USER MOD reduce.3.24.130724 H: found=0, std=0, add=272, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 268 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 Single : A 1 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 ASN N :NH3+ -162:sc= -0.478 (180deg=-1.02) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= -0.0266 USER MOD Single : A 11 SER OG : rot 180:sc= 0.0327 USER MOD Single : A 15 HIS : no HD1:sc= -0.355 X(o=-0.35,f=-0.025) USER MOD Single : A 21 SER OG : rot 6:sc= 1.17 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0.0584 USER MOD Single : A 30 LYS NZ :NH3+ 149:sc= 0 (180deg=-0.922) USER MOD Single : A 31 GLN : amide:sc=-0.00717 K(o=-0.0072,f=-1.1) USER MOD Single : A 32 SER OG : rot 86:sc= 1.3 USER MOD Single : A 33 HIS : no HD1:sc= -0.0336 X(o=-0.034,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -4.666 -3.434 1.103 1.00 24.42 N ATOM 2 CA ASN A 1 -3.555 -2.695 0.515 1.00 43.02 C ATOM 3 C ASN A 1 -4.064 -1.579 -0.393 1.00 21.15 C ATOM 4 O ASN A 1 -4.687 -1.837 -1.422 1.00 75.21 O ATOM 5 CB ASN A 1 -2.649 -3.640 -0.278 1.00 54.55 C ATOM 6 CG ASN A 1 -1.630 -4.337 0.601 1.00 63.12 C ATOM 7 OD1 ASN A 1 -1.848 -5.462 1.051 1.00 63.00 O ATOM 8 ND2 ASN A 1 -0.509 -3.670 0.850 1.00 65.33 N ATOM 0 H1 ASN A 1 -4.329 -3.969 1.929 1.00 24.42 H new ATOM 0 H2 ASN A 1 -5.407 -2.768 1.401 1.00 24.42 H new ATOM 0 H3 ASN A 1 -5.056 -4.093 0.399 1.00 24.42 H new ATOM 0 HA ASN A 1 -2.980 -2.246 1.325 1.00 43.02 H new ATOM 0 HB2 ASN A 1 -3.261 -4.387 -0.783 1.00 54.55 H new ATOM 0 HB3 ASN A 1 -2.131 -3.076 -1.054 1.00 54.55 H new ATOM 0 HD21 ASN A 1 0.214 -4.088 1.435 1.00 65.33 H new ATOM 0 HD22 ASN A 1 -0.371 -2.739 0.456 1.00 65.33 H new ATOM 15 N VAL A 2 -3.793 -0.337 -0.003 1.00 61.33 N ATOM 16 CA VAL A 2 -4.222 0.819 -0.782 1.00 24.42 C ATOM 17 C VAL A 2 -3.274 1.078 -1.947 1.00 43.42 C ATOM 18 O VAL A 2 -2.537 2.064 -1.953 1.00 44.53 O ATOM 19 CB VAL A 2 -4.303 2.085 0.092 1.00 61.34 C ATOM 20 CG1 VAL A 2 -4.933 3.230 -0.686 1.00 13.24 C ATOM 21 CG2 VAL A 2 -5.082 1.802 1.367 1.00 12.32 C ATOM 0 H VAL A 2 -3.279 -0.106 0.847 1.00 61.33 H new ATOM 0 HA VAL A 2 -5.215 0.590 -1.170 1.00 24.42 H new ATOM 0 HB VAL A 2 -3.291 2.380 0.370 1.00 61.34 H new ATOM 0 HG11 VAL A 2 -4.982 4.116 -0.053 1.00 13.24 H new ATOM 0 HG12 VAL A 2 -4.329 3.447 -1.567 1.00 13.24 H new ATOM 0 HG13 VAL A 2 -5.940 2.949 -0.996 1.00 13.24 H new ATOM 0 HG21 VAL A 2 -5.130 2.707 1.973 1.00 12.32 H new ATOM 0 HG22 VAL A 2 -6.092 1.482 1.113 1.00 12.32 H new ATOM 0 HG23 VAL A 2 -4.583 1.014 1.931 1.00 12.32 H new ATOM 31 N ASP A 3 -3.299 0.188 -2.932 1.00 64.35 N ATOM 32 CA ASP A 3 -2.442 0.321 -4.105 1.00 53.04 C ATOM 33 C ASP A 3 -3.115 -0.272 -5.340 1.00 12.34 C ATOM 34 O ASP A 3 -4.169 -0.901 -5.243 1.00 50.12 O ATOM 35 CB ASP A 3 -1.098 -0.366 -3.863 1.00 22.54 C ATOM 36 CG ASP A 3 -0.144 0.495 -3.059 1.00 1.12 C ATOM 37 OD1 ASP A 3 0.576 -0.058 -2.200 1.00 55.33 O ATOM 38 OD2 ASP A 3 -0.116 1.722 -3.289 1.00 0.01 O ATOM 0 H ASP A 3 -3.903 -0.634 -2.942 1.00 64.35 H new ATOM 0 HA ASP A 3 -2.271 1.383 -4.280 1.00 53.04 H new ATOM 0 HB2 ASP A 3 -1.264 -1.307 -3.338 1.00 22.54 H new ATOM 0 HB3 ASP A 3 -0.641 -0.612 -4.822 1.00 22.54 H new ATOM 43 N VAL A 4 -2.500 -0.066 -6.500 1.00 4.45 N ATOM 44 CA VAL A 4 -3.039 -0.579 -7.753 1.00 64.30 C ATOM 45 C VAL A 4 -2.315 -1.851 -8.182 1.00 52.22 C ATOM 46 O VAL A 4 -2.286 -2.191 -9.365 1.00 21.41 O ATOM 47 CB VAL A 4 -2.931 0.465 -8.880 1.00 62.12 C ATOM 48 CG1 VAL A 4 -1.492 0.589 -9.357 1.00 41.41 C ATOM 49 CG2 VAL A 4 -3.854 0.101 -10.033 1.00 62.33 C ATOM 0 H VAL A 4 -1.627 0.453 -6.598 1.00 4.45 H new ATOM 0 HA VAL A 4 -4.091 -0.804 -7.577 1.00 64.30 H new ATOM 0 HB VAL A 4 -3.243 1.433 -8.487 1.00 62.12 H new ATOM 0 HG11 VAL A 4 -1.435 1.331 -10.153 1.00 41.41 H new ATOM 0 HG12 VAL A 4 -0.859 0.899 -8.526 1.00 41.41 H new ATOM 0 HG13 VAL A 4 -1.149 -0.375 -9.734 