USER MOD reduce.3.24.130724 H: found=0, std=0, add=987, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 987 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 86 THR OG1 : rot 114:sc= 0.278 USER MOD Set 1.2: A 115 GLN : amide:sc= 0.811 K(o=1.1,f=0.51) USER MOD Set 2.1: A 56 TYR OH : rot 37:sc= 0.356 USER MOD Set 2.2: A 69 HIS : no HE2:sc= -3.51! K(o=-3.2!,f=-1.6) USER MOD Set 3.1: A 33 SER OG : rot 180:sc=-0.00138 USER MOD Set 3.2: A 130 HIS : no HD1:sc= 0 X(o=-0.0014,f=-0.0014) USER MOD Single : A 1 MET CE :methyl 176:sc= -0.195 (180deg=-0.254) USER MOD Single : A 1 MET N :NH3+ -161:sc= -0.0161 (180deg=-0.283) USER MOD Single : A 2 LYS NZ :NH3+ 157:sc= 0.729 (180deg=0.457) USER MOD Single : A 5 THR OG1 : rot -64:sc= 0.655 USER MOD Single : A 6 TYR OH : rot 80:sc= 1.15 USER MOD Single : A 7 TYR OH : rot 114:sc= 0.451 USER MOD Single : A 16 SER OG : rot -26:sc= -2! USER MOD Single : A 19 LYS NZ :NH3+ 151:sc= 0.541 (180deg=0.182) USER MOD Single : A 21 THR OG1 : rot 120:sc= -0.465 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -168:sc= 0.103 (180deg=0.0774) USER MOD Single : A 28 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -0.853 K(o=-0.85,f=-3.1!) USER MOD Single : A 40 ASN : amide:sc= 0.0724 K(o=0.072,f=-5.2!) USER MOD Single : A 41 LYS NZ :NH3+ -137:sc= -0.0789 (180deg=-0.522) USER MOD Single : A 47 LYS NZ :NH3+ -174:sc= -0.0779 (180deg=-0.121) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 82:sc= 0.811 USER MOD Single : A 53 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 57 LYS NZ :NH3+ -117:sc= -0.0181 (180deg=-0.33) USER MOD Single : A 58 MET CE :methyl 158:sc= -0.571 (180deg=-1.43!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0.227 USER MOD Single : A 65 GLN : amide:sc= -0.0904 X(o=-0.09,f=-0.062) USER MOD Single : A 71 GLN : amide:sc=-0.00755 K(o=-0.0075,f=-1.2) USER MOD Single : A 74 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0583) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 165:sc= 0.435 (180deg=0.329) USER MOD Single : A 83 GLN : amide:sc= -0.736 K(o=-0.74,f=-2.6!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot -14:sc= -0.475 USER MOD Single : A 91 LYS NZ :NH3+ -175:sc= 0.242 (180deg=0.15) USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 HIS : no HD1:sc= -0.0949 X(o=-0.095,f=-0.089) USER MOD Single : A 97 THR OG1 : rot 82:sc= 0.0523 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot -34:sc= 0.126 USER MOD Single : A 106 LYS NZ :NH3+ -127:sc= 0.0118 (180deg=-0.0779) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0.915 (180deg=0.915) USER MOD Single : A 109 LYS NZ :NH3+ -164:sc= 0.527 (180deg=-0.0482) USER MOD Single : A 116 LYS NZ :NH3+ -157:sc= 0.477 (180deg=0.248) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 LYS NZ :NH3+ 150:sc= 0.665 (180deg=-0.195) USER MOD Single : A 126 HIS : no HD1:sc= 0 X(o=0,f=-0.0055) USER MOD Single : A 127 HIS : no HE2:sc=-0.00772 X(o=-0.0077,f=-0.23) USER MOD Single : A 128 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 129 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 131 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.978 -8.653 17.008 1.00 0.00 N ATOM 2 CA MET A 1 4.645 -8.607 15.688 1.00 52.33 C ATOM 3 C MET A 1 5.893 -9.480 15.679 1.00 50.23 C ATOM 4 O MET A 1 6.926 -9.119 16.243 1.00 23.31 O ATOM 5 CB MET A 1 5.031 -7.173 15.335 1.00 61.01 C ATOM 6 CG MET A 1 3.847 -6.249 15.111 1.00 75.43 C ATOM 7 SD MET A 1 4.321 -4.509 15.077 1.00 13.02 S ATOM 8 CE MET A 1 5.510 -4.476 13.739 1.00 11.14 C ATOM 0 H1 MET A 1 2.993 -8.333 16.911 1.00 0.00 H new ATOM 0 H2 MET A 1 3.991 -9.628 17.370 1.00 0.00 H new ATOM 0 H3 MET A 1 4.480 -8.030 17.673 1.00 0.00 H new ATOM 0 HA MET A 1 3.942 -8.986 14.947 1.00 52.33 H new ATOM 0 HB2 MET A 1 5.649 -6.767 16.136 1.00 61.01 H new ATOM 0 HB3 MET A 1 5.645 -7.185 14.434 1.00 61.01 H new ATOM 0 HG2 MET A 1 3.362 -6.508 14.170 1.00 75.43 H new ATOM 0 HG3 MET A 1 3.113 -6.406 15.902 1.00 75.43 H new ATOM 0 HE1 MET A 1 5.831 -3.449 13.562 1.00 11.14 H new ATOM 0 HE2 MET A 1 6.374 -5.085 14.005 1.00 11.14 H new ATOM 0 HE3 MET A 1 5.050 -4.873 12.834 1.00 11.14 H new ATOM 20 N LYS A 2 5.785 -10.636 15.046 1.00 34.23 N ATOM 21 CA LYS A 2 6.922 -11.530 14.856 1.00 14.12 C ATOM 22 C LYS A 2 7.504 -11.323 13.460 1.00 54.45 C ATOM 23 O LYS A 2 6.991 -10.513 12.704 1.00 63.34 O ATOM 24 CB LYS A 2 6.477 -12.979 15.033 1.00 4.22 C ATOM 25 CG LYS A 2 6.049 -13.316 16.451 1.00 13.30 C ATOM 26 CD LYS A 2 5.506 -14.729 16.555 1.00 5.33 C ATOM 27 CE LYS A 2 4.126 -14.846 15.935 1.00 65.13 C ATOM 28 NZ LYS A 2 3.632 -16.244 15.961 1.00 73.53 N ATOM 0 H LYS A 2 4.912 -10.983 14.650 1.00 34.23 H new ATOM 0 HA LYS A 2 7.688 -11.307 15.598 1.00 14.12 H new ATOM 0 HB2 LYS A 2 5.648 -13.181 14.355 1.00 4.22 H new ATOM 0 HB3 LYS A 2 7.294 -13.639 14.743 1.00 4.22 H new ATOM 0 HG2 LYS A 2 6.899 -13.203 17.124 1.00 13.30 H new ATOM 0 HG3 LYS A 2 5.287 -12.609 16.778 1.00 13.30 H new ATOM 0 HD2 LYS A 2 6.188 -15.419 16.058 1.00 5.33 H new ATOM 0 HD3 LYS A 2 5.461 -15.025 17.603 1.00 5.33 H new ATOM 0 HE2 LYS A 2 3.429 -14.203 16.473 1.00 65.13 H new ATOM 0 HE3 LYS A 2 4.158 -14.490 14.905 1.00 65.13 H new ATOM 0 HZ1 LYS A 2 2.593 -16.246 15.907 1.00 73.53 H new ATOM 0 HZ2 LYS A 2 4.022 -16.765 15.150 1.00 73.53 H new ATOM 0 HZ3 LYS A 2 3.934 -16.702 16.844 1.00 73.53 H new ATOM 42 N ASP A 3 8.567 -12.037 13.110 1.00 71.12 N ATOM 43 CA ASP A 3 9.105 -11.970 11.754 1.00 73.11 C ATOM 44 C ASP A 3 8.145 -12.637 10.753 1.00 21.21 C ATOM 45 O ASP A 3 7.907 -13.849 10.778 1.00 12.15 O ATOM 46 CB ASP A 3 10.534 -12.546 11.669 1.00 41.41 C ATOM 47 CG ASP A 3 10.689 -13.944 12.245 1.00 74.02 C ATOM 48 OD1 ASP A 3 10.851 -14.076 13.472 1.00 13.13 O ATOM 49 OD2 ASP A 3 10.673 -14.915 11.466 1.00 65.24 O ATOM 0 H ASP A 3 9.070 -12.664 13.738 1.00 71.12 H new ATOM 0 HA ASP A 3 9.187 -10.918 11.479 1.00 73.11 H new ATOM 0 HB2 ASP A 3 10.844 -12.562 10.624 1.00 41.41 H new ATOM 0 HB3 ASP A 3 11.214 -11.874 12.193 1.00 41.41 H new ATOM 54 N GLY A 4 7.547 -11.802 9.917 1.00 73.32 N ATOM 55 CA GLY A 4 6.566 -12.255 8.969 1.00 14.42 C ATOM 56 C GLY A 4 6.189 -11.177 7.978 1.00 23.31 C ATOM 57 O GLY A 4 6.333 -9.982 8.255 1.00 72.12 O ATOM 0 H GLY A 4 7.733 -10.800 9.884 1.00 73.32 H new ATOM 0 HA2 GLY A 4 6.955 -13.120 8.432 1.00 14.42 H new ATOM 0 HA3 GLY A 4 5.674 -12.585 9.501 1.00 14.42 H new ATOM 61 N THR A 5 5.676 -11.613 6.841 1.00 2.42 N ATOM 62 CA THR A 5 5.302 -10.726 5.759 1.00 4.34 C ATOM 63 C THR A 5 3.782 -10.554 5.744 1.00 71.33 C ATOM 64 O THR A 5 3.050 -11.459 5.332 1.00 33.40 O ATOM 65 CB THR A 5 5.774 -11.316 4.420 1.00 13.14 C ATOM 66 OG1 THR A 5 7.058 -11.922 4.586 1.00 21.01 O ATOM 67 CG2 THR A 5 5.868 -10.256 3.346 1.00 11.14 C ATOM 0 H THR A 5 5.507 -12.599 6.643 1.00 2.42 H new ATOM 0 HA THR A 5 5.773 -9.754 5.906 1.00 4.34 H new ATOM 0 HB THR A 5 5.040 -12.059 4.109 1.00 13.14 H new ATOM 0 HG1 THR A 5 7.715 -11.236 4.828 1.00 21.01 H new ATOM 0 HG21 THR A 5 6.205 -10.711 2.414 1.00 11.14 H new ATOM 0 HG22 THR A 5 4.888 -9.803 3.195 1.00 11.14 H new ATOM 0 HG23 THR A 5 6.579 -9.489 3.653 1.00 11.14 H new ATOM 75 N TYR A 6 3.319 -9.397 6.196 1.00 40.43 N ATOM 76 CA TYR A 6 1.892 -9.159 6.418 1.00 4.15 C ATOM 77 C TYR A 6 1.310 -8.330 5.294 1.00 50.32 C ATOM 78 O TYR A 6 1.592 -7.153 5.208 1.00 4.04 O ATOM 79 CB TYR A 6 1.654 -8.375 7.716 1.00 74.40 C ATOM 80 CG TYR A 6 2.407 -8.816 8.947 1.00 11.24 C ATOM 81 CD1 TYR A 6 2.680 -10.144 9.230 1.00 3.23 C ATOM 82 CD2 TYR A 6 2.814 -7.868 9.851 1.00 23.40 C ATOM 83 CE1 TYR A 6 3.338 -10.500 10.384 1.00 10.24 C ATOM 84 CE2 TYR A 6 3.470 -8.214 10.999 1.00 50.14 C ATOM 85 CZ TYR A 6 3.733 -9.525 11.263 1.00 42.22 C ATOM 86 OH TYR A 6 4.361 -9.860 12.423 1.00 51.11 O ATOM 0 H TYR A 6 3.914 -8.599 6.419 1.00 40.43 H new ATOM 0 HA TYR A 6 1.416 -10.138 6.471 1.00 4.15 H new ATOM 0 HB2 TYR A 6 1.901 -7.330 7.527 1.00 74.40 H new ATOM 0 HB3 TYR A 6 0.588 -8.415 7.942 1.00 74.40 H new ATOM 0 HD1 TYR A 6 2.372 -10.911 8.535 1.00 3.23 H new ATOM 0 HD2 TYR A 6 2.612 -6.826 9.651 1.00 23.40 H new ATOM 0 HE1 TYR A 6 3.542 -11.539 10.596 1.00 10.24 H new ATOM 0 HE2 TYR A 6 3.780 -7.449 11.696 1.00 50.14 H new ATOM 0 HH TYR A 6 5.305 -10.049 12.241 1.00 51.11 H new ATOM 96 N TYR A 7 0.483 -8.901 4.454 1.00 22.43 N ATOM 97 CA TYR A 7 -0.096 -8.127 3.375 1.00 40.21 C ATOM 98 C TYR A 7 -1.613 -8.055 3.522 1.00 11.15 C ATOM 99 O TYR A 7 -2.240 -8.961 4.080 1.00 11.12 O ATOM 100 CB TYR A 7 0.366 -8.685 2.001 1.00 14.44 C ATOM 101 CG TYR A 7 -0.684 -9.378 1.147 1.00 1.10 C ATOM 102 CD1 TYR A 7 -1.015 -10.708 1.351 1.00 61.11 C ATOM 103 CD2 TYR A 7 -1.331 -8.691 0.132 1.00 75.53 C ATOM 104 CE1 TYR A 7 -1.964 -11.332 0.569 1.00 43.12 C ATOM 105 CE2 TYR A 7 -2.281 -9.310 -0.654 1.00 45.11 C ATOM 106 CZ TYR A 7 -2.594 -10.626 -0.432 1.00 23.43 C ATOM 107 OH TYR A 7 -3.540 -11.242 -1.214 1.00 10.32 O ATOM 0 H TYR A 7 0.197 -9.879 4.490 1.00 22.43 H new ATOM 0 HA TYR A 7 0.265 -7.100 3.428 1.00 40.21 H new ATOM 0 HB2 TYR A 7 0.781 -7.860 1.423 1.00 14.44 H new ATOM 0 HB3 TYR A 7 1.178 -9.391 2.178 1.00 14.44 H new ATOM 0 HD1 TYR A 7 -0.522 -11.264 2.135 1.00 61.11 H new ATOM 0 HD2 TYR A 7 -1.088 -7.654 -0.047 1.00 75.53 H new ATOM 0 HE1 TYR A 7 -2.212 -12.369 0.741 1.00 43.12 H new ATOM 0 HE2 TYR A 7 -2.776 -8.760 -1.441 1.00 45.11 H new ATOM 0 HH TYR A 7 -4.415 -10.831 -1.053 1.00 10.32 H new ATOM 117 N ALA A 8 -2.184 -6.956 3.051 1.00 70.04 N ATOM 118 CA ALA A 8 -3.623 -6.810 2.967 1.00 12.15 C ATOM 119 C ALA A 8 -3.995 -6.230 1.631 1.00 24.12 C ATOM 120 O ALA A 8 -3.246 -5.441 1.072 1.00 65.12 O ATOM 121 CB ALA A 8 -4.153 -5.929 4.067 1.00 0.51 C ATOM 0 H ALA A 8 -1.662 -6.145 2.718 1.00 70.04 H new ATOM 0 HA ALA A 8 -4.070 -7.798 3.081 1.00 12.15 H new ATOM 0 HB1 ALA A 8 -5.235 -5.841 3.973 1.00 0.51 H new ATOM 0 HB2 ALA A 8 -3.907 -6.367 5.034 1.00 0.51 H new ATOM 0 HB3 ALA A 8 -3.701 -4.940 3.991 1.00 0.51 H new ATOM 127 N GLU A 9 -5.155 -6.604 1.141 1.00 64.10 N ATOM 128 CA GLU A 9 -5.619 -6.151 -0.155 1.00 14.43 C ATOM 129 C GLU A 9 -6.855 -5.285 0.021 1.00 42.04 C ATOM 130 O GLU A 9 -7.567 -5.404 1.031 1.00 41.53 O ATOM 131 CB GLU A 9 -5.897 -7.362 -1.056 1.00 53.04 C ATOM 132 CG GLU A 9 -7.069 -8.228 -0.606 1.00 51.10 C ATOM 133 CD GLU A 9 -7.192 -9.513 -1.383 1.00 25.24 C ATOM 134 OE1 GLU A 9 -6.411 -10.443 -1.124 1.00 33.01 O ATOM 135 OE2 GLU A 9 -8.086 -9.608 -2.246 1.00 20.24 O ATOM 0 H GLU A 9 -5.802 -7.227 1.625 1.00 64.10 H new ATOM 0 HA GLU A 9 -4.851 -5.546 -0.637 1.00 14.43 H new ATOM 0 HB2 GLU A 9 -6.090 -7.009 -2.069 1.00 53.04 H new ATOM 0 HB3 GLU A 9 -5.000 -7.980 -1.100 1.00 53.04 H new ATOM 0 HG2 GLU A 9 -6.954 -8.461 0.453 1.00 51.10 H new ATOM 0 HG3 GLU A 9 -7.993 -7.659 -0.709 1.00 51.10 H new ATOM 142 N ALA A 10 -7.065 -4.363 -0.920 1.00 43.14 N ATOM 143 CA ALA A 10 -8.226 -3.476 -0.906 1.00 50.41 C ATOM 144 C ALA A 10 -9.526 -4.276 -1.021 1.00 61.13 C ATOM 145 O ALA A 10 -9.534 -5.395 -1.547 1.00 21.34 O ATOM 146 CB ALA A 10 -8.122 -2.453 -2.023 1.00 42.34 C ATOM 0 H ALA A 10 -6.437 -4.212 -1.709 1.00 43.14 H new ATOM 0 HA ALA A 10 -8.242 -2.947 0.047 1.00 50.41 H new ATOM 0 HB1 ALA A 10 -8.994 -1.799 -2.000 1.00 42.34 H new ATOM 0 HB2 ALA A 10 -7.219 -1.858 -1.889 1.00 42.34 H new ATOM 0 HB3 ALA A 10 -8.079 -2.966 -2.984 1.00 42.34 H new ATOM 152 N ASP A 11 -10.607 -3.697 -0.511 1.00 41.15 N ATOM 153 CA ASP A 11 -11.910 -4.377 -0.417 1.00 51.32 C ATOM 154 C ASP A 11 -12.440 -4.730 -1.800 1.00 13.44 C ATOM 155 O ASP A 11 -12.815 -5.871 -2.063 1.00 62.53 O ATOM 156 CB ASP A 11 -12.913 -3.496 0.330 1.00 40.40 C ATOM 157 CG ASP A 11 -12.358 -2.998 1.646 1.00 1.50 C ATOM 158 OD1 ASP A 11 -12.367 -3.756 2.633 1.00 44.05 O ATOM 159 OD2 ASP A 11 -11.877 -1.849 1.689 1.00 52.42 O ATOM 0 H ASP A 11 -10.613 -2.743 -0.149 1.00 41.15 H new ATOM 0 HA ASP A 11 -11.773 -5.304 0.140 1.00 51.32 H new ATOM 0 HB2 ASP A 11 -13.184 -2.645 -0.295 1.00 40.40 H new ATOM 0 HB3 ASP A 11 -13.827 -4.061 0.512 1.00 40.40 H new ATOM 164 N ASP A 12 -12.423 -3.749 -2.679 1.00 50.21 N ATOM 165 CA ASP A 12 -12.695 -3.948 -4.086 1.00 54.40 C ATOM 166 C ASP A 12 -11.654 -3.173 -4.897 1.00 50.55 C ATOM 167 O ASP A 12 -10.636 -2.746 -4.342 1.00 23.22 O ATOM 168 CB ASP A 12 -14.140 -3.530 -4.436 1.00 32.53 C ATOM 169 CG ASP A 12 -14.501 -2.114 -4.012 1.00 34.34 C ATOM 170 OD1 ASP A 12 -14.812 -1.906 -2.824 1.00 23.15 O ATOM 171 OD2 ASP A 12 -14.511 -1.218 -4.875 1.00 51.40 O ATOM 0 H ASP A 12 -12.218 -2.781 -2.433 1.00 50.21 H new ATOM 0 HA ASP A 12 -12.617 -5.006 -4.336 1.00 54.40 H new ATOM 0 HB2 ASP A 12 -14.282 -3.622 -5.513 1.00 32.53 H new ATOM 0 HB3 ASP A 12 -14.832 -4.226 -3.963 1.00 32.53 H new ATOM 176 N PHE A 13 -11.888 -3.010 -6.191 1.00 12.11 N ATOM 177 CA PHE A 13 -10.937 -2.326 -7.063 1.00 3.21 C ATOM 178 C PHE A 13 -11.216 -0.827 -7.065 1.00 41.45 C ATOM 179 O PHE A 13 -12.369 -0.401 -7.145 1.00 70.02 O ATOM 180 CB PHE A 13 -10.990 -2.906 -8.484 1.00 43.21 C ATOM 181 CG PHE A 13 -10.648 -4.374 -8.534 1.00 32.41 C ATOM 182 CD1 PHE A 13 -9.327 -4.784 -8.512 1.00 44.43 C ATOM 183 CD2 PHE A 13 -11.643 -5.342 -8.586 1.00 3.44 C ATOM 184 CE1 PHE A 13 -9.002 -6.124 -8.543 1.00 13.32 C ATOM 185 CE2 PHE A 13 -11.318 -6.687 -8.619 1.00 70.03 C ATOM 186 CZ PHE A 13 -9.994 -7.075 -8.596 1.00 61.24 C ATOM 0 H PHE A 13 -12.729 -3.342 -6.663 1.00 12.11 H new ATOM 0 HA PHE A 13 -9.929 -2.485 -6.681 1.00 3.21 H new ATOM 0 HB2 PHE A 13 -11.989 -2.757 -8.894 1.00 43.21 H new ATOM 0 HB3 PHE A 13 -10.298 -2.355 -9.121 1.00 43.21 H new ATOM 0 HD1 PHE A 13 -8.540 -4.045 -8.470 1.00 44.43 H new ATOM 0 HD2 PHE A 13 -12.680 -5.042 -8.601 1.00 3.44 H new ATOM 0 HE1 PHE A 13 -7.966 -6.427 -8.526 1.00 13.32 H new ATOM 0 HE2 PHE A 13 -12.099 -7.431 -8.663 1.00 70.03 H new ATOM 0 HZ PHE A 13 -9.737 -8.124 -8.620 1.00 61.24 H new ATOM 196 N ASP A 14 -10.152 -0.036 -6.978 1.00 11.42 N ATOM 197 CA ASP A 14 -10.259 1.406 -6.779 1.00 1.13 C ATOM 198 C ASP A 14 -10.410 2.138 -8.136 1.00 33.42 C ATOM 199 O ASP A 14 -10.953 1.576 -9.097 1.00 13.30 O ATOM 200 CB ASP A 14 -9.015 1.872 -6.003 1.00 13.31 C ATOM 201 CG ASP A 14 -9.243 3.088 -5.121 1.00 52.24 C ATOM 202 OD1 ASP A 14 -9.636 2.914 -3.952 1.00 3.12 O ATOM 203 OD2 ASP A 14 -8.988 4.218 -5.580 1.00 62.43 O ATOM 0 H ASP A 14 -9.192 -0.375 -7.043 1.00 11.42 H new ATOM 0 HA ASP A 14 -11.151 1.648 -6.201 1.00 1.13 H new ATOM 0 HB2 ASP A 14 -8.660 1.049 -5.382 1.00 13.31 H new ATOM 0 HB3 ASP A 14 -8.222 2.099 -6.715 1.00 13.31 H new ATOM 208 N GLU A 15 -9.929 3.382 -8.220 1.00 73.34 N ATOM 209 CA GLU A 15 -10.220 4.265 -9.350 1.00 62.54 