD21 LEU A 29 -3.750 1.416 2.684 1.00 71.45 H new ATOM 0 HD22 LEU A 29 -5.349 0.675 2.436 1.00 71.45 H new ATOM 0 HD23 LEU A 29 -4.819 1.119 4.075 1.00 71.45 H new ATOM 499 N SER A 30 -7.817 -2.193 5.323 1.00 24.52 N ATOM 500 CA SER A 30 -8.803 -3.282 5.509 1.00 52.13 C ATOM 501 C SER A 30 -8.502 -4.424 4.516 1.00 41.32 C ATOM 502 O SER A 30 -7.810 -4.207 3.517 1.00 21.34 O ATOM 503 CB SER A 30 -10.244 -2.768 5.293 1.00 2.24 C ATOM 504 OG SER A 30 -10.578 -1.723 6.193 1.00 34.31 O ATOM 0 H SER A 30 -8.197 -1.353 4.887 1.00 24.52 H new ATOM 0 HA SER A 30 -8.722 -3.651 6.531 1.00 52.13 H new ATOM 0 HB2 SER A 30 -10.352 -2.412 4.268 1.00 2.24 H new ATOM 0 HB3 SER A 30 -10.945 -3.593 5.419 1.00 2.24 H new ATOM 0 HG SER A 30 -10.368 -0.858 5.782 1.00 34.31 H new ATOM 510 N ALA A 31 -9.035 -5.631 4.787 1.00 74.34 N ATOM 511 CA ALA A 31 -8.858 -6.812 3.902 1.00 74.11 C ATOM 512 C ALA A 31 -9.297 -6.538 2.425 1.00 24.04 C ATOM 513 O ALA A 31 -8.552 -6.913 1.507 1.00 24.25 O ATOM 514 CB ALA A 31 -9.562 -8.053 4.497 1.00 22.32 C ATOM 0 H ALA A 31 -9.597 -5.820 5.617 1.00 74.34 H new ATOM 0 HA ALA A 31 -7.789 -7.021 3.856 1.00 74.11 H new ATOM 0 HB1 ALA A 31 -9.419 -8.905 3.833 1.00 22.32 H new ATOM 0 HB2 ALA A 31 -9.136 -8.279 5.474 1.00 22.32 H new ATOM 0 HB3 ALA A 31 -10.628 -7.850 4.604 1.00 22.32 H new ATOM 520 N PRO A 32 -10.491 -5.879 2.150 1.00 43.13 N ATOM 521 CA PRO A 32 -10.819 -5.409 0.785 1.00 32.20 C ATOM 522 C PRO A 32 -9.795 -4.379 0.235 1.00 20.22 C ATOM 523 O PRO A 32 -9.269 -4.572 -0.852 1.00 11.11 O ATOM 524 CB PRO A 32 -12.232 -4.783 0.936 1.00 22.04 C ATOM 525 CG PRO A 32 -12.388 -4.517 2.403 1.00 2.04 C ATOM 526 CD PRO A 32 -11.616 -5.611 3.094 1.00 14.23 C ATOM 0 HA PRO A 32 -10.787 -6.224 0.061 1.00 32.20 H new ATOM 0 HB2 PRO A 32 -12.319 -3.863 0.357 1.00 22.04 H new ATOM 0 HB3 PRO A 32 -13.004 -5.462 0.574 1.00 22.04 H new ATOM 0 HG2 PRO A 32 -11.998 -3.534 2.667 1.00 2.04 H new ATOM 0 HG3 PRO A 32 -13.438 -4.533 2.695 1.00 2.04 H new ATOM 0 HD2 PRO A 32 -11.255 -5.293 4.072 1.00 14.23 H new ATOM 0 HD3 PRO A 32 -12.229 -6.498 3.253 1.00 14.23 H new ATOM 534 N GLU A 33 -9.484 -3.319 1.010 1.00 54.15 N ATOM 535 CA GLU A 33 -8.646 -2.183 0.530 1.00 73.32 C ATOM 536 C GLU A 33 -7.192 -2.593 0.184 1.00 43.14 C ATOM 537 O GLU A 33 -6.596 -2.029 -0.733 1.00 41.10 O ATOM 538 CB GLU A 33 -8.632 -1.049 1.591 1.00 31.10 C ATOM 539 CG GLU A 33 -10.021 -0.452 1.900 1.00 50.13 C ATOM 540 CD GLU A 33 -9.979 0.642 2.975 1.00 63.52 C ATOM 541 OE1 GLU A 33 -9.693 0.318 4.145 1.00 45.33 O ATOM 542 OE2 GLU A 33 -10.219 1.828 2.656 1.00 51.24 O ATOM 0 H GLU A 33 -9.799 -3.220 1.975 1.00 54.15 H new ATOM 0 HA GLU A 33 -9.102 -1.832 -0.396 1.00 73.32 H new ATOM 0 HB2 GLU A 33 -8.202 -1.437 2.515 1.00 31.10 H new ATOM 0 HB3 GLU A 33 -7.975 -0.251 1.244 1.00 31.10 H new ATOM 0 HG2 GLU A 33 -10.444 -0.038 0.985 1.00 50.13 H new ATOM 0 HG3 GLU A 33 -10.688 -1.249 2.227 1.00 50.13 H new ATOM 549 N ARG A 34 -6.638 -3.569 0.927 1.00 33.42 N ATOM 550 CA ARG A 34 -5.265 -4.073 0.698 1.00 22.54 C ATOM 551 C ARG A 34 -5.209 -4.964 -0.559 1.00 34.43 C ATOM 552 O ARG A 34 -4.273 -4.867 -1.358 1.00 54.14 O ATOM 553 CB ARG A 34 -4.769 -4.856 1.940 1.00 11.32 C ATOM 554 CG ARG A 34 -3.290 -5.309 1.876 1.00 50.32 C ATOM 555 CD ARG A 34 -2.882 -6.148 3.099 1.00 44.50 C ATOM 556 NE ARG A 34 -3.740 -7.336 3.242 1.00 33.51 N ATOM 557 CZ ARG A 34 -4.383 -7.706 4.335 1.00 71.04 C ATOM 558 NH1 ARG A 34 -4.301 -7.022 5.437 1.00 11.52 N ATOM 559 NH2 ARG A 34 -5.134 -8.756 4.299 1.00 1.11 N ATOM 0 H ARG A 34 -7.122 -4.029 1.698 1.00 33.42 H new ATOM 0 HA ARG A 34 -4.608 -3.219 0.536 1.00 22.54 H new ATOM 0 HB2 ARG A 34 -4.905 -4.232 2.823 1.00 11.32 H new ATOM 0 HB3 ARG A 34 -5.398 -5.736 2.072 1.00 11.32 H new ATOM 0 HG2 ARG A 34 -3.130 -5.892 0.969 1.00 50.32 H new ATOM 0 HG3 ARG A 34 -2.646 -4.432 1.809 1.00 50.32 H new ATOM 0 HD2 ARG A 34 -1.842 -6.458 3.000 1.00 44.50 H new ATOM 0 HD3 ARG A 34 -2.948 -5.538 4.000 1.00 44.50 H new ATOM 0 HE ARG A 34 -3.848 -7.929 2.419 1.00 33.51 H new ATOM 0 HH11 ARG A 34 -3.730 -6.178 5.472 1.00 11.52 H new ATOM 0 HH12 ARG A 34 -4.808 -7.330 6.267 1.00 11.52 H new ATOM 0 HH21 ARG A 34 -5.225 -9.288 3.434 1.00 1.11 H new ATOM 0 HH22 ARG A 34 -5.636 -9.053 5.136 1.00 1.11 H new ATOM 573 N ALA A 35 -6.232 -5.828 -0.714 1.00 71.44 N ATOM 574 CA ALA A 35 -6.390 -6.713 -1.888 1.00 21.13 C ATOM 575 C ALA A 35 -6.662 -5.907 -3.185 1.00 20.53 C ATOM 576 O ALA A 35 -6.118 -6.223 -4.256 1.00 60.53 O ATOM 577 CB ALA A 35 -7.521 -7.722 -1.619 1.00 4.44 C ATOM 0 H ALA A 35 -6.977 -5.933 -0.025 1.00 71.44 H new ATOM 0 HA ALA A 35 -5.455 -7.252 -2.042 1.00 21.13 H new ATOM 0 HB1 ALA A 35 -7.639 -8.375 -2.483 1.00 4.44 H new ATOM 0 HB2 ALA A 35 -7.273 -8.321 -0.743 1.00 4.44 H new ATOM 0 HB3 ALA A 35 -8.453 -7.185 -1.440 1.00 4.44 H new ATOM 583 N HIS A 36 -7.494 -4.854 -3.063 1.00 32.12 N ATOM 584 CA HIS A 36 -7.839 -3.953 -4.183 1.00 52.22 C ATOM 585 C HIS A 36 -6.614 -3.127 -4.618 1.00 34.21 C ATOM 586 O HIS A 36 -6.304 -3.076 -5.798 1.00 2.04 O ATOM 587 CB HIS A 36 -9.024 -3.017 -3.810 1.00 74.14 C ATOM 588 CG HIS A 36 -10.379 -3.696 -3.731 1.00 62.31 C ATOM 589 ND1 HIS A 36 -11.571 -3.033 -3.935 1.00 2.15 N ATOM 590 CD2 HIS A 36 -10.722 -4.981 -3.467 1.00 25.12 C ATOM 591 CE1 HIS A 36 -12.573 -3.876 -3.801 1.00 34.12 C ATOM 592 NE2 HIS A 36 -12.087 -5.062 -3.518 1.00 21.11 N ATOM 0 H HIS A 36 -7.947 -4.603 -2.184 1.00 32.12 H new ATOM 0 HA HIS A 36 -8.152 -4.574 -5.023 1.00 52.22 H new ATOM 0 HB2 HIS A 36 -8.811 -2.552 -2.847 1.00 74.14 H new ATOM 0 HB3 HIS A 36 -9.079 -2.215 -4.546 1.00 74.14 H new ATOM 0 HD2 HIS A 36 -10.042 -5.793 -3.255 1.00 25.12 H new ATOM 0 HE1 HIS A 36 -13.620 -3.633 -3.906 1.00 34.12 H new ATOM 0 HE2 HIS A 36 -12.637 -5.906 -3.362 1.00 21.11 H new ATOM 601 N LEU A 37 -5.913 -2.511 -3.643 1.00 11.54 N ATOM 602 CA LEU A 37 -4.689 -1.707 -3.907 1.00 64.33 C ATOM 603 C LEU A 37 -3.567 -2.588 -4.515 1.00 53.01 C ATOM 604 O LEU A 37 -2.814 -2.144 -5.395 1.00 75.43 O ATOM 605 CB LEU A 37 -4.207 -1.031 -2.596 1.00 10.31 C ATOM 606 CG LEU A 37 -2.969 -0.082 -2.705 1.00 62.50 C ATOM 607 CD1 LEU A 37 -3.236 1.121 -3.639 1.00 33.32 C ATOM 608 CD2 LEU A 37 -2.510 0.382 -1.310 1.00 4.44 C ATOM 0 H LEU A 37 -6.172 -2.553 -2.657 1.00 11.54 H new ATOM 0 HA LEU A 37 -4.933 -0.932 -4.633 1.00 64.33 H new ATOM 0 HB2 LEU A 37 -5.038 -0.459 -2.184 1.00 10.31 H new ATOM 0 HB3 LEU A 37 -3.971 -1.815 -1.876 1.00 10.31 H new ATOM 0 HG LEU A 37 -2.160 -0.656 -3.156 1.00 62.50 H new ATOM 0 HD11 LEU A 37 -2.348 1.752 -3.683 1.00 33.32 H new ATOM 0 HD12 LEU A 37 -3.474 0.759 -4.639 1.00 33.32 H new ATOM 0 HD13 LEU A 37 -4.074 1.701 -3.254 1.00 33.32 H new ATOM 0 HD21 LEU A 37 -1.648 1.041 -1.411 1.00 4.44 H new ATOM 0 HD22 LEU A 37 -3.322 0.919 -0.820 1.00 4.44 H new ATOM 0 HD23 LEU A 37 -2.235 -0.486 -0.710 1.00 4.44 H new ATOM 620 N ALA A 38 -3.499 -3.850 -4.044 1.00 21.54 N ATOM 621 CA ALA A 38 -2.573 -4.865 -4.574 1.00 74.30 C ATOM 622 C ALA A 38 -2.848 -5.152 -6.070 1.00 4.20 C ATOM 623 O ALA A 38 -1.932 -5.093 -6.881 1.00 44.33 O ATOM 624 CB ALA A 38 -2.646 -6.159 -3.743 1.00 22.51 C ATOM 0 H ALA A 38 -4.087 -4.192 -3.284 1.00 21.54 H new ATOM 0 HA ALA A 38 -1.562 -4.466 -4.495 1.00 74.30 H new ATOM 0 HB1 ALA A 38 -1.954 -6.894 -4.153 1.00 22.51 H new ATOM 0 HB2 ALA A 38 -2.376 -5.943 -2.709 1.00 22.51 H new ATOM 0 HB3 ALA A 38 -3.660 -6.557 -3.778 1.00 22.51 H new ATOM 630 N LYS A 39 -4.123 -5.430 -6.442 1.00 34.21 N ATOM 631 CA LYS A 39 -4.478 -5.747 -7.857 1.00 73.51 C ATOM 632 C LYS A 39 -4.444 -4.495 -8.783 1.00 5.22 C ATOM 633 O LYS A 39 -4.193 -4.627 -9.994 1.00 25.41 O ATOM 634 CB LYS A 39 -5.848 -6.477 -7.955 1.00 74.44 C ATOM 635 CG LYS A 39 -7.093 -5.631 -7.596 1.00 30.40 C ATOM 636 CD LYS A 39 -8.418 -6.426 -7.708 1.00 23.11 C ATOM 637 CE LYS A 39 -8.738 -6.883 -9.146 1.00 11.14 C ATOM 638 NZ LYS A 39 -8.952 -5.738 -10.076 1.00 43.31 N ATOM 0 H LYS A 39 -4.913 -5.442 -5.797 1.00 34.21 H new ATOM 0 HA LYS A 39 -3.706 -6.427 -8.218 1.00 73.51 H new ATOM 0 HB2 LYS A 39 -5.967 -6.849 -8.972 1.00 74.44 H new ATOM 0 HB3 LYS A 39 -5.822 -7.347 -7.298 1.00 74.44 H new ATOM 0 HG2 LYS A 39 -6.988 -5.253 -6.579 1.00 30.40 H new ATOM 0 HG3 LYS A 39 -7.139 -4.764 -8.255 1.00 30.40 H new ATOM 0 HD2 LYS A 39 -8.364 -7.301 -7.060 1.00 23.11 H new ATOM 0 HD3 LYS A 39 -9.237 -5.807 -7.341 1.00 23.11 H new ATOM 0 HE2 LYS A 39 -7.920 -7.500 -9.518 1.00 11.14 H new ATOM 0 HE3 LYS A 39 -9.630 -7.509 -9.135 1.00 11.14 H new ATOM 0 HZ1 LYS A 39 -9.246 -6.097 -11.007 1.00 43.31 H new ATOM 0 HZ2 LYS A 39 -9.693 -5.115 -9.695 1.00 43.31 H new ATOM 0 HZ3 LYS A 39 -8.066 -5.202 -10.176 1.00 43.31 H new ATOM 652 N ASN A 40 -4.675 -3.289 -8.206 1.00 50.51 N ATOM 653 CA ASN A 40 -4.560 -1.993 -8.938 1.00 21.30 C ATOM 654 C ASN A 40 -3.115 -1.756 -9.428 1.00 42.34 C ATOM 655 O ASN A 40 -2.885 -1.156 -10.483 1.00 22.41 O ATOM 656 CB ASN A 40 -4.997 -0.785 -8.050 1.00 44.03 C ATOM 657 CG ASN A 40 -6.487 -0.771 -7.710 1.00 41.33 C ATOM 658 OD1 ASN A 40 -7.319 -1.244 -8.471 1.00 54.24 O ATOM 659 ND2 ASN A 40 -6.840 -0.214 -6.563 1.00 23.31 N ATOM 0 H ASN A 40 -4.944 -3.183 -7.228 1.00 50.51 H new ATOM 0 HA ASN A 40 -5.229 -2.061 -9.796 1.00 21.30 H new ATOM 0 HB2 ASN A 40 -4.423 -0.802 -7.123 1.00 44.03 H new ATOM 0 HB3 ASN A 40 -4.743 0.142 -8.565 1.00 44.03 H new ATOM 0 HD21 ASN A 40 -7.824 -0.173 -6.298 1.00 23.31 H new ATOM 0 HD22 ASN A 40 -6.128 0.174 -5.944 1.00 23.31 H new ATOM 666 N LEU A 41 -2.149 -2.207 -8.617 1.00 51.04 N ATOM 667 CA LEU A 41 -0.706 -2.049 -8.890 1.00 34.03 C ATOM 668 C LEU A 41 -0.020 -3.400 -9.227 1.00 64.10 C ATOM 669 O LEU A 41 1.200 -3.447 -9.371 1.00 5.13 O ATOM 670 CB LEU A 41 -0.059 -1.382 -7.647 1.00 23.24 C ATOM 671 CG LEU A 41 -0.653 0.007 -7.251 1.00 73.02 C ATOM 672 CD1 LEU A 41 -0.051 0.527 -5.934 1.00 63.11 C ATOM 673 CD2 LEU A 41 -0.481 1.030 -8.395 1.00 64.41 C ATOM 0 H LEU A 41 -2.344 -2.697 -7.744 1.00 51.04 H new ATOM 0 HA LEU A 41 -0.571 -1.421 -9.771 1.00 34.03 H new ATOM 0 HB2 LEU A 41 -0.161 -2.058 -6.798 1.00 23.24 H new ATOM 0 HB3 LEU A 41 1.008 -1.263 -7.833 1.00 23.24 H new ATOM 0 HG LEU A 41 -1.722 -0.127 -7.084 1.00 73.02 H new ATOM 0 HD11 LEU A 41 -0.489 1.495 -5.691 1.00 63.11 H new ATOM 0 HD12 LEU A 41 -0.265 -0.179 -5.132 1.00 63.11 H new ATOM 0 HD13 LEU A 41 1.028 0.634 -6.044 1.00 63.11 H new ATOM 0 HD21 LEU A 41 -0.903 1.988 -8.093 1.00 64.41 H new ATOM 0 HD22 LEU A 41 0.579 1.154 -8.616 1.00 64.41 H new ATOM 0 HD23 LEU A 41 -0.997 0.671 -9.285 1.00 64.41 H new ATOM 685 N LYS A 42 -0.815 -4.492 -9.350 1.00 61.44 N ATOM 686 CA LYS A 42 -0.315 -5.866 -9.668 1.00 64.32 C ATOM 687 C LYS A 42 0.758 -6.376 -8.644 1.00 31.43 C ATOM 688 O LYS A 42 1.584 -7.241 -8.959 1.00 41.43 O ATOM 689 CB LYS A 42 0.194 -5.922 -11.141 1.00 40.35 C ATOM 690 CG LYS A 42 -0.885 -5.600 -12.209 1.00 15.51 C ATOM 691 CD LYS A 42 -1.978 -6.690 -12.328 1.00 43.15 C ATOM 692 CE LYS A 42 -3.073 -6.339 -13.363 1.00 40.14 C ATOM 693 NZ LYS A 42 -3.894 -5.161 -12.952 1.00 65.43 N ATOM 0 H LYS A 42 -1.827 -4.451 -9.232 1.00 61.44 H new ATOM 0 HA LYS A 42 -1.153 -6.556 -9.570 1.00 64.32 H new ATOM 0 HB2 LYS A 42 1.019 -5.219 -11.254 1.00 40.35 H new ATOM 0 HB3 LYS A 42 0.594 -6.917 -11.336 1.00 40.35 H new ATOM 0 HG2 LYS A 42 -1.357 -4.649 -11.963 1.00 15.51 H new ATOM 0 HG3 LYS A 42 -0.401 -5.474 -13.177 1.00 15.51 H new ATOM 0 HD2 LYS A 42 -1.512 -7.635 -12.607 1.00 43.15 H new ATOM 0 HD3 LYS A 42 -2.442 -6.839 -11.353 1.00 43.15 H new ATOM 0 HE2 LYS A 42 -2.605 -6.133 -14.326 1.00 40.14 H new ATOM 0 HE3 LYS A 42 -3.725 -7.201 -13.503 1.00 40.14 H new ATOM 0 HZ1 LYS A 42 -4.864 -5.272 -13.310 1.00 65.43 H new ATOM 0 HZ2 LYS A 42 -3.913 -5.096 -11.914 1.00 65.43 H new ATOM 0 HZ3 LYS A 42 -3.477 -4.293 -13.345 1.00 65.43 H new ATOM 707 N LEU A 43 0.691 -5.832 -7.410 1.00 51.54 N ATOM 708 CA LEU A 43 1.533 -6.237 -6.254 1.00 10.11 C ATOM 709 C LEU A 43 0.841 -7.342 -5.418 1.00 72.54 C ATOM 710 O LEU A 43 -0.304 -7.709 -5.675 1.00 12.42 O ATOM 711 CB LEU A 43 1.812 -5.004 -5.340 1.00 21.15 C ATOM 712 CG LEU A 43 2.631 -3.846 -5.976 1.00 23.22 C ATOM 713 CD1 LEU A 43 2.705 -2.629 -5.031 1.00 73.51 C ATOM 714 CD2 LEU A 43 4.039 -4.325 -6.392 1.00 23.12 C ATOM 0 H LEU A 43 0.038 -5.083 -7.180 1.00 51.54 H new ATOM 0 HA LEU A 43 2.471 -6.630 -6.645 1.00 10.11 H new ATOM 0 HB2 LEU A 43 0.855 -4.603 -5.005 1.00 21.15 H new ATOM 0 HB3 LEU A 43 2.341 -5.349 -4.452 1.00 21.15 H new ATOM 0 HG LEU A 43 2.111 -3.526 -6.879 1.00 23.22 H new ATOM 0 HD11 LEU A 43 3.284 -1.836 -5.504 1.00 73.51 H new ATOM 0 HD12 LEU A 43 1.698 -2.268 -4.823 1.00 73.51 H new ATOM 0 HD13 LEU A 43 3.186 -2.922 -4.097 1.00 73.51 H new ATOM 0 HD21 LEU A 43 4.590 -3.495 -6.834 1.00 23.12 H new ATOM 0 HD22 LEU A 43 4.573 -4.689 -5.515 1.00 23.12 H new ATOM 0 HD23 LEU A 43 3.949 -5.130 -7.122 1.00 23.12 H new ATOM 726 N THR A 44 1.541 -7.837 -4.390 1.00 11.32 N ATOM 727 CA THR A 44 0.982 -8.810 -3.422 1.00 54.11 C ATOM 728 C THR A 44 0.592 -8.079 -2.126 1.00 51.53 C ATOM 729 O THR A 44 1.253 -7.109 -1.748 1.00 71.14 O ATOM 730 CB THR A 44 2.008 -9.933 -3.069 1.00 40.13 C ATOM 731 OG1 THR A 44 3.214 -9.346 -2.548 1.00 53.33 O ATOM 732 CG2 THR A 44 2.333 -10.820 -4.283 1.00 64.51 C ATOM 0 H THR A 44 2.509 -7.580 -4.199 1.00 11.32 H new ATOM 0 HA THR A 44 0.110 -9.271 -3.886 1.00 54.11 H new ATOM 0 HB THR A 44 1.553 -10.571 -2.312 1.00 40.13 H new ATOM 0 HG1 THR A 44 3.759 -9.007 -3.288 1.00 53.33 H new ATOM 0 HG21 THR A 44 3.050 -11.587 -3.991 1.00 64.51 H new ATOM 0 HG22 THR A 44 1.420 -11.295 -4.642 1.00 64.51 H new ATOM 0 HG23 THR A 44 2.760 -10.208 -5.077 1.00 64.51 H new ATOM 740 N GLU A 45 -0.467 -8.568 -1.449 1.00 4.30 N ATOM 741 CA GLU A 45 -0.920 -8.040 -0.135 1.00 11.11 C ATOM 742 C GLU A 45 0.206 -8.063 0.929 1.00 53.14 C ATOM 743 O GLU A 45 0.217 -7.231 1.841 1.00 25.41 O ATOM 744 CB GLU A 45 -2.144 -8.847 0.377 1.00 35.23 C ATOM 745 CG GLU A 45 -3.411 -8.730 -0.491 1.00 55.35 C ATOM 746 CD GLU A 45 -4.615 -9.478 0.116 1.00 44.42 C ATOM 747 OE1 GLU A 45 -5.143 -9.018 1.153 1.00 64.25 O ATOM 748 OE2 GLU A 45 -5.024 -10.533 -0.419 1.00 70.24 O ATOM 0 H GLU A 45 -1.036 -9.341 -1.794 1.00 4.30 H new ATOM 0 HA GLU A 45 -1.205 -6.999 -0.290 1.00 11.11 H new ATOM 0 HB2 GLU A 45 -1.864 -9.898 0.445 1.00 35.23 H new ATOM 0 HB3 GLU A 45 -2.382 -8.515 1.387 1.00 35.23 H new ATOM 0 HG2 GLU A 45 -3.666 -7.678 -0.615 1.00 55.35 H new