USER MOD reduce.3.24.130724 H: found=0, std=0, add=987, rem=0, adj=34 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 78 TYR OH : rot 180:sc= -0.479 USER MOD Set 1.2: A 82 LYS NZ :NH3+ -135:sc= 0.144 (180deg=-0.0497) USER MOD Set 2.1: A 71 GLN : amide:sc= -0.174 X(o=-0.13,f=-0.069) USER MOD Set 2.2: A 104 THR OG1 : rot 180:sc= 0.0427 USER MOD Set 3.1: A 47 LYS NZ :NH3+ 164:sc= 0.34 (180deg=0.0285) USER MOD Set 3.2: A 56 TYR OH : rot -63:sc= 0.418 USER MOD Set 4.1: A 33 SER OG : rot -110:sc=-0.00187 USER MOD Set 4.2: A 131 HIS : no HD1:sc= 0 X(o=-0.0019,f=-0.0019) USER MOD Set 5.1: A 21 THR OG1 : rot 157:sc= -1.47! USER MOD Set 5.2: A 37 ASN : amide:sc= -0.465 K(o=-1.9,f=-5.5!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -121:sc= 1.42 (180deg=-0.367) USER MOD Single : A 2 LYS NZ :NH3+ -144:sc= 0.246 (180deg=-1.06) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.0394 USER MOD Single : A 6 TYR OH : rot -2:sc= 0.452 USER MOD Single : A 7 TYR OH : rot 142:sc= 0.179 USER MOD Single : A 16 SER OG : rot -48:sc= -1.11! USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -1.3 K(o=-1.3,f=-0.39) USER MOD Single : A 30 LYS NZ :NH3+ 174:sc=-0.00536 (180deg=-0.0544) USER MOD Single : A 40 ASN : amide:sc= 1.16 K(o=1.2,f=-5.4!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.04 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.0553 K(o=-0.055,f=-0.89) USER MOD Single : A 57 LYS NZ :NH3+ 167:sc= -0.0267 (180deg=-0.219) USER MOD Single : A 58 MET CE :methyl -116:sc= -0.562 (180deg=-1.43) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0.117 X(o=0.12,f=-0.18) USER MOD Single : A 69 HIS : no HD1:sc= -0.0356 K(o=-0.036,f=-0.81) USER MOD Single : A 74 LYS NZ :NH3+ -110:sc= -0.0602 (180deg=-1.67!) USER MOD Single : A 83 GLN : amide:sc= -0.455! C(o=-0.45!,f=-3.1!) USER MOD Single : A 86 THR OG1 : rot -34:sc= 0.416 USER MOD Single : A 89 LYS NZ :NH3+ -172:sc=-0.00398 (180deg=-0.0727) USER MOD Single : A 90 TYR OH : rot -38:sc= -0.74 USER MOD Single : A 91 LYS NZ :NH3+ 162:sc= 0.8 (180deg=0.624) USER MOD Single : A 93 ASN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 96 HIS : no HE2:sc= 0.941 K(o=0.94,f=-2.9!) USER MOD Single : A 97 THR OG1 : rot 71:sc= 0.724 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ -157:sc= -0.118 (180deg=-0.687) USER MOD Single : A 108 LYS NZ :NH3+ -157:sc= 0.71 (180deg=0.422) USER MOD Single : A 109 LYS NZ :NH3+ 170:sc= 2.18 (180deg=1.6) USER MOD Single : A 115 GLN : amide:sc= -0.229 X(o=-0.23,f=-0.6) USER MOD Single : A 116 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0423) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 LYS NZ :NH3+ -144:sc= 0.657 (180deg=-1.68!) USER MOD Single : A 126 HIS : no HD1:sc= -0.725 K(o=-0.72,f=-0.096) USER MOD Single : A 127 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 128 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 129 HIS : no HD1:sc=-0.00536 X(o=-0.0054,f=0) USER MOD Single : A 130 HIS : no HE2:sc= 0.171 K(o=0.17,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.832 -7.780 16.522 1.00 63.33 N ATOM 2 CA MET A 1 3.906 -8.818 15.480 1.00 13.33 C ATOM 3 C MET A 1 5.220 -9.566 15.555 1.00 54.40 C ATOM 4 O MET A 1 6.116 -9.207 16.320 1.00 53.25 O ATOM 5 CB MET A 1 3.692 -8.246 14.064 1.00 53.55 C ATOM 6 CG MET A 1 4.582 -7.077 13.683 1.00 13.03 C ATOM 7 SD MET A 1 3.990 -5.516 14.351 1.00 21.52 S ATOM 8 CE MET A 1 5.055 -4.387 13.480 1.00 12.42 C ATOM 0 H1 MET A 1 3.009 -7.959 17.132 1.00 63.33 H new ATOM 0 H2 MET A 1 4.700 -7.801 17.095 1.00 63.33 H new ATOM 0 H3 MET A 1 3.735 -6.846 16.075 1.00 63.33 H new ATOM 0 HA MET A 1 3.091 -9.516 15.673 1.00 13.33 H new ATOM 0 HB2 MET A 1 3.847 -9.047 13.342 1.00 53.55 H new ATOM 0 HB3 MET A 1 2.652 -7.932 13.973 1.00 53.55 H new ATOM 0 HG2 MET A 1 5.594 -7.262 14.043 1.00 13.03 H new ATOM 0 HG3 MET A 1 4.638 -7.006 12.597 1.00 13.03 H new ATOM 0 HE1 MET A 1 4.822 -3.364 13.777 1.00 12.42 H new ATOM 0 HE2 MET A 1 6.095 -4.607 13.722 1.00 12.42 H new ATOM 0 HE3 MET A 1 4.901 -4.497 12.406 1.00 12.42 H new ATOM 20 N LYS A 2 5.315 -10.613 14.757 1.00 0.13 N ATOM 21 CA LYS A 2 6.467 -11.482 14.743 1.00 2.22 C ATOM 22 C LYS A 2 7.091 -11.435 13.355 1.00 13.43 C ATOM 23 O LYS A 2 6.438 -10.989 12.417 1.00 34.01 O ATOM 24 CB LYS A 2 6.015 -12.895 15.113 1.00 52.24 C ATOM 25 CG LYS A 2 6.737 -13.486 16.322 1.00 5.42 C ATOM 26 CD LYS A 2 8.107 -14.042 15.956 1.00 73.25 C ATOM 27 CE LYS A 2 7.983 -15.186 14.961 1.00 12.15 C ATOM 28 NZ LYS A 2 9.297 -15.750 14.581 1.00 13.25 N ATOM 0 H LYS A 2 4.586 -10.883 14.096 1.00 0.13 H new ATOM 0 HA LYS A 2 7.217 -11.163 15.467 1.00 2.22 H new ATOM 0 HB2 LYS A 2 4.944 -12.881 15.315 1.00 52.24 H new ATOM 0 HB3 LYS A 2 6.169 -13.550 14.256 1.00 52.24 H new ATOM 0 HG2 LYS A 2 6.851 -12.718 17.087 1.00 5.42 H new ATOM 0 HG3 LYS A 2 6.128 -14.280 16.755 1.00 5.42 H new ATOM 0 HD2 LYS A 2 8.723 -13.250 15.530 1.00 73.25 H new ATOM 0 HD3 LYS A 2 8.614 -14.391 16.856 1.00 73.25 H new ATOM 0 HE2 LYS A 2 7.364 -15.973 15.392 1.00 12.15 H new ATOM 0 HE3 LYS A 2 7.471 -14.832 14.067 1.00 12.15 H new ATOM 0 HZ1 LYS A 2 9.279 -16.027 13.579 1.00 13.25 H new ATOM 0 HZ2 LYS A 2 10.038 -15.035 14.729 1.00 13.25 H new ATOM 0 HZ3 LYS A 2 9.499 -16.585 15.168 1.00 13.25 H new ATOM 42 N ASP A 3 8.340 -11.874 13.221 1.00 34.44 N ATOM 43 CA ASP A 3 9.047 -11.806 11.942 1.00 12.03 C ATOM 44 C ASP A 3 8.433 -12.719 10.883 1.00 40.43 C ATOM 45 O ASP A 3 8.212 -13.915 11.097 1.00 34.41 O ATOM 46 CB ASP A 3 10.548 -12.083 12.104 1.00 4.53 C ATOM 47 CG ASP A 3 10.876 -13.326 12.904 1.00 24.33 C ATOM 48 OD1 ASP A 3 10.982 -13.222 14.145 1.00 43.40 O ATOM 49 OD2 ASP A 3 11.034 -14.407 12.302 1.00 2.14 O ATOM 0 H ASP A 3 8.885 -12.281 13.982 1.00 34.44 H new ATOM 0 HA ASP A 3 8.932 -10.782 11.587 1.00 12.03 H new ATOM 0 HB2 ASP A 3 10.996 -12.175 11.115 1.00 4.53 H new ATOM 0 HB3 ASP A 3 11.013 -11.223 12.586 1.00 4.53 H new ATOM 54 N GLY A 4 8.116 -12.100 9.759 1.00 0.43 N ATOM 55 CA GLY A 4 7.544 -12.792 8.634 1.00 30.24 C ATOM 56 C GLY A 4 7.178 -11.845 7.517 1.00 50.42 C ATOM 57 O GLY A 4 7.907 -10.895 7.232 1.00 24.13 O ATOM 0 H GLY A 4 8.251 -11.100 9.608 1.00 0.43 H new ATOM 0 HA2 GLY A 4 8.253 -13.532 8.264 1.00 30.24 H new ATOM 0 HA3 GLY A 4 6.655 -13.335 8.955 1.00 30.24 H new ATOM 61 N THR A 5 6.061 -12.111 6.867 1.00 0.10 N ATOM 62 CA THR A 5 5.587 -11.276 5.775 1.00 32.32 C ATOM 63 C THR A 5 4.068 -11.150 5.871 1.00 11.24 C ATOM 64 O THR A 5 3.362 -12.140 5.837 1.00 20.34 O ATOM 65 CB THR A 5 6.011 -11.863 4.400 1.00 44.14 C ATOM 66 OG1 THR A 5 7.436 -12.032 4.354 1.00 1.42 O ATOM 67 CG2 THR A 5 5.598 -10.962 3.253 1.00 2.34 C ATOM 0 H THR A 5 5.458 -12.907 7.078 1.00 0.10 H new ATOM 0 HA THR A 5 6.037 -10.287 5.856 1.00 32.32 H new ATOM 0 HB THR A 5 5.508 -12.824 4.292 1.00 44.14 H new ATOM 0 HG1 THR A 5 7.693 -12.404 3.485 1.00 1.42 H new ATOM 0 HG21 THR A 5 5.912 -11.407 2.309 1.00 2.34 H new ATOM 0 HG22 THR A 5 4.514 -10.844 3.255 1.00 2.34 H new ATOM 0 HG23 THR A 5 6.070 -9.986 3.369 1.00 2.34 H new ATOM 75 N TYR A 6 3.589 -9.930 6.027 1.00 73.12 N ATOM 76 CA TYR A 6 2.174 -9.676 6.278 1.00 40.25 C ATOM 77 C TYR A 6 1.583 -8.883 5.127 1.00 54.53 C ATOM 78 O TYR A 6 1.854 -7.705 5.000 1.00 43.42 O ATOM 79 CB TYR A 6 2.009 -8.863 7.581 1.00 61.45 C ATOM 80 CG TYR A 6 2.418 -9.569 8.858 1.00 61.43 C ATOM 81 CD1 TYR A 6 3.749 -9.834 9.155 1.00 43.21 C ATOM 82 CD2 TYR A 6 1.461 -9.965 9.769 1.00 11.44 C ATOM 83 CE1 TYR A 6 4.105 -10.477 10.316 1.00 25.01 C ATOM 84 CE2 TYR A 6 1.809 -10.607 10.931 1.00 2.50 C ATOM 85 CZ TYR A 6 3.130 -10.864 11.202 1.00 43.44 C ATOM 86 OH TYR A 6 3.475 -11.509 12.365 1.00 14.42 O ATOM 0 H TYR A 6 4.163 -9.088 5.984 1.00 73.12 H new ATOM 0 HA TYR A 6 1.657 -10.631 6.373 1.00 40.25 H new ATOM 0 HB2 TYR A 6 2.594 -7.947 7.492 1.00 61.45 H new ATOM 0 HB3 TYR A 6 0.964 -8.566 7.671 1.00 61.45 H new ATOM 0 HD1 TYR A 6 4.518 -9.529 8.461 1.00 43.21 H new ATOM 0 HD2 TYR A 6 0.419 -9.766 9.564 1.00 11.44 H new ATOM 0 HE1 TYR A 6 5.145 -10.677 10.530 1.00 25.01 H new ATOM 0 HE2 TYR A 6 1.045 -10.910 11.631 1.00 2.50 H new ATOM 0 HH TYR A 6 4.446 -11.642 12.390 1.00 14.42 H new ATOM 96 N TYR A 7 0.760 -9.500 4.299 1.00 33.22 N ATOM 97 CA TYR A 7 0.194 -8.780 3.166 1.00 21.43 C ATOM 98 C TYR A 7 -1.333 -8.693 3.293 1.00 70.44 C ATOM 99 O TYR A 7 -1.982 -9.615 3.782 1.00 21.44 O ATOM 100 CB TYR A 7 0.653 -9.421 1.821 1.00 33.45 C ATOM 101 CG TYR A 7 -0.405 -10.190 1.046 1.00 13.02 C ATOM 102 CD1 TYR A 7 -0.643 -11.532 1.305 1.00 13.01 C ATOM 103 CD2 TYR A 7 -1.178 -9.557 0.077 1.00 11.05 C ATOM 104 CE1 TYR A 7 -1.623 -12.223 0.624 1.00 73.02 C ATOM 105 CE2 TYR A 7 -2.163 -10.234 -0.601 1.00 0.44 C ATOM 106 CZ TYR A 7 -2.382 -11.571 -0.327 1.00 5.43 C ATOM 107 OH TYR A 7 -3.366 -12.257 -0.997 1.00 63.21 O ATOM 0 H TYR A 7 0.472 -10.475 4.383 1.00 33.22 H new ATOM 0 HA TYR A 7 0.570 -7.757 3.169 1.00 21.43 H new ATOM 0 HB2 TYR A 7 1.040 -8.629 1.179 1.00 33.45 H new ATOM 0 HB3 TYR A 7 1.483 -10.096 2.029 1.00 33.45 H new ATOM 0 HD1 TYR A 7 -0.052 -12.043 2.051 1.00 13.01 H new ATOM 0 HD2 TYR A 7 -1.001 -8.515 -0.146 1.00 11.05 H new ATOM 0 HE1 TYR A 7 -1.796 -13.268 0.833 1.00 73.02 H new ATOM 0 HE2 TYR A 7 -2.761 -9.725 -1.342 1.00 0.44 H new ATOM 0 HH TYR A 7 -4.144 -11.674 -1.123 1.00 63.21 H new ATOM 117 N ALA A 8 -1.894 -7.579 2.851 1.00 62.21 N ATOM 118 CA ALA A 8 -3.338 -7.416 2.793 1.00 51.32 C ATOM 119 C ALA A 8 -3.724 -6.779 1.476 1.00 22.11 C ATOM 120 O ALA A 8 -2.966 -5.985 0.931 1.00 44.42 O ATOM 121 CB ALA A 8 -3.837 -6.569 3.949 1.00 12.24 C ATOM 0 H ALA A 8 -1.367 -6.769 2.525 1.00 62.21 H new ATOM 0 HA ALA A 8 -3.802 -8.399 2.871 1.00 51.32 H new ATOM 0 HB1 ALA A 8 -4.920 -6.463 3.882 1.00 12.24 H new ATOM 0 HB2 ALA A 8 -3.578 -7.051 4.892 1.00 12.24 H new ATOM 0 HB3 ALA A 8 -3.373 -5.584 3.905 1.00 12.24 H new ATOM 127 N GLU A 9 -4.897 -7.126 0.978 1.00 42.31 N ATOM 128 CA GLU A 9 -5.406 -6.555 -0.257 1.00 61.31 C ATOM 129 C GLU A 9 -6.629 -5.709 0.055 1.00 62.44 C ATOM 130 O GLU A 9 -7.385 -6.029 0.979 1.00 10.33 O ATOM 131 CB GLU A 9 -5.708 -7.653 -1.293 1.00 3.43 C ATOM 132 CG GLU A 9 -6.707 -8.707 -0.857 1.00 73.22 C ATOM 133 CD GLU A 9 -6.803 -9.846 -1.847 1.00 4.32 C ATOM 134 OE1 GLU A 9 -7.632 -9.767 -2.772 1.00 14.40 O ATOM 135 OE2 GLU A 9 -6.054 -10.825 -1.700 1.00 35.20 O ATOM 0 H GLU A 9 -5.520 -7.806 1.414 1.00 42.31 H new ATOM 0 HA GLU A 9 -4.646 -5.913 -0.704 1.00 61.31 H new ATOM 0 HB2 GLU A 9 -6.080 -7.179 -2.201 1.00 3.43 H new ATOM 0 HB3 GLU A 9 -4.773 -8.149 -1.553 1.00 3.43 H new ATOM 0 HG2 GLU A 9 -6.417 -9.099 0.118 1.00 73.22 H new ATOM 0 HG3 GLU A 9 -7.688 -8.248 -0.737 1.00 73.22 H new ATOM 142 N ALA A 10 -6.762 -4.592 -0.677 1.00 23.55 N ATOM 143 CA ALA A 10 -7.757 -3.544 -0.394 1.00 51.11 C ATOM 144 C ALA A 10 -9.188 -4.058 -0.356 1.00 22.23 C ATOM 145 O ALA A 10 -9.549 -5.017 -1.044 1.00 22.04 O ATOM 146 CB ALA A 10 -7.636 -2.405 -1.393 1.00 5.43 C ATOM 0 H ALA A 10 -6.178 -4.389 -1.488 1.00 23.55 H new ATOM 0 HA ALA A 10 -7.532 -3.179 0.608 1.00 51.11 H new ATOM 0 HB1 ALA A 10 -8.380 -1.641 -1.166 1.00 5.43 H new ATOM 0 HB2 ALA A 10 -6.639 -1.970 -1.330 1.00 5.43 H new ATOM 0 HB3 ALA A 10 -7.802 -2.786 -2.401 1.00 5.43 H new ATOM 152 N ASP A 11 -9.991 -3.402 0.477 1.00 43.21 N ATOM 153 CA ASP A 11 -11.379 -3.788 0.710 1.00 5.02 C ATOM 154 C ASP A 11 -12.213 -3.559 -0.553 1.00 65.42 C ATOM 155 O ASP A 11 -13.103 -4.341 -0.879 1.00 73.32 O ATOM 156 CB ASP A 11 -11.940 -2.972 1.878 1.00 12.14 C ATOM 157 CG ASP A 11 -13.086 -3.654 2.585 1.00 64.40 C ATOM 158 OD1 ASP A 11 -12.823 -4.397 3.547 1.00 31.52 O ATOM 159 OD2 ASP A 11 -14.251 -3.436 2.204 1.00 64.31 O ATOM 0 H ASP A 11 -9.696 -2.585 1.011 1.00 43.21 H new ATOM 0 HA ASP A 11 -11.424 -4.848 0.959 1.00 5.02 H new ATOM 0 HB2 ASP A 11 -11.142 -2.780 2.595 1.00 12.14 H new ATOM 0 HB3 ASP A 11 -12.275 -2.003 1.508 1.00 12.14 H new ATOM 164 N ASP A 12 -11.870 -2.503 -1.278 1.00 51.45 N ATOM 165 CA ASP A 12 -12.497 -2.181 -2.547 1.00 24.24 C ATOM 166 C ASP A 12 -11.423 -1.760 -3.559 1.00 72.33 C ATOM 167 O ASP A 12 -10.275 -1.509 -3.184 1.00 73.12 O ATOM 168 CB ASP A 12 -13.554 -1.072 -2.365 1.00 72.40 C ATOM 169 CG ASP A 12 -12.979 0.239 -1.873 1.00 4.14 C ATOM 170 OD1 ASP A 12 -12.716 0.368 -0.661 1.00 70.10 O ATOM 171 OD2 ASP A 12 -12.803 1.155 -2.696 1.00 42.11 O ATOM 0 H ASP A 12 -11.144 -1.843 -0.998 1.00 51.45 H new ATOM 0 HA ASP A 12 -13.009 -3.065 -2.928 1.00 24.24 H new ATOM 0 HB2 ASP A 12 -14.059 -0.903 -3.316 1.00 72.40 H new ATOM 0 HB3 ASP A 12 -14.310 -1.415 -1.659 1.00 72.40 H new ATOM 176 N PHE A 13 -11.798 -1.691 -4.833 1.00 25.43 N ATOM 177 CA PHE A 13 -10.876 -1.294 -5.899 1.00 55.00 C ATOM 178 C PHE A 13 -10.831 0.228 -6.035 1.00 31.23 C ATOM 179 O PHE A 13 -11.803 0.918 -5.731 1.00 63.23 O ATOM 180 CB PHE A 13 -11.291 -1.909 -7.247 1.00 41.42 C ATOM 181 CG PHE A 13 -11.077 -3.398 -7.365 1.00 53.13 C ATOM 182 CD1 PHE A 13 -12.034 -4.297 -6.922 1.00 21.44 C ATOM 183 CD2 PHE A 13 -9.919 -3.896 -7.938 1.00 12.40 C ATOM 184 CE1 PHE A 13 -11.835 -5.657 -7.041 1.00 31.13 C ATOM 185 CE2 PHE A 13 -9.716 -5.257 -8.062 1.00 44.21 C ATOM 186 CZ PHE A 13 -10.676 -6.137 -7.614 1.00 41.45 C ATOM 0 H PHE A 13 -12.741 -1.906 -5.157 1.00 25.43 H new ATOM 0 HA PHE A 13 -9.887 -1.663 -5.629 1.00 55.00 H new ATOM 0 HB2 PHE A 13 -12.346 -1.695 -7.417 1.00 41.42 H new ATOM 0 HB3 PHE A 13 -10.733 -1.413 -8.042 1.00 41.42 H new ATOM 0 HD1 PHE A 13 -12.947 -3.928 -6.478 1.00 21.44 H new ATOM 0 HD2 PHE A 13 -9.164 -3.211 -8.293 1.00 12.40 H new ATOM 0 HE1 PHE A 13 -12.587 -6.346 -6.685 1.00 31.13 H new ATOM 0 HE2 PHE A 13 -8.806 -5.630 -8.509 1.00 44.21 H new ATOM 0 HZ PHE A 13 -10.521 -7.201 -7.711 1.00 41.45 H new ATOM 196 N ASP A 14 -9.699 0.737 -6.515 1.00 45.05 N ATOM 197 CA ASP A 14 -9.508 2.169 -6.761 1.00 35.33 C ATOM 198 C ASP A 14 -10.231 2.598 -8.068 1.00 31.00 C ATOM 199 O ASP A 14 -10.974 1.806 -8.656 1.00 55.33 O ATOM 200 CB ASP A 14 -7.986 2.461 -6.813 1.00 2.13 C ATOM 201 CG ASP A 14 -7.627 3.934 -6.684 1.00 10.34 C ATOM 202 OD1 ASP A 14 -7.718 4.488 -5.569 1.00 30.03 O ATOM 203 OD2 ASP A 14 -7.292 4.545 -7.712 1.00 44.12 O ATOM 0 H ASP A 14 -8.884 0.168 -6.746 1.00 45.05 H new ATOM 0 HA ASP A 14 -9.949 2.754 -5.954 1.00 35.33 H new ATOM 0 HB2 ASP A 14 -7.494 1.908 -6.013 1.00 2.13 H new ATOM 0 HB3 ASP A 14 -7.587 2.083 -7.754 1.00 2.13 H new ATOM 208 N GLU A 15 -10.005 3.844 -8.498 1.00 15.23 N ATOM 209 CA GLU A 15 -10.638 4.465 -9.665 1.00 4.05 C ATOM 210 C GLU A 15 -10.410 3.674 -10.951 1.00 53.43 C ATOM 211 O GLU A 15 -11.353 3.414 -11.697 