C ATOM 210 C GLU A 15 -9.394 3.942 -10.589 1.00 43.32 C ATOM 211 O GLU A 15 -9.829 4.227 -11.699 1.00 51.35 O ATOM 212 CB GLU A 15 -10.033 5.730 -8.949 1.00 44.54 C ATOM 213 CG GLU A 15 -10.993 6.164 -7.855 1.00 32.41 C ATOM 214 CD GLU A 15 -10.852 7.613 -7.470 1.00 22.23 C ATOM 215 OE1 GLU A 15 -9.792 7.991 -6.952 1.00 70.45 O ATOM 216 OE2 GLU A 15 -11.821 8.375 -7.651 1.00 3.34 O ATOM 0 H GLU A 15 -9.330 3.802 -7.510 1.00 73.34 H new ATOM 0 HA GLU A 15 -11.263 4.094 -9.617 1.00 62.54 H new ATOM 0 HB2 GLU A 15 -9.008 5.882 -8.609 1.00 44.54 H new ATOM 0 HB3 GLU A 15 -10.176 6.363 -9.825 1.00 44.54 H new ATOM 0 HG2 GLU A 15 -12.015 5.983 -8.187 1.00 32.41 H new ATOM 0 HG3 GLU A 15 -10.830 5.545 -6.973 1.00 32.41 H new ATOM 223 N SER A 16 -8.225 3.329 -10.419 1.00 54.13 N ATOM 224 CA SER A 16 -7.450 2.862 -11.569 1.00 41.42 C ATOM 225 C SER A 16 -7.712 1.378 -11.825 1.00 50.31 C ATOM 226 O SER A 16 -7.126 0.782 -12.735 1.00 64.41 O ATOM 227 CB SER A 16 -5.957 3.082 -11.359 1.00 65.52 C ATOM 228 OG SER A 16 -5.707 4.368 -10.842 1.00 32.13 O ATOM 0 H SER A 16 -7.797 3.145 -9.511 1.00 54.13 H new ATOM 0 HA SER A 16 -7.769 3.443 -12.435 1.00 41.42 H new ATOM 0 HB2 SER A 16 -5.567 2.328 -10.675 1.00 65.52 H new ATOM 0 HB3 SER A 16 -5.430 2.957 -12.305 1.00 65.52 H new ATOM 0 HG SER A 16 -6.428 4.975 -11.112 1.00 32.13 H new ATOM 234 N GLY A 17 -8.604 0.788 -11.021 1.00 74.23 N ATOM 235 CA GLY A 17 -8.981 -0.597 -11.207 1.00 33.24 C ATOM 236 C GLY A 17 -7.990 -1.551 -10.598 1.00 1.23 C ATOM 237 O GLY A 17 -7.900 -2.700 -11.011 1.00 42.21 O ATOM 0 H GLY A 17 -9.070 1.254 -10.243 1.00 74.23 H new ATOM 0 HA2 GLY A 17 -9.962 -0.766 -10.764 1.00 33.24 H new ATOM 0 HA3 GLY A 17 -9.073 -0.805 -12.273 1.00 33.24 H new ATOM 241 N TRP A 18 -7.231 -1.067 -9.630 1.00 54.40 N ATOM 242 CA TRP A 18 -6.280 -1.896 -8.930 1.00 52.00 C ATOM 243 C TRP A 18 -6.747 -2.130 -7.505 1.00 44.21 C ATOM 244 O TRP A 18 -7.502 -1.346 -6.931 1.00 13.23 O ATOM 245 CB TRP A 18 -4.868 -1.284 -8.945 1.00 10.22 C ATOM 246 CG TRP A 18 -4.220 -1.258 -10.302 1.00 42.32 C ATOM 247 CD1 TRP A 18 -4.370 -0.304 -11.265 1.00 74.55 C ATOM 248 CD2 TRP A 18 -3.311 -2.226 -10.844 1.00 60.10 C ATOM 249 NE1 TRP A 18 -3.636 -0.636 -12.373 1.00 23.31 N ATOM 250 CE2 TRP A 18 -2.977 -1.806 -12.136 1.00 2.25 C ATOM 251 CE3 TRP A 18 -2.753 -3.407 -10.369 1.00 35.10 C ATOM 252 CZ2 TRP A 18 -2.114 -2.529 -12.951 1.00 40.25 C ATOM 253 CZ3 TRP A 18 -1.895 -4.121 -11.178 1.00 30.23 C ATOM 254 CH2 TRP A 18 -1.583 -3.679 -12.457 1.00 21.03 C ATOM 0 H TRP A 18 -7.260 -0.098 -9.314 1.00 54.40 H new ATOM 0 HA TRP A 18 -6.222 -2.853 -9.449 1.00 52.00 H new ATOM 0 HB2 TRP A 18 -4.922 -0.265 -8.561 1.00 10.22 H new ATOM 0 HB3 TRP A 18 -4.233 -1.848 -8.262 1.00 10.22 H new ATOM 0 HD1 TRP A 18 -4.978 0.583 -11.168 1.00 74.55 H new ATOM 0 HE1 TRP A 18 -3.590 -0.095 -13.236 1.00 23.31 H new ATOM 0 HE3 TRP A 18 -2.989 -3.762 -9.377 1.00 35.10 H new ATOM 0 HZ2 TRP A 18 -1.872 -2.188 -13.947 1.00 40.25 H new ATOM 0 HZ3 TRP A 18 -1.459 -5.038 -10.811 1.00 30.23 H new ATOM 0 HH2 TRP A 18 -0.908 -4.258 -13.069 1.00 21.03 H new ATOM 265 N LYS A 19 -6.353 -3.258 -6.985 1.00 52.34 N ATOM 266 CA LYS A 19 -6.569 -3.602 -5.611 1.00 2.50 C ATOM 267 C LYS A 19 -5.247 -3.423 -4.897 1.00 35.23 C ATOM 268 O LYS A 19 -4.380 -4.297 -4.970 1.00 74.13 O ATOM 269 CB LYS A 19 -7.062 -5.048 -5.529 1.00 35.41 C ATOM 270 CG LYS A 19 -7.429 -5.506 -4.146 1.00 64.22 C ATOM 271 CD LYS A 19 -7.850 -6.957 -4.146 1.00 23.03 C ATOM 272 CE LYS A 19 -9.268 -7.141 -4.641 1.00 62.31 C ATOM 273 NZ LYS A 19 -9.667 -8.567 -4.598 1.00 1.14 N ATOM 0 H LYS A 19 -5.863 -3.978 -7.516 1.00 52.34 H new ATOM 0 HA LYS A 19 -7.325 -2.970 -5.144 1.00 2.50 H new ATOM 0 HB2 LYS A 19 -7.931 -5.159 -6.177 1.00 35.41 H new ATOM 0 HB3 LYS A 19 -6.286 -5.705 -5.921 1.00 35.41 H new ATOM 0 HG2 LYS A 19 -6.579 -5.371 -3.478 1.00 64.22 H new ATOM 0 HG3 LYS A 19 -8.240 -4.889 -3.759 1.00 64.22 H new ATOM 0 HD2 LYS A 19 -7.170 -7.531 -4.776 1.00 23.03 H new ATOM 0 HD3 LYS A 19 -7.765 -7.358 -3.136 1.00 23.03 H new ATOM 0 HE2 LYS A 19 -9.950 -6.551 -4.029 1.00 62.31 H new ATOM 0 HE3 LYS A 19 -9.352 -6.767 -5.662 1.00 62.31 H new ATOM 0 HZ1 LYS A 19 -10.695 -8.636 -4.455 1.00 1.14 H new ATOM 0 HZ2 LYS A 19 -9.410 -9.026 -5.495 1.00 1.14 H new ATOM 0 HZ3 LYS A 19 -9.176 -9.041 -3.813 1.00 1.14 H new ATOM 287 N ASP A 20 -5.084 -2.266 -4.261 1.00 22.34 N ATOM 288 CA ASP A 20 -3.821 -1.905 -3.630 1.00 62.32 C ATOM 289 C ASP A 20 -3.542 -2.774 -2.433 1.00 32.32 C ATOM 290 O ASP A 20 -4.396 -2.951 -1.556 1.00 42.12 O ATOM 291 CB ASP A 20 -3.803 -0.446 -3.195 1.00 10.45 C ATOM 292 CG ASP A 20 -3.309 0.500 -4.268 1.00 71.14 C ATOM 293 OD1 ASP A 20 -2.708 0.033 -5.264 1.00 53.33 O ATOM 294 OD2 ASP A 20 -3.483 1.725 -4.082 1.00 40.43 O ATOM 0 H ASP A 20 -5.815 -1.561 -4.170 1.00 22.34 H new ATOM 0 HA ASP A 20 -3.046 -2.059 -4.380 1.00 62.32 H new ATOM 0 HB2 ASP A 20 -4.810 -0.152 -2.898 1.00 10.45 H new ATOM 0 HB3 ASP A 20 -3.169 -0.346 -2.314 1.00 10.45 H new ATOM 299 N THR A 21 -2.352 -3.333 -2.417 1.00 73.32 N ATOM 300 CA THR A 21 -1.927 -4.166 -1.330 1.00 42.31 C ATOM 301 C THR A 21 -0.742 -3.516 -0.636 1.00 61.24 C ATOM 302 O THR A 21 0.181 -3.006 -1.289 1.00 50.34 O ATOM 303 CB THR A 21 -1.570 -5.618 -1.784 1.00 35.32 C ATOM 304 OG1 THR A 21 -0.368 -5.643 -2.551 1.00 32.44 O ATOM 305 CG2 THR A 21 -2.690 -6.233 -2.618 1.00 42.55 C ATOM 0 H THR A 21 -1.659 -3.219 -3.157 1.00 73.32 H new ATOM 0 HA THR A 21 -2.762 -4.259 -0.636 1.00 42.31 H new ATOM 0 HB THR A 21 -1.433 -6.201 -0.873 1.00 35.32 H new ATOM 0 HG1 THR A 21 0.294 -6.210 -2.103 1.00 32.44 H new ATOM 0 HG21 THR A 21 -2.409 -7.243 -2.917 1.00 42.55 H new ATOM 0 HG22 THR A 21 -3.605 -6.271 -2.027 1.00 42.55 H new ATOM 0 HG23 THR A 21 -2.858 -5.625 -3.507 1.00 42.55 H new ATOM 313 N VAL A 22 -0.778 -3.517 0.683 1.00 23.13 N ATOM 314 CA VAL A 22 0.294 -2.946 1.478 1.00 14.44 C ATOM 315 C VAL A 22 0.912 -4.055 2.302 1.00 14.12 C ATOM 316 O VAL A 22 0.278 -4.622 3.198 1.00 41.13 O ATOM 317 CB VAL A 22 -0.183 -1.764 2.378 1.00 33.55 C ATOM 318 CG1 VAL A 22 0.911 -1.290 3.320 1.00 42.52 C ATOM 319 CG2 VAL A 22 -0.636 -0.590 1.525 1.00 54.23 C ATOM 0 H VAL A 22 -1.544 -3.910 1.230 1.00 23.13 H new ATOM 0 HA VAL A 22 1.037 -2.515 0.807 1.00 14.44 H new ATOM 0 HB VAL A 22 -1.017 -2.138 2.972 1.00 33.55 H new ATOM 0 HG11 VAL A 22 0.536 -0.466 3.928 1.00 42.52 H new ATOM 0 HG12 VAL A 22 1.213 -2.112 3.969 1.00 42.52 H new ATOM 0 HG13 VAL A 22 1.769 -0.951 2.740 1.00 42.52 H new ATOM 0 HG21 VAL A 22 -0.965 0.224 2.171 1.00 54.23 H new ATOM 0 HG22 VAL A 22 0.193 -0.249 0.905 1.00 54.23 H new ATOM 0 HG23 VAL A 22 -1.462 -0.902 0.886 1.00 54.23 H new ATOM 329 N THR A 23 2.132 -4.395 1.936 1.00 25.41 N ATOM 330 CA THR A 23 2.830 -5.494 2.545 1.00 42.03 C ATOM 331 C THR A 23 3.819 -4.986 3.593 1.00 13.12 C ATOM 332 O THR A 23 4.840 -4.409 3.268 1.00 13.11 O ATOM 333 CB THR A 23 3.572 -6.307 1.471 1.00 55.54 C ATOM 334 OG1 THR A 23 2.718 -6.531 0.339 1.00 24.20 O ATOM 335 CG2 THR A 23 4.011 -7.636 2.033 1.00 54.35 C ATOM 0 H THR A 23 2.661 -3.914 1.209 1.00 25.41 H new ATOM 0 HA THR A 23 2.101 -6.137 3.038 1.00 42.03 H new ATOM 0 HB THR A 23 4.448 -5.740 1.156 1.00 55.54 H new ATOM 0 HG1 THR A 23 3.202 -7.048 -0.339 1.00 24.20 H new ATOM 0 HG21 THR A 23 4.535 -8.202 1.263 1.00 54.35 H new ATOM 0 HG22 THR A 23 4.678 -7.471 2.879 1.00 54.35 H new ATOM 0 HG23 THR A 23 3.137 -8.197 2.364 1.00 54.35 H new ATOM 343 N ILE A 24 3.511 -5.242 4.842 1.00 2.25 N ATOM 344 CA ILE A 24 4.324 -4.810 5.958 1.00 45.00 C ATOM 345 C ILE A 24 5.306 -5.916 6.301 1.00 43.42 C ATOM 346 O ILE A 24 4.917 -7.003 6.727 1.00 50.11 O ATOM 347 CB ILE A 24 3.440 -4.484 7.191 1.00 25.21 C ATOM 348 CG1 ILE A 24 2.347 -3.462 6.816 1.00 53.23 C ATOM 349 CG2 ILE A 24 4.283 -3.974 8.358 1.00 32.00 C ATOM 350 CD1 ILE A 24 2.850 -2.069 6.474 1.00 70.14 C ATOM 0 H ILE A 24 2.678 -5.763 5.117 1.00 2.25 H new ATOM 0 HA ILE A 24 4.862 -3.903 5.682 1.00 45.00 H new ATOM 0 HB ILE A 24 2.956 -5.406 7.512 1.00 25.21 H new ATOM 0 HG12 ILE A 24 1.789 -3.848 5.963 1.00 53.23 H new ATOM 0 HG13 ILE A 24 1.646 -3.383 7.647 1.00 53.23 H new ATOM 0 HG21 ILE A 24 3.635 -3.754 9.206 1.00 32.00 H new ATOM 0 HG22 ILE A 24 5.008 -4.736 8.643 1.00 32.00 H new ATOM 0 HG23 ILE A 24 4.808 -3.067 8.058 1.00 32.00 H new ATOM 0 HD11 ILE A 24 2.004 -1.428 6.225 1.00 70.14 H new ATOM 0 HD12 ILE A 24 3.381 -1.653 7.330 1.00 70.14 H new ATOM 0 HD13 ILE A 24 3.526 -2.126 5.621 1.00 70.14 H new ATOM 362 N GLU A 25 6.568 -5.623 6.104 1.00 71.43 N ATOM 363 CA GLU A 25 7.611 -6.597 6.291 1.00 71.42 C ATOM 364 C GLU A 25 8.227 -6.446 7.663 1.00 22.30 C ATOM 365 O GLU A 25 8.894 -5.451 7.952 1.00 55.05 O ATOM 366 CB GLU A 25 8.676 -6.415 5.229 1.00 22.01 C ATOM 367 CG GLU A 25 9.716 -7.499 5.231 1.00 52.44 C ATOM 368 CD GLU A 25 9.200 -8.746 4.573 1.00 71.33 C ATOM 369 OE1 GLU A 25 9.177 -8.789 3.324 1.00 1.33 O ATOM 370 OE2 GLU A 25 8.798 -9.677 5.299 1.00 20.32 O ATOM 0 H GLU A 25 6.899 -4.704 5.810 1.00 71.43 H new ATOM 0 HA GLU A 25 7.182 -7.595 6.206 1.00 71.42 H new ATOM 0 HB2 GLU A 25 8.199 -6.382 4.249 1.00 22.01 H new ATOM 0 HB3 GLU A 25 9.166 -5.453 5.378 1.00 22.01 H new ATOM 0 HG2 GLU A 25 10.608 -7.152 4.710 1.00 52.44 H new ATOM 0 HG3 GLU A 25 10.012 -7.721 6.256 1.00 52.44 H new ATOM 377 N VAL A 26 7.976 -7.421 8.513 1.00 3.32 N ATOM 378 CA VAL A 26 8.513 -7.408 9.854 1.00 62.00 C ATOM 379 C VAL A 26 9.576 -8.493 9.991 1.00 23.21 C ATOM 380 O VAL A 26 9.415 -9.606 9.508 1.00 41.21 O ATOM 381 CB VAL A 26 7.380 -7.550 10.914 1.00 41.21 C ATOM 382 CG1 VAL A 26 7.910 -7.513 12.339 1.00 52.42 C ATOM 383 CG2 VAL A 26 6.359 -6.444 10.728 1.00 25.52 C ATOM 0 H VAL A 26 7.401 -8.235 8.295 1.00 3.32 H new ATOM 0 HA VAL A 26 8.990 -6.446 10.041 1.00 62.00 H new ATOM 0 HB VAL A 26 6.916 -8.524 10.759 1.00 41.21 H new ATOM 0 HG11 VAL A 26 7.080 -7.616 13.039 1.00 52.42 H new ATOM 0 HG12 VAL A 26 8.613 -8.333 12.487 1.00 52.42 H new ATOM 0 HG13 VAL A 26 8.417 -6.564 12.514 1.00 52.42 H new ATOM 0 HG21 VAL A 26 5.569 -6.549 11.472 1.00 25.52 H new ATOM 0 HG22 VAL A 26 6.845 -5.476 10.849 1.00 25.52 H new ATOM 0 HG23 VAL A 26 5.928 -6.511 9.729 1.00 25.52 H new ATOM 393 N LYS A 27 10.685 -8.116 10.604 1.00 62.11 N ATOM 394 CA LYS A 27 11.833 -8.977 10.805 1.00 64.54 C ATOM 395 C LYS A 27 12.577 -8.479 12.037 1.00 20.23 C ATOM 396 O LYS A 27 12.813 -7.273 12.151 1.00 61.13 O ATOM 397 CB LYS A 27 12.724 -8.908 9.564 1.00 60.45 C ATOM 398 CG LYS A 27 13.931 -9.828 9.579 1.00 64.41 C ATOM 399 CD LYS A 27 14.790 -9.624 8.337 1.00 11.13 C ATOM 400 CE LYS A 27 14.013 -9.883 7.049 1.00 40.31 C ATOM 401 NZ LYS A 27 14.829 -9.597 5.842 1.00 73.53 N ATOM 0 H LYS A 27 10.813 -7.178 10.985 1.00 62.11 H new ATOM 0 HA LYS A 27 11.534 -10.014 10.957 1.00 64.54 H new ATOM 0 HB2 LYS A 27 12.119 -9.145 8.689 1.00 60.45 H new ATOM 0 HB3 LYS A 27 13.072 -7.882 9.443 1.00 60.45 H new ATOM 0 HG2 LYS A 27 14.526 -9.638 10.472 1.00 64.41 H new ATOM 0 HG3 LYS A 27 13.601 -10.866 9.631 1.00 64.41 H new ATOM 0 HD2 LYS A 27 15.176 -8.605 8.328 1.00 11.13 H new ATOM 0 HD3 LYS A 27 15.651 -10.290 8.380 1.00 11.13 H new ATOM 0 HE2 LYS A 27 13.684 -10.922 7.027 1.00 40.31 H new ATOM 0 HE3 LYS A 27 13.116 -9.264 7.036 1.00 40.31 H new ATOM 0 HZ1 LYS A 27 14.215 -9.587 5.002 1.00 73.53 H new ATOM 0 HZ2 LYS A 27 15.289 -8.670 5.946 1.00 73.53 H new ATOM 0 HZ3 LYS A 27 15.555 -10.333 5.731 1.00 73.53 H new ATOM 415 N ASN A 28 12.913 -9.408 12.957 1.00 50.34 N ATOM 416 CA ASN A 28 13.549 -9.098 14.265 1.00 40.44 C ATOM 417 C ASN A 28 12.569 -8.371 15.200 1.00 43.14 C ATOM 418 O ASN A 28 12.985 -7.613 16.083 1.00 62.04 O ATOM 419 CB ASN A 28 14.850 -8.267 14.112 1.00 5.55 C ATOM 420 CG ASN A 28 15.976 -9.006 13.418 1.00 12.45 C ATOM 421 OD1 ASN A 28 16.107 -10.224 13.531 1.00 51.41 O ATOM 422 ND2 ASN A 28 16.792 -8.270 12.683 1.00 24.13 N ATOM 0 H ASN A 28 12.751 -10.405 12.816 1.00 50.34 H new ATOM 0 HA ASN A 28 13.820 -10.056 14.708 1.00 40.44 H new ATOM 0 HB2 ASN A 28 14.625 -7.359 13.552 1.00 5.55 H new ATOM 0 HB3 ASN A 28 15.188 -7.956 15.100 1.00 5.55 H new ATOM 0 HD21 ASN A 28 17.565 -8.710 12.183 1.00 24.13 H new ATOM 0 HD22 ASN A 28 16.649 -7.262 12.616 1.00 24.13 H new ATOM 429 N GLY A 29 11.263 -8.619 15.005 1.00 13.11 N ATOM 430 CA GLY A 29 10.220 -7.987 15.812 1.00 32.24 C ATOM 431 C GLY A 29 9.791 -6.606 15.322 1.00 72.23 C ATOM 432 O GLY A 29 8.766 -6.084 15.763 1.00 15.43 O ATOM 0 H GLY A 29 10.909 -9.256 14.291 1.00 13.11 H new ATOM 0 HA2 GLY A 29 9.347 -8.639 15.831 1.00 32.24 H new ATOM 0 HA3 GLY A 29 10.575 -7.900 16.839 1.00 32.24 H new ATOM 436 N LYS A 30 10.558 -6.035 14.398 1.00 34.34 N ATOM 437 CA LYS A 30 10.379 -4.653 13.952 1.00 0.41 C ATOM 438 C LYS A 30 10.245 -4.588 12.428 1.00 73.02 C ATOM 439 O LYS A 30 10.592 -5.534 11.741 1.00 4.43 O ATOM 440 CB LYS A 30 11.579 -3.818 14.422 1.00 50.11 C ATOM 441 CG LYS A 30 12.921 -4.443 14.074 1.00 62.14 C ATOM 442 CD LYS A 30 14.081 -3.651 14.634 1.00 20.21 C ATOM 443 CE LYS A 30 15.396 -4.334 14.323 1.00 55.32 C ATOM 444 NZ LYS A 30 16.563 -3.530 14.753 1.00 44.43 N ATOM 0 H LYS A 30 11.326 -6.519 13.934 1.00 34.34 H new ATOM 0 HA LYS A 30 9.462 -4.251 14.384 1.00 0.41 H new ATOM 0 HB2 LYS A 30 11.521 -2.826 13.973 1.00 50.11 H new ATOM 0 HB3 LYS A 30 11.518 -3.683 15.502 1.00 50.11 H new ATOM 0 HG2 LYS A 30 12.957 -5.461 14.462 1.00 62.14 H new ATOM 0 HG3 LYS A 30 13.019 -4.511 12.990 1.00 62.14 H new ATOM 0 HD2 LYS A 30 14.079 -2.646 14.212 1.00 20.21 H new ATOM 0 HD3 LYS A 30 13.967 -3.544 15.713 1.00 20.21 H new ATOM 0 HE2 LYS A 30 15.424 -5.305 14.818 1.00 55.32 H new ATOM 0 HE3 LYS A 30 15.461 -4.520 13.251 1.00 55.32 H new ATOM 0 HZ1 LYS A 30 17.440 -4.038 14.519 1.00 44.43 H new ATOM 0 HZ2 LYS A 30 16.553 -2.613 14.262 1.00 44.43 H new ATOM 0 HZ3 LYS A 30 16.517 -3.373 15.780 1.00 44.43 H new ATOM 458 N ILE A 31 9.763 -3.474 11.899 1.00 52.45 N ATOM 459 CA ILE A 31 9.537 -3.354 10.458 1.00 42.11 C ATOM 460 C ILE A 31 10.849 -3.023 9.723 1.00 55.40 C ATOM 461 O ILE A 31 11.529 -2.056 10.041 1.00 33.04 O ATOM 462 CB ILE A 31 8.448 -2.291 10.140 1.00 14.13 C ATOM 463 CG1 ILE A 31 7.142 -2.636 10.873 1.00 25.23 C ATOM 464 CG2 ILE A 31 8.204 -2.206 8.637 1.00 52.30 C ATOM 465 CD1 ILE A 31 6.050 -1.586 10.766 1.00 23.25 C ATOM 0 H ILE A 31 9.521 -2.642 12.438 1.00 52.45 H new ATOM 0 HA ILE A 31 9.176 -4.318 10.101 1.00 42.11 H new ATOM 0 HB ILE A 31 8.800 -1.320 10.486 1.00 14.13 H new ATOM 0 HG12 ILE A 31 6.760 -3.578 10.479 1.00 25.23 H new ATOM 0 HG13 ILE A 31 7.367 -2.799 11.927 