ATOM 0 HG3 GLU A 45 -3.204 -9.127 -1.485 1.00 55.35 H new ATOM 755 N THR A 46 1.139 -9.027 0.793 1.00 20.22 N ATOM 756 CA THR A 46 2.347 -9.117 1.635 1.00 2.23 C ATOM 757 C THR A 46 3.257 -7.879 1.426 1.00 31.12 C ATOM 758 O THR A 46 3.555 -7.174 2.386 1.00 72.50 O ATOM 759 CB THR A 46 3.155 -10.428 1.333 1.00 15.23 C ATOM 760 OG1 THR A 46 2.317 -11.582 1.537 1.00 11.41 O ATOM 761 CG2 THR A 46 4.415 -10.563 2.212 1.00 23.04 C ATOM 0 H THR A 46 1.075 -9.767 0.094 1.00 20.22 H new ATOM 0 HA THR A 46 2.020 -9.145 2.674 1.00 2.23 H new ATOM 0 HB THR A 46 3.477 -10.367 0.293 1.00 15.23 H new ATOM 0 HG1 THR A 46 2.828 -12.396 1.345 1.00 11.41 H new ATOM 0 HG21 THR A 46 4.936 -11.487 1.962 1.00 23.04 H new ATOM 0 HG22 THR A 46 5.075 -9.714 2.034 1.00 23.04 H new ATOM 0 HG23 THR A 46 4.125 -10.583 3.263 1.00 23.04 H new ATOM 769 N GLN A 47 3.662 -7.611 0.159 1.00 41.30 N ATOM 770 CA GLN A 47 4.538 -6.458 -0.186 1.00 24.44 C ATOM 771 C GLN A 47 3.888 -5.096 0.153 1.00 23.32 C ATOM 772 O GLN A 47 4.582 -4.179 0.581 1.00 53.22 O ATOM 773 CB GLN A 47 4.918 -6.469 -1.689 1.00 51.11 C ATOM 774 CG GLN A 47 5.876 -7.592 -2.127 1.00 4.15 C ATOM 775 CD GLN A 47 6.369 -7.457 -3.580 1.00 61.41 C ATOM 776 OE1 GLN A 47 7.470 -7.881 -3.913 1.00 52.41 O ATOM 777 NE2 GLN A 47 5.570 -6.864 -4.464 1.00 11.43 N ATOM 0 H GLN A 47 3.395 -8.179 -0.645 1.00 41.30 H new ATOM 0 HA GLN A 47 5.435 -6.574 0.423 1.00 24.44 H new ATOM 0 HB2 GLN A 47 4.003 -6.548 -2.276 1.00 51.11 H new ATOM 0 HB3 GLN A 47 5.374 -5.510 -1.937 1.00 51.11 H new ATOM 0 HG2 GLN A 47 6.738 -7.602 -1.460 1.00 4.15 H new ATOM 0 HG3 GLN A 47 5.373 -8.552 -2.012 1.00 4.15 H new ATOM 0 HE21 GLN A 47 4.656 -6.516 -4.173 1.00 11.43 H new ATOM 0 HE22 GLN A 47 5.871 -6.758 -5.433 1.00 11.43 H new ATOM 786 N VAL A 48 2.571 -4.973 -0.085 1.00 31.24 N ATOM 787 CA VAL A 48 1.797 -3.761 0.262 1.00 14.13 C ATOM 788 C VAL A 48 1.816 -3.515 1.797 1.00 51.23 C ATOM 789 O VAL A 48 2.061 -2.399 2.247 1.00 52.33 O ATOM 790 CB VAL A 48 0.318 -3.868 -0.274 1.00 22.24 C ATOM 791 CG1 VAL A 48 -0.548 -2.664 0.158 1.00 52.45 C ATOM 792 CG2 VAL A 48 0.299 -4.024 -1.816 1.00 25.40 C ATOM 0 H VAL A 48 2.012 -5.706 -0.521 1.00 31.24 H new ATOM 0 HA VAL A 48 2.269 -2.906 -0.222 1.00 14.13 H new ATOM 0 HB VAL A 48 -0.118 -4.760 0.175 1.00 22.24 H new ATOM 0 HG11 VAL A 48 -1.558 -2.783 -0.235 1.00 52.45 H new ATOM 0 HG12 VAL A 48 -0.585 -2.615 1.246 1.00 52.45 H new ATOM 0 HG13 VAL A 48 -0.113 -1.744 -0.232 1.00 52.45 H new ATOM 0 HG21 VAL A 48 -0.732 -4.096 -2.162 1.00 25.40 H new ATOM 0 HG22 VAL A 48 0.776 -3.158 -2.275 1.00 25.40 H new ATOM 0 HG23 VAL A 48 0.840 -4.928 -2.097 1.00 25.40 H new ATOM 802 N LYS A 49 1.602 -4.592 2.577 1.00 41.23 N ATOM 803 CA LYS A 49 1.670 -4.564 4.064 1.00 0.21 C ATOM 804 C LYS A 49 3.095 -4.186 4.575 1.00 35.02 C ATOM 805 O LYS A 49 3.235 -3.432 5.546 1.00 20.42 O ATOM 806 CB LYS A 49 1.252 -5.954 4.609 1.00 25.21 C ATOM 807 CG LYS A 49 1.252 -6.107 6.147 1.00 60.30 C ATOM 808 CD LYS A 49 1.041 -7.581 6.588 1.00 1.01 C ATOM 809 CE LYS A 49 2.153 -8.523 6.073 1.00 33.25 C ATOM 810 NZ LYS A 49 1.892 -9.953 6.410 1.00 34.41 N ATOM 0 H LYS A 49 1.376 -5.512 2.199 1.00 41.23 H new ATOM 0 HA LYS A 49 0.988 -3.796 4.429 1.00 0.21 H new ATOM 0 HB2 LYS A 49 0.251 -6.180 4.241 1.00 25.21 H new ATOM 0 HB3 LYS A 49 1.923 -6.704 4.189 1.00 25.21 H new ATOM 0 HG2 LYS A 49 2.198 -5.741 6.547 1.00 60.30 H new ATOM 0 HG3 LYS A 49 0.464 -5.486 6.573 1.00 60.30 H new ATOM 0 HD2 LYS A 49 1.005 -7.629 7.676 1.00 1.01 H new ATOM 0 HD3 LYS A 49 0.076 -7.931 6.222 1.00 1.01 H new ATOM 0 HE2 LYS A 49 2.241 -8.418 4.992 1.00 33.25 H new ATOM 0 HE3 LYS A 49 3.108 -8.221 6.502 1.00 33.25 H new ATOM 0 HZ1 LYS A 49 2.666 -10.543 6.043 1.00 34.41 H new ATOM 0 HZ2 LYS A 49 1.834 -10.061 7.443 1.00 34.41 H new ATOM 0 HZ3 LYS A 49 0.994 -10.253 5.979 1.00 34.41 H new ATOM 824 N ILE A 50 4.137 -4.720 3.896 1.00 24.32 N ATOM 825 CA ILE A 50 5.563 -4.427 4.202 1.00 72.20 C ATOM 826 C ILE A 50 5.923 -2.958 3.862 1.00 13.23 C ATOM 827 O ILE A 50 6.625 -2.293 4.629 1.00 73.23 O ATOM 828 CB ILE A 50 6.526 -5.415 3.432 1.00 31.44 C ATOM 829 CG1 ILE A 50 6.308 -6.884 3.919 1.00 42.11 C ATOM 830 CG2 ILE A 50 8.015 -4.999 3.573 1.00 13.14 C ATOM 831 CD1 ILE A 50 7.106 -7.936 3.163 1.00 61.12 C ATOM 0 H ILE A 50 4.015 -5.368 3.118 1.00 24.32 H new ATOM 0 HA ILE A 50 5.700 -4.574 5.273 1.00 72.20 H new ATOM 0 HB ILE A 50 6.276 -5.359 2.373 1.00 31.44 H new ATOM 0 HG12 ILE A 50 6.567 -6.943 4.976 1.00 42.11 H new ATOM 0 HG13 ILE A 50 5.248 -7.125 3.837 1.00 42.11 H new ATOM 0 HG21 ILE A 50 8.643 -5.705 3.029 1.00 13.14 H new ATOM 0 HG22 ILE A 50 8.154 -3.999 3.163 1.00 13.14 H new ATOM 0 HG23 ILE A 50 8.295 -5.001 4.626 1.00 13.14 H new ATOM 0 HD11 ILE A 50 6.888 -8.922 3.573 1.00 61.12 H new ATOM 0 HD12 ILE