1.00 41.41 H new ATOM 0 HG21 VAL A 4 -3.765 0.849 -10.821 1.00 62.33 H new ATOM 0 HG22 VAL A 4 -3.575 -0.876 -10.428 1.00 62.33 H new ATOM 0 HG23 VAL A 4 -4.884 0.069 -9.678 1.00 62.33 H new ATOM 59 N ARG A 5 -1.733 -2.549 -7.213 1.00 62.42 N ATOM 60 CA ARG A 5 -1.008 -3.784 -7.491 1.00 14.23 C ATOM 61 C ARG A 5 -1.621 -4.956 -6.730 1.00 70.44 C ATOM 62 O ARG A 5 -1.449 -5.081 -5.518 1.00 24.23 O ATOM 63 CB ARG A 5 0.466 -3.631 -7.112 1.00 71.10 C ATOM 64 CG ARG A 5 1.355 -3.226 -8.276 1.00 60.14 C ATOM 65 CD ARG A 5 1.552 -1.719 -8.329 1.00 24.22 C ATOM 66 NE ARG A 5 2.550 -1.264 -7.364 1.00 62.04 N ATOM 67 CZ ARG A 5 2.840 0.015 -7.155 1.00 41.32 C ATOM 68 NH1 ARG A 5 2.211 0.961 -7.839 1.00 0.43 N ATOM 69 NH2 ARG A 5 3.761 0.351 -6.260 1.00 74.42 N ATOM 0 H ARG A 5 -1.749 -2.281 -6.229 1.00 62.42 H new ATOM 0 HA ARG A 5 -1.082 -3.988 -8.559 1.00 14.23 H new ATOM 0 HB2 ARG A 5 0.554 -2.885 -6.322 1.00 71.10 H new ATOM 0 HB3 ARG A 5 0.827 -4.574 -6.701 1.00 71.10 H new ATOM 0 HG2 ARG A 5 2.323 -3.718 -8.184 1.00 60.14 H new ATOM 0 HG3 ARG A 5 0.911 -3.569 -9.211 1.00 60.14 H new ATOM 0 HD2 ARG A 5 1.860 -1.429 -9.333 1.00 24.22 H new ATOM 0 HD3 ARG A 5 0.602 -1.222 -8.130 1.00 24.22 H new ATOM 0 HE ARG A 5 3.051 -1.967 -6.821 1.00 62.04 H new ATOM 0 HH11 ARG A 5 1.503 0.707 -8.528 1.00 0.43 H new ATOM 0 HH12 ARG A 5 2.436 1.943 -7.677 1.00 0.43 H new ATOM 0 HH21 ARG A 5 4.247 -0.374 -5.732 1.00 74.42 H new ATOM 0 HH22 ARG A 5 3.983 1.334 -6.101 1.00 74.42 H new ATOM 83 N TYR A 6 -2.337 -5.813 -7.451 1.00 2.50 N ATOM 84 CA TYR A 6 -2.978 -6.973 -6.844 1.00 64.23 C ATOM 85 C TYR A 6 -3.009 -8.148 -7.817 1.00 21.54 C ATOM 86 O TYR A 6 -3.171 -7.968 -9.024 1.00 14.21 O ATOM 87 CB TYR A 6 -4.400 -6.624 -6.403 1.00 21.12 C ATOM 88 CG TYR A 6 -5.305 -6.217 -7.543 1.00 72.24 C ATOM 89 CD1 TYR A 6 -5.446 -4.882 -7.902 1.00 63.23 C ATOM 90 CD2 TYR A 6 -6.021 -7.167 -8.262 1.00 22.25 C ATOM 91 CE1 TYR A 6 -6.272 -4.506 -8.943 1.00 53.52 C ATOM 92 CE2 TYR A 6 -6.848 -6.800 -9.305 1.00 14.12 C ATOM 93 CZ TYR A 6 -6.971 -5.468 -9.642 1.00 10.03 C ATOM 94 OH TYR A 6 -7.796 -5.098 -10.679 1.00 44.13 O ATOM 0 H TYR A 6 -2.488 -5.726 -8.456 1.00 2.50 H new ATOM 0 HA TYR A 6 -2.395 -7.263 -5.970 1.00 64.23 H new ATOM 0 HB2 TYR A 6 -4.835 -7.484 -5.894 1.00 21.12 H new ATOM 0 HB3 TYR A 6 -4.357 -5.812 -5.677 1.00 21.12 H new ATOM 0 HD1 TYR A 6 -4.900 -4.126 -7.358 1.00 63.23 H new ATOM 0 HD2 TYR A 6 -5.929 -8.211 -8.000 1.00 22.25 H new ATOM 0 HE1 TYR A 6 -6.370 -3.464 -9.208 1.00 53.52 H new ATOM 0 HE2 TYR A 6 -7.396 -7.552 -9.854 1.00 14.12 H new ATOM 0 HH TYR A 6 -8.213 -5.896 -11.066 1.00 44.13 H new ATOM 104 N THR A 7 -2.852 -9.355 -7.281 1.00 74.43 N ATOM 105 CA THR A 7 -2.862 -10.561 -8.099 1.00 60.44 C ATOM 106 C THR A 7 -3.906 -11.555 -7.602 1.00 50.33 C ATOM 107 O THR A 7 -3.793 -12.758 -7.836 1.00 62.32 O ATOM 108 CB THR A 7 -1.482 -11.246 -8.108 1.00 1.45 C ATOM 109 OG1 THR A 7 -0.901 -11.193 -6.800 1.00 12.23 O ATOM 110 CG2 THR A 7 -0.552 -10.576 -9.108 1.00 70.33 C ATOM 0 H THR A 7 -2.716 -9.523 -6.284 1.00 74.43 H new ATOM 0 HA THR A 7 -3.113 -10.251 -9.114 1.00 60.44 H new ATOM 0 HB THR A 7 -1.619 -12.286 -8.403 1.00 1.45 H new ATOM 0 HG1 THR A 7 -0.025 -11.632 -6.813 1.00 12.23 H new ATOM 0 HG21 THR A 7 0.416 -11.077 -9.097 1.00 70.33 H new ATOM 0 HG22 THR A 7 -0.983 -10.642 -10.107 1.00 70.33 H new ATOM 0 HG23 THR A 7 -0.422 -9.528 -8.838 1.00 70.33 H new ATOM 118 N TYR A 8 -4.922 -11.044 -6.916 1.00 53.24 N ATOM 119 CA TYR A 8 -5.986 -11.887 -6.385 1.00 34.13 C ATOM 120 C TYR A 8 -7.090 -11.041 -5.757 1.00 41.11 C ATOM 121 O TYR A 8 -7.111 -9.819 -5.906 1.00 75.14 O ATOM 122 CB TYR A 8 -5.424 -12.862 -5.349 1.00 2.44 C ATOM 123 CG TYR A 8 -4.917 -12.186 -4.094 1.00 75.03 C ATOM 124 CD1 TYR A 8 -5.588 -12.330 -2.886 1.00 4.15 C ATOM 125 CD2 TYR A 8 -3.770 -11.403 -4.118 1.00 21.22 C ATOM 126 CE1 TYR A 8 -5.129 -11.714 -1.737 1.00 32.11 C ATOM 127 CE2 TYR A 8 -3.303 -10.785 -2.974 1.00 15.11 C ATOM 128 CZ TYR A 8 -3.987 -10.943 -1.786 1.00 64.21 C ATOM 129 OH TYR A 8 -3.526 -10.328 -0.645 1.00 1.32 O ATOM 0 H TYR A 8 -5.031 -10.050 -6.715 1.00 53.24 H new ATOM 0 HA TYR A 8 -6.413 -12.453 -7.213 1.00 34.13 H new ATOM 0 HB2 TYR A 8 -6.200 -13.578 -5.078 1.00 2.44 H new ATOM 0 HB3 TYR A 8 -4.610 -13.429 -5.800 1.00 2.44 H new ATOM 0 HD1 TYR A 8 -6.483 -12.933 -2.844 1.00 4.15 H new ATOM 0 HD2 TYR A 8 -3.234 -11.275 -5.047 1.00 21.22 H new ATOM 0 HE1 TYR A 8 -5.662 -11.836 -0.806 1.00 32.11 H new ATOM 0 HE2 TYR A 8 -2.408 -10.182 -3.009 1.00 15.11 H new ATOM 0 HH TYR A 8 -2.711 -9.824 -0.851 1.00 1.32 H new ATOM 139 N ARG A 9 -8.004 -11.700 -5.054 1.00 34.53 N ATOM 140 CA ARG A 9 -9.112 -11.011 -4.403 1.00 42.51 C ATOM 141 C ARG A 9 -8.948 -11.029 -2.886 1.00 43.21 C ATOM 142 O ARG A 9 -9.509 -11.872 -2.186 1.00 63.35 O ATOM 143 CB ARG A 9 -10.442 -11.658 -4.791 1.00 34.24 C ATOM 144 CG ARG A 9 -11.659 -10.845 -4.378 1.00 65.11 C ATOM 145 CD ARG A 9 -12.928 -11.681 -4.420 1.00 71.22 C ATOM 146 NE ARG A 9 -13.289 -12.060 -5.784 1.00 23.53 N ATOM 147 CZ ARG A 9 -13.806 -11.216 -6.669 1.00 34.12 C ATOM 148 NH1 ARG A 9 -14.022 -9.951 -6.336 1.00 35.14 N ATOM 149 NH2 ARG A 9 -14.108 -11.636 -7.891 1.00 35.54 N ATOM 0 H ARG A 9 -8.000 -12.711 -4.920 1.00 34.53 H new ATOM 0 HA ARG A 9 -9.109 -9.974 -4.739 1.00 42.51 H new ATOM 0 HB2 ARG A 9 -10.463 -11.805 -5.871 1.00 34.24 H new ATOM 0 HB3 ARG A 9 -10.503 -12.645 -4.334 1.00 34.24 H new ATOM 0 HG2 ARG A 9 -11.512 -10.455 -3.371 1.00 65.11 H new ATOM 0 HG3 ARG A 9 -11.766 -9.986 -5.040 1.00 65.11 H new ATOM 0 HD2 ARG A 9 -12.790 -12.580 -3.819 1.00 71.22 H new ATOM 0 HD3 ARG A 9 -13.747 -11.119 -3.971 1.00 71.22 H new ATOM 0 HE ARG A 9 -13.135 -13.026 -6.072 1.00 23.53 H new ATOM 0 HH11 ARG A 9 -13.791 -9.624 -5.398 1.00 35.14 H new ATOM 0 HH12 ARG A 9 -14.419 -9.305 -7.018 1.00 35.14 H new ATOM 0 HH21 ARG A 9 -13.943 -12.608 -8.151 1.00 35.54 H new ATOM 0 HH22 ARG A 9 -14.505 -10.987 -8.570 1.00 35.54 H new ATOM 163 N PRO A 10 -8.160 -10.077 -2.364 1.00 41.34 N ATOM 164 CA PRO A 10 -7.903 -9.962 -0.926 1.00 35.03 C ATOM 165 C PRO A 10 -9.135 -9.504 -0.152 1.00 72.30 C ATOM 166 O PRO A 10 -9.711 -8.457 -0.446 1.00 4.40 O ATOM 167 CB PRO A 10 -6.799 -8.906 -0.845 1.00 45.24 C ATOM 168 CG PRO A 10 -6.962 -8.091 -2.082 1.00 74.30 C ATOM 169 CD PRO A 10 -7.459 -9.039 -3.139 1.00 12.41 C ATOM 0 HA PRO A 10 -7.628 -10.920 -0.484 1.00 35.03 H new ATOM 0 HB2 PRO A 10 -6.903 -8.292 0.050 1.00 45.24 H new ATOM 0 HB3 PRO A 10 -5.812 -9.367 -0.802 1.00 45.24 H new ATOM 0 HG2 PRO A 10 -7.670 -7.278 -1.923 1.00 74.30 H new ATOM 0 HG3 PRO A 10 -6.016 -7.637 -2.378 1.00 74.30 H new ATOM 0 HD2 PRO A 10 -8.128 -8.542 -3.842 1.00 12.41 H new ATOM 0 HD3 PRO A 10 -6.638 -9.458 -3.721 1.00 12.41 H new ATOM 177 N SER A 11 -9.534 -10.296 0.838 1.00 35.02 N ATOM 178 CA SER A 11 -10.700 -9.973 1.652 1.00 34.22 C ATOM 179 C SER A 11 -10.336 -8.982 2.754 1.00 75.42 C ATOM 180 O SER A 11 -10.818 -7.850 2.770 1.00 52.40 O ATOM 181 CB SER A 11 -11.287 -11.245 2.268 1.00 62.11 C ATOM 182 OG SER A 11 -10.798 -12.402 1.611 1.00 11.23 O ATOM 0 H SER A 11 -9.067 -11.166 1.096 1.00 35.02 H new ATOM 0 HA SER A 11 -11.447 -9.513 1.005 1.00 34.22 H new ATOM 0 HB2 SER A 11 -11.034 -11.290 3.327 1.00 62.11 H new ATOM 0 HB3 SER A 11 -12.375 -11.217 2.201 1.00 62.11 H new ATOM 0 HG SER A 11 -11.186 -13.201 2.024 1.00 11.23 H new ATOM 188 N VAL A 12 -9.482 -9.418 3.674 1.00 31.13 N ATOM 189 CA VAL A 12 -9.052 -8.571 4.780 1.00 45.42 C ATOM 190 C VAL A 12 -7.551 -8.698 5.018 1.00 71.11 C ATOM 191 O VAL A 12 -7.085 -9.575 5.745 1.00 31.42 O ATOM 192 CB VAL A 12 -9.798 -8.922 6.080 1.00 13.03 C ATOM 193 CG1 VAL A 12 -9.575 -7.846 7.132 1.00 51.21 C ATOM 194 CG2 VAL A 12 -11.283 -9.112 5.807 1.00 24.31 C ATOM 0 H VAL A 12 -9.074 -10.353 3.675 1.00 31.13 H new ATOM 0 HA VAL A 12 -9.288 -7.544 4.501 1.00 45.42 H new ATOM 0 HB VAL A 12 -9.399 -9.860 6.465 1.00 13.03 H new ATOM 0 HG11 VAL A 12 -10.110 -8.112 8.044 1.00 51.21 H new ATOM 0 HG12 VAL A 12 -8.510 -7.763 7.348 1.00 51.21 H new ATOM 0 HG13 VAL A 12 -9.945 -6.891 6.760 1.00 51.21 H new ATOM 0 HG21 VAL A 12 -11.795 -9.360 6.737 1.00 24.31 H new ATOM 0 HG22 VAL A 12 -11.699 -8.191 5.398 1.00 24.31 H new ATOM 0 HG23 VAL A 12 -11.421 -9.922 5.090 1.00 24.31 H new ATOM 204 N PRO A 13 -6.774 -7.802 4.391 1.00 14.13 N ATOM 205 CA PRO A 13 -5.314 -7.792 4.520 1.00 32.44 C ATOM 206 C PRO A 13 -4.858 -7.362 5.910 1.00 21.23 C ATOM 207 O PRO A 13 -5.299 -6.337 6.429 1.00 44.01 O ATOM 208 CB PRO A 13 -4.872 -6.769 3.472 1.00 50.22 C ATOM 209 CG PRO A 13 -6.046 -5.867 3.304 1.00 72.55 C ATOM 210 CD PRO A 13 -7.262 -6.728 3.509 1.00 21.41 C ATOM 0 HA PRO A 13 -4.885 -8.784 4.374 1.00 32.44 H new ATOM 0 HB2 PRO A 13 -3.993 -6.217 3.804 1.00 50.22 H new ATOM 0 HB3 PRO A 13 -4.608 -7.254 2.532 1.00 50.22 H new ATOM 0 HG2 PRO A 13 -6.019 -5.052 4.027 1.00 72.55 H new ATOM 0 HG3 PRO A 13 -6.051 -5.414 2.313 1.00 72.55 H new ATOM 0 HD2 PRO A 13 -8.077 -6.169 3.969 1.00 21.41 H new ATOM 0 HD3 PRO A 13 -7.639 -7.123 2.565 1.00 21.41 H new ATOM 218 N ALA A 14 -3.972 -8.152 6.508 1.00 31.32 N ATOM 219 CA ALA A 14 -3.454 -7.851 7.837 1.00 33.21 C ATOM 220 C ALA A 14 -2.923 -6.424 7.909 1.00 52.41 C ATOM 221 O ALA A 14 -2.954 -5.791 8.965 1.00 33.32 O ATOM 222 CB ALA A 14 -2.363 -8.842 8.215 1.00 13.03 C ATOM 0 H ALA A 14 -3.598 -9.005 6.093 1.00 31.32 H new ATOM 0 HA ALA A 14 -4.274 -7.942 8.549 1.00 33.21 H new ATOM 0 HB1 ALA A 14 -1.985 -8.605 9.210 1.00 13.03 H new ATOM 0 HB2 ALA A 14 -2.772 -9.852 8.213 1.00 13.03 H new ATOM 0 HB3 ALA A 14 -1.549 -8.779 7.493 1.00 13.03 H new ATOM 228 N HIS A 15 -2.435 -5.921 6.779 1.00 32.11 N ATOM 229 CA HIS A 15 -1.897 -4.567 6.714 1.00 22.15 C ATOM 230 C HIS A 15 -2.022 -3.999 5.304 1.00 62.42 C ATOM 231 O HIS A 15 -1.702 -4.672 4.323 1.00 11.33 O ATOM 232 CB HIS A 15 -0.432 -4.557 7.153 1.00 51.40 C ATOM 233 CG HIS A 15 0.390 -5.638 6.522 1.00 33.45 C ATOM 234 ND1 HIS A 15 0.849 -6.737 7.218 1.00 0.21 N ATOM 235 CD2 HIS A 15 0.833 -5.787 5.252 1.00 31.02 C ATOM 236 CE1 HIS A 15 1.541 -7.513 6.403 1.00 33.44 C ATOM 237 NE2 HIS A 15 1.546 -6.960 5.204 1.00 14.22 N ATOM 0 H HIS A 15 -2.401 -6.431 5.896 1.00 32.11 H new ATOM 0 HA HIS A 15 -2.476 -3.939 7.391 1.00 22.15 H new ATOM 0 HB2 HIS A 15 0.006 -3.589 6.908 1.00 51.40 H new ATOM 0 HB3 HIS A 15 -0.385 -4.662 8.237 1.00 51.40 H new ATOM 0 HD2 HIS A 15 0.658 -5.110 4.429 1.00 31.02 H new ATOM 0 HE1 HIS A 15 2.021 -8.442 6.672 1.00 33.44 H new ATOM 0 HE2 HIS A 15 2.005 -7.342 4.377 1.00 14.22 H new ATOM 245 N ARG A 16 -2.489 -2.759 5.210 1.00 54.04 N ATOM 246 CA ARG A 16 -2.659 -2.102 3.919 1.00 25.21 C ATOM 247 C ARG A 16 -1.861 -0.803 3.862 1.00 40.43 C ATOM 248 O ARG A 16 -2.340 0.209 3.350 1.00 13.40 O ATOM 249 CB ARG A 16 -4.139 -1.817 3.658 1.00 4.32 C ATOM 250 CG ARG A 16 -4.756 -0.846 4.652 1.00 60.03 C ATOM 251 CD ARG A 16 -6.275 -0.922 4.635 1.00 64.41 C ATOM 252 NE ARG A 16 -6.827 -0.547 3.336 1.00 32.12 N ATOM 253 CZ ARG A 16 -8.120 -0.329 3.123 1.00 71.43 C ATOM 254 NH1 ARG A 16 -8.989 -0.449 4.117 1.00 2.52 N ATOM 255 NH2 ARG A 16 -8.546 0.009 1.912 1.00 32.25 N ATOM 0 H ARG A 16 -2.757 -2.189 6.012 1.00 54.04 H new ATOM 0 HA ARG A 16 -2.285 -2.773 3.146 1.00 25.21 H new ATOM 0 HB2 ARG A 16 -4.251 -1.414 2.652 1.00 4.32 H new ATOM 0 HB3 ARG A 16 -4.692 -2.756 3.689 1.00 4.32 H new ATOM 0 HG2 ARG A 16 -4.391 -1.069 5.655 1.00 60.03 H new ATOM 0 HG3 ARG A 16 -4.439 0.170 4.415 1.00 60.03 H new ATOM 0 HD2 ARG A 16 -6.590 -1.935 4.884 1.00 64.41 H new ATOM 0 HD3 ARG A 16 -6.680 -0.264 5.404 1.00 64.41 H new ATOM 0 HE ARG A 16 -6.185 -0.447 2.550 1.00 32.12 H new ATOM 0 HH11 ARG A 16 -8.665 -0.709 