USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 589 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 3 HIS : no HE2:sc= 0.715 K(o=0.88,f=-3.8!) USER MOD Set 1.2: A 50 THR OG1 : rot -78:sc= 0.167 USER MOD Set 2.1: A 10 HIS : no HD1:sc= -0.102 X(o=-0.097,f=0.011) USER MOD Set 2.2: A 12 SER OG : rot 180:sc= 0.00472 USER MOD Set 3.1: A 7 HIS : no HD1:sc= 0.342 K(o=1.5,f=-4.2!) USER MOD Set 3.2: A 9 SER OG : rot -114:sc= 1.19 USER MOD Single : A 1 MET CE :methyl 144:sc= -0.257 (180deg=-1.04) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 HIS : no HD1:sc= -0.155 X(o=-0.15,f=-0.013) 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) USER MOD Single : A 8 HIS : no HD1:sc= -0.307 X(o=-0.31,f=-0.1) USER MOD Single : A 11 MET CE :methyl 171:sc= -0.0472 (180deg=-0.273) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0358 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 1.12 K(o=1.1,f=-0.0091) USER MOD Single : A 29 MET CE :methyl 175:sc= -0.717 (180deg=-0.754) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -1.25 K(o=-1.2,f=-0.15) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot -82:sc= 0.775 USER MOD Single : A 49 LYS NZ :NH3+ -162:sc= -0.142 (180deg=-1.32!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -1.51 K(o=-1.5,f=-3) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 137:sc= -0.659 (180deg=-2.78!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.005 4.732 16.963 1.00 14.44 N ATOM 2 CA MET A 1 3.574 5.106 16.944 1.00 71.11 C ATOM 3 C MET A 1 3.398 6.510 16.382 1.00 23.30 C ATOM 4 O MET A 1 4.123 7.431 16.754 1.00 54.22 O ATOM 5 CB MET A 1 2.990 5.045 18.360 1.00 3.00 C ATOM 6 CG MET A 1 1.537 5.493 18.441 1.00 62.10 C ATOM 7 SD MET A 1 0.917 5.551 20.133 1.00 64.44 S ATOM 8 CE MET A 1 2.045 6.739 20.870 1.00 31.12 C ATOM 0 H1 MET A 1 5.108 3.772 17.349 1.00 14.44 H new ATOM 0 H2 MET A 1 5.384 4.758 15.995 1.00 14.44 H new ATOM 0 H3 MET A 1 5.531 5.403 17.559 1.00 14.44 H new ATOM 0 HA MET A 1 3.045 4.398 16.306 1.00 71.11 H new ATOM 0 HB2 MET A 1 3.068 4.023 18.732 1.00 3.00 H new ATOM 0 HB3 MET A 1 3.592 5.671 19.019 1.00 3.00 H new ATOM 0 HG2 MET A 1 1.440 6.480 17.989 1.00 62.10 H new ATOM 0 HG3 MET A 1 0.919 4.813 17.855 1.00 62.10 H new ATOM 0 HE1 MET A 1 1.507 7.350 21.595 1.00 31.12 H new ATOM 0 HE2 MET A 1 2.855 6.209 21.371 1.00 31.12 H new ATOM 0 HE3 MET A 1 2.458 7.380 20.091 1.00 31.12 H new ATOM 20 N GLY A 2 2.442 6.664 15.477 1.00 52.44 N ATOM 21 CA GLY A 2 2.142 7.972 14.933 1.00 2.34 C ATOM 22 C GLY A 2 2.911 8.262 13.662 1.00 33.11 C ATOM 23 O GLY A 2 3.974 7.689 13.422 1.00 25.21 O ATOM 0 H GLY A 2 1.868 5.905 15.110 1.00 52.44 H new ATOM 0 HA2 GLY A 2 1.073 8.041 14.731 1.00 2.34 H new ATOM 0 HA3 GLY A 2 2.376 8.734 15.677 1.00 2.34 H new ATOM 27 N HIS A 3 2.370 9.146 12.840 1.00 43.21 N ATOM 28 CA HIS A 3 3.024 9.546 11.604 1.00 50.05 C ATOM 29 C HIS A 3 3.257 11.051 11.636 1.00 34.33 C ATOM 30 O HIS A 3 2.304 11.830 11.632 1.00 34.20 O ATOM 31 CB HIS A 3 2.170 9.161 10.384 1.00 41.52 C ATOM 32 CG HIS A 3 1.837 7.694 10.301 1.00 71.54 C ATOM 33 ND1 HIS A 3 2.490 6.811 9.463 1.00 55.44 N ATOM 34 CD2 HIS A 3 0.903 6.958 10.954 1.00 63.12 C ATOM 35 CE1 HIS A 3 1.975 5.605 9.607 1.00 44.11 C ATOM 36 NE2 HIS A 3 1.012 5.665 10.504 1.00 15.14 N ATOM 0 H HIS A 3 1.474 9.603 13.008 1.00 43.21 H new ATOM 0 HA HIS A 3 3.979 9.027 11.517 1.00 50.05 H new ATOM 0 HB2 HIS A 3 1.242 9.732 10.410 1.00 41.52 H new ATOM 0 HB3 HIS A 3 2.699 9.454 9.477 1.00 41.52 H new ATOM 0 HD1 HIS A 3 3.253 7.054 8.831 1.00 55.44 H new ATOM 0 HD2 HIS A 3 0.203 7.322 11.692 1.00 63.12 H new ATOM 0 HE1 HIS A 3 2.290 4.718 9.078 1.00 44.11 H new ATOM 45 N HIS A 4 4.516 11.456 11.690 1.00 24.31 N ATOM 46 CA HIS A 4 4.853 12.865 11.853 1.00 20.53 C ATOM 47 C HIS A 4 4.799 13.585 10.507 1.00 21.41 C ATOM 48 O HIS A 4 5.148 13.008 9.478 1.00 72.21 O ATOM 49 CB HIS A 4 6.242 13.002 12.486 1.00 3.53 C ATOM 50 CG HIS A 4 6.461 14.305 13.196 1.00 34.45 C ATOM 51 ND1 HIS A 4 7.705 14.756 13.572 1.00 63.44 N ATOM 52 CD2 HIS A 4 5.580 15.240 13.629 1.00 12.54 C ATOM 53 CE1 HIS A 4 7.581 15.908 14.201 1.00 62.24 C ATOM 54 NE2 HIS A 4 6.305 16.226 14.251 1.00 2.42 N ATOM 0 H HIS A 4 5.321 10.833 11.624 1.00 24.31 H new ATOM 0 HA HIS A 4 4.122 13.328 12.516 1.00 20.53 H new ATOM 0 HB2 HIS A 4 6.391 12.185 13.192 1.00 3.53 H new ATOM 0 HB3 HIS A 4 6.997 12.892 11.708 1.00 3.53 H new ATOM 0 HD2 HIS A 4 4.507 15.214 13.507 1.00 12.54 H new ATOM 0 HE1 HIS A 4 8.392 16.494 14.608 1.00 62.24 H new ATOM 0 HE2 HIS A 4 5.918 17.066 14.681 1.00 2.42 H new ATOM 63 N HIS A 5 4.350 14.842 10.532 1.00 12.54 N ATOM 64 CA HIS A 5 4.185 15.648 9.317 1.00 43.44 C ATOM 65 C HIS A 5 5.444 15.653 8.446 1.00 21.24 C ATOM 66 O HIS A 5 5.363 15.465 7.232 1.00 44.31 O ATOM 67 CB HIS A 5 3.800 17.087 9.690 1.00 61.13 C ATOM 68 CG HIS A 5 3.541 17.976 8.512 1.00 21.22 C ATOM 69 ND1 HIS A 5 4.090 19.233 8.381 1.00 14.43 N ATOM 70 CD2 HIS A 5 2.776 17.787 7.411 1.00 65.25 C ATOM 71 CE1 HIS A 5 3.679 19.773 7.251 1.00 65.04 C ATOM 72 NE2 HIS A 5 2.882 18.918 6.644 1.00 41.13 N ATOM 0 H HIS A 5 4.091 15.329 11.390 1.00 12.54 H new ATOM 0 HA HIS A 5 3.387 15.192 8.731 1.00 43.44 H new ATOM 0 HB2 HIS A 5 2.908 17.062 10.316 1.00 61.13 H new ATOM 0 HB3 HIS A 5 4.599 17.521 10.291 1.00 61.13 H new ATOM 0 HD2 HIS A 5 2.191 16.909 7.180 1.00 65.25 H new ATOM 0 HE1 HIS A 5 3.950 20.752 6.884 1.00 65.04 H new ATOM 0 HE2 HIS A 5 2.419 19.072 5.748 1.00 41.13 H new ATOM 81 N HIS A 6 6.599 15.880 9.057 1.00 60.30 N ATOM 82 CA HIS A 6 7.845 15.927 8.303 1.00 32.30 C ATOM 83 C HIS A 6 8.452 14.536 8.161 1.00 42.53 C ATOM 84 O HIS A 6 8.705 13.852 9.152 1.00 11.42 O ATOM 85 CB HIS A 6 8.848 16.875 8.964 1.00 22.22 C ATOM 86 CG HIS A 6 10.096 17.088 8.159 1.00 34.52 C ATOM 87 ND1 HIS A 6 11.357 17.115 8.710 1.00 43.42 N ATOM 88 CD2 HIS A 6 10.268 17.285 6.829 1.00 13.52 C ATOM 89 CE1 HIS A 6 12.249 17.317 7.760 1.00 44.22 C ATOM 90 NE2 HIS A 6 11.615 17.421 6.608 1.00 30.25 N ATOM 0 H HIS A 6 6.700 16.033 10.060 1.00 60.30 H new ATOM 0 HA HIS A 6 7.614 16.305 7.307 1.00 32.30 H new ATOM 0 HB2 HIS A 6 8.367 17.838 9.134 1.00 22.22 H new ATOM 0 HB3 HIS A 6 9.120 16.478 9.942 1.00 22.22 H new ATOM 0 HD2 HIS A 6 9.489 17.327 6.082 1.00 13.52 H new ATOM 0 HE1 HIS A 6 13.318 17.386 7.901 1.00 44.22 H new ATOM 0 HE2 HIS A 6 12.055 17.577 5.701 1.00 30.25 H new ATOM 99 N HIS A 7 8.670 14.126 6.919 1.00 62.01 N ATOM 100 CA HIS A 7 9.333 12.865 6.625 1.00 62.33 C ATOM 101 C HIS A 7 10.186 13.038 5.372 1.00 14.23 C ATOM 102 O HIS A 7 9.663 13.347 4.303 1.00 53.51 O ATOM 103 CB HIS A 7 8.295 11.751 6.411 1.00 10.32 C ATOM 104 CG HIS A 7 8.842 10.356 6.553 1.00 0.31 C ATOM 105 ND1 HIS A 7 8.238 9.395 7.335 1.00 41.40 N ATOM 106 CD2 HIS A 7 9.926 9.755 6.001 1.00 62.40 C ATOM 107 CE1 HIS A 7 8.926 8.271 7.262 1.00 52.21 C ATOM 108 NE2 HIS A 7 9.953 8.461 6.459 1.00 3.12 N ATOM 0 H HIS A 7 8.394 14.655 6.092 1.00 62.01 H new ATOM 0 HA HIS A 7 9.967 12.582 7.465 1.00 62.33 H new ATOM 0 HB2 HIS A 7 7.484 11.885 7.127 1.00 10.32 H new ATOM 0 HB3 HIS A 7 7.863 11.859 5.416 1.00 10.32 H new ATOM 0 HD2 HIS A 7 10.636 10.210 5.326 1.00 62.40 H new ATOM 0 HE1 HIS A 7 8.687 7.351 7.774 1.00 52.21 H new ATOM 0 HE2 HIS A 7 10.654 7.761 6.217 1.00 3.12 H new ATOM 117 N HIS A 8 11.494 12.866 5.504 1.00 51.03 N ATOM 118 CA HIS A 8 12.393 13.050 4.364 1.00 55.32 C ATOM 119 C HIS A 8 12.504 11.778 3.529 1.00 43.22 C ATOM 120 O HIS A 8 13.512 11.074 3.560 1.00 53.02 O ATOM 121 CB HIS A 8 13.786 13.561 4.788 1.00 54.55 C ATOM 122 CG HIS A 8 14.392 12.895 5.992 1.00 42.44 C ATOM 123 ND1 HIS A 8 14.952 13.611 7.028 1.00 50.12 N ATOM 124 CD2 HIS A 8 14.547 11.588 6.317 1.00 24.11 C ATOM 125 CE1 HIS A 8 15.421 12.776 7.936 1.00 23.41 C ATOM 126 NE2 HIS A 8 15.187 11.546 7.529 1.00 14.51 N ATOM 0 H HIS A 8 11.955 12.603 6.375 1.00 51.03 H new ATOM 0 HA HIS A 8 11.948 13.825 3.740 1.00 55.32 H new ATOM 0 HB2 HIS A 8 14.468 13.438 3.947 1.00 54.55 H new ATOM 0 HB3 HIS A 8 13.714 14.630 4.986 1.00 54.55 H new ATOM 0 HD2 HIS A 8 14.227 10.739 5.731 1.00 24.11 H new ATOM 0 HE1 HIS A 8 15.913 13.054 8.856 1.00 23.41 H new ATOM 0 