1.00 44.35 O ATOM 212 CB GLU A 15 -10.077 5.876 -9.848 1.00 24.32 C ATOM 213 CG GLU A 15 -10.340 6.809 -8.678 1.00 11.24 C ATOM 214 CD GLU A 15 -11.808 7.082 -8.460 1.00 2.14 C ATOM 215 OE1 GLU A 15 -12.418 7.783 -9.292 1.00 20.44 O ATOM 216 OE2 GLU A 15 -12.358 6.599 -7.455 1.00 1.14 O ATOM 0 H GLU A 15 -9.353 4.470 -8.025 1.00 15.23 H new ATOM 0 HA GLU A 15 -11.712 4.487 -9.477 1.00 4.05 H new ATOM 0 HB2 GLU A 15 -9.001 5.809 -10.009 1.00 24.32 H new ATOM 0 HB3 GLU A 15 -10.508 6.312 -10.749 1.00 24.32 H new ATOM 0 HG2 GLU A 15 -9.918 6.374 -7.772 1.00 11.24 H new ATOM 0 HG3 GLU A 15 -9.822 7.753 -8.849 1.00 11.24 H new ATOM 223 N SER A 16 -9.162 3.266 -11.178 1.00 73.45 N ATOM 224 CA SER A 16 -8.803 2.515 -12.375 1.00 24.05 C ATOM 225 C SER A 16 -8.876 0.994 -12.129 1.00 64.15 C ATOM 226 O SER A 16 -8.436 0.183 -12.958 1.00 1.55 O ATOM 227 CB SER A 16 -7.406 2.930 -12.818 1.00 53.41 C ATOM 228 OG SER A 16 -7.087 2.400 -14.076 1.00 22.30 O ATOM 0 H SER A 16 -8.382 3.445 -10.545 1.00 73.45 H new ATOM 0 HA SER A 16 -9.518 2.743 -13.166 1.00 24.05 H new ATOM 0 HB2 SER A 16 -7.343 4.018 -12.854 1.00 53.41 H new ATOM 0 HB3 SER A 16 -6.675 2.592 -12.084 1.00 53.41 H new ATOM 0 HG SER A 16 -7.307 1.445 -14.094 1.00 22.30 H new ATOM 234 N GLY A 17 -9.464 0.615 -10.997 1.00 25.55 N ATOM 235 CA GLY A 17 -9.642 -0.779 -10.673 1.00 12.45 C ATOM 236 C GLY A 17 -8.358 -1.402 -10.198 1.00 64.41 C ATOM 237 O GLY A 17 -7.830 -2.311 -10.830 1.00 33.22 O ATOM 0 H GLY A 17 -9.822 1.262 -10.295 1.00 25.55 H new ATOM 0 HA2 GLY A 17 -10.404 -0.880 -9.900 1.00 12.45 H new ATOM 0 HA3 GLY A 17 -10.005 -1.314 -11.550 1.00 12.45 H new ATOM 241 N TRP A 18 -7.824 -0.866 -9.121 1.00 23.32 N ATOM 242 CA TRP A 18 -6.629 -1.412 -8.516 1.00 14.31 C ATOM 243 C TRP A 18 -6.900 -1.718 -7.055 1.00 51.15 C ATOM 244 O TRP A 18 -7.236 -0.831 -6.283 1.00 75.31 O ATOM 245 CB TRP A 18 -5.438 -0.452 -8.674 1.00 53.23 C ATOM 246 CG TRP A 18 -4.950 -0.308 -10.095 1.00 74.24 C ATOM 247 CD1 TRP A 18 -5.181 0.739 -10.941 1.00 1.23 C ATOM 248 CD2 TRP A 18 -4.153 -1.246 -10.835 1.00 2.52 C ATOM 249 NE1 TRP A 18 -4.574 0.509 -12.155 1.00 45.42 N ATOM 250 CE2 TRP A 18 -3.937 -0.695 -12.110 1.00 64.40 C ATOM 251 CE3 TRP A 18 -3.596 -2.490 -10.545 1.00 30.22 C ATOM 252 CZ2 TRP A 18 -3.194 -1.345 -13.087 1.00 44.10 C ATOM 253 CZ3 TRP A 18 -2.857 -3.135 -11.514 1.00 54.13 C ATOM 254 CH2 TRP A 18 -2.662 -2.561 -12.770 1.00 63.14 C ATOM 0 H TRP A 18 -8.202 -0.047 -8.644 1.00 23.32 H new ATOM 0 HA TRP A 18 -6.363 -2.337 -9.027 1.00 14.31 H new ATOM 0 HB2 TRP A 18 -5.724 0.530 -8.298 1.00 53.23 H new ATOM 0 HB3 TRP A 18 -4.615 -0.805 -8.052 1.00 53.23 H new ATOM 0 HD1 TRP A 18 -5.756 1.619 -10.694 1.00 1.23 H new ATOM 0 HE1 TRP A 18 -4.597 1.138 -12.958 1.00 45.42 H new ATOM 0 HE3 TRP A 18 -3.741 -2.942 -9.575 1.00 30.22 H new ATOM 0 HZ2 TRP A 18 -3.043 -0.904 -14.061 1.00 44.10 H new ATOM 0 HZ3 TRP A 18 -2.422 -4.100 -11.297 1.00 54.13 H new ATOM 0 HH2 TRP A 18 -2.077 -3.090 -13.508 1.00 63.14 H new ATOM 265 N LYS A 19 -6.821 -2.990 -6.699 1.00 51.01 N ATOM 266 CA LYS A 19 -6.941 -3.412 -5.320 1.00 31.12 C ATOM 267 C LYS A 19 -5.565 -3.341 -4.692 1.00 61.40 C ATOM 268 O LYS A 19 -4.740 -4.234 -4.873 1.00 74.02 O ATOM 269 CB LYS A 19 -7.517 -4.832 -5.230 1.00 63.44 C ATOM 270 CG LYS A 19 -7.744 -5.307 -3.812 1.00 1.13 C ATOM 271 CD LYS A 19 -8.317 -6.706 -3.758 1.00 10.01 C ATOM 272 CE LYS A 19 -9.797 -6.735 -4.076 1.00 35.22 C ATOM 273 NZ LYS A 19 -10.310 -8.123 -4.091 1.00 23.23 N ATOM 0 H LYS A 19 -6.672 -3.754 -7.358 1.00 51.01 H new ATOM 0 HA LYS A 19 -7.629 -2.757 -4.785 1.00 31.12 H new ATOM 0 HB2 LYS A 19 -8.463 -4.866 -5.771 1.00 63.44 H new ATOM 0 HB3 LYS A 19 -6.838 -5.522 -5.731 1.00 63.44 H new ATOM 0 HG2 LYS A 19 -6.800 -5.283 -3.268 1.00 1.13 H new ATOM 0 HG3 LYS A 19 -8.422 -4.620 -3.305 1.00 1.13 H new ATOM 0 HD2 LYS A 19 -7.784 -7.342 -4.465 1.00 10.01 H new ATOM 0 HD3 LYS A 19 -8.153 -7.125 -2.765 1.00 10.01 H new ATOM 0 HE2 LYS A 19 -10.343 -6.150 -3.336 1.00 35.22 H new ATOM 0 HE3 LYS A 19 -9.973 -6.268 -5.045 1.00 35.22 H new ATOM 0 HZ1 LYS A 19 -11.326 -8.115 -4.311 1.00 23.23 H new ATOM 0 HZ2 LYS A 19 -9.803 -8.673 -4.814 1.00 23.23 H new ATOM 0 HZ3 LYS A 19 -10.161 -8.558 -3.158 1.00 23.23 H new ATOM 287 N ASP A 20 -5.327 -2.248 -4.000 1.00 23.22 N ATOM 288 CA ASP A 20 -4.009 -1.906 -3.487 1.00 20.34 C ATOM 289 C ASP A 20 -3.598 -2.855 -2.377 1.00 21.12 C ATOM 290 O ASP A 20 -4.325 -3.054 -1.409 1.00 0.53 O ATOM 291 CB ASP A 20 -4.029 -0.479 -2.951 1.00 32.23 C ATOM 292 CG ASP A 20 -4.600 0.520 -3.941 1.00 73.31 C ATOM 293 OD1 ASP A 20 -5.841 0.584 -4.062 1.00 32.44 O ATOM 294 OD2 ASP A 20 -3.824 1.265 -4.560 1.00 43.15 O ATOM 0 H ASP A 20 -6.047 -1.562 -3.773 1.00 23.22 H new ATOM 0 HA ASP A 20 -3.288 -1.990 -4.300 1.00 20.34 H new ATOM 0 HB2 ASP A 20 -4.617 -0.450 -2.034 1.00 32.23 H new ATOM 0 HB3 ASP A 20 -3.014 -0.182 -2.688 1.00 32.23 H new ATOM 299 N THR A 21 -2.426 -3.433 -2.525 1.00 63.01 N ATOM 300 CA THR A 21 -1.944 -4.389 -1.562 1.00 45.52 C ATOM 301 C THR A 21 -0.708 -3.843 -0.877 1.00 33.12 C ATOM 302 O THR A 21 0.197 -3.297 -1.522 1.00 22.14 O ATOM 303 CB THR A 21 -1.638 -5.772 -2.193 1.00 71.21 C ATOM 304 OG1 THR A 21 -0.574 -5.679 -3.131 1.00 33.14 O ATOM 305 CG2 THR A 21 -2.852 -6.335 -2.899 1.00 74.43 C ATOM 0 H THR A 21 -1.792 -3.255 -3.304 1.00 63.01 H new ATOM 0 HA THR A 21 -2.738 -4.544 -0.832 1.00 45.52 H new ATOM 0 HB THR A 21 -1.353 -6.436 -1.377 1.00 71.21 H new ATOM 0 HG1 THR A 21 -0.155 -6.558 -3.238 1.00 33.14 H new ATOM 0 HG21 THR A 21 -2.605 -7.305 -3.331 1.00 74.43 H new ATOM 0 HG22 THR A 21 -3.666 -6.453 -2.184 1.00 74.43 H new ATOM 0 HG23 THR A 21 -3.161 -5.653 -3.692 1.00 74.43 H new ATOM 313 N VAL A 22 -0.679 -3.994 0.426 1.00 31.41 N ATOM 314 CA VAL A 22 0.419 -3.494 1.226 1.00 51.01 C ATOM 315 C VAL A 22 1.062 -4.662 1.948 1.00 75.52 C ATOM 316 O VAL A 22 0.459 -5.292 2.821 1.00 65.31 O ATOM 317 CB VAL A 22 -0.025 -2.371 2.212 1.00 53.41 C ATOM 318 CG1 VAL A 22 1.105 -1.960 3.143 1.00 53.34 C ATOM 319 CG2 VAL A 22 -0.509 -1.146 1.441 1.00 3.31 C ATOM 0 H VAL A 22 -1.410 -4.463 0.961 1.00 31.41 H new ATOM 0 HA VAL A 22 1.152 -3.026 0.568 1.00 51.01 H new ATOM 0 HB VAL A 22 -0.839 -2.775 2.814 1.00 53.41 H new ATOM 0 HG11 VAL A 22 0.756 -1.176 3.815 1.00 53.34 H new ATOM 0 HG12 VAL A 22 1.426 -2.822 3.728 1.00 53.34 H new ATOM 0 HG13 VAL A 22 1.944 -1.587 2.555 1.00 53.34 H new ATOM 0 HG21 VAL A 22 -0.815 -0.371 2.144 1.00 3.31 H new ATOM 0 HG22 VAL A 22 0.299 -0.768 0.814 1.00 3.31 H new ATOM 0 HG23 VAL A 22 -1.356 -1.422 0.814 1.00 3.31 H new ATOM 329 N THR A 23 2.267 -4.976 1.517 1.00 12.52 N ATOM 330 CA THR A 23 3.015 -6.066 2.082 1.00 15.53 C ATOM 331 C THR A 23 4.032 -5.543 3.088 1.00 61.31 C ATOM 332 O THR A 23 4.996 -4.892 2.732 1.00 44.23 O ATOM 333 CB THR A 23 3.734 -6.868 0.986 1.00 2.42 C ATOM 334 OG1 THR A 23 2.828 -7.174 -0.082 1.00 63.44 O ATOM 335 CG2 THR A 23 4.277 -8.154 1.559 1.00 10.55 C ATOM 0 H THR A 23 2.749 -4.480 0.767 1.00 12.52 H new ATOM 0 HA THR A 23 2.313 -6.727 2.590 1.00 15.53 H new ATOM 0 HB THR A 23 4.555 -6.264 0.600 1.00 2.42 H new ATOM 0 HG1 THR A 23 3.299 -7.683 -0.774 1.00 63.44 H new ATOM 0 HG21 THR A 23 4.785 -8.716 0.775 1.00 10.55 H new ATOM 0 HG22 THR A 23 4.983 -7.927 2.358 1.00 10.55 H new ATOM 0 HG23 THR A 23 3.456 -8.750 1.958 1.00 10.55 H new ATOM 343 N ILE A 24 3.802 -5.852 4.338 1.00 3.44 N ATOM 344 CA ILE A 24 4.669 -5.442 5.419 1.00 11.42 C ATOM 345 C ILE A 24 5.713 -6.530 5.650 1.00 64.11 C ATOM 346 O ILE A 24 5.378 -7.661 5.995 1.00 64.22 O ATOM 347 CB ILE A 24 3.854 -5.211 6.722 1.00 10.12 C ATOM 348 CG1 ILE A 24 2.685 -4.234 6.482 1.00 65.34 C ATOM 349 CG2 ILE A 24 4.752 -4.706 7.845 1.00 2.55 C ATOM 350 CD1 ILE A 24 3.100 -2.801 6.204 1.00 65.25 C ATOM 0 H ILE A 24 2.998 -6.402 4.640 1.00 3.44 H new ATOM 0 HA ILE A 24 5.156 -4.504 5.152 1.00 11.42 H new ATOM 0 HB ILE A 24 3.436 -6.171 7.024 1.00 10.12 H new ATOM 0 HG12 ILE A 24 2.094 -4.596 5.641 1.00 65.34 H new ATOM 0 HG13 ILE A 24 2.035 -4.246 7.357 1.00 65.34 H new ATOM 0 HG21 ILE A 24 4.157 -4.552 8.745 1.00 2.55 H new ATOM 0 HG22 ILE A 24 5.531 -5.441 8.046 1.00 2.55 H new ATOM 0 HG23 ILE A 24 5.211 -3.763 7.548 1.00 2.55 H new ATOM 0 HD11 ILE A 24 2.212 -2.189 6.048 1.00 65.25 H new ATOM 0 HD12 ILE A 24 3.663 -2.414 7.053 1.00 65.25 H new ATOM 0 HD13 ILE A 24 3.724 -2.770 5.311 1.00 65.25 H new ATOM 362 N GLU A 25 6.969 -6.186 5.442 1.00 41.54 N ATOM 363 CA GLU A 25 8.058 -7.108 5.684 1.00 24.24 C ATOM 364 C GLU A 25 8.586 -6.890 7.094 1.00 61.53 C ATOM 365 O GLU A 25 9.106 -5.827 7.428 1.00 2.33 O ATOM 366 CB GLU A 25 9.157 -6.933 4.628 1.00 21.12 C ATOM 367 CG GLU A 25 10.409 -7.761 4.880 1.00 3.22 C ATOM 368 CD GLU A 25 11.323 -7.800 3.685 1.00 30.43 C ATOM 369 OE1 GLU A 25 11.011 -8.536 2.737 1.00 62.42 O ATOM 370 OE2 GLU A 25 12.365 -7.118 3.704 1.00 31.14 O ATOM 0 H GLU A 25 7.260 -5.269 5.104 1.00 41.54 H new ATOM 0 HA GLU A 25 7.701 -8.135 5.602 1.00 24.24 H new ATOM 0 HB2 GLU A 25 8.751 -7.198 3.652 1.00 21.12 H new ATOM 0 HB3 GLU A 25 9.436 -5.880 4.582 1.00 21.12 H new ATOM 0 HG2 GLU A 25 10.948 -7.348 5.733 1.00 3.22 H new ATOM 0 HG3 GLU A 25 10.121 -8.778 5.147 1.00 3.22 H new ATOM 377 N VAL A 26 8.385 -7.901 7.922 1.00 51.34 N ATOM 378 CA VAL A 26 8.727 -7.835 9.330 1.00 3.13 C ATOM 379 C VAL A 26 9.897 -8.774 9.621 1.00 4.33 C ATOM 380 O VAL A 26 9.933 -9.900 9.143 1.00 3.33 O ATOM 381 CB VAL A 26 7.492 -8.197 10.214 1.00 74.13 C ATOM 382 CG1 VAL A 26 7.820 -8.164 11.693 1.00 3.14 C ATOM 383 CG2 VAL A 26 6.337 -7.253 9.944 1.00 55.53 C ATOM 0 H VAL A 26 7.979 -8.792 7.635 1.00 51.34 H new ATOM 0 HA VAL A 26 9.026 -6.816 9.575 1.00 3.13 H new ATOM 0 HB VAL A 26 7.207 -9.214 9.945 1.00 74.13 H new ATOM 0 HG11 VAL A 26 6.931 -8.422 12.269 1.00 3.14 H new ATOM 0 HG12 VAL A 26 8.612 -8.882 11.906 1.00 3.14 H new ATOM 0 HG13 VAL A 26 8.153 -7.164 11.970 1.00 3.14 H new ATOM 0 HG21 VAL A 26 5.489 -7.526 10.572 1.00 55.53 H new ATOM 0 HG22 VAL A 26 6.642 -6.231 10.170 1.00 55.53 H new ATOM 0 HG23 VAL A 26 6.049 -7.322 8.895 1.00 55.53 H new ATOM 393 N LYS A 27 10.861 -8.284 10.376 1.00 54.45 N ATOM 394 CA LYS A 27 11.985 -9.079 10.825 1.00 62.20 C ATOM 395 C LYS A 27 12.388 -8.605 12.220 1.00 43.42 C ATOM 396 O LYS A 27 12.548 -7.405 12.439 1.00 51.12 O ATOM 397 CB LYS A 27 13.134 -8.971 9.820 1.00 12.41 C ATOM 398 CG LYS A 27 14.402 -9.703 10.221 1.00 3.52 C ATOM 399 CD LYS A 27 15.524 -9.486 9.223 1.00 11.22 C ATOM 400 CE LYS A 27 16.009 -8.043 9.220 1.00 4.21 C ATOM 401 NZ LYS A 27 17.120 -7.828 8.267 1.00 2.01 N ATOM 0 H LYS A 27 10.885 -7.316 10.697 1.00 54.45 H new ATOM 0 HA LYS A 27 11.715 -10.133 10.886 1.00 62.20 H new ATOM 0 HB2 LYS A 27 12.795 -9.359 8.859 1.00 12.41 H new ATOM 0 HB3 LYS A 27 13.371 -7.917 9.672 1.00 12.41 H new ATOM 0 HG2 LYS A 27 14.722 -9.362 11.206 1.00 3.52 H new ATOM 0 HG3 LYS A 27 14.193 -10.770 10.306 1.00 3.52 H new ATOM 0 HD2 LYS A 27 16.356 -10.148 9.462 1.00 11.22 H new ATOM 0 HD3 LYS A 27 15.179 -9.755 8.225 1.00 11.22 H new ATOM 0 HE2 LYS A 27 15.180 -7.384 8.963 1.00 4.21 H new ATOM 0 HE3 LYS A 27 16.335 -7.769 10.223 1.00 4.21 H new ATOM 0 HZ1 LYS A 27 17.417 -6.832 8.299 1.00 2.01 H new ATOM 0 HZ2 LYS A 27 17.922 -8.437 8.526 1.00 2.01 H new ATOM 0 HZ3 LYS A 27 16.803 -8.063 7.305 1.00 2.01 H new ATOM 415 N ASN A 28 12.499 -9.576 13.153 1.00 15.14 N ATOM 416 CA ASN A 28 12.772 -9.349 14.595 1.00 60.11 C ATOM 417 C ASN A 28 11.606 -8.615 15.271 1.00 41.24 C ATOM 418 O ASN A 28 11.802 -7.811 16.190 1.00 22.42 O ATOM 419 CB ASN A 28 14.100 -8.600 14.848 1.00 64.22 C ATOM 420 CG ASN A 28 15.316 -9.392 14.421 1.00 33.15 C ATOM 421 OD1 ASN A 28 15.801 -10.251 15.151 1.00 61.22 O ATOM 422 ND2 ASN A 28 15.846 -9.070 13.258 1.00 70.44 N ATOM 0 H ASN A 28 12.399 -10.564 12.922 1.00 15.14 H new ATOM 0 HA ASN A 28 12.875 -10.338 15.043 1.00 60.11 H new ATOM 0 HB2 ASN A 28 14.084 -7.652 14.311 1.00 64.22 H new ATOM 0 HB3 ASN A 28 14.181 -8.364 15.909 1.00 64.22 H new ATOM 0 HD21 ASN A 28 16.691 -9.541 12.935 1.00 70.44 H new ATOM 0 HD22 ASN A 28 15.411 -8.350 12.681 1.00 70.44 H new ATOM 429 N GLY A 29 10.386 -8.913 14.801 1.00 13.30 N ATOM 430 CA GLY A 29 9.174 -8.334 15.371 1.00 43.14 C ATOM 431 C GLY A 29 8.827 -6.941 14.854 1.00 74.01 C ATOM 432 O GLY A 29 7.727 -6.446 15.104 1.00 33.33 O ATOM 0 H GLY A 29 10.219 -9.554 14.025 1.00 13.30 H new ATOM 0 HA2 GLY A 29 8.337 -9.002 15.165 1.00 43.14 H new ATOM 0 HA3 GLY A 29 9.285 -8.287 16.454 1.00 43.14 H new ATOM 436 N LYS A 30 9.749 -6.322 14.118 1.00 40.54 N ATOM 437 CA LYS A 30 9.592 -4.944 13.662 1.00 51.53 C ATOM 438 C LYS A 30 9.644 -4.842 12.142 1.00 65.30 C ATOM 439 O LYS A 30 10.183 -5.716 11.475 1.00 55.13 O ATOM 440 CB LYS A 30 10.663 -4.051 14.298 1.00 12.14 C ATOM 441 CG LYS A 30 12.085 -4.605 14.222 1.00 63.12 C ATOM 442 CD LYS A 30 13.098 -3.682 14.884 1.00 25.51 C ATOM 443 CE LYS A 30 12.787 -3.432 16.358 1.00 74.11 C ATOM 444 NZ LYS A 30 12.776 -4.683 17.161 1.00 21.31 N ATOM 0 H LYS A 30 10.622 -6.760 13.823 1.00 40.54 H new ATOM 0 HA LYS A 30 8.607 -4.599 13.978 1.00 51.53 H new ATOM 0 HB2 LYS A 30 10.641 -3.077 13.810 1.00 12.14 H new ATOM 0 HB3 LYS A 30 10.406 -3.889 15.345 1.00 12.14 H new ATOM 0 HG2 LYS A 30 12.118 -5.583 14.703 1.00 63.12 H new ATOM 0 HG3 LYS A 30 12.360 -4.754 13.178 1.00 63.12 H new ATOM 0 HD2 LYS A 30 14.093 -4.117 14.795 1.00 25.51 H new ATOM 0 HD3 LYS A 30 13.118 -2.730 14.354 1.00 25.51 H new ATOM 0 HE2 LYS A 30 13.527 -2.747 16.770 1.00 74.11 H new ATOM 0 HE3 LYS A 30 11.817 -2.942 16.443 1.00 74.11 H new ATOM 0 HZ1 LYS A 30 12.661 -4.448 18.168 1.00 21.31 H new ATOM 0 HZ2 LYS A 30 11.986 -5.286 16.854 1.00 21.31 H new ATOM 0 HZ3 LYS A 30 13.673 -5.191 17.024 1.00 21.31 H new ATOM 458 N ILE A 31 9.089 -3.756 11.609 1.00 22.11 N ATOM 459 CA ILE A 31 8.989 -3.558 10.162 1.00 74.34 C ATOM 460 C ILE A 31 10.344 -3.146 9.581 1.00 53.11 C ATOM 461 O ILE A 31 10.841 -2.064 9.845 1.00 33.33 O ATOM 462 CB ILE A 31 7.930 -2.477 9.813 1.00 14.14 C ATOM 463 CG1 ILE A 31 6.582 -2.808 10.470 1.00 12.25 C ATOM 464 CG2 ILE A 31 7.771 -2.353 8.299 1.00 22.31 C ATOM 465 CD1 ILE A 31 5.540 -1.713 10.345 1.00 74.43 C ATOM 0 H ILE A 31 8.698 -2.993 12.162 1.00 22.11 H new ATOM 0 HA ILE A 31 8.679 -4.506 9.723 1.00 74.34 H new ATOM 0 HB ILE A 31 8.276 -1.520 10.203 1.00 14.14 H new ATOM 0 HG12 ILE A 31 6.188 -3.721 10.023 1.00 12.25 H new ATOM 0 HG13 ILE A 31 6.748 -3.016 11.527 1.00 12.25 H new ATOM 0 HG21 ILE A 31 7.025 -1.591 8.073 1.00 22.31 H new ATOM 0 HG22 ILE A 31 8.725 -2.070 