5.049 1.00 2.52 H new ATOM 0 HH12 ARG A 16 -9.981 -0.281 3.950 1.00 2.52 H new ATOM 0 HH21 ARG A 16 -7.880 0.101 1.145 1.00 32.25 H new ATOM 0 HH22 ARG A 16 -9.539 0.176 1.749 1.00 32.25 H new ATOM 269 N ARG A 17 -0.642 -0.838 4.391 1.00 73.53 N ATOM 270 CA ARG A 17 0.221 0.336 4.401 1.00 12.53 C ATOM 271 C ARG A 17 1.685 -0.063 4.240 1.00 53.24 C ATOM 272 O ARG A 17 2.016 -1.248 4.204 1.00 75.13 O ATOM 273 CB ARG A 17 0.035 1.120 5.702 1.00 25.01 C ATOM 274 CG ARG A 17 -1.087 2.143 5.642 1.00 31.02 C ATOM 275 CD ARG A 17 -0.746 3.290 4.704 1.00 2.33 C ATOM 276 NE ARG A 17 -0.131 4.411 5.411 1.00 33.22 N ATOM 277 CZ ARG A 17 -0.783 5.180 6.276 1.00 23.05 C ATOM 278 NH1 ARG A 17 -2.062 4.950 6.541 1.00 45.44 N ATOM 279 NH2 ARG A 17 -0.155 6.181 6.880 1.00 65.10 N ATOM 0 H ARG A 17 -0.230 -1.668 4.818 1.00 73.53 H new ATOM 0 HA ARG A 17 -0.059 0.969 3.559 1.00 12.53 H new ATOM 0 HB2 ARG A 17 -0.166 0.420 6.513 1.00 25.01 H new ATOM 0 HB3 ARG A 17 0.967 1.630 5.945 1.00 25.01 H new ATOM 0 HG2 ARG A 17 -2.005 1.659 5.308 1.00 31.02 H new ATOM 0 HG3 ARG A 17 -1.278 2.534 6.641 1.00 31.02 H new ATOM 0 HD2 ARG A 17 -0.068 2.935 3.928 1.00 2.33 H new ATOM 0 HD3 ARG A 17 -1.652 3.631 4.203 1.00 2.33 H new ATOM 0 HE ARG A 17 0.852 4.614 5.231 1.00 33.22 H new ATOM 0 HH11 ARG A 17 -2.548 4.181 6.080 1.00 45.44 H new ATOM 0 HH12 ARG A 17 -2.560 5.542 7.206 1.00 45.44 H new ATOM 0 HH21 ARG A 17 0.829 6.360 6.680 1.00 65.10 H new ATOM 0 HH22 ARG A 17 -0.656 6.771 7.544 1.00 65.10 H new ATOM 293 N VAL A 18 2.558 0.935 4.142 1.00 74.10 N ATOM 294 CA VAL A 18 3.986 0.688 3.985 1.00 50.34 C ATOM 295 C VAL A 18 4.665 0.511 5.338 1.00 44.31 C ATOM 296 O VAL A 18 5.703 -0.143 5.442 1.00 1.10 O ATOM 297 CB VAL A 18 4.673 1.838 3.224 1.00 64.42 C ATOM 298 CG1 VAL A 18 4.563 3.137 4.006 1.00 51.40 C ATOM 299 CG2 VAL A 18 6.129 1.496 2.945 1.00 23.40 C ATOM 0 H VAL A 18 2.301 1.922 4.169 1.00 74.10 H new ATOM 0 HA VAL A 18 4.087 -0.231 3.408 1.00 50.34 H new ATOM 0 HB VAL A 18 4.165 1.973 2.269 1.00 64.42 H new ATOM 0 HG11 VAL A 18 5.054 3.938 3.453 1.00 51.40 H new ATOM 0 HG12 VAL A 18 3.512 3.387 4.150 1.00 51.40 H new ATOM 0 HG13 VAL A 18 5.044 3.019 4.977 1.00 51.40 H new ATOM 0 HG21 VAL A 18 6.599 2.319 2.407 1.00 23.40 H new ATOM 0 HG22 VAL A 18 6.652 1.333 3.888 1.00 23.40 H new ATOM 0 HG23 VAL A 18 6.181 0.591 2.340 1.00 23.40 H new ATOM 309 N ARG A 19 4.073 1.098 6.373 1.00 51.34 N ATOM 310 CA ARG A 19 4.621 1.006 7.720 1.00 4.12 C ATOM 311 C ARG A 19 3.526 0.681 8.732 1.00 42.12 C ATOM 312 O ARG A 19 3.154 1.522 9.549 1.00 1.30 O ATOM 313 CB ARG A 19 5.312 2.316 8.103 1.00 11.35 C ATOM 314 CG ARG A 19 6.576 2.594 7.306 1.00 12.53 C ATOM 315 CD ARG A 19 7.777 1.873 7.897 1.00 60.35 C ATOM 316 NE ARG A 19 7.841 0.477 7.470 1.00 42.42 N ATOM 317 CZ ARG A 19 8.527 -0.458 8.117 1.00 34.32 C ATOM 318 NH1 ARG A 19 9.202 -0.149 9.215 1.00 23.44 N ATOM 319 NH2 ARG A 19 8.537 -1.706 7.667 1.00 74.34 N ATOM 0 H ARG A 19 3.213 1.643 6.304 1.00 51.34 H new ATOM 0 HA ARG A 19 5.354 0.199 7.732 1.00 4.12 H new ATOM 0 HB2 ARG A 19 4.614 3.141 7.960 1.00 11.35 H new ATOM 0 HB3 ARG A 19 5.560 2.289 9.164 1.00 11.35 H new ATOM 0 HG2 ARG A 19 6.433 2.278 6.273 1.00 12.53 H new ATOM 0 HG3 ARG A 19 6.767 3.667 7.288 1.00 12.53 H new ATOM 0 HD2 ARG A 19 8.691 2.386 7.598 1.00 60.35 H new ATOM 0 HD3 ARG A 19 7.728 1.918 8.985 1.00 60.35 H new ATOM 0 HE ARG A 19 7.331 0.206 6.629 1.00 42.42 H new ATOM 0 HH11 ARG A 19 9.195 0.809 9.565 1.00 23.44 H new ATOM 0 HH12 ARG A 19 9.728 -0.869 9.710 1.00 23.44 H new ATOM 0 HH21 ARG A 19 8.017 -1.948 6.823 1.00 74.34 H new ATOM 0 HH22 ARG A 19 9.064 -2.423 8.165 1.00 74.34 H new ATOM 333 N GLU A 20 3.015 -0.544 8.669 1.00 33.44 N ATOM 334 CA GLU A 20 1.961 -0.979 9.579 1.00 24.13 C ATOM 335 C GLU A 20 2.178 -2.427 10.010 1.00 52.11 C ATOM 336 O GLU A 20 2.728 -3.233 9.260 1.00 21.21 O ATOM 337 CB GLU A 20 