HE2 HIS A 8 15.441 10.697 8.035 1.00 14.51 H new ATOM 135 N SER A 9 11.444 11.489 2.795 1.00 2.12 N ATOM 136 CA SER A 9 11.400 10.324 1.931 1.00 4.41 C ATOM 137 C SER A 9 12.168 10.579 0.638 1.00 24.02 C ATOM 138 O SER A 9 11.804 11.451 -0.152 1.00 35.45 O ATOM 139 CB SER A 9 9.949 9.972 1.619 1.00 64.34 C ATOM 140 OG SER A 9 9.217 9.736 2.809 1.00 13.41 O ATOM 0 H SER A 9 10.594 12.052 2.781 1.00 2.12 H new ATOM 0 HA SER A 9 11.872 9.488 2.447 1.00 4.41 H new ATOM 0 HB2 SER A 9 9.486 10.784 1.058 1.00 64.34 H new ATOM 0 HB3 SER A 9 9.914 9.086 0.985 1.00 64.34 H new ATOM 0 HG SER A 9 8.947 8.795 2.846 1.00 13.41 H new ATOM 146 N HIS A 10 13.234 9.821 0.436 1.00 44.50 N ATOM 147 CA HIS A 10 14.041 9.935 -0.770 1.00 51.14 C ATOM 148 C HIS A 10 14.653 8.582 -1.107 1.00 23.54 C ATOM 149 O HIS A 10 14.959 7.798 -0.208 1.00 62.13 O ATOM 150 CB HIS A 10 15.144 10.994 -0.595 1.00 62.43 C ATOM 151 CG HIS A 10 16.243 10.607 0.355 1.00 34.23 C ATOM 152 ND1 HIS A 10 17.529 10.330 -0.060 1.00 65.12 N ATOM 153 CD2 HIS A 10 16.246 10.465 1.704 1.00 24.25 C ATOM 154 CE1 HIS A 10 18.273 10.034 0.990 1.00 31.44 C ATOM 155 NE2 HIS A 10 17.519 10.109 2.071 1.00 15.12 N ATOM 0 H HIS A 10 13.563 9.116 1.096 1.00 44.50 H new ATOM 0 HA HIS A 10 13.398 10.253 -1.591 1.00 51.14 H new ATOM 0 HB2 HIS A 10 15.583 11.206 -1.570 1.00 62.43 H new ATOM 0 HB3 HIS A 10 14.688 11.919 -0.243 1.00 62.43 H new ATOM 0 HD2 HIS A 10 15.404 10.606 2.365 1.00 24.25 H new ATOM 0 HE1 HIS A 10 19.321 9.774 0.968 1.00 31.44 H new ATOM 0 HE2 HIS A 10 17.832 9.931 3.025 1.00 15.12 H new ATOM 164 N MET A 11 14.828 8.307 -2.390 1.00 4.03 N ATOM 165 CA MET A 11 15.429 7.049 -2.811 1.00 25.52 C ATOM 166 C MET A 11 16.744 7.289 -3.544 1.00 1.22 C ATOM 167 O MET A 11 16.767 7.652 -4.719 1.00 72.31 O ATOM 168 CB MET A 11 14.467 6.225 -3.683 1.00 34.44 C ATOM 169 CG MET A 11 13.926 6.963 -4.899 1.00 0.32 C ATOM 170 SD MET A 11 13.107 5.868 -6.075 1.00 72.14 S ATOM 171 CE MET A 11 11.838 5.124 -5.049 1.00 32.43 C ATOM 0 H MET A 11 14.565 8.931 -3.153 1.00 4.03 H new ATOM 0 HA MET A 11 15.638 6.472 -1.910 1.00 25.52 H new ATOM 0 HB2 MET A 11 14.982 5.326 -4.020 1.00 34.44 H new ATOM 0 HB3 MET A 11 13.628 5.900 -3.068 1.00 34.44 H new ATOM 0 HG2 MET A 11 13.222 7.728 -4.571 1.00 0.32 H new ATOM 0 HG3 MET A 11 14.746 7.478 -5.400 1.00 0.32 H new ATOM 0 HE1 MET A 11 11.156 4.549 -5.674 1.00 32.43 H new ATOM 0 HE2 MET A 11 12.303 4.464 -4.317 1.00 32.43 H new ATOM 0 HE3 MET A 11 11.283 5.907 -4.532 1.00 32.43 H new ATOM 181 N SER A 12 17.840 7.116 -2.828 1.00 71.32 N ATOM 182 CA SER A 12 19.160 7.228 -3.417 1.00 74.41 C ATOM 183 C SER A 12 19.732 5.836 -3.672 1.00 24.41 C ATOM 184 O SER A 12 20.811 5.679 -4.248 1.00 2.20 O ATOM 185 CB SER A 12 20.072 8.029 -2.490 1.00 14.01 C ATOM 186 OG SER A 12 19.907 7.617 -1.144 1.00 30.13 O ATOM 0 H SER A 12 17.841 6.896 -1.832 1.00 71.32 H new ATOM 0 HA SER A 12 19.091 7.752 -4.370 1.00 74.41 H new ATOM 0 HB2 SER A 12 21.111 7.896 -2.791 1.00 14.01 H new ATOM 0 HB3 SER A 12 19.847 9.092 -2.580 1.00 14.01 H new ATOM 0 HG SER A 12 20.501 8.141 -0.566 1.00 30.13 H new ATOM 192 N THR A 13 18.989 4.834 -3.226 1.00 4.11 N ATOM 193 CA THR A 13 19.356 3.443 -3.420 1.00 35.04 C ATOM 194 C THR A 13 18.177 2.665 -4.003 1.00 31.22 C ATOM 195 O THR A 13 17.018 2.939 -3.671 1.00 11.43 O ATOM 196 CB THR A 13 19.799 2.805 -2.087 1.00 21.45 C ATOM 197 OG1 THR A 13 18.918 3.225 -1.035 1.00 22.32 O ATOM 198 CG2 THR A 13 21.230 3.189 -1.740 1.00 71.01 C ATOM 0 H THR A 13 18.114 4.965 -2.719 1.00 4.11 H new ATOM 0 HA THR A 13 20.192 3.403 -4.119 1.00 35.04 H new ATOM 0 HB THR A 13 19.755 1.721 -2.197 1.00 21.45 H new ATOM 0 HG1 THR A 13 19.200 2.817 -0.190 1.00 22.32 H new ATOM 0 HG21 THR A 13 21.513 2.724 -0.796 1.00 71.01 H new ATOM 0 HG22 THR A 13 21.900 2.846 -2.528 1.00 71.01 H new ATOM 0 HG23 THR A 13 21.304 4.273 -1.647 1.00 71.01 H new ATOM 206 N PRO A 14 18.447 1.708 -4.900 1.00 14.22 N ATOM 207 CA PRO A 14 17.405 0.892 -5.524 1.00 5.32 C ATOM 208 C PRO A 14 16.747 -0.049 -4.522 1.00 22.32 C ATOM 209 O PRO A 14 17.394 -0.537 -3.591 1.00 31.43 O ATOM 210 CB PRO A 14 18.152 0.093 -6.604 1.00 34.30 C ATOM 211 CG PRO A 14 19.487 0.748 -6.731 1.00 22.04 C ATOM 212 CD PRO A 14 19.782 1.345 -5.386 1.00 51.34 C ATOM 0 HA PRO A 14 16.597 1.503 -5.926 1.00 5.32 H new ATOM 0 HB2 PRO A 14 18.254 -0.954 -6.318 1.00 34.30 H new ATOM 0 HB3 PRO A 14 17.613 0.114 -7.551 1.00 34.30 H new ATOM 0 HG2 PRO A 14 20.252 0.024 -7.013 1.00 22.04 H new ATOM 0 HG3 PRO A 14 19.473 1.516 -7.505 1.00 22.04 H new ATOM 0 HD2 PRO A 14 20.275 0.632 -4.725 1.00 51.34 H new ATOM 0 HD3 PRO A 14 20.436 2.214 -5.462 1.00 51.34 H new ATOM 220 N LEU A 15 15.460 -0.296 -4.715 1.00 31.11 N ATOM 221 CA LEU A 15 14.713 -1.179 -3.833 1.00 1.24 C ATOM 222 C LEU A 15 15.002 -2.637 -4.183 1.00 32.54 C ATOM 223 O LEU A 15 15.370 -2.949 -5.317 1.00 23.20 O ATOM 224 CB LEU A 15 13.209 -0.891 -3.937 1.00 71.04 C ATOM 225 CG LEU A 15 12.319 -1.659 -2.952 1.00 31.22 C ATOM 226 CD1 LEU A 15 12.646 -1.275 -1.514 1.00 31.52 C ATOM 227 CD2 LEU A 15 10.848 -1.406 -3.255 1.00 72.04 C ATOM 0 H LEU A 15 14.911 0.104 -5.476 1.00 31.11 H new ATOM 0 HA LEU A 15 15.028 -0.997 -2.806 1.00 1.24 H new ATOM 0 HB2 LEU A 15 13.050 0.177 -3.786 1.00 71.04 H new ATOM 0 HB3 LEU A 15 12.882 -1.122 -4.951 1.00 71.04 H new ATOM 0 HG LEU A 15 12.517 -2.724 -3.071 1.00 31.22 H new ATOM 0 HD11 LEU A 15 12.002 -1.832 -0.833 1.00 31.52 H new ATOM 0 HD12 LEU A 15 13.689 -1.511 -1.302 1.00 31.52 H new ATOM 0 HD13 LEU A 15 12.481 -0.206 -1.376 1.00 31.52 H new ATOM 0 HD21 LEU A 15 10.230 -1.958 -2.547 1.00 72.04 H new ATOM 0 HD22 LEU A 15 10.636 -0.340 -3.167 1.00 72.04 H new ATOM 0 HD23 LEU A 15 10.623 -1.738 -4.269 1.00 72.04 H new ATOM 239 N THR A 16 14.849 -3.513 -3.201 1.00 21.12 N ATOM 240 CA THR A 16 15.080 -4.937 -3.397 1.00 41.53 C ATOM 241 C THR A 16 13.904 -5.567 -4.148 1.00 40.42 C ATOM 242 O THR A 16 12.840 -4.958 -4.272 1.00 22.50 O ATOM 243 CB THR A 16 15.301 -5.656 -2.043 1.00 31.53 C ATOM 244 OG1 THR A 16 15.704 -7.016 -2.252 1.00 1.04 O ATOM 245 CG2 THR A 16 14.039 -5.627 -1.191 1.00 12.20 C ATOM 0 H THR A 16 14.564 -3.261 -2.255 1.00 21.12 H new ATOM 0 HA THR A 16 15.984 -5.055 -3.994 1.00 41.53 H new ATOM 0 HB THR A 16 16.092 -5.123 -1.515 1.00 31.53 H new ATOM 0 HG1 THR A 16 15.841 -7.454 -1.386 1.00 1.04 H new ATOM 0 HG21 THR A 16 14.225 -6.139 -0.247 1.00 12.20 H new ATOM 0 HG22 THR A 16 13.757 -4.593 -0.993 1.00 12.20 H new ATOM 0 HG23 THR A 16 13.230 -6.128 -1.722 1.00 12.20 H new ATOM 253 N GLY A 17 14.102 -6.779 -4.648 1.00 75.12 N ATOM 254 CA GLY A 17 13.068 -7.440 -5.420 1.00 13.32 C ATOM 255 C GLY A 17 12.180 -8.330 -4.573 1.00 32.24 C ATOM 256 O GLY A 17 11.835 -7.974 -3.445 1.00 13.13 O ATOM 0 H GLY A 17 14.961 -7.317 -4.533 1.00 75.12 H new ATOM 0 HA2 GLY A 17 12.454 -6.688 -5.915 1.00 13.32 H new ATOM 0 HA3 GLY A 17 13.533 -8.038 -6.204 1.00 13.32 H new ATOM 260 N LYS A 18 11.830 -9.494 -5.121 1.00 72.43 N ATOM 261 CA LYS A 18 10.943 -10.450 -4.456 1.00 52.54 C ATOM 262 C LYS A 18 9.550 -9.847 -4.266 1.00 24.05 C ATOM 263 O LYS A 18 9.193 -9.401 -3.173 1.00 70.03 O ATOM 264 CB LYS A 18 11.512 -10.929 -3.106 1.00 0.41 C ATOM 265 CG LYS A 18 12.733 -11.838 -3.218 1.00 4.23 C ATOM 266 CD LYS A 18 13.990 -11.070 -3.605 1.00 43.53 C ATOM 267 CE LYS A 18 15.176 -12.003 -3.781 1.00 60.41 C ATOM 268 NZ LYS A 18 16.405 -11.269 -4.188 1.00 71.02 N ATOM 0 H LYS A 18 12.153 -9.801 -6.038 1.00 72.43 H new ATOM 0 HA LYS A 18 10.867 -11.324 -5.103 1.00 52.54 H new ATOM 0 HB2 LYS A 18 11.778 -10.057 -2.509 1.00 0.41 H new ATOM 0 HB3 LYS A 18 10.729 -11.459 -2.564 1.00 0.41 H new ATOM 0 HG2 LYS A 18 12.897 -12.342 -2.266 1.00 4.23 H new ATOM 0 HG3 LYS A 18 12.540 -12.613 -3.960 1.00 4.23 H new ATOM 0 HD2 LYS A 18 13.814 -10.524 -4.532 1.00 43.53 H new ATOM 0 HD3 LYS A 18 14.217 -10.330 -2.837 1.00 43.53 H new ATOM 0 HE2 LYS A 18 15.362 -12.533 -2.847 1.00 60.41 H new ATOM 0 HE3 LYS A 18 14.937 -12.756 -4.532 1.00 60.41 H new ATOM 0 HZ1 LYS A 18 17.191 -11.941 -4.297 1.00 71.02 H new ATOM 0 HZ2 LYS A 18 16.236 -10.784 -5.092 1.00 71.02 H new ATOM 0 HZ3 LYS A 18 