A 50 6.831 -7.913 2.108 1.00 61.12 H new ATOM 0 HD13 ILE A 50 8.171 -7.728 3.265 1.00 61.12 H new ATOM 843 N TRP A 51 5.433 -2.463 2.712 1.00 3.20 N ATOM 844 CA TRP A 51 5.641 -1.065 2.284 1.00 72.10 C ATOM 845 C TRP A 51 5.047 -0.107 3.345 1.00 2.10 C ATOM 846 O TRP A 51 5.753 0.750 3.883 1.00 63.11 O ATOM 847 CB TRP A 51 5.001 -0.828 0.885 1.00 74.02 C ATOM 848 CG TRP A 51 5.337 0.513 0.255 1.00 24.34 C ATOM 849 CD1 TRP A 51 6.351 0.787 -0.626 1.00 22.03 C ATOM 850 CD2 TRP A 51 4.661 1.758 0.471 1.00 71.41 C ATOM 851 NE1 TRP A 51 6.334 2.115 -0.969 1.00 20.35 N ATOM 852 CE2 TRP A 51 5.311 2.731 -0.304 1.00 45.41 C ATOM 853 CE3 TRP A 51 3.577 2.141 1.256 1.00 21.21 C ATOM 854 CZ2 TRP A 51 4.895 4.054 -0.322 1.00 61.10 C ATOM 855 CZ3 TRP A 51 3.168 3.450 1.243 1.00 30.55 C ATOM 856 CH2 TRP A 51 3.828 4.396 0.461 1.00 31.00 C ATOM 0 H TRP A 51 4.884 -3.016 2.054 1.00 3.20 H new ATOM 0 HA TRP A 51 6.709 -0.865 2.197 1.00 72.10 H new ATOM 0 HB2 TRP A 51 5.325 -1.622 0.212 1.00 74.02 H new ATOM 0 HB3 TRP A 51 3.918 -0.910 0.977 1.00 74.02 H new ATOM 0 HD1 TRP A 51 7.061 0.062 -0.996 1.00 22.03 H new ATOM 0 HE1 TRP A 51 6.980 2.569 -1.615 1.00 20.35 H new ATOM 0 HE3 TRP A 51 3.063 1.415 1.869 1.00 21.21 H new ATOM 0 HZ2 TRP A 51 5.397 4.789 -0.934 1.00 61.10 H new ATOM 0 HZ3 TRP A 51 2.324 3.751 1.846 1.00 30.55 H new ATOM 0 HH2 TRP A 51 3.489 5.421 0.474 1.00 31.00 H new ATOM 867 N PHE A 52 3.751 -0.316 3.656 1.00 54.24 N ATOM 868 CA PHE A 52 3.034 0.411 4.728 1.00 60.45 C ATOM 869 C PHE A 52 3.733 0.260 6.111 1.00 24.33 C ATOM 870 O PHE A 52 3.705 1.188 6.907 1.00 74.32 O ATOM 871 CB PHE A 52 1.537 -0.040 4.789 1.00 63.11 C ATOM 872 CG PHE A 52 0.634 0.628 3.727 1.00 50.24 C ATOM 873 CD1 PHE A 52 0.838 0.418 2.362 1.00 14.22 C ATOM 874 CD2 PHE A 52 -0.406 1.482 4.097 1.00 4.15 C ATOM 875 CE1 PHE A 52 0.048 1.041 1.412 1.00 72.22 C ATOM 876 CE2 PHE A 52 -1.197 2.101 3.146 1.00 42.23 C ATOM 877 CZ PHE A 52 -0.972 1.880 1.804 1.00 11.33 C ATOM 0 H PHE A 52 3.168 -0.997 3.169 1.00 54.24 H new ATOM 0 HA PHE A 52 3.062 1.472 4.482 1.00 60.45 H new ATOM 0 HB2 PHE A 52 1.489 -1.122 4.663 1.00 63.11 H new ATOM 0 HB3 PHE A 52 1.141 0.183 5.780 1.00 63.11 H new ATOM 0 HD1 PHE A 52 1.628 -0.244 2.041 1.00 14.22 H new ATOM 0 HD2 PHE A 52 -0.597 1.663 5.145 1.00 4.15 H new ATOM 0 HE1 PHE A 52 0.231 0.869 0.362 1.00 72.22 H new ATOM 0 HE2 PHE A 52 -1.994 2.760 3.456 1.00 42.23 H new ATOM 0 HZ PHE A 52 -1.593 2.362 1.063 1.00 11.33 H new ATOM 887 N GLN A 53 4.386 -0.903 6.366 1.00 51.11 N ATOM 888 CA GLN A 53 5.195 -1.143 7.598 1.00 44.35 C ATOM 889 C GLN A 53 6.365 -0.135 7.722 1.00 3.44 C ATOM 890 O GLN A 53 6.495 0.559 8.740 1.00 31.03 O ATOM 891 CB GLN A 53 5.760 -2.594 7.608 1.00 23.01 C ATOM 892 CG GLN A 53 6.579 -2.984 8.860 1.00 42.33 C ATOM 893 CD GLN A 53 7.355 -4.305 8.709 1.00 21.33 C ATOM 894 OE1 GLN A 53 6.971 -5.191 7.958 1.00 34.54 O ATOM 895 NE2 GLN A 53 8.447 -4.454 9.439 1.00 23.41 N ATOM 0 H GLN A 53 4.369 -1.700 5.729 1.00 51.11 H new ATOM 0 HA GLN A 53 4.530 -1.004 8.450 1.00 44.35 H new ATOM 0 HB2 GLN A 53 4.927 -3.290 7.510 1.00 23.01 H new ATOM 0 HB3 GLN A 53 6.390 -2.725 6.728 1.00 23.01 H new ATOM 0 HG2 GLN A 53 7.284 -2.183 9.085 1.00 42.33 H new ATOM 0 HG3 GLN A 53 5.905 -3.065 9.713 1.00 42.33 H new ATOM 0 HE21 GLN A 53 8.752 -3.704 10.060 1.00 23.41 H new ATOM 0 HE22 GLN A 53 8.985 -5.319 9.382 1.00 23.41 H new ATOM 904 N ASN A 54 7.201 -0.064 6.662 1.00 14.41 N ATOM 905 CA ASN A 54 8.364 0.853 6.610 1.00 71.14 C ATOM 906 C ASN A 54 7.937 2.337 6.677 1.00 23.04 C ATOM 907 O ASN A 54 8.587 3.157 7.330 1.00 43.22 O ATOM 908 CB ASN A 54 9.209 0.620 5.337 1.00 5.23 C ATOM 909 CG ASN A 54 9.819 -0.777 5.255 1.00 42.51 C ATOM 910 OD1 ASN A 54 10.833 -1.052 5.877 1.00 35.11 O ATOM 911 ND2 ASN A 54 9.247 -1.648 4.449 1.00 4.42 N ATOM 0 H ASN A 54 7.091 -0.635 5.824 1.00 14.41 H new ATOM 0 HA ASN A 54 8.970 0.629 7.488 1.00 71.14 H new ATOM 0 HB2 ASN A 54 8.583 0.786 4.460 1.00 5.23 H new ATOM 0 HB3 ASN A 54 10.009 1.359 5.302 1.00 5.23 H new ATOM 0 HD21 ASN A 54 9.651 -2.577 4.333 1.00 4.42 H new ATOM 0 HD22 ASN A 54 8.400 -1.393 3.941 1.00 4.42 H new ATOM 918 N ARG A 55 6.842 2.674 5.985 1.00 31.45 N ATOM 919 CA ARG A 55 6.294 4.039 5.997 1.00 23.32 C ATOM 920 C ARG A 55 5.667 4.419 7.368 1.00 3.31 C ATOM 921 O ARG A 55 5.662 5.599 7.734 1.00 14.33 O ATOM 922 CB ARG A 55 5.303 4.249 4.825 1.00 43.25 C ATOM 923 CG ARG A 55 5.935 4.655 3.469 1.00 32.44 C ATOM 924 CD ARG A 55 6.725 3.537 2.751 1.00 24.11 C ATOM 925 NE ARG A 55 8.106 3.348 3.224 1.00 45.02 N ATOM 926 CZ ARG A 55 9.063 2.753 2.523 1.00 21.24 C ATOM 927 NH1 ARG A 55 8.823 2.234 1.353 1.00 11.41 N ATOM 928 NH2 ARG A 55 10.261 2.674 2.999 1.00 41.24 N ATOM 0 H ARG A 55 6.315 2.019 5.407 1.00 31.45 H new ATOM 0 HA ARG A 55 7.130 4.723 