0.591 -0.832 8.915 1.00 33.34 C ATOM 338 CG GLU A 20 -0.559 -0.747 9.905 1.00 30.32 C ATOM 339 CD GLU A 20 -1.895 -1.095 9.279 1.00 73.35 C ATOM 340 OE1 GLU A 20 -2.937 -0.793 9.898 1.00 41.33 O ATOM 341 OE2 GLU A 20 -1.900 -1.670 8.170 1.00 43.10 O ATOM 0 H GLU A 20 3.313 -1.252 7.998 1.00 33.44 H new ATOM 0 HA GLU A 20 1.996 -0.345 10.465 1.00 24.13 H new ATOM 0 HB2 GLU A 20 0.592 0.064 8.294 1.00 33.34 H new ATOM 0 HB3 GLU A 20 0.426 -1.680 8.251 1.00 33.34 H new ATOM 0 HG2 GLU A 20 -0.366 -1.422 10.739 1.00 30.32 H new ATOM 0 HG3 GLU A 20 -0.606 0.262 10.316 1.00 30.32 H new ATOM 348 N SER A 21 1.741 -2.749 11.223 1.00 1.24 N ATOM 349 CA SER A 21 1.890 -4.098 11.757 1.00 44.33 C ATOM 350 C SER A 21 1.004 -4.299 12.982 1.00 0.41 C ATOM 351 O SER A 21 1.475 -4.352 14.118 1.00 32.45 O ATOM 352 CB SER A 21 3.352 -4.366 12.121 1.00 71.01 C ATOM 353 OG SER A 21 4.126 -4.628 10.963 1.00 21.33 O ATOM 0 H SER A 21 1.281 -2.094 11.855 1.00 1.24 H new ATOM 0 HA SER A 21 1.579 -4.804 10.986 1.00 44.33 H new ATOM 0 HB2 SER A 21 3.762 -3.505 12.649 1.00 71.01 H new ATOM 0 HB3 SER A 21 3.411 -5.215 12.801 1.00 71.01 H new ATOM 0 HG SER A 21 3.578 -4.482 10.164 1.00 21.33 H new ATOM 359 N PRO A 22 -0.312 -4.412 12.747 1.00 24.43 N ATOM 360 CA PRO A 22 -1.293 -4.610 13.818 1.00 3.35 C ATOM 361 C PRO A 22 -1.187 -5.992 14.454 1.00 12.30 C ATOM 362 O PRO A 22 -0.926 -6.982 13.770 1.00 25.43 O ATOM 363 CB PRO A 22 -2.636 -4.452 13.102 1.00 14.44 C ATOM 364 CG PRO A 22 -2.353 -4.806 11.683 1.00 33.14 C ATOM 365 CD PRO A 22 -0.943 -4.358 11.418 1.00 43.20 C ATOM 0 HA PRO A 22 -1.147 -3.908 14.639 1.00 3.35 H new ATOM 0 HB2 PRO A 22 -3.393 -5.109 13.531 1.00 14.44 H new ATOM 0 HB3 PRO A 22 -3.013 -3.433 13.188 1.00 14.44 H new ATOM 0 HG2 PRO A 22 -2.459 -5.878 11.520 1.00 33.14 H new ATOM 0 HG3 PRO A 22 -3.053 -4.311 11.010 1.00 33.14 H new ATOM 0 HD2 PRO A 22 -0.440 -5.014 10.707 1.00 43.20 H new ATOM 0 HD3 PRO A 22 -0.913 -3.352 11.000 1.00 43.20 H new ATOM 373 N LEU A 23 -1.392 -6.052 15.765 1.00 35.11 N ATOM 374 CA LEU A 23 -1.321 -7.314 16.493 1.00 21.14 C ATOM 375 C LEU A 23 -2.717 -7.822 16.841 1.00 25.01 C ATOM 376 O LEU A 23 -3.054 -8.974 16.570 1.00 71.23 O ATOM 377 CB LEU A 23 -0.495 -7.143 17.770 1.00 55.22 C ATOM 378 CG LEU A 23 1.022 -7.094 17.586 1.00 32.24 C ATOM 379 CD1 LEU A 23 1.511 -8.333 16.851 1.00 14.45 C ATOM 380 CD2 LEU A 23 1.429 -5.833 16.839 1.00 55.22 C ATOM 0 H LEU A 23 -1.609 -5.242 16.346 1.00 35.11 H new ATOM 0 HA LEU A 23 -0.837 -8.049 15.850 1.00 21.14 H new ATOM 0 HB2 LEU A 23 -0.811 -6.224 18.263 1.00 55.22 H new ATOM 0 HB3 LEU A 23 -0.733 -7.965 18.445 1.00 55.22 H new ATOM 0 HG LEU A 23 1.487 -7.074 18.571 1.00 32.24 H new ATOM 0 HD11 LEU A 23 2.593 -8.281 16.729 1.00 14.45 H new ATOM 0 HD12 LEU A 23 1.253 -9.222 17.426 1.00 14.45 H new ATOM 0 HD13 LEU A 23 1.038 -8.385 15.871 1.00 14.45 H new ATOM 0 HD21 LEU A 23 2.512 -5.816 16.718 1.00 55.22 H new ATOM 0 HD22 LEU A 23 0.954 -5.822 15.858 1.00 55.22 H new ATOM 0 HD23 LEU A 23 1.113 -4.957 17.405 1.00 55.22 H new ATOM 392 N SER A 24 -3.524 -6.954 17.441 1.00 12.43 N ATOM 393 CA SER A 24 -4.883 -7.315 17.828 1.00 53.44 C ATOM 394 C SER A 24 -5.877 -6.939 16.733 1.00 71.25 C ATOM 395 O SER A 24 -6.961 -6.427 17.012 1.00 42.33 O ATOM 396 CB SER A 24 -5.265 -6.622 19.137 1.00 23.34 C ATOM 397 OG SER A 24 -5.304 -5.215 18.978 1.00 54.24 O ATOM 0 H SER A 24 -3.261 -5.996 17.670 1.00 12.43 H new ATOM 0 HA SER A 24 -4.918 -8.395 17.973 1.00 53.44 H new ATOM 0 HB2 SER A 24 -6.239 -6.980 19.471 1.00 23.34 H new ATOM 0 HB3 SER A 24 -4.546 -6.883 19.913 1.00 23.34 H new ATOM 0 HG SER A 24 -5.552 -4.796 19.829 1.00 54.24 H new ATOM 403 N SER A 25 -5.499 -7.198 15.485 1.00 70.51 N ATOM 404 CA SER A 25 -6.354 -6.885 14.346 1.00 13.22 C ATOM 405 C SER A 25 -7.380 -7.991 14.116 1.00 3.10 C ATOM 406 O SER A 25 -8.543 -7.721 13.818 1.00 34.41 O ATOM 407 CB