1.00 25.23 H new ATOM 0 HG21 ILE A 31 7.439 -1.457 8.434 1.00 52.30 H new ATOM 0 HG22 ILE A 31 9.129 -1.925 8.134 1.00 52.30 H new ATOM 0 HG23 ILE A 31 7.870 -3.175 8.267 1.00 52.30 H new ATOM 0 HD11 ILE A 31 5.169 -1.920 11.315 1.00 23.25 H new ATOM 0 HD12 ILE A 31 6.406 -0.646 11.188 1.00 23.25 H new ATOM 0 HD13 ILE A 31 5.790 -1.437 9.718 1.00 23.25 H new ATOM 477 N VAL A 32 11.201 -3.844 8.745 1.00 45.22 N ATOM 478 CA VAL A 32 12.410 -3.616 7.963 1.00 25.42 C ATOM 479 C VAL A 32 12.085 -3.069 6.571 1.00 60.33 C ATOM 480 O VAL A 32 12.954 -2.502 5.904 1.00 32.31 O ATOM 481 CB VAL A 32 13.280 -4.898 7.837 1.00 51.02 C ATOM 482 CG1 VAL A 32 13.794 -5.330 9.195 1.00 4.34 C ATOM 483 CG2 VAL A 32 12.523 -6.046 7.178 1.00 61.53 C ATOM 0 H VAL A 32 10.670 -4.671 8.474 1.00 45.22 H new ATOM 0 HA VAL A 32 12.988 -2.869 8.507 1.00 25.42 H new ATOM 0 HB VAL A 32 14.124 -4.647 7.195 1.00 51.02 H new ATOM 0 HG11 VAL A 32 14.401 -6.229 9.085 1.00 4.34 H new ATOM 0 HG12 VAL A 32 14.401 -4.533 9.625 1.00 4.34 H new ATOM 0 HG13 VAL A 32 12.951 -5.539 9.853 1.00 4.34 H new ATOM 0 HG21 VAL A 32 13.172 -6.919 7.112 1.00 61.53 H new ATOM 0 HG22 VAL A 32 11.644 -6.291 7.774 1.00 61.53 H new ATOM 0 HG23 VAL A 32 12.212 -5.749 6.177 1.00 61.53 H new ATOM 493 N SER A 33 10.832 -3.227 6.146 1.00 20.44 N ATOM 494 CA SER A 33 10.429 -2.883 4.793 1.00 53.22 C ATOM 495 C SER A 33 8.920 -2.722 4.704 1.00 33.22 C ATOM 496 O SER A 33 8.184 -3.201 5.558 1.00 50.11 O ATOM 497 CB SER A 33 10.883 -3.996 3.830 1.00 2.33 C ATOM 498 OG SER A 33 10.553 -3.713 2.476 1.00 22.32 O ATOM 0 H SER A 33 10.078 -3.594 6.727 1.00 20.44 H new ATOM 0 HA SER A 33 10.895 -1.937 4.519 1.00 53.22 H new ATOM 0 HB2 SER A 33 11.961 -4.130 3.917 1.00 2.33 H new ATOM 0 HB3 SER A 33 10.420 -4.938 4.124 1.00 2.33 H new ATOM 0 HG SER A 33 10.862 -4.446 1.904 1.00 22.32 H new ATOM 504 N VAL A 34 8.474 -2.023 3.686 1.00 21.30 N ATOM 505 CA VAL A 34 7.105 -2.125 3.244 1.00 53.34 C ATOM 506 C VAL A 34 7.099 -2.208 1.714 1.00 61.11 C ATOM 507 O VAL A 34 7.772 -1.443 1.016 1.00 61.52 O ATOM 508 CB VAL A 34 6.191 -0.997 3.806 1.00 2.15 C ATOM 509 CG1 VAL A 34 6.696 0.360 3.422 1.00 3.33 C ATOM 510 CG2 VAL A 34 4.749 -1.162 3.355 1.00 23.50 C ATOM 0 H VAL A 34 9.045 -1.373 3.146 1.00 21.30 H new ATOM 0 HA VAL A 34 6.665 -3.035 3.651 1.00 53.34 H new ATOM 0 HB VAL A 34 6.220 -1.083 4.892 1.00 2.15 H new ATOM 0 HG11 VAL A 34 6.034 1.124 3.831 1.00 3.33 H new ATOM 0 HG12 VAL A 34 7.701 0.500 3.820 1.00 3.33 H new ATOM 0 HG13 VAL A 34 6.721 0.445 2.336 1.00 3.33 H new ATOM 0 HG21 VAL A 34 4.144 -0.355 3.768 1.00 23.50 H new ATOM 0 HG22 VAL A 34 4.702 -1.130 2.266 1.00 23.50 H new ATOM 0 HG23 VAL A 34 4.365 -2.120 3.706 1.00 23.50 H new ATOM 520 N ASP A 35 6.387 -3.197 1.230 1.00 22.33 N ATOM 521 CA ASP A 35 6.357 -3.540 -0.173 1.00 23.33 C ATOM 522 C ASP A 35 5.017 -3.142 -0.771 1.00 73.44 C ATOM 523 O ASP A 35 3.960 -3.404 -0.194 1.00 73.22 O ATOM 524 CB ASP A 35 6.605 -5.047 -0.326 1.00 25.34 C ATOM 525 CG ASP A 35 6.613 -5.512 -1.763 1.00 25.33 C ATOM 526 OD1 ASP A 35 7.488 -5.066 -2.528 1.00 61.20 O ATOM 527 OD2 ASP A 35 5.755 -6.336 -2.122 1.00 55.32 O ATOM 0 H ASP A 35 5.801 -3.798 1.810 1.00 22.33 H new ATOM 0 HA ASP A 35 7.139 -3.000 -0.708 1.00 23.33 H new ATOM 0 HB2 ASP A 35 7.560 -5.299 0.135 1.00 25.34 H new ATOM 0 HB3 ASP A 35 5.834 -5.592 0.220 1.00 25.34 H new ATOM 532 N TRP A 36 5.069 -2.480 -1.909 1.00 64.12 N ATOM 533 CA TRP A 36 3.869 -2.069 -2.599 1.00 40.30 C ATOM 534 C TRP A 36 3.615 -2.939 -3.823 1.00 12.43 C ATOM 535 O TRP A 36 4.519 -3.225 -4.613 1.00 41.41 O ATOM 536 CB TRP A 36 3.903 -0.567 -2.953 1.00 53.20 C ATOM 537 CG TRP A 36 5.198 -0.061 -3.534 1.00 61.22 C ATOM 538 CD1 TRP A 36 6.270 0.420 -2.837 1.00 60.42 C ATOM 539 CD2 TRP A 36 5.546 0.046 -4.924 1.00 62.03 C ATOM 540 NE1 TRP A 36 7.262 0.803 -3.701 1.00 31.44 N ATOM 541 CE2 TRP A 36 6.844 0.588 -4.987 1.00 45.31 C ATOM 542 CE3 TRP A 36 4.887 -0.262 -6.119 1.00 4.42 C ATOM 543 CZ2 TRP A 36 7.498 0.814 -6.196 1.00 23.24 C ATOM 544 CZ3 TRP A 36 5.535 -0.033 -7.314 1.00 74.34 C ATOM 545 CH2 TRP A 36 6.828 0.505 -7.346 1.00 72.33 C ATOM 0 H TRP A 36 5.936 -2.215 -2.376 1.00 64.12 H new ATOM 0 HA TRP A 36 3.029 -2.212 -1.919 1.00 40.30 H new ATOM 0 HB2 TRP A 36 3.103 -0.362 -3.664 1.00 53.20 H new ATOM 0 HB3 TRP A 36 3.683 0.005 -2.052 1.00 53.20 H new ATOM 0 HD1 TRP A 36 6.327 0.488 -1.761 1.00 60.42 H new ATOM 0 HE1 TRP A 36 8.167 1.187 -3.430 1.00 31.44 H new ATOM 0 HE3 TRP A 36 3.888 -0.672 -6.106 1.00 4.42 H new ATOM 0 HZ2 TRP A 36 8.499 1.219 -6.223 1.00 23.24 H new ATOM 0 HZ3 TRP A 36 5.037 -0.273 -8.242 1.00 74.34 H new ATOM 0 HH2 TRP A 36 7.305 0.679 -8.299 1.00 72.33 H new ATOM 556 N ASN A 37 2.377 -3.380 -3.931 1.00 61.12 N ATOM 557 CA ASN A 37 1.913 -4.225 -5.025 1.00 32.43 C ATOM 558 C ASN A 37 0.421 -3.944 -5.207 1.00 24.31 C ATOM 559 O ASN A 37 -0.182 -3.299 -4.346 1.00 71.23 O ATOM 560 CB ASN A 37 2.184 -5.711 -4.680 1.00 22.11 C ATOM 561 CG ASN A 37 1.917 -6.691 -5.816 1.00 2.04 C ATOM 562 OD1 ASN A 37 2.094 -6.378 -6.994 1.00 54.21 O ATOM 563 ND2 ASN A 37 1.472 -7.883 -5.462 1.00 32.22 N ATOM 0 H ASN A 37 1.649 -3.160 -3.251 1.00 61.12 H new ATOM 0 HA ASN A 37 2.439 -4.012 -5.956 1.00 32.43 H new ATOM 0 HB2 ASN A 37 3.223 -5.813 -4.368 1.00 22.11 H new ATOM 0 HB3 ASN A 37 1.566 -5.989 -3.826 1.00 22.11 H new ATOM 0 HD21 ASN A 37 1.262 -8.582 -6.175 1.00 32.22 H new ATOM 0 HD22 ASN A 37 1.338 -8.105 -4.476 1.00 32.22 H new ATOM 570 N ALA A 38 -0.163 -4.366 -6.322 1.00 24.53 N ATOM 571 CA ALA A 38 -1.594 -4.218 -6.548 1.00 22.52 C ATOM 572 C ALA A 38 -2.097 -5.329 -7.468 1.00 32.21 C ATOM 573 O ALA A 38 -1.299 -6.017 -8.087 1.00 23.31 O ATOM 574 CB ALA A 38 -1.890 -2.840 -7.128 1.00 35.52 C ATOM 0 H ALA A 38 0.337 -4.816 -7.088 1.00 24.53 H new ATOM 0 HA ALA A 38 -2.121 -4.304 -5.598 1.00 22.52 H new ATOM 0 HB1 ALA A 38 -2.962 -2.738 -7.294 1.00 35.52 H new ATOM 0 HB2 ALA A 38 -1.556 -2.072 -6.430 1.00 35.52 H new ATOM 0 HB3 ALA A 38 -1.364 -2.723 -8.075 1.00 35.52 H new ATOM 580 N ILE A 39 -3.414 -5.526 -7.533 1.00 22.13 N ATOM 581 CA ILE A 39 -4.012 -6.548 -8.409 1.00 32.42 C ATOM 582 C ILE A 39 -5.027 -5.883 -9.345 1.00 55.52 C ATOM 583 O ILE A 39 -5.935 -5.224 -8.882 1.00 3.11 O ATOM 584 CB ILE A 39 -4.730 -7.662 -7.589 1.00 12.24 C ATOM 585 CG1 ILE A 39 -3.805 -8.218 -6.489 1.00 54.30 C ATOM 586 CG2 ILE A 39 -5.195 -8.790 -8.513 1.00 22.51 C ATOM 587 CD1 ILE A 39 -4.497 -9.150 -5.512 1.00 73.15 C ATOM 0 H ILE A 39 -4.093 -4.993 -6.990 1.00 22.13 H new ATOM 0 HA ILE A 39 -3.208 -7.011 -8.981 1.00 32.42 H new ATOM 0 HB ILE A 39 -5.603 -7.220 -7.109 1.00 12.24 H new ATOM 0 HG12 ILE A 39 -2.978 -8.750 -6.959 1.00 54.30 H new ATOM 0 HG13 ILE A 39 -3.374 -7.384 -5.936 1.00 54.30 H new ATOM 0 HG21 ILE A 39 -5.694 -9.560 -7.925 1.00 22.51 H new ATOM 0 HG22 ILE A 39 -5.889 -8.391 -9.253 1.00 22.51 H new ATOM 0 HG23 ILE A 39 -4.333 -9.223 -9.020 1.00 22.51 H new ATOM 0 HD11 ILE A 39 -3.778 -9.498 -4.770 1.00 73.15 H new ATOM 0 HD12 ILE A 39 -5.306 -8.618 -5.012 1.00 73.15 H new ATOM 0 HD13 ILE A 39 -4.904 -10.005 -6.051 1.00 73.15 H new ATOM 599 N ASN A 40 -4.884 -6.060 -10.650 1.00 60.21 N ATOM 600 CA ASN A 40 -5.745 -5.357 -11.608 1.00 11.02 C ATOM 601 C ASN A 40 -7.015 -6.140 -11.917 1.00 61.14 C ATOM 602 O ASN A 40 -7.008 -7.363 -11.983 1.00 13.01 O ATOM 603 CB ASN A 40 -4.984 -5.022 -12.891 1.00 60.42 C ATOM 604 CG ASN A 40 -5.774 -4.171 -13.866 1.00 60.13 C ATOM 605 OD1 ASN A 40 -6.196 -4.649 -14.907 1.00 71.23 O ATOM 606 ND2 ASN A 40 -6.019 -2.919 -13.511 1.00 2.23 N ATOM 0 H ASN A 40 -4.190 -6.676 -11.073 1.00 60.21 H new ATOM 0 HA ASN A 40 -6.048 -4.422 -11.138 1.00 11.02 H new ATOM 0 HB2 ASN A 40 -4.063 -4.500 -12.631 1.00 60.42 H new ATOM 0 HB3 ASN A 40 -4.695 -5.950 -13.384 1.00 60.42 H new ATOM 0 HD21 ASN A 40 -6.578 -2.318 -14.116 1.00 2.23 H new ATOM 0 HD22 ASN A 40 -5.649 -2.556 -12.633 1.00 2.23 H new ATOM 613 N LYS A 41 -8.101 -5.388 -12.039 1.00 50.13 N ATOM 614 CA LYS A 41 -9.427 -5.883 -12.370 1.00 54.14 C ATOM 615 C LYS A 41 -9.484 -6.515 -13.765 1.00 33.24 C ATOM 616 O LYS A 41 -9.897 -7.665 -13.895 1.00 24.21 O ATOM 617 CB LYS A 41 -10.397 -4.704 -12.266 1.00 4.10 C ATOM 618 CG LYS A 41 -11.858 -5.036 -12.472 1.00 24.35 C ATOM 619 CD LYS A 41 -12.692 -3.767 -12.440 1.00 51.12 C ATOM 620 CE LYS A 41 -14.140 -4.033 -12.803 1.00 24.24 C ATOM 621 NZ LYS A 41 -14.263 -4.638 -14.152 1.00 64.34 N ATOM 0 H LYS A 41 -8.079 -4.377 -11.904 1.00 50.13 H new ATOM 0 HA LYS A 41 -9.700 -6.675 -11.673 1.00 54.14 H new ATOM 0 HB2 LYS A 41 -10.282 -4.249 -11.282 1.00 4.10 H new ATOM 0 HB3 LYS A 41 -10.107 -3.953 -13.001 1.00 4.10 H new ATOM 0 HG2 LYS A 41 -11.992 -5.544 -13.427 1.00 24.35 H new ATOM 0 HG3 LYS A 41 -12.196 -5.722 -11.695 1.00 24.35 H new ATOM 0 HD2 LYS A 41 -12.642 -3.325 -11.445 1.00 51.12 H new ATOM 0 HD3 LYS A 41 -12.272 -3.039 -13.134 1.00 51.12 H new ATOM 0 HE2 LYS A 41 -14.585 -4.699 -12.063 1.00 24.24 H new ATOM 0 HE3 LYS A 41 -14.701 -3.099 -12.770 1.00 24.24 H new ATOM 0 HZ1 LYS A 41 -15.049 -4.189 -14.664 1.00 64.34 H new ATOM 0 HZ2 LYS A 41 -13.379 -4.493 -14.680 1.00 64.34 H new ATOM 0 HZ3 LYS A 41 -14.448 -5.657 -14.060 1.00 64.34 H new ATOM 635 N ASP A 42 -9.023 -5.766 -14.778 1.00 14.13 N ATOM 636 CA ASP A 42 -9.132 -6.165 -16.194 1.00 15.52 C ATOM 637 C ASP A 42 -8.255 -7.383 -16.510 1.00 20.33 C ATOM 638 O ASP A 42 -8.678 -8.293 -17.236 1.00 53.32 O ATOM 639 CB ASP A 42 -8.738 -4.982 -17.102 1.00 13.33 C ATOM 640 CG ASP A 42 -8.926 -5.266 -18.585 1.00 61.13 C ATOM 641 OD1 ASP A 42 -7.991 -5.778 -19.236 1.00 31.21 O ATOM 642 OD2 ASP A 42 -10.008 -4.961 -19.114 1.00 12.01 O ATOM 0 H ASP A 42 -8.563 -4.866 -14.641 1.00 14.13 H new ATOM 0 HA ASP A 42 -10.168 -6.445 -16.384 1.00 15.52 H new ATOM 0 HB2 ASP A 42 -9.333 -4.111 -16.829 1.00 13.33 H new ATOM 0 HB3 ASP A 42 -7.695 -4.725 -16.919 1.00 13.33 H new ATOM 647 N GLY A 43 -7.050 -7.392 -15.945 1.00 1.22 N ATOM 648 CA GLY A 43 -6.113 -8.475 -16.178 1.00 2.14 C ATOM 649 C GLY A 43 -6.388 -9.670 -15.297 1.00 33.13 C ATOM 650 O GLY A 43 -6.254 -10.816 -15.732 1.00 22.51 O ATOM 0 H GLY A 43 -6.705 -6.660 -15.324 1.00 1.22 H new ATOM 0 HA2 GLY A 43 -6.164 -8.778 -17.224 1.00 2.14 H new ATOM 0 HA3 GLY A 43 -5.098 -8.120 -15.998 1.00 2.14 H new ATOM 654 N GLY A 44 -6.767 -9.396 -14.054 1.00 52.12 N ATOM 655 CA GLY A 44 -7.047 -10.448 -13.093 1.00 72.33 C ATOM 656 C GLY A 44 -5.805 -10.897 -12.347 1.00 22.44 C ATOM 657 O GLY A 44 -5.861 -11.829 -11.546 1.00 51.40 O ATOM 0 H GLY A 44 -6.887 -8.451 -13.691 1.00 52.12 H new ATOM 0 HA2 GLY A 44 -7.789 -10.094 -12.377 1.00 72.33 H new ATOM 0 HA3 GLY A 44 -7.485 -11.302 -13.610 1.00 72.33 H new ATOM 661 N ASP A 45 -4.685 -10.233 -12.613 1.00 61.41 N ATOM 662 CA ASP A 45 -3.402 -10.656 -12.092 1.00 71.24 C ATOM 663 C ASP A 45 -2.713 -9.520 -11.349 1.00 43.54 C ATOM 664 O ASP A 45 -3.191 -8.383 -11.359 1.00 3.43 O ATOM 665 CB ASP A 45 -2.523 -11.156 -13.238 1.00 52.30 C ATOM 666 CG ASP A 45 -1.895 -12.485 -12.920 1.00 64.20 C ATOM 667 OD1 ASP A 45 -0.971 -12.521 -12.091 1.00 23.44 O ATOM 668 OD2 ASP A 45 -2.336 -13.503 -13.489 1.00 42.34 O ATOM 0 H ASP A 45 -4.647 -9.394 -13.192 1.00 61.41 H new ATOM 0 HA ASP A 45 -3.564 -11.468 -11.383 1.00 71.24 H new ATOM 0 HB2 ASP A 45 -3.122 -11.245 -14.144 1.00 52.30 H new ATOM 0 HB3 ASP A 45 -1.742 -10.424 -13.443 1.00 52.30 H new ATOM 673 N ASP A 46 -1.572 -9.834 -10.742 1.00 23.32 N ATOM 674 CA ASP A 46 -0.824 -8.888 -9.919 1.00 55.11 C ATOM 675 C ASP A 46 -0.004 -7.938 -10.786 1.00 65.14 C ATOM 676 O ASP A 46 0.216 -8.196 -11.970 1.00 61.35 O ATOM 677 CB ASP A 46 0.117 -9.628 -8.957 1.00 72.41 C ATOM 678 CG ASP A 46 -0.605 -10.318 -7.811 1.00 65.11 C ATOM 679 OD1 ASP A 46 -1.159 -11.415 -8.025 1.00 2.22 O ATOM 680 OD2 ASP A 46 -0.610 -9.768 -6.695 1.00 62.42 O ATOM 0 H ASP A 46 -1.138 -10.755 -10.807 1.00 23.32 H new ATOM 0 HA ASP A 46 -1.549 -8.312 -9.344 1.00 55.11 H new ATOM 0 HB2 ASP A 46 0.685 -10.371 -9.517 1.00 72.41 H new ATOM 0 HB3 ASP A 46 0.836 -8.918 -8.548 1.00 72.41 H new ATOM 685 N LYS A 47 0.425 -6.837 -10.163 1.00 24.15 N ATOM 686 CA LYS A 47 1.256 -5.802 -10.768 1.00 2.24 C ATOM 687 C LYS A 47 2.564 -6.361 -11.325 1.00 40.41 C ATOM 688 O LYS A 47 2.999 -5.956 -12.403 1.00 2.43 O ATOM 689 CB LYS A 47 1.544 -4.759 -9.693 1.00 71.34 C ATOM 690 CG LYS A 47 2.220 -3.510 -10.195 1.00 24.40 C ATOM 691 CD LYS A 47 1.311 -2.312 -10.065 1.00 13.03 C ATOM 692 CE LYS A 47 1.986 -1.075 -10.595 1.00 22.22 C ATOM 693 NZ LYS A 47 3.172 -0.687 -9.786 1.00 52.13 N ATOM 0 H LYS A 47 0.193 -6.638 -9.190 1.00 24.15 H new ATOM 0 HA LYS A 47 0.724 -5.364 -11.613 1.00 2.24 H new ATOM 0 HB2 LYS A 47 0.605 -4.481 -9.215 1.00 71.34 H new ATOM 0 HB3 LYS A 47 2.171 -5.212 -8.925 1.00 71.34 H new ATOM 0 HG2 LYS A 47 3.137 -3.338 -9.632 1.00 24.40 H new ATOM 0 HG3 LYS A 47 2.507 -3.642 -11.238 1.00 24.40 H new ATOM 0 HD2 LYS A 47 0.385 -2.490 -10.612 1.00 13.03 H new ATOM 0 HD3 LYS A 47 1.041 -2.166 -9.019 1.00 13.03 H new ATOM 0 HE2 LYS A 47 2.293 -1.246 -11.627 1.00 22.22 H new ATOM 0 HE3 LYS A 47 1.272 -0.251 -10.607 1.00 22.22 H new ATOM 0 HZ1 LYS A 47 3.542 0.223 -10.127 1.00 52.13 H new ATOM 0 HZ2 LYS A 47 2.896 -0.597 -8.787 1.00 52.13 H new ATOM 0 HZ3 LYS A 47 3.908 -1.416 -9.878 1.00 52.13 H new ATOM 707 N ASP A 48 3.145 -7.313 -10.594 1.00 15.15 N ATOM 708 CA ASP A 48 4.390 -7.971 -10.979 1.00 14.31 C ATOM 709 C ASP A 48 4.207 -8.785 -12.271 1.00 65.25 C ATOM 710 O ASP A 48 4.958 -8.612 -13.230 1.00 41.33 O ATOM 711 CB ASP A 48 4.871 -8.874 -9.830 1.00 15.12 C ATOM 712 CG ASP A 48 6.247 -9.455 -10.075 1.00 41.44 C ATOM 713 OD1 ASP A 48 7.237 -8.793 -9.722 1.00 62.13 O ATOM 714 OD2 ASP A 48 6.346 -10.559 -10.652 1.00 21.02 O ATOM 0 H ASP A 48 2.760 -7.650 -9.712 1.00 15.15 H new ATOM 0 HA ASP A 48 5.145 -7.209 -11.174 1.00 14.31 H new ATOM 0 HB2 ASP A 48 4.884 -8.299 -8.904 1.00 15.12 H new ATOM 0 HB3 ASP A 48 4.158 -9.687 -9.690 1.00 15.12 H new ATOM 719 N THR A 49 3.168 -9.619 -12.297 1.00 65.45 N ATOM 720 CA THR A 49 2.934 -10.552 -13.399 1.00 3.53 C ATOM 721 C THR A 49 2.404 -9.844 -14.655 1.00 2.42 C ATOM 722 O THR A 49 2.715 -10.250 -15.770 1.00 23.35 O ATOM 723 CB THR A 49 1.949 -11.655 -12.969 1.00 24.10 C ATOM 724 OG1 THR A 49 2.292 -12.107 -11.651 1.00 54.05 O ATOM 725 CG2 THR A 49 1.986 -12.841 -13.931 1.00 71.13 C ATOM 0 H THR A 49 2.467 -9.667 -11.558 1.00 65.45 H new ATOM 0 HA THR A 49 3.896 -10.998 -13.650 1.00 3.53 H new ATOM 0 HB THR A 49 0.942 -11.237 -12.980 1.00 24.10 H new ATOM 0 HG1 THR A 49 1.666 -12.808 -11.372 1.00 54.05 H new ATOM 