7.855 1.00 22.31 H new ATOM 0 HG23 ILE A 31 7.449 -3.310 7.887 1.00 22.31 H new ATOM 0 HD11 ILE A 31 4.619 -2.029 10.836 1.00 74.43 H new ATOM 0 HD12 ILE A 31 5.910 -0.803 10.818 1.00 74.43 H new ATOM 0 HD13 ILE A 31 5.341 -1.519 9.291 1.00 74.43 H new ATOM 477 N VAL A 32 10.929 -4.007 8.777 1.00 63.45 N ATOM 478 CA VAL A 32 12.236 -3.724 8.208 1.00 55.01 C ATOM 479 C VAL A 32 12.123 -3.185 6.784 1.00 14.11 C ATOM 480 O VAL A 32 13.071 -2.588 6.269 1.00 31.43 O ATOM 481 CB VAL A 32 13.172 -4.953 8.262 1.00 45.23 C ATOM 482 CG1 VAL A 32 13.475 -5.304 9.705 1.00 44.11 C ATOM 483 CG2 VAL A 32 12.584 -6.158 7.535 1.00 43.12 C ATOM 0 H VAL A 32 10.527 -4.903 8.502 1.00 63.45 H new ATOM 0 HA VAL A 32 12.685 -2.947 8.826 1.00 55.01 H new ATOM 0 HB VAL A 32 14.096 -4.688 7.748 1.00 45.23 H new ATOM 0 HG11 VAL A 32 14.135 -6.171 9.738 1.00 44.11 H new ATOM 0 HG12 VAL A 32 13.962 -4.458 10.191 1.00 44.11 H new ATOM 0 HG13 VAL A 32 12.546 -5.536 10.226 1.00 44.11 H new ATOM 0 HG21 VAL A 32 13.278 -6.996 7.600 1.00 43.12 H new ATOM 0 HG22 VAL A 32 11.636 -6.434 7.997 1.00 43.12 H new ATOM 0 HG23 VAL A 32 12.418 -5.906 6.488 1.00 43.12 H new ATOM 493 N SER A 33 10.947 -3.374 6.174 1.00 23.21 N ATOM 494 CA SER A 33 10.682 -2.925 4.817 1.00 61.15 C ATOM 495 C SER A 33 9.182 -3.002 4.545 1.00 41.05 C ATOM 496 O SER A 33 8.435 -3.613 5.308 1.00 21.42 O ATOM 497 CB SER A 33 11.441 -3.795 3.800 1.00 61.13 C ATOM 498 OG SER A 33 11.376 -3.244 2.496 1.00 2.01 O ATOM 0 H SER A 33 10.156 -3.844 6.615 1.00 23.21 H new ATOM 0 HA SER A 33 11.024 -1.895 4.712 1.00 61.15 H new ATOM 0 HB2 SER A 33 12.483 -3.888 4.105 1.00 61.13 H new ATOM 0 HB3 SER A 33 11.020 -4.800 3.793 1.00 61.13 H new ATOM 0 HG SER A 33 10.811 -3.810 1.930 1.00 2.01 H new ATOM 504 N VAL A 34 8.747 -2.368 3.472 1.00 35.21 N ATOM 505 CA VAL A 34 7.378 -2.476 3.018 1.00 0.43 C ATOM 506 C VAL A 34 7.346 -2.465 1.477 1.00 41.24 C ATOM 507 O VAL A 34 8.069 -1.712 0.814 1.00 32.24 O ATOM 508 CB VAL A 34 6.462 -1.383 3.659 1.00 70.43 C ATOM 509 CG1 VAL A 34 6.915 0.015 3.310 1.00 11.42 C ATOM 510 CG2 VAL A 34 5.003 -1.579 3.279 1.00 21.34 C ATOM 0 H VAL A 34 9.333 -1.766 2.894 1.00 35.21 H new ATOM 0 HA VAL A 34 6.964 -3.427 3.354 1.00 0.43 H new ATOM 0 HB VAL A 34 6.552 -1.501 4.739 1.00 70.43 H new ATOM 0 HG11 VAL A 34 6.249 0.741 3.777 1.00 11.42 H new ATOM 0 HG12 VAL A 34 7.931 0.169 3.673 1.00 11.42 H new ATOM 0 HG13 VAL A 34 6.892 0.145 2.228 1.00 11.42 H new ATOM 0 HG21 VAL A 34 4.398 -0.800 3.744 1.00 21.34 H new ATOM 0 HG22 VAL A 34 4.898 -1.522 2.196 1.00 21.34 H new ATOM 0 HG23 VAL A 34 4.665 -2.556 3.625 1.00 21.34 H new ATOM 520 N ASP A 35 6.536 -3.355 0.939 1.00 32.32 N ATOM 521 CA ASP A 35 6.428 -3.582 -0.486 1.00 30.13 C ATOM 522 C ASP A 35 5.032 -3.203 -0.956 1.00 53.03 C ATOM 523 O ASP A 35 4.033 -3.599 -0.352 1.00 14.34 O ATOM 524 CB ASP A 35 6.734 -5.054 -0.796 1.00 31.02 C ATOM 525 CG ASP A 35 6.759 -5.366 -2.281 1.00 0.42 C ATOM 526 OD1 ASP A 35 7.727 -4.973 -2.955 1.00 31.14 O ATOM 527 OD2 ASP A 35 5.818 -6.023 -2.772 1.00 55.32 O ATOM 0 H ASP A 35 5.922 -3.952 1.493 1.00 32.32 H new ATOM 0 HA ASP A 35 7.150 -2.962 -1.017 1.00 30.13 H new ATOM 0 HB2 ASP A 35 7.699 -5.316 -0.361 1.00 31.02 H new ATOM 0 HB3 ASP A 35 5.986 -5.682 -0.313 1.00 31.02 H new ATOM 532 N TRP A 36 4.971 -2.422 -2.011 1.00 60.34 N ATOM 533 CA TRP A 36 3.703 -1.966 -2.551 1.00 61.55 C ATOM 534 C TRP A 36 3.396 -2.657 -3.871 1.00 72.25 C ATOM 535 O TRP A 36 4.296 -2.975 -4.651 1.00 23.44 O ATOM 536 CB TRP A 36 3.667 -0.434 -2.692 1.00 44.34 C ATOM 537 CG TRP A 36 4.961 0.192 -3.136 1.00 32.50 C ATOM 538 CD1 TRP A 36 5.917 0.726 -2.322 1.00 34.33 C ATOM 539 CD2 TRP A 36 5.438 0.361 -4.479 1.00 14.14 C ATOM 540 NE1 TRP A 36 6.953 1.209 -3.072 1.00 33.44 N ATOM 541 CE2 TRP A 36 6.688 0.999 -4.397 1.00 24.30 C ATOM 542 CE3 TRP A 36 4.935 0.037 -5.742 1.00 14.13 C ATOM 543 CZ2 TRP A 36 7.439 1.314 -5.522 1.00 13.11 C ATOM 544 CZ3 TRP A 36 5.682 0.349 -6.858 1.00 13.32 C ATOM 545 CH2 TRP A 36 6.921 0.984 -6.742 1.00 34.34 C ATOM 0 H TRP A 36 5.790 -2.085 -2.518 1.00 60.34 H new ATOM 0 HA TRP A 36 2.921 -2.240 -1.843 1.00 61.55 H new ATOM 0 HB2 TRP A 36 2.888 -0.168 -3.406 1.00 44.34 H new ATOM 0 HB3 TRP A 36 3.382 -0.002 -1.733 1.00 44.34 H new ATOM 0 HD1 TRP A 36 5.863 0.762 -1.244 1.00 34.33 H new ATOM 0 HE1 TRP A 36 7.792 1.656 -2.701 1.00 33.44 H new ATOM 0 HE3 TRP A 36 3.976 -0.450 -5.842 1.00 14.13 H new ATOM 0 HZ2 TRP A 36 8.398 1.802 -5.435 1.00 13.11 H new ATOM 0 HZ3 TRP A 36 5.303 0.098 -7.838 1.00 13.32 H new ATOM 0 HH2 TRP A 36 7.481 1.219 -7.635 1.00 34.34 H new ATOM 556 N ASN A 37 2.113 -2.901 -4.080 1.00 32.42 N ATOM 557 CA ASN A 37 1.611 -3.648 -5.230 1.00 22.11 C ATOM 558 C ASN A 37 0.105 -3.339 -5.367 1.00 43.25 C ATOM 559 O ASN A 37 -0.462 -2.694 -4.484 1.00 32.20 O ATOM 560 CB ASN A 37 1.891 -5.152 -4.971 1.00 1.52 C ATOM 561 CG ASN A 37 1.524 -6.100 -6.097 1.00 25.31 C ATOM 562 OD1 ASN A 37 1.671 -5.794 -7.274 1.00 73.23 O ATOM 563 ND2 ASN A 37 1.008 -7.253 -5.722 1.00 43.04 N ATOM 0 H ASN A 37 1.377 -2.583 -3.449 1.00 32.42 H new ATOM 0 HA ASN A 37 2.098 -3.370 -6.164 1.00 22.11 H new ATOM 0 HB2 ASN A 37 2.952 -5.271 -4.753 1.00 1.52 H new ATOM 0 HB3 ASN A 37 1.346 -5.454 -4.076 1.00 1.52 H new ATOM 0 HD21 ASN A 37 0.713 -7.932 -6.424 1.00 43.04 H new ATOM 0 HD22 ASN A 37 0.904 -7.467 -4.730 1.00 43.04 H new ATOM 570 N ALA A 38 -0.530 -3.756 -6.463 1.00 15.12 N ATOM 571 CA ALA A 38 -1.975 -3.594 -6.652 1.00 14.52 C ATOM 572 C ALA A 38 -2.515 -4.749 -7.502 1.00 31.31 C ATOM 573 O ALA A 38 -1.738 -5.455 -8.109 1.00 31.12 O ATOM 574 CB ALA A 38 -2.271 -2.243 -7.301 1.00 54.41 C ATOM 0 H ALA A 38 -0.060 -4.215 -7.244 1.00 15.12 H new ATOM 0 HA ALA A 38 -2.475 -3.617 -5.684 1.00 14.52 H new ATOM 0 HB1 ALA A 38 -3.347 -2.133 -7.437 1.00 54.41 H new ATOM 0 HB2 ALA A 38 -1.902 -1.443 -6.659 1.00 54.41 H new ATOM 0 HB3 ALA A 38 -1.775 -2.189 -8.270 1.00 54.41 H new ATOM 580 N ILE A 39 -3.829 -4.974 -7.513 1.00 11.14 N ATOM 581 CA ILE A 39 -4.426 -6.035 -8.341 1.00 11.24 C ATOM 582 C ILE A 39 -5.420 -5.414 -9.319 1.00 41.34 C ATOM 583 O ILE A 39 -6.252 -4.618 -8.918 1.00 25.20 O ATOM 584 CB ILE A 39 -5.175 -7.114 -7.500 1.00 53.21 C ATOM 585 CG1 ILE A 39 -4.379 -7.520 -6.251 1.00 72.03 C ATOM 586 CG2 ILE A 39 -5.444 -8.348 -8.362 1.00 41.21 C ATOM 587 CD1 ILE A 39 -5.159 -8.392 -5.287 1.00 34.40 C ATOM 0 H ILE A 39 -4.502 -4.441 -6.962 1.00 11.14 H new ATOM 0 HA ILE A 39 -3.605 -6.528 -8.862 1.00 11.24 H new ATOM 0 HB ILE A 39 -6.118 -6.679 -7.168 1.00 53.21 H new ATOM 0 HG12 ILE A 39 -3.480 -8.052 -6.561 1.00 72.03 H new ATOM 0 HG13 ILE A 39 -4.053 -6.620 -5.730 1.00 72.03 H new ATOM 0 HG21 ILE A 39 -5.967 -9.099 -7.770 1.00 41.21 H new ATOM 0 HG22 ILE A 39 -6.059 -8.067 -9.217 1.00 41.21 H new ATOM 0 HG23 ILE A 39 -4.498 -8.759 -8.714 1.00 41.21 H new ATOM 0 HD11 ILE A 39 -4.532 -8.638 -4.430 1.00 34.40 H new ATOM 0 HD12 ILE A 39 -6.045 -7.856 -4.946 1.00 34.40 H new ATOM 0 HD13 ILE A 39 -5.462 -9.310 -5.790 1.00 34.40 H new ATOM 599 N ASN A 40 -5.346 -5.782 -10.589 1.00 2.41 N ATOM 600 CA ASN A 40 -6.223 -5.189 -11.597 1.00 30.33 C ATOM 601 C ASN A 40 -7.621 -5.812 -11.566 1.00 34.34 C ATOM 602 O ASN A 40 -7.777 -7.018 -11.385 1.00 21.21 O ATOM 603 CB ASN A 40 -5.608 -5.306 -12.992 1.00 72.43 C ATOM 604 CG ASN A 40 -6.272 -4.383 -14.007 1.00 64.14 C ATOM 605 OD1 ASN A 40 -7.198 -4.768 -14.705 1.00 64.31 O ATOM 606 ND2 ASN A 40 -5.827 -3.146 -14.066 1.00 3.20 N ATOM 0 H ASN A 40 -4.696 -6.481 -10.948 1.00 2.41 H new ATOM 0 HA ASN A 40 -6.329 -4.131 -11.356 1.00 30.33 H new ATOM 0 HB2 ASN A 40 -4.545 -5.073 -12.936 1.00 72.43 H new ATOM 0 HB3 ASN A 40 -5.691 -6.337 -13.336 1.00 72.43 H new ATOM 0 HD21 ASN A 40 -6.257 -2.479 -14.707 1.00 3.20 H new ATOM 0 HD22 ASN A 40 -5.052 -2.854 -13.471 1.00 3.20 H new ATOM 613 N LYS A 41 -8.611 -4.939 -11.724 1.00 54.11 N ATOM 614 CA LYS A 41 -10.034 -5.269 -11.691 1.00 51.22 C ATOM 615 C LYS A 41 -10.441 -6.188 -12.839 1.00 23.33 C ATOM 616 O LYS A 41 -11.054 -7.232 -12.620 1.00 4.21 O ATOM 617 CB LYS A 41 -10.809 -3.954 -11.771 1.00 21.05 C ATOM 618 CG LYS A 41 -12.298 -4.040 -11.518 1.00 55.42 C ATOM 619 CD LYS A 41 -12.933 -2.676 -11.704 1.00 1.45 C ATOM 620 CE LYS A 41 -14.397 -2.673 -11.327 1.00 73.54 C ATOM 621 NZ LYS A 41 -15.014 -1.344 -11.555 1.00 60.53 N ATOM 0 H LYS A 41 -8.439 -3.946 -11.884 1.00 54.11 H new ATOM 0 HA LYS A 41 -10.257 -5.808 -10.770 1.00 51.22 H new ATOM 0 HB2 LYS A 41 -10.379 -3.258 -11.051 1.00 21.05 H new ATOM 0 HB3 LYS A 41 -10.654 -3.525 -12.761 1.00 21.05 H new ATOM 0 HG2 LYS A 41 -12.751 -4.758 -12.202 1.00 55.42 H new ATOM 0 HG3 LYS A 41 -12.483 -4.402 -10.507 1.00 55.42 H new ATOM 0 HD2 LYS A 41 -12.401 -1.943 -11.097 1.00 1.45 H new ATOM 0 HD3 LYS A 41 -12.826 -2.366 -12.743 1.00 1.45 H new ATOM 0 HE2 LYS A 41 -14.926 -3.426 -11.911 1.00 73.54 H new ATOM 0 HE3 LYS A 41 -14.504 -2.950 -10.278 1.00 73.54 H new ATOM 0 HZ1 LYS A 41 -16.018 -1.377 -11.286 1.00 60.53 H new ATOM 0 HZ2 LYS A 41 -14.524 -0.630 -10.978 1.00 60.53 H new ATOM 0 HZ3 LYS A 41 -14.933 -1.091 -12.561 1.00 60.53 H new ATOM 635 N ASP A 42 -10.078 -5.793 -14.049 1.00 32.14 N ATOM 636 CA ASP A 42 -10.438 -6.533 -15.247 1.00 10.43 C ATOM 637 C ASP A 42 -9.473 -7.700 -15.483 1.00 54.51 C ATOM 638 O ASP A 42 -9.898 -8.802 -15.847 1.00 31.10 O ATOM 639 CB ASP A 42 -10.454 -5.572 -16.442 1.00 33.41 C ATOM 640 CG ASP A 42 -10.722 -6.268 -17.759 1.00 25.02 C ATOM 641 OD1 ASP A 42 -11.881 -6.648 -18.009 1.00 24.32 O ATOM 642 OD2 ASP A 42 -9.771 -6.428 -18.546 1.00 62.15 O ATOM 0 H ASP A 42 -9.527 -4.953 -14.228 1.00 32.14 H new ATOM 0 HA ASP A 42 -11.432 -6.962 -15.122 1.00 10.43 H new ATOM 0 HB2 ASP A 42 -11.217 -4.811 -16.278 1.00 33.41 H new ATOM 0 HB3 ASP A 42 -9.496 -5.056 -16.499 1.00 33.41 H new ATOM 647 N GLY A 43 -8.191 -7.454 -15.215 1.00 22.44 N ATOM 648 CA GLY A 43 -7.139 -8.413 -15.517 1.00 11.43 C ATOM 649 C GLY A 43 -7.075 -9.550 -14.524 1.00 14.13 C ATOM 650 O GLY A 43 -7.133 -10.714 -14.908 1.00 4.41 O ATOM 0 H GLY A 43 -7.858 -6.591 -14.786 1.00 22.44 H new ATOM 0 HA2 GLY A 43 -7.300 -8.819 -16.516 1.00 11.43 H new ATOM 0 HA3 GLY A 43 -6.179 -7.898 -15.534 1.00 11.43 H new ATOM 654 N GLY A 44 -6.968 -9.204 -13.244 1.00 0.34 N ATOM 655 CA GLY A 44 -6.907 -10.207 -12.193 1.00 52.24 C ATOM 656 C GLY A 44 -5.496 -10.465 -11.713 1.00 72.43 C ATOM 657 O GLY A 44 -5.288 -11.221 -10.764 1.00 25.01 O ATOM 0 H GLY A 44 -6.922 -8.240 -12.914 1.00 0.34 H new ATOM 0 HA2 GLY A 44 -7.519 -9.883 -11.351 1.00 52.24 H new ATOM 0 HA3 GLY A 44 -7.337 -11.139 -12.560 1.00 52.24 H new ATOM 661 N ASP A 45 -4.529 -9.830 -12.365 1.00 12.21 N ATOM 662 CA ASP A 45 -3.123 -10.022 -12.042 1.00 13.31 C ATOM 663 C ASP A 45 -2.614 -8.884 -11.189 1.00 74.02 C ATOM 664 O ASP A 45 -3.226 -7.813 -11.130 1.00 20.42 O ATOM 665 CB ASP A 45 -2.261 -10.108 -13.307 1.00 40.12 C ATOM 666 CG ASP A 45 -2.641 -11.251 -14.212 1.00 32.21 C ATOM 667 OD1 ASP A 45 -3.564 -11.076 -15.033 1.00 53.42 O ATOM 668 OD2 ASP A 45 -2.009 -12.321 -14.128 1.00 21.42 O ATOM 0 H ASP A 45 -4.697 -9.173 -13.127 1.00 12.21 H new ATOM 0 HA ASP A 45 -3.047 -10.962 -11.495 1.00 13.31 H new ATOM 0 HB2 ASP A 45 -2.346 -9.173 -13.860 1.00 40.12 H new ATOM 0 HB3 ASP A 45 -1.215 -10.214 -13.019 1.00 40.12 H new ATOM 673 N ASP A 46 -1.471 -9.122 -10.559 1.00 55.32 N ATOM 674 CA ASP A 46 -0.801 -8.125 -9.726 1.00 64.11 C ATOM 675 C ASP A 46 -0.113 -7.082 -10.595 1.00 15.21 C ATOM 676 O ASP A 46 0.065 -7.293 -11.787 1.00 2.43 O ATOM 677 CB ASP A 46 0.245 -8.799 -8.833 1.00 0.14 C ATOM 678 CG ASP A 46 -0.355 -9.826 -7.890 1.00 4.01 C ATOM 679 OD1 ASP A 46 -0.607 -10.965 -8.324 1.00 13.43 O ATOM 680 OD2 ASP A 46 -0.577 -9.499 -6.714 1.00 34.10 O ATOM 0 H ASP A 46 -0.979 -10.014 -10.610 1.00 55.32 H new ATOM 0 HA ASP A 46 -1.554 -7.639 -9.105 1.00 64.11 H new ATOM 0 HB2 ASP A 46 0.993 -9.283 -9.461 1.00 0.14 H new ATOM 0 HB3 ASP A 46 0.763 -8.037 -8.250 1.00 0.14 H new ATOM 685 N LYS A 47 0.256 -5.957 -9.988 1.00 15.21 N ATOM 686 CA LYS A 47 1.052 -4.910 -10.639 1.00 21.32 C ATOM 687 C LYS A 47 2.435 -5.440 -11.007 1.00 54.13 C ATOM 688 O LYS A 47 2.980 -5.093 -12.057 1.00 22.21 O ATOM 689 CB LYS A 47 1.194 -3.685 -9.719 1.00 4.45 C ATOM 690 CG LYS A 47 0.661 -2.407 -10.328 1.00 31.24 C ATOM 691 CD LYS A 47 1.342 -2.113 -11.649 1.00 30.31 C ATOM 692 CE LYS A 47 0.610 -1.056 -12.420 1.00 35.53 C ATOM 693 NZ LYS A 47 0.971 0.306 -11.994 1.00 62.32 N ATOM 0 H LYS A 47 0.011 -5.741 -9.022 1.00 15.21 H new ATOM 0 HA LYS A 47 0.533 -4.609 -11.549 1.00 21.32 H new ATOM 0 HB2 LYS A 47 0.668 -3.880 -8.784 1.00 4.45 H new ATOM 0 HB3 LYS A 47 2.246 -3.548 -9.470 1.00 4.45 H new ATOM 0 HG2 LYS A 47 -0.415 -2.493 -10.480 1.00 31.24 H new ATOM 0 HG3 LYS A 47 0.820 -1.577 -9.639 1.00 31.24 H new ATOM 0 HD2 LYS A 47 2.367 -1.789 -11.467 1.00 30.31 H new ATOM 0 HD3 LYS A 47 1.397 -3.026 -12.242 1.00 30.31 H new ATOM 0 HE2 LYS A 47 0.827 -1.170 -13.482 1.00 35.53 H new ATOM 0 HE3 LYS A 47 -0.464 -1.199 -12.297 1.00 35.53 H new ATOM 0 HZ1 LYS A 47 0.661 0.989 -12.715 1.00 62.32 H new ATOM 0 HZ2 LYS A 47 0.505 0.522 -11.089 1.00 62.32 H new ATOM 0 HZ3 LYS A 47 2.002 0.371 -11.877 1.00 62.32 H new ATOM 707 N ASP A 48 2.966 -6.283 -10.114 1.00 33.42 N ATOM 708 CA ASP A 48 4.166 -7.084 -10.352 1.00 20.03 C ATOM 709 C ASP A 48 4.031 -7.912 -11.638 1.00 5.24 C ATOM 710 O ASP A 48 4.851 -7.790 -12.541 1.00 44.22 O ATOM 711 CB ASP A 48 4.394 -7.990 -9.118 1.00 61.43 C ATOM 712 CG ASP A 48 5.283 -9.201 -9.374 1.00 64.22 C ATOM 713 OD1 ASP A 48 6.520 -9.057 -9.355 1.00 43.12 O ATOM 714 OD2 ASP A 48 4.734 -10.304 -9.579 1.00 63.43 O ATOM 0 H ASP A 48 2.563 -6.428 -9.188 1.00 33.42 H new ATOM 0 HA ASP A 48 5.028 -6.431 -10.491 1.00 20.03 H new ATOM 0 HB2 ASP A 48 4.838 -7.392 -8.322 1.00 61.43 H new ATOM 0 HB3 ASP A 48 3.427 -8.337 -8.755 1.00 61.43 H new ATOM 719 N THR A 49 2.944 -8.678 -11.727 1.00 43.35 N ATOM 720 CA THR A 49 2.746 -9.650 -12.794 1.00 3.22 C ATOM 721 C THR A 49 2.390 -8.980 -14.131 1.00 61.52 C ATOM 722 O THR A 49 2.834 -9.432 -15.174 1.00 3.31 O ATOM 723 CB THR A 49 1.651 -10.653 -12.379 1.00 53.21 C ATOM 724 OG1 THR A 49 1.873 -11.033 -11.017 1.00 22.34 O ATOM 725 CG2 THR A 49 1.668 -11.905 -13.249 1.00 33.05 C ATOM 0 H THR A 49 2.175 -8.639 -11.057 1.00 43.35 H new ATOM 0 HA THR A 49 3.687 -10.178 -12.948 1.00 3.22 H new ATOM 0 HB THR A 49 0.681 -10.171 -12.503 1.00 53.21 H new ATOM 0 HG1 THR A 49 1.183 -11.670 -10.738 1.00 22.34 H new ATOM 0 HG21 THR A 49 0.881 -12.585 -12.923 1.00 33.05 H new ATOM 0 HG22 THR A 49 1.500 -11.627 -14.290 1.00 33.05 H new ATOM 0 HG23 THR A 49 2.635 -12.399 -13.157 1.00 33.05 H new ATOM 733 N LEU A 50 1.628 -7.883 -14.086 1.00 65.32 N ATOM 734 CA LEU A 50 1.240 -7.133 -15.291 1.00 14.10 C ATOM 735 C LEU A 50 2.415 -6.390 -15.917 1.00 25.11 C ATOM 736 O LEU A 50 2.477 -6.261 -17.136 1.00 0.21 O ATOM 737 CB LEU A 50 0.107 -6.148 -14.993 1.00 25.41 C ATOM 738 CG LEU A 50 -1.254 -6.790 -14.726 1.00 64.41 C ATOM 739 CD1 LEU A 50 -2.283 -5.726 -14.429 1.00 23.12 C ATOM 740 CD2 LEU A 50 -1.697 -7.633 -15.912 1.00 42.12 C ATOM 0 H LEU A 50 1.263 -7.489 -13.219 1.00 65.32 H new ATOM 0 HA LEU A 50 0.889 -7.873 -16.010 1.00 14.10 H new ATOM 0 HB2 LEU A 50 0.385 -5.549 -14.126 1.00 25.41 H new ATOM 0 HB3 LEU A 50 0.010 -5.464 -15.836 1.00 25.41 H new ATOM 0 HG LEU A 50 -1.160 -7.443 -13.859 1.00 64.41 H new ATOM 0 HD11 LEU A 50 -3.248 -6.196 -14.241 1.00 23.12 H new ATOM 0 HD12 LEU A 50 -1.977 -5.160 -13.549 1.00 23.12 H new ATOM 0 HD13 LEU A 50 -2.367 -5.053 -15.282 1.00 23.12 H new ATOM 0 HD21 LEU A 50 -2.668 -8.080 -15.698 1.00 42.12 H new ATOM 0 HD22 LEU A 50 -1.774 -7.003 -16.798 1.00 42.12 H new ATOM 0 HD23 LEU A 50 -0.966 -8.422 -16.091 1.00 42.12 H new ATOM 752 N SER A 51 3.336 -5.904 -15.085 1.00 33.45 N ATOM 753 CA SER A 51 4.547 -5.243 -15.566 1.00 13.23 C ATOM 754 C SER A 51 5.523 -6.273 -16.166 1.00 3.01 C ATOM 755 O SER A 51 6.274 -5.960 -17.093 1.00 12.33 O ATOM 756 CB SER A 51 5.208 -4.465 -14.421 1.00 4.25 C ATOM 757 OG SER A 51 6.256 -3.636 -14.890 1.00 3.05 O ATOM 0 H SER A 51 3.265 -5.957 -14.069 1.00 33.45 H new ATOM 0 HA SER A 51 4.277 -4.539 -16.353 1.00 13.23 H new ATOM 0 HB2 SER A 51 4.459 -3.855 -13.915 1.00 4.25 H new ATOM 0 HB3 SER A 51 5.600 -5.165 -13.683 1.00 4.25 H new ATOM 0 HG SER A 51 6.654 -3.154 -14.136 1.00 3.05 H new ATOM 763 N ARG A 52 5.473 -7.504 -15.649 1.00 34.12 N ATOM 764 CA ARG A 52 6.300 -8.609 -16.139 1.00 43.32 C ATOM 765 C ARG A 52 5.749 -9.212 -17.439 1.00 50.35 C ATOM 766 O ARG A 52 6.516 -9.676 -18.281 1.00 21.04 O ATOM 767 CB ARG A 52 6.403 -9.692 -15.064 1.00 43.50 C ATOM 768 CG ARG A 52 7.360 -9.341 -13.933 1.00 23.31 C ATOM 769 CD ARG A 52 7.147 -10.229 -12.710 1.00 71.04 C ATOM 770 NE ARG A 52 7.257 -11.657 -13.026 1.00 32.52 N ATOM 771 CZ ARG A 52 6.689 -12.641 -12.322 1.00 42.32 C ATOM 772 NH1 ARG A 52 5.976 -12.382 -11.232 1.00 33.25 N ATOM 773 NH2 ARG A 52 6.829 -13.895 -12.722 1.00 11.23 N ATOM 0 H ARG A 52 4.857 -7.762 -14.878 1.00 34.12 H new ATOM 0 HA ARG A 52 7.290 -8.209 -16.359 1.00 43.32 H new ATOM 0 HB2 ARG A 52 5.412 -9.873 -14.647 1.00 43.50 H new ATOM 0 HB3 ARG A 52 6.729 -10.623 -15.528 1.00 43.50 H new ATOM 0 HG2 ARG A 52 8.387 -9.444 -14.282 1.00 23.31 H new ATOM 0 HG3 ARG A 52 7.222 -8.297 -13.652 1.00 23.31 H new ATOM 0 HD2 ARG A 52 7.881 -9.972 -11.946 1.00 71.04 H new ATOM 0 HD3 ARG A 52 6.163 -10.029 -12.287 1.00 71.04 H new ATOM 0 HE ARG A 52 7.808 -11.919 -13.844 1.00 32.52 H new ATOM 0 HH11 ARG A 52 5.854 -11.419 -10.919 1.00 33.25 H new ATOM 0 HH12 ARG A 52 5.550 -13.146 -10.708 1.00 33.25 H new ATOM 0 HH21 ARG A 52 7.368 -14.105 -13.562 1.00 11.23 H new ATOM 0 HH22 ARG A 52 6.398 -14.651 -12.190 1.00 11.23 H new ATOM 787 N ASN A 53 4.421 -9.206 -17.595 1.00 53.32 N ATOM 788 CA ASN A 53 3.766 -9.748 -18.797 1.00 24.44 C ATOM 789 C ASN A 53 3.739 -8.735 -19.934 1.00 41.24 C ATOM 790 O ASN A 53 3.727 -9.111 -21.105 1.00 75.43 O ATOM 791 CB ASN A 53 2.316 -10.177 -18.501 1.00 21.42 C ATOM 792 CG ASN A 53 2.207 -11.425 -17.646 1.00 13.43 C ATOM 793 OD1 ASN A 53 3.080 -12.286 -17.661 1.00 51.52 O ATOM 794 ND2 ASN A 53 1.120 -11.537 -16.907 1.00 45.11 N ATOM 0 H ASN A 53 3.773 -8.831 -16.902 1.00 53.32 H new ATOM 0 HA ASN A 53 4.356 -10.614 -19.098 1.00 24.44 H new ATOM 0 HB2 ASN A 53 1.801 -9.358 -17.999 1.00 21.42 H new ATOM 0 HB3 ASN A 53 1.798 -10.349 -19.445 1.00 21.42 H new ATOM 0 HD21 ASN A 53 0.984 -12.361 -16.322 1.00 45.11 H new ATOM 0 HD22 ASN A 53 0.416 -10.799 -16.921 1.00 45.11 H new ATOM 801 N GLY A 54 3.720 -7.455 -19.571 1.00 4.35 N ATOM 802 CA GLY A 54 3.521 -6.394 -20.542 1.00 62.23 C ATOM 803 C GLY A 54 2.049 -6.205 -20.867 1.00 74.14 C ATOM 804 O GLY A 54 1.688 -5.922 -22.010 1.00 2.14 O ATOM 0 H GLY A 54 3.840 -7.132 -18.611 1.00 4.35 H new ATOM 0 HA2 GLY A 54 3.931 -5.462 -20.153 1.00 62.23 H new ATOM 0 HA3 GLY A 54 4.069 -6.627 -21.455 1.00 62.23 H new ATOM 808 N GLY A 55 1.204 -6.370 -19.851 1.00 11.31 N ATOM 809 CA GLY A 55 -0.230 -6.249 -20.024 1.00 30.33 C ATOM 810 C GLY A 55 -0.835 -5.282 -19.033 1.00 35.24 C ATOM 811 O GLY A 55 -1.902 -5.543 -18.480 1.00 32.51 O ATOM 0 H GLY A 55 1.496 -6.589 -18.898 1.00 11.31 H new ATOM 0 HA2 GLY A 55 -0.447 -5.913 -21.038 1.00 30.33 H new ATOM 0 HA3 GLY A 55 -0.694 -7.228 -19.906 1.00 30.33 H new ATOM 815 N TYR A 56 -0.128 -4.172 -18.798 1.00 63.41 N ATOM 816 CA TYR A 56 -0.584 -3.097 -17.911 1.00 63.22 C ATOM 817 C TYR A 56 -1.714 -2.296 -18.579 1.00 73.44 C ATOM 818 O TYR A 56 -1.483 -1.322 -19.299 1.00 72.00 O ATOM 819 CB TYR A 56 0.638 -2.225 -17.533 1.00 62.22 C ATOM 820 CG TYR A 56 0.388 -0.943 -16.741 1.00 51.43 C ATOM 821 CD1 TYR A 56 -0.655 -0.800 -15.824 1.00 4.34 C ATOM 822 CD2 TYR A 56 1.234 0.137 -16.924 1.00 51.51 C ATOM 823 CE1 TYR A 56 -0.832 0.382 -15.132 1.00 72.42 C ATOM 824 CE2 TYR A 56 1.064 1.316 -16.227 1.00 50.31 C ATOM 825 CZ TYR A 56 0.032 1.434 -15.332 1.00 72.21 C ATOM 826 OH TYR A 56 -0.126 2.602 -14.620 1.00 53.33 O ATOM 0 H TYR A 56 0.783 -3.993 -19.221 1.00 63.41 H new ATOM 0 HA TYR A 56 -1.007 -3.503 -16.992 1.00 63.22 H new ATOM 0 HB2 TYR A 56 1.325 -2.845 -16.956 1.00 62.22 H new ATOM 0 HB3 TYR A 56 1.152 -1.953 -18.455 1.00 62.22 H new ATOM 0 HD1 TYR A 56 -1.332 -1.624 -15.654 1.00 4.34 H new ATOM 0 HD2 TYR A 56 2.047 0.055 -17.630 1.00 51.51 H new ATOM 0 HE1 TYR A 56 -1.649 0.481 -14.433 1.00 72.42 H new ATOM 0 HE2 TYR A 56 1.741 2.142 -16.386 1.00 50.31 H new ATOM 0 HH TYR A 56 -0.988 3.009 -14.846 1.00 53.33 H new ATOM 836 N LYS A 57 -2.935 -2.776 -18.380 1.00 32.20 N ATOM 837 CA LYS A 57 -4.122 -2.121 -18.898 1.00 13.51 C ATOM 838 C LYS A 57 -4.968 -1.560 -17.769 1.00 72.02 C ATOM 839 O LYS A 57 -5.509 -2.299 -16.946 1.00 61.01 O ATOM 840 CB LYS A 57 -4.949 -3.088 -19.747 1.00 63.34 C ATOM 841 CG LYS A 57 -4.204 -3.632 -20.963 1.00 73.43 C ATOM 842 CD LYS A 57 -5.127 -4.371 -21.918 1.00 2.22 C ATOM 843 CE LYS A 57 -6.146 -3.441 -22.575 1.00 3.40 C ATOM 844 NZ LYS A 57 -5.496 -2.370 -23.381 1.00 23.43 N ATOM 0 H LYS A 57 -3.127 -3.629 -17.855 1.00 32.20 H new ATOM 0 HA LYS A 57 -3.798 -1.294 -19.530 1.00 13.51 H new ATOM 0 HB2 LYS A 57 -5.267 -3.924 -19.123 1.00 63.34 H new ATOM 0 HB3 LYS A 57 -5.853 -2.580 -20.084 1.00 63.34 H new ATOM 0 HG2 LYS A 57 -3.722 -2.809 -21.490 1.00 73.43 H new ATOM 0 HG3 LYS A 57 -3.413 -4.305 -20.631 1.00 73.43 H new ATOM 0 HD2 LYS A 57 -4.532 -4.858 -22.690 1.00 2.22 H new ATOM 0 HD3 LYS A 57 -5.652 -5.158 -21.376 1.00 2.22 H new ATOM 0 HE2 LYS A 57 -6.807 -4.025 -23.216 1.00 3.40 H new ATOM 0 HE3 LYS A 57 -6.769 -2.986 -21.805 1.00 3.40 H new ATOM 0 HZ1 LYS A 57 -6.209 -1.904 -23.978 1.00 23.43 H new ATOM 0 HZ2 LYS A 57 -5.066 -1.669 -22.744 1.00 23.43 H new ATOM 0 HZ3 LYS A 57 -4.759 -2.788 -23.984 1.00 23.43 H new ATOM 858 N MET A 58 -5.050 -0.245 -17.743 1.00 33.00 N ATOM 859 CA MET A 58 -5.881 0.475 -16.795 1.00 71.31 C ATOM 860 C MET A 58 -7.281 0.610 -17.354 1.00 52.31 C ATOM 861 O MET A 58 -7.440 0.824 -18.560 1.00 24.34 O ATOM 862 CB MET A 58 -5.305 1.864 -16.549 1.00 75.54 C ATOM 863 CG MET A 58 -3.921 1.854 -15.936 1.00 71.20 C ATOM 864 SD MET A 58 -3.231 3.502 -15.740 1.00 44.13 S ATOM 865 CE MET A 58 -3.022 4.006 -17.447 1.00 62.00 C ATOM 0 H MET A 58 -4.538 0.361 -18.384 1.00 33.00 H new ATOM 0 HA MET A 58 -5.909 -0.076 -15.855 1.00 71.31 H new ATOM 0 HB2 MET A 58 -5.269 2.404 -17.495 1.00 75.54 H new ATOM 0 HB3 MET A 58 -5.979 2.415 -15.893 1.00 75.54 H new ATOM 0 HG2 MET A 58 -3.964 1.365 -14.963 1.00 71.20 H new ATOM 0 HG3 MET A 58 -3.256 1.259 -16.562 1.00 71.20 H new ATOM 0 HE1 MET A 58 -1.962 4.147 -17.657 1.00 62.00 H new ATOM 0 HE2 MET A 58 -3.423 3.236 -18.106 1.00 62.00 H new ATOM 0 HE3 MET A 58 -3.554 4.942 -17.618 1.00 62.00 H new ATOM 875 N VAL A 59 -8.296 0.493 -16.499 1.00 33.05 N ATOM 876 CA VAL A 59 -9.672 0.623 -16.973 1.00 61.03 C ATOM 877 C VAL A 59 -10.071 2.100 -17.052 1.00 64.14 C ATOM 878 O VAL A 59 -10.948 2.469 -17.827 1.00 35.12 O ATOM 879 CB VAL A 59 -10.719 -0.209 -16.146 1.00 12.42 C ATOM 880 CG1 VAL A 59 -10.215 -1.626 -15.887 1.00 34.30 C ATOM 881 CG2 VAL A 59 -11.126 0.457 -14.834 1.00 63.34 C ATOM 0 H VAL A 59 -8.197 0.313 -15.500 1.00 33.05 H new ATOM 0 HA VAL A 59 -9.691 0.190 -17.973 1.00 61.03 H new ATOM 0 HB VAL A 59 -11.615 -0.254 -16.764 1.00 12.42 H new ATOM 0 HG11 VAL A 59 -10.960 -2.178 -15.313 1.00 34.30 H new ATOM 0 HG12 VAL A 59 -10.043 -2.130 -16.838 1.00 34.30 H new ATOM 0 HG13 VAL A 59 -9.282 -1.583 -15.325 1.00 34.30 H new ATOM 0 HG21 VAL A 59 -11.850 -0.172 -14.316 1.00 63.34 H new ATOM 0 HG22 VAL A 59 -10.246 0.590 -14.205 1.00 63.34 H new ATOM 0 HG23 VAL A 59 -11.573 1.429 -15.043 1.00 63.34 H new ATOM 891 N GLU A 60 -9.373 2.933 -16.273 1.00 20.14 N ATOM 892 CA GLU A 60 -9.612 4.371 -16.236 1.00 11.35 C ATOM 893 C GLU A 60 -8.284 5.109 -16.306 1.00 34.00 C ATOM 894 O GLU A 60 -7.356 4.811 -15.555 1.00 13.14 O ATOM 895 CB GLU A 60 -10.377 4.782 -14.965 1.00 44.44 C ATOM 896 CG GLU A 60 -11.831 4.322 -14.924 1.00 44.32 C ATOM 897 CD GLU A 60 -12.713 5.055 -15.912 1.00 23.11 C ATOM 898 OE1 GLU A 60 -12.746 4.680 -17.100 1.00 41.15 O ATOM 899 OE2 GLU A 60 -13.386 6.016 -15.499 1.00 74.34 O ATOM 0 H GLU A 60 -8.626 2.624 -15.651 1.00 20.14 H new ATOM 0 HA GLU A 60 -10.227 4.637 -17.095 1.00 11.35 H new ATOM 0 HB2 GLU A 60 -9.857 4.378 -14.097 1.00 44.44 H new ATOM 0 HB3 GLU A 60 -10.350 5.868 -14.876 1.00 44.44 H new ATOM 0 HG2 GLU A 60 -11.874 3.253 -15.131 1.00 44.32 H new ATOM 0 HG3 GLU A 60 -12.224 4.467 -13.918 1.00 44.32 H new ATOM 906 N TYR A 61 -8.186 6.071 -17.208 1.00 12.43 N ATOM 907 CA TYR A 61 -6.939 6.813 -17.387 1.00 62.15 C ATOM 908 C TYR A 61 -6.890 8.054 -16.490 1.00 4.31 C ATOM 909 O TYR A 61 -5.838 8.687 -16.349 1.00 23.41 O ATOM 910 CB TYR A 61 -6.746 7.206 -18.854 1.00 44.55 C ATOM 911 CG TYR A 61 -6.779 6.033 -19.810 1.00 31.15 C ATOM 912 CD1 TYR A 61 -5.861 4.992 -19.706 1.00 52.22 C ATOM 913 CD2 TYR A 61 -7.729 5.969 -20.817 1.00 21.00 C ATOM 914 CE1 TYR A 61 -5.895 3.921 -20.579 1.00 63.23 C ATOM 915 CE2 TYR A 61 -7.770 4.904 -21.691 1.00 11.24 C ATOM 916 CZ TYR A 61 -6.853 3.882 -21.569 1.00 42.23 C ATOM 917 OH TYR A 61 -6.899 2.824 -22.440 1.00 62.13 O ATOM 0 H TYR A 61 -8.945 6.359 -17.825 1.00 12.43 H new ATOM 0 HA TYR A 61 -6.121 6.155 -17.092 1.00 62.15 H new ATOM 0 HB2 TYR A 61 -7.525 7.915 -19.136 1.00 44.55 H new ATOM 0 HB3 TYR A 61 -5.792 7.722 -18.960 1.00 44.55 H new ATOM 0 HD1 TYR A 61 -5.110 5.022 -18.931 1.00 52.22 H new ATOM 0 HD2 TYR A 61 -8.449 6.767 -20.919 1.00 21.00 H new ATOM 0 HE1 TYR A 61 -5.176 3.120 -20.486 1.00 63.23 H new ATOM 0 HE2 TYR A 61 -8.518 4.870 -22.469 1.00 11.24 H new ATOM 0 HH TYR A 61 -7.635 2.954 -23.074 1.00 62.13 H new ATOM 927 N GLY A 62 -8.034 8.384 -15.879 1.00 72.11 N ATOM 928 CA GLY A 62 -8.109 9.496 -14.949 1.00 62.30 C ATOM 929 C GLY A 62 -7.517 9.160 -13.597 1.00 10.54 C ATOM 930 O GLY A 62 -6.726 9.932 -13.059 1.00 72.24 O ATOM 0 H GLY A 62 -8.916 7.891 -16.018 1.00 72.11 H new ATOM 0 HA2 GLY A 62 -7.584 10.353 -15.369 1.00 62.30 H new ATOM 0 HA3 GLY A 62 -9.151 9.791 -14.823 1.00 62.30 H new ATOM 934 N GLY A 63 -7.871 7.987 -13.067 1.00 65.02 N ATOM 935 CA GLY A 63 -7.378 7.566 -11.764 1.00 25.35 C ATOM 936 C GLY A 63 -6.144 6.691 -11.856 1.00 51.41 C ATOM 937 O GLY A 63 -6.109 5.604 -11.287 1.00 12.13 O ATOM 0 H GLY A 63 -8.494 7.319 -13.521 1.00 65.02 H new ATOM 0 HA2 GLY A 63 -7.148 8.448 -11.166 1.00 25.35 H new ATOM 0 HA3 GLY A 63 -8.165 7.022 -11.242 1.00 25.35 H new ATOM 941 N ALA A 64 -5.133 7.180 -12.573 1.00 54.22 N ATOM 942 CA ALA A 64 -3.898 6.429 -12.799 1.00 2.02 C ATOM 943 C ALA A 64 -2.813 6.794 -11.790 1.00 10.33 C ATOM 944 O ALA A 64 -1.898 6.017 -11.530 1.00 43.43 O ATOM 945 CB ALA A 64 -3.400 6.671 -14.212 1.00 3.25 C ATOM 0 H ALA A 64 -5.146 8.101 -13.011 1.00 54.22 H new ATOM 0 HA ALA A 64 -4.124 5.371 -12.665 1.00 2.02 H new ATOM 0 HB1 ALA A 64 -2.480 6.109 -14.375 1.00 3.25 H new ATOM 0 HB2 ALA A 64 -4.156 6.343 -14.925 1.00 3.25 H new ATOM 0 HB3 ALA A 64 -3.205 7.734 -14.352 1.00 3.25 H new ATOM 951 N GLN A 65 -2.950 7.977 -11.212 1.00 64.12 N ATOM 952 CA GLN A 65 -2.002 8.517 -10.231 1.00 22.13 C ATOM 953 C GLN A 65 -2.359 8.090 -8.801 1.00 15.41 C ATOM 954 O GLN A 65 -1.655 8.429 -7.854 1.00 24.34 O ATOM 955 CB GLN A 65 -1.955 10.065 -10.338 1.00 24.20 C ATOM 956 CG GLN A 65 -3.278 10.723 -10.776 1.00 54.41 C ATOM 957 CD GLN A 65 -4.421 10.568 -9.782 1.00 24.32 C ATOM 958 OE1 GLN A 65 -4.237 10.643 -8.567 1.00 72.14 O ATOM 959 NE2 GLN A 65 -5.591 10.261 -10.304 1.00 73.01 N ATOM 0 H GLN A 65 -3.731 8.603 -11.409 1.00 64.12 H new ATOM 0 HA GLN A 65 -1.017 8.110 -10.457 1.00 22.13 H new ATOM 0 HB2 GLN A 65 -1.665 10.473 -9.370 1.00 24.20 H new ATOM 0 HB3 GLN A 65 -1.175 10.343 -11.047 1.00 24.20 H new ATOM 0 HG2 GLN A 65 -3.102 11.785 -10.945 1.00 54.41 H new ATOM 0 HG3 GLN A 65 -3.583 10.295 -11.731 1.00 54.41 H new ATOM 0 HE21 GLN A 65 -5.700 10.210 -11.317 1.00 73.01 H new ATOM 0 HE22 GLN A 65 -6.388 10.075 -9.695 1.00 73.01 H new ATOM 968 N ALA A 66 -3.451 7.334 -8.667 1.00 54.00 N ATOM 969 CA ALA A 66 -4.046 7.038 -7.368 1.00 13.53 C ATOM 970 C ALA A 66 -3.696 5.635 -6.863 1.00 13.02 C ATOM 971 O ALA A 66 -4.161 5.215 -5.796 1.00 43.22 O ATOM 972 CB ALA A 66 -5.546 7.216 -7.467 1.00 11.15 C ATOM 0 H ALA A 66 -3.944 6.913 -9.454 1.00 54.00 H new ATOM 0 HA ALA A 66 -3.632 7.733 -6.637 1.00 13.53 H new ATOM 0 HB1 ALA A 66 -6.003 6.998 -6.502 1.00 11.15 H new ATOM 0 HB2 ALA A 66 -5.772 8.244 -7.751 1.00 11.15 H new ATOM 0 HB3 ALA A 66 -5.944 6.535 -8.219 1.00 11.15 H new ATOM 978 N GLU A 67 -2.869 4.933 -7.624 1.00 64.03 N ATOM 979 CA GLU A 67 -2.397 3.604 -7.249 1.00 11.35 C ATOM 980 C GLU A 67 -0.890 3.629 -6.942 1.00 64.04 C ATOM 981 O GLU A 67 -0.199 4.621 -7.222 1.00 34.02 O ATOM 982 CB GLU A 67 -2.720 2.593 -8.361 1.00 32.24 C ATOM 983 CG GLU A 67 -2.246 3.020 -9.741 1.00 44.23 C ATOM 984 CD GLU A 67 -1.382 1.977 -10.397 1.00 40.01 C ATOM 985 OE1 GLU A 67 -0.450 1.470 -9.737 1.00 55.24 O ATOM 986 OE2 GLU A 67 -1.592 1.690 -11.588 1.00 61.42 O ATOM 0 H GLU A 67 -2.506 5.266 -8.517 1.00 64.03 H new ATOM 0 HA GLU A 67 -2.915 3.291 -6.342 