SER A 25 -5.510 -6.687 13.086 1.00 4.32 C ATOM 408 OG SER A 25 -4.345 -7.494 13.121 1.00 52.43 O ATOM 0 H SER A 25 -4.606 -7.624 15.237 1.00 70.51 H new ATOM 0 HA SER A 25 -6.886 -5.960 14.567 1.00 13.22 H new ATOM 0 HB2 SER A 25 -6.102 -6.935 12.205 1.00 4.32 H new ATOM 0 HB3 SER A 25 -5.227 -5.638 12.995 1.00 4.32 H new ATOM 0 HG SER A 25 -3.823 -7.351 12.304 1.00 52.43 H new ATOM 414 N ASP A 26 -6.939 -9.236 14.256 1.00 23.03 N ATOM 415 CA ASP A 26 -7.817 -10.384 14.065 1.00 20.40 C ATOM 416 C ASP A 26 -9.004 -10.326 15.022 1.00 63.21 C ATOM 417 O ASP A 26 -10.044 -10.934 14.773 1.00 15.21 O ATOM 418 CB ASP A 26 -7.042 -11.686 14.273 1.00 61.53 C ATOM 419 CG ASP A 26 -6.606 -11.878 15.712 1.00 11.41 C ATOM 420 OD1 ASP A 26 -6.234 -10.875 16.358 1.00 65.33 O ATOM 421 OD2 ASP A 26 -6.638 -13.029 16.193 1.00 35.24 O ATOM 0 H ASP A 26 -5.978 -9.476 14.501 1.00 23.03 H new ATOM 0 HA ASP A 26 -8.195 -10.354 13.043 1.00 20.40 H new ATOM 0 HB2 ASP A 26 -7.664 -12.528 13.970 1.00 61.53 H new ATOM 0 HB3 ASP A 26 -6.164 -11.690 13.627 1.00 61.53 H new ATOM 426 N ALA A 27 -8.839 -9.592 16.117 1.00 4.03 N ATOM 427 CA ALA A 27 -9.896 -9.454 17.111 1.00 51.21 C ATOM 428 C ALA A 27 -11.203 -9.007 16.464 1.00 64.14 C ATOM 429 O ALA A 27 -12.288 -9.325 16.951 1.00 42.21 O ATOM 430 CB ALA A 27 -9.478 -8.470 18.194 1.00 62.05 C ATOM 0 H ALA A 27 -7.983 -9.083 16.338 1.00 4.03 H new ATOM 0 HA ALA A 27 -10.061 -10.430 17.567 1.00 51.21 H new ATOM 0 HB1 ALA A 27 -10.277 -8.377 18.929 1.00 62.05 H new ATOM 0 HB2 ALA A 27 -8.574 -8.831 18.684 1.00 62.05 H new ATOM 0 HB3 ALA A 27 -9.283 -7.496 17.745 1.00 62.05 H new ATOM 436 N ILE A 28 -11.091 -8.269 15.365 1.00 43.34 N ATOM 437 CA ILE A 28 -12.264 -7.779 14.651 1.00 23.02 C ATOM 438 C ILE A 28 -13.234 -8.915 14.344 1.00 11.43 C ATOM 439 O ILE A 28 -14.451 -8.733 14.381 1.00 12.45 O ATOM 440 CB ILE A 28 -11.872 -7.083 13.334 1.00 21.52 C ATOM 441 CG1 ILE A 28 -10.924 -5.915 13.612 1.00 41.05 C ATOM 442 CG2 ILE A 28 -13.114 -6.602 12.600 1.00 52.04 C ATOM 443 CD1 ILE A 28 -10.169 -5.446 12.388 1.00 50.34 C ATOM 0 H ILE A 28 -10.200 -7.997 14.949 1.00 43.34 H new ATOM 0 HA ILE A 28 -12.751 -7.054 15.304 1.00 23.02 H new ATOM 0 HB ILE A 28 -11.355 -7.802 12.699 1.00 21.52 H new ATOM 0 HG12 ILE A 28 -11.497 -5.081 14.017 1.00 41.05 H new ATOM 0 HG13 ILE A 28 -10.209 -6.213 14.379 1.00 41.05 H new ATOM 0 HG21 ILE A 28 -12.821 -6.112 11.671 1.00 52.04 H new ATOM 0 HG22 ILE A 28 -13.756 -7.454 12.374 1.00 52.04 H new ATOM 0 HG23 ILE A 28 -13.657 -5.895 13.228 1.00 52.04 H new ATOM 0 HD11 ILE A 28 -9.516 -4.616 12.659 1.00 50.34 H new ATOM 0 HD12 ILE A 28 -9.569 -6.266 11.994 1.00 50.34 H new ATOM 0 HD13 ILE A 28 -10.877 -5.117 11.628 1.00 50.34 H new ATOM 455 N PHE A 29 -12.687 -10.088 14.042 1.00 12.55 N ATOM 456 CA PHE A 29 -13.504 -11.254 13.730 1.00 73.22 C ATOM 457 C PHE A 29 -13.939 -11.971 15.005 1.00 62.43 C ATOM 458 O PHE A 29 -14.967 -12.649 15.031 1.00 44.33 O ATOM 459 CB PHE A 29 -12.731 -12.218 12.827 1.00 10.14 C ATOM 460 CG PHE A 29 -13.610 -13.199 12.106 1.00 61.13 C ATOM 461 CD1 PHE A 29 -13.896 -13.034 10.760 1.00 1.11 C ATOM 462 CD2 PHE A 29 -14.150 -14.286 12.773 1.00 34.41 C ATOM 463 CE1 PHE A 29 -14.704 -13.935 10.093 1.00 70.11 C ATOM 464 CE2 PHE A 29 -14.959 -15.191 12.111 1.00 23.11 C ATOM 465 CZ PHE A 29 -15.237 -15.015 10.770 1.00 41.43 C ATOM 0 H PHE A 29 -11.682 -10.256 14.007 1.00 12.55 H new ATOM 0 HA PHE A 29 -14.396 -10.912 13.205 1.00 73.22 H new ATOM 0 HB2 PHE A 29 -12.165 -11.642 12.094 1.00 10.14 H new ATOM 0 HB3 PHE A 29 -12.007 -12.766 13.430 1.00 10.14 H new ATOM 0 HD1 PHE A 29 -13.482 -12.191 10.226 1.00 1.11 H new ATOM 0 HD2 PHE A 29 -13.937 -14.428 13.822 1.00 34.41 H new ATOM 0 HE1 PHE A 29 -14.919 -13.795 9.044 1.00 70.11 H new ATOM 0 HE2 PHE A 29 -15.373 -16.035 12.642 1.00 23.11 H new ATOM 0 HZ PHE A 29 -15.870 -15.720 10.251 1.00 41.43 H new