0 HG21 THR A 49 1.279 -13.601 -13.599 1.00 71.13 H new ATOM 0 HG22 THR A 49 1.714 -12.506 -14.932 1.00 71.13 H new ATOM 0 HG23 THR A 49 2.991 -13.263 -13.950 1.00 71.13 H new ATOM 733 N LEU A 50 1.623 -8.777 -14.473 1.00 3.33 N ATOM 734 CA LEU A 50 1.110 -7.998 -15.602 1.00 61.32 C ATOM 735 C LEU A 50 2.204 -7.205 -16.305 1.00 13.01 C ATOM 736 O LEU A 50 2.154 -7.046 -17.514 1.00 60.11 O ATOM 737 CB LEU A 50 -0.021 -7.066 -15.174 1.00 45.35 C ATOM 738 CG LEU A 50 -1.341 -7.764 -14.851 1.00 51.20 C ATOM 739 CD1 LEU A 50 -2.367 -6.746 -14.424 1.00 51.42 C ATOM 740 CD2 LEU A 50 -1.853 -8.554 -16.049 1.00 63.04 C ATOM 0 H LEU A 50 1.333 -8.433 -13.558 1.00 3.33 H new ATOM 0 HA LEU A 50 0.714 -8.722 -16.314 1.00 61.32 H new ATOM 0 HB2 LEU A 50 0.302 -6.506 -14.296 1.00 45.35 H new ATOM 0 HB3 LEU A 50 -0.195 -6.341 -15.969 1.00 45.35 H new ATOM 0 HG LEU A 50 -1.166 -8.465 -14.035 1.00 51.20 H new ATOM 0 HD11 LEU A 50 -3.306 -7.250 -14.195 1.00 51.42 H new ATOM 0 HD12 LEU A 50 -2.011 -6.221 -13.538 1.00 51.42 H new ATOM 0 HD13 LEU A 50 -2.527 -6.030 -15.230 1.00 51.42 H new ATOM 0 HD21 LEU A 50 -2.794 -9.040 -15.789 1.00 63.04 H new ATOM 0 HD22 LEU A 50 -2.013 -7.878 -16.889 1.00 63.04 H new ATOM 0 HD23 LEU A 50 -1.119 -9.310 -16.327 1.00 63.04 H new ATOM 752 N SER A 51 3.196 -6.718 -15.556 1.00 43.24 N ATOM 753 CA SER A 51 4.352 -6.058 -16.161 1.00 15.32 C ATOM 754 C SER A 51 5.259 -7.081 -16.870 1.00 14.51 C ATOM 755 O SER A 51 5.909 -6.759 -17.865 1.00 44.13 O ATOM 756 CB SER A 51 5.135 -5.288 -15.102 1.00 75.25 C ATOM 757 OG SER A 51 4.287 -4.374 -14.427 1.00 22.21 O ATOM 0 H SER A 51 3.221 -6.768 -14.538 1.00 43.24 H new ATOM 0 HA SER A 51 3.992 -5.352 -16.909 1.00 15.32 H new ATOM 0 HB2 SER A 51 5.573 -5.984 -14.387 1.00 75.25 H new ATOM 0 HB3 SER A 51 5.960 -4.751 -15.570 1.00 75.25 H new ATOM 0 HG SER A 51 3.793 -4.845 -13.724 1.00 22.21 H new ATOM 763 N ARG A 52 5.252 -8.319 -16.357 1.00 21.21 N ATOM 764 CA ARG A 52 6.017 -9.433 -16.915 1.00 24.34 C ATOM 765 C ARG A 52 5.426 -9.911 -18.254 1.00 20.10 C ATOM 766 O ARG A 52 6.166 -10.212 -19.189 1.00 5.13 O ATOM 767 CB ARG A 52 6.049 -10.576 -15.884 1.00 32.42 C ATOM 768 CG ARG A 52 6.694 -11.863 -16.361 1.00 74.23 C ATOM 769 CD ARG A 52 6.737 -12.905 -15.259 1.00 23.13 C ATOM 770 NE ARG A 52 7.120 -14.219 -15.775 1.00 60.11 N ATOM 771 CZ ARG A 52 8.103 -14.983 -15.289 1.00 54.50 C ATOM 772 NH1 ARG A 52 8.868 -14.559 -14.283 1.00 4.22 N ATOM 773 NH2 ARG A 52 8.329 -16.173 -15.826 1.00 13.03 N ATOM 0 H ARG A 52 4.707 -8.574 -15.533 1.00 21.21 H new ATOM 0 HA ARG A 52 7.034 -9.099 -17.123 1.00 24.34 H new ATOM 0 HB2 ARG A 52 6.581 -10.229 -14.998 1.00 32.42 H new ATOM 0 HB3 ARG A 52 5.026 -10.794 -15.576 1.00 32.42 H new ATOM 0 HG2 ARG A 52 6.139 -12.256 -17.213 1.00 74.23 H new ATOM 0 HG3 ARG A 52 7.707 -11.657 -16.708 1.00 74.23 H new ATOM 0 HD2 ARG A 52 7.446 -12.594 -14.491 1.00 23.13 H new ATOM 0 HD3 ARG A 52 5.759 -12.972 -14.782 1.00 23.13 H new ATOM 0 HE ARG A 52 6.594 -14.582 -16.570 1.00 60.11 H new ATOM 0 HH11 ARG A 52 8.707 -13.639 -13.873 1.00 4.22 H new ATOM 0 HH12 ARG A 52 9.614 -15.154 -13.924 1.00 4.22 H new ATOM 0 HH21 ARG A 52 7.755 -16.499 -16.604 1.00 13.03 H new ATOM 0 HH22 ARG A 52 9.077 -16.763 -15.462 1.00 13.03 H new ATOM 787 N ASN A 53 4.097 -9.957 -18.344 1.00 24.02 N ATOM 788 CA ASN A 53 3.417 -10.413 -19.563 1.00 54.33 C ATOM 789 C ASN A 53 3.264 -9.288 -20.584 1.00 32.35 C ATOM 790 O ASN A 53 3.207 -9.542 -21.786 1.00 54.03 O ATOM 791 CB ASN A 53 2.030 -10.992 -19.236 1.00 55.24 C ATOM 792 CG ASN A 53 2.088 -12.281 -18.428 1.00 32.22 C ATOM 793 OD1 ASN A 53 3.049 -13.048 -18.516 1.00 31.31 O ATOM 794 ND2 ASN A 53 1.046 -12.539 -17.652 1.00 15.23 N ATOM 0 H ASN A 53 3.467 -9.685 -17.589 1.00 24.02 H new ATOM 0 HA ASN A 53 4.043 -11.192 -19.998 1.00 54.33 H new ATOM 0 HB2 ASN A 53 1.456 -10.250 -18.681 1.00 55.24 H new ATOM 0 HB3 ASN A 53 1.494 -11.179 -20.166 1.00 55.24 H new ATOM 0 HD21 ASN A 53 1.020 -13.397 -17.101 1.00 15.23 H new ATOM 0 HD22 ASN A 53 0.269 -11.880 -17.605 1.00 15.23 H new ATOM 801 N GLY A 54 3.204 -8.053 -20.094 1.00 10.23 N ATOM 802 CA GLY A 54 3.003 -6.903 -20.956 1.00 73.12 C ATOM 803 C GLY A 54 1.537 -6.525 -21.078 1.00 3.13 C ATOM 804 O GLY A 54 1.106 -6.010 -22.111 1.00 23.31 O ATOM 0 H GLY A 54 3.292 -7.828 -19.103 1.00 10.23 H new ATOM 0 HA2 GLY A 54 3.563 -6.055 -20.563 1.00 73.12 H new ATOM 0 HA3 GLY A 54 3.404 -7.119 -21.946 1.00 73.12 H new ATOM 808 N GLY A 55 0.776 -6.767 -20.012 1.00 43.24 N ATOM 809 CA GLY A 55 -0.644 -6.474 -20.005 1.00 73.43 C ATOM 810 C GLY A 55 -1.051 -5.596 -18.841 1.00 10.34 C ATOM 811 O GLY A 55 -2.036 -5.886 -18.160 1.00 24.32 O ATOM 0 H GLY A 55 1.127 -7.167 -19.142 1.00 43.24 H new ATOM 0 HA2 GLY A 55 -0.914 -5.981 -20.939 1.00 73.43 H new ATOM 0 HA3 GLY A 55 -1.204 -7.408 -19.964 1.00 73.43 H new ATOM 815 N TYR A 56 -0.275 -4.535 -18.600 1.00 54.21 N ATOM 816 CA TYR A 56 -0.600 -3.538 -17.581 1.00 73.41 C ATOM 817 C TYR A 56 -1.813 -2.710 -18.025 1.00 33.41 C ATOM 818 O TYR A 56 -1.717 -1.851 -18.906 1.00 0.42 O ATOM 819 CB TYR A 56 0.627 -2.634 -17.305 1.00 31.42 C ATOM 820 CG TYR A 56 0.412 -1.563 -16.242 1.00 51.30 C ATOM 821 CD1 TYR A 56 -0.125 -0.322 -16.572 1.00 63.44 C ATOM 822 CD2 TYR A 56 0.731 -1.798 -14.915 1.00 61.41 C ATOM 823 CE1 TYR A 56 -0.344 0.641 -15.619 1.00 31.53 C ATOM 824 CE2 TYR A 56 0.518 -0.828 -13.954 1.00 62.13 C ATOM 825 CZ TYR A 56 -0.023 0.386 -14.314 1.00 63.40 C ATOM 826 OH TYR A 56 -0.268 1.340 -13.365 1.00 42.14 O ATOM 0 H TYR A 56 0.591 -4.345 -19.104 1.00 54.21 H new ATOM 0 HA TYR A 56 -0.858 -4.046 -16.652 1.00 73.41 H new ATOM 0 HB2 TYR A 56 1.463 -3.264 -17.000 1.00 31.42 H new ATOM 0 HB3 TYR A 56 0.918 -2.147 -18.236 1.00 31.42 H new ATOM 0 HD1 TYR A 56 -0.375 -0.112 -17.601 1.00 63.44 H new ATOM 0 HD2 TYR A 56 1.151 -2.751 -14.628 1.00 61.41 H new ATOM 0 HE1 TYR A 56 -0.767 1.595 -15.898 1.00 31.53 H new ATOM 0 HE2 TYR A 56 0.775 -1.022 -12.923 1.00 62.13 H new ATOM 0 HH TYR A 56 -1.105 1.804 -13.576 1.00 42.14 H new ATOM 836 N LYS A 57 -2.962 -3.033 -17.462 1.00 24.22 N ATOM 837 CA LYS A 57 -4.163 -2.255 -17.690 1.00 3.31 C ATOM 838 C LYS A 57 -4.481 -1.363 -16.508 1.00 65.54 C ATOM 839 O LYS A 57 -4.071 -1.630 -15.383 1.00 63.51 O ATOM 840 CB LYS A 57 -5.351 -3.181 -17.952 1.00 52.23 C ATOM 841 CG LYS A 57 -5.221 -4.026 -19.207 1.00 32.14 C ATOM 842 CD LYS A 57 -5.275 -3.179 -20.467 1.00 33.34 C ATOM 843 CE LYS A 57 -5.323 -4.050 -21.711 1.00 52.04 C ATOM 844 NZ LYS A 57 -6.556 -4.882 -21.759 1.00 52.42 N ATOM 0 H LYS A 57 -3.088 -3.832 -16.841 1.00 24.22 H new ATOM 0 HA LYS A 57 -3.983 -1.625 -18.561 1.00 3.31 H new ATOM 0 HB2 LYS A 57 -5.477 -3.842 -17.095 1.00 52.23 H new ATOM 0 HB3 LYS A 57 -6.256 -2.579 -18.026 1.00 52.23 H new ATOM 0 HG2 LYS A 57 -4.280 -4.576 -19.179 1.00 32.14 H new ATOM 0 HG3 LYS A 57 -6.022 -4.765 -19.232 1.00 32.14 H new ATOM 0 HD2 LYS A 57 -6.153 -2.533 -20.437 1.00 33.34 H new ATOM 0 HD3 LYS A 57 -4.402 -2.528 -20.509 1.00 33.34 H new ATOM 0 HE2 LYS A 57 -5.276 -3.419 -22.598 1.00 52.04 H new ATOM 0 HE3 LYS A 57 -4.447 -4.698 -21.735 1.00 52.04 H new ATOM 0 HZ1 LYS A 57 -6.297 -5.889 -21.727 1.00 52.42 H new ATOM 0 HZ2 LYS A 57 -7.161 -4.654 -20.944 1.00 52.42 H new ATOM 0 HZ3 LYS A 57 -7.073 -4.686 -22.640 1.00 52.42 H new ATOM 858 N MET A 58 -5.175 -0.274 -16.796 1.00 24.33 N ATOM 859 CA MET A 58 -5.848 0.536 -15.789 1.00 72.11 C ATOM 860 C MET A 58 -7.249 0.835 -16.298 1.00 54.45 C ATOM 861 O MET A 58 -7.498 0.725 -17.495 1.00 25.11 O ATOM 862 CB MET A 58 -5.112 1.861 -15.492 1.00 0.32 C ATOM 863 CG MET A 58 -3.767 1.677 -14.803 1.00 71.42 C ATOM 864 SD MET A 58 -3.171 3.152 -13.946 1.00 3.25 S ATOM 865 CE MET A 58 -2.859 4.269 -15.305 1.00 42.42 C ATOM 0 H MET A 58 -5.289 0.078 -17.746 1.00 24.33 H new ATOM 0 HA MET A 58 -5.867 -0.023 -14.854 1.00 72.11 H new ATOM 0 HB2 MET A 58 -4.959 2.398 -16.428 1.00 0.32 H new ATOM 0 HB3 MET A 58 -5.748 2.486 -14.865 1.00 0.32 H new ATOM 0 HG2 MET A 58 -3.847 0.860 -14.086 1.00 71.42 H new ATOM 0 HG3 MET A 58 -3.028 1.378 -15.546 1.00 71.42 H new ATOM 0 HE1 MET A 58 -2.870 5.297 -14.941 1.00 42.42 H new ATOM 0 HE2 MET A 58 -1.884 4.049 -15.740 1.00 42.42 H new ATOM 0 HE3 MET A 58 -3.632 4.144 -16.064 1.00 42.42 H new ATOM 875 N VAL A 59 -8.172 1.183 -15.413 1.00 5.21 N ATOM 876 CA VAL A 59 -9.500 1.585 -15.862 1.00 2.15 C ATOM 877 C VAL A 59 -9.593 3.109 -15.952 1.00 65.11 C ATOM 878 O VAL A 59 -10.530 3.648 -16.536 1.00 51.02 O ATOM 879 CB VAL A 59 -10.663 1.001 -15.002 1.00 55.02 C ATOM 880 CG1 VAL A 59 -10.538 -0.510 -14.874 1.00 14.25 C ATOM 881 CG2 VAL A 59 -10.758 1.645 -13.630 1.00 63.23 C ATOM 0 H VAL A 59 -8.033 1.196 -14.403 1.00 5.21 H new ATOM 0 HA VAL A 59 -9.629 1.155 -16.855 1.00 2.15 H new ATOM 0 HB VAL A 59 -11.588 1.236 -15.529 1.00 55.02 H new ATOM 0 HG11 VAL A 59 -11.360 -0.893 -14.270 1.00 14.25 H new ATOM 0 HG12 VAL A 59 -10.573 -0.963 -15.865 1.00 14.25 H new ATOM 0 HG13 VAL A 59 -9.590 -0.757 -14.396 1.00 14.25 H new ATOM 0 HG21 VAL A 59 -11.584 1.200 -13.076 1.00 63.23 H new ATOM 0 HG22 VAL A 59 -9.827 1.483 -13.087 1.00 63.23 H new ATOM 0 HG23 VAL A 59 -10.931 2.715 -13.742 1.00 63.23 H new ATOM 891 N GLU A 60 -8.604 3.788 -15.380 1.00 5.10 N ATOM 892 CA GLU A 60 -8.487 5.223 -15.496 1.00 22.13 C ATOM 893 C GLU A 60 -7.023 5.582 -15.698 1.00 60.55 C ATOM 894 O GLU A 60 -6.188 5.363 -14.818 1.00 34.31 O ATOM 895 CB GLU A 60 -9.068 5.930 -14.261 1.00 63.42 C ATOM 896 CG GLU A 60 -9.119 7.447 -14.363 1.00 12.22 C ATOM 897 CD GLU A 60 -9.864 7.934 -15.590 1.00 4.21 C ATOM 898 OE1 GLU A 60 -11.103 8.023 -15.547 1.00 23.22 O ATOM 899 OE2 GLU A 60 -9.202 8.248 -16.598 1.00 14.14 O ATOM 0 H GLU A 60 -7.866 3.353 -14.826 1.00 5.10 H new ATOM 0 HA GLU A 60 -9.064 5.564 -16.356 1.00 22.13 H new ATOM 0 HB2 GLU A 60 -10.077 5.557 -14.087 1.00 63.42 H new ATOM 0 HB3 GLU A 60 -8.473 5.658 -13.390 1.00 63.42 H new ATOM 0 HG2 GLU A 60 -9.598 7.850 -13.470 1.00 12.22 H new ATOM 0 HG3 GLU A 60 -8.102 7.839 -14.383 1.00 12.22 H new ATOM 906 N TYR A 61 -6.726 6.086 -16.886 1.00 54.20 N ATOM 907 CA TYR A 61 -5.374 6.486 -17.251 1.00 51.22 C ATOM 908 C TYR A 61 -5.191 7.989 -17.083 1.00 20.33 C ATOM 909 O TYR A 61 -4.151 8.452 -16.613 1.00 72.51 O ATOM 910 CB TYR A 61 -5.073 6.106 -18.710 1.00 34.12 C ATOM 911 CG TYR A 61 -5.075 4.621 -19.003 1.00 31.43 C ATOM 912 CD1 TYR A 61 -3.919 3.873 -18.876 1.00 71.32 C ATOM 913 CD2 TYR A 61 -6.230 3.972 -19.416 1.00 5.12 C ATOM 914 CE1 TYR A 61 -3.909 2.523 -19.144 1.00 31.22 C ATOM 915 CE2 TYR A 61 -6.229 2.623 -19.687 1.00 43.22 C ATOM 916 CZ TYR A 61 -5.066 1.902 -19.550 1.00 2.25 C ATOM 917 OH TYR A 61 -5.066 0.552 -19.810 1.00 35.21 O ATOM 0 H TYR A 61 -7.415 6.230 -17.625 1.00 54.20 H new ATOM 0 HA TYR A 61 -4.684 5.963 -16.589 1.00 51.22 H new ATOM 0 HB2 TYR A 61 -5.809 6.588 -19.353 1.00 34.12 H new ATOM 0 HB3 TYR A 61 -4.098 6.512 -18.981 1.00 34.12 H new ATOM 0 HD1 TYR A 61 -3.007 4.357 -18.561 1.00 71.32 H new ATOM 0 HD2 TYR A 61 -7.145 4.535 -19.527 1.00 5.12 H new ATOM 0 HE1 TYR A 61 -2.997 1.955 -19.036 1.00 31.22 H new ATOM 0 HE2 TYR A 61 -7.137 2.133 -20.006 1.00 43.22 H new ATOM 0 HH TYR A 61 -5.964 0.272 -20.085 1.00 35.21 H new ATOM 927 N GLY A 62 -6.237 8.727 -17.436 1.00 71.14 N ATOM 928 CA GLY A 62 -6.148 10.171 -17.567 1.00 74.20 C ATOM 929 C GLY A 62 -6.499 10.927 -16.301 1.00 42.31 C ATOM 930 O GLY A 62 -5.903 11.967 -16.020 1.00 73.43 O ATOM 0 H GLY A 62 -7.161 8.343 -17.637 1.00 71.14 H new ATOM 0 HA2 GLY A 62 -5.134 10.437 -17.868 1.00 74.20 H new ATOM 0 HA3 GLY A 62 -6.813 10.495 -18.368 1.00 74.20 H new ATOM 934 N GLY A 63 -7.466 10.412 -15.546 1.00 43.02 N ATOM 935 CA GLY A 63 -7.905 11.062 -14.324 1.00 52.55 C ATOM 936 C GLY A 63 -7.090 10.655 -13.113 1.00 24.01 C ATOM 937 O GLY A 63 -5.912 11.009 -12.999 1.00 65.40 O ATOM 0 H GLY A 63 -7.958 9.545 -15.763 1.00 43.02 H new ATOM 0 HA2 GLY A 63 -7.843 12.143 -14.451 1.00 52.55 H new ATOM 0 HA3 GLY A 63 -8.953 10.822 -14.147 1.00 52.55 H new ATOM 941 N ALA A 64 -7.708 9.899 -12.215 1.00 32.51 N ATOM 942 CA ALA A 64 -7.047 9.478 -10.996 1.00 44.13 C ATOM 943 C ALA A 64 -6.373 8.124 -11.164 1.00 21.03 C ATOM 944 O ALA A 64 -7.018 7.070 -11.147 1.00 14.21 O ATOM 945 CB ALA A 64 -8.011 9.463 -9.823 1.00 72.12 C ATOM 0 H ALA A 64 -8.667 9.567 -12.312 1.00 32.51 H new ATOM 0 HA ALA A 64 -6.268 10.210 -10.781 1.00 44.13 H new ATOM 0 HB1 ALA A 64 -7.485 9.143 -8.924 1.00 72.12 H new ATOM 0 HB2 ALA A 64 -8.414 10.464 -9.671 1.00 72.12 H new ATOM 0 HB3 ALA A 64 -8.827 8.771 -10.031 1.00 72.12 H new ATOM 951 N GLN A 65 -5.063 8.186 -11.350 1.00 60.11 N ATOM 952 CA GLN A 65 -4.214 7.004 -11.387 1.00 1.10 C ATOM 953 C GLN A 65 -3.433 6.872 -10.072 1.00 3.12 C ATOM 954 O GLN A 65 -2.324 6.333 -10.040 1.00 51.42 O ATOM 955 CB GLN A 65 -3.281 7.033 -12.624 1.00 10.44 C ATOM 956 CG GLN A 65 -2.629 8.383 -12.970 1.00 25.13 C ATOM 957 CD GLN A 65 -1.557 8.848 -11.988 1.00 43.14 C ATOM 958 OE1 GLN A 65 -0.388 8.497 -12.115 1.00 31.55 O ATOM 959 NE2 GLN A 65 -1.943 9.663 -11.022 1.00 51.10 N ATOM 0 H GLN A 65 -4.556 9.062 -11.480 1.00 60.11 H new ATOM 0 HA GLN A 65 -4.842 6.118 -11.487 1.00 1.10 H new ATOM 0 HB2 GLN A 65 -2.487 6.303 -12.468 1.00 10.44 H new ATOM 0 HB3 GLN A 65 -3.854 6.701 -13.490 1.00 10.44 H new ATOM 0 HG2 GLN A 65 -2.185 8.312 -13.963 1.00 25.13 H new ATOM 0 HG3 GLN A 65 -3.408 9.144 -13.022 1.00 25.13 H new ATOM 0 HE21 GLN A 65 -2.923 9.935 -10.945 1.00 51.10 H new ATOM 0 HE22 GLN A 65 -1.261 10.020 -10.353 1.00 51.10 H new ATOM 968 N ALA A 66 -4.041 7.347 -8.988 1.00 22.41 N ATOM 969 CA ALA A 66 -3.367 7.463 -7.706 1.00 71.14 C ATOM 970 C ALA A 66 -3.496 6.193 -6.859 1.00 14.44 C ATOM 971 O ALA A 66 -4.248 6.136 -5.885 1.00 44.43 O ATOM 972 CB ALA A 66 -3.891 8.681 -6.968 1.00 13.41 C ATOM 0 H ALA A 66 -5.012 7.660 -8.977 1.00 22.41 H new ATOM 0 HA ALA A 66 -2.301 7.590 -7.893 1.00 71.14 H new ATOM 0 HB1 ALA A 66 -3.386 8.769 -6.006 1.00 13.41 H new ATOM 0 HB2 ALA A 66 -3.700 9.576 -7.561 1.00 13.41 H new ATOM 0 HB3 ALA A 66 -4.964 8.575 -6.806 1.00 13.41 H new ATOM 978 N GLU A 67 -2.773 5.165 -7.274 1.00 53.32 N ATOM 979 CA GLU A 67 -2.656 3.921 -6.524 1.00 1.32 C ATOM 980 C GLU A 67 -1.164 3.603 -6.380 1.00 1.23 C ATOM 981 O GLU A 67 -0.343 4.508 -6.606 1.00 74.33 O ATOM 982 CB GLU A 67 -3.444 2.792 -7.212 1.00 64.30 C ATOM 983 CG GLU A 67 -4.947 3.065 -7.270 1.00 24.34 C ATOM 984 CD GLU A 67 -5.786 1.824 -7.422 1.00 74.23 C ATOM 985 OE1 GLU A 67 -5.833 1.024 -6.470 1.00 4.33 O ATOM 986 OE2 GLU A 67 -6.430 1.663 -8.481 1.00 43.12 O ATOM 0 H GLU A 