5.851 1.00 23.32 H new ATOM 0 HB2 ARG A 55 4.741 3.326 4.680 1.00 43.25 H new ATOM 0 HB3 ARG A 55 4.586 5.017 5.114 1.00 43.25 H new ATOM 0 HG2 ARG A 55 5.142 5.001 2.806 1.00 32.44 H new ATOM 0 HG3 ARG A 55 6.603 5.500 3.636 1.00 32.44 H new ATOM 0 HD2 ARG A 55 6.185 2.598 2.869 1.00 24.11 H new ATOM 0 HD3 ARG A 55 6.750 3.758 1.684 1.00 24.11 H new ATOM 0 HE ARG A 55 8.343 3.698 4.152 1.00 45.02 H new ATOM 0 HH11 ARG A 55 7.884 2.280 0.958 1.00 11.41 H new ATOM 0 HH12 ARG A 55 9.574 1.782 0.832 1.00 11.41 H new ATOM 0 HH21 ARG A 55 10.473 3.069 3.915 1.00 41.24 H new ATOM 0 HH22 ARG A 55 10.995 2.216 2.459 1.00 41.24 H new ATOM 942 N ARG A 56 5.143 3.429 8.131 1.00 41.33 N ATOM 943 CA ARG A 56 4.698 3.653 9.536 1.00 54.54 C ATOM 944 C ARG A 56 5.922 3.872 10.459 1.00 4.30 C ATOM 945 O ARG A 56 5.862 4.642 11.426 1.00 2.25 O ATOM 946 CB ARG A 56 3.834 2.466 10.048 1.00 22.32 C ATOM 947 CG ARG A 56 2.428 2.379 9.411 1.00 52.43 C ATOM 948 CD ARG A 56 1.611 1.176 9.915 1.00 62.45 C ATOM 949 NE ARG A 56 2.278 -0.114 9.641 1.00 71.24 N ATOM 950 CZ ARG A 56 2.720 -0.959 10.554 1.00 24.43 C ATOM 951 NH1 ARG A 56 2.640 -0.689 11.822 1.00 34.13 N ATOM 952 NH2 ARG A 56 3.248 -2.076 10.190 1.00 63.11 N ATOM 0 H ARG A 56 5.017 2.471 7.803 1.00 41.33 H new ATOM 0 HA ARG A 56 4.079 4.550 9.556 1.00 54.54 H new ATOM 0 HB2 ARG A 56 4.366 1.535 9.854 1.00 22.32 H new ATOM 0 HB3 ARG A 56 3.725 2.551 11.129 1.00 22.32 H new ATOM 0 HG2 ARG A 56 1.881 3.297 9.625 1.00 52.43 H new ATOM 0 HG3 ARG A 56 2.530 2.313 8.328 1.00 52.43 H new ATOM 0 HD2 ARG A 56 1.447 1.276 10.988 1.00 62.45 H new ATOM 0 HD3 ARG A 56 0.630 1.182 9.440 1.00 62.45 H new ATOM 0 HE ARG A 56 2.408 -0.374 8.663 1.00 71.24 H new ATOM 0 HH11 ARG A 56 2.229 0.192 12.131 1.00 34.13 H new ATOM 0 HH12 ARG A 56 2.988 -1.358 12.509 1.00 34.13 H new ATOM 0 HH21 ARG A 56 3.324 -2.305 9.199 1.00 63.11 H new ATOM 0 HH22 ARG A 56 3.591 -2.731 10.893 1.00 63.11 H new ATOM 966 N TYR A 57 7.027 3.181 10.131 1.00 54.11 N ATOM 967 CA TYR A 57 8.353 3.391 10.757 1.00 33.35 C ATOM 968 C TYR A 57 8.955 4.770 10.346 1.00 11.31 C ATOM 969 O TYR A 57 9.771 5.341 11.075 1.00 61.44 O ATOM 970 CB TYR A 57 9.290 2.207 10.353 1.00 32.41 C ATOM 971 CG TYR A 57 10.768 2.328 10.789 1.00 53.05 C ATOM 972 CD1 TYR A 57 11.181 1.966 12.077 1.00 52.33 C ATOM 973 CD2 TYR A 57 11.748 2.786 9.900 1.00 14.42 C ATOM 974 CE1 TYR A 57 12.508 2.065 12.460 1.00 14.13 C ATOM 975 CE2 TYR A 57 13.072 2.889 10.281 1.00 61.41 C ATOM 976 CZ TYR A 57 13.452 2.524 11.557 1.00 5.43 C ATOM 977 OH TYR A 57 14.779 2.619 11.931 1.00 44.50 O ATOM 0 H TYR A 57 7.030 2.453 9.417 1.00 54.11 H new ATOM 0 HA TYR A 57 8.249 3.408 11.842 1.00 33.35 H new ATOM 0 HB2 TYR A 57 8.882 1.288 10.775 1.00 32.41 H new ATOM 0 HB3 TYR A 57 9.260 2.101 9.269 1.00 32.41 H new ATOM 0 HD1 TYR A 57 10.451 1.603 12.785 1.00 52.33 H new ATOM 0 HD2 TYR A 57 11.463 3.064 8.896 1.00 14.42 H new ATOM 0 HE1 TYR A 57 12.806 1.785 13.460 1.00 14.13 H new ATOM 0 HE2 TYR A 57 13.809 3.255 9.581 1.00 61.41 H new ATOM 0 HH TYR A 57 15.308 2.958 11.178 1.00 44.50 H new ATOM 987 N LYS A 58 8.529 5.303 9.178 1.00 1.25 N ATOM 988 CA LYS A 58 8.919 6.663 8.715 1.00 64.54 C ATOM 989 C LYS A 58 8.079 7.768 9.422 1.00 34.33 C ATOM 990 O LYS A 58 8.535 8.908 9.530 1.00 1.24 O ATOM 991 CB LYS A 58 8.760 6.798 7.172 1.00 12.33 C ATOM 992 CG LYS A 58 9.791 6.023 6.320 1.00 1.51 C ATOM 993 CD LYS A 58 9.400 5.948 4.819 1.00 70.10 C ATOM 994 CE LYS A 58 9.273 7.314 4.120 1.00 41.12 C ATOM 995 NZ LYS A 58 10.579 8.009 3.978 1.00 71.43 N ATOM 0 H LYS A 58 7.911 4.811 8.532 1.00 1.25 H new ATOM 0 HA LYS A 58 9.968 6.799 8.978 1.00 64.54 H new ATOM 0 HB2 LYS A 58 7.761 6.459 6.897 1.00 12.33 H new ATOM 0 HB3 LYS A 58 8.821 7.854 6.910 1.00 12.33 H new ATOM 0 HG2 LYS A 58 10.765 6.502 6.413 1.00 1.51 H new ATOM 0 HG3 LYS A 58 9.894 5.012 6.714 1.00 1.51 H new ATOM 0 HD2 LYS A 58 10.146 5.353 4.292 1.00 70.10 H new ATOM 0 HD3 LYS A 58 8.451 5.420 4.730 1.00 70.10 H new ATOM 0 HE2 LYS A 58 8.832 7.173 3.133 1.00 41.12 H new ATOM 0 HE3 LYS A 58 8.590 7.946 4.687 1.00 41.12 H new ATOM 0 HZ1 LYS A 58 10.436 8.922 3.502 1.00 71.43 H new ATOM 0 HZ2 LYS A 58 10.991 8.170 4.919 1.00 71.43 H new ATOM 0 HZ3 LYS A 58 11.225 7.421 3.414 1.00 71.43 H new ATOM 1009 N THR A 59 6.867 7.419 9.916 1.00 51.41 N ATOM 1010 CA THR A 59 5.945 8.395 10.571 1.00 14.44 C ATOM 1011 C THR A 59 6.116 8.341 12.102 1.00 11.12 C ATOM 1012 O THR A 59 6.568 7.321 12.640 1.00 2.31 O ATOM 1013 CB THR A 59 4.442 8.156 10.198 1.00 41.43 C ATOM 1014 OG1 THR A 59 4.042 6.805 10.490 1.00 4.15 O ATOM 1015 CG2 THR A 59 4.165 8.462 8.716 1.00 52.04 C ATOM 0 H THR A 59 6.499 6.469 9.876 1.00 51.41 H new ATOM 0 HA THR A 59 6.216 9.383 10.199 1.00 14.44 H new ATOM 0 HB THR A 59 3.856 8.843 10.809 1.00 41.43 H