16.648 -10.568 -3.459 1.00 71.02 H new ATOM 282 N PRO A 19 8.741 -9.839 -5.343 1.00 43.51 N ATOM 283 CA PRO A 19 7.418 -9.195 -5.347 1.00 24.13 C ATOM 284 C PRO A 19 6.384 -9.947 -4.514 1.00 54.53 C ATOM 285 O PRO A 19 5.251 -9.486 -4.349 1.00 11.12 O ATOM 286 CB PRO A 19 7.026 -9.204 -6.825 1.00 64.11 C ATOM 287 CG PRO A 19 7.762 -10.360 -7.408 1.00 2.02 C ATOM 288 CD PRO A 19 9.054 -10.462 -6.646 1.00 3.02 C ATOM 0 HA PRO A 19 7.455 -8.200 -4.903 1.00 24.13 H new ATOM 0 HB2 PRO A 19 5.949 -9.319 -6.948 1.00 64.11 H new ATOM 0 HB3 PRO A 19 7.305 -8.271 -7.314 1.00 64.11 H new ATOM 0 HG2 PRO A 19 7.182 -11.278 -7.315 1.00 2.02 H new ATOM 0 HG3 PRO A 19 7.948 -10.207 -8.471 1.00 2.02 H new ATOM 0 HD2 PRO A 19 9.369 -11.499 -6.529 1.00 3.02 H new ATOM 0 HD3 PRO A 19 9.863 -9.939 -7.156 1.00 3.02 H new ATOM 296 N GLY A 20 6.780 -11.098 -3.981 1.00 23.14 N ATOM 297 CA GLY A 20 5.887 -11.882 -3.148 1.00 54.22 C ATOM 298 C GLY A 20 5.658 -11.239 -1.794 1.00 1.32 C ATOM 299 O GLY A 20 4.786 -11.659 -1.035 1.00 72.15 O ATOM 0 H GLY A 20 7.707 -11.503 -4.112 1.00 23.14 H new ATOM 0 HA2 GLY A 20 4.931 -12.004 -3.657 1.00 54.22 H new ATOM 0 HA3 GLY A 20 6.304 -12.880 -3.009 1.00 54.22 H new ATOM 303 N ALA A 21 6.445 -10.214 -1.492 1.00 60.44 N ATOM 304 CA ALA A 21 6.307 -9.484 -0.245 1.00 11.54 C ATOM 305 C ALA A 21 6.424 -7.987 -0.494 1.00 43.21 C ATOM 306 O ALA A 21 6.496 -7.548 -1.643 1.00 22.12 O ATOM 307 CB ALA A 21 7.356 -9.943 0.760 1.00 34.23 C ATOM 0 H ALA A 21 7.189 -9.870 -2.100 1.00 60.44 H new ATOM 0 HA ALA A 21 5.321 -9.690 0.171 1.00 11.54 H new ATOM 0 HB1 ALA A 21 7.238 -9.385 1.689 1.00 34.23 H new ATOM 0 HB2 ALA A 21 7.230 -11.008 0.957 1.00 34.23 H new ATOM 0 HB3 ALA A 21 8.352 -9.765 0.354 1.00 34.23 H new ATOM 313 N LEU A 22 6.436 -7.213 0.582 1.00 62.22 N ATOM 314 CA LEU A 22 6.552 -5.765 0.490 1.00 14.02 C ATOM 315 C LEU A 22 7.676 -5.280 1.391 1.00 11.51 C ATOM 316 O LEU A 22 7.988 -5.926 2.394 1.00 22.42 O ATOM 317 CB LEU A 22 5.241 -5.096 0.913 1.00 42.13 C ATOM 318 CG LEU A 22 4.000 -5.504 0.120 1.00 42.15 C ATOM 319 CD1 LEU A 22 2.760 -4.897 0.747 1.00 40.54 C ATOM 320 CD2 LEU A 22 4.124 -5.079 -1.337 1.00 72.45 C ATOM 0 H LEU A 22 6.366 -7.568 1.536 1.00 62.22 H new ATOM 0 HA LEU A 22 6.770 -5.500 -0.545 1.00 14.02 H new ATOM 0 HB2 LEU A 22 5.065 -5.317 1.966 1.00 42.13 H new ATOM 0 HB3 LEU A 22 5.363 -4.016 0.830 1.00 42.13 H new ATOM 0 HG LEU A 22 3.913 -6.590 0.148 1.00 42.15 H new ATOM 0 HD11 LEU A 22 1.881 -5.193 0.175 1.00 40.54 H new ATOM 0 HD12 LEU A 22 2.661 -5.250 1.773 1.00 40.54 H new ATOM 0 HD13 LEU A 22 2.845 -3.810 0.744 1.00 40.54 H new ATOM 0 HD21 LEU A 22 3.229 -5.380 -1.881 1.00 72.45 H new ATOM 0 HD22 LEU A 22 4.235 -3.996 -1.392 1.00 72.45 H new ATOM 0 HD23 LEU A 22 4.997 -5.556 -1.782 1.00 72.45 H new ATOM 332 N PRO A 23 8.308 -4.149 1.049 1.00 33.34 N ATOM 333 CA PRO A 23 9.320 -3.528 1.904 1.00 42.32 C ATOM 334 C PRO A 23 8.718 -3.043 3.220 1.00 41.20 C ATOM 335 O PRO A 23 7.633 -2.463 3.239 1.00 21.04 O ATOM 336 CB PRO A 23 9.828 -2.344 1.073 1.00 72.20 C ATOM 337 CG PRO A 23 8.744 -2.068 0.088 1.00 24.21 C ATOM 338 CD PRO A 23 8.096 -3.393 -0.199 1.00 11.35 C ATOM 0 HA PRO A 23 10.111 -4.225 2.181 1.00 42.32 H new ATOM 0 HB2 PRO A 23 10.020 -1.475 1.702 1.00 72.20 H new ATOM 0 HB3 PRO A 23 10.764 -2.588 0.571 1.00 72.20 H new ATOM 0 HG2 PRO A 23 8.021 -1.360 0.492 1.00 24.21 H new ATOM 0 HG3 PRO A 23 9.148 -1.626 -0.823 1.00 24.21 H new ATOM 0 HD2 PRO A 23 7.036 -3.282 -0.427 1.00 11.35 H new ATOM 0 HD3 PRO A 23 8.556 -3.889 -1.054 1.00 11.35 H new ATOM 346 N ALA A 24 9.416 -3.296 4.319 1.00 72.32 N ATOM 347 CA ALA A 24 8.940 -2.904 5.642 1.00 75.12 C ATOM 348 C ALA A 24 8.781 -1.388 5.759 1.00 34.54 C ATOM 349 O ALA A 24 7.988 -0.893 6.565 1.00 35.54 O ATOM 350 CB ALA A 24 9.886 -3.418 6.715 1.00 3.25 C ATOM 0 H ALA A 24 10.318 -3.773 4.322 1.00 72.32 H new ATOM 0 HA ALA A 24 7.957 -3.352 5.786 1.00 75.12 H new ATOM 0 HB1 ALA A 24 9.519 -3.119 7.697 1.00 3.25 H new ATOM 0 HB2 ALA A 24 9.938 -4.506 6.663 1.00 3.25 H new ATOM 0 HB3 ALA A 24 10.879 -2.999 6.555 1.00 3.25 H new ATOM 356 N ASN A 25 9.524 -0.653 4.942 1.00 74.13 N ATOM 357 CA ASN A 25 9.500 0.807 4.985 1.00 25.31 C ATOM 358 C ASN A 25 8.337 1.373 4.173 1.00 32.34 C ATOM 359 O ASN A 25 8.526 2.237 3.320 1.00 53.21 O ATOM 360 CB ASN A 25 10.826 1.378 4.471 1.00 71.32 C ATOM 361 CG ASN A 25 11.985 1.065 5.393 1.00 0.33 C ATOM 362 OD1 ASN A 25 12.651 0.039 5.249 1.00 62.31 O ATOM 363 ND2 ASN A 25 12.242 1.946 6.347 1.00 4.33 N ATOM 0 H ASN A 25 10.153 -1.043 4.240 1.00 74.13 H new ATOM 0 HA ASN A 25 9.361 1.104 6.024 1.00 25.31 H new ATOM 0 HB2 ASN A 25 11.033 0.973 3.481 1.00 71.32 H new ATOM 0 HB3 ASN A 25 10.735 2.459 4.361 1.00 71.32 H new ATOM 0 HD21 ASN A 25 13.014 1.786 6.994 1.00 4.33 H new ATOM 0 HD22 ASN A 25 11.668 2.785 6.435 1.00 4.33 H new ATOM 370 N LEU A 26 7.131 0.903 4.465 1.00 34.33 N ATOM 371 CA LEU A 26 5.940 1.347 3.745 1.00 62.04 C ATOM 372 C LEU A 26 5.527 2.758 4.155 1.00 13.13 C ATOM 373 O LEU A 26 4.813 3.440 3.422 1.00 61.13 O ATOM 374 CB LEU A 26 4.781 0.376 3.971 1.00 51.34 C ATOM 375 CG LEU A 26 4.941 -0.992 3.309 1.00 25.02 C ATOM 376 CD1 LEU A 26 3.766 -1.889 3.655 1.00 31.14 C ATOM 377 CD2 LEU A 26 5.071 -0.841 1.799 1.00 74.40 C ATOM 0 H LEU A 26 6.950 0.214 5.195 1.00 34.33 H new ATOM 0 HA LEU A 26 6.189 1.364 2.684 1.00 62.04 H new ATOM 0 HB2 LEU A 26 4.654 0.230 5.044 1.00 51.34 H new ATOM 0 HB3 LEU A 26 3.865 0.836 3.601 1.00 51.34 H new ATOM 0 HG LEU A 26 5.852 -1.455 3.688 1.00 25.02 H new ATOM 0 HD11 LEU A 26 3.895 -2.859 3.176 1.00 31.14 H new ATOM 0 HD12 LEU A 26 3.716 -2.022 4.736 1.00 31.14 H new ATOM 0 HD13 LEU A 26 2.842 -1.431 3.302 1.00 31.14 H new ATOM 0 HD21 LEU A 26 5.184 -1.825 1.343 1.00 74.40 H new ATOM 0 HD22 LEU A 26 4.177 -0.358 1.403 1.00 74.40 H new ATOM 0 HD23 LEU A 26 5.945 -0.232 1.568 1.00 74.40 H new ATOM 389 N ASP A 27 5.976 3.207 5.320 1.00 33.13 N ATOM 390 CA ASP A 27 5.650 4.556 5.766 1.00 34.40 C ATOM 391 C ASP A 27 6.690 5.540 5.257 1.00 34.24 C ATOM 392 O ASP A 27 6.400 6.716 5.047 1.00 13.24 O ATOM 393 CB ASP A 27 5.535 4.644 7.286 1.00 12.44 C ATOM 394 CG ASP A 27 5.130 6.034 7.742 1.00 32.14 C ATOM 395 OD1 ASP A 27 4.071 6.532 7.292 1.00 1.41 O ATOM 396 OD2 ASP A 27 5.868 6.643 8.537 1.00 61.41 O ATOM 0 H ASP A 27 6.556 2.669 5.963 1.00 33.13 H new ATOM 0 HA ASP A 27 4.676 4.814 5.351 1.00 34.40 H new ATOM 0 HB2 ASP A 27 4.802 3.918 7.637 1.00 12.44 H new ATOM 0 HB3 ASP A 27 6.490 4.377 7.739 1.00 12.44 H new ATOM 401 N ASP A 28 7.903 5.047 5.044 1.00 13.53 N ATOM 402 CA ASP A 28 8.949 5.850 4.427 1.00 12.11 C ATOM 403 C ASP A 28 8.612 6.084 2.965 1.00 61.33 C ATOM 404 O ASP A 28 9.043 7.066 2.362 1.00 25.34 O ATOM 405 CB ASP A 28 10.317 5.175 4.557 1.00 72.31 C ATOM 406 CG ASP A 28 10.833 5.165 5.981 1.00 22.21 C ATOM 407 OD1 ASP A 28 11.456 6.164 6.401 1.00 60.54 O ATOM 408 OD2 ASP A 28 10.613 4.160 6.692 1.00 54.12 O ATOM 0 H ASP A 28 8.186 4.098 5.289 1.00 13.53 H new ATOM 0 HA ASP A 28 9.003 6.807 4.946 1.00 12.11 H new ATOM 0 HB2 ASP A 28 10.247 4.150 4.193 1.00 72.31 H new ATOM 0 HB3 ASP A 28 11.034 5.692 3.919 1.00 72.31 H new ATOM 413 N MET A 29 7.830 5.169 2.406 1.00 41.30 N ATOM 414 CA MET A 29 7.295 5.331 1.066 1.00 54.52 C ATOM 415 C MET A 29 6.261 6.452 1.051 1.00 4.23 C ATOM 416 O MET A 29 5.483 6.608 1.997 1.00 11.22 O ATOM 417 CB MET A 29 6.661 4.024 0.585 1.00 64.53 C ATOM 418 CG MET A 29 7.659 2.896 0.381 1.00 4.51 C ATOM 419 SD MET A 29 8.674 3.118 -1.093 1.00 33.23 S ATOM 420 CE MET A 29 7.457 2.841 -2.378 1.00 71.10 C ATOM 0 H MET A 29 7.552 4.302 2.866 1.00 41.30 H new ATOM 0 HA MET A 29 8.111 5.591 0.391 1.00 54.52 H new ATOM 0 HB2 MET A 29 5.911 3.707 1.310 1.00 64.53 H new ATOM 0 HB3 MET A 29 6.139 4.208 -0.354 1.00 64.53 H new ATOM 0 HG2 MET A 29 8.306 2.827 1.255 1.00 4.51 H new ATOM 0 HG3 MET A 29 7.122 1.951 0.307 1.00 4.51 H new ATOM 0 HE1 MET A 29 7.907 3.030 -3.352 1.00 71.10 H new ATOM 0 HE2 MET A 29 7.109 1.809 -2.333 1.00 71.10 H new ATOM 0 HE3 MET A 29 6.613 3.515 -2.231 1.00 71.10 H new ATOM 430 N LYS A 30 6.259 7.229 -0.019 1.00 34.35 N ATOM 431 CA