67 -2.246 5.169 -8.147 1.00 53.32 H new ATOM 0 HA GLU A 67 -3.093 4.021 -5.530 1.00 1.32 H new ATOM 0 HB2 GLU A 67 -3.065 2.657 -8.225 1.00 64.30 H new ATOM 0 HB3 GLU A 67 -3.270 1.857 -6.679 1.00 64.30 H new ATOM 0 HG2 GLU A 67 -5.247 3.586 -6.361 1.00 24.34 H new ATOM 0 HG3 GLU A 67 -5.153 3.736 -8.104 1.00 24.34 H new ATOM 993 N TRP A 68 -0.780 2.372 -5.998 1.00 54.13 N ATOM 994 CA TRP A 68 0.647 2.067 -5.761 1.00 54.22 C ATOM 995 C TRP A 68 1.409 1.834 -7.047 1.00 64.10 C ATOM 996 O TRP A 68 1.534 0.713 -7.550 1.00 4.25 O ATOM 997 CB TRP A 68 0.846 0.920 -4.763 1.00 50.41 C ATOM 998 CG TRP A 68 0.275 1.237 -3.418 1.00 15.51 C ATOM 999 CD1 TRP A 68 -0.366 0.372 -2.597 1.00 73.03 C ATOM 1000 CD2 TRP A 68 0.264 2.512 -2.749 1.00 42.14 C ATOM 1001 NE1 TRP A 68 -0.812 1.024 -1.478 1.00 30.23 N ATOM 1002 CE2 TRP A 68 -0.423 2.336 -1.547 1.00 2.14 C ATOM 1003 CE3 TRP A 68 0.769 3.790 -3.050 1.00 34.22 C ATOM 1004 CZ2 TRP A 68 -0.629 3.379 -0.664 1.00 74.01 C ATOM 1005 CZ3 TRP A 68 0.568 4.816 -2.162 1.00 42.54 C ATOM 1006 CH2 TRP A 68 -0.125 4.607 -0.983 1.00 44.25 C ATOM 0 H TRP A 68 -1.417 1.589 -5.849 1.00 54.13 H new ATOM 0 HA TRP A 68 1.072 2.959 -5.300 1.00 54.22 H new ATOM 0 HB2 TRP A 68 0.376 0.017 -5.152 1.00 50.41 H new ATOM 0 HB3 TRP A 68 1.910 0.708 -4.663 1.00 50.41 H new ATOM 0 HD1 TRP A 68 -0.506 -0.680 -2.796 1.00 73.03 H new ATOM 0 HE1 TRP A 68 -1.346 0.602 -0.718 1.00 30.23 H new ATOM 0 HE3 TRP A 68 1.309 3.961 -3.970 1.00 34.22 H new ATOM 0 HZ2 TRP A 68 -1.175 3.226 0.255 1.00 74.01 H new ATOM 0 HZ3 TRP A 68 0.955 5.799 -2.386 1.00 42.54 H new ATOM 0 HH2 TRP A 68 -0.270 5.432 -0.301 1.00 44.25 H new ATOM 1017 N HIS A 69 1.887 2.949 -7.583 1.00 12.32 N ATOM 1018 CA HIS A 69 2.529 2.993 -8.879 1.00 43.24 C ATOM 1019 C HIS A 69 3.905 3.664 -8.734 1.00 74.15 C ATOM 1020 O HIS A 69 4.814 3.073 -8.157 1.00 40.55 O ATOM 1021 CB HIS A 69 1.623 3.725 -9.906 1.00 73.34 C ATOM 1022 CG HIS A 69 0.261 3.096 -10.140 1.00 71.42 C ATOM 1023 ND1 HIS A 69 -0.885 3.834 -10.341 1.00 22.13 N ATOM 1024 CD2 HIS A 69 -0.127 1.800 -10.200 1.00 55.41 C ATOM 1025 CE1 HIS A 69 -1.914 3.019 -10.509 1.00 65.34 C ATOM 1026 NE2 HIS A 69 -1.481 1.781 -10.429 1.00 24.21 N ATOM 0 H HIS A 69 1.837 3.856 -7.120 1.00 12.32 H new ATOM 0 HA HIS A 69 2.681 1.982 -9.258 1.00 43.24 H new ATOM 0 HB2 HIS A 69 1.477 4.751 -9.569 1.00 73.34 H new ATOM 0 HB3 HIS A 69 2.150 3.774 -10.859 1.00 73.34 H new ATOM 0 HD1 HIS A 69 -0.933 4.853 -10.358 1.00 22.13 H new ATOM 0 HD2 HIS A 69 0.513 0.937 -10.088 1.00 55.41 H new ATOM 0 HE1 HIS A 69 -2.936 3.320 -10.682 1.00 65.34 H new ATOM 1035 N GLU A 70 4.045 4.905 -9.206 1.00 32.04 N ATOM 1036 CA GLU A 70 5.310 5.645 -9.092 1.00 51.51 C ATOM 1037 C GLU A 70 5.364 6.405 -7.771 1.00 14.33 C ATOM 1038 O GLU A 70 6.426 6.564 -7.173 1.00 63.31 O ATOM 1039 CB GLU A 70 5.491 6.657 -10.240 1.00 23.13 C ATOM 1040 CG GLU A 70 5.657 6.062 -11.637 1.00 12.43 C ATOM 1041 CD GLU A 70 4.371 5.500 -12.216 1.00 60.25 C ATOM 1042 OE1 GLU A 70 3.326 6.178 -12.136 1.00 1.54 O ATOM 1043 OE2 GLU A 70 4.396 4.364 -12.725 1.00 44.32 O ATOM 0 H GLU A 70 3.299 5.421 -9.672 1.00 32.04 H new ATOM 0 HA GLU A 70 6.111 4.907 -9.142 1.00 51.51 H new ATOM 0 HB2 GLU A 70 4.628 7.323 -10.250 1.00 23.13 H new ATOM 0 HB3 GLU A 70 6.365 7.271 -10.022 1.00 23.13 H new ATOM 0 HG2 GLU A 70 6.041 6.831 -12.307 1.00 12.43 H new ATOM 0 HG3 GLU A 70 6.405 5.270 -11.599 1.00 12.43 H new ATOM 1050 N GLN A 71 4.186 6.820 -7.302 1.00 62.32 N ATOM 1051 CA GLN A 71 4.040 7.699 -6.136 1.00 24.42 C ATOM 1052 C GLN A 71 4.158 6.936 -4.807 1.00 32.23 C ATOM 1053 O GLN A 71 4.204 7.538 -3.728 1.00 61.54 O ATOM 1054 CB GLN A 71 2.700 8.425 -6.238 1.00 15.13 C ATOM 1055 CG GLN A 71 2.612 9.325 -7.463 1.00 24.12 C ATOM 1056 CD GLN A 71 1.208 9.804 -7.766 1.00 31.30 C ATOM 1057 OE1 GLN A 71 0.223 9.113 -7.509 1.00 33.04 O ATOM 1058 NE2 GLN A 71 1.114 10.990 -8.335 1.00 62.50 N ATOM 0 H GLN A 71 3.296 6.554 -7.724 1.00 62.32 H new ATOM 0 HA GLN A 71 4.856 8.421 -6.140 1.00 24.42 H new ATOM 0 HB2 GLN A 71 1.895 7.691 -6.273 1.00 15.13 H new ATOM 0 HB3 GLN A 71 2.546 9.024 -5.340 1.00 15.13 H new ATOM 0 HG2 GLN A 71 3.258 10.191 -7.314 1.00 24.12 H new ATOM 0 HG3 GLN A 71 2.997 8.785 -8.328 1.00 24.12 H new ATOM 0 HE21 GLN A 71 1.957 11.530 -8.531 1.00 62.50 H new ATOM 0 HE22 GLN A 71 0.198 11.367 -8.579 1.00 62.50 H new ATOM 1067 N ALA A 72 4.236 5.605 -4.911 1.00 35.44 N ATOM 1068 CA ALA A 72 4.344 4.708 -3.766 1.00 54.14 C ATOM 1069 C ALA A 72 5.726 4.763 -3.107 1.00 31.23 C ATOM 1070 O ALA A 72 5.852 4.472 -1.918 1.00 22.40 O ATOM 1071 CB ALA A 72 4.038 3.297 -4.217 1.00 42.41 C ATOM 0 H ALA A 72 4.225 5.118 -5.807 1.00 35.44 H new ATOM 0 HA ALA A 72 3.624 5.032 -3.015 1.00 54.14 H new ATOM 0 HB1 ALA A 72 4.116 2.618 -3.368 1.00 42.41 H new ATOM 0 HB2 ALA A 72 3.027 3.256 -4.622 1.00 42.41 H new ATOM 0 HB3 ALA A 72 4.750 2.999 -4.986 1.00 42.41 H new ATOM 1077 N GLU A 73 6.741 5.149 -3.902 1.00 2.02 N ATOM 1078 CA GLU A 73 8.148 5.228 -3.469 1.00 64.23 C ATOM 1079 C GLU A 73 8.352 6.236 -2.320 1.00 32.34 C ATOM 1080 O GLU A 73 9.167 6.012 -1.424 1.00 3.22 O ATOM 1081 CB GLU A 73 9.005 5.603 -4.696 1.00 62.21 C ATOM 1082 CG GLU A 73 10.517 5.605 -4.482 1.00 2.45 C ATOM 1083 CD GLU A 73 11.079 4.232 -4.178 1.00 54.31 C ATOM 1084 OE1 GLU A 73 11.053 3.361 -5.068 1.00 71.34 O ATOM 1085 OE2 GLU A 73 11.569 4.032 -3.051 1.00 75.23 O ATOM 0 H GLU A 73 6.605 5.418 -4.876 1.00 2.02 H new ATOM 0 HA GLU A 73 8.454 4.259 -3.074 1.00 64.23 H new ATOM 0 HB2 GLU A 73 8.773 4.907 -5.502 1.00 62.21 H new ATOM 0 HB3 GLU A 73 8.705 6.595 -5.034 1.00 62.21 H new ATOM 0 HG2 GLU A 73 11.003 6.000 -5.374 1.00 2.45 H new ATOM 0 HG3 GLU A 73 10.760 6.280 -3.661 1.00 2.45 H new ATOM 1092 N LYS A 74 7.581 7.326 -2.332 1.00 1.41 N ATOM 1093 CA LYS A 74 7.634 8.330 -1.268 1.00 62.21 C ATOM 1094 C LYS A 74 7.052 7.798 0.040 1.00 43.21 C ATOM 1095 O LYS A 74 7.645 7.962 1.109 1.00 23.31 O ATOM 1096 CB LYS A 74 6.860 9.585 -1.689 1.00 1.12 C ATOM 1097 CG LYS A 74 7.624 10.511 -2.622 1.00 72.11 C ATOM 1098 CD LYS A 74 8.808 11.143 -1.906 1.00 34.23 C ATOM 1099 CE LYS A 74 9.566 12.115 -2.792 1.00 24.43 C ATOM 1100 NZ LYS A 74 10.192 11.442 -3.954 1.00 42.41 N ATOM 0 H LYS A 74 6.910 7.536 -3.071 1.00 1.41 H new ATOM 0 HA LYS A 74 8.683 8.575 -1.103 1.00 62.21 H new ATOM 0 HB2 LYS A 74 5.935 9.280 -2.178 1.00 1.12 H new ATOM 0 HB3 LYS A 74 6.579 10.141 -0.794 1.00 1.12 H new ATOM 0 HG2 LYS A 74 7.974 9.952 -3.490 1.00 72.11 H new ATOM 0 HG3 LYS A 74 6.959 11.291 -2.992 1.00 72.11 H new ATOM 0 HD2 LYS A 74 8.455 11.665 -1.017 1.00 34.23 H new ATOM 0 HD3 LYS A 74 9.486 10.359 -1.568 1.00 34.23 H new ATOM 0 HE2 LYS A 74 8.884 12.888 -3.146 1.00 24.43 H new ATOM 0 HE3 LYS A 74 10.337 12.614 -2.205 1.00 24.43 H new ATOM 0 HZ1 LYS A 74 10.795 12.119 -4.464 1.00 42.41 H new ATOM 0 HZ2 LYS A 74 10.771 10.644 -3.623 1.00 42.41 H new ATOM 0 HZ3 LYS A 74 9.450 11.090 -4.592 1.00 42.41 H new ATOM 1114 N VAL A 75 5.905 7.136 -0.074 1.00 11.31 N ATOM 1115 CA VAL A 75 5.108 6.721 1.077 1.00 53.22 C ATOM 1116 C VAL A 75 5.746 5.527 1.823 1.00 73.42 C ATOM 1117 O VAL A 75 5.653 5.437 3.055 1.00 1.40 O ATOM 1118 CB VAL A 75 3.649 6.388 0.652 1.00 13.00 C ATOM 1119 CG1 VAL A 75 2.745 6.287 1.860 1.00 62.21 C ATOM 1120 CG2 VAL A 75 3.091 7.433 -0.299 1.00 24.05 C ATOM 0 H VAL A 75 5.500 6.871 -0.972 1.00 11.31 H new ATOM 0 HA VAL A 75 5.083 7.562 1.770 1.00 53.22 H new ATOM 0 HB VAL A 75 3.680 5.427 0.139 1.00 13.00 H new ATOM 0 HG11 VAL A 75 1.731 6.054 1.537 1.00 62.21 H new ATOM 0 HG12 VAL A 75 3.106 5.498 2.520 1.00 62.21 H new ATOM 0 HG13 VAL A 75 2.746 7.236 2.395 1.00 62.21 H new ATOM 0 HG21 VAL A 75 2.070 7.167 -0.574 1.00 24.05 H new ATOM 0 HG22 VAL A 75 3.093 8.407 0.189 1.00 24.05 H new ATOM 0 HG23 VAL A 75 3.709 7.476 -1.196 1.00 24.05 H new ATOM 1130 N GLU A 76 6.400 4.626 1.076 1.00 45.24 N ATOM 1131 CA GLU A 76 7.006 3.424 1.660 1.00 5.25 C ATOM 1132 C GLU A 76 8.190 3.759 2.594 1.00 63.21 C ATOM 1133 O GLU A 76 8.367 3.109 3.626 1.00 22.25 O ATOM 1134 CB GLU A 76 7.439 2.417 0.571 1.00 11.11 C ATOM 1135 CG GLU A 76 8.551 2.893 -0.347 1.00 40.11 C ATOM 1136 CD GLU A 76 9.508 1.782 -0.693 1.00 20.32 C ATOM 1137 OE1 GLU A 76 10.297 1.380 0.187 1.00 24.53 O ATOM 1138 OE2 GLU A 76 9.488 1.311 -1.845 1.00 42.32 O ATOM 0 H GLU A 76 6.522 4.708 0.067 1.00 45.24 H new ATOM 0 HA GLU A 76 6.233 2.955 2.268 1.00 5.25 H new ATOM 0 HB2 GLU A 76 7.761 1.497 1.058 1.00 11.11 H new ATOM 0 HB3 GLU A 76 6.569 2.168 -0.037 1.00 11.11 H new ATOM 0 HG2 GLU A 76 8.118 3.297 -1.262 1.00 40.11 H new ATOM 0 HG3 GLU A 76 9.096 3.705 0.134 1.00 40.11 H new ATOM 1145 N ALA A 77 8.964 4.797 2.243 1.00 71.35 N ATOM 1146 CA ALA A 77 10.121 5.232 3.036 1.00 25.22 C ATOM 1147 C ALA A 77 9.712 5.751 4.419 1.00 54.15 C ATOM 1148 O ALA A 77 10.462 5.615 5.391 1.00 71.14 O ATOM 1149 CB ALA A 77 10.884 6.302 2.279 1.00 71.22 C ATOM 0 H ALA A 77 8.805 5.356 1.405 1.00 71.35 H new ATOM 0 HA ALA A 77 10.761 4.364 3.195 1.00 25.22 H new ATOM 0 HB1 ALA A 77 11.742 6.623 2.869 1.00 71.22 H new ATOM 0 HB2 ALA A 77 11.229 5.898 1.327 1.00 71.22 H new ATOM 0 HB3 ALA A 77 10.230 7.154 2.096 1.00 71.22 H new ATOM 1155 N TYR A 78 8.510 6.322 4.488 1.00 32.24 N ATOM 1156 CA TYR A 78 7.957 6.864 5.725 1.00 45.33 C ATOM 1157 C TYR A 78 7.580 5.765 6.729 1.00 31.41 C ATOM 1158 O TYR A 78 7.738 5.944 7.924 1.00 62.54 O ATOM 1159 CB TYR A 78 6.738 7.721 5.390 1.00 15.22 C ATOM 1160 CG TYR A 78 6.139 8.456 6.570 1.00 32.04 C ATOM 1161 CD1 TYR A 78 6.830 9.482 7.199 1.00 72.24 C ATOM 1162 CD2 TYR A 78 4.880 8.123 7.050 1.00 64.11 C ATOM 1163 CE1 TYR A 78 6.284 10.153 8.273 1.00 51.11 C ATOM 1164 CE2 TYR A 78 4.329 8.790 8.123 1.00 11.33 C ATOM 1165 CZ TYR A 78 5.034 9.803 8.730 1.00 2.11 C ATOM 1166 OH TYR A 78 4.491 10.460 9.807 1.00 10.31 O ATOM 0 H TYR A 78 7.891 6.421 3.683 1.00 32.24 H new ATOM 0 HA TYR A 78 8.725 7.472 6.203 1.00 45.33 H new ATOM 0 HB2 TYR A 78 7.021 8.450 4.631 1.00 15.22 H new ATOM 0 HB3 TYR A 78 5.972 7.083 4.950 1.00 15.22 H new ATOM 0 HD1 TYR A 78 7.811 9.759 6.842 1.00 72.24 H new ATOM 0 HD2 TYR A 78 4.323 7.329 6.575 1.00 64.11 H new ATOM 0 HE1 TYR A 78 6.834 10.949 8.753 1.00 51.11 H new ATOM 0 HE2 TYR A 78 3.348 8.519 8.485 1.00 11.33 H new ATOM 0 HH TYR A 78 3.603 10.093 10.001 1.00 10.31 H new ATOM 1176 N LEU A 79 7.099 4.627 6.236 1.00 43.14 N ATOM 1177 CA LEU A 79 6.672 3.528 7.106 1.00 73.42 C ATOM 1178 C LEU A 79 7.883 2.849 7.768 1.00 60.14 C ATOM 1179 O LEU A 79 7.799 2.416 8.921 1.00 20.31 O ATOM 1180 CB LEU A 79 5.835 2.532 6.279 1.00 33.35 C ATOM 1181 CG LEU A 79 4.912 1.529 7.021 1.00 1.40 C ATOM 1182 CD1 LEU A 79 5.663 0.290 7.473 1.00 12.10 C ATOM 1183 CD2 LEU A 79 4.211 2.188 8.205 1.00 44.30 C ATOM 0 H LEU A 79 6.994 4.439 5.239 1.00 43.14 H new ATOM 0 HA LEU A 79 6.053 3.918 7.914 1.00 73.42 H new ATOM 0 HB2 LEU A 79 5.212 3.112 5.598 1.00 33.35 H new ATOM 0 HB3 LEU A 79 6.525 1.953 5.665 1.00 33.35 H new ATOM 0 HG LEU A 79 4.154 1.214 6.304 1.00 1.40 H new ATOM 0 HD11 LEU A 79 4.978 -0.384 7.987 1.00 12.10 H new ATOM 0 HD12 LEU A 79 6.086 -0.216 6.605 1.00 12.10 H new ATOM 0 HD13 LEU A 79 6.466 0.578 8.152 1.00 12.10 H new ATOM 0 HD21 LEU A 79 3.573 1.458 8.702 1.00 44.30 H new ATOM 0 HD22 LEU A 79 4.956 2.558 8.909 1.00 44.30 H new ATOM 0 HD23 LEU A 79 3.603 3.020 7.851 1.00 44.30 H new ATOM 1195 N VAL A 80 9.005 2.792 7.046 1.00 21.21 N ATOM 1196 CA VAL A 80 10.231 2.167 7.555 1.00 43.13 C ATOM 1197 C VAL A 80 10.861 3.010 8.682 1.00 4.54 C ATOM 1198 O VAL A 80 11.414 2.455 9.624 1.00 2.43 O ATOM 1199 CB VAL A 80 11.267 1.915 6.412 1.00 45.22 C ATOM 1200 CG1 VAL A 80 12.482 1.131 6.902 1.00 71.31 C ATOM 1201 CG2 VAL A 80 10.620 1.175 5.247 1.00 44.12 C ATOM 0 H VAL A 80 9.091 3.172 6.103 1.00 21.21 H new ATOM 0 HA VAL A 80 9.950 1.199 7.969 1.00 43.13 H new ATOM 0 HB VAL A 80 11.608 2.894 6.076 1.00 45.22 H new ATOM 0 HG11 VAL A 80 13.175 0.979 6.074 1.00 71.31 H new ATOM 0 HG12 VAL A 80 12.980 1.690 7.695 1.00 71.31 H new ATOM 0 HG13 VAL A 80 12.160 0.164 7.287 1.00 71.31 H new ATOM 0 HG21 VAL A 80 11.360 1.011 4.464 1.00 44.12 H new ATOM 0 HG22 VAL A 80 10.239 0.214 5.593 1.00 44.12 H new ATOM 0 HG23 VAL A 80 9.798 1.770 4.850 1.00 44.12 H new ATOM 1211 N GLU A 81 10.763 4.340 8.608 1.00 40.45 N ATOM 1212 CA GLU A 81 11.269 5.183 9.697 1.00 0.14 C ATOM 1213 C GLU A 81 10.308 5.227 10.904 1.00 32.55 C ATOM 1214 O GLU A 81 10.761 5.308 12.044 1.00 4.12 O ATOM 1215 CB GLU A 81 11.614 6.606 9.217 1.00 22.04 C ATOM 1216 CG GLU A 81 10.436 7.407 8.677 1.00 0.44 C ATOM 1217 CD GLU A 81 10.762 8.862 8.471 1.00 3.24 C ATOM 1218 OE1 GLU A 81 10.734 9.619 9.458 1.00 74.13 O ATOM 1219 OE2 GLU A 81 11.051 9.254 7.328 1.00 71.21 O ATOM 0 H GLU A 81 10.349 4.848 7.826 1.00 40.45 H new ATOM 0 HA GLU A 81 12.193 4.714 10.035 1.00 0.14 H new ATOM 0 HB2 GLU A 81 12.058 7.156 10.047 1.00 22.04 H new ATOM 0 HB3 GLU A 81 12.374 6.536 8.439 1.00 22.04 H new ATOM 0 HG2 GLU A 81 10.113 6.975 7.730 1.00 0.44 H new ATOM 0 HG3 GLU A 81 9.598 7.322 9.369 1.00 0.44 H new ATOM 1226 N LYS A 82 8.992 5.152 10.653 1.00 33.01 N ATOM 1227 CA LYS A 82 7.989 5.313 11.719 1.00 20.23 C ATOM 1228 C LYS A 82 7.767 4.058 12.543 1.00 52.03 C ATOM 1229 O LYS A 82 7.487 4.164 13.739 1.00 4.33 O ATOM 1230 CB LYS A 82 6.645 5.739 11.125 1.00 70.21 C ATOM 1231 CG LYS A 82 6.617 7.171 10.631 1.00 54.44 C ATOM 1232 CD LYS A 82 6.769 8.165 11.764 1.00 13.42 C ATOM 1233 CE LYS A 82 5.551 8.171 12.666 1.00 15.32 C ATOM 1234 NZ LYS A 82 5.715 9.078 13.823 1.00 14.23 N ATOM 0 H LYS A 82 8.598 4.982 9.727 1.00 33.01 H new ATOM 0 HA LYS A 82 8.389 6.080 12.382 1.00 20.23 H new ATOM 0 HB2 LYS A 82 6.398 5.075 10.297 1.00 70.21 H new ATOM 0 HB3 LYS A 82 5.869 5.610 11.879 1.00 70.21 H new ATOM 0 HG2 LYS A 82 7.418 7.321 9.907 1.00 54.44 H new ATOM 0 HG3 LYS A 82 5.678 7.356 10.110 1.00 54.44 H new ATOM 0 HD2 LYS A 82 7.655 7.918 12.349 1.00 13.42 H new ATOM 0 HD3 LYS A 82 6.925 9.163 11.355 1.00 13.42 H new ATOM 0 HE2 LYS A 82 4.677 8.474 12.090 1.00 15.32 H new ATOM 0 HE3 LYS A 82 5.362 7.159 13.024 1.00 15.32 H new ATOM 0 HZ1 LYS A 82 4.789 9.248 14.265 1.00 14.23 H new ATOM 0 HZ2 LYS A 82 6.356 8.643 14.517 1.00 14.23 H new ATOM 0 HZ3 LYS A 82 6.116 9.982 13.501 1.00 14.23 H new ATOM 1248 N GLN A 83 7.876 2.887 11.883 1.00 40.13 N ATOM 1249 CA GLN A 83 7.663 1.554 12.495 1.00 41.21 C ATOM 1250 C GLN A 83 6.205 1.332 12.939 1.00 22.24 C ATOM 1251 O GLN A 83 5.917 0.379 13.664 1.00 45.24 O ATOM 1252 CB GLN A 83 8.610 1.312 13.690 1.00 44.42 C ATOM 1253 CG GLN A 83 10.087 1.360 13.346 