1.00 11.35 H new ATOM 0 HB2 GLU A 67 -2.263 1.635 -8.111 1.00 32.24 H new ATOM 0 HB3 GLU A 67 -3.798 2.434 -8.391 1.00 32.24 H new ATOM 0 HG2 GLU A 67 -3.111 3.222 -10.373 1.00 44.23 H new ATOM 0 HG3 GLU A 67 -1.687 3.952 -9.658 1.00 44.23 H new ATOM 993 N TRP A 68 -0.388 2.539 -6.363 1.00 1.51 N ATOM 994 CA TRP A 68 1.017 2.445 -5.958 1.00 72.34 C ATOM 995 C TRP A 68 1.894 1.952 -7.106 1.00 25.45 C ATOM 996 O TRP A 68 1.919 0.756 -7.412 1.00 23.33 O ATOM 997 CB TRP A 68 1.172 1.511 -4.745 1.00 74.11 C ATOM 998 CG TRP A 68 0.209 1.808 -3.636 1.00 60.23 C ATOM 999 CD1 TRP A 68 -0.775 0.993 -3.173 1.00 31.12 C ATOM 1000 CD2 TRP A 68 0.123 3.015 -2.871 1.00 22.24 C ATOM 1001 NE1 TRP A 68 -1.480 1.626 -2.176 1.00 52.55 N ATOM 1002 CE2 TRP A 68 -0.947 2.868 -1.978 1.00 35.41 C ATOM 1003 CE3 TRP A 68 0.842 4.207 -2.859 1.00 14.23 C ATOM 1004 CZ2 TRP A 68 -1.311 3.868 -1.089 1.00 2.21 C ATOM 1005 CZ3 TRP A 68 0.483 5.191 -1.976 1.00 42.34 C ATOM 1006 CH2 TRP A 68 -0.587 5.023 -1.104 1.00 41.32 C ATOM 0 H TRP A 68 -0.936 1.703 -6.162 1.00 1.51 H new ATOM 0 HA TRP A 68 1.345 3.447 -5.680 1.00 72.34 H new ATOM 0 HB2 TRP A 68 1.033 0.480 -5.070 1.00 74.11 H new ATOM 0 HB3 TRP A 68 2.190 1.590 -4.363 1.00 74.11 H new ATOM 0 HD1 TRP A 68 -0.974 -0.005 -3.535 1.00 31.12 H new ATOM 0 HE1 TRP A 68 -2.272 1.232 -1.667 1.00 52.55 H new ATOM 0 HE3 TRP A 68 1.671 4.354 -3.536 1.00 14.23 H new ATOM 0 HZ2 TRP A 68 -2.139 3.736 -0.408 1.00 2.21 H new ATOM 0 HZ3 TRP A 68 1.042 6.115 -1.957 1.00 42.34 H new ATOM 0 HH2 TRP A 68 -0.849 5.822 -0.426 1.00 41.32 H new ATOM 1017 N HIS A 69 2.599 2.883 -7.751 1.00 73.21 N ATOM 1018 CA HIS A 69 3.513 2.524 -8.838 1.00 45.14 C ATOM 1019 C HIS A 69 4.747 3.426 -8.894 1.00 74.25 C ATOM 1020 O HIS A 69 5.829 2.958 -9.236 1.00 63.11 O ATOM 1021 CB HIS A 69 2.799 2.465 -10.215 1.00 50.11 C ATOM 1022 CG HIS A 69 2.175 3.740 -10.731 1.00 13.10 C ATOM 1023 ND1 HIS A 69 2.530 4.306 -11.930 1.00 21.25 N ATOM 1024 CD2 HIS A 69 1.176 4.511 -10.240 1.00 4.43 C ATOM 1025 CE1 HIS A 69 1.780 5.366 -12.152 1.00 74.20 C ATOM 1026 NE2 HIS A 69 0.951 5.514 -11.146 1.00 34.21 N ATOM 0 H HIS A 69 2.556 3.881 -7.543 1.00 73.21 H new ATOM 0 HA HIS A 69 3.863 1.518 -8.609 1.00 45.14 H new ATOM 0 HB2 HIS A 69 3.522 2.121 -10.955 1.00 50.11 H new ATOM 0 HB3 HIS A 69 2.017 1.707 -10.157 1.00 50.11 H new ATOM 0 HD2 HIS A 69 0.653 4.363 -9.307 1.00 4.43 H new ATOM 0 HE1 HIS A 69 1.838 6.007 -13.019 1.00 74.20 H new ATOM 0 HE2 HIS A 69 0.254 6.253 -11.054 1.00 34.21 H new ATOM 1035 N GLU A 70 4.597 4.710 -8.569 1.00 64.30 N ATOM 1036 CA GLU A 70 5.726 5.637 -8.654 1.00 61.22 C ATOM 1037 C GLU A 70 5.931 6.414 -7.365 1.00 42.23 C ATOM 1038 O GLU A 70 6.958 6.263 -6.723 1.00 54.22 O ATOM 1039 CB GLU A 70 5.555 6.605 -9.823 1.00 13.43 C ATOM 1040 CG GLU A 70 5.738 5.969 -11.188 1.00 62.22 C ATOM 1041 CD GLU A 70 5.475 6.937 -12.316 1.00 60.14 C ATOM 1042 OE1 GLU A 70 6.112 8.008 -12.348 1.00 73.11 O ATOM 1043 OE2 GLU A 70 4.641 6.619 -13.180 1.00 75.43 O ATOM 0 H GLU A 70 3.722 5.127 -8.250 1.00 64.30 H new ATOM 0 HA GLU A 70 6.615 5.029 -8.822 1.00 61.22 H new ATOM 0 HB2 GLU A 70 4.560 7.048 -9.771 1.00 13.43 H new ATOM 0 HB3 GLU A 70 6.272 7.419 -9.714 1.00 13.43 H new ATOM 0 HG2 GLU A 70 6.754 5.584 -11.273 1.00 62.22 H new ATOM 0 HG3 GLU A 70 5.066 5.116 -11.281 1.00 62.22 H new ATOM 1050 N GLN A 71 4.926 7.207 -6.960 1.00 53.11 N ATOM 1051 CA GLN A 71 5.044 8.105 -5.788 1.00 3.30 C ATOM 1052 C GLN A 71 4.960 7.367 -4.449 1.00 54.55 C ATOM 1053 O GLN A 71 5.144 7.969 -3.383 1.00 24.21 O ATOM 1054 CB GLN A 71 4.004 9.222 -5.851 1.00 50.32 C ATOM 1055 CG GLN A 71 4.194 10.155 -7.043 1.00 52.42 C ATOM 1056 CD GLN A 71 5.595 10.749 -7.133 1.00 72.21 C ATOM 1057 OE1 GLN A 71 6.483 10.185 -7.774 1.00 63.13 O ATOM 1058 NE2 GLN A 71 5.799 11.898 -6.514 1.00 11.10 N ATOM 0 H GLN A 71 4.019 7.248 -7.425 1.00 53.11 H new ATOM 0 HA GLN A 71 6.041 8.542 -5.839 1.00 3.30 H new ATOM 0 HB2 GLN A 71 3.009 8.780 -5.899 1.00 50.32 H new ATOM 0 HB3 GLN A 71 4.050 9.805 -4.931 1.00 50.32 H new ATOM 0 HG2 GLN A 71 3.981 9.607 -7.961 1.00 52.42 H new ATOM 0 HG3 GLN A 71 3.468 10.965 -6.979 1.00 52.42 H new ATOM 0 HE21 GLN A 71 5.041 12.338 -5.992 1.00 11.10 H new ATOM 0 HE22 GLN A 71 6.714 12.346 -6.558 1.00 11.10 H new ATOM 1067 N ALA A 72 4.692 6.062 -4.529 1.00 53.33 N ATOM 1068 CA ALA A 72 4.686 5.154 -3.390 1.00 50.15 C ATOM 1069 C ALA A 72 6.067 5.031 -2.723 1.00 31.21 C ATOM 1070 O ALA A 72 6.145 4.644 -1.564 1.00 1.20 O ATOM 1071 CB ALA A 72 4.201 3.797 -3.840 1.00 24.34 C ATOM 0 H ALA A 72 4.468 5.600 -5.411 1.00 53.33 H new ATOM 0 HA ALA A 72 4.012 5.567 -2.639 1.00 50.15 H new ATOM 0 HB1 ALA A 72 4.194 3.113 -2.991 1.00 24.34 H new ATOM 0 HB2 ALA A 72 3.192 3.886 -4.242 1.00 24.34 H new ATOM 0 HB3 ALA A 72 4.866 3.411 -4.612 1.00 24.34 H new ATOM 1077 N GLU A 73 7.146 5.331 -3.481 1.00 64.02 N ATOM 1078 CA GLU A 73 8.531 5.331 -2.966 1.00 45.43 C ATOM 1079 C GLU A 73 8.748 6.345 -1.818 1.00 15.54 C ATOM 1080 O GLU A 73 9.599 6.138 -0.953 1.00 41.20 O ATOM 1081 CB GLU A 73 9.529 5.617 -4.096 1.00 22.04 C ATOM 1082 CG GLU A 73 9.362 6.977 -4.759 1.00 43.15 C ATOM 1083 CD GLU A 73 10.464 7.288 -5.731 1.00 42.21 C ATOM 1084 OE1 GLU A 73 10.342 6.913 -6.908 1.00 34.52 O ATOM 1085 OE2 GLU A 73 11.459 7.915 -5.318 1.00 40.11 O ATOM 0 H GLU A 73 7.079 5.580 -4.468 1.00 64.02 H new ATOM 0 HA GLU A 73 8.705 4.334 -2.560 1.00 45.43 H new ATOM 0 HB2 GLU A 73 10.541 5.544 -3.697 1.00 22.04 H new ATOM 0 HB3 GLU A 73 9.429 4.842 -4.856 1.00 22.04 H new ATOM 0 HG2 GLU A 73 8.405 7.008 -5.280 1.00 43.15 H new ATOM 0 HG3 GLU A 73 9.332 7.750 -3.991 1.00 43.15 H new ATOM 1092 N LYS A 74 8.000 7.451 -1.835 1.00 32.52 N ATOM 1093 CA LYS A 74 8.067 8.454 -0.775 1.00 42.20 C ATOM 1094 C LYS A 74 7.360 7.946 0.480 1.00 51.30 C ATOM 1095 O LYS A 74 7.801 8.184 1.606 1.00 41.45 O ATOM 1096 CB LYS A 74 7.413 9.763 -1.248 1.00 74.31 C ATOM 1097 CG LYS A 74 8.045 10.411 -2.486 1.00 13.02 C ATOM 1098 CD LYS A 74 9.238 11.313 -2.159 1.00 63.32 C ATOM 1099 CE LYS A 74 10.496 10.536 -1.778 1.00 31.41 C ATOM 1100 NZ LYS A 74 10.968 9.657 -2.881 1.00 45.32 N ATOM 0 H LYS A 74 7.337 7.673 -2.578 1.00 32.52 H new ATOM 0 HA LYS A 74 9.114 8.642 -0.538 1.00 42.20 H new ATOM 0 HB2 LYS A 74 6.362 9.567 -1.459 1.00 74.31 H new ATOM 0 HB3 LYS A 74 7.445 10.481 -0.428 1.00 74.31 H new ATOM 0 HG2 LYS A 74 8.369 9.628 -3.172 1.00 13.02 H new ATOM 0 HG3 LYS A 74 7.288 10.997 -3.006 1.00 13.02 H new ATOM 0 HD2 LYS A 74 9.456 11.943 -3.022 1.00 63.32 H new ATOM 0 HD3 LYS A 74 8.968 11.978 -1.339 1.00 63.32 H new ATOM 0 HE2 LYS A 74 11.287 11.237 -1.510 1.00 31.41 H new ATOM 0 HE3 LYS A 74 10.294 9.931 -0.894 1.00 31.41 H new ATOM 0 HZ1 LYS A 74 10.811 8.662 -2.623 1.00 45.32 H new ATOM 0 HZ2 LYS A 74 10.441 9.877 -3.750 1.00 45.32 H new ATOM 0 HZ3 LYS A 74 11.983 9.817 -3.042 1.00 45.32 H new ATOM 1114 N VAL A 75 6.274 7.217 0.244 1.00 32.53 N ATOM 1115 CA VAL A 75 5.374 6.734 1.287 1.00 13.51 C ATOM 1116 C VAL A 75 5.997 5.571 2.094 1.00 13.52 C ATOM 1117 O VAL A 75 5.840 5.503 3.320 1.00 12.53 O ATOM 1118 CB VAL A 75 4.028 6.287 0.651 1.00 61.14 C ATOM 1119 CG1 VAL A 75 2.986 6.002 1.706 1.00 31.45 C ATOM 1120 CG2 VAL A 75 3.502 7.331 -0.325 1.00 51.41 C ATOM 0 H VAL A 75 5.989 6.940 -0.695 1.00 32.53 H new ATOM 0 HA VAL A 75 5.197 7.554 1.983 1.00 13.51 H new ATOM 0 HB VAL A 75 4.227 5.366 0.103 1.00 61.14 H new ATOM 0 HG11 VAL A 75 2.058 5.692 1.226 1.00 31.45 H new ATOM 0 HG12 VAL A 75 3.340 5.205 2.361 1.00 31.45 H new ATOM 0 HG13 VAL A 75 2.808 6.902 2.294 1.00 31.45 H new ATOM 0 HG21 VAL A 75 2.560 6.988 -0.752 1.00 51.41 H new ATOM 0 HG22 VAL A 75 3.341 8.272 0.201 1.00 51.41 H new ATOM 0 HG23 VAL A 75 4.229 7.482 -1.123 1.00 51.41 H new ATOM 1130 N GLU A 76 6.717 4.682 1.390 1.00 75.30 N ATOM 1131 CA GLU A 76 7.308 3.477 1.995 1.00 31.44 C ATOM 1132 C GLU A 76 8.398 3.808 3.030 1.00 34.04 C ATOM 1133 O GLU A 76 8.449 3.175 4.081 1.00 3.24 O ATOM 1134 CB GLU A 76 7.869 2.521 0.920 1.00 52.21 C ATOM 1135 CG GLU A 76 8.887 3.153 -0.009 1.00 2.42 C ATOM 1136 CD GLU A 76 9.753 2.154 -0.724 1.00 21.44 C ATOM 1137 OE1 GLU A 76 10.768 1.733 -0.143 1.00 43.31 O ATOM 1138 OE2 GLU A 76 9.457 1.821 -1.883 1.00 54.11 O ATOM 0 H GLU A 76 6.905 4.777 0.392 1.00 75.30 H new ATOM 0 HA GLU A 76 6.496 2.975 2.522 1.00 31.44 H new ATOM 0 HB2 GLU A 76 8.329 1.666 1.416 1.00 52.21 H new ATOM 0 HB3 GLU A 76 7.041 2.137 0.325 1.00 52.21 H new ATOM 0 HG2 GLU A 76 8.364 3.762 -0.747 1.00 2.42 H new ATOM 0 HG3 GLU A 76 9.523 3.826 0.566 1.00 2.42 H new ATOM 1145 N ALA A 77 9.234 4.822 2.731 1.00 31.12 N ATOM 1146 CA ALA A 77 10.340 5.240 3.604 1.00 3.34 C ATOM 1147 C ALA A 77 9.850 5.793 4.944 1.00 73.43 C ATOM 1148 O ALA A 77 10.507 5.617 5.974 1.00 5.02 O ATOM 1149 CB ALA A 77 11.190 6.279 2.894 1.00 23.20 C ATOM 0 H ALA A 77 9.158 5.372 1.876 1.00 31.12 H new ATOM 0 HA ALA A 77 10.937 4.354 3.820 1.00 3.34 H new ATOM 0 HB1 ALA A 77 12.009 6.586 3.545 1.00 23.20 H new ATOM 0 HB2 ALA A 77 11.596 5.852 1.977 1.00 23.20 H new ATOM 0 HB3 ALA A 77 10.576 7.146 2.650 1.00 23.20 H new ATOM 1155 N TYR A 78 8.678 6.429 4.917 1.00 21.05 N ATOM 1156 CA TYR A 78 8.078 7.023 6.105 1.00 33.43 C ATOM 1157 C TYR A 78 7.522 5.950 7.056 1.00 70.11 C ATOM 1158 O TYR A 78 7.528 6.128 8.271 1.00 64.15 O ATOM 1159 CB TYR A 78 6.982 8.003 5.702 1.00 11.12 C ATOM 1160 CG TYR A 78 6.594 8.953 6.806 1.00 53.53 C ATOM 1161 CD1 TYR A 78 7.427 10.006 7.151 1.00 30.30 C ATOM 1162 CD2 TYR A 78 5.410 8.791 7.514 1.00 73.31 C ATOM 1163 CE1 TYR A 78 7.094 10.870 8.166 1.00 3.35 C ATOM 1164 CE2 TYR A 78 5.072 9.651 8.532 1.00 21.10 C ATOM 1165 CZ TYR A 78 5.919 10.690 8.853 1.00 25.22 C ATOM 1166 OH TYR A 78 5.595 11.547 9.875 1.00 23.31 O ATOM 0 H TYR A 78 8.121 6.545 4.070 1.00 21.05 H new ATOM 0 HA TYR A 78 8.858 7.562 6.643 1.00 33.43 H new ATOM 0 HB2 TYR A 78 7.318 8.578 4.839 1.00 11.12 H new ATOM 0 HB3 TYR A 78 6.101 7.443 5.388 1.00 11.12 H new ATOM 0 HD1 TYR A 78 8.353 10.149 6.613 1.00 30.30 H new ATOM 0 HD2 TYR A 78 4.746 7.978 7.261 1.00 73.31 H new ATOM 0 HE1 TYR A 78 7.753 11.686 8.422 1.00 3.35 H new ATOM 0 HE2 TYR A 78 4.149 9.513 9.076 1.00 21.10 H new ATOM 0 HH TYR A 78 4.732 11.286 10.260 1.00 23.31 H new ATOM 1176 N LEU A 79 7.040 4.847 6.494 1.00 44.52 N ATOM 1177 CA LEU A 79 6.529 3.726 7.285 1.00 5.41 C ATOM 1178 C LEU A 79 7.683 2.983 7.985 1.00 15.32 C ATOM 1179 O LEU A 79 7.512 2.476 9.094 1.00 30.31 O ATOM 1180 CB LEU A 79 5.722 2.799 6.347 1.00 63.43 C ATOM 1181 CG LEU A 79 4.806 1.706 6.960 1.00 51.14 C ATOM 1182 CD1 LEU A 79 5.560 0.417 7.219 1.00 22.13 C ATOM 1183 CD2 LEU A 79 4.113 2.186 8.230 1.00 70.43 C ATOM 0 H LEU A 79 6.991 4.702 5.486 1.00 44.52 H new ATOM 0 HA LEU A 79 5.871 4.087 8.076 1.00 5.41 H new ATOM 0 HB2 LEU A 79 5.098 3.433 5.717 1.00 63.43 H new ATOM 0 HB3 LEU A 79 6.433 2.299 5.690 1.00 63.43 H new ATOM 0 HG LEU A 79 4.035 1.501 6.218 1.00 51.14 H new ATOM 0 HD11 LEU A 79 4.882 -0.321 7.648 1.00 22.13 H new ATOM 0 HD12 LEU A 79 5.964 0.037 6.281 1.00 22.13 H new ATOM 0 HD13 LEU A 79 6.377 0.607 7.915 1.00 22.13 H new ATOM 0 HD21 LEU A 79 3.483 1.389 8.624 1.00 70.43 H new ATOM 0 HD22 LEU A 79 4.863 2.457 8.973 1.00 70.43 H new ATOM 0 HD23 LEU A 79 3.497 3.056 8.002 1.00 70.43 H new ATOM 1195 N VAL A 80 8.853 2.945 7.337 1.00 33.40 N ATOM 1196 CA VAL A 80 10.044 2.300 7.909 1.00 12.14 C ATOM 1197 C VAL A 80 10.592 3.091 9.120 1.00 61.21 C ATOM 1198 O VAL A 80 11.019 2.494 10.103 1.00 25.32 O ATOM 1199 CB VAL A 80 11.157 2.100 6.832 1.00 34.35 C ATOM 1200 CG1 VAL A 80 12.393 1.410 7.405 1.00 54.01 C ATOM 1201 CG2 VAL A 80 10.628 1.289 5.656 1.00 12.42 C ATOM 0 H VAL A 80 9.002 3.354 6.414 1.00 33.40 H new ATOM 0 HA VAL A 80 9.736 1.316 8.263 1.00 12.14 H new ATOM 0 HB VAL A 80 11.448 3.094 6.492 1.00 34.35 H new ATOM 0 HG11 VAL A 80 13.140 1.292 6.620 1.00 54.01 H new ATOM 0 HG12 VAL A 80 12.806 2.015 8.212 1.00 54.01 H new ATOM 0 HG13 VAL A 80 12.116 0.430 7.792 1.00 54.01 H new ATOM 0 HG21 VAL A 80 11.419 1.161 4.917 1.00 12.42 H new ATOM 0 HG22 VAL A 80 10.298 0.311 6.007 1.00 12.42 H new ATOM 0 HG23 VAL A 80 9.788 1.813 5.201 1.00 12.42 H new ATOM 1211 N GLU A 81 10.551 4.423 9.071 1.00 2.32 N ATOM 1212 CA GLU A 81 11.012 5.223 10.213 1.00 52.11 C ATOM 1213 C GLU A 81 9.985 5.253 11.359 1.00 4.14 C ATOM 1214 O GLU A 81 10.371 5.283 12.529 1.00 74.23 O ATOM 1215 CB GLU A 81 11.405 6.650 9.799 1.00 31.32 C ATOM 1216 CG GLU A 81 10.324 7.416 9.052 1.00 2.13 C ATOM 1217 CD GLU A 81 10.625 8.883 8.920 1.00 73.42 C ATOM 1218 OE1 GLU A 81 11.405 9.257 8.025 1.00 21.13 O ATOM 1219 OE2 GLU A 81 10.074 9.671 9.714 1.00 31.32 O ATOM 0 H GLU A 81 10.213 4.963 8.275 1.00 2.32 H new ATOM 0 HA GLU A 81 11.907 4.725 10.586 1.00 52.11 H new ATOM 0 HB2 GLU A 81 11.677 7.211 10.693 1.00 31.32 H new ATOM 0 HB3 GLU A 81 12.295 6.600 9.172 1.00 31.32 H new ATOM 0 HG2 GLU A 81 10.203 6.985 8.058 1.00 2.13 H new ATOM 0 HG3 GLU A 81 9.374 7.291 9.571 1.00 2.13 H new ATOM 1226 N LYS A 82 8.689 5.223 11.023 1.00 13.22 N ATOM 1227 CA LYS A 82 7.632 5.330 12.030 1.00 51.23 C ATOM 1228 C LYS A 82 7.347 4.018 12.741 1.00 34.32 C ATOM 1229 O LYS A 82 6.971 4.040 13.911 1.00 44.22 O ATOM 1230 CB LYS A 82 6.338 5.856 11.398 1.00 63.15 C ATOM 1231 CG LYS A 82 6.317 7.364 11.227 1.00 35.55 C ATOM 1232 CD LYS A 82 6.357 8.052 12.577 1.00 52.43 C ATOM 1233 CE LYS A 82 6.386 9.566 12.460 1.00 44.32 C ATOM 1234 NZ LYS A 82 7.643 10.070 11.843 1.00 61.31 N ATOM 0 H LYS A 82 8.351 5.126 10.066 1.00 13.22 H new ATOM 0 HA LYS A 82 7.998 6.033 12.778 1.00 51.23 H new ATOM 0 HB2 LYS A 82 6.202 5.386 10.424 1.00 63.15 H new ATOM 0 HB3 LYS A 82 5.493 5.557 12.018 1.00 63.15 H new ATOM 0 HG2 LYS A 82 7.170 7.680 10.626 1.00 35.55 H new ATOM 0 HG3 LYS A 82 5.418 7.662 10.687 1.00 35.55 H new ATOM 0 HD2 LYS A 82 5.485 7.753 13.159 1.00 52.43 H new ATOM 0 HD3 LYS A 82 7.237 7.717 13.126 1.00 52.43 H new ATOM 0 HE2 LYS A 82 5.535 9.897 11.864 1.00 44.32 H new ATOM 0 HE3 LYS A 82 6.271 10.005 13.451 1.00 44.32 H new ATOM 0 HZ1 LYS A 82 7.997 10.881 12.389 1.00 61.31 H new ATOM 0 HZ2 LYS A 82 8.357 9.314 11.844 1.00 61.31 H new ATOM 0 HZ3 LYS A 82 7.454 10.367 10.864 1.00 61.31 H new ATOM 1248 N GLN A 83 7.513 2.892 12.010 1.00 74.12 N ATOM 1249 CA GLN A 83 7.281 1.513 12.514 1.00 64.11 C ATOM 1250 C GLN A 83 5.813 1.249 12.863 1.00 54.20 C ATOM 1251 O GLN A 83 5.486 0.211 13.440 1.00 61.45 O ATOM 1252 CB GLN A 83 8.161 1.204 13.741 1.00 73.12 C ATOM 1253 CG GLN A 83 9.644 1.180 13.444 1.00 41.05 C ATOM 1254 CD GLN A 83 10.040 -0.012 12.618 1.00 