LYS A 30 5.365 8.375 -0.133 1.00 40.51 C ATOM 432 C LYS A 30 3.952 7.913 -0.471 1.00 11.44 C ATOM 433 O LYS A 30 3.745 6.761 -0.852 1.00 54.34 O ATOM 434 CB LYS A 30 5.870 9.330 -1.214 1.00 45.33 C ATOM 435 CG LYS A 30 7.363 9.606 -1.129 1.00 62.42 C ATOM 436 CD LYS A 30 7.856 10.392 -2.332 1.00 4.34 C ATOM 437 CE LYS A 30 9.374 10.426 -2.382 1.00 21.01 C ATOM 438 NZ LYS A 30 9.882 11.134 -3.586 1.00 41.32 N ATOM 0 H LYS A 30 6.868 7.088 -0.825 1.00 34.35 H new ATOM 0 HA LYS A 30 5.346 8.897 0.824 1.00 40.51 H new ATOM 0 HB2 LYS A 30 5.641 8.911 -2.194 1.00 45.33 H new ATOM 0 HB3 LYS A 30 5.329 10.273 -1.136 1.00 45.33 H new ATOM 0 HG2 LYS A 30 7.579 10.162 -0.217 1.00 62.42 H new ATOM 0 HG3 LYS A 30 7.905 8.662 -1.063 1.00 62.42 H new ATOM 0 HD2 LYS A 30 7.469 9.942 -3.247 1.00 4.34 H new ATOM 0 HD3 LYS A 30 7.468 11.410 -2.288 1.00 4.34 H new ATOM 0 HE2 LYS A 30 9.754 10.918 -1.487 1.00 21.01 H new ATOM 0 HE3 LYS A 30 9.759 9.406 -2.373 1.00 21.01 H new ATOM 0 HZ1 LYS A 30 10.922 11.132 -3.577 1.00 41.32 H new ATOM 0 HZ2 LYS A 30 9.542 10.651 -4.442 1.00 41.32 H new ATOM 0 HZ3 LYS A 30 9.538 12.115 -3.583 1.00 41.32 H new ATOM 452 N VAL A 31 2.988 8.818 -0.353 1.00 54.30 N ATOM 453 CA VAL A 31 1.590 8.485 -0.608 1.00 74.31 C ATOM 454 C VAL A 31 1.396 8.064 -2.064 1.00 35.13 C ATOM 455 O VAL A 31 0.785 7.033 -2.349 1.00 23.15 O ATOM 456 CB VAL A 31 0.657 9.674 -0.288 1.00 21.52 C ATOM 457 CG1 VAL A 31 -0.803 9.265 -0.416 1.00 44.11 C ATOM 458 CG2 VAL A 31 0.941 10.219 1.105 1.00 43.51 C ATOM 0 H VAL A 31 3.148 9.788 -0.082 1.00 54.30 H new ATOM 0 HA VAL A 31 1.329 7.655 0.048 1.00 74.31 H new ATOM 0 HB VAL A 31 0.853 10.464 -1.012 1.00 21.52 H new ATOM 0 HG11 VAL A 31 -1.441 10.118 -0.186 1.00 44.11 H new ATOM 0 HG12 VAL A 31 -0.999 8.929 -1.434 1.00 44.11 H new ATOM 0 HG13 VAL A 31 -1.016 8.454 0.281 1.00 44.11 H new ATOM 0 HG21 VAL A 31 0.274 11.056 1.311 1.00 43.51 H new ATOM 0 HG22 VAL A 31 0.777 9.434 1.843 1.00 43.51 H new ATOM 0 HG23 VAL A 31 1.975 10.558 1.159 1.00 43.51 H new ATOM 468 N ALA A 32 1.948 8.856 -2.975 1.00 35.15 N ATOM 469 CA ALA A 32 1.852 8.569 -4.400 1.00 33.41 C ATOM 470 C ALA A 32 2.574 7.272 -4.748 1.00 62.45 C ATOM 471 O ALA A 32 2.121 6.509 -5.600 1.00 22.33 O ATOM 472 CB ALA A 32 2.414 9.723 -5.215 1.00 1.00 C ATOM 0 H ALA A 32 2.468 9.704 -2.751 1.00 35.15 H new ATOM 0 HA ALA A 32 0.798 8.447 -4.648 1.00 33.41 H new ATOM 0 HB1 ALA A 32 2.334 9.491 -6.277 1.00 1.00 H new ATOM 0 HB2 ALA A 32 1.850 10.630 -4.998 1.00 1.00 H new ATOM 0 HB3 ALA A 32 3.461 9.876 -4.955 1.00 1.00 H new ATOM 478 N GLU A 33 3.684 7.020 -4.061 1.00 60.33 N ATOM 479 CA GLU A 33 4.493 5.832 -4.312 1.00 44.43 C ATOM 480 C GLU A 33 3.753 4.574 -3.865 1.00 34.42 C ATOM 481 O GLU A 33 3.822 3.535 -4.522 1.00 21.14 O ATOM 482 CB GLU A 33 5.836 5.940 -3.586 1.00 54.21 C ATOM 483 CG GLU A 33 6.612 7.206 -3.922 1.00 51.14 C ATOM 484 CD GLU A 33 7.070 7.268 -5.365 1.00 62.42 C ATOM 485 OE1 GLU A 33 6.213 7.373 -6.264 1.00 2.12 O ATOM 486 OE2 GLU A 33 8.296 7.234 -5.602 1.00 33.33 O ATOM 0 H GLU A 33 4.045 7.625 -3.323 1.00 60.33 H new ATOM 0 HA GLU A 33 4.678 5.763 -5.384 1.00 44.43 H new ATOM 0 HB2 GLU A 33 5.662 5.906 -2.511 1.00 54.21 H new ATOM 0 HB3 GLU A 33 6.446 5.073 -3.838 1.00 54.21 H new ATOM 0 HG2 GLU A 33 5.987 8.073 -3.710 1.00 51.14 H new ATOM 0 HG3 GLU A 33 7.482 7.273 -3.269 1.00 51.14 H new ATOM 493 N LEU A 34 3.040 4.679 -2.750 1.00 52.12 N ATOM 494 CA LEU A 34 2.208 3.582 -2.267 1.00 10.51 C ATOM 495 C LEU A 34 1.099 3.289 -3.266 1.00 31.35 C ATOM 496 O LEU A 34 0.796 2.133 -3.560 1.00 70.54 O ATOM 497 CB LEU A 34 1.600 3.926 -0.905 1.00 4.12 C ATOM 498 CG LEU A 34 2.600 4.066 0.244 1.00 75.03 C ATOM 499 CD1 LEU A 34 1.900 4.553 1.504 1.00 54.44 C ATOM 500 CD2 LEU A 34 3.296 2.737 0.503 1.00 61.24 C ATOM 0 H LEU A 34 3.021 5.513 -2.163 1.00 52.12 H new ATOM 0 HA LEU A 34 2.835 2.698 -2.156 1.00 10.51 H new ATOM 0 HB2 LEU A 34 1.047 4.861 -0.999 1.00 4.12 H new ATOM 0 HB3 LEU A 34 0.877 3.153 -0.643 1.00 4.12 H new ATOM 0 HG LEU A 34 3.351 4.803 -0.039 1.00 75.03 H new ATOM 0 HD11 LEU A 34 2.627 4.647 2.311 1.00 54.44 H new ATOM 0 HD12 LEU A 34 1.442 5.524 1.314 1.00 54.44 H new ATOM 0 HD13 LEU A 34 1.129 3.838 1.791 1.00 54.44 H new ATOM 0 HD21 LEU A 34 4.005 2.851 1.323 1.00 61.24 H new ATOM 0 HD22 LEU A 34 2.554 1.983 0.767 1.00 61.24 H new ATOM 0 HD23 LEU A 34 3.828 2.424 -0.395 1.00 61.24 H new ATOM 512 N LYS A 35 0.514 4.352 -3.806 1.00 62.34 N ATOM 513 CA LYS A 35 -0.566 4.224 -4.773 1.00 25.10 C ATOM 514 C LYS A 35 -0.066 3.645 -6.092 1.00 20.45 C ATOM 515 O LYS A 35 -0.844 3.084 -6.865 1.00 12.24 O ATOM 516 CB LYS A 35 -1.236 5.578 -5.002 1.00 23.34 C ATOM 517 CG LYS A 35 -1.964 6.101 -3.774 1.00 44.22 C ATOM 518 CD LYS A 35 -2.629 7.439 -4.036 1.00 33.24 C ATOM 519 CE LYS A 35 -3.432 7.894 -2.829 1.00 52.33 C ATOM 520 NZ LYS A 35 -4.108 9.193 -3.068 1.00 4.30 N ATOM 0 H LYS A 35 0.772 5.315 -3.589 1.00 62.34 H new ATOM 0 HA LYS A 35 -1.302 3.531 -4.365 1.00 25.10 H new ATOM 0 HB2 LYS A 35 -0.481 6.303 -5.305 1.00 23.34 H new ATOM 0 HB3 LYS A 35 -1.944 5.491 -5.826 1.00 23.34 H new ATOM 0 HG2 LYS A 35 -2.717 5.377 -3.463 1.00 44.22 H new ATOM 0 HG3 LYS A 35 -1.258 6.202 -2.949 1.00 44.22 H new ATOM 0 HD2 LYS A 35 -1.871 8.185 -4.275 1.00 33.24 H new ATOM 0 HD3 LYS A 35 -3.284 7.360 -4.904 1.00 33.24 H new ATOM 0 HE2 LYS A 35 -4.177 7.137 -2.583 1.00 52.33 H new ATOM 0 HE3 LYS A 35 -2.771 7.983 -1.967 1.00 52.33 H new ATOM 0 HZ1 LYS A 35 -4.644 9.466 -2.220 1.00 4.30 H new ATOM 0 HZ2 LYS A 35 -3.396 9.922 -3.277 1.00 4.30 H new ATOM 0 HZ3 LYS A 35 -4.758 9.103 -3.875 1.00 4.30 H new ATOM 534 N GLN A 36 1.231 3.775 -6.346 1.00 42.31 N ATOM 535 CA GLN A 36 1.839 3.181 -7.529 1.00 14.35 C ATOM 536 C GLN A 36 1.844 1.664 -7.414 1.00 12.11 C ATOM 537 O GLN A 36 1.581 0.959 -8.383 1.00 65.33 O ATOM 538 CB GLN A 36 3.265 3.695 -7.723 1.00 3.44 C ATOM 539 CG GLN A 36 3.329 5.132 -8.208 1.00 53.41 C ATOM 540 CD GLN A 36 2.809 5.303 -9.622 1.00 23.44 C ATOM 541 OE1 GLN A 36 2.225 6.335 -9.960 1.00 1.21 O ATOM 542 NE2 GLN A 36 3.032 4.307 -10.467 1.00 30.44 N ATOM 0 H GLN A 36 1.881 4.286 -5.749 1.00 42.31 H new ATOM 0 HA GLN A 36 1.247 3.470 -8.397 1.00 14.35 H new ATOM 0 HB2 GLN A 36 3.804 3.614 -6.779 1.00 3.44 H new ATOM 0 HB3 GLN A 36 3.779 3.055 -8.439 1.00 3.44 H new ATOM 0 HG2 GLN A 36 2.749 5.763 -7.535 1.00 53.41 H new ATOM 0 HG3 GLN A 36 4.361 5.480 -8.162 1.00 53.41 H new ATOM 0 HE21 GLN A 36 3.519 3.469 -10.150 1.00 30.44 H new ATOM 0 HE22 GLN A 36 2.717 4.379 -11.434 1.00 30.44 H new ATOM 551 N GLU A 37 2.127 1.167 -6.219 1.00 55.22 N ATOM 552 CA GLU A 37 2.121 -0.267 -5.982 1.00 60.12 C ATOM 553 C GLU A 37 0.688 -0.783 -5.929 1.00 30.44 C ATOM 554 O GLU A 37 0.391 -1.878 -6.407 1.00 13.13 O ATOM 555 CB GLU A 37 2.858 -0.604 -4.684 1.00 30.11 C ATOM 556 CG GLU A 37 4.303 -0.128 -4.669 1.00 64.10 C ATOM 557 CD GLU A 37 5.126 -0.712 -5.804 1.00 22.03 C ATOM 558 OE1 GLU A 37 5.723 -1.793 -5.620 1.00 44.11 O ATOM 559 OE2 GLU A 37 5.190 -0.085 -6.882 1.00 13.02 O ATOM 0 H GLU A 37 2.362 1.732 -5.403 1.00 55.22 H new ATOM 0 HA GLU A 37 2.641 -0.756 -6.806 1.00 60.12 H new ATOM 0 HB2 GLU A 37 2.326 -0.154 -3.846 1.00 30.11 H new ATOM 0 HB3 GLU A 37 2.837 -1.683 -4.533 1.00 30.11 H new ATOM 0 HG2 GLU A 37 4.323 0.960 -4.734 1.00 64.10 H new ATOM 0 HG3 GLU A 37 4.760 -0.399 -3.718 1.00 64.10 H new ATOM 566 N LEU A 38 -0.198 0.028 -5.361 1.00 62.55 N ATOM 567 CA LEU A 38 -1.613 -0.315 -5.263 1.00 31.21 C ATOM 568 C LEU A 38 -2.220 -0.556 -6.644 1.00 51.00 C ATOM 569 O LEU A 38 -2.790 -1.616 -6.899 1.00 54.43 O ATOM 570 CB LEU A 38 -2.386 0.795 -4.539 1.00 11.43 C ATOM 571 CG LEU A 38 -2.079 0.950 -3.044 1.00 25.24 C ATOM 572 CD1 LEU A 38 -2.738 2.199 -2.490 1.00 34.24 C ATOM 573 CD2 LEU A 38 -2.543 -0.271 -2.264 1.00 52.42 C ATOM 0 H LEU A 38 0.041 0.934 -4.959 1.00 62.55 H new ATOM 0 HA LEU A 38 -1.692 -1.238 -4.688 1.00 31.21 H new ATOM 0 HB2 LEU A 38 -2.175 1.743 -5.035 1.00 11.43 H new ATOM 0 HB3 LEU A 38 -3.453 0.605 -4.655 1.00 11.43 H new ATOM 0 HG LEU A 38 -0.999 1.042 -2.933 1.00 25.24 H new ATOM 0 HD11 LEU A 38 -2.508 2.291 -1.428 1.00 