1.00 73.11 C ATOM 1254 CD GLN A 83 10.526 0.170 12.537 1.00 21.02 C ATOM 1255 OE1 GLN A 83 10.933 -0.846 13.085 1.00 51.51 O ATOM 1256 NE2 GLN A 83 10.447 0.287 11.232 1.00 52.53 N ATOM 0 H GLN A 83 8.118 2.837 10.893 1.00 40.13 H new ATOM 0 HA GLN A 83 7.892 0.832 11.711 1.00 41.21 H new ATOM 0 HB2 GLN A 83 8.405 2.059 14.456 1.00 44.42 H new ATOM 0 HB3 GLN A 83 8.383 0.339 14.125 1.00 44.42 H new ATOM 0 HG2 GLN A 83 10.298 2.273 12.789 1.00 73.11 H new ATOM 0 HG3 GLN A 83 10.670 1.406 14.266 1.00 73.11 H new ATOM 0 HE21 GLN A 83 10.102 1.153 10.818 1.00 52.53 H new ATOM 0 HE22 GLN A 83 10.731 -0.488 10.632 1.00 52.53 H new ATOM 1265 N ASP A 84 5.282 2.179 12.478 1.00 3.04 N ATOM 1266 CA ASP A 84 3.909 2.129 12.953 1.00 12.54 C ATOM 1267 C ASP A 84 2.918 2.363 11.806 1.00 24.14 C ATOM 1268 O ASP A 84 2.936 3.423 11.175 1.00 73.10 O ATOM 1269 CB ASP A 84 3.698 3.166 14.062 1.00 44.13 C ATOM 1270 CG ASP A 84 2.475 2.870 14.898 1.00 12.33 C ATOM 1271 OD1 ASP A 84 2.562 2.035 15.812 1.00 41.20 O ATOM 1272 OD2 ASP A 84 1.418 3.456 14.633 1.00 61.50 O ATOM 0 H ASP A 84 5.464 2.901 11.781 1.00 3.04 H new ATOM 0 HA ASP A 84 3.724 1.134 13.358 1.00 12.54 H new ATOM 0 HB2 ASP A 84 4.578 3.191 14.705 1.00 44.13 H new ATOM 0 HB3 ASP A 84 3.600 4.156 13.617 1.00 44.13 H new ATOM 1277 N PRO A 85 2.034 1.366 11.533 1.00 11.32 N ATOM 1278 CA PRO A 85 1.069 1.406 10.414 1.00 61.14 C ATOM 1279 C PRO A 85 -0.199 2.237 10.674 1.00 12.14 C ATOM 1280 O PRO A 85 -1.124 2.211 9.862 1.00 1.24 O ATOM 1281 CB PRO A 85 0.682 -0.061 10.262 1.00 31.13 C ATOM 1282 CG PRO A 85 0.779 -0.618 11.636 1.00 25.25 C ATOM 1283 CD PRO A 85 1.930 0.091 12.281 1.00 11.44 C ATOM 0 HA PRO A 85 1.518 1.880 9.541 1.00 61.14 H new ATOM 0 HB2 PRO A 85 -0.327 -0.166 9.862 1.00 31.13 H new ATOM 0 HB3 PRO A 85 1.352 -0.579 9.576 1.00 31.13 H new ATOM 0 HG2 PRO A 85 -0.144 -0.452 12.192 1.00 25.25 H new ATOM 0 HG3 PRO A 85 0.947 -1.695 11.611 1.00 25.25 H new ATOM 0 HD2 PRO A 85 1.747 0.265 13.341 1.00 11.44 H new ATOM 0 HD3 PRO A 85 2.849 -0.491 12.207 1.00 11.44 H new ATOM 1291 N THR A 86 -0.257 2.953 11.795 1.00 4.13 N ATOM 1292 CA THR A 86 -1.413 3.784 12.101 1.00 23.20 C ATOM 1293 C THR A 86 -0.988 5.176 12.610 1.00 40.30 C ATOM 1294 O THR A 86 -1.833 6.025 12.913 1.00 22.40 O ATOM 1295 CB THR A 86 -2.373 3.065 13.105 1.00 44.23 C ATOM 1296 OG1 THR A 86 -3.563 3.831 13.316 1.00 33.12 O ATOM 1297 CG2 THR A 86 -1.719 2.780 14.449 1.00 45.24 C ATOM 0 H THR A 86 0.479 2.973 12.501 1.00 4.13 H new ATOM 0 HA THR A 86 -1.967 3.939 11.175 1.00 23.20 H new ATOM 0 HB THR A 86 -2.624 2.109 12.645 1.00 44.23 H new ATOM 0 HG1 THR A 86 -4.333 3.346 12.952 1.00 33.12 H new ATOM 0 HG21 THR A 86 -2.434 2.280 15.103 1.00 45.24 H new ATOM 0 HG22 THR A 86 -0.851 2.137 14.302 1.00 45.24 H new ATOM 0 HG23 THR A 86 -1.403 3.718 14.906 1.00 45.24 H new ATOM 1305 N ASP A 87 0.321 5.434 12.660 1.00 5.53 N ATOM 1306 CA ASP A 87 0.811 6.732 13.115 1.00 4.54 C ATOM 1307 C ASP A 87 0.882 7.699 11.945 1.00 3.00 C ATOM 1308 O ASP A 87 1.875 7.744 11.208 1.00 65.33 O ATOM 1309 CB ASP A 87 2.176 6.622 13.805 1.00 54.21 C ATOM 1310 CG ASP A 87 2.435 7.777 14.749 1.00 44.20 C ATOM 1311 OD1 ASP A 87 2.780 8.877 14.279 1.00 54.14 O ATOM 1312 OD2 ASP A 87 2.290 7.591 15.966 1.00 33.41 O ATOM 0 H ASP A 87 1.049 4.771 12.395 1.00 5.53 H new ATOM 0 HA ASP A 87 0.107 7.112 13.855 1.00 4.54 H new ATOM 0 HB2 ASP A 87 2.227 5.684 14.358 1.00 54.21 H new ATOM 0 HB3 ASP A 87 2.961 6.589 13.050 1.00 54.21 H new ATOM 1317 N ILE A 88 -0.200 8.448 11.772 1.00 62.54 N ATOM 1318 CA ILE A 88 -0.330 9.381 10.671 1.00 53.53 C ATOM 1319 C ILE A 88 -1.411 10.430 10.988 1.00 25.53 C ATOM 1320 O ILE A 88 -2.363 10.158 11.726 1.00 74.44 O ATOM 1321 CB ILE A 88 -0.636 8.622 9.337 1.00 23.40 C ATOM 1322 CG1 ILE A 88 -0.476 9.542 8.119 1.00 5.31 C ATOM 1323 CG2 ILE A 88 -2.028 7.981 9.350 1.00 51.24 C ATOM 1324 CD1 ILE A 88 0.941 10.024 7.885 1.00 23.31 C ATOM 0 H ILE A 88 -1.009 8.422 12.393 1.00 62.54 H new ATOM 0 HA ILE A 88 0.616 9.905 10.538 1.00 53.53 H new ATOM 0 HB ILE A 88 0.097 7.819 9.256 1.00 23.40 H new ATOM 0 HG12 ILE A 88 -0.819 9.012 7.230 1.00 5.31 H new ATOM 0 HG13 ILE A 88 -1.126 10.408 8.244 1.00 5.31 H new ATOM 0 HG21 ILE A 88 -2.200 7.465 8.406 1.00 51.24 H new ATOM 0 HG22 ILE A 88 -2.092 7.267 10.171 1.00 51.24 H new ATOM 0 HG23 ILE A 88 -2.784 8.755 9.483 1.00 51.24 H new ATOM 0 HD11 ILE A 88 0.966 10.668 7.006 1.00 23.31 H new ATOM 0 HD12 ILE A 88 1.283 10.584 8.755 1.00 23.31 H new ATOM 0 HD13 ILE A 88 1.595 9.167 7.725 1.00 23.31 H new ATOM 1336 N LYS A 89 -1.217 11.634 10.470 1.00 54.53 N ATOM 1337 CA LYS A 89 -2.212 12.688 10.525 1.00 42.21 C ATOM 1338 C LYS A 89 -2.268 13.372 9.160 1.00 5.43 C ATOM 1339 O LYS A 89 -1.243 13.807 8.635 1.00 41.50 O ATOM 1340 CB LYS A 89 -1.864 13.681 11.650 1.00 42.22 C ATOM 1341 CG LYS A 89 -2.838 14.841 11.807 1.00 23.43 C ATOM 1342 CD LYS A 89 -2.525 15.652 13.056 1.00 42.33 C ATOM 1343 CE LYS A 89 -3.396 16.896 13.162 1.00 23.20 C ATOM 1344 NZ LYS A 89 -2.951 17.972 12.236 1.00 51.34 N ATOM 0 H LYS A 89 -0.356 11.906 9.996 1.00 54.53 H new ATOM 0 HA LYS A 89 -3.196 12.277 10.751 1.00 42.21 H new ATOM 0 HB2 LYS A 89 -1.816 13.136 12.593 1.00 42.22 H new ATOM 0 HB3 LYS A 89 -0.869 14.084 11.463 1.00 42.22 H new ATOM 0 HG2 LYS A 89 -2.787 15.485 10.929 1.00 23.43 H new ATOM 0 HG3 LYS A 89 -3.857 14.459 11.863 1.00 23.43 H new ATOM 0 HD2 LYS A 89 -2.673 15.030 13.939 1.00 42.33 H new ATOM 0 HD3 LYS A 89 -1.475 15.945 13.044 1.00 42.33 H new ATOM 0 HE2 LYS A 89 -4.431 16.633 12.941 1.00 23.20 H new ATOM 0 HE3 LYS A 89 -3.373 17.268 14.186 1.00 23.20 H new ATOM 0 HZ1 LYS A 89 -3.572 18.800 12.342 1.00 51.34 H new ATOM 0 HZ2 LYS A 89 -1.972 18.242 12.462 1.00 51.34 H new ATOM 0 HZ3 LYS A 89 -2.997 17.628 11.256 1.00 51.34 H new ATOM 1358 N TYR A 90 -3.453 13.415 8.569 1.00 64.55 N ATOM 1359 CA TYR A 90 -3.624 14.039 7.261 1.00 52.52 C ATOM 1360 C TYR A 90 -4.177 15.444 7.407 1.00 65.00 C ATOM 1361 O TYR A 90 -4.798 15.779 8.416 1.00 21.23 O ATOM 1362 CB TYR A 90 -4.562 13.223 6.357 1.00 51.11 C ATOM 1363 CG TYR A 90 -4.217 11.761 6.265 1.00 44.21 C ATOM 1364 CD1 TYR A 90 -3.076 11.332 5.600 1.00 22.11 C ATOM 1365 CD2 TYR A 90 -5.026 10.811 6.861 1.00 42.10 C ATOM 1366 CE1 TYR A 90 -2.760 9.993 5.529 1.00 2.32 C ATOM 1367 CE2 TYR A 90 -4.714 9.473 6.800 1.00 21.14 C ATOM 1368 CZ TYR A 90 -3.582 9.068 6.139 1.00 74.34 C ATOM 1369 OH TYR A 90 -3.273 7.734 6.097 1.00 12.22 O ATOM 0 H TYR A 90 -4.307 13.028 8.970 1.00 64.55 H new ATOM 0 HA TYR A 90 -2.639 14.076 6.796 1.00 52.52 H new ATOM 0 HB2 TYR A 90 -5.582 13.321 6.729 1.00 51.11 H new ATOM 0 HB3 TYR A 90 -4.546 13.652 5.355 1.00 51.11 H new ATOM 0 HD1 TYR A 90 -2.428 12.058 5.132 1.00 22.11 H new ATOM 0 HD2 TYR A 90 -5.918 11.125 7.383 1.00 42.10 H new ATOM 0 HE1 TYR A 90 -1.876 9.670 5.000 1.00 2.32 H new ATOM 0 HE2 TYR A 90 -5.357 8.744 7.270 1.00 21.14 H new ATOM 0 HH TYR A 90 -2.580 7.580 5.422 1.00 12.22 H new ATOM 1379 N LYS A 91 -3.945 16.261 6.394 1.00 33.45 N ATOM 1380 CA LYS A 91 -4.532 17.588 6.314 1.00 52.51 C ATOM 1381 C LYS A 91 -5.164 17.773 4.937 1.00 61.53 C ATOM 1382 O LYS A 91 -4.595 18.426 4.061 1.00 62.41 O ATOM 1383 CB LYS A 91 -3.470 18.694 6.603 1.00 74.31 C ATOM 1384 CG LYS A 91 -1.985 18.301 6.398 1.00 52.03 C ATOM 1385 CD LYS A 91 -1.572 18.110 4.935 1.00 3.52 C ATOM 1386 CE LYS A 91 -1.545 19.417 4.147 1.00 54.42 C ATOM 1387 NZ LYS A 91 -0.488 20.341 4.618 1.00 52.33 N ATOM 0 H LYS A 91 -3.345 16.024 5.604 1.00 33.45 H new ATOM 0 HA LYS A 91 -5.305 17.684 7.077 1.00 52.51 H new ATOM 0 HB2 LYS A 91 -3.687 19.550 5.964 1.00 74.31 H new ATOM 0 HB3 LYS A 91 -3.595 19.026 7.634 1.00 74.31 H new ATOM 0 HG2 LYS A 91 -1.354 19.071 6.842 1.00 52.03 H new ATOM 0 HG3 LYS A 91 -1.789 17.376 6.941 1.00 52.03 H new ATOM 0 HD2 LYS A 91 -0.584 17.650 4.899 1.00 3.52 H new ATOM 0 HD3 LYS A 91 -2.264 17.417 4.455 1.00 3.52 H new ATOM 0 HE2 LYS A 91 -1.387 19.198 3.091 1.00 54.42 H new ATOM 0 HE3 LYS A 91 -2.515 19.907 4.229 1.00 54.42 H new ATOM 0 HZ1 LYS A 91 -0.565 21.245 4.110 1.00 52.33 H new ATOM 0 HZ2 LYS A 91 -0.601 20.507 5.638 1.00 52.33 H new ATOM 0 HZ3 LYS A 91 0.446 19.921 4.437 1.00 52.33 H new ATOM 1401 N ASP A 92 -6.355 17.212 4.742 1.00 43.30 N ATOM 1402 CA ASP A 92 -6.941 17.136 3.413 1.00 45.11 C ATOM 1403 C ASP A 92 -8.402 16.713 3.522 1.00 10.14 C ATOM 1404 O ASP A 92 -8.942 16.613 4.626 1.00 20.53 O ATOM 1405 CB ASP A 92 -6.154 16.152 2.535 1.00 65.33 C ATOM 1406 CG ASP A 92 -6.093 16.602 1.099 1.00 24.03 C ATOM 1407 OD1 ASP A 92 -5.259 17.464 0.781 1.00 1.52 O ATOM 1408 OD2 ASP A 92 -6.878 16.092 0.288 1.00 72.53 O ATOM 0 H ASP A 92 -6.927 16.807 5.483 1.00 43.30 H new ATOM 0 HA ASP A 92 -6.893 18.119 2.944 1.00 45.11 H new ATOM 0 HB2 ASP A 92 -5.142 16.047 2.925 1.00 65.33 H new ATOM 0 HB3 ASP A 92 -6.619 15.168 2.587 1.00 65.33 H new ATOM 1413 N ASN A 93 -9.029 16.449 2.383 1.00 44.51 N ATOM 1414 CA ASN A 93 -10.336 15.804 2.342 1.00 64.44 C ATOM 1415 C ASN A 93 -10.235 14.443 1.633 1.00 52.23 C ATOM 1416 O ASN A 93 -11.239 13.769 1.416 1.00 30.13 O ATOM 1417 CB ASN A 93 -11.383 16.709 1.656 1.00 51.12 C ATOM 1418 CG ASN A 93 -11.096 17.004 0.189 1.00 71.23 C ATOM 1419 OD1 ASN A 93 -11.539 16.282 -0.702 1.00 15.33 O ATOM 1420 ND2 ASN A 93 -10.377 18.081 -0.066 1.00 53.24 N ATOM 0 H ASN A 93 -8.648 16.675 1.464 1.00 44.51 H new ATOM 0 HA ASN A 93 -10.668 15.637 3.367 1.00 64.44 H new ATOM 0 HB2 ASN A 93 -12.362 16.235 1.734 1.00 51.12 H new ATOM 0 HB3 ASN A 93 -11.441 17.652 2.199 1.00 51.12 H new ATOM 0 HD21 ASN A 93 -10.171 18.340 -1.031 1.00 53.24 H new ATOM 0 HD22 ASN A 93 -10.027 18.654 0.702 1.00 53.24 H new ATOM 1427 N ASP A 94 -9.005 14.035 1.309 1.00 13.44 N ATOM 1428 CA ASP A 94 -8.749 12.803 0.557 1.00 31.31 C ATOM 1429 C ASP A 94 -7.872 11.868 1.379 1.00 71.05 C ATOM 1430 O ASP A 94 -8.187 10.692 1.570 1.00 74.24 O ATOM 1431 CB ASP A 94 -8.057 13.131 -0.780 1.00 44.20 C ATOM 1432 CG ASP A 94 -7.824 11.923 -1.651 1.00 11.25 C ATOM 1433 OD1 ASP A 94 -8.786 11.187 -1.951 1.00 4.02 O ATOM 1434 OD2 ASP A 94 -6.670 11.714 -2.050 1.00 43.52 O ATOM 0 H ASP A 94 -8.160 14.548 1.560 1.00 13.44 H new ATOM 0 HA ASP A 94 -9.700 12.312 0.350 1.00 31.31 H new ATOM 0 HB2 ASP A 94 -8.665 13.851 -1.327 1.00 44.20 H new ATOM 0 HB3 ASP A 94 -7.100 13.612 -0.576 1.00 44.20 H new ATOM 1439 N GLY A 95 -6.779 12.421 1.879 1.00 4.31 N ATOM 1440 CA GLY A 95 -5.843 11.653 2.660 1.00 12.23 C ATOM 1441 C GLY A 95 -4.416 12.007 2.334 1.00 32.35 C ATOM 1442 O GLY A 95 -3.576 11.129 2.212 1.00 63.45 O ATOM 0 H GLY A 95 -6.524 13.401 1.754 1.00 4.31 H new ATOM 0 HA2 GLY A 95 -6.027 11.826 3.720 1.00 12.23 H new ATOM 0 HA3 GLY A 95 -6.004 10.590 2.478 1.00 12.23 H new ATOM 1446 N HIS A 96 -4.141 13.299 2.188 1.00 23.44 N ATOM 1447 CA HIS A 96 -2.788 13.760 1.862 1.00 35.21 C ATOM 1448 C HIS A 96 -2.093 14.213 3.136 1.00 42.40 C ATOM 1449 O HIS A 96 -2.724 14.799 4.018 1.00 30.31 O ATOM 1450 CB HIS A 96 -2.804 14.913 0.835 1.00 61.21 C ATOM 1451 CG HIS A 96 -3.466 14.592 -0.489 1.00 1.41 C ATOM 1452 ND1 HIS A 96 -3.979 15.560 -1.322 1.00 45.41 N ATOM 1453 CD2 HIS A 96 -3.735 13.411 -1.096 1.00 31.30 C ATOM 1454 CE1 HIS A 96 -4.531 14.992 -2.376 1.00 45.50 C ATOM 1455 NE2 HIS A 96 -4.400 13.688 -2.262 1.00 22.54 N ATOM 0 H HIS A 96 -4.830 14.045 2.289 1.00 23.44 H new ATOM 0 HA HIS A 96 -2.246 12.928 1.412 1.00 35.21 H new ATOM 0 HB2 HIS A 96 -3.315 15.767 1.280 1.00 61.21 H new ATOM 0 HB3 HIS A 96 -1.776 15.221 0.643 1.00 61.21 H new ATOM 0 HD2 HIS A 96 -3.473 12.430 -0.728 1.00 31.30 H new ATOM 0 HE1 HIS A 96 -5.010 15.510 -3.194 1.00 45.50 H new ATOM 0 HE2 HIS A 96 -4.738 12.997 -2.931 1.00 22.54 H new ATOM 1464 N THR A 97 -0.802 13.966 3.222 1.00 20.21 N ATOM 1465 CA THR A 97 -0.070 14.228 4.449 1.00 4.23 C ATOM 1466 C THR A 97 1.109 15.160 4.181 1.00 1.35 C ATOM 1467 O THR A 97 1.697 15.154 3.093 1.00 51.22 O ATOM 1468 CB THR A 97 0.383 12.911 5.152 1.00 61.14 C ATOM 1469 OG1 THR A 97 1.100 13.195 6.360 1.00 13.03 O ATOM 1470 CG2 THR A 97 1.245 12.046 4.248 1.00 44.44 C ATOM 0 H THR A 97 -0.238 13.586 2.462 1.00 20.21 H new ATOM 0 HA THR A 97 -0.747 14.730 5.140 1.00 4.23 H new ATOM 0 HB THR A 97 -0.526 12.358 5.389 1.00 61.14 H new ATOM 0 HG1 THR A 97 0.464 13.373 7.084 1.00 13.03 H new ATOM 0 HG21 THR A 97 1.536 11.141 4.780 1.00 44.44 H new ATOM 0 HG22 THR A 97 0.680 11.776 3.356 1.00 44.44 H new ATOM 0 HG23 THR A 97 2.138 12.600 3.958 1.00 44.44 H new ATOM 1478 N ASP A 98 1.428 15.971 5.180 1.00 71.04 N ATOM 1479 CA ASP A 98 2.488 16.967 5.086 1.00 72.24 C ATOM 1480 C ASP A 98 3.795 16.389 5.629 1.00 32.43 C ATOM 1481 O ASP A 98 4.866 16.977 5.473 1.00 31.25 O ATOM 1482 CB ASP A 98 2.080 18.212 5.880 1.00 12.40 C ATOM 1483 CG ASP A 98 2.836 19.459 5.483 1.00 35.15 C ATOM 1484 OD1 ASP A 98 2.474 20.069 4.460 1.00 14.14 O ATOM 1485 OD2 ASP A 98 3.776 19.849 6.197 1.00 60.44 O ATOM 0 H ASP A 98 0.956 15.957 6.084 1.00 71.04 H new ATOM 0 HA ASP A 98 2.642 17.244 4.043 1.00 72.24 H new ATOM 0 HB2 ASP A 98 1.013 18.386 5.744 1.00 12.40 H new ATOM 0 HB3 ASP A 98 2.239 18.024 6.942 1.00 12.40 H new ATOM 1490 N ALA A 99 3.685 15.217 6.263 1.00 25.33 N ATOM 1491 CA ALA A 99 4.823 14.516 6.839 1.00 2.25 C ATOM 1492 C ALA A 99 5.754 13.971 5.759 1.00 43.42 C ATOM 1493 O ALA A 99 6.973 13.998 5.918 1.00 44.51 O ATOM 1494 CB ALA A 99 4.331 13.390 7.732 1.00 72.44 C ATOM 0 H ALA A 99 2.797 14.731 6.388 1.00 25.33 H new ATOM 0 HA ALA A 99 5.395 15.228 7.434 1.00 2.25 H new ATOM 0 HB1 ALA A 99 5.185 12.867 8.162 1.00 72.44 H new ATOM 0 HB2 ALA A 99 3.717 13.802 8.533 1.00 72.44 H new ATOM 0 HB3 ALA A 99 3.737 12.692 7.143 1.00 72.44 H new ATOM 1500 N ILE A 100 5.178 13.498 4.655 1.00 4.23 N ATOM 1501 CA ILE A 100 5.971 13.002 3.539 1.00 22.23 C ATOM 1502 C ILE A 100 6.089 14.094 2.482 1.00 74.33 C ATOM 1503 O ILE A 100 5.079 14.524 1.918 1.00 64.00 O ATOM 1504 CB ILE A 100 5.357 11.738 2.884 1.00 73.44 C ATOM 1505 CG1 ILE A 100 4.923 10.727 3.948 1.00 15.32 C ATOM 1506 CG2 ILE A 100 6.372 11.104 1.929 1.00 51.51 C ATOM 1507 CD1 ILE A 100 4.115 9.566 3.407 1.00 52.23 C ATOM 0 H ILE A 100 4.169 13.449 4.513 1.00 4.23 H new ATOM 0 HA ILE A 100 6.949 12.728 3.935 1.00 22.23 H new ATOM 0 HB ILE A 100 4.472 12.034 2.320 1.00 73.44 H new ATOM 0 HG12 ILE A 100 5.811 10.337 4.446 1.00 15.32 H new ATOM 0 HG13 ILE A 100 4.334 11.244 4.705 1.00 15.32 H new ATOM 0 HG21 ILE A 100 5.936 10.216 1.471 1.00 51.51 H new ATOM 0 HG22 ILE A 100 6.637 11.820 1.151 1.00 51.51 H new ATOM 0 HG23 ILE A 100 7.267 10.823 2.484 1.00 51.51 H new ATOM 0 HD11 ILE