13.43 C ATOM 1255 OE1 GLN A 83 10.371 -1.063 13.148 1.00 4.15 O ATOM 1256 NE2 GLN A 83 10.009 0.145 11.319 1.00 1.24 N ATOM 0 H GLN A 83 7.817 2.913 11.037 1.00 74.12 H new ATOM 0 HA GLN A 83 7.558 0.849 11.695 1.00 64.11 H new ATOM 0 HB2 GLN A 83 7.967 1.950 14.511 1.00 73.12 H new ATOM 0 HB3 GLN A 83 7.867 0.238 14.152 1.00 73.12 H new ATOM 0 HG2 GLN A 83 9.922 2.093 12.917 1.00 41.05 H new ATOM 0 HG3 GLN A 83 10.200 1.171 14.381 1.00 41.05 H new ATOM 0 HE21 GLN A 83 9.726 1.040 10.920 1.00 1.24 H new ATOM 0 HE22 GLN A 83 10.268 -0.628 10.706 1.00 1.24 H new ATOM 1265 N ASP A 84 4.931 2.149 12.459 1.00 42.43 N ATOM 1266 CA ASP A 84 3.567 2.131 12.928 1.00 54.35 C ATOM 1267 C ASP A 84 2.609 2.446 11.781 1.00 3.22 C ATOM 1268 O ASP A 84 2.691 3.518 11.177 1.00 34.15 O ATOM 1269 CB ASP A 84 3.407 3.138 14.071 1.00 32.01 C ATOM 1270 CG ASP A 84 2.141 2.914 14.848 1.00 14.43 C ATOM 1271 OD1 ASP A 84 1.088 3.399 14.419 1.00 30.44 O ATOM 1272 OD2 ASP A 84 2.199 2.245 15.896 1.00 71.10 O ATOM 0 H ASP A 84 5.143 2.902 11.804 1.00 42.43 H new ATOM 0 HA ASP A 84 3.324 1.137 13.302 1.00 54.35 H new ATOM 0 HB2 ASP A 84 4.262 3.062 14.743 1.00 32.01 H new ATOM 0 HB3 ASP A 84 3.409 4.150 13.665 1.00 32.01 H new ATOM 1277 N PRO A 85 1.688 1.503 11.468 1.00 70.23 N ATOM 1278 CA PRO A 85 0.748 1.630 10.341 1.00 63.43 C ATOM 1279 C PRO A 85 -0.483 2.518 10.608 1.00 72.42 C ATOM 1280 O PRO A 85 -1.382 2.574 9.774 1.00 14.14 O ATOM 1281 CB PRO A 85 0.305 0.186 10.124 1.00 63.30 C ATOM 1282 CG PRO A 85 0.354 -0.436 11.470 1.00 30.33 C ATOM 1283 CD PRO A 85 1.520 0.202 12.166 1.00 21.32 C ATOM 0 HA PRO A 85 1.229 2.116 9.492 1.00 63.43 H new ATOM 0 HB2 PRO A 85 -0.700 0.140 9.704 1.00 63.30 H new ATOM 0 HB3 PRO A 85 0.966 -0.329 9.427 1.00 63.30 H new ATOM 0 HG2 PRO A 85 -0.573 -0.261 12.017 1.00 30.33 H new ATOM 0 HG3 PRO A 85 0.483 -1.516 11.398 1.00 30.33 H new ATOM 0 HD2 PRO A 85 1.323 0.342 13.229 1.00 21.32 H new ATOM 0 HD3 PRO A 85 2.417 -0.412 12.087 1.00 21.32 H new ATOM 1291 N THR A 86 -0.542 3.201 11.749 1.00 60.34 N ATOM 1292 CA THR A 86 -1.670 4.090 12.032 1.00 61.22 C ATOM 1293 C THR A 86 -1.202 5.467 12.551 1.00 64.40 C ATOM 1294 O THR A 86 -2.016 6.378 12.754 1.00 73.40 O ATOM 1295 CB THR A 86 -2.696 3.420 12.997 1.00 64.11 C ATOM 1296 OG1 THR A 86 -3.859 4.238 13.161 1.00 11.04 O ATOM 1297 CG2 THR A 86 -2.103 3.112 14.360 1.00 23.44 C ATOM 0 H THR A 86 0.165 3.159 12.483 1.00 60.34 H new ATOM 0 HA THR A 86 -2.185 4.270 11.088 1.00 61.22 H new ATOM 0 HB THR A 86 -2.975 2.475 12.531 1.00 64.11 H new ATOM 0 HG1 THR A 86 -3.602 5.183 13.127 1.00 11.04 H new ATOM 0 HG21 THR A 86 -2.861 2.647 14.990 1.00 23.44 H new ATOM 0 HG22 THR A 86 -1.260 2.431 14.244 1.00 23.44 H new ATOM 0 HG23 THR A 86 -1.762 4.037 14.826 1.00 23.44 H new ATOM 1305 N ASP A 87 0.112 5.633 12.731 1.00 34.12 N ATOM 1306 CA ASP A 87 0.668 6.928 13.100 1.00 41.15 C ATOM 1307 C ASP A 87 0.884 7.756 11.842 1.00 70.34 C ATOM 1308 O ASP A 87 1.902 7.617 11.149 1.00 71.32 O ATOM 1309 CB ASP A 87 1.979 6.777 13.881 1.00 64.40 C ATOM 1310 CG ASP A 87 2.448 8.089 14.484 1.00 52.43 C ATOM 1311 OD1 ASP A 87 2.064 8.390 15.628 1.00 31.23 O ATOM 1312 OD2 ASP A 87 3.201 8.828 13.824 1.00 43.31 O ATOM 0 H ASP A 87 0.802 4.889 12.627 1.00 34.12 H new ATOM 0 HA ASP A 87 -0.039 7.437 13.756 1.00 41.15 H new ATOM 0 HB2 ASP A 87 1.843 6.043 14.675 1.00 64.40 H new ATOM 0 HB3 ASP A 87 2.751 6.389 13.217 1.00 64.40 H new ATOM 1317 N ILE A 88 -0.114 8.580 11.536 1.00 71.45 N ATOM 1318 CA ILE A 88 -0.141 9.373 10.319 1.00 1.05 C ATOM 1319 C ILE A 88 -1.296 10.392 10.405 1.00 40.53 C ATOM 1320 O ILE A 88 -2.311 10.139 11.069 1.00 53.13 O ATOM 1321 CB ILE A 88 -0.275 8.446 9.058 1.00 1.43 C ATOM 1322 CG1 ILE A 88 -0.065 9.226 7.751 1.00 51.42 C ATOM 1323 CG2 ILE A 88 -1.612 7.702 9.044 1.00 24.42 C ATOM 1324 CD1 ILE A 88 1.346 9.743 7.562 1.00 61.11 C ATOM 0 H ILE A 88 -0.931 8.714 12.132 1.00 71.45 H new ATOM 0 HA ILE A 88 0.796 9.920 10.215 1.00 1.05 H new ATOM 0 HB ILE A 88 0.518 7.702 9.127 1.00 1.43 H new ATOM 0 HG12 ILE A 88 -0.320 8.581 6.910 1.00 51.42 H new ATOM 0 HG13 ILE A 88 -0.756 10.069 7.728 1.00 51.42 H new ATOM 0 HG21 ILE A 88 -1.668 7.071 8.157 1.00 24.42 H new ATOM 0 HG22 ILE A 88 -1.692 7.081 9.936 1.00 24.42 H new ATOM 0 HG23 ILE A 88 -2.429 8.423 9.029 1.00 24.42 H new ATOM 0 HD11 ILE A 88 1.412 10.282 6.617 1.00 61.11 H new ATOM 0 HD12 ILE A 88 1.600 10.415 8.382 1.00 61.11 H new ATOM 0 HD13 ILE A 88 2.042 8.904 7.551 1.00 61.11 H new ATOM 1336 N LYS A 89 -1.117 11.554 9.785 1.00 51.00 N ATOM 1337 CA LYS A 89 -2.154 12.576 9.773 1.00 51.30 C ATOM 1338 C LYS A 89 -2.347 13.145 8.369 1.00 2.51 C ATOM 1339 O LYS A 89 -1.386 13.537 7.706 1.00 60.12 O ATOM 1340 CB LYS A 89 -1.804 13.692 10.765 1.00 1.52 C ATOM 1341 CG LYS A 89 -2.954 14.647 11.044 1.00 20.02 C ATOM 1342 CD LYS A 89 -4.132 13.931 11.689 1.00 35.44 C ATOM 1343 CE LYS A 89 -5.318 14.859 11.889 1.00 10.12 C ATOM 1344 NZ LYS A 89 -5.009 15.958 12.839 1.00 23.23 N ATOM 0 H LYS A 89 -0.265 11.810 9.286 1.00 51.00 H new ATOM 0 HA LYS A 89 -3.094 12.116 10.078 1.00 51.30 H new ATOM 0 HB2 LYS A 89 -1.481 13.243 11.704 1.00 1.52 H new ATOM 0 HB3 LYS A 89 -0.959 14.260 10.376 1.00 1.52 H new ATOM 0 HG2 LYS A 89 -2.612 15.448 11.699 1.00 20.02 H new ATOM 0 HG3 LYS A 89 -3.276 15.112 10.112 1.00 20.02 H new ATOM 0 HD2 LYS A 89 -4.431 13.089 11.065 1.00 35.44 H new ATOM 0 HD3 LYS A 89 -3.825 13.521 12.651 1.00 35.44 H new ATOM 0 HE2 LYS A 89 -5.614 15.282 10.929 1.00 10.12 H new ATOM 0 HE3 LYS A 89 -6.168 14.287 12.261 1.00 10.12 H new ATOM 0 HZ1 LYS A 89 -5.879 16.487 13.052 1.00 23.23 H new ATOM 0 HZ2 LYS A 89 -4.622 15.559 13.718 1.00 23.23 H new ATOM 0 HZ3 LYS A 89 -4.309 16.599 12.413 1.00 23.23 H new ATOM 1358 N TYR A 90 -3.603 13.179 7.927 1.00 11.31 N ATOM 1359 CA TYR A 90 -3.953 13.717 6.613 1.00 11.15 C ATOM 1360 C TYR A 90 -4.745 15.001 6.773 1.00 33.43 C ATOM 1361 O TYR A 90 -5.482 15.167 7.750 1.00 42.30 O ATOM 1362 CB TYR A 90 -4.780 12.715 5.791 1.00 13.34 C ATOM 1363 CG TYR A 90 -4.206 11.323 5.784 1.00 10.00 C ATOM 1364 CD1 TYR A 90 -3.042 11.040 5.094 1.00 32.00 C ATOM 1365 CD2 TYR A 90 -4.816 10.304 6.494 1.00 23.22 C ATOM 1366 CE1 TYR A 90 -2.503 9.777 5.101 1.00 33.20 C ATOM 1367 CE2 TYR A 90 -4.280 9.037 6.515 1.00 21.52 C ATOM 1368 CZ TYR A 90 -3.123 8.781 5.818 1.00 41.42 C ATOM 1369 OH TYR A 90 -2.588 7.521 5.830 1.00 23.44 O ATOM 0 H TYR A 90 -4.400 12.838 8.464 1.00 11.31 H new ATOM 0 HA TYR A 90 -3.022 13.914 6.081 1.00 11.15 H new ATOM 0 HB2 TYR A 90 -5.794 12.679 6.190 1.00 13.34 H new ATOM 0 HB3 TYR A 90 -4.854 13.074 4.764 1.00 13.34 H new ATOM 0 HD1 TYR A 90 -2.548 11.825 4.540 1.00 32.00 H new ATOM 0 HD2 TYR A 90 -5.726 10.506 7.040 1.00 23.22 H new ATOM 0 HE1 TYR A 90 -1.599 9.568 4.548 1.00 33.20 H new ATOM 0 HE2 TYR A 90 -4.764 8.250 7.074 1.00 21.52 H new ATOM 0 HH TYR A 90 -2.231 7.309 4.942 1.00 23.44 H new ATOM 1379 N LYS A 91 -4.570 15.918 5.828 1.00 71.41 N ATOM 1380 CA LYS A 91 -5.311 17.176 5.842 1.00 70.31 C ATOM 1381 C LYS A 91 -5.753 17.607 4.440 1.00 12.10 C ATOM 1382 O LYS A 91 -5.174 18.519 3.851 1.00 2.31 O ATOM 1383 CB LYS A 91 -4.458 18.309 6.490 1.00 42.23 C ATOM 1384 CG LYS A 91 -2.924 18.069 6.582 1.00 72.04 C ATOM 1385 CD LYS A 91 -2.181 18.007 5.234 1.00 0.45 C ATOM 1386 CE LYS A 91 -2.196 19.334 4.493 1.00 15.22 C ATOM 1387 NZ LYS A 91 -1.118 19.422 3.488 1.00 35.21 N ATOM 0 H LYS A 91 -3.924 15.816 5.045 1.00 71.41 H new ATOM 0 HA LYS A 91 -6.207 17.005 6.438 1.00 70.31 H new ATOM 0 HB2 LYS A 91 -4.625 19.225 5.924 1.00 42.23 H new ATOM 0 HB3 LYS A 91 -4.835 18.484 7.498 1.00 42.23 H new ATOM 0 HG2 LYS A 91 -2.485 18.865 7.183 1.00 72.04 H new ATOM 0 HG3 LYS A 91 -2.751 17.134 7.116 1.00 72.04 H new ATOM 0 HD2 LYS A 91 -1.148 17.704 5.407 1.00 0.45 H new ATOM 0 HD3 LYS A 91 -2.637 17.241 4.607 1.00 0.45 H new ATOM 0 HE2 LYS A 91 -3.160 19.463 4.002 1.00 15.22 H new ATOM 0 HE3 LYS A 91 -2.091 20.149 5.209 1.00 15.22 H new ATOM 0 HZ1 LYS A 91 -1.336 20.180 2.810 1.00 35.21 H new ATOM 0 HZ2 LYS A 91 -0.217 19.631 3.963 1.00 35.21 H new ATOM 0 HZ3 LYS A 91 -1.041 18.517 2.982 1.00 35.21 H new ATOM 1401 N ASP A 92 -6.781 16.939 3.907 1.00 2.40 N ATOM 1402 CA ASP A 92 -7.496 17.385 2.700 1.00 50.15 C ATOM 1403 C ASP A 92 -8.795 16.571 2.559 1.00 62.32 C ATOM 1404 O ASP A 92 -9.277 15.995 3.538 1.00 12.33 O ATOM 1405 CB ASP A 92 -6.608 17.269 1.431 1.00 32.11 C ATOM 1406 CG ASP A 92 -6.333 15.853 1.000 1.00 45.24 C ATOM 1407 OD1 ASP A 92 -6.094 15.000 1.858 1.00 52.35 O ATOM 1408 OD2 ASP A 92 -6.374 15.593 -0.212 1.00 3.02 O ATOM 0 H ASP A 92 -7.144 16.070 4.300 1.00 2.40 H new ATOM 0 HA ASP A 92 -7.745 18.441 2.803 1.00 50.15 H new ATOM 0 HB2 ASP A 92 -7.093 17.799 0.611 1.00 32.11 H new ATOM 0 HB3 ASP A 92 -5.659 17.771 1.618 1.00 32.11 H new ATOM 1413 N ASN A 93 -9.341 16.523 1.342 1.00 12.42 N ATOM 1414 CA ASN A 93 -10.542 15.745 1.033 1.00 61.02 C ATOM 1415 C ASN A 93 -10.222 14.348 0.442 1.00 41.14 C ATOM 1416 O ASN A 93 -11.103 13.720 -0.143 1.00 42.21 O ATOM 1417 CB ASN A 93 -11.417 16.533 0.039 1.00 14.04 C ATOM 1418 CG ASN A 93 -12.175 17.694 0.668 1.00 73.11 C ATOM 1419 OD1 ASN A 93 -11.769 18.261 1.679 1.00 74.01 O ATOM 1420 ND2 ASN A 93 -13.276 18.076 0.050 1.00 41.34 N ATOM 0 H ASN A 93 -8.961 17.025 0.540 1.00 12.42 H new ATOM 0 HA ASN A 93 -11.071 15.582 1.972 1.00 61.02 H new ATOM 0 HB2 ASN A 93 -10.784 16.916 -0.762 1.00 14.04 H new ATOM 0 HB3 ASN A 93 -12.133 15.851 -0.419 1.00 14.04 H new ATOM 0 HD21 ASN A 93 -13.816 18.863 0.410 1.00 41.34 H new ATOM 0 HD22 ASN A 93 -13.587 17.585 -0.788 1.00 41.34 H new ATOM 1427 N ASP A 94 -8.987 13.840 0.602 1.00 51.41 N ATOM 1428 CA ASP A 94 -8.625 12.537 0.014 1.00 42.11 C ATOM 1429 C ASP A 94 -7.832 11.686 0.988 1.00 73.13 C ATOM 1430 O ASP A 94 -8.266 10.606 1.377 1.00 61.13 O ATOM 1431 CB ASP A 94 -7.791 12.709 -1.266 1.00 33.41 C ATOM 1432 CG ASP A 94 -8.451 12.123 -2.490 1.00 5.23 C ATOM 1433 OD1 ASP A 94 -8.547 10.880 -2.592 1.00 20.32 O ATOM 1434 OD2 ASP A 94 -8.878 12.907 -3.353 1.00 55.30 O ATOM 0 H ASP A 94 -8.238 14.299 1.121 1.00 51.41 H new ATOM 0 HA ASP A 94 -9.565 12.039 -0.225 1.00 42.11 H new ATOM 0 HB2 ASP A 94 -7.609 13.771 -1.433 1.00 33.41 H new ATOM 0 HB3 ASP A 94 -6.819 12.237 -1.124 1.00 33.41 H new ATOM 1439 N GLY A 95 -6.670 12.192 1.368 1.00 51.41 N ATOM 1440 CA GLY A 95 -5.730 11.436 2.164 1.00 3.12 C ATOM 1441 C GLY A 95 -4.297 11.847 1.884 1.00 15.35 C ATOM 1442 O GLY A 95 -3.403 11.017 1.862 1.00 51.13 O ATOM 0 H GLY A 95 -6.357 13.134 1.132 1.00 51.41 H new ATOM 0 HA2 GLY A 95 -5.950 11.581 3.222 1.00 3.12 H new ATOM 0 HA3 GLY A 95 -5.850 10.373 1.957 1.00 3.12 H new ATOM 1446 N HIS A 96 -4.088 13.134 1.676 1.00 15.41 N ATOM 1447 CA HIS A 96 -2.763 13.700 1.485 1.00 62.11 C ATOM 1448 C HIS A 96 -2.185 14.094 2.824 1.00 74.05 C ATOM 1449 O HIS A 96 -2.865 14.692 3.657 1.00 60.14 O ATOM 1450 CB HIS A 96 -2.807 14.927 0.569 1.00 73.11 C ATOM 1451 CG HIS A 96 -2.884 14.596 -0.892 1.00 4.21 C ATOM 1452 ND1 HIS A 96 -4.059 14.644 -1.599 1.00 71.14 N ATOM 1453 CD2 HIS A 96 -1.931 14.220 -1.781 1.00 60.41 C ATOM 1454 CE1 HIS A 96 -3.841 14.314 -2.851 1.00 54.00 C ATOM 1455 NE2 HIS A 96 -2.557 14.052 -2.992 1.00 12.24 N ATOM 0 H HIS A 96 -4.839 13.823 1.634 1.00 15.41 H new ATOM 0 HA HIS A 96 -2.136 12.944 1.013 1.00 62.11 H new ATOM 0 HB2 HIS A 96 -3.669 15.538 0.838 1.00 73.11 H new ATOM 0 HB3 HIS A 96 -1.919 15.533 0.747 1.00 73.11 H new ATOM 0 HD1 HIS A 96 -4.967 14.898 -1.210 1.00 71.14 H new ATOM 0 HD2 HIS A 96 -0.880 14.079 -1.576 1.00 60.41 H new ATOM 0 HE1 HIS A 96 -4.586 14.266 -3.631 1.00 54.00 H new ATOM 1464 N THR A 97 -0.930 13.781 3.008 1.00 65.35 N ATOM 1465 CA THR A 97 -0.277 14.003 4.275 1.00 5.25 C ATOM 1466 C THR A 97 0.830 15.036 4.113 1.00 44.30 C ATOM 1467 O THR A 97 1.499 15.090 3.082 1.00 52.14 O ATOM 1468 CB THR A 97 0.253 12.672 4.877 1.00 73.53 C ATOM 1469 OG1 THR A 97 0.944 12.911 6.106 1.00 32.32 O ATOM 1470 CG2 THR A 97 1.165 11.925 3.918 1.00 21.41 C ATOM 0 H THR A 97 -0.333 13.368 2.291 1.00 65.35 H new ATOM 0 HA THR A 97 -1.006 14.397 4.983 1.00 5.25 H new ATOM 0 HB THR A 97 -0.620 12.046 5.064 1.00 73.53 H new ATOM 0 HG1 THR A 97 0.300 13.165 6.799 1.00 32.32 H new ATOM 0 HG21 THR A 97 1.508 11.003 4.386 1.00 21.41 H new ATOM 0 HG22 THR A 97 0.617 11.687 3.006 1.00 21.41 H new ATOM 0 HG23 THR A 97 2.024 12.549 3.673 1.00 21.41 H new ATOM 1478 N ASP A 98 1.000 15.874 5.126 1.00 72.21 N ATOM 1479 CA ASP A 98 2.031 16.906 5.092 1.00 43.23 C ATOM 1480 C ASP A 98 3.340 16.352 5.665 1.00 54.01 C ATOM 1481 O ASP A 98 4.408 16.957 5.539 1.00 14.44 O ATOM 1482 CB ASP A 98 1.571 18.133 5.881 1.00 22.02 C ATOM 1483 CG ASP A 98 2.175 19.414 5.348 1.00 71.34 C ATOM 1484 OD1 ASP A 98 1.606 19.985 4.403 1.00 21.24 O ATOM 1485 OD2 ASP A 98 3.222 19.849 5.859 1.00 72.34 O ATOM 0 H ASP A 98 0.441 15.861 5.979 1.00 72.21 H new ATOM 0 HA ASP A 98 2.204 17.208 4.059 1.00 43.23 H new ATOM 0 HB2 ASP A 98 0.484 18.202 5.841 1.00 22.02 H new ATOM 0 HB3 ASP A 98 1.845 18.013 6.929 1.00 22.02 H new ATOM 1490 N ALA A 99 3.235 15.167 6.266 1.00 43.44 N ATOM 1491 CA ALA A 99 4.367 14.466 6.838 1.00 3.11 C ATOM 1492 C ALA A 99 5.217 13.842 5.735 1.00 12.41 C ATOM 1493 O ALA A 99 6.442 13.870 5.795 1.00 51.22 O ATOM 1494 CB ALA A 99 3.867 13.416 7.804 1.00 11.32 C ATOM 0 H ALA A 99 2.351 14.669 6.367 1.00 43.44 H new ATOM 0 HA ALA A 99 4.997 15.170 7.382 1.00 3.11 H new ATOM 0 HB1 ALA A 99 4.716 12.886 8.237 1.00 11.32 H new ATOM 0 HB2 ALA A 99 3.295 13.895 8.599 1.00 11.32 H new ATOM 0 HB3 ALA A 99 3.229 12.708 7.274 1.00 11.32 H new ATOM 1500 N ILE A 100 4.552 13.278 4.727 1.00 54.41 N ATOM 1501 CA ILE A 100 5.226 12.888 3.496 1.00 43.52 C ATOM 1502 C ILE A 100 4.932 13.957 2.449 1.00 44.23 C ATOM 1503 O ILE A 100 3.901 13.905 1.772 1.00 14.23 O ATOM 1504 CB ILE A 100 4.778 11.506 2.966 1.00 25.14 C ATOM 1505 CG1 ILE A 100 4.681 10.490 4.108 1.00 1.32 C ATOM 1506 CG2 ILE A 100 5.770 11.022 1.912 1.00 24.35 C ATOM 1507 CD1 ILE A 100 3.944 9.220 3.745 1.00 71.34 C ATOM 0 H ILE A 100 3.551 13.083 4.741 1.00 54.41 H new ATOM 0 HA ILE A 100 6.293 12.803 3.704 1.00 43.52 H new ATOM 0 HB ILE A 100 3.789 11.604 2.517 1.00 25.14 H new ATOM 0 HG12 ILE A 100 5.688 10.232 4.436 1.00 1.32 H new ATOM 0 HG13 ILE A 100 4.180 10.959 4.955 1.00 1.32 H new ATOM 0 HG21 ILE A 100 5.456 10.048 1.537 1.00 24.35 H new ATOM 0 HG22 ILE A 100 5.802 11.735 1.088 1.00 24.35 H new ATOM 0 HG23 ILE A 100 6.761 10.937 2.357 1.00 24.35 H new ATOM 0 HD11 ILE A 100 3.920 8.554 4.608 1.00 71.34 H new ATOM 0 HD12 