34.24 H new ATOM 0 HD12 LEU A 38 -2.362 3.074 -3.020 1.00 34.24 H new ATOM 0 HD13 LEU A 38 -3.818 2.130 -2.623 1.00 34.24 H new ATOM 0 HD21 LEU A 38 -2.314 -0.136 -1.207 1.00 52.42 H new ATOM 0 HD22 LEU A 38 -3.619 -0.396 -2.389 1.00 52.42 H new ATOM 0 HD23 LEU A 38 -2.029 -1.157 -2.636 1.00 52.42 H new ATOM 585 N LYS A 39 -2.073 0.418 -7.540 1.00 53.10 N ATOM 586 CA LYS A 39 -2.669 0.329 -8.873 1.00 71.42 C ATOM 587 C LYS A 39 -2.146 -0.879 -9.647 1.00 62.25 C ATOM 588 O LYS A 39 -2.876 -1.493 -10.421 1.00 50.11 O ATOM 589 CB LYS A 39 -2.413 1.605 -9.684 1.00 14.11 C ATOM 590 CG LYS A 39 -0.949 2.015 -9.751 1.00 4.21 C ATOM 591 CD LYS A 39 -0.650 2.864 -10.976 1.00 21.25 C ATOM 592 CE LYS A 39 -1.636 4.008 -11.139 1.00 43.22 C ATOM 593 NZ LYS A 39 -1.448 4.712 -12.433 1.00 44.21 N ATOM 0 H LYS A 39 -1.548 1.276 -7.369 1.00 53.10 H new ATOM 0 HA LYS A 39 -3.743 0.210 -8.727 1.00 71.42 H new ATOM 0 HB2 LYS A 39 -2.785 1.459 -10.698 1.00 14.11 H new ATOM 0 HB3 LYS A 39 -2.988 2.422 -9.248 1.00 14.11 H new ATOM 0 HG2 LYS A 39 -0.687 2.572 -8.851 1.00 4.21 H new ATOM 0 HG3 LYS A 39 -0.323 1.123 -9.767 1.00 4.21 H new ATOM 0 HD2 LYS A 39 0.360 3.266 -10.899 1.00 21.25 H new ATOM 0 HD3 LYS A 39 -0.676 2.235 -11.866 1.00 21.25 H new ATOM 0 HE2 LYS A 39 -2.654 3.623 -11.078 1.00 43.22 H new ATOM 0 HE3 LYS A 39 -1.513 4.715 -10.318 1.00 43.22 H new ATOM 0 HZ1 LYS A 39 -2.138 5.487 -12.510 1.00 44.21 H new ATOM 0 HZ2 LYS A 39 -0.484 5.100 -12.480 1.00 44.21 H new ATOM 0 HZ3 LYS A 39 -1.590 4.043 -13.216 1.00 44.21 H new ATOM 607 N LEU A 40 -0.886 -1.225 -9.426 1.00 13.50 N ATOM 608 CA LEU A 40 -0.259 -2.318 -10.154 1.00 63.42 C ATOM 609 C LEU A 40 -0.706 -3.675 -9.615 1.00 12.23 C ATOM 610 O LEU A 40 -0.687 -4.673 -10.334 1.00 2.41 O ATOM 611 CB LEU A 40 1.265 -2.193 -10.079 1.00 51.31 C ATOM 612 CG LEU A 40 1.852 -0.968 -10.786 1.00 70.04 C ATOM 613 CD1 LEU A 40 3.359 -0.926 -10.613 1.00 0.42 C ATOM 614 CD2 LEU A 40 1.487 -0.979 -12.264 1.00 60.41 C ATOM 0 H LEU A 40 -0.278 -0.765 -8.749 1.00 13.50 H new ATOM 0 HA LEU A 40 -0.573 -2.253 -11.196 1.00 63.42 H new ATOM 0 HB2 LEU A 40 1.560 -2.164 -9.030 1.00 51.31 H new ATOM 0 HB3 LEU A 40 1.709 -3.090 -10.511 1.00 51.31 H new ATOM 0 HG LEU A 40 1.427 -0.073 -10.332 1.00 70.04 H new ATOM 0 HD11 LEU A 40 3.759 -0.049 -11.122 1.00 0.42 H new ATOM 0 HD12 LEU A 40 3.602 -0.872 -9.552 1.00 0.42 H new ATOM 0 HD13 LEU A 40 3.800 -1.826 -11.041 1.00 0.42 H new ATOM 0 HD21 LEU A 40 1.912 -0.101 -12.750 1.00 60.41 H new ATOM 0 HD22 LEU A 40 1.884 -1.881 -12.730 1.00 60.41 H new ATOM 0 HD23 LEU A 40 0.402 -0.963 -12.371 1.00 60.41 H new ATOM 626 N ARG A 41 -1.128 -3.705 -8.357 1.00 41.34 N ATOM 627 CA ARG A 41 -1.510 -4.959 -7.719 1.00 22.02 C ATOM 628 C ARG A 41 -3.021 -5.042 -7.520 1.00 71.24 C ATOM 629 O ARG A 41 -3.499 -5.785 -6.663 1.00 5.43 O ATOM 630 CB ARG A 41 -0.784 -5.119 -6.381 1.00 41.12 C ATOM 631 CG ARG A 41 0.729 -5.019 -6.501 1.00 14.33 C ATOM 632 CD ARG A 41 1.429 -5.548 -5.261 1.00 10.42 C ATOM 633 NE ARG A 41 1.293 -6.999 -5.144 1.00 35.14 N ATOM 634 CZ ARG A 41 2.259 -7.812 -4.717 1.00 54.55 C ATOM 635 NH1 ARG A 41 3.427 -7.322 -4.313 1.00 43.45 N ATOM 636 NH2 ARG A 41 2.052 -9.122 -4.704 1.00 61.03 N ATOM 0 H ARG A 41 -1.214 -2.881 -7.761 1.00 41.34 H new ATOM 0 HA ARG A 41 -1.215 -5.775 -8.379 1.00 22.02 H new ATOM 0 HB2 ARG A 41 -1.138 -4.354 -5.690 1.00 41.12 H new ATOM 0 HB3 ARG A 41 -1.044 -6.085 -5.948 1.00 41.12 H new ATOM 0 HG2 ARG A 41 1.062 -5.580 -7.374 1.00 14.33 H new ATOM 0 HG3 ARG A 41 1.013 -3.979 -6.663 1.00 14.33 H new ATOM 0 HD2 ARG A 41 2.486 -5.283 -5.298 1.00 10.42 H new ATOM 0 HD3 ARG A 41 1.011 -5.070 -4.375 1.00 10.42 H new ATOM 0 HE ARG A 41 0.400 -7.417 -5.406 1.00 35.14 H new ATOM 0 HH11 ARG A 41 3.590 -6.315 -4.328 1.00 43.45 H new ATOM 0 HH12 ARG A 41 4.160 -7.953 -3.988 1.00 43.45 H new ATOM 0 HH21 ARG A 41 1.159 -9.500 -5.019 1.00 61.03 H new ATOM 0 HH22 ARG A 41 2.786 -9.751 -4.379 1.00 61.03 H new ATOM 650 N SER A 42 -3.761 -4.278 -8.327 1.00 53.01 N ATOM 651 CA SER A 42 -5.228 -4.319 -8.326 1.00 14.34 C ATOM 652 C SER A 42 -5.807 -3.846 -6.990 1.00 2.31 C ATOM 653 O SER A 42 -6.864 -4.308 -6.554 1.00 51.22 O ATOM 654 CB SER A 42 -5.719 -5.735 -8.648 1.00 1.11 C ATOM 655 OG SER A 42 -5.189 -6.191 -9.886 1.00 44.11 O ATOM 0 H SER A 42 -3.365 -3.617 -8.996 1.00 53.01 H new ATOM 0 HA SER A 42 -5.579 -3.634 -9.098 1.00 14.34 H new ATOM 0 HB2 SER A 42 -5.424 -6.416 -7.850 1.00 1.11 H new ATOM 0 HB3 SER A 42 -6.808 -5.745 -8.689 1.00 1.11 H new ATOM 0 HG SER A 42 -5.516 -7.097 -10.068 1.00 44.11 H new ATOM 661 N LEU A 43 -5.126 -2.903 -6.362 1.00 72.23 N ATOM 662 CA LEU A 43 -5.556 -2.360 -5.085 1.00 21.11 C ATOM 663 C LEU A 43 -6.041 -0.924 -5.247 1.00 40.22 C ATOM 664 O LEU A 43 -5.489 -0.166 -6.047 1.00 44.33 O ATOM 665 CB LEU A 43 -4.402 -2.420 -4.084 1.00 34.32 C ATOM 666 CG LEU A 43 -4.057 -3.817 -3.572 1.00 25.34 C ATOM 667 CD1 LEU A 43 -2.669 -3.830 -2.954 1.00 73.15 C ATOM 668 CD2 LEU A 43 -5.087 -4.258 -2.551 1.00 12.10 C ATOM 0 H LEU A 43 -4.263 -2.494 -6.721 1.00 72.23 H new ATOM 0 HA LEU A 43 -6.386 -2.959 -4.711 1.00 21.11 H new ATOM 0 HB2 LEU A 43 -3.515 -1.992 -4.551 1.00 34.32 H new ATOM 0 HB3 LEU A 43 -4.649 -1.789 -3.231 1.00 34.32 H new ATOM 0 HG LEU A 43 -4.066 -4.511 -4.412 1.00 25.34 H new ATOM 0 HD11 LEU A 43 -2.440 -4.833 -2.595 1.00 73.15 H new ATOM 0 HD12 LEU A 43 -1.934 -3.537 -3.704 1.00 73.15 H new ATOM 0 HD13 LEU A 43 -2.636 -3.129 -2.120 1.00 73.15 H new ATOM 0 HD21 LEU A 43 -4.837 -5.255 -2.189 1.00 12.10 H new ATOM 0 HD22 LEU A 43 -5.093 -3.559 -1.715 1.00 12.10 H new ATOM 0 HD23 LEU A 43 -6.073 -4.278 -3.014 1.00 12.10 H new ATOM 680 N PRO A 44 -7.097 -0.540 -4.508 1.00 1.13 N ATOM 681 CA PRO A 44 -7.638 0.824 -4.535 1.00 30.31 C ATOM 682 C PRO A 44 -6.672 1.832 -3.922 1.00 41.11 C ATOM 683 O PRO A 44 -5.873 1.491 -3.049 1.00 24.43 O ATOM 684 CB PRO A 44 -8.919 0.731 -3.690 1.00 11.31 C ATOM 685 CG PRO A 44 -9.193 -0.726 -3.544 1.00 14.43 C ATOM 686 CD PRO A 44 -7.856 -1.402 -3.597 1.00 73.12 C ATOM 0 HA PRO A 44 -7.815 1.169 -5.554 1.00 30.31 H new ATOM 0 HB2 PRO A 44 -8.783 1.204 -2.718 1.00 11.31 H new ATOM 0 HB3 PRO A 44 -9.750 1.240 -4.179 1.00 11.31 H new ATOM 0 HG2 PRO A 44 -9.700 -0.936 -2.602 1.00 14.43 H new ATOM 0 HG3 PRO A 44 -9.843 -1.083 -4.342 1.00 14.43 H new ATOM 0 HD2 PRO A 44 -7.392 -1.460 -2.613 1.00 73.12 H new ATOM 0 HD3 PRO A 44 -7.932 -2.422 -3.974 1.00 73.12 H new ATOM 694 N VAL A 45 -6.763 3.075 -4.373 1.00 23.30 N ATOM 695 CA VAL A 45 -5.842 4.119 -3.940 1.00 51.25 C ATOM 696 C VAL A 45 -6.520 5.104 -2.989 1.00 23.30 C ATOM 697 O VAL A 45 -5.908 6.076 -2.550 1.00 41.34 O ATOM 698 CB VAL A 45 -5.261 4.889 -5.148 1.00 62.04 C ATOM 699 CG1 VAL A 45 -4.463 3.953 -6.042 1.00 72.44 C ATOM 700 CG2 VAL A 45 -6.365 5.577 -5.942 1.00 3.42 C ATOM 0 H VAL A 45 -7.468 3.387 -5.041 1.00 23.30 H new ATOM 0 HA VAL A 45 -5.029 3.623 -3.410 1.00 51.25 H new ATOM 0 HB VAL A 45 -4.591 5.660 -4.767 1.00 62.04 H new ATOM 0 HG11 VAL A 45 -4.061 4.512 -6.887 1.00 72.44 H new ATOM 0 HG12 VAL A 45 -3.642 3.517 -5.472 1.00 72.44 H new ATOM 0 HG13 VAL A 45 -5.113 3.158 -6.408 1.00 72.44 H new ATOM 0 HG21 VAL A 45 -5.928 6.111 -6.786 1.00 3.42 H new ATOM 0 HG22 VAL A 45 -7.068 4.830 -6.310 1.00 3.42 H new ATOM 0 HG23 VAL A 45 -6.890 6.283 -5.299 1.00 3.42 H new ATOM 710 N SER A 46 -7.780 4.845 -2.676 1.00 3.02 N ATOM 711 CA SER A 46 -8.542 5.705 -1.781 1.00 2.21 C ATOM 712 C SER A 46 -8.264 5.347 -0.321 1.00 50.33 C ATOM 713 O SER A 46 -8.046 4.175 0.013 1.00 44.32 O ATOM 714 CB SER A 46 -10.036 5.580 -2.095 1.00 12.10 C ATOM 715 OG SER A 46 -10.821 6.426 -1.266 1.00 73.12 O ATOM 0 H SER A 46 -8.300 4.042 -3.030 1.00 3.02 H new ATOM 0 HA SER A 46 -8.234 6.739 -1.936 1.00 2.21 H new ATOM 0 HB2 SER A 46 -10.210 5.832 -3.141 1.00 12.10 H new ATOM 0 HB3 SER A 46 -10.351 4.545 -1.960 1.00 12.10 H new ATOM 0 HG SER A 46 -11.768 6.321 -1.495 1.00 73.12 H new ATOM 721 N GLY A 47 -8.276 6.358 0.540 1.00 60.24 N ATOM 722 CA GLY A 47 -7.991 6.156 1.946 1.00 31.54 C ATOM 723 C GLY A 47 -6.852 7.034 2.421 1.00 41.45 C ATOM 724 O GLY A 47 -6.239 7.750 1.622 1.00 