ATOM 475 N LYS A 30 -13.148 -11.818 16.061 1.00 21.23 N ATOM 476 CA LYS A 30 -13.449 -12.449 17.341 1.00 63.32 C ATOM 477 C LYS A 30 -14.763 -11.924 17.911 1.00 64.42 C ATOM 478 O LYS A 30 -15.435 -12.613 18.678 1.00 50.21 O ATOM 479 CB LYS A 30 -12.313 -12.199 18.336 1.00 60.54 C ATOM 480 CG LYS A 30 -12.372 -13.093 19.563 1.00 41.42 C ATOM 481 CD LYS A 30 -11.505 -12.553 20.688 1.00 45.35 C ATOM 482 CE LYS A 30 -10.060 -13.007 20.544 1.00 1.53 C ATOM 483 NZ LYS A 30 -9.295 -12.136 19.609 1.00 10.33 N ATOM 0 H LYS A 30 -12.293 -11.262 16.056 1.00 21.23 H new ATOM 0 HA LYS A 30 -13.548 -13.522 17.174 1.00 63.32 H new ATOM 0 HB2 LYS A 30 -11.359 -12.351 17.831 1.00 60.54 H new ATOM 0 HB3 LYS A 30 -12.343 -11.157 18.654 1.00 60.54 H new ATOM 0 HG2 LYS A 30 -13.404 -13.176 19.905 1.00 41.42 H new ATOM 0 HG3 LYS A 30 -12.042 -14.098 19.299 1.00 41.42 H new ATOM 0 HD2 LYS A 30 -11.547 -11.464 20.691 1.00 45.35 H new ATOM 0 HD3 LYS A 30 -11.900 -12.889 21.647 1.00 45.35 H new ATOM 0 HE2 LYS A 30 -9.578 -13.001 21.522 1.00 1.53 H new ATOM 0 HE3 LYS A 30 -10.037 -14.035 20.183 1.00 1.53 H new ATOM 0 HZ1 LYS A 30 -8.298 -12.103 19.903 1.00 10.33 H new ATOM 0 HZ2 LYS A 30 -9.359 -12.521 18.645 1.00 10.33 H new ATOM 0 HZ3 LYS A 30 -9.693 -11.175 19.625 1.00 10.33 H new ATOM 497 N GLN A 31 -15.122 -10.703 17.529 1.00 1.04 N ATOM 498 CA GLN A 31 -16.356 -10.088 18.003 1.00 50.52 C ATOM 499 C GLN A 31 -17.548 -11.012 17.775 1.00 44.33 C ATOM 500 O GLN A 31 -18.520 -10.985 18.529 1.00 1.11 O ATOM 501 CB GLN A 31 -16.589 -8.752 17.295 1.00 42.41 C ATOM 502 CG GLN A 31 -17.701 -7.921 17.914 1.00 2.42 C ATOM 503 CD GLN A 31 -17.768 -6.518 17.344 1.00 40.34 C ATOM 504 OE1 GLN A 31 -16.757 -5.961 16.914 1.00 53.13 O ATOM 505 NE2 GLN A 31 -18.963 -5.938 17.336 1.00 5.23 N ATOM 0 H GLN A 31 -14.577 -10.121 16.893 1.00 1.04 H new ATOM 0 HA GLN A 31 -16.256 -9.912 19.074 1.00 50.52 H new ATOM 0 HB2 GLN A 31 -15.664 -8.176 17.311 1.00 42.41 H new ATOM 0 HB3 GLN A 31 -16.828 -8.942 16.249 1.00 42.41 H new ATOM 0 HG2 GLN A 31 -18.656 -8.421 17.752 1.00 2.42 H new ATOM 0 HG3 GLN A 31 -17.550 -7.864 18.992 1.00 2.42 H new ATOM 0 HE21 GLN A 31 -19.774 -6.436 17.702 1.00 5.23 H new ATOM 0 HE22 GLN A 31 -19.069 -4.994 16.963 1.00 5.23 H new ATOM 514 N SER A 32 -17.465 -11.828 16.729 1.00 31.42 N ATOM 515 CA SER A 32 -18.539 -12.758 16.399 1.00 23.31 C ATOM 516 C SER A 32 -18.858 -13.663 17.586 1.00 40.25 C ATOM 517 O SER A 32 -20.022 -13.855 17.939 1.00 2.33 O ATOM 518 CB SER A 32 -18.152 -13.607 15.186 1.00 12.30 C ATOM 519 OG SER A 32 -17.458 -12.833 14.223 1.00 52.12 O ATOM 0 H SER A 32 -16.666 -11.864 16.096 1.00 31.42 H new ATOM 0 HA SER A 32 -19.429 -12.176 16.158 1.00 23.31 H new ATOM 0 HB2 SER A 32 -17.527 -14.441 15.506 1.00 12.30 H new ATOM 0 HB3 SER A 32 -19.048 -14.035 14.736 1.00 12.30 H new ATOM 0 HG SER A 32 -16.503 -12.820 14.441 1.00 52.12 H new ATOM 525 N HIS A 33 -17.815 -14.217 18.197 1.00 55.43 N ATOM 526 CA HIS A 33 -17.983 -15.101 19.344 1.00 34.04 C ATOM 527 C HIS A 33 -18.187 -14.297 20.625 1.00 40.21 C ATOM 528 O HIS A 33 -18.158 -13.066 20.607 1.00 10.20 O ATOM 529 CB HIS A 33 -16.768 -16.017 19.491 1.00 1.24 C ATOM 530 CG HIS A 33 -17.061 -17.287 20.229 1.00 4.12 C ATOM 531 ND1 HIS A 33 -16.739 -18.534 19.737 1.00 21.33 N ATOM 532 CD2 HIS A 33 -17.647 -17.498 21.431 1.00 55.25 C ATOM 533 CE1 HIS A 33 -17.117 -19.458 20.603 1.00 2.53 C ATOM 534 NE2 HIS A 33 -17.671 -18.855 21.640 1.00 44.31 N ATOM 0 H HIS A 33 -16.845 -14.069 17.917 1.00 55.43 H new ATOM 0 HA HIS A 33 -18.870 -15.711 19.174 1.00 34.04 H new ATOM 0 HB2 HIS A 33 -16.386 -16.262 18.500 1.00 1.24 H new ATOM 0 HB3 HIS A 33 -15.978 -15.477 20.013 1.00 1.24 H new ATOM 0 HD2 HIS A 33 -18.025 -16.740 22.101 1.00 55.25 H new ATOM 0 HE1 HIS A 33 -16.994 -20.524 20.483 1.00 2.53 H new ATOM 0 HE2 HIS A 33 -18.054 -19.322 22.462 1.00 44.31 H new TER 542 HIS A 33