new ATOM 0 HG1 THR A 59 4.801 6.314 10.869 1.00 4.15 H new ATOM 0 HG21 THR A 59 3.112 8.284 8.498 1.00 52.04 H new ATOM 0 HG22 THR A 59 4.407 9.504 8.508 1.00 52.04 H new ATOM 0 HG23 THR A 59 4.779 7.815 8.090 1.00 52.04 H new ATOM 1023 N LYS A 60 5.768 9.468 12.788 1.00 3.44 N ATOM 1024 CA LYS A 60 6.071 9.726 14.234 1.00 54.35 C ATOM 1025 C LYS A 60 7.599 9.992 14.457 1.00 2.42 C ATOM 1026 O LYS A 60 8.054 10.248 15.577 1.00 63.45 O ATOM 1027 CB LYS A 60 5.502 8.585 15.145 1.00 73.23 C ATOM 1028 CG LYS A 60 5.562 8.827 16.673 1.00 63.50 C ATOM 1029 CD LYS A 60 4.796 7.747 17.483 1.00 1.23 C ATOM 1030 CE LYS A 60 5.340 6.320 17.275 1.00 31.00 C ATOM 1031 NZ LYS A 60 4.513 5.298 17.978 1.00 40.43 N ATOM 0 H LYS A 60 5.261 10.236 12.348 1.00 3.44 H new ATOM 0 HA LYS A 60 5.558 10.640 14.535 1.00 54.35 H new ATOM 0 HB2 LYS A 60 4.462 8.413 14.867 1.00 73.23 H new ATOM 0 HB3 LYS A 60 6.047 7.667 14.923 1.00 73.23 H new ATOM 0 HG2 LYS A 60 6.604 8.844 16.993 1.00 63.50 H new ATOM 0 HG3 LYS A 60 5.144 9.808 16.898 1.00 63.50 H new ATOM 0 HD2 LYS A 60 4.847 7.996 18.543 1.00 1.23 H new ATOM 0 HD3 LYS A 60 3.744 7.771 17.200 1.00 1.23 H new ATOM 0 HE2 LYS A 60 5.366 6.094 16.209 1.00 31.00 H new ATOM 0 HE3 LYS A 60 6.367 6.267 17.637 1.00 31.00 H new ATOM 0 HZ1 LYS A 60 4.914 4.353 17.812 1.00 40.43 H new ATOM 0 HZ2 LYS A 60 4.508 5.498 18.999 1.00 40.43 H new ATOM 0 HZ3 LYS A 60 3.539 5.330 17.615 1.00 40.43 H new ATOM 1045 N ARG A 61 8.374 9.967 13.352 1.00 71.55 N ATOM 1046 CA ARG A 61 9.802 10.306 13.333 1.00 24.42 C ATOM 1047 C ARG A 61 9.956 11.844 13.363 1.00 55.35 C ATOM 1048 O ARG A 61 9.559 12.521 12.404 1.00 4.22 O ATOM 1049 CB ARG A 61 10.451 9.713 12.053 1.00 73.21 C ATOM 1050 CG ARG A 61 11.979 9.912 11.924 1.00 2.32 C ATOM 1051 CD ARG A 61 12.790 9.094 12.945 1.00 65.33 C ATOM 1052 NE ARG A 61 14.239 9.294 12.775 1.00 24.41 N ATOM 1053 CZ ARG A 61 15.171 8.897 13.620 1.00 33.34 C ATOM 1054 NH1 ARG A 61 14.873 8.274 14.724 1.00 63.24 N ATOM 1055 NH2 ARG A 61 16.410 9.137 13.349 1.00 72.04 N ATOM 0 H ARG A 61 8.013 9.705 12.435 1.00 71.55 H new ATOM 0 HA ARG A 61 10.303 9.885 14.205 1.00 24.42 H new ATOM 0 HB2 ARG A 61 10.238 8.644 12.021 1.00 73.21 H new ATOM 0 HB3 ARG A 61 9.970 10.160 11.183 1.00 73.21 H new ATOM 0 HG2 ARG A 61 12.290 9.634 10.917 1.00 2.32 H new ATOM 0 HG3 ARG A 61 12.212 10.969 12.049 1.00 2.32 H new ATOM 0 HD2 ARG A 61 12.499 9.382 13.955 1.00 65.33 H new ATOM 0 HD3 ARG A 61 12.553 8.036 12.834 1.00 65.33 H new ATOM 0 HE ARG A 61 14.548 9.780 11.933 1.00 24.41 H new ATOM 0 HH11 ARG A 61 13.898 8.081 14.954 1.00 63.24 H new ATOM 0 HH12 ARG A 61 15.615 7.978 15.359 1.00 63.24 H new ATOM 0 HH21 ARG A 61 16.658 9.628 12.490 1.00 72.04 H new ATOM 0 HH22 ARG A 61 17.141 8.836 13.994 1.00 72.04 H new ATOM 1069 N LYS A 62 10.508 12.374 14.468 1.00 11.42 N ATOM 1070 CA LYS A 62 10.607 13.829 14.708 1.00 2.32 C ATOM 1071 C LYS A 62 11.626 14.500 13.747 1.00 33.14 C ATOM 1072 O LYS A 62 12.828 14.567 14.025 1.00 31.43 O ATOM 1073 CB LYS A 62 10.966 14.095 16.196 1.00 23.23 C ATOM 1074 CG LYS A 62 10.994 15.586 16.609 1.00 40.04 C ATOM 1075 CD LYS A 62 11.431 15.785 18.081 1.00 3.34 C ATOM 1076 CE LYS A 62 12.869 15.300 18.348 1.00 50.43 C ATOM 1077 NZ LYS A 62 13.283 15.523 19.765 1.00 53.12 N ATOM 0 H LYS A 62 10.899 11.808 15.221 1.00 11.42 H new ATOM 0 HA LYS A 62 9.637 14.280 14.499 1.00 2.32 H new ATOM 0 HB2 LYS A 62 10.246 13.573 16.826 1.00 23.23 H new ATOM 0 HB3 LYS A 62 11.944 13.659 16.401 1.00 23.23 H new ATOM 0 HG2 LYS A 62 11.676 16.128 15.954 1.00 40.04 H new ATOM 0 HG3 LYS A 62 10.004 16.018 16.466 1.00 40.04 H new ATOM 0 HD2 LYS A 62 11.355 16.842 18.338 1.00 3.34 H new ATOM 0 HD3 LYS A 62 10.744 15.248 18.735 1.00 3.34 H new ATOM 0 HE2 LYS A 62 12.943 14.238 18.112 1.00 50.43 H new ATOM 0 HE3 LYS A 62 13.557 15.823 17.683 1.00 50.43 H new ATOM 0 HZ1 LYS A 62 14.256 15.182 19.900 1.00 53.12 H new ATOM 0 HZ2 LYS A 62 13.238 16.539 19.984 1.00 53.12 H new ATOM 0 HZ3 LYS A 62 12.643 15.003 20.399 1.00 53.12 H new ATOM 1091 N GLN A 63 11.127 14.916 12.575 1.00 71.03 N ATOM 1092 CA GLN A 63 11.872 15.744 11.591 1.00 62.21 C ATOM 1093 C GLN A 63 11.365 17.207 11.649 1.00 63.42 C ATOM 1094 O GLN A 63 12.064 18.146 11.261 1.00 71.34 O ATOM 1095 CB GLN A 63 11.691 15.159 10.162 1.00 2.03 C ATOM 1096 CG GLN A 63 12.006 13.648 10.035 1.00 4.34 C ATOM 1097 CD GLN A 63 13.496 13.263 10.118 1.00 72.20 C ATOM 1098 OE1 GLN A 63 14.318 13.938 10.729 1.00 32.33 O ATOM 1099 NE2 GLN A 63 13.839 12.129 9.531 1.00 33.24 N ATOM 0 H GLN A 63 10.181 14.688 12.270 1.00 71.03 H new ATOM 0 HA GLN A 63 12.934 15.732 11.838 1.00 62.21 H new ATOM 0 HB2 GLN A 63 10.663 15.330 9.842 1.00 2.03 H new ATOM 0 HB3 GLN A 63 12.334 15.709 9.475 1.00 2.03 H new ATOM 0 HG2 GLN A 63 11.469 13.117 10.821 1.00 