32.22 O ATOM 0 H GLY A 47 -8.481 7.324 0.284 1.00 60.24 H new ATOM 0 HA2 GLY A 47 -8.884 6.371 2.532 1.00 31.54 H new ATOM 0 HA3 GLY A 47 -7.740 5.110 2.119 1.00 31.54 H new ATOM 728 N THR A 48 -6.570 6.997 3.716 1.00 61.34 N ATOM 729 CA THR A 48 -5.450 7.743 4.273 1.00 52.31 C ATOM 730 C THR A 48 -4.151 6.977 4.060 1.00 44.45 C ATOM 731 O THR A 48 -4.178 5.799 3.696 1.00 44.42 O ATOM 732 CB THR A 48 -5.641 8.022 5.778 1.00 44.43 C ATOM 733 OG1 THR A 48 -5.967 6.809 6.467 1.00 71.42 O ATOM 734 CG2 THR A 48 -6.738 9.048 6.007 1.00 5.22 C ATOM 0 H THR A 48 -7.101 6.459 4.400 1.00 61.34 H new ATOM 0 HA THR A 48 -5.404 8.700 3.753 1.00 52.31 H new ATOM 0 HB THR A 48 -4.705 8.421 6.168 1.00 44.43 H new ATOM 0 HG1 THR A 48 -6.926 6.629 6.377 1.00 71.42 H new ATOM 0 HG21 THR A 48 -6.852 9.226 7.076 1.00 5.22 H new ATOM 0 HG22 THR A 48 -6.473 9.981 5.510 1.00 5.22 H new ATOM 0 HG23 THR A 48 -7.677 8.674 5.599 1.00 5.22 H new ATOM 742 N LYS A 49 -3.020 7.639 4.291 1.00 73.32 N ATOM 743 CA LYS A 49 -1.717 7.016 4.089 1.00 60.22 C ATOM 744 C LYS A 49 -1.583 5.761 4.943 1.00 43.23 C ATOM 745 O LYS A 49 -1.114 4.726 4.471 1.00 45.25 O ATOM 746 CB LYS A 49 -0.594 7.999 4.423 1.00 32.25 C ATOM 747 CG LYS A 49 0.794 7.475 4.083 1.00 5.34 C ATOM 748 CD LYS A 49 1.873 8.484 4.434 1.00 3.52 C ATOM 749 CE LYS A 49 3.242 8.026 3.957 1.00 32.24 C ATOM 750 NZ LYS A 49 3.667 6.759 4.602 1.00 1.51 N ATOM 0 H LYS A 49 -2.981 8.605 4.617 1.00 73.32 H new ATOM 0 HA LYS A 49 -1.635 6.734 3.039 1.00 60.22 H new ATOM 0 HB2 LYS A 49 -0.764 8.930 3.882 1.00 32.25 H new ATOM 0 HB3 LYS A 49 -0.634 8.236 5.486 1.00 32.25 H new ATOM 0 HG2 LYS A 49 0.975 6.545 4.622 1.00 5.34 H new ATOM 0 HG3 LYS A 49 0.845 7.242 3.020 1.00 5.34 H new ATOM 0 HD2 LYS A 49 1.633 9.447 3.983 1.00 3.52 H new ATOM 0 HD3 LYS A 49 1.894 8.634 5.513 1.00 3.52 H new ATOM 0 HE2 LYS A 49 3.222 7.892 2.875 1.00 32.24 H new ATOM 0 HE3 LYS A 49 3.977 8.803 4.168 1.00 32.24 H new ATOM 0 HZ1 LYS A 49 4.695 6.642 4.494 1.00 1.51 H new ATOM 0 HZ2 LYS A 49 3.426 6.786 5.613 1.00 1.51 H new ATOM 0 HZ3 LYS A 49 3.179 5.959 4.151 1.00 1.51 H new ATOM 764 N THR A 50 -2.012 5.858 6.196 1.00 50.15 N ATOM 765 CA THR A 50 -1.963 4.733 7.119 1.00 22.11 C ATOM 766 C THR A 50 -2.757 3.545 6.574 1.00 53.54 C ATOM 767 O THR A 50 -2.282 2.409 6.594 1.00 21.42 O ATOM 768 CB THR A 50 -2.520 5.131 8.499 1.00 54.12 C ATOM 769 OG1 THR A 50 -1.828 6.295 8.982 1.00 74.12 O ATOM 770 CG2 THR A 50 -2.374 3.992 9.500 1.00 70.44 C ATOM 0 H THR A 50 -2.400 6.712 6.597 1.00 50.15 H new ATOM 0 HA THR A 50 -0.918 4.442 7.227 1.00 22.11 H new ATOM 0 HB THR A 50 -3.581 5.353 8.389 1.00 54.12 H new ATOM 0 HG1 THR A 50 -0.953 6.032 9.336 1.00 74.12 H new ATOM 0 HG21 THR A 50 -2.776 4.302 10.465 1.00 70.44 H new ATOM 0 HG22 THR A 50 -2.922 3.120 9.142 1.00 70.44 H new ATOM 0 HG23 THR A 50 -1.320 3.738 9.611 1.00 70.44 H new ATOM 778 N GLU A 51 -3.953 3.825 6.064 1.00 41.34 N ATOM 779 CA GLU A 51 -4.828 2.785 5.531 1.00 64.02 C ATOM 780 C GLU A 51 -4.221 2.139 4.296 1.00 24.44 C ATOM 781 O GLU A 51 -4.308 0.928 4.122 1.00 62.40 O ATOM 782 CB GLU A 51 -6.203 3.358 5.195 1.00 1.02 C ATOM 783 CG GLU A 51 -6.970 3.844 6.408 1.00 44.45 C ATOM 784 CD GLU A 51 -8.259 4.534 6.028 1.00 74.40 C ATOM 785 OE1 GLU A 51 -8.195 5.686 5.543 1.00 13.30 O ATOM 786 OE2 GLU A 51 -9.337 3.931 6.204 1.00 51.45 O ATOM 0 H GLU A 51 -4.340 4.767 6.009 1.00 41.34 H new ATOM 0 HA GLU A 51 -4.941 2.021 6.300 1.00 64.02 H new ATOM 0 HB2 GLU A 51 -6.082 4.186 4.496 1.00 1.02 H new ATOM 0 HB3 GLU A 51 -6.791 2.595 4.685 1.00 1.02 H new ATOM 0 HG2 GLU A 51 -7.191 2.998 7.059 1.00 44.45 H new ATOM 0 HG3 GLU A 51 -6.346 4.532 6.979 1.00 44.45 H new ATOM 793 N LEU A 52 -3.608 2.949 3.441 1.00 71.55 N ATOM 794 CA LEU A 52 -2.946 2.433 2.248 1.00 53.43 C ATOM 795 C LEU A 52 -1.841 1.460 2.643 1.00 12.51 C ATOM 796 O LEU A 52 -1.691 0.395 2.043 1.00 31.21 O ATOM 797 CB LEU A 52 -2.359 3.575 1.419 1.00 42.22 C ATOM 798 CG LEU A 52 -3.360 4.645 0.975 1.00 15.35 C ATOM 799 CD1 LEU A 52 -2.657 5.732 0.177 1.00 0.24 C ATOM 800 CD2 LEU A 52 -4.483 4.030 0.156 1.00 43.54 C ATOM 0 H LEU A 52 -3.555 3.962 3.550 1.00 71.55 H new ATOM 0 HA LEU A 52 -3.687 1.910 1.643 1.00 53.43 H new ATOM 0 HB2 LEU A 52 -1.572 4.056 2.000 1.00 42.22 H new ATOM 0 HB3 LEU A 52 -1.887 3.152 0.532 1.00 42.22 H new ATOM 0 HG LEU A 52 -3.795 5.094 1.868 1.00 15.35 H new ATOM 0 HD11 LEU A 52 -3.383 6.485 -0.131 1.00 0.24 H new ATOM 0 HD12 LEU A 52 -1.890 6.199 0.795 1.00 0.24 H new ATOM 0 HD13 LEU A 52 -2.193 5.293 -0.706 1.00 0.24 H new ATOM 0 HD21 LEU A 52 -5.181 4.810 -0.148 1.00 43.54 H new ATOM 0 HD22 LEU A 52 -4.067 3.551 -0.730 1.00 43.54 H new ATOM 0 HD23 LEU A 52 -5.008 3.288 0.758 1.00 43.54 H new ATOM 812 N ILE A 53 -1.087 1.833 3.672 1.00 44.25 N ATOM 813 CA ILE A 53 -0.015 0.993 4.193 1.00 62.30 C ATOM 814 C ILE A 53 -0.569 -0.332 4.711 1.00 73.14 C ATOM 815 O ILE A 53 -0.082 -1.405 4.354 1.00 35.15 O ATOM 816 CB ILE A 53 0.750 1.706 5.333 1.00 74.13 C ATOM 817 CG1 ILE A 53 1.405 2.990 4.815 1.00 11.22 C ATOM 818 CG2 ILE A 53 1.797 0.782 5.941 1.00 60.24 C ATOM 819 CD1 ILE A 53 2.067 3.816 5.895 1.00 72.22 C ATOM 0 H ILE A 53 -1.200 2.719 4.165 1.00 44.25 H new ATOM 0 HA ILE A 53 0.675 0.800 3.371 1.00 62.30 H new ATOM 0 HB ILE A 53 0.035 1.970 6.112 1.00 74.13 H new ATOM 0 HG12 ILE A 53 2.149 2.729 4.063 1.00 11.22 H new ATOM 0 HG13 ILE A 53 0.649 3.598 4.318 1.00 11.22 H new ATOM 0 HG21 ILE A 53 2.323 1.304 6.740 1.00 60.24 H new ATOM 0 HG22 ILE A 53 1.309 -0.104 6.346 1.00 60.24 H new ATOM 0 HG23 ILE A 53 2.510 0.484 5.172 1.00 60.24 H new ATOM 0 HD11 ILE A 53 2.508 4.709 5.451 1.00 72.22 H new ATOM 0 HD12 ILE A 53 1.323 4.109 6.636 1.00 72.22 H new ATOM 0 HD13 ILE A 53 2.847 3.227 6.377 1.00 72.22 H new ATOM 831 N GLU A 54 -1.600 -0.254 5.544 1.00 34.01 N ATOM 832 CA GLU A 54 -2.180 -1.447 6.148 1.00 0.03 C ATOM 833 C GLU A 54 -2.923 -2.291 5.116 1.00 61.00 C ATOM 834 O GLU A 54 -2.986 -3.513 5.246 1.00 65.23 O ATOM 835 CB GLU A 54 -3.107 -1.081 7.307 1.00 11.44 C ATOM 836 CG GLU A 54 -2.412 -0.295 8.404 1.00 13.55 C ATOM 837 CD GLU A 54 -3.182 -0.288 9.709 1.00 63.30 C ATOM 838 OE1 GLU A 54 -4.415 -0.095 9.685 1.00 25.54 O ATOM 839 OE2 GLU A 54 -2.550 -0.483 10.768 1.00 63.55 O ATOM 0 H GLU A 54 -2.050 0.620 5.816 1.00 34.01 H new ATOM 0 HA GLU A 54 -1.357 -2.044 6.541 1.00 0.03 H new ATOM 0 HB2 GLU A 54 -3.943 -0.496 6.924 1.00 11.44 H new ATOM 0 HB3 GLU A 54 -3.525 -1.994 7.732 1.00 11.44 H new ATOM 0 HG2 GLU A 54 -1.422 -0.719 8.575 1.00 13.55 H new ATOM 0 HG3 GLU A 54 -2.266 0.732 8.070 1.00 13.55 H new ATOM 846 N ARG A 55 -3.480 -1.646 4.093 1.00 62.53 N ATOM 847 CA ARG A 55 -4.123 -2.370 3.002 1.00 50.22 C ATOM 848 C ARG A 55 -3.096 -3.252 2.305 1.00 10.11 C ATOM 849 O ARG A 55 -3.346 -4.427 2.042 1.00 52.24 O ATOM 850 CB ARG A 55 -4.749 -1.407 1.989 1.00 70.23 C ATOM 851 CG ARG A 55 -5.585 -2.116 0.935 1.00 64.11 C ATOM 852 CD ARG A 55 -5.930 -1.210 -0.241 1.00 0.44 C ATOM 853 NE ARG A 55 -6.690 -0.024 0.154 1.00 24.12 N ATOM 854 CZ ARG A 55 -8.024 0.038 0.167 1.00 33.42 C ATOM 855 NH1 ARG A 55 -8.745 -1.061 -0.037 1.00 73.12 N ATOM 856 NH2 ARG A 55 -8.635 1.197 0.399 1.00 71.02 N ATOM 0 H ARG A 55 -3.499 -0.631 3.998 1.00 62.53 H new ATOM 0 HA ARG A 55 -4.919 -2.985 3.421 1.00 50.22 H new ATOM 0 HB2 ARG A 55 -5.374 -0.688 2.518 1.00 70.23 H new ATOM 0 HB3 ARG A 55 -3.958 -0.841 1.497 1.00 70.23 H new ATOM 0 HG2 ARG A 55 -5.042 -2.988 0.571 1.00 64.11 H new ATOM 0 HG3 ARG A 55 -6.505 -2.481 1.391 1.00 64.11 H new ATOM 0 HD2 ARG A 55 -5.009 -0.897 -0.734 1.00 0.44 H new ATOM 0 HD3 ARG A 55 -6.506 -1.777 -0.972 1.00 0.44 H new ATOM 0 HE ARG A 55 -6.169 0.806 0.437 1.00 24.12 H new ATOM 0 HH11 ARG A 55 -8.279 -1.953 -0.204 1.00 73.12 H new ATOM 0 HH12 ARG A 55 -9.764 -1.012 -0.027 1.00 73.12 H new ATOM 0 HH21 ARG A 55 -8.084 2.039 0.567 1.00 71.02 H new ATOM 0 HH22 ARG A 55 -9.654 1.243 0.409 1.00 71.02 H new ATOM 870 N LEU A 56 -1.933 -2.671 2.020 1.00 31.41 N ATOM 871 CA LEU A 56 -0.821 -3.413 1.439 1.00 23.02 C ATOM 872 C LEU A 56 -0.416 -4.574 2.342 1.00 75.20 C ATOM 873 O LEU A 56 -0.274 -5.710 1.886 1.00 1.13 