ILE A 100 2.925 9.464 3.446 1.00 71.34 H new ATOM 0 HD13 ILE A 100 4.456 8.726 2.919 1.00 71.34 H new ATOM 1519 N SER A 101 5.815 14.957 2.408 1.00 22.15 N ATOM 1520 CA SER A 101 5.650 16.162 1.584 1.00 13.53 C ATOM 1521 C SER A 101 5.462 15.886 0.088 1.00 31.52 C ATOM 1522 O SER A 101 4.553 16.444 -0.537 1.00 32.13 O ATOM 1523 CB SER A 101 6.848 17.086 1.802 1.00 43.32 C ATOM 1524 OG SER A 101 6.635 18.363 1.236 1.00 61.35 O ATOM 0 H SER A 101 6.677 14.955 2.953 1.00 22.15 H new ATOM 0 HA SER A 101 4.724 16.636 1.910 1.00 13.53 H new ATOM 0 HB2 SER A 101 7.038 17.189 2.870 1.00 43.32 H new ATOM 0 HB3 SER A 101 7.738 16.637 1.362 1.00 43.32 H new ATOM 0 HG SER A 101 7.420 18.927 1.396 1.00 61.35 H new ATOM 1530 N GLY A 102 6.297 15.025 -0.472 1.00 55.02 N ATOM 1531 CA GLY A 102 6.272 14.765 -1.905 1.00 35.23 C ATOM 1532 C GLY A 102 5.442 13.556 -2.308 1.00 4.34 C ATOM 1533 O GLY A 102 5.664 12.991 -3.381 1.00 24.41 O ATOM 0 H GLY A 102 7.000 14.494 0.042 1.00 55.02 H new ATOM 0 HA2 GLY A 102 5.881 15.645 -2.415 1.00 35.23 H new ATOM 0 HA3 GLY A 102 7.295 14.622 -2.254 1.00 35.23 H new ATOM 1537 N ALA A 103 4.507 13.139 -1.452 1.00 40.43 N ATOM 1538 CA ALA A 103 3.564 12.078 -1.790 1.00 64.24 C ATOM 1539 C ALA A 103 2.443 12.600 -2.676 1.00 45.12 C ATOM 1540 O ALA A 103 1.444 13.148 -2.194 1.00 2.41 O ATOM 1541 CB ALA A 103 2.997 11.439 -0.534 1.00 25.04 C ATOM 0 H ALA A 103 4.385 13.524 -0.515 1.00 40.43 H new ATOM 0 HA ALA A 103 4.108 11.316 -2.348 1.00 64.24 H new ATOM 0 HB1 ALA A 103 2.297 10.651 -0.811 1.00 25.04 H new ATOM 0 HB2 ALA A 103 3.809 11.012 0.055 1.00 25.04 H new ATOM 0 HB3 ALA A 103 2.478 12.194 0.056 1.00 25.04 H new ATOM 1547 N THR A 104 2.638 12.445 -3.983 1.00 43.01 N ATOM 1548 CA THR A 104 1.643 12.814 -4.978 1.00 31.52 C ATOM 1549 C THR A 104 0.704 11.624 -5.197 1.00 32.44 C ATOM 1550 O THR A 104 0.772 10.925 -6.215 1.00 42.03 O ATOM 1551 CB THR A 104 2.321 13.240 -6.302 1.00 34.40 C ATOM 1552 OG1 THR A 104 3.493 14.018 -6.013 1.00 4.02 O ATOM 1553 CG2 THR A 104 1.381 14.067 -7.169 1.00 64.23 C ATOM 0 H THR A 104 3.494 12.058 -4.380 1.00 43.01 H new ATOM 0 HA THR A 104 1.067 13.668 -4.622 1.00 31.52 H new ATOM 0 HB THR A 104 2.589 12.335 -6.847 1.00 34.40 H new ATOM 0 HG1 THR A 104 3.923 14.286 -6.852 1.00 4.02 H new ATOM 0 HG21 THR A 104 1.890 14.349 -8.091 1.00 64.23 H new ATOM 0 HG22 THR A 104 0.495 13.479 -7.409 1.00 64.23 H new ATOM 0 HG23 THR A 104 1.084 14.966 -6.629 1.00 64.23 H new ATOM 1561 N ILE A 105 -0.157 11.426 -4.195 1.00 31.34 N ATOM 1562 CA ILE A 105 -0.991 10.235 -4.042 1.00 72.21 C ATOM 1563 C ILE A 105 -1.706 10.341 -2.675 1.00 11.23 C ATOM 1564 O ILE A 105 -1.191 10.987 -1.750 1.00 41.41 O ATOM 1565 CB ILE A 105 -0.102 8.922 -4.168 1.00 55.50 C ATOM 1566 CG1 ILE A 105 -0.867 7.717 -4.789 1.00 34.23 C ATOM 1567 CG2 ILE A 105 0.585 8.538 -2.855 1.00 72.13 C ATOM 1568 CD1 ILE A 105 -1.920 7.048 -3.932 1.00 13.20 C ATOM 0 H ILE A 105 -0.295 12.108 -3.450 1.00 31.34 H new ATOM 0 HA ILE A 105 -1.741 10.170 -4.830 1.00 72.21 H new ATOM 0 HB ILE A 105 0.687 9.184 -4.873 1.00 55.50 H new ATOM 0 HG12 ILE A 105 -1.346 8.058 -5.707 1.00 34.23 H new ATOM 0 HG13 ILE A 105 -0.134 6.962 -5.073 1.00 34.23 H new ATOM 0 HG21 ILE A 105 1.177 7.635 -3.004 1.00 72.13 H new ATOM 0 HG22 ILE A 105 1.237 9.350 -2.535 1.00 72.13 H new ATOM 0 HG23 ILE A 105 -0.169 8.355 -2.090 1.00 72.13 H new ATOM 0 HD11 ILE A 105 -2.373 6.226 -4.487 1.00 13.20 H new ATOM 0 HD12 ILE A 105 -1.458 6.661 -3.024 1.00 13.20 H new ATOM 0 HD13 ILE A 105 -2.689 7.774 -3.667 1.00 13.20 H new ATOM 1580 N LYS A 106 -2.912 9.788 -2.568 1.00 1.04 N ATOM 1581 CA LYS A 106 -3.573 9.656 -1.273 1.00 70.45 C ATOM 1582 C LYS A 106 -3.031 8.448 -0.497 1.00 41.54 C ATOM 1583 O LYS A 106 -3.321 7.284 -0.787 1.00 42.52 O ATOM 1584 CB LYS A 106 -5.114 9.655 -1.381 1.00 3.41 C ATOM 1585 CG LYS A 106 -5.695 9.189 -2.711 1.00 24.52 C ATOM 1586 CD LYS A 106 -5.989 7.700 -2.743 1.00 42.24 C ATOM 1587 CE LYS A 106 -6.819 7.330 -3.965 1.00 33.23 C ATOM 1588 NZ LYS A 106 -8.116 8.066 -4.003 1.00 21.50 N ATOM 0 H LYS A 106 -3.448 9.426 -3.357 1.00 1.04 H new ATOM 0 HA LYS A 106 -3.328 10.548 -0.696 1.00 70.45 H new ATOM 0 HB2 LYS A 106 -5.512 9.018 -0.591 1.00 3.41 H new ATOM 0 HB3 LYS A 106 -5.472 10.666 -1.186 1.00 3.41 H new ATOM 0 HG2 LYS A 106 -6.614 9.739 -2.912 1.00 24.52 H new ATOM 0 HG3 LYS A 106 -4.996 9.433 -3.511 1.00 24.52 H new ATOM 0 HD2 LYS A 106 -5.053 7.142 -2.753 1.00 42.24 H new ATOM 0 HD3 LYS A 106 -6.522 7.412 -1.837 1.00 42.24 H new ATOM 0 HE2 LYS A 106 -6.251 7.549 -4.869 1.00 33.23 H new ATOM 0 HE3 LYS A 106 -7.011 6.257 -3.962 1.00 33.23 H new ATOM 0 HZ1 LYS A 106 -8.798 7.539 -4.585 1.00 21.50 H new ATOM 0 HZ2 LYS A 106 -8.488 8.163 -3.037 1.00 21.50 H new ATOM 0 HZ3 LYS A 106 -7.968 9.010 -4.414 1.00 21.50 H new ATOM 1602 N VAL A 107 -2.258 8.797 0.524 1.00 52.40 N ATOM 1603 CA VAL A 107 -1.496 7.880 1.380 1.00 62.13 C ATOM 1604 C VAL A 107 -2.406 7.101 2.352 1.00 52.01 C ATOM 1605 O VAL A 107 -1.992 6.094 2.941 1.00 65.22 O ATOM 1606 CB VAL A 107 -0.426 8.730 2.143 1.00 34.24 C ATOM 1607 CG1 VAL A 107 0.353 7.960 3.188 1.00 43.54 C ATOM 1608 CG2 VAL A 107 0.550 9.318 1.155 1.00 10.44 C ATOM 0 H VAL A 107 -2.136 9.773 0.795 1.00 52.40 H new ATOM 0 HA VAL A 107 -1.009 7.121 0.768 1.00 62.13 H new ATOM 0 HB VAL A 107 -0.984 9.503 2.671 1.00 34.24 H new ATOM 0 HG11 VAL A 107 1.072 8.624 3.668 1.00 43.54 H new ATOM 0 HG12 VAL A 107 -0.334 7.566 3.937 1.00 43.54 H new ATOM 0 HG13 VAL A 107 0.883 7.135 2.712 1.00 43.54 H new ATOM 0 HG21 VAL A 107 1.295 9.910 1.687 1.00 10.44 H new ATOM 0 HG22 VAL A 107 1.046 8.514 0.611 1.00 10.44 H new ATOM 0 HG23 VAL A 107 0.015 9.956 0.451 1.00 10.44 H new ATOM 1618 N LYS A 108 -3.669 7.538 2.462 1.00 23.31 N ATOM 1619 CA LYS A 108 -4.640 6.938 3.380 1.00 23.23 C ATOM 1620 C LYS A 108 -4.886 5.453 3.090 1.00 51.10 C ATOM 1621 O LYS A 108 -5.165 4.696 4.006 1.00 74.22 O ATOM 1622 CB LYS A 108 -5.947 7.759 3.389 1.00 50.11 C ATOM 1623 CG LYS A 108 -6.755 7.770 2.087 1.00 31.03 C ATOM 1624 CD LYS A 108 -7.788 6.648 2.042 1.00 62.50 C ATOM 1625 CE LYS A 108 -8.818 6.766 3.156 1.00 31.04 C ATOM 1626 NZ LYS A 108 -9.546 5.493 3.368 1.00 24.24 N ATOM 0 H LYS A 108 -4.042 8.315 1.917 1.00 23.31 H new ATOM 0 HA LYS A 108 -4.214 6.972 4.383 1.00 23.23 H new ATOM 0 HB2 LYS A 108 -6.586 7.375 4.184 1.00 50.11 H new ATOM 0 HB3 LYS A 108 -5.701 8.789 3.647 1.00 50.11 H new ATOM 0 HG2 LYS A 108 -7.259 8.731 1.982 1.00 31.03 H new ATOM 0 HG3 LYS A 108 -6.077 7.672 1.239 1.00 31.03 H new ATOM 0 HD2 LYS A 108 -8.296 6.663 1.078 1.00 62.50 H new ATOM 0 HD3 LYS A 108 -7.280 5.687 2.120 1.00 62.50 H new ATOM 0 HE2 LYS A 108 -8.321 7.059 4.081 1.00 31.04 H new ATOM 0 HE3 LYS A 108 -9.529 7.555 2.912 1.00 31.04 H new ATOM 0 HZ1 LYS A 108 -10.461 5.688 3.822 1.00 24.24 H new ATOM 0 HZ2 LYS A 108 -9.706 5.028 2.452 1.00 24.24 H new ATOM 0 HZ3 LYS A 108 -8.982 4.868 3.980 1.00 24.24 H new ATOM 1640 N LYS A 109 -4.738 5.063 1.816 1.00 74.23 N ATOM 1641 CA LYS A 109 -4.897 3.681 1.371 1.00 50.14 C ATOM 1642 C LYS A 109 -3.789 2.784 1.931 1.00 4.33 C ATOM 1643 O LYS A 109 -4.047 1.660 2.343 1.00 23.44 O ATOM 1644 CB LYS A 109 -4.847 3.647 -0.154 1.00 52.25 C ATOM 1645 CG LYS A 109 -5.248 2.312 -0.764 1.00 2.21 C ATOM 1646 CD LYS A 109 -6.746 2.227 -1.028 1.00 64.24 C ATOM 1647 CE LYS A 109 -7.214 3.268 -2.049 1.00 14.04 C ATOM 1648 NZ LYS A 109 -6.468 3.198 -3.336 1.00 53.01 N ATOM 0 H LYS A 109 -4.502 5.708 1.062 1.00 74.23 H new ATOM 0 HA LYS A 109 -5.854 3.307 1.735 1.00 50.14 H new ATOM 0 HB2 LYS A 109 -5.504 4.424 -0.545 1.00 52.25 H new ATOM 0 HB3 LYS A 109 -3.836 3.892 -0.478 1.00 52.25 H new ATOM 0 HG2 LYS A 109 -4.707 2.164 -1.699 1.00 2.21 H new ATOM 0 HG3 LYS A 109 -4.952 1.505 -0.094 1.00 2.21 H new ATOM 0 HD2 LYS A 109 -6.993 1.229 -1.390 1.00 64.24 H new ATOM 0 HD3 LYS A 109 -7.287 2.370 -0.092 1.00 64.24 H new ATOM 0 HE2 LYS A 109 -8.277 3.126 -2.244 1.00 14.04 H new ATOM 0 HE3 LYS A 109 -7.099 4.264 -1.622 1.00 14.04 H new ATOM 0 HZ1 LYS A 109 -6.935 3.803 -4.041 1.00 53.01 H new ATOM 0 HZ2 LYS A 109 -5.492 3.526 -3.190 1.00 53.01 H new ATOM 0 HZ3 LYS A 109 -6.456 2.216 -3.677 1.00 53.01 H new ATOM 1662 N PHE A 110 -2.567 3.319 1.947 1.00 51.03 N ATOM 1663 CA PHE A 110 -1.377 2.595 2.383 1.00 62.30 C ATOM 1664 C PHE A 110 -1.452 2.233 3.862 1.00 12.33 C ATOM 1665 O PHE A 110 -1.257 1.077 4.218 1.00 5.24 O ATOM 1666 CB PHE A 110 -0.135 3.452 2.090 1.00 40.53 C ATOM 1667 CG PHE A 110 1.149 2.888 2.602 1.00 11.13 C ATOM 1668 CD1 PHE A 110 1.762 1.820 1.977 1.00 5.22 C ATOM 1669 CD2 PHE A 110 1.737 3.437 3.719 1.00 5.40 C ATOM 1670 CE1 PHE A 110 2.935 1.302 2.478 1.00 12.33 C ATOM 1671 CE2 PHE A 110 2.904 2.931 4.218 1.00 10.35 C ATOM 1672 CZ PHE A 110 3.506 1.863 3.602 1.00 34.24 C ATOM 0 H PHE A 110 -2.376 4.277 1.654 1.00 51.03 H new ATOM 0 HA PHE A 110 -1.312 1.658 1.831 1.00 62.30 H new ATOM 0 HB2 PHE A 110 -0.051 3.589 1.012 1.00 40.53 H new ATOM 0 HB3 PHE A 110 -0.281 4.440 2.526 1.00 40.53 H new ATOM 0 HD1 PHE A 110 1.319 1.389 1.091 1.00 5.22 H new ATOM 0 HD2 PHE A 110 1.270 4.279 4.208 1.00 5.40 H new ATOM 0 HE1 PHE A 110 3.406 0.460 1.993 1.00 12.33 H new ATOM 0 HE2 PHE A 110 3.352 3.371 5.096 1.00 10.35 H new ATOM 0 HZ PHE A 110 4.427 1.461 3.997 1.00 34.24 H new ATOM 1682 N PHE A 111 -1.744 3.225 4.702 1.00 24.24 N ATOM 1683 CA PHE A 111 -1.810 3.020 6.147 1.00 50.24 C ATOM 1684 C PHE A 111 -3.062 2.238 6.554 1.00 73.54 C ATOM 1685 O PHE A 111 -3.040 1.533 7.560 1.00 53.31 O ATOM 1686 CB PHE A 111 -1.712 4.356 6.889 1.00 2.52 C ATOM 1687 CG PHE A 111 -0.300 4.905 6.968 1.00 41.15 C ATOM 1688 CD1 PHE A 111 0.222 5.690 5.959 1.00 14.31 C ATOM 1689 CD2 PHE A 111 0.501 4.633 8.065 1.00 13.43 C ATOM 1690 CE1 PHE A 111 1.512 6.187 6.039 1.00 54.11 C ATOM 1691 CE2 PHE A 111 1.788 5.128 8.150 1.00 42.34 C ATOM 1692 CZ PHE A 111 2.293 5.906 7.136 1.00 51.25 C ATOM 0 H PHE A 111 -1.939 4.181 4.405 1.00 24.24 H new ATOM 0 HA PHE A 111 -0.952 2.412 6.436 1.00 50.24 H new ATOM 0 HB2 PHE A 111 -2.349 5.086 6.391 1.00 2.52 H new ATOM 0 HB3 PHE A 111 -2.101 4.230 7.899 1.00 2.52 H new ATOM 0 HD1 PHE A 111 -0.384 5.920 5.095 1.00 14.31 H new ATOM 0 HD2 PHE A 111 0.113 4.024 8.868 1.00 13.43 H new ATOM 0 HE1 PHE A 111 1.906 6.796 5.239 1.00 54.11 H new ATOM 0 HE2 PHE A 111 2.397 4.904 9.013 1.00 42.34 H new ATOM 0 HZ PHE A 111 3.298 6.295 7.200 1.00 51.25 H new ATOM 1702 N ASP A 112 -4.133 2.345 5.752 1.00 72.11 N ATOM 1703 CA ASP A 112 -5.344 1.530 5.937 1.00 71.25 C ATOM 1704 C ASP A 112 -5.028 0.048 5.795 1.00 20.01 C ATOM 1705 O ASP A 112 -5.350 -0.748 6.676 1.00 11.34 O ATOM 1706 CB ASP A 112 -6.416 1.891 4.901 1.00 64.24 C ATOM 1707 CG ASP A 112 -7.611 2.581 5.501 1.00 20.53 C ATOM 1708 OD1 ASP A 112 -8.294 1.966 6.340 1.00 12.25 O ATOM 1709 OD2 ASP A 112 -7.897 3.729 5.105 1.00 71.14 O ATOM 0 H ASP A 112 -4.185 2.992 4.965 1.00 72.11 H new ATOM 0 HA ASP A 112 -5.716 1.737 6.940 1.00 71.25 H new ATOM 0 HB2 ASP A 112 -5.975 2.537 4.141 1.00 64.24 H new ATOM 0 HB3 ASP A 112 -6.745 0.983 4.396 1.00 64.24 H new ATOM 1714 N LEU A 113 -4.343 -0.292 4.700 1.00 34.04 N ATOM 1715 CA LEU A 113 -4.048 -1.677 4.346 1.00 5.03 C ATOM 1716 C LEU A 113 -2.912 -2.267 5.170 1.00 32.22 C ATOM 1717 O LEU A 113 -2.837 -3.479 5.334 1.00 54.11 O ATOM 1718 CB LEU A 113 -3.715 -1.796 2.856 1.00 3.45 C ATOM 1719 CG LEU A 113 -4.881 -2.130 1.925 1.00 2.21 C ATOM 1720 CD1 LEU A 113 -5.537 -3.412 2.384 1.00 43.23 C ATOM 1721 CD2 LEU A 113 -5.902 -1.004 1.848 1.00 1.12 C ATOM 0 H LEU A 113 -3.978 0.389 4.034 1.00 34.04 H new ATOM 0 HA LEU A 113 -4.949 -2.249 4.570 1.00 5.03 H new ATOM 0 HB2 LEU A 113 -3.274 -0.855 2.528 1.00 3.45 H new ATOM 0 HB3 LEU A 113 -2.951 -2.564 2.737 1.00 3.45 H new ATOM 0 HG LEU A 113 -4.482 -2.259 0.919 1.00 2.21 H new ATOM 0 HD11 LEU A 113 -6.369 -3.652 1.722 1.00 43.23 H new ATOM 0 HD12 LEU A 113 -4.808 -4.222 2.360 1.00 43.23 H new ATOM 0 HD13 LEU A 113 -5.908 -3.287 3.401 1.00 43.23 H new ATOM 0 HD21 LEU A 113 -6.710 -1.291 1.174 1.00 1.12 H new ATOM 0 HD22 LEU A 113 -6.308 -0.813 2.841 1.00 1.12 H new ATOM 0 HD23 LEU A 113 -5.420 -0.101 1.473 1.00 1.12 H new ATOM 1733 N ALA A 114 -2.023 -1.404 5.665 1.00 61.23 N ATOM 1734 CA ALA A 114 -0.953 -1.818 6.565 1.00 60.52 C ATOM 1735 C ALA A 114 -1.500 -2.279 7.922 1.00 51.11 C ATOM 1736 O ALA A 114 -0.979 -3.222 8.508 1.00 23.12 O ATOM 1737 CB ALA A 114 0.040 -0.686 6.734 1.00 33.30 C ATOM 0 H ALA A 114 -2.026 -0.406 5.453 1.00 61.23 H new ATOM 0 HA ALA A 114 -0.444 -2.673 6.121 1.00 60.52 H new ATOM 0 HB1 ALA A 114 0.838 -0.999 7.407 1.00 33.30 H new ATOM 0 HB2 ALA A 114 0.464 -0.427 5.764 1.00 33.30 H new ATOM 0 HB3 ALA A 114 -0.467 0.183 7.152 1.00 33.30 H new ATOM 1743 N GLN A 115 -2.581 -1.633 8.383 1.00 1.42 N ATOM 1744 CA GLN A 115 -3.285 -2.036 9.617 1.00 12.54 C ATOM 1745 C GLN A 115 -4.000 -3.377 9.435 1.00 34.34 C ATOM 1746 O GLN A 115 -4.102 -4.174 10.369 1.00 61.22 O ATOM 1747 CB GLN A 115 -4.304 -0.970 10.019 1.00 31.34 C ATOM 1748 CG GLN A 115 -3.681 0.266 10.635 1.00 31.34 C ATOM 1749 CD GLN A 115 -4.696 1.361 10.886 1.00 44.31 C ATOM 1750 OE1 GLN A 115 -5.332 1.400 11.937 1.00 53.34 O ATOM 1751 NE2 GLN A 115 -4.828 2.278 9.941 1.00 72.42 N ATOM 0 H GLN A 115 -2.992 -0.823 7.918 1.00 1.42 H new ATOM 0 HA GLN A 115 -2.538 -2.143 10.403 1.00 12.54 H new ATOM 0 HB2 GLN A 115 -4.877 -0.677 9.139 1.00 31.34 H new ATOM 0 HB3 GLN A 115 -5.009 -1.403 10.729 1.00 31.34 H new ATOM 0 HG2 GLN A 115 -3.201 -0.003 11.576 1.00 31.34 H new ATOM 0 HG3 GLN A 115 -2.900 0.643 9.975 1.00 31.34 H new ATOM 0 HE21 GLN A 115 -4.281 2.209 9.083 1.00 72.42 H new ATOM 0 HE22 GLN A 115 -5.477 3.054 10.071 1.00 72.42 H new ATOM 1760 N LYS A 116 -4.482 -3.608 8.212 1.00 22.31 N ATOM 1761 CA LYS A 116 -5.175 -4.840 7.835 1.00 53.34 C ATOM 1762 C LYS A 116 -4.196 -6.010 7.656 1.00 61.21 C ATOM 1763 O LYS A 116 -4.573 -7.172 7.793 1.00 42.10 O ATOM 1764 CB LYS A 116 -5.989 -4.593 6.562 1.00 12.33 C ATOM 1765 CG LYS A 116 -7.096 -3.563 6.758 1.00 73.33 C ATOM 1766 CD LYS A 116 -7.633 -3.018 5.441 1.00 25.44 C ATOM 1767 CE LYS A 116 -8.519 -4.008 4.700 1.00 21.52 C ATOM 1768 NZ LYS A 116 -9.826 -4.210 5.370 1.00 62.32 N ATOM 0 H LYS A 116 -4.401 -2.937 7.448 1.00 22.31 H new ATOM 0 HA LYS A 116 -5.852 -5.122 8.641 1.00 53.34 H new ATOM 0 HB2 LYS A 116 -5.321 -4.255 5.769 1.00 12.33 H new ATOM 0 HB3 LYS A 116 -6.429 -5.533 6.229 1.00 12.33 H new ATOM 0 HG2 LYS A 116 -7.913 -4.017 7.319 1.00 73.33 H new ATOM 0 HG3 LYS A 116 -6.716 -2.738 7.360 1.00 73.33 H new ATOM 0 HD2 LYS A 116 -8.200 -2.108 5.636 1.00 25.44 H new ATOM 0 HD3 LYS A 116 -6.795 -2.741 4.801 1.00 25.44 H new ATOM 0 HE2 LYS A 116 -8.686 -3.651 3.684 1.00 21.52 H new ATOM 0 HE3 LYS A 116 -8.003 -4.965 4.621 1.00 21.52 H new ATOM 0 HZ1 LYS A 116 -10.449 -4.770 4.754 1.00 62.32 H new ATOM 0 HZ2 LYS A 116 -9.682 -4.716 6.267 1.00 62.32 H new ATOM 0 HZ3 LYS A 116 -10.265 -3.287 5.560 1.00 62.32 H new ATOM 1782 N ALA A 117 -2.946 -5.690 7.319 1.00 5.52 N ATOM 1783 CA ALA A 117 -1.896 -6.688 7.133 1.00 21.25 C ATOM 1784 C ALA A 117 -1.432 -7.283 8.460 1.00 55.52 C ATOM 1785 O ALA A 117 -1.235 -8.490 8.566 1.00 50.24 O ATOM 1786 CB ALA A 117 -0.724 -6.071 6.394 1.00 54.12 C ATOM 0 H ALA A 117 -2.634 -4.731 7.168 1.00 5.52 H new ATOM 0 HA ALA A 117 -2.312 -7.503 6.540 1.00 21.25 H new ATOM 0 HB1 ALA A 117 0.056 -6.820 6.258 1.00 54.12 H new ATOM 0 HB2 ALA A 117 -1.056 -5.713 5.420 1.00 54.12 H new ATOM 0 HB3 ALA A 117 -0.328 -5.236 6.972 1.00 54.12 H new ATOM 1792 N LEU A 118 -1.307 -6.432 9.472 1.00 1.11 N ATOM 1793 CA LEU A 118 -0.755 -6.827 10.767 1.00 54.33 C ATOM 1794 C LEU A 118 -1.845 -6.982 11.825 1.00 15.21 C ATOM 1795 O LEU A 118 -1.541 -7.014 13.013 1.00 62.23 O ATOM 1796 CB LEU A 118 0.234 -5.761 11.225 1.00 44.33 C ATOM 1797 CG LEU A 118 1.358 -5.470 10.249 1.00 54.22 C ATOM 1798 CD1 LEU A 118 1.645 -3.990 10.241 1.00 62.33 C ATOM 1799 CD2 LEU A 118 2.599 -6.254 10.614 1.00 31.52 C ATOM 0 H LEU A 118 -1.584 -5.452 9.421 1.00 1.11 H new ATOM 0 HA LEU A 118 -0.263 -7.792 10.647 1.00 54.33 H new ATOM 0 HB2 LEU A 118 -0.312 -4.837 11.413 1.00 44.33 H new ATOM 0 HB3 LEU A 118 0.669 -6.074 12.174 1.00 44.33 H new ATOM 0 HG LEU A 118 1.051 -5.779 9.250 1.00 54.22 H new ATOM 0 HD11 LEU A 118 2.453 -3.780 9.540 1.00 62.33 H new ATOM 0 HD12 LEU A 118 0.750 -3.447 9.937 1.00 62.33 H new ATOM 0 HD13 LEU A 118 1.940 -3.671 11.241 1.00 62.33 H new ATOM 0 HD21 LEU A 118 3.393 -6.031 9.901 1.00 31.52 H new ATOM 0 HD22 LEU A 118 2.923 -5.976 11.617 1.00 31.52 H new ATOM 0 HD23 LEU A 118 2.377 -7.321 10.587 1.00 31.52 H new ATOM 1811 N LYS A 119 -3.104 -7.107 11.374 1.00 62.40 N ATOM 1812 CA LYS A 119 -4.289 -7.137 12.260 1.00 4.30 C ATOM 1813 C LYS A 119 -4.254 -8.269 13.303 1.00 4.52 C ATOM 1814 O LYS A 119 -4.569 -8.047 14.469 1.00 74.44 O ATOM 1815 CB LYS A 119 -5.584 -7.222 11.427 1.00 5.53 C ATOM 1816 CG LYS A 119 -5.690 -8.453 10.523 1.00 2.23 C ATOM 1817 CD LYS A 119 -7.115 -8.744 10.083 1.00 34.43 C ATOM 1818 CE LYS A 119 -7.658 -7.679 9.151 1.00 62.23 C ATOM 1819 NZ LYS A 119 -9.014 -8.019 8.673 1.00 53.32 N ATOM 0 H LYS A 119 -3.334 -7.191 10.384 1.00 62.40 H new ATOM 0 HA LYS A 119 -4.269 -6.202 12.820 1.00 4.30 H new ATOM 0 HB2 LYS A 119 -6.437 -7.214 12.106 1.00 5.53 H new ATOM 0 HB3 LYS A 119 -5.660 -6.328 10.809 1.00 5.53 H new ATOM 0 HG2 LYS A 119 -5.066 -8.305 9.641 1.00 2.23 H new ATOM 0 HG3 LYS A 119 -5.294 -9.320 11.051 1.00 2.23 H new ATOM 0 HD2 LYS A 119 -7.148 -9.712 9.583 1.00 34.43 H new ATOM 0 HD3 LYS A 119 -7.756 -8.817 10.961 1.00 34.43 H new ATOM 0 HE2 LYS A 119 -7.683 -6.720 9.668 1.00 62.23 H new ATOM 0 HE3 LYS A 119 -6.989 -7.564 8.298 1.00 62.23 H new ATOM 0 HZ1 LYS A 119 -9.356 -7.270 8.038 1.00 53.32 H new ATOM 0 HZ2 LYS A 119 -8.984 -8.922 8.159 1.00 53.32 H new ATOM 0 HZ3 LYS A 119 -9.657 -8.104 9.486 1.00 53.32 H new ATOM 1833 N ASP A 120 -3.849 -9.465 12.885 1.00 11.41 N ATOM 1834 CA ASP A 120 -3.789 -10.616 13.785 1.00 30.14 C ATOM 1835 C ASP A 120 -2.400 -10.762 14.379 1.00 35.13 C ATOM 1836 O ASP A 120 -2.237 -11.345 15.452 1.00 74.44 O ATOM 1837 CB ASP A 120 -4.143 -11.911 13.041 1.00 23.33 C ATOM 1838 CG ASP A 120 -5.498 -11.863 12.373 1.00 32.53 C ATOM 1839 OD1 ASP A 120 -6.521 -11.815 13.081 1.00 61.42 O ATOM 1840 OD2 ASP A 120 -5.537 -11.863 11.129 1.00 62.32 O ATOM 0 H ASP A 120 -3.557 -9.664 11.928 1.00 11.41 H new ATOM 0 HA ASP A 120 -4.513 -10.444 14.582 1.00 30.14 H new ATOM 0 HB2 ASP A 120 -3.381 -12.109 12.288 1.00 23.33 H new ATOM 0 HB3 ASP A 120 -4.121 -12.744 13.744 1.00 23.33 H new ATOM 1845 N ALA A 121 -1.413 -10.192 13.654 1.00 23.53 N ATOM 1846 CA ALA A 121 0.032 -10.430 13.849 1.00 2.44 C ATOM 1847 C ALA A 121 0.421 -11.927 13.865 1.00 30.33 C ATOM 1848 O ALA A 121 1.476 -12.306 14.373 1.00 0.51 O ATOM 1849 CB ALA A 121 0.547 -9.711 15.081 1.00 24.24 C ATOM 0 H ALA A 121 -1.606 -9.536 12.897 1.00 23.53 H new ATOM 0 HA ALA A 121 0.523 -10.008 12.972 1.00 2.44 H new ATOM 0 HB1 ALA A 121 1.613 -9.906 15.197 1.00 24.24 H new ATOM 0 HB2 ALA A 121 0.384 -8.639 14.971 1.00 24.24 H new ATOM 0 HB3 ALA A 121 0.015 -10.071 15.961 1.00 24.24 H new ATOM 1855 N GLU A 122 -0.425 -12.756 13.260 1.00 64.14 N ATOM 1856 CA GLU A 122 -0.162 -14.177 13.071 1.00 52.11 C ATOM 1857 C GLU A 122 -0.286 -14.520 11.598 1.00 2.41 C ATOM 1858 O GLU A 122 -0.380 -15.687 11.214 1.00 64.21 O ATOM 1859 CB GLU A 122 -1.141 -15.026 13.875 1.00 2.22 C ATOM 1860 CG GLU A 122 -0.955 -14.935 15.370 1.00 45.33 C ATOM 1861 CD GLU A 122 -1.838 -15.905 16.104 1.00 21.35 C ATOM 1862 OE1 GLU A 122 -1.428 -17.066 16.273 1.00 40.03 O ATOM 1863 OE2 GLU A 122 -2.946 -15.512 16.506 1.00 60.23 O ATOM 0 H GLU A 122 -1.324 -12.455 12.883 1.00 64.14 H new ATOM 0 HA GLU A 122 0.848 -14.392 13.421 1.00 52.11 H new ATOM 0 HB2 GLU A 122 -2.158 -14.721 13.627 1.00 2.22 H new ATOM 0 HB3 GLU A 122 -1.037 -16.067 13.570 1.00 2.22 H new ATOM 0 HG2 GLU A 122 0.088 -15.133 15.619 1.00 45.33 H new ATOM 0 HG3 GLU A 122 -1.175 -13.920 15.702 1.00 45.33 H new ATOM 1870 N LYS A 123 -0.276 -13.483 10.777 1.00 60.10 N ATOM 1871 CA LYS A 123 -0.376 -13.634 9.346 1.00 33.14 C ATOM 1872 C LYS A 123 1.007 -13.786 8.728 1.00 65.31 C ATOM 1873 O LYS A 123 1.646 -12.813 8.329 1.00 22.43 O ATOM 1874 CB LYS A 123 -1.114 -12.445 8.742 1.00 2.52 C ATOM 1875 CG LYS A 123 -2.602 -12.410 9.069 1.00 20.30 C ATOM 1876 CD LYS A 123 -3.304 -11.146 8.555 1.00 33.44 C ATOM 1877 CE LYS A 123 -3.414 -11.073 7.029 1.00 61.05 C ATOM 1878 NZ LYS A 123 -2.143 -10.669 6.380 1.00 73.23 N ATOM 0 H LYS A 123 -0.198 -12.515 11.090 1.00 60.10 H new ATOM 0 HA LYS A 123 -0.944 -14.538 9.127 1.00 33.14 H new ATOM 0 HB2 LYS A 123 -0.652 -11.524 9.098 1.00 2.52 H new ATOM 0 HB3 LYS A 123 -0.990 -12.465 7.659 1.00 2.52 H new ATOM 0 HG2 LYS A 123 -3.083 -13.287 8.636 1.00 20.30 H new ATOM 0 HG3 LYS A 123 -2.732 -12.476 10.149 1.00 20.30 H new ATOM 0 HD2 LYS A 123 -4.305 -11.098 8.984 1.00 33.44 H new ATOM 0 HD3 LYS A 123 -2.762 -10.271 8.913 1.00 33.44 H new ATOM 0 HE2 LYS A 123 -3.720 -12.046 6.644 1.00 61.05 H new ATOM 0 HE3 LYS A 123 -4.196 -10.363 6.759 1.00 61.05 H new ATOM 0 HZ1 LYS A 123 -2.349 -10.071 5.555 1.00 73.23 H new ATOM 0 HZ2 LYS A 123 -1.562 -10.136 7.057 1.00 73.23 H new ATOM 0 HZ3 LYS A 123 -1.626 -11.517 6.072 1.00 73.23 H new ATOM 1892 N LEU A 124 1.480 -15.017 8.692 1.00 60.11 N ATOM 1893 CA LEU A 124 2.770 -15.314 8.116 1.00 43.02 C ATOM 1894 C LEU A 124 2.585 -15.816 6.691 1.00 30.13 C ATOM 1895 O LEU A 124 2.229 -16.969 6.459 1.00 32.20 O ATOM 1896 CB LEU A 124 3.564 -16.335 8.963 1.00 64.24 C ATOM 1897 CG LEU A 124 4.122 -15.858 10.327 1.00 1.55 C ATOM 1898 CD1 LEU A 124 4.684 -14.446 10.251 1.00 62.05 C ATOM 1899 CD2 LEU A 124 3.084 -15.967 11.429 1.00 33.40 C ATOM 0 H LEU A 124 0.984 -15.830 9.058 1.00 60.11 H new ATOM 0 HA LEU A 124 3.357 -14.396 8.104 1.00 43.02 H new ATOM 0 HB2 LEU A 124 2.918 -17.193 9.146 1.00 64.24 H new ATOM 0 HB3 LEU A 124 4.402 -16.689 8.363 1.00 64.24 H new ATOM 0 HG LEU A 124 4.946 -16.527 10.577 1.00 1.55 H new ATOM 0 HD11 LEU A 124 5.064 -14.153 11.229 1.00 62.05 H new ATOM 0 HD12 LEU A 124 5.494 -14.416 9.523 1.00 62.05 H new ATOM 0 HD13 LEU A 124 3.896 -13.757 9.946 1.00 62.05 H new ATOM 0 HD21 LEU A 124 3.514 -15.623 12.370 1.00 33.40 H new ATOM 0 HD22 LEU A 124 2.221 -15.351 11.178 1.00 33.40 H new ATOM 0 HD23 LEU A 124 2.770 -17.006 11.532 1.00 33.40 H new ATOM 1911 N GLU A 125 2.776 -14.906 5.750 1.00 23.12 N ATOM 1912 CA GLU A 125 2.721 -15.211 4.324 1.00 14.25 C ATOM 1913 C GLU A 125 4.137 -15.286 3.740 1.00 35.30 C ATOM 1914 O GLU A 125 4.328 -15.077 2.539 1.00 2.32 O ATOM 1915 CB GLU A 125 1.931 -14.127 3.553 1.00 22.33 C ATOM 1916 CG GLU A 125 0.417 -14.148 3.729 1.00 71.22 C ATOM 1917 CD GLU A 125 -0.058 -13.531 5.028 1.00 1.01 C ATOM 1918 OE1 GLU A 125 0.037 -12.295 5.180 1.00 63.13 O ATOM 1919 OE2 GLU A 125 -0.556 -14.282 5.883 1.00 10.13 O ATOM 0 H GLU A 125 2.975 -13.926 5.953 1.00 23.12 H new ATOM 0 HA GLU A 125 2.218 -16.172 4.215 1.00 14.25 H new ATOM 0 HB2 GLU A 125 2.299 -13.149 3.863 1.00 22.33 H new ATOM 0 HB3 GLU A 125 2.154 -14.230 2.491 1.00 22.33 H new ATOM 0 HG2 GLU A 125 -0.043 -13.617 2.896 1.00 71.22 H new ATOM 0 HG3 GLU A 125 0.070 -15.180 3.680 1.00 71.22 H new ATOM 1926 N HIS A 126 5.132 -15.595 4.582 1.00 72.21 N ATOM 1927 CA HIS A 126 6.525 -15.593 4.135 1.00 72.11 C ATOM 1928 C HIS A 126 6.893 -16.908 3.446 1.00 31.44 C ATOM 1929 O HIS A 126 6.974 -17.970 4.063 1.00 4.25 O ATOM 1930 CB HIS A 126 7.537 -15.218 5.259 1.00 11.11 C ATOM 1931 CG HIS A 126 7.586 -16.102 6.479 1.00 14.21 C ATOM 1932 ND1 HIS A 126 8.528 -17.088 6.657 1.00 71.10 N ATOM 1933 CD2 HIS A 126 6.837 -16.101 7.600 1.00 3.21 C ATOM 1934 CE1 HIS A 126 8.355 -17.653 7.833 1.00 34.40 C ATOM 1935 NE2 HIS A 126 7.337 -17.073 8.427 1.00 15.41 N ATOM 0 H HIS A 126 4.999 -15.846 5.562 1.00 72.21 H new ATOM 0 HA HIS A 126 6.605 -14.797 3.395 1.00 72.11 H new ATOM 0 HB2 HIS A 126 8.534 -15.197 4.819 1.00 11.11 H new ATOM 0 HB3 HIS A 126 7.312 -14.204 5.588 1.00 11.11 H new ATOM 0 HD2 HIS A 126 5.998 -15.454 7.808 1.00 3.21 H new ATOM 0 HE1 HIS A 126 8.949 -18.457 8.241 1.00 34.40 H new ATOM 0 HE2 HIS A 126 6.977 -17.308 9.352 1.00 15.41 H new ATOM 1944 N HIS A 127 7.057 -16.824 2.133 1.00 22.43 N ATOM 1945 CA HIS A 127 7.585 -17.936 1.358 1.00 75.55 C ATOM 1946 C HIS A 127 9.093 -17.718 1.152 1.00 55.51 C ATOM 1947 O HIS A 127 9.839 -18.649 0.864 1.00 11.50 O ATOM 1948 CB HIS A 127 6.810 -18.091 0.019 1.00 64.21 C ATOM 1949 CG HIS A 127 7.148 -17.111 -1.084 1.00 10.44 C ATOM 1950 ND1 HIS A 127 6.648 -15.831 -1.148 1.00 74.02 N ATOM 1951 CD2 HIS A 127 7.959 -17.244 -2.160 1.00 34.05 C ATOM 1952 CE1 HIS A 127 7.138 -15.219 -2.210 1.00 64.34 C ATOM 1953 NE2 HIS A 127 7.934 -16.054 -2.838 1.00 54.12 N ATOM 0 H HIS A 127 6.831 -15.996 1.582 1.00 22.43 H new ATOM 0 HA HIS A 127 7.446 -18.874 1.896 1.00 75.55 H new ATOM 0 HB2 HIS A 127 6.982 -19.099 -0.358 1.00 64.21 H new ATOM 0 HB3 HIS A 127 5.744 -18.008 0.232 1.00 64.21 H new ATOM 0 HD2 HIS A 127 8.521 -18.125 -2.433 1.00 34.05 H new ATOM 0 HE1 HIS A 127 6.921 -14.205 -2.511 1.00 64.34 H new ATOM 0 HE2 HIS A 127 8.451 -15.849 -3.693 1.00 54.12 H new ATOM 1962 N HIS A 128 9.488 -16.453 1.315 1.00 33.10 N ATOM 1963 CA HIS A 128 10.858 -15.997 1.197 1.00 41.25 C ATOM 1964 C HIS A 128 10.925 -14.618 1.872 1.00 0.03 C ATOM 1965 O HIS A 128 11.070 -14.543 3.090 1.00 42.12 O ATOM 1966 CB HIS A 128 11.280 -15.960 -0.295 1.00 72.41 C ATOM 1967 CG HIS A 128 12.730 -15.661 -0.564 1.00 73.41 C ATOM 1968 ND1 HIS A 128 13.718 -16.615 -0.526 1.00 40.42 N ATOM 1969 CD2 HIS A 128 13.342 -14.507 -0.914 1.00 10.01 C ATOM 1970 CE1 HIS A 128 14.871 -16.062 -0.843 1.00 74.52 C ATOM 1971 NE2 HIS A 128 14.671 -14.784 -1.084 1.00 42.25 N ATOM 0 H HIS A 128 8.836 -15.701 1.540 1.00 33.10 H new ATOM 0 HA HIS A 128 11.559 -16.672 1.688 1.00 41.25 H new ATOM 0 HB2 HIS A 128 11.039 -16.924 -0.744 1.00 72.41 H new ATOM 0 HB3 HIS A 128 10.675 -15.210 -0.805 1.00 72.41 H new ATOM 0 HD2 HIS A 128 12.869 -13.544 -1.037 1.00 10.01 H new ATOM 0 HE1 HIS A 128 15.821 -16.572 -0.896 1.00 74.52 H new ATOM 0 HE2 HIS A 128 15.388 -14.111 -1.353 1.00 42.25 H new ATOM 1980 N HIS A 129 10.712 -13.564 1.071 1.00 53.32 N ATOM 1981 CA HIS A 129 10.704 -12.154 1.490 1.00 52.33 C ATOM 1982 C HIS A 129 10.128 -11.337 0.331 1.00 73.25 C ATOM 1983 O HIS A 129 9.699 -11.910 -0.673 1.00 51.32 O ATOM 1984 CB HIS A 129 12.117 -11.631 1.854 1.00 20.05 C ATOM 1985 CG HIS A 129 12.480 -11.761 3.311 1.00 35.11 C ATOM 1986 ND1 HIS A 129 13.563 -12.481 3.757 1.00 45.00 N ATOM 1987 CD2 HIS A 129 11.894 -11.254 4.420 1.00 30.22 C ATOM 1988 CE1 HIS A 129 13.628 -12.412 5.072 1.00 62.31 C ATOM 1989 NE2 HIS A 129 12.626 -11.673 5.503 1.00 53.00 N ATOM 0 H HIS A 129 10.533 -13.675 0.073 1.00 53.32 H new ATOM 0 HA HIS A 129 10.100 -12.056 2.392 1.00 52.33 H new ATOM 0 HB2 HIS A 129 12.854 -12.172 1.260 1.00 20.05 H new ATOM 0 HB3 HIS A 129 12.186 -10.581 1.569 1.00 20.05 H new ATOM 0 HD2 HIS A 129 11.011 -10.633 4.448 1.00 30.22 H new ATOM 0 HE1 HIS A 129 14.377 -12.882 5.692 1.00 62.31 H new ATOM 0 HE2 HIS A 129 12.427 -11.450 6.478 1.00 53.00 H new ATOM 1998 N HIS A 130 10.094 -10.022 0.464 1.00 61.20 N ATOM 1999 CA HIS A 130 9.649 -9.149 -0.626 1.00 54.42 C ATOM 2000 C HIS A 130 10.710 -8.112 -0.978 1.00 54.33 C ATOM 2001 O HIS A 130 10.706 -7.569 -2.079 1.00 24.11 O ATOM 2002 CB HIS A 130 8.324 -8.456 -0.281 1.00 24.23 C ATOM 2003 CG HIS A 130 7.105 -9.222 -0.715 1.00 75.45 C ATOM 2004 ND1 HIS A 130 6.194 -8.733 -1.623 1.00 73.31 N ATOM 2005 CD2 HIS A 130 6.641 -10.439 -0.350 1.00 73.54 C ATOM 2006 CE1 HIS A 130 5.225 -9.610 -1.796 1.00 25.22 C ATOM 2007 NE2 HIS A 130 5.471 -10.657 -1.035 1.00 23.22 N ATOM 0 H HIS A 130 10.368 -9.529 1.314 1.00 61.20 H new ATOM 0 HA HIS A 130 9.488 -9.783 -1.498 1.00 54.42 H new ATOM 0 HB2 HIS A 130 8.277 -8.298 0.797 1.00 24.23 H new ATOM 0 HB3 HIS A 130 8.308 -7.471 -0.748 1.00 24.23 H new ATOM 0 HD1 HIS A 130 6.259 -7.829 -2.091 1.00 73.31 H new ATOM 0 HD2 HIS A 130 7.106 -11.116 0.352 1.00 73.54 H new ATOM 0 HE1 HIS A 130 4.374 -9.491 -2.450 1.00 25.22 H new ATOM 2016 N HIS A 131 11.607 -7.842 -0.035 1.00 62.31 N ATOM 2017 CA HIS A 131 12.725 -6.928 -0.241 1.00 21.41 C ATOM 2018 C HIS A 131 14.013 -7.573 0.282 1.00 52.03 C ATOM 2019 O HIS A 131 14.059 -8.779 0.521 1.00 10.22 O ATOM 2020 CB HIS A 131 12.441 -5.599 0.479 1.00 50.32 C ATOM 2021 CG HIS A 131 13.491 -4.534 0.306 1.00 14.43 C ATOM 2022 ND1 HIS A 131 14.365 -4.176 1.307 1.00 3.52 N ATOM 2023 CD2 HIS A 131 13.788 -3.743 -0.748 1.00 51.54 C ATOM 2024 CE1 HIS A 131 15.156 -3.216 0.877 1.00 35.10 C ATOM 2025 NE2 HIS A 131 14.829 -2.931 -0.367 1.00 42.22 N ATOM 0 H HIS A 131 11.579 -8.253 0.898 1.00 62.31 H new ATOM 0 HA HIS A 131 12.849 -6.723 -1.304 1.00 21.41 H new ATOM 0 HB2 HIS A 131 11.489 -5.208 0.121 1.00 50.32 H new ATOM 0 HB3 HIS A 131 12.323 -5.800 1.544 1.00 50.32 H new ATOM 0 HD2 HIS A 131 13.298 -3.748 -1.711 1.00 51.54 H new ATOM 0 HE1 HIS A 131 15.941 -2.742 1.448 1.00 35.10 H new ATOM 0 HE2 HIS A 131 15.275 -2.224 -0.951 1.00 42.22 H new TER 2034 HIS A 131