4.34 H new ATOM 0 HG3 GLN A 63 11.611 13.293 9.083 1.00 4.34 H new ATOM 0 HE21 GLN A 63 13.139 11.583 9.028 1.00 33.24 H new ATOM 0 HE22 GLN A 63 14.803 11.800 9.581 1.00 33.24 H new ATOM 1108 N LEU A 64 10.124 17.365 12.141 1.00 51.43 N ATOM 1109 CA LEU A 64 9.480 18.659 12.402 1.00 31.51 C ATOM 1110 C LEU A 64 9.364 18.822 13.932 1.00 52.04 C ATOM 1111 O LEU A 64 8.346 18.476 14.544 1.00 54.55 O ATOM 1112 CB LEU A 64 8.083 18.746 11.710 1.00 50.41 C ATOM 1113 CG LEU A 64 7.350 20.128 11.796 1.00 74.43 C ATOM 1114 CD1 LEU A 64 8.166 21.252 11.112 1.00 11.12 C ATOM 1115 CD2 LEU A 64 5.918 20.035 11.217 1.00 13.42 C ATOM 0 H LEU A 64 9.526 16.572 12.374 1.00 51.43 H new ATOM 0 HA LEU A 64 10.078 19.469 11.985 1.00 31.51 H new ATOM 0 HB2 LEU A 64 8.206 18.489 10.658 1.00 50.41 H new ATOM 0 HB3 LEU A 64 7.436 17.987 12.150 1.00 50.41 H new ATOM 0 HG LEU A 64 7.266 20.390 12.851 1.00 74.43 H new ATOM 0 HD11 LEU A 64 7.625 22.195 11.192 1.00 11.12 H new ATOM 0 HD12 LEU A 64 9.135 21.347 11.601 1.00 11.12 H new ATOM 0 HD13 LEU A 64 8.313 21.007 10.060 1.00 11.12 H new ATOM 0 HD21 LEU A 64 5.432 21.008 11.289 1.00 13.42 H new ATOM 0 HD22 LEU A 64 5.967 19.731 10.171 1.00 13.42 H new ATOM 0 HD23 LEU A 64 5.344 19.300 11.782 1.00 13.42 H new ATOM 1127 N SER A 65 10.473 19.248 14.543 1.00 41.44 N ATOM 1128 CA SER A 65 10.562 19.523 15.997 1.00 71.14 C ATOM 1129 C SER A 65 9.622 20.679 16.423 1.00 72.30 C ATOM 1130 O SER A 65 9.176 21.475 15.583 1.00 1.01 O ATOM 1131 CB SER A 65 12.029 19.854 16.379 1.00 3.42 C ATOM 1132 OG SER A 65 12.917 18.803 16.019 1.00 41.21 O ATOM 0 H SER A 65 11.348 19.416 14.046 1.00 41.44 H new ATOM 0 HA SER A 65 10.239 18.628 16.529 1.00 71.14 H new ATOM 0 HB2 SER A 65 12.335 20.775 15.883 1.00 3.42 H new ATOM 0 HB3 SER A 65 12.094 20.033 17.452 1.00 3.42 H new ATOM 0 HG SER A 65 13.832 19.046 16.273 1.00 41.21 H new ATOM 1138 N SER A 66 9.338 20.757 17.740 1.00 5.45 N ATOM 1139 CA SER A 66 8.466 21.800 18.341 1.00 43.42 C ATOM 1140 C SER A 66 9.028 23.219 18.053 1.00 45.00 C ATOM 1141 O SER A 66 9.985 23.653 18.696 1.00 33.33 O ATOM 1142 CB SER A 66 8.340 21.551 19.869 1.00 54.21 C ATOM 1143 OG SER A 66 7.457 22.476 20.486 1.00 22.23 O ATOM 0 H SER A 66 9.707 20.096 18.424 1.00 5.45 H new ATOM 0 HA SER A 66 7.475 21.741 17.891 1.00 43.42 H new ATOM 0 HB2 SER A 66 7.982 20.536 20.043 1.00 54.21 H new ATOM 0 HB3 SER A 66 9.324 21.625 20.331 1.00 54.21 H new ATOM 0 HG SER A 66 7.403 22.286 21.446 1.00 22.23 H new ATOM 1149 N GLU A 67 8.435 23.907 17.057 1.00 0.53 N ATOM 1150 CA GLU A 67 8.967 25.175 16.502 1.00 23.12 C ATOM 1151 C GLU A 67 8.873 26.355 17.498 1.00 53.43 C ATOM 1152 O GLU A 67 8.082 26.318 18.447 1.00 24.32 O ATOM 1153 CB GLU A 67 8.252 25.504 15.153 1.00 43.43 C ATOM 1154 CG GLU A 67 8.417 24.402 14.076 1.00 13.52 C ATOM 1155 CD GLU A 67 7.740 24.742 12.734 1.00 33.15 C ATOM 1156 OE1 GLU A 67 8.368 25.434 11.899 1.00 52.22 O ATOM 1157 OE2 GLU A 67 6.575 24.336 12.514 1.00 55.03 O ATOM 0 H GLU A 67 7.570 23.601 16.611 1.00 0.53 H new ATOM 0 HA GLU A 67 10.031 25.031 16.315 1.00 23.12 H new ATOM 0 HB2 GLU A 67 7.190 25.658 15.343 1.00 43.43 H new ATOM 0 HB3 GLU A 67 8.645 26.443 14.763 1.00 43.43 H new ATOM 0 HG2 GLU A 67 9.480 24.231 13.904 1.00 13.52 H new ATOM 0 HG3 GLU A 67 8.001 23.469 14.457 1.00 13.52 H new ATOM 1164 N LEU A 68 9.715 27.385 17.268 1.00 1.41 N ATOM 1165 CA LEU A 68 9.858 28.557 18.165 1.00 61.25 C ATOM 1166 C LEU A 68 8.521 29.345 18.310 1.00 53.22 C ATOM 1167 O LEU A 68 8.191 30.202 17.477 1.00 13.44 O ATOM 1168 CB LEU A 68 10.995 29.488 17.642 1.00 42.24 C ATOM 1169 CG LEU A 68 11.363 30.712 18.548 1.00 31.44 C ATOM 1170 CD1 LEU A 68 11.945 30.259 19.905 1.00 11.10 C ATOM 1171 CD2 LEU A 68 12.314 31.689 17.815 1.00 54.52 C ATOM 0 H LEU A 68 10.321 27.429 16.448 1.00 1.41 H new ATOM 0 HA LEU A 68 10.122 28.192 19.157 1.00 61.25 H new ATOM 0 HB2 LEU A 68 11.892 28.886 17.500 1.00 42.24 H new ATOM 0 HB3 LEU A 68 10.705 29.864 16.661 1.00 42.24 H new ATOM 0 HG LEU A 68 10.441 31.253 18.759 1.00 31.44 H new ATOM 0 HD11 LEU A 68 12.189 31.134 20.507 1.00 11.10 H new ATOM 0 HD12 LEU A 68 11.210 29.650 20.431 1.00 11.10 H new ATOM 0 HD13 LEU A 68 12.848 29.672 19.736 1.00 11.10 H new ATOM 0 HD21 LEU A 68 12.550 32.527 18.470 1.00 54.52 H new ATOM 0 HD22 LEU A 68 13.233 31.169 17.546 1.00 54.52 H new ATOM 0 HD23 LEU A 68 11.829 32.060 16.912 1.00 54.52 H new ATOM 1183 N GLY A 69 7.750 29.009 19.361 1.00 21.43 N ATOM 1184 CA GLY A 69 6.447 29.635 19.631 1.00 24.21 C ATOM 1185 C GLY A 69 5.358 29.226 18.645 1.00 10.22 C ATOM 1186 O GLY A 69 5.079 28.043 18.443 1.00 30.32 O ATOM 0 H GLY A 69 8.014 28.298 20.043 1.00 21.43 H new ATOM 0 HA2 GLY A 69 6.129 29.373 20.640 1.00 24.21 H new ATOM 0 HA3 GLY A 69 6.561 30.719 19.605 1.00 24.21 H new TER 1190 GLY A 69