O ATOM 874 CB LEU A 56 0.376 -2.483 1.216 1.00 32.12 C ATOM 875 CG LEU A 56 0.241 -1.507 0.048 1.00 74.53 C ATOM 876 CD1 LEU A 56 1.383 -0.505 0.058 1.00 52.23 C ATOM 877 CD2 LEU A 56 0.219 -2.263 -1.272 1.00 31.20 C ATOM 0 H LEU A 56 -1.737 -1.683 2.184 1.00 31.41 H new ATOM 0 HA LEU A 56 -1.143 -3.816 0.479 1.00 23.02 H new ATOM 0 HB2 LEU A 56 0.544 -1.910 2.128 1.00 32.12 H new ATOM 0 HB3 LEU A 56 1.264 -3.094 1.055 1.00 32.12 H new ATOM 0 HG LEU A 56 -0.698 -0.965 0.158 1.00 74.53 H new ATOM 0 HD11 LEU A 56 1.271 0.182 -0.780 1.00 52.23 H new ATOM 0 HD12 LEU A 56 1.366 0.056 0.992 1.00 52.23 H new ATOM 0 HD13 LEU A 56 2.332 -1.034 -0.031 1.00 52.23 H new ATOM 0 HD21 LEU A 56 0.122 -1.555 -2.095 1.00 31.20 H new ATOM 0 HD22 LEU A 56 1.146 -2.826 -1.384 1.00 31.20 H new ATOM 0 HD23 LEU A 56 -0.627 -2.950 -1.284 1.00 31.20 H new ATOM 889 N ARG A 57 -0.245 -4.274 3.626 1.00 73.04 N ATOM 890 CA ARG A 57 0.131 -5.277 4.620 1.00 23.41 C ATOM 891 C ARG A 57 -0.853 -6.440 4.632 1.00 44.43 C ATOM 892 O ARG A 57 -0.455 -7.601 4.534 1.00 64.00 O ATOM 893 CB ARG A 57 0.191 -4.643 6.012 1.00 32.23 C ATOM 894 CG ARG A 57 1.323 -3.644 6.181 1.00 55.40 C ATOM 895 CD ARG A 57 1.196 -2.877 7.489 1.00 53.45 C ATOM 896 NE ARG A 57 1.190 -3.760 8.656 1.00 52.44 N ATOM 897 CZ ARG A 57 0.901 -3.367 9.899 1.00 22.41 C ATOM 898 NH1 ARG A 57 0.587 -2.099 10.156 1.00 64.42 N ATOM 899 NH2 ARG A 57 0.925 -4.247 10.890 1.00 55.15 N ATOM 0 H ARG A 57 -0.362 -3.335 4.006 1.00 73.04 H new ATOM 0 HA ARG A 57 1.115 -5.661 4.350 1.00 23.41 H new ATOM 0 HB2 ARG A 57 -0.756 -4.143 6.215 1.00 32.23 H new ATOM 0 HB3 ARG A 57 0.301 -5.432 6.756 1.00 32.23 H new ATOM 0 HG2 ARG A 57 2.279 -4.167 6.156 1.00 55.40 H new ATOM 0 HG3 ARG A 57 1.320 -2.944 5.345 1.00 55.40 H new ATOM 0 HD2 ARG A 57 2.023 -2.172 7.575 1.00 53.45 H new ATOM 0 HD3 ARG A 57 0.277 -2.291 7.476 1.00 53.45 H new ATOM 0 HE ARG A 57 1.422 -4.742 8.510 1.00 52.44 H new ATOM 0 HH11 ARG A 57 0.565 -1.416 9.399 1.00 64.42 H new ATOM 0 HH12 ARG A 57 0.368 -1.811 11.110 1.00 64.42 H new ATOM 0 HH21 ARG A 57 1.164 -5.221 10.702 1.00 55.15 H new ATOM 0 HH22 ARG A 57 0.705 -3.950 11.841 1.00 55.15 H new ATOM 913 N ALA A 58 -2.136 -6.115 4.744 1.00 0.44 N ATOM 914 CA ALA A 58 -3.181 -7.125 4.818 1.00 44.55 C ATOM 915 C ALA A 58 -3.256 -7.941 3.537 1.00 44.44 C ATOM 916 O ALA A 58 -3.361 -9.165 3.580 1.00 2.22 O ATOM 917 CB ALA A 58 -4.525 -6.478 5.113 1.00 32.51 C ATOM 0 H ALA A 58 -2.477 -5.155 4.786 1.00 0.44 H new ATOM 0 HA ALA A 58 -2.930 -7.804 5.633 1.00 44.55 H new ATOM 0 HB1 ALA A 58 -5.296 -7.247 5.165 1.00 32.51 H new ATOM 0 HB2 ALA A 58 -4.474 -5.951 6.066 1.00 32.51 H new ATOM 0 HB3 ALA A 58 -4.771 -5.772 4.320 1.00 32.51 H new ATOM 923 N TYR A 59 -3.188 -7.260 2.398 1.00 15.52 N ATOM 924 CA TYR A 59 -3.297 -7.928 1.109 1.00 43.32 C ATOM 925 C TYR A 59 -2.115 -8.862 0.868 1.00 42.43 C ATOM 926 O TYR A 59 -2.290 -9.985 0.396 1.00 0.45 O ATOM 927 CB TYR A 59 -3.398 -6.907 -0.028 1.00 72.51 C ATOM 928 CG TYR A 59 -3.556 -7.547 -1.391 1.00 75.52 C ATOM 929 CD1 TYR A 59 -4.767 -8.104 -1.777 1.00 3.42 C ATOM 930 CD2 TYR A 59 -2.490 -7.609 -2.280 1.00 64.52 C ATOM 931 CE1 TYR A 59 -4.912 -8.704 -3.011 1.00 34.04 C ATOM 932 CE2 TYR A 59 -2.627 -8.209 -3.515 1.00 43.20 C ATOM 933 CZ TYR A 59 -3.840 -8.754 -3.877 1.00 42.44 C ATOM 934 OH TYR A 59 -3.981 -9.361 -5.106 1.00 53.51 O ATOM 0 H TYR A 59 -3.058 -6.250 2.342 1.00 15.52 H new ATOM 0 HA TYR A 59 -4.209 -8.525 1.126 1.00 43.32 H new ATOM 0 HB2 TYR A 59 -4.247 -6.249 0.158 1.00 72.51 H new ATOM 0 HB3 TYR A 59 -2.504 -6.283 -0.028 1.00 72.51 H new ATOM 0 HD1 TYR A 59 -5.609 -8.067 -1.101 1.00 3.42 H new ATOM 0 HD2 TYR A 59 -1.539 -7.181 -2.000 1.00 64.52 H new ATOM 0 HE1 TYR A 59 -5.861 -9.133 -3.297 1.00 34.04 H new ATOM 0 HE2 TYR A 59 -1.788 -8.251 -4.194 1.00 43.20 H new ATOM 0 HH TYR A 59 -3.133 -9.310 -5.595 1.00 53.51 H new ATOM 944 N GLN A 60 -0.914 -8.402 1.195 1.00 2.34 N ATOM 945 CA GLN A 60 0.291 -9.193 0.974 1.00 25.41 C ATOM 946 C GLN A 60 0.320 -10.403 1.902 1.00 73.41 C ATOM 947 O GLN A 60 0.732 -11.495 1.504 1.00 73.41 O ATOM 948 CB GLN A 60 1.544 -8.325 1.167 1.00 63.02 C ATOM 949 CG GLN A 60 2.857 -9.031 0.835 1.00 42.40 C ATOM 950 CD GLN A 60 3.360 -9.934 1.952 1.00 40.12 C ATOM 951 OE1 GLN A 60 3.127 -9.674 3.134 1.00 75.02 O ATOM 952 NE2 GLN A 60 4.043 -11.006 1.585 1.00 35.13 N ATOM 0 H GLN A 60 -0.748 -7.487 1.614 1.00 2.34 H new ATOM 0 HA GLN A 60 0.281 -9.557 -0.053 1.00 25.41 H new ATOM 0 HB2 GLN A 60 1.455 -7.436 0.542 1.00 63.02 H new ATOM 0 HB3 GLN A 60 1.580 -7.985 2.202 1.00 63.02 H new ATOM 0 HG2 GLN A 60 2.722 -9.625 -0.069 1.00 42.40 H new ATOM 0 HG3 GLN A 60 3.617 -8.282 0.614 1.00 42.40 H new ATOM 0 HE21 GLN A 60 4.215 -11.187 0.596 1.00 35.13 H new ATOM 0 HE22 GLN A 60 4.397 -11.651 2.291 1.00 35.13 H new ATOM 961 N ASP A 61 -0.138 -10.216 3.129 1.00 43.50 N ATOM 962 CA ASP A 61 -0.075 -11.274 4.129 1.00 65.11 C ATOM 963 C ASP A 61 -1.016 -12.421 3.768 1.00 43.13 C ATOM 964 O ASP A 61 -0.750 -13.580 4.091 1.00 1.03 O ATOM 965 CB ASP A 61 -0.401 -10.714 5.515 1.00 23.20 C ATOM 966 CG ASP A 61 -0.061 -11.684 6.628 1.00 64.42 C ATOM 967 OD1 ASP A 61 1.107 -12.130 6.699 1.00 44.12 O ATOM 968 OD2 ASP A 61 -0.947 -11.987 7.452 1.00 3.02 O ATOM 0 H ASP A 61 -0.556 -9.346 3.458 1.00 43.50 H new ATOM 0 HA ASP A 61 0.940 -11.671 4.149 1.00 65.11 H new ATOM 0 HB2 ASP A 61 0.149 -9.785 5.666 1.00 23.20 H new ATOM 0 HB3 ASP A 61 -1.462 -10.468 5.563 1.00 23.20 H new ATOM 973 N GLN A 62 -2.101 -12.103 3.066 1.00 4.31 N ATOM 974 CA GLN A 62 -3.055 -13.122 2.641 1.00 31.42 C ATOM 975 C GLN A 62 -2.684 -13.690 1.269 1.00 14.44 C ATOM 976 O GLN A 62 -3.373 -14.568 0.744 1.00 62.22 O ATOM 977 CB GLN A 62 -4.486 -12.575 2.618 1.00 73.44 C ATOM 978 CG GLN A 62 -4.693 -11.409 1.664 1.00 61.42 C ATOM 979 CD GLN A 62 -6.145 -10.985 1.562 1.00 1.51 C ATOM 980 OE1 GLN A 62 -6.924 -11.154 2.500 1.00 44.13 O ATOM 981 NE2 GLN A 62 -6.515 -10.420 0.423 1.00 2.34 N ATOM 0 H GLN A 62 -2.340 -11.153 2.781 1.00 4.31 H new ATOM 0 HA GLN A 62 -3.010 -13.929 3.372 1.00 31.42 H new ATOM 0 HB2 GLN A 62 -5.166 -13.381 2.342 1.00 73.44 H new ATOM 0 HB3 GLN A 62 -4.758 -12.259 3.625 1.00 73.44 H new ATOM 0 HG2 GLN A 62 -4.094 -10.562 1.998 1.00 61.42 H new ATOM 0 HG3 GLN A 62 -4.330 -11.686 0.674 1.00 61.42 H new ATOM 0 HE21 GLN A 62 -5.838 -10.299 -0.330 1.00 2.34 H new ATOM 0 HE22 GLN A 62 -7.477 -10.106 0.298 1.00 2.34 H new ATOM 990 N ILE A 63 -1.596 -13.185 0.689 1.00 2.12 N ATOM 991 CA ILE A 63 -1.065 -13.745 -0.550 1.00 35.12 C ATOM 992 C ILE A 63 -0.592 -15.168 -0.293 1.00 72.05 C ATOM 993 O ILE A 63 -0.763 -16.060 -1.126 1.00 42.02 O ATOM 994 CB ILE A 63 0.116 -12.909 -1.113 1.00 11.43 C ATOM 995 CG1 ILE A 63 -0.355 -11.514 -1.528 1.00 55.03 C ATOM 996 CG2 ILE A 63 0.775 -13.614 -2.291 1.00 13.43 C ATOM 997 CD1 ILE A 63 -1.378 -11.518 -2.640 1.00 15.52 C ATOM 0 H ILE A 63 -1.068 -12.393 1.056 1.00 2.12 H new ATOM 0 HA ILE A 63 -1.865 -13.730 -1.290 1.00 35.12 H new ATOM 0 HB ILE A 63 0.856 -12.805 -0.319 1.00 11.43 H new ATOM 0 HG12 ILE A 63 -0.780 -11.011 -0.659 1.00 55.03 H new ATOM 0 HG13 ILE A 63 0.509 -10.929 -1.844 1.00 55.03 H new ATOM 0 HG21 ILE A 63 1.599 -13.006 -2.665 1.00 13.43 H new ATOM 0 HG22 ILE A 63 1.157 -14.583 -1.968 1.00 13.43 H new ATOM 0 HG23 ILE A 63 0.042 -13.759 -3.084 1.00 13.43 H new ATOM 0 HD11 ILE A 63 -1.662 -10.493 -2.877 1.00 15.52 H new ATOM 0 HD12 ILE A 63 -0.952 -11.990 -3.525 1.00 15.52 H new ATOM 0 HD13 ILE A 63 -2.260 -12.074 -2.321 1.00 15.52 H new ATOM 1009 N SER A 64 -0.026 -15.372 0.887 1.00 72.12 N ATOM 1010 CA SER A 64 0.475 -16.674 1.283 1.00 52.11 C ATOM 1011 C SER A 64 -0.564 -17.401 2.127 1.00 53.03 C ATOM 1012 O SER A 64 -0.988 -16.893 3.163 1.00 4.04 O ATOM 1013 CB SER A 64 1.770 -16.511 2.077 1.00 43.41 C ATOM 1014 OG SER A 64 2.698 -15.692 1.378 1.00 23.23 O ATOM 0 H SER A 64 0.097 -14.644 1.591 1.00 72.12 H new ATOM 0 HA SER A 64 0.676 -17.263 0.388 1.00 52.11 H new ATOM 0 HB2 SER A 64 1.551 -16.070 3.049 1.00 43.41 H new ATOM 0 HB3 SER A 64 2.212 -17.490 2.263 1.00 43.41 H new ATOM 0 HG SER A 64 3.518 -15.601 1.907 1.00 23.23 