A 100 3.848 8.897 4.225 1.00 52.23 H new ATOM 0 HD12 ILE A 100 3.208 9.943 2.935 1.00 52.23 H new ATOM 0 HD13 ILE A 100 4.707 9.022 2.672 1.00 52.23 H new ATOM 1519 N SER A 101 7.322 14.553 2.267 1.00 71.41 N ATOM 1520 CA SER A 101 7.644 15.565 1.255 1.00 40.02 C ATOM 1521 C SER A 101 7.347 15.064 -0.158 1.00 51.01 C ATOM 1522 O SER A 101 8.029 14.176 -0.668 1.00 11.21 O ATOM 1523 CB SER A 101 9.124 15.954 1.356 1.00 4.22 C ATOM 1524 OG SER A 101 9.488 16.260 2.694 1.00 75.34 O ATOM 0 H SER A 101 8.134 14.231 2.794 1.00 71.41 H new ATOM 0 HA SER A 101 7.016 16.435 1.447 1.00 40.02 H new ATOM 0 HB2 SER A 101 9.743 15.136 0.987 1.00 4.22 H new ATOM 0 HB3 SER A 101 9.320 16.816 0.718 1.00 4.22 H new ATOM 0 HG SER A 101 10.437 16.503 2.728 1.00 75.34 H new ATOM 1530 N GLY A 102 6.300 15.623 -0.758 1.00 13.01 N ATOM 1531 CA GLY A 102 5.956 15.302 -2.131 1.00 2.11 C ATOM 1532 C GLY A 102 4.909 14.208 -2.266 1.00 20.20 C ATOM 1533 O GLY A 102 4.707 13.683 -3.366 1.00 3.50 O ATOM 0 H GLY A 102 5.679 16.298 -0.312 1.00 13.01 H new ATOM 0 HA2 GLY A 102 5.591 16.203 -2.624 1.00 2.11 H new ATOM 0 HA3 GLY A 102 6.859 14.994 -2.659 1.00 2.11 H new ATOM 1537 N ALA A 103 4.254 13.840 -1.161 1.00 71.25 N ATOM 1538 CA ALA A 103 3.167 12.866 -1.212 1.00 31.32 C ATOM 1539 C ALA A 103 1.843 13.551 -1.549 1.00 20.10 C ATOM 1540 O ALA A 103 1.104 14.015 -0.674 1.00 25.31 O ATOM 1541 CB ALA A 103 3.065 12.080 0.086 1.00 15.24 C ATOM 0 H ALA A 103 4.457 14.200 -0.229 1.00 71.25 H new ATOM 0 HA ALA A 103 3.392 12.154 -2.006 1.00 31.32 H new ATOM 0 HB1 ALA A 103 2.246 11.364 0.014 1.00 15.24 H new ATOM 0 HB2 ALA A 103 3.999 11.547 0.263 1.00 15.24 H new ATOM 0 HB3 ALA A 103 2.877 12.765 0.912 1.00 15.24 H new ATOM 1547 N THR A 104 1.580 13.624 -2.845 1.00 14.34 N ATOM 1548 CA THR A 104 0.375 14.243 -3.368 1.00 5.42 C ATOM 1549 C THR A 104 -0.700 13.171 -3.639 1.00 32.10 C ATOM 1550 O THR A 104 -1.841 13.478 -3.984 1.00 64.32 O ATOM 1551 CB THR A 104 0.718 15.065 -4.647 1.00 43.33 C ATOM 1552 OG1 THR A 104 -0.400 15.848 -5.074 1.00 21.33 O ATOM 1553 CG2 THR A 104 1.180 14.171 -5.797 1.00 31.25 C ATOM 0 H THR A 104 2.200 13.254 -3.565 1.00 14.34 H new ATOM 0 HA THR A 104 -0.034 14.932 -2.630 1.00 5.42 H new ATOM 0 HB THR A 104 1.539 15.728 -4.376 1.00 43.33 H new ATOM 0 HG1 THR A 104 -1.231 15.367 -4.877 1.00 21.33 H new ATOM 0 HG21 THR A 104 1.408 14.786 -6.667 1.00 31.25 H new ATOM 0 HG22 THR A 104 2.073 13.623 -5.496 1.00 31.25 H new ATOM 0 HG23 THR A 104 0.389 13.465 -6.049 1.00 31.25 H new ATOM 1561 N ILE A 105 -0.304 11.911 -3.464 1.00 30.44 N ATOM 1562 CA ILE A 105 -1.193 10.759 -3.559 1.00 1.03 C ATOM 1563 C ILE A 105 -1.840 10.515 -2.175 1.00 72.40 C ATOM 1564 O ILE A 105 -1.254 10.904 -1.153 1.00 42.21 O ATOM 1565 CB ILE A 105 -0.350 9.537 -4.082 1.00 5.01 C ATOM 1566 CG1 ILE A 105 -1.226 8.360 -4.589 1.00 33.24 C ATOM 1567 CG2 ILE A 105 0.691 9.075 -3.054 1.00 35.02 C ATOM 1568 CD1 ILE A 105 -1.610 7.290 -3.583 1.00 64.31 C ATOM 0 H ILE A 105 0.661 11.660 -3.249 1.00 30.44 H new ATOM 0 HA ILE A 105 -2.009 10.921 -4.263 1.00 1.03 H new ATOM 0 HB ILE A 105 0.193 9.902 -4.954 1.00 5.01 H new ATOM 0 HG12 ILE A 105 -2.144 8.777 -5.003 1.00 33.24 H new ATOM 0 HG13 ILE A 105 -0.697 7.876 -5.410 1.00 33.24 H new ATOM 0 HG21 ILE A 105 1.250 8.230 -3.457 1.00 35.02 H new ATOM 0 HG22 ILE A 105 1.377 9.894 -2.838 1.00 35.02 H new ATOM 0 HG23 ILE A 105 0.187 8.772 -2.136 1.00 35.02 H new ATOM 0 HD11 ILE A 105 -2.220 6.532 -4.073 1.00 64.31 H new ATOM 0 HD12 ILE A 105 -0.708 6.827 -3.183 1.00 64.31 H new ATOM 0 HD13 ILE A 105 -2.177 7.742 -2.770 1.00 64.31 H new ATOM 1580 N LYS A 106 -3.089 10.007 -2.149 1.00 61.44 N ATOM 1581 CA LYS A 106 -3.714 9.555 -0.899 1.00 44.23 C ATOM 1582 C LYS A 106 -2.880 8.485 -0.167 1.00 2.43 C ATOM 1583 O LYS A 106 -2.788 7.315 -0.545 1.00 34.32 O ATOM 1584 CB LYS A 106 -5.191 9.101 -1.068 1.00 63.14 C ATOM 1585 CG LYS A 106 -5.471 7.843 -1.911 1.00 4.22 C ATOM 1586 CD LYS A 106 -5.337 8.066 -3.414 1.00 24.22 C ATOM 1587 CE LYS A 106 -6.345 9.076 -3.950 1.00 21.43 C ATOM 1588 NZ LYS A 106 -7.751 8.623 -3.779 1.00 2.12 N ATOM 0 H LYS A 106 -3.677 9.902 -2.975 1.00 61.44 H new ATOM 0 HA LYS A 106 -3.735 10.442 -0.265 1.00 44.23 H new ATOM 0 HB2 LYS A 106 -5.605 8.935 -0.073 1.00 63.14 H new ATOM 0 HB3 LYS A 106 -5.746 9.929 -1.510 1.00 63.14 H new ATOM 0 HG2 LYS A 106 -4.783 7.053 -1.608 1.00 4.22 H new ATOM 0 HG3 LYS A 106 -6.479 7.489 -1.694 1.00 4.22 H new ATOM 0 HD2 LYS A 106 -4.328 8.412 -3.637 1.00 24.22 H new ATOM 0 HD3 LYS A 106 -5.470 7.116 -3.932 1.00 24.22 H new ATOM 0 HE2 LYS A 106 -6.208 10.028 -3.437 1.00 21.43 H new ATOM 0 HE3 LYS A 106 -6.150 9.253 -5.008 1.00 21.43 H new ATOM 0 HZ1 LYS A 106 -8.244 8.669 -4.694 1.00 2.12 H new ATOM 0 HZ2 LYS A 106 -7.760 7.644 -3.429 1.00 2.12 H new ATOM 0 HZ3 LYS A 106 -8.234 9.240 -3.094 1.00 2.12 H new ATOM 1602 N VAL A 107 -2.281 8.944 0.912 1.00 45.53 N ATOM 1603 CA VAL A 107 -1.558 8.115 1.859 1.00 42.24 C ATOM 1604 C VAL A 107 -2.574 7.433 2.805 1.00 61.05 C ATOM 1605 O VAL A 107 -2.249 6.504 3.550 1.00 12.05 O ATOM 1606 CB VAL A 107 -0.526 9.017 2.610 1.00 2.54 C ATOM 1607 CG1 VAL A 107 0.202 8.301 3.727 1.00 61.30 C ATOM 1608 CG2 VAL A 107 0.493 9.542 1.619 1.00 30.31 C ATOM 0 H VAL A 107 -2.283 9.933 1.163 1.00 45.53 H new ATOM 0 HA VAL A 107 -1.001 7.319 1.364 1.00 42.24 H new ATOM 0 HB VAL A 107 -1.094 9.828 3.067 1.00 2.54 H new ATOM 0 HG11 VAL A 107 0.902 8.987 4.204 1.00 61.30 H new ATOM 0 HG12 VAL A 107 -0.519 7.948 4.464 1.00 61.30 H new ATOM 0 HG13 VAL A 107 0.749 7.451 3.319 1.00 61.30 H new ATOM 0 HG21 VAL A 107 1.215 10.172 2.139 1.00 30.31 H new ATOM 0 HG22 VAL A 107 1.012 8.705 1.152 1.00 30.31 H new ATOM 0 HG23 VAL A 107 -0.014 10.128 0.852 1.00 30.31 H new ATOM 1618 N LYS A 108 -3.831 7.900 2.720 1.00 14.14 N ATOM 1619 CA LYS A 108 -4.984 7.265 3.356 1.00 11.13 C ATOM 1620 C LYS A 108 -5.120 5.803 2.909 1.00 61.43 C ATOM 1621 O LYS A 108 -5.420 4.949 3.726 1.00 22.31 O ATOM 1622 CB LYS A 108 -6.251 8.071 3.013 1.00 63.30 C ATOM 1623 CG LYS A 108 -7.442 7.855 3.949 1.00 33.33 C ATOM 1624 CD LYS A 108 -8.337 6.701 3.509 1.00 24.03 C ATOM 1625 CE LYS A 108 -9.566 6.571 4.397 1.00 63.22 C ATOM 1626 NZ LYS A 108 -9.217 6.224 5.800 1.00 53.33 N ATOM 0 H LYS A 108 -4.072 8.743 2.198 1.00 14.14 H new ATOM 0 HA LYS A 108 -4.844 7.259 4.437 1.00 11.13 H new ATOM 0 HB2 LYS A 108 -5.998 9.131 3.014 1.00 63.30 H new ATOM 0 HB3 LYS A 108 -6.558 7.818 1.998 1.00 63.30 H new ATOM 0 HG2 LYS A 108 -7.076 7.661 4.957 1.00 33.33 H new ATOM 0 HG3 LYS A 108 -8.033 8.770 3.995 1.00 33.33 H new ATOM 0 HD2 LYS A 108 -8.649 6.856 2.476 1.00 24.03 H new ATOM 0 HD3 LYS A 108 -7.770 5.771 3.534 1.00 24.03 H new ATOM 0 HE2 LYS A 108 -10.121 7.509 4.385 1.00 63.22 H new ATOM 0 HE3 LYS A 108 -10.226 5.805 3.990 1.00 63.22 H new ATOM 0 HZ1 LYS A 108 -10.087 6.147 6.365 1.00 53.33 H new ATOM 0 HZ2 LYS A 108 -8.711 5.316 5.817 1.00 53.33 H new ATOM 0 HZ3 LYS A 108 -8.609 6.967 6.200 1.00 53.33 H new ATOM 1640 N LYS A 109 -4.859 5.527 1.616 1.00 4.25 N ATOM 1641 CA LYS A 109 -4.879 4.157 1.073 1.00 22.43 C ATOM 1642 C LYS A 109 -3.763 3.296 1.689 1.00 62.12 C ATOM 1643 O LYS A 109 -3.928 2.098 1.866 1.00 44.43 O ATOM 1644 CB LYS A 109 -4.716 4.218 -0.458 1.00 41.13 C ATOM 1645 CG LYS A 109 -4.964 2.901 -1.201 1.00 63.13 C ATOM 1646 CD LYS A 109 -6.444 2.545 -1.267 1.00 13.34 C ATOM 1647 CE LYS A 109 -6.741 1.552 -2.388 1.00 65.00 C ATOM 1648 NZ LYS A 109 -6.390 2.098 -3.734 1.00 22.11 N ATOM 0 H LYS A 109 -4.630 6.242 0.925 1.00 4.25 H new ATOM 0 HA LYS A 109 -5.833 3.695 1.327 1.00 22.43 H new ATOM 0 HB2 LYS A 109 -5.401 4.970 -0.849 1.00 41.13 H new ATOM 0 HB3 LYS A 109 -3.706 4.558 -0.685 1.00 41.13 H new ATOM 0 HG2 LYS A 109 -4.565 2.976 -2.213 1.00 63.13 H new ATOM 0 HG3 LYS A 109 -4.421 2.098 -0.703 1.00 63.13 H new ATOM 0 HD2 LYS A 109 -6.758 2.121 -0.313 1.00 13.34 H new ATOM 0 HD3 LYS A 109 -7.029 3.452 -1.421 1.00 13.34 H new ATOM 0 HE2 LYS A 109 -6.182 0.632 -2.214 1.00 65.00 H new ATOM 0 HE3 LYS A 109 -7.799 1.291 -2.369 1.00 65.00 H new ATOM 0 HZ1 LYS A 109 -6.846 1.524 -4.471 1.00 22.11 H new ATOM 0 HZ2 LYS A 109 -6.721 3.081 -3.807 1.00 22.11 H new ATOM 0 HZ3 LYS A 109 -5.358 2.069 -3.862 1.00 22.11 H new ATOM 1662 N PHE A 110 -2.639 3.929 2.031 1.00 62.24 N ATOM 1663 CA PHE A 110 -1.486 3.233 2.592 1.00 54.35 C ATOM 1664 C PHE A 110 -1.752 2.742 4.003 1.00 70.41 C ATOM 1665 O PHE A 110 -1.675 1.552 4.253 1.00 42.04 O ATOM 1666 CB PHE A 110 -0.265 4.152 2.590 1.00 24.23 C ATOM 1667 CG PHE A 110 1.018 3.468 2.952 1.00 52.41 C ATOM 1668 CD1 PHE A 110 1.635 2.606 2.063 1.00 45.12 C ATOM 1669 CD2 PHE A 110 1.610 3.701 4.175 1.00 30.21 C ATOM 1670 CE1 PHE A 110 2.818 1.985 2.396 1.00 45.32 C ATOM 1671 CE2 PHE A 110 2.785 3.087 4.512 1.00 60.43 C ATOM 1672 CZ PHE A 110 3.391 2.227 3.626 1.00 72.13 C ATOM 0 H PHE A 110 -2.505 4.935 1.926 1.00 62.24 H new ATOM 0 HA PHE A 110 -1.294 2.363 1.965 1.00 54.35 H new ATOM 0 HB2 PHE A 110 -0.160 4.597 1.600 1.00 24.23 H new ATOM 0 HB3 PHE A 110 -0.438 4.969 3.290 1.00 24.23 H new ATOM 0 HD1 PHE A 110 1.185 2.419 1.099 1.00 45.12 H new ATOM 0 HD2 PHE A 110 1.141 4.376 4.875 1.00 30.21 H new ATOM 0 HE1 PHE A 110 3.294 1.312 1.698 1.00 45.32 H new ATOM 0 HE2 PHE A 110 3.237 3.278 5.474 1.00 60.43 H new ATOM 0 HZ PHE A 110 4.317 1.741 3.894 1.00 72.13 H new ATOM 1682 N PHE A 111 -2.069 3.672 4.906 1.00 25.54 N ATOM 1683 CA PHE A 111 -2.203 3.362 6.326 1.00 64.31 C ATOM 1684 C PHE A 111 -3.475 2.578 6.634 1.00 72.42 C ATOM 1685 O PHE A 111 -3.503 1.826 7.597 1.00 25.23 O ATOM 1686 CB PHE A 111 -2.109 4.640 7.165 1.00 42.31 C ATOM 1687 CG PHE A 111 -0.691 5.143 7.325 1.00 30.25 C ATOM 1688 CD1 PHE A 111 -0.108 5.953 6.368 1.00 54.45 C ATOM 1689 CD2 PHE A 111 0.066 4.788 8.427 1.00 14.31 C ATOM 1690 CE1 PHE A 111 1.193 6.400 6.509 1.00 72.24 C ATOM 1691 CE2 PHE A 111 1.366 5.230 8.576 1.00 54.14 C ATOM 1692 CZ PHE A 111 1.930 6.034 7.614 1.00 55.30 C ATOM 0 H PHE A 111 -2.238 4.651 4.675 1.00 25.54 H new ATOM 0 HA PHE A 111 -1.372 2.711 6.599 1.00 64.31 H new ATOM 0 HB2 PHE A 111 -2.714 5.418 6.699 1.00 42.31 H new ATOM 0 HB3 PHE A 111 -2.535 4.452 8.151 1.00 42.31 H new ATOM 0 HD1 PHE A 111 -0.678 6.241 5.497 1.00 54.45 H new ATOM 0 HD2 PHE A 111 -0.368 4.153 9.185 1.00 14.31 H new ATOM 0 HE1 PHE A 111 1.631 7.035 5.754 1.00 72.24 H new ATOM 0 HE2 PHE A 111 1.938 4.945 9.446 1.00 54.14 H new ATOM 0 HZ PHE A 111 2.948 6.378 7.724 1.00 55.30 H new ATOM 1702 N ASP A 112 -4.509 2.740 5.798 1.00 54.32 N ATOM 1703 CA ASP A 112 -5.743 1.952 5.912 1.00 63.22 C ATOM 1704 C ASP A 112 -5.463 0.475 5.669 1.00 12.24 C ATOM 1705 O ASP A 112 -5.853 -0.382 6.462 1.00 41.20 O ATOM 1706 CB ASP A 112 -6.763 2.417 4.880 1.00 0.24 C ATOM 1707 CG ASP A 112 -8.120 2.677 5.476 1.00 32.21 C ATOM 1708 OD1 ASP A 112 -8.234 3.588 6.316 1.00 41.10 O ATOM 1709 OD2 ASP A 112 -9.078 1.986 5.093 1.00 34.21 O ATOM 0 H ASP A 112 -4.515 3.413 5.032 1.00 54.32 H new ATOM 0 HA ASP A 112 -6.134 2.093 6.920 1.00 63.22 H new ATOM 0 HB2 ASP A 112 -6.401 3.327 4.403 1.00 0.24 H new ATOM 0 HB3 ASP A 112 -6.853 1.662 4.099 1.00 0.24 H new ATOM 1714 N LEU A 113 -4.741 0.214 4.580 1.00 24.21 N ATOM 1715 CA LEU A 113 -4.387 -1.138 4.162 1.00 22.54 C ATOM 1716 C LEU A 113 -3.302 -1.738 5.060 1.00 24.21 C ATOM 1717 O LEU A 113 -3.248 -2.948 5.236 1.00 4.53 O ATOM 1718 CB LEU A 113 -3.904 -1.127 2.702 1.00 20.20 C ATOM 1719 CG LEU A 113 -4.952 -1.359 1.602 1.00 71.13 C ATOM 1720 CD1 LEU A 113 -5.554 -2.716 1.786 1.00 11.11 C ATOM 1721 CD2 LEU A 113 -6.047 -0.304 1.590 1.00 75.32 C ATOM 0 H LEU A 113 -4.384 0.941 3.960 1.00 24.21 H new ATOM 0 HA LEU A 113 -5.279 -1.758 4.249 1.00 22.54 H new ATOM 0 HB2 LEU A 113 -3.427 -0.165 2.514 1.00 20.20 H new ATOM 0 HB3 LEU A 113 -3.133 -1.891 2.598 1.00 20.20 H new ATOM 0 HG LEU A 113 -4.442 -1.287 0.641 1.00 71.13 H new ATOM 0 HD11 LEU A 113 -6.300 -2.891 1.010 1.00 11.11 H new ATOM 0 HD12 LEU A 113 -4.773 -3.473 1.716 1.00 11.11 H new ATOM 0 HD13 LEU A 113 -6.029 -2.774 2.765 1.00 11.11 H new ATOM 0 HD21 LEU A 113 -6.755 -0.524 0.791 1.00 75.32 H new ATOM 0 HD22 LEU A 113 -6.567 -0.309 2.548 1.00 75.32 H new ATOM 0 HD23 LEU A 113 -5.604 0.678 1.422 1.00 75.32 H new ATOM 1733 N ALA A 114 -2.449 -0.871 5.611 1.00 44.24 N ATOM 1734 CA ALA A 114 -1.386 -1.269 6.534 1.00 11.04 C ATOM 1735 C ALA A 114 -1.935 -1.795 7.856 1.00 23.13 C ATOM 1736 O ALA A 114 -1.389 -2.729 8.408 1.00 2.22 O ATOM 1737 CB ALA A 114 -0.454 -0.101 6.790 1.00 23.41 C ATOM 0 H ALA A 114 -2.477 0.132 5.428 1.00 44.24 H new ATOM 0 HA ALA A 114 -0.836 -2.083 6.062 1.00 11.04 H new ATOM 0 HB1 ALA A 114 0.334 -0.408 7.478 1.00 23.41 H new ATOM 0 HB2 ALA A 114 -0.008 0.222 5.849 1.00 23.41 H new ATOM 0 HB3 ALA A 114 -1.016 0.724 7.227 1.00 23.41 H new ATOM 1743 N GLN A 115 -3.033 -1.214 8.339 1.00 0.32 N ATOM 1744 CA GLN A 115 -3.666 -1.665 9.585 1.00 60.12 C ATOM 1745 C GLN A 115 -4.379 -3.007 9.408 1.00 0.53 C ATOM 1746 O GLN A 115 -4.451 -3.806 10.344 1.00 54.30 O ATOM 1747 CB GLN A 115 -4.646 -0.609 10.082 1.00 72.31 C ATOM 1748 CG GLN A 115 -3.958 0.630 10.615 1.00 31.51 C ATOM 1749 CD GLN A 115 -4.930 1.746 10.918 1.00 32.11 C ATOM 1750 OE1 GLN A 115 -5.470 1.831 12.013 1.00 32.14 O ATOM 1751 NE2 GLN A 115 -5.142 2.621 9.951 1.00 22.02 N ATOM 0 H GLN A 115 -3.505 -0.430 7.889 1.00 0.32 H new ATOM 0 HA GLN A 115 -2.879 -1.808 10.326 1.00 60.12 H new ATOM 0 HB2 GLN A 115 -5.312 -0.326 9.267 1.00 72.31 H new ATOM 0 HB3 GLN A 115 -5.268 -1.039 10.867 1.00 72.31 H new ATOM 0 HG2 GLN A 115 -3.408 0.375 11.521 1.00 31.51 H new ATOM 0 HG3 GLN A 115 -3.226 0.978 9.886 1.00 31.51 H new ATOM 0 HE21 GLN A 115 -4.671 2.513 9.053 1.00 22.02 H new ATOM 0 HE22 GLN A 115 -5.777 3.405 10.103 1.00 22.02 H new ATOM 1760 N LYS A 116 -4.887 -3.251 8.194 1.00 44.54 N ATOM 1761 CA LYS A 116 -5.480 -4.535 7.840 1.00 73.33 C ATOM 1762 C LYS A 116 -4.403 -5.604 7.641 1.00 32.53 C ATOM 1763 O LYS A 116 -4.686 -6.785 7.727 1.00 71.05 O ATOM 1764 CB LYS A 116 -6.338 -4.429 6.580 1.00 63.33 C ATOM 1765 CG LYS A 116 -7.331 -3.279 6.595 1.00 45.33 C ATOM 1766 CD LYS A 116 -8.448 -3.466 5.575 1.00 53.21 C ATOM 1767 CE LYS A 116 -7.934 -3.714 4.166 1.00 75.50 C ATOM 1768 NZ LYS A 116 -9.037 -3.844 3.177 1.00 63.23 N ATOM 0 H LYS A 116 -4.896 -2.566 7.438 1.00 44.54 H new ATOM 0 HA LYS A 116 -6.121 -4.829 8.671 1.00 73.33 H new ATOM 0 HB2 LYS A 116 -5.682 -4.316 5.716 1.00 63.33 H new ATOM 0 HB3 LYS A 116 -6.884 -5.363 6.446 1.00 63.33 H new ATOM 0 HG2 LYS A 116 -7.763 -3.188 7.591 1.00 45.33 H new ATOM 0 HG3 LYS A 116 -6.806 -2.346 6.389 1.00 45.33 H new ATOM 0 HD2 LYS A 116 -9.074 -4.305 5.880 1.00 53.21 H new ATOM 0 HD3 LYS A 116 -9.082 -2.580 5.573 1.00 53.21 H new ATOM 0 HE2 LYS A 116 -7.279 -2.894 3.871 1.00 75.50 H new ATOM 0 HE3 LYS A 116 -7.331 -4.622 4.156 1.00 75.50 H new ATOM 0 HZ1 LYS A 116 -8.701 -4.379 2.351 1.00 63.23 H new ATOM 0 HZ2 LYS A 116 -9.837 -4.346 3.613 1.00 63.23 H new ATOM 0 HZ3 LYS A 116 -9.346 -2.898 2.875 1.00 63.23 H new ATOM 1782 N ALA A 117 -3.185 -5.182 7.296 1.00 54.34 N ATOM 1783 CA ALA A 117 -2.069 -6.106 7.109 1.00 61.31 C ATOM 1784 C ALA A 117 -1.670 -6.779 8.422 1.00 1.01 C ATOM 1785 O ALA A 117 -1.474 -7.989 8.470 1.00 50.35 O ATOM 1786 CB ALA A 117 -0.883 -5.379 6.505 1.00 73.44 C ATOM 0 H ALA A 117 -2.948 -4.202 7.140 1.00 54.34 H new ATOM 0 HA ALA A 117 -2.394 -6.888 6.423 1.00 61.31 H new ATOM 0 HB1 ALA A 117 -0.058 -6.078 6.370 1.00 73.44 H new ATOM 0 HB2 ALA A 117 -1.166 -4.961 5.539 1.00 73.44 H new ATOM 0 HB3 ALA A 117 -0.572 -4.574 7.171 1.00 73.44 H new ATOM 1792 N LEU A 118 -1.613 -6.002 9.505 1.00 53.34 N ATOM 1793 CA LEU A 118 -1.217 -6.527 10.811 1.00 22.21 C ATOM 1794 C LEU A 118 -2.422 -6.970 11.651 1.00 1.43 C ATOM 1795 O LEU A 118 -2.352 -6.981 12.883 1.00 32.14 O ATOM 1796 CB LEU A 118 -0.380 -5.496 11.586 1.00 20.55 C ATOM 1797 CG LEU A 118 0.970 -5.162 10.965 1.00 24.33 C ATOM 1798 CD1 LEU A 118 0.894 -3.915 10.130 1.00 5.53 C ATOM 1799 CD2 LEU A 118 2.030 -5.013 12.024 1.00 30.51 C ATOM 0 H LEU A 118 -1.836 -5.007 9.503 1.00 53.34 H new ATOM 0 HA LEU A 118 -0.607 -7.410 10.622 1.00 22.21 H new ATOM 0 HB2 LEU A 118 -0.958 -4.576 11.677 1.00 20.55 H new ATOM 0 HB3 LEU A 118 -0.215 -5.870 12.596 1.00 20.55 H new ATOM 0 HG LEU A 118 1.243 -5.993 10.315 1.00 24.33 H new ATOM 0 HD11 LEU A 118 1.874 -3.704 9.701 1.00 5.53 H new ATOM 0 HD12 LEU A 118 0.170 -4.058 9.328 1.00 5.53 H new ATOM 0 HD13 LEU A 118 0.583 -3.077 10.754 1.00 5.53 H new ATOM 0 HD21 LEU A 118 2.984 -4.775 11.553 1.00 30.51 H new ATOM 0 HD22 LEU A 118 1.752 -4.210 12.707 1.00 30.51 H new ATOM 0 HD23 LEU A 118 2.123 -5.946 12.580 1.00 30.51 H new ATOM 1811 N LYS A 119 -3.517 -7.364 10.980 1.00 63.54 N ATOM 1812 CA LYS A 119 -4.701 -7.910 11.659 1.00 11.25 C ATOM 1813 C LYS A 119 -4.395 -9.257 12.335 1.00 61.34 C ATOM 1814 O LYS A 119 -4.991 -9.592 13.354 1.00 63.43 O ATOM 1815 CB LYS A 119 -5.883 -8.080 10.682 1.00 34.34 C ATOM 1816 CG LYS A 119 -5.633 -9.072 9.540 1.00 42.21 C ATOM 1817 CD LYS A 119 -6.895 -9.428 8.759 1.00 44.02 C ATOM 1818 CE LYS A 119 -7.596 -8.202 8.182 1.00 32.33 C ATOM 1819 NZ LYS A 119 -8.755 -8.574 7.335 1.00 63.31 N ATOM 0 H LYS A 119 -3.605 -7.314 9.965 1.00 63.54 H new ATOM 0 HA LYS A 119 -4.980 -7.189 12.428 1.00 11.25 H new ATOM 0 HB2 LYS A 119 -6.757 -8.407 11.245 1.00 34.34 H new ATOM 0 HB3 LYS A 119 -6.125 -7.107 10.254 1.00 34.34 H new ATOM 0 HG2 LYS A 119 -4.898 -8.649 8.855 1.00 42.21 H new ATOM 0 HG3 LYS A 119 -5.199 -9.984 9.949 1.00 42.21 H new ATOM 0 HD2 LYS A 119 -6.636 -10.108 7.948 1.00 44.02 H new ATOM 0 HD3 LYS A 119 -7.584 -9.961 9.414 1.00 44.02 H new ATOM 0 HE2 LYS A 119 -7.933 -7.560 8.996 1.00 32.33 H new ATOM 0 HE3 LYS A 119 -6.886 -7.623 7.592 1.00 32.33 H new ATOM 0 HZ1 LYS A 119 -9.203 -7.713 6.962 1.00 63.31 H new ATOM 0 HZ2 LYS A 119 -8.431 -9.166 6.544 1.00 63.31 H new ATOM 0 HZ3 LYS A 119 -9.445 -9.105 7.904 1.00 63.31 H new ATOM 1833 N ASP A 120 -3.479 -10.027 11.750 1.00 43.25 N ATOM 1834 CA ASP A 120 -3.069 -11.296 12.323 1.00 2.32 C ATOM 1835 C ASP A 120 -1.762 -11.146 13.082 1.00 14.42 C ATOM 1836 O ASP A 120 -1.582 -11.751 14.132 1.00 64.42 O ATOM 1837 CB ASP A 120 -2.882 -12.354 11.233 1.00 71.33 C ATOM 1838 CG ASP A 120 -4.150 -12.688 10.473 1.00 25.12 C ATOM 1839 OD1 ASP A 120 -4.941 -13.510 10.964 1.00 34.42 O ATOM 1840 OD2 ASP A 120 -4.346 -12.141 9.371 1.00 13.52 O ATOM 0 H ASP A 120 -3.009 -9.788 10.877 1.00 43.25 H new ATOM 0 HA ASP A 120 -3.857 -11.613 13.006 1.00 2.32 H new ATOM 0 HB2 ASP A 120 -2.129 -12.004 10.527 1.00 71.33 H new ATOM 0 HB3 ASP A 120 -2.493 -13.265 11.688 1.00 71.33 H new ATOM 1845 N ALA A 121 -0.877 -10.286 12.533 1.00 3.12 N ATOM 1846 CA ALA A 121 0.555 -10.171 12.916 1.00 52.10 C ATOM 1847 C ALA A 121 1.296 -11.528 12.979 1.00 60.34 C ATOM 1848 O ALA A 121 2.295 -11.677 13.691 1.00 75.53 O ATOM 1849 CB ALA A 121 0.709 -9.394 14.220 1.00 50.11 C ATOM 0 H ALA A 121 -1.141 -9.635 11.793 1.00 3.12 H new ATOM 0 HA ALA A 121 1.037 -9.612 12.114 1.00 52.10 H new ATOM 0 HB1 ALA A 121 1.765 -9.323 14.479 1.00 50.11 H new ATOM 0 HB2 ALA A 121 0.298 -8.392 14.097 1.00 50.11 H new ATOM 0 HB3 ALA A 121 0.174 -9.911 15.017 1.00 50.11 H new ATOM 1855 N GLU A 122 0.818 -12.498 12.190 1.00 21.33 N ATOM 1856 CA GLU A 122 1.419 -13.830 12.097 1.00 4.14 C ATOM 1857 C GLU A 122 1.438 -14.296 10.639 1.00 2.33 C ATOM 1858 O GLU A 122 1.655 -15.473 10.348 1.00 44.24 O ATOM 1859 CB GLU A 122 0.637 -14.842 12.951 1.00 14.23 C ATOM 1860 CG GLU A 122 0.678 -14.568 14.448 1.00 41.22 C ATOM 1861 CD GLU A 122 -0.011 -15.632 15.262 1.00 13.01 C ATOM 1862 OE1 GLU A 122 -1.244 -15.578 15.408 1.00 72.03 O ATOM 1863 OE2 GLU A 122 0.687 -16.527 15.778 1.00 72.51 O ATOM 0 H GLU A 122 -0.002 -12.378 11.595 1.00 21.33 H new ATOM 0 HA GLU A 122 2.440 -13.770 12.473 1.00 4.14 H new ATOM 0 HB2 GLU A 122 -0.403 -14.848 12.624 1.00 14.23 H new ATOM 0 HB3 GLU A 122 1.035 -15.840 12.766 1.00 14.23 H new ATOM 0 HG2 GLU A 122 1.717 -14.489 14.769 1.00 41.22 H new ATOM 0 HG3 GLU A 122 0.209 -13.605 14.648 1.00 41.22 H new ATOM 1870 N LYS A 123 1.227 -13.347 9.724 1.00 52.51 N ATOM 1871 CA LYS A 123 1.136 -13.629 8.290 1.00 72.03 C ATOM 1872 C LYS A 123 2.533 -13.760 7.691 1.00 65.41 C ATOM 1873 O LYS A 123 3.473 -13.153 8.192 1.00 45.32 O ATOM 1874 CB LYS A 123 0.380 -12.502 7.583 1.00 63.11 C ATOM 1875 CG LYS A 123 -0.913 -12.094 8.278 1.00 73.14 C ATOM 1876 CD LYS A 123 -1.707 -11.046 7.506 1.00 30.21 C ATOM 1877 CE LYS A 123 -2.410 -11.630 6.287 1.00 43.34 C ATOM 1878 NZ LYS A 123 -3.349 -12.725 6.647 1.00 24.13 N ATOM 0 H LYS A 123 1.114 -12.360 9.957 1.00 52.51 H new ATOM 0 HA LYS A 123 0.598 -14.567 8.151 1.00 72.03 H new ATOM 0 HB2 LYS A 123 1.032 -11.631 7.509 1.00 63.11 H new ATOM 0 HB3 LYS A 123 0.150 -12.815 6.565 1.00 63.11 H new ATOM 0 HG2 LYS A 123 -1.535 -12.978 8.422 1.00 73.14 H new ATOM 0 HG3 LYS A 123 -0.678 -11.705 9.269 1.00 73.14 H new ATOM 0 HD2 LYS A 123 -2.447 -10.595 8.167 1.00 30.21 H new ATOM 0 HD3 LYS A 123 -1.036 -10.248 7.187 1.00 30.21 H new ATOM 0 HE2 LYS A 123 -2.957 -10.840 5.773 1.00 43.34 H new ATOM 0 HE3 LYS A 123 -1.665 -12.009 5.588 1.00 43.34 H new ATOM 0 HZ1 LYS A 123 -4.133 -12.749 5.964 1.00 24.13 H new ATOM 0 HZ2 LYS A 123 -2.845 -13.635 6.628 1.00 24.13 H new ATOM 0 HZ3 LYS A 123 -3.727 -12.559 7.602 1.00 24.13 H new ATOM 1892 N LEU A 124 2.668 -14.553 6.631 1.00 12.40 N ATOM 1893 CA LEU A 124 3.963 -14.767 5.990 1.00 50.20 C ATOM 1894 C LEU A 124 3.786 -15.094 4.508 1.00 54.41 C ATOM 1895 O LEU A 124 3.398 -16.206 4.150 1.00 1.23 O ATOM 1896 CB LEU A 124 4.732 -15.895 6.707 1.00 62.14 C ATOM 1897 CG LEU A 124 6.138 -16.211 6.178 1.00 10.15 C ATOM 1898 CD1 LEU A 124 7.092 -15.047 6.413 1.00 14.34 C ATOM 1899 CD2 LEU A 124 6.666 -17.478 6.833 1.00 2.02 C ATOM 0 H LEU A 124 1.896 -15.059 6.197 1.00 12.40 H new ATOM 0 HA LEU A 124 4.543 -13.847 6.066 1.00 50.20 H new ATOM 0 HB2 LEU A 124 4.815 -15.634 7.762 1.00 62.14 H new ATOM 0 HB3 LEU A 124 4.134 -16.805 6.650 1.00 62.14 H new ATOM 0 HG LEU A 124 6.071 -16.370 5.102 1.00 10.15 H new ATOM 0 HD11 LEU A 124 8.079 -15.302 6.027 1.00 14.34 H new ATOM 0 HD12 LEU A 124 6.719 -14.161 5.899 1.00 14.34 H new ATOM 0 HD13 LEU A 124 7.161 -14.844 7.482 1.00 14.34 H new ATOM 0 HD21 LEU A 124 7.664 -17.696 6.452 1.00 2.02 H new ATOM 0 HD22 LEU A 124 6.712 -17.337 7.913 1.00 2.02 H new ATOM 0 HD23 LEU A 124 6.001 -18.310 6.604 1.00 2.02 H new ATOM 1911 N GLU A 125 4.049 -14.111 3.653 1.00 24.00 N ATOM 1912 CA GLU A 125 4.011 -14.328 2.207 1.00 62.21 C ATOM 1913 C GLU A 125 5.393 -14.717 1.707 1.00 52.34 C ATOM 1914 O GLU A 125 5.626 -15.870 1.353 1.00 70.43 O ATOM 1915 CB GLU A 125 3.517 -13.085 1.456 1.00 51.33 C ATOM 1916 CG GLU A 125 2.136 -12.606 1.870 1.00 11.01 C ATOM 1917 CD GLU A 125 1.068 -13.675 1.746 1.00 43.42 C ATOM 1918 OE1 GLU A 125 0.579 -13.914 0.629 1.00 11.43 O ATOM 1919 OE2 GLU A 125 0.709 -14.278 2.776 1.00 40.15 O ATOM 0 H GLU A 125 4.290 -13.160 3.932 1.00 24.00 H new ATOM 0 HA GLU A 125 3.306 -15.136 2.011 1.00 62.21 H new ATOM 0 HB2 GLU A 125 4.230 -12.275 1.611 1.00 51.33 H new ATOM 0 HB3 GLU A 125 3.507 -13.301 0.388 1.00 51.33 H new ATOM 0 HG2 GLU A 125 2.174 -12.258 2.902 1.00 11.01 H new ATOM 0 HG3 GLU A 125 1.857 -11.750 1.256 1.00 11.01 H new ATOM 1926 N HIS A 126 6.303 -13.745 1.702 1.00 10.31 N ATOM 1927 CA HIS A 126 7.680 -13.949 1.279 1.00 40.20 C ATOM 1928 C HIS A 126 8.491 -12.737 1.700 1.00 33.34 C ATOM 1929 O HIS A 126 8.266 -11.639 1.186 1.00 44.23 O ATOM 1930 CB HIS A 126 7.769 -14.133 -0.248 1.00 12.45 C ATOM 1931 CG HIS A 126 9.053 -14.742 -0.722 1.00 35.31 C ATOM 1932 ND1 HIS A 126 9.186 -16.081 -0.997 1.00 45.32 N ATOM 1933 CD2 HIS A 126 10.258 -14.184 -0.999 1.00 3.11 C ATOM 1934 CE1 HIS A 126 10.408 -16.325 -1.422 1.00 41.41 C ATOM 1935 NE2 HIS A 126 11.081 -15.192 -1.434 1.00 11.21 N ATOM 0 H HIS A 126 6.101 -12.789 1.994 1.00 10.31 H new ATOM 0 HA HIS A 126 8.071 -14.853 1.746 1.00 40.20 H new ATOM 0 HB2 HIS A 126 6.940 -14.761 -0.575 1.00 12.45 H new ATOM 0 HB3 HIS A 126 7.642 -13.162 -0.727 1.00 12.45 H new ATOM 0 HD2 HIS A 126 10.520 -13.141 -0.896 1.00 3.11 H new ATOM 0 HE1 HIS A 126 10.794 -17.291 -1.712 1.00 41.41 H new ATOM 0 HE2 HIS A 126 12.054 -15.082 -1.720 1.00 11.21 H new ATOM 1944 N HIS A 127 9.417 -12.931 2.636 1.00 21.32 N ATOM 1945 CA HIS A 127 10.232 -11.821 3.118 1.00 34.21 C ATOM 1946 C HIS A 127 11.294 -11.414 2.102 1.00 41.41 C ATOM 1947 O HIS A 127 11.990 -12.252 1.516 1.00 34.10 O ATOM 1948 CB HIS A 127 10.846 -12.054 4.528 1.00 12.43 C ATOM 1949 CG HIS A 127 11.474 -13.388 4.818 1.00 61.11 C ATOM 1950 ND1 HIS A 127 12.462 -13.958 4.047 1.00 4.34 N ATOM 1951 CD2 HIS A 127 11.250 -14.256 5.835 1.00 14.31 C ATOM 1952 CE1 HIS A 127 12.819 -15.111 4.576 1.00 34.13 C ATOM 1953 NE2 HIS A 127 12.103 -15.315 5.659 1.00 63.22 N ATOM 0 H HIS A 127 9.619 -13.832 3.070 1.00 21.32 H new ATOM 0 HA HIS A 127 9.541 -10.986 3.235 1.00 34.21 H new ATOM 0 HB2 HIS A 127 11.603 -11.287 4.692 1.00 12.43 H new ATOM 0 HB3 HIS A 127 10.060 -11.889 5.265 1.00 12.43 H new ATOM 0 HD1 HIS A 127 12.856 -13.551 3.199 1.00 4.34 H new ATOM 0 HD2 HIS A 127 10.534 -14.136 6.634 1.00 14.31 H new ATOM 0 HE1 HIS A 127 13.574 -15.777 4.185 1.00 34.13 H new ATOM 1962 N HIS A 128 11.375 -10.108 1.888 1.00 50.41 N ATOM 1963 CA HIS A 128 12.296 -9.506 0.938 1.00 42.33 C ATOM 1964 C HIS A 128 13.657 -9.269 1.595 1.00 51.03 C ATOM 1965 O HIS A 128 13.803 -9.384 2.821 1.00 64.25 O ATOM 1966 CB HIS A 128 11.732 -8.167 0.417 1.00 23.20 C ATOM 1967 CG HIS A 128 10.468 -8.273 -0.399 1.00 14.32 C ATOM 1968 ND1 HIS A 128 10.466 -8.389 -1.770 1.00 64.02 N ATOM 1969 CD2 HIS A 128 9.161 -8.251 -0.029 1.00 31.21 C ATOM 1970 CE1 HIS A 128 9.221 -8.425 -2.209 1.00 13.24 C ATOM 1971 NE2 HIS A 128 8.407 -8.344 -1.175 1.00 24.02 N ATOM 0 H HIS A 128 10.793 -9.428 2.378 1.00 50.41 H new ATOM 0 HA HIS A 128 12.419 -10.191 0.099 1.00 42.33 H new ATOM 0 HB2 HIS A 128 11.540 -7.516 1.270 1.00 23.20 H new ATOM 0 HB3 HIS A 128 12.496 -7.681 -0.189 1.00 23.20 H new ATOM 0 HD2 HIS A 128 8.784 -8.175 0.980 1.00 31.21 H new ATOM 0 HE1 HIS A 128 8.920 -8.507 -3.243 1.00 13.24 H new ATOM 0 HE2 HIS A 128 7.388 -8.349 -1.218 1.00 24.02 H new ATOM 1980 N HIS A 129 14.644 -8.913 0.775 1.00 32.53 N ATOM 1981 CA HIS A 129 16.001 -8.628 1.253 1.00 22.33 C ATOM 1982 C HIS A 129 16.210 -7.130 1.489 1.00 23.02 C ATOM 1983 O HIS A 129 17.346 -6.652 1.547 1.00 11.33 O ATOM 1984 CB HIS A 129 17.045 -9.142 0.251 1.00 54.13 C ATOM 1985 CG HIS A 129 17.252 -10.628 0.265 1.00 11.15 C ATOM 1986 ND1 HIS A 129 18.249 -11.236 0.985 1.00 22.40 N ATOM 1987 CD2 HIS A 129 16.595 -11.624 -0.373 1.00 21.11 C ATOM 1988 CE1 HIS A 129 18.197 -12.540 0.800 1.00 10.02 C ATOM 1989 NE2 HIS A 129 17.200 -12.804 -0.018 1.00 22.11 N ATOM 0 H HIS A 129 14.530 -8.814 -0.234 1.00 32.53 H new ATOM 0 HA HIS A 129 16.127 -9.146 2.204 1.00 22.33 H new ATOM 0 HB2 HIS A 129 16.744 -8.841 -0.752 1.00 54.13 H new ATOM 0 HB3 HIS A 129 17.998 -8.655 0.458 1.00 54.13 H new ATOM 0 HD2 HIS A 129 15.751 -11.512 -1.038 1.00 21.11 H new ATOM 0 HE1 HIS A 129 18.860 -13.268 1.244 1.00 10.02 H new ATOM 0 HE2 HIS A 129 16.923 -13.733 -0.336 1.00 22.11 H new ATOM 1998 N HIS A 130 15.105 -6.402 1.648 1.00 10.22 N ATOM 1999 CA HIS A 130 15.132 -4.968 1.907 1.00 62.15 C ATOM 2000 C HIS A 130 15.555 -4.722 3.358 1.00 62.24 C ATOM 2001 O HIS A 130 15.002 -5.326 4.284 1.00 73.45 O ATOM 2002 CB HIS A 130 13.742 -4.374 1.614 1.00 40.53 C ATOM 2003 CG HIS A 130 13.649 -2.866 1.581 1.00 30.43 C ATOM 2004 ND1 HIS A 130 13.494 -2.152 0.413 1.00 60.11 N ATOM 2005 CD2 HIS A 130 13.615 -1.947 2.581 1.00 71.25 C ATOM 2006 CE1 HIS A 130 13.362 -0.869 0.698 1.00 71.51 C ATOM 2007 NE2 HIS A 130 13.432 -0.720 2.004 1.00 35.14 N ATOM 0 H HIS A 130 14.165 -6.794 1.600 1.00 10.22 H new ATOM 0 HA HIS A 130 15.856 -4.477 1.257 1.00 62.15 H new ATOM 0 HB2 HIS A 130 13.402 -4.758 0.652 1.00 40.53 H new ATOM 0 HB3 HIS A 130 13.047 -4.743 2.368 1.00 40.53 H new ATOM 0 HD2 HIS A 130 13.714 -2.148 3.637 1.00 71.25 H new ATOM 0 HE1 HIS A 130 13.220 -0.075 -0.020 1.00 71.51 H new ATOM 0 HE2 HIS A 130 13.361 0.166 2.504 1.00 35.14 H new ATOM 2016 N HIS A 131 16.533 -3.824 3.512 1.00 35.42 N ATOM 2017 CA HIS A 131 17.182 -3.518 4.794 1.00 4.53 C ATOM 2018 C HIS A 131 16.186 -2.957 5.815 1.00 33.42 C ATOM 2019 O HIS A 131 16.266 -3.273 7.005 1.00 52.41 O ATOM 2020 CB HIS A 131 18.326 -2.514 4.532 1.00 13.31 C ATOM 2021 CG HIS A 131 19.310 -2.349 5.654 1.00 52.44 C ATOM 2022 ND1 HIS A 131 20.438 -3.122 5.782 1.00 42.22 N ATOM 2023 CD2 HIS A 131 19.353 -1.457 6.673 1.00 20.05 C ATOM 2024 CE1 HIS A 131 21.129 -2.720 6.831 1.00 22.14 C ATOM 2025 NE2 HIS A 131 20.493 -1.714 7.391 1.00 0.13 N ATOM 0 H HIS A 131 16.904 -3.278 2.735 1.00 35.42 H new ATOM 0 HA HIS A 131 17.581 -4.437 5.222 1.00 4.53 H new ATOM 0 HB2 HIS A 131 18.867 -2.831 3.641 1.00 13.31 H new ATOM 0 HB3 HIS A 131 17.888 -1.541 4.310 1.00 13.31 H new ATOM 0 HD2 HIS A 131 18.625 -0.687 6.881 1.00 20.05 H new ATOM 0 HE1 HIS A 131 22.061 -3.146 7.173 1.00 22.14 H new ATOM 0 HE2 HIS A 131 20.798 -1.208 8.223 1.00 0.13 H new TER 2034 HIS A 131