H new ATOM 1020 N PRO A 65 -1.007 -18.586 1.680 1.00 0.23 N ATOM 1021 CA PRO A 65 -1.956 -19.406 2.432 1.00 4.45 C ATOM 1022 C PRO A 65 -1.382 -19.819 3.781 1.00 61.11 C ATOM 1023 O PRO A 65 -0.417 -20.584 3.851 1.00 63.43 O ATOM 1024 CB PRO A 65 -2.176 -20.636 1.541 1.00 41.33 C ATOM 1025 CG PRO A 65 -1.727 -20.216 0.184 1.00 43.12 C ATOM 1026 CD PRO A 65 -0.627 -19.218 0.407 1.00 40.10 C ATOM 0 HA PRO A 65 -2.880 -18.870 2.651 1.00 4.45 H new ATOM 0 HB2 PRO A 65 -1.602 -21.490 1.899 1.00 41.33 H new ATOM 0 HB3 PRO A 65 -3.224 -20.936 1.534 1.00 41.33 H new ATOM 0 HG2 PRO A 65 -1.369 -21.070 -0.391 1.00 43.12 H new ATOM 0 HG3 PRO A 65 -2.548 -19.773 -0.380 1.00 43.12 H new ATOM 0 HD2 PRO A 65 0.348 -19.700 0.471 1.00 40.10 H new ATOM 0 HD3 PRO A 65 -0.571 -18.491 -0.403 1.00 40.10 H new ATOM 1034 N VAL A 66 -1.959 -19.287 4.848 1.00 52.55 N ATOM 1035 CA VAL A 66 -1.482 -19.570 6.194 1.00 72.32 C ATOM 1036 C VAL A 66 -1.653 -21.049 6.538 1.00 14.01 C ATOM 1037 O VAL A 66 -2.601 -21.691 6.082 1.00 11.34 O ATOM 1038 CB VAL A 66 -2.206 -18.702 7.242 1.00 52.44 C ATOM 1039 CG1 VAL A 66 -1.768 -17.251 7.122 1.00 42.21 C ATOM 1040 CG2 VAL A 66 -3.713 -18.814 7.084 1.00 71.34 C ATOM 0 H VAL A 66 -2.759 -18.656 4.808 1.00 52.55 H new ATOM 0 HA VAL A 66 -0.420 -19.324 6.217 1.00 72.32 H new ATOM 0 HB VAL A 66 -1.937 -19.067 8.233 1.00 52.44 H new ATOM 0 HG11 VAL A 66 -2.288 -16.651 7.869 1.00 42.21 H new ATOM 0 HG12 VAL A 66 -0.693 -17.181 7.285 1.00 42.21 H new ATOM 0 HG13 VAL A 66 -2.009 -16.879 6.126 1.00 42.21 H new ATOM 0 HG21 VAL A 66 -4.205 -18.194 7.833 1.00 71.34 H new ATOM 0 HG22 VAL A 66 -4.001 -18.476 6.088 1.00 71.34 H new ATOM 0 HG23 VAL A 66 -4.017 -19.852 7.217 1.00 71.34 H new ATOM 1050 N PRO A 67 -0.721 -21.605 7.333 1.00 1.14 N ATOM 1051 CA PRO A 67 -0.722 -23.027 7.697 1.00 23.12 C ATOM 1052 C PRO A 67 -2.053 -23.490 8.279 1.00 24.12 C ATOM 1053 O PRO A 67 -2.742 -24.323 7.691 1.00 53.02 O ATOM 1054 CB PRO A 67 0.385 -23.128 8.748 1.00 23.13 C ATOM 1055 CG PRO A 67 1.293 -21.989 8.454 1.00 54.34 C ATOM 1056 CD PRO A 67 0.416 -20.885 7.933 1.00 23.44 C ATOM 0 HA PRO A 67 -0.564 -23.663 6.826 1.00 23.12 H new ATOM 0 HB2 PRO A 67 -0.021 -23.060 9.757 1.00 23.13 H new ATOM 0 HB3 PRO A 67 0.910 -24.081 8.679 1.00 23.13 H new ATOM 0 HG2 PRO A 67 1.826 -21.674 9.351 1.00 54.34 H new ATOM 0 HG3 PRO A 67 2.046 -22.270 7.718 1.00 54.34 H new ATOM 0 HD2 PRO A 67 0.092 -20.218 8.732 1.00 23.44 H new ATOM 0 HD3 PRO A 67 0.936 -20.272 7.197 1.00 23.44 H new ATOM 1064 N GLY A 68 -2.415 -22.948 9.431 1.00 12.02 N ATOM 1065 CA GLY A 68 -3.669 -23.310 10.050 1.00 3.41 C ATOM 1066 C GLY A 68 -4.324 -22.131 10.734 1.00 64.33 C ATOM 1067 O GLY A 68 -4.432 -22.097 11.959 1.00 43.23 O ATOM 0 H GLY A 68 -1.862 -22.264 9.947 1.00 12.02 H new ATOM 0 HA2 GLY A 68 -4.344 -23.711 9.294 1.00 3.41 H new ATOM 0 HA3 GLY A 68 -3.498 -24.103 10.778 1.00 3.41 H new ATOM 1071 N ALA A 69 -4.748 -21.158 9.947 1.00 25.23 N ATOM 1072 CA ALA A 69 -5.400 -19.974 10.481 1.00 42.10 C ATOM 1073 C ALA A 69 -6.548 -19.550 9.576 1.00 74.44 C ATOM 1074 O ALA A 69 -6.481 -19.729 8.359 1.00 45.51 O ATOM 1075 CB ALA A 69 -4.396 -18.839 10.640 1.00 30.34 C ATOM 0 H ALA A 69 -4.652 -21.164 8.932 1.00 25.23 H new ATOM 0 HA ALA A 69 -5.805 -20.213 11.464 1.00 42.10 H new ATOM 0 HB1 ALA A 69 -4.901 -17.960 11.041 1.00 30.34 H new ATOM 0 HB2 ALA A 69 -3.605 -19.146 11.324 1.00 30.34 H new ATOM 0 HB3 ALA A 69 -3.963 -18.597 9.669 1.00 30.34 H new ATOM 1081 N PRO A 70 -7.631 -19.019 10.154 1.00 21.31 N ATOM 1082 CA PRO A 70 -8.774 -18.525 9.395 1.00 4.03 C ATOM 1083 C PRO A 70 -8.518 -17.138 8.819 1.00 32.24 C ATOM 1084 O PRO A 70 -7.978 -16.262 9.500 1.00 70.24 O ATOM 1085 CB PRO A 70 -9.907 -18.462 10.435 1.00 41.24 C ATOM 1086 CG PRO A 70 -9.336 -19.020 11.700 1.00 40.35 C ATOM 1087 CD PRO A 70 -7.848 -18.866 11.592 1.00 74.13 C ATOM 0 HA PRO A 70 -8.999 -19.164 8.541 1.00 4.03 H new ATOM 0 HB2 PRO A 70 -10.248 -17.437 10.579 1.00 41.24 H new ATOM 0 HB3 PRO A 70 -10.770 -19.041 10.107 1.00 41.24 H new ATOM 0 HG2 PRO A 70 -9.720 -18.486 12.569 1.00 40.35 H new ATOM 0 HG3 PRO A 70 -9.611 -20.068 11.822 1.00 40.35 H new ATOM 0 HD2 PRO A 70 -7.511 -17.895 11.955 1.00 74.13 H new ATOM 0 HD3 PRO A 70 -7.316 -19.624 12.168 1.00 74.13 H new ATOM 1095 N LYS A 71 -8.907 -16.932 7.571 1.00 72.32 N ATOM 1096 CA LYS A 71 -8.747 -15.630 6.944 1.00 71.33 C ATOM 1097 C LYS A 71 -9.961 -14.757 7.249 1.00 34.32 C ATOM 1098 O LYS A 71 -10.726 -14.390 6.353 1.00 2.22 O ATOM 1099 CB LYS A 71 -8.549 -15.757 5.425 1.00 11.34 C ATOM 1100 CG LYS A 71 -8.177 -14.440 4.753 1.00 63.13 C ATOM 1101 CD LYS A 71 -8.183 -14.534 3.231 1.00 51.24 C ATOM 1102 CE LYS A 71 -6.973 -15.277 2.679 1.00 50.12 C ATOM 1103 NZ LYS A 71 -7.058 -16.749 2.874 1.00 70.34 N ATOM 0 H LYS A 71 -9.332 -17.643 6.976 1.00 72.32 H new ATOM 0 HA LYS A 71 -7.852 -15.162 7.355 1.00 71.33 H new ATOM 0 HB2 LYS A 71 -7.768 -16.491 5.228 1.00 11.34 H new ATOM 0 HB3 LYS A 71 -9.466 -16.139 4.977 1.00 11.34 H new ATOM 0 HG2 LYS A 71 -8.877 -13.666 5.068 1.00 63.13 H new ATOM 0 HG3 LYS A 71 -7.187 -14.132 5.090 1.00 63.13 H new ATOM 0 HD2 LYS A 71 -9.093 -15.039 2.907 1.00 51.24 H new ATOM 0 HD3 LYS A 71 -8.209 -13.529 2.810 1.00 51.24 H new ATOM 0 HE2 LYS A 71 -6.875 -15.062 1.615 1.00 50.12 H new ATOM 0 HE3 LYS A 71 -6.071 -14.903 3.164 1.00 50.12 H new ATOM 0 HZ1 LYS A 71 -6.749 -17.233 2.007 1.00 70.34 H new ATOM 0 HZ2 LYS A 71 -6.444 -17.030 3.665 1.00 70.34 H new ATOM 0 HZ3 LYS A 71 -8.041 -17.015 3.087 1.00 70.34 H new ATOM 1117 N ALA A 72 -10.149 -14.454 8.524 1.00 33.30 N ATOM 1118 CA ALA A 72 -11.254 -13.613 8.956 1.00 51.32 C ATOM 1119 C ALA A 72 -10.898 -12.862 10.235 1.00 52.43 C ATOM 1120 O ALA A 72 -11.243 -13.293 11.334 1.00 64.20 O ATOM 1121 CB ALA A 72 -12.517 -14.443 9.157 1.00 1.11 C ATOM 0 H ALA A 72 -9.548 -14.780 9.281 1.00 33.30 H new ATOM 0 HA ALA A 72 -11.446 -12.880 8.173 1.00 51.32 H new ATOM 0 HB1 ALA A 72 -13.331 -13.794 9.480 1.00 1.11 H new ATOM 0 HB2 ALA A 72 -12.788 -14.926 8.218 1.00 1.11 H new ATOM 0 HB3 ALA A 72 -12.336 -15.203 9.917 1.00 1.11 H new ATOM 1127 N PRO A 73 -10.161 -11.747 10.108 1.00 1.40 N ATOM 1128 CA PRO A 73 -9.782 -10.913 11.241 1.00 1.33 C ATOM 1129 C PRO A 73 -10.886 -9.926 11.621 1.00 51.34 C ATOM 1130 O PRO A 73 -12.017 -10.026 11.134 1.00 3.35 O ATOM 1131 CB PRO A 73 -8.537 -10.158 10.739 1.00 31.51 C ATOM 1132 CG PRO A 73 -8.338 -10.570 9.310 1.00 33.11 C ATOM 1133 CD PRO A 73 -9.618 -11.211 8.860 1.00 31.05 C ATOM 0 HA PRO A 73 -9.600 -11.504 12.138 1.00 1.33 H new ATOM 0 HB2 PRO A 73 -8.679 -9.080 10.816 1.00 31.51 H new ATOM 0 HB3 PRO A 73 -7.663 -10.408 11.340 1.00 31.51 H new ATOM 0 HG2 PRO A 73 -8.099 -9.707 8.689 1.00 33.11 H new ATOM 0 HG3 PRO A 73 -7.505 -11.267 9.221 1.00 33.11 H new ATOM 0 HD2 PRO A 73 -10.293 -10.489 8.401 1.00 31.05 H new ATOM 0 HD3 PRO A 73 -9.442 -11.996 8.124 1.00 31.05 H new ATOM 1141 N ALA A 74 -10.536 -8.973 12.482 1.00 32.12 N ATOM 1142 CA ALA A 74 -11.466 -7.954 12.967 1.00 74.43 C ATOM 1143 C ALA A 74 -12.641 -8.584 13.707 1.00 3.44 C ATOM 1144 O ALA A 74 -13.722 -8.767 13.145 1.00 63.21 O ATOM 1145 CB ALA A 74 -11.952 -7.065 11.830 1.00 53.11 C ATOM 0 H ALA A 74 -9.595 -8.885 12.865 1.00 32.12 H new ATOM 0 HA ALA A 74 -10.925 -7.326 13.675 1.00 74.43 H new ATOM 0 HB1 ALA A 74 -12.642 -6.318 12.222 1.00 53.11 H new ATOM 0 HB2 ALA A 74 -11.100 -6.566 11.369 1.00 53.11 H new ATOM 0 HB3 ALA A 74 -12.463 -7.674 11.084 1.00 53.11 H new ATOM 1151 N ALA A 75 -12.411 -8.939 14.959 1.00 51.01 N ATOM 1152 CA ALA A 75 -13.454 -9.507 15.795 1.00 34.00 C ATOM 1153 C ALA A 75 -13.562 -8.726 17.096 1.00 23.11 C ATOM 1154 O ALA A 75 -13.052 -9.205 18.127 1.00 37.44 O ATOM 1155 CB ALA A 75 -13.177 -10.977 16.071 1.00 32.34 C ATOM 1156 OXT ALA A 75 -14.123 -7.612 17.072 1.00 37.44 O ATOM 0 H ALA A 75 -11.507 -8.843 15.421 1.00 51.01 H new ATOM 0 HA ALA A 75 -14.405 -9.436 15.266 1.00 34.00 H new ATOM 0 HB1 ALA A 75 -13.969 -11.385 16.699 1.00 32.34 H new ATOM 0 HB2 ALA A 75 -13.143 -11.524 15.129 1.00 32.34 H new ATOM 0 HB3 ALA A 75 -12.220 -11.077 16.584 1.00 32.34 H new TER 1162 ALA A 75