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 Set 1.1: A 1 ASN N :NH3+ 149:sc= 1.23 (180deg=0) USER MOD Set 1.2: A 15 HIS : no HE2:sc= 0.568 K(o=1.8,f=-4.8!) USER MOD Single : A 1 ASN : amide:sc= -0.411 X(o=-0.41,f=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot -42:sc= 1.06 USER MOD Single : A 8 TYR OH : rot 180:sc= -0.0485 USER MOD Single : A 11 SER OG : rot 180:sc= 0.0558 USER MOD Single : A 21 SER OG : rot 58:sc= 0.559 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.148 X(o=-0.15,f=-0.49) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 3.723 -3.034 1.704 1.00 73.21 N ATOM 2 CA ASN A 1 2.705 -2.190 1.090 1.00 52.44 C ATOM 3 C ASN A 1 2.021 -2.915 -0.065 1.00 53.23 C ATOM 4 O ASN A 1 2.682 -3.477 -0.938 1.00 71.13 O ATOM 5 CB ASN A 1 3.329 -0.885 0.589 1.00 35.15 C ATOM 6 CG ASN A 1 2.302 0.218 0.417 1.00 70.30 C ATOM 7 OD1 ASN A 1 2.269 1.176 1.189 1.00 51.44 O ATOM 8 ND2 ASN A 1 1.457 0.086 -0.599 1.00 64.13 N ATOM 0 H1 ASN A 1 4.490 -2.438 2.076 1.00 73.21 H new ATOM 0 H2 ASN A 1 3.299 -3.579 2.482 1.00 73.21 H new ATOM 0 H3 ASN A 1 4.107 -3.688 0.992 1.00 73.21 H new ATOM 0 HA ASN A 1 1.955 -1.960 1.847 1.00 52.44 H new ATOM 0 HB2 ASN A 1 4.095 -0.558 1.292 1.00 35.15 H new ATOM 0 HB3 ASN A 1 3.827 -1.066 -0.364 1.00 35.15 H new ATOM 0 HD21 ASN A 1 0.744 0.796 -0.765 1.00 64.13 H new ATOM 0 HD22 ASN A 1 1.521 -0.725 -1.214 1.00 64.13 H new ATOM 15 N VAL A 2 0.692 -2.897 -0.064 1.00 35.23 N ATOM 16 CA VAL A 2 -0.083 -3.551 -1.112 1.00 30.24 C ATOM 17 C VAL A 2 -0.259 -2.635 -2.317 1.00 74.25 C ATOM 18 O VAL A 2 -0.471 -1.431 -2.170 1.00 22.32 O ATOM 19 CB VAL A 2 -1.471 -3.980 -0.599 1.00 62.12 C ATOM 20 CG1 VAL A 2 -2.317 -2.761 -0.264 1.00 25.10 C ATOM 21 CG2 VAL A 2 -2.170 -4.858 -1.626 1.00 44.14 C ATOM 0 H VAL A 2 0.129 -2.436 0.651 1.00 35.23 H new ATOM 0 HA VAL A 2 0.475 -4.438 -1.412 1.00 30.24 H new ATOM 0 HB VAL A 2 -1.338 -4.562 0.313 1.00 62.12 H new ATOM 0 HG11 VAL A 2 -3.294 -3.084 0.097 1.00 25.10 H new ATOM 0 HG12 VAL A 2 -1.820 -2.175 0.509 1.00 25.10 H new ATOM 0 HG13 VAL A 2 -2.444 -2.150 -1.157 1.00 25.10 H new ATOM 0 HG21 VAL A 2 -3.149 -5.152 -1.247 1.00 44.14 H new ATOM 0 HG22 VAL A 2 -2.292 -4.303 -2.556 1.00 44.14 H new ATOM 0 HG23 VAL A 2 -1.570 -5.749 -1.811 1.00 44.14 H new ATOM 31 N ASP A 3 -0.172 -3.213 -3.510 1.00 63.23 N ATOM 32 CA ASP A 3 -0.323 -2.449 -4.743 1.00 72.32 C ATOM 33 C ASP A 3 -1.796 -2.304 -5.115 1.00 4.43 C ATOM 34 O ASP A 3 -2.677 -2.776 -4.397 1.00 74.12 O ATOM 35 CB ASP A 3 0.439 -3.125 -5.884 1.00 60.10 C ATOM 36 CG ASP A 3 1.937 -3.136 -5.653 1.00 3.13 C ATOM 37 OD1 ASP A 3 2.648 -3.839 -6.401 1.00 64.10 O ATOM 38 OD2 ASP A 3 2.399 -2.441 -4.724 1.00 52.40 O ATOM 0 H ASP A 3 0.002 -4.208 -3.649 1.00 63.23 H new ATOM 0 HA ASP A 3 0.092 -1.455 -4.578 1.00 72.32 H new ATOM 0 HB2 ASP A 3 0.084 -4.149 -5.997 1.00 60.10 H new ATOM 0 HB3 ASP A 3 0.222 -2.608 -6.819 1.00 60.10 H new ATOM 43 N VAL A 4 -2.054 -1.645 -6.240 1.00 75.53 N ATOM 44 CA VAL A 4 -3.420 -1.437 -6.707 1.00 62.34 C ATOM 45 C VAL A 4 -3.844 -2.538 -7.673 1.00 32.22 C ATOM 46 O VAL A 4 -4.834 -2.400 -8.391 1.00 73.04 O ATOM 47 CB VAL A 4 -3.573 -0.072 -7.404 1.00 3.02 C ATOM 48 CG1 VAL A 4 -3.197 1.056 -6.455 1.00 41.45 C ATOM 49 CG2 VAL A 4 -2.727 -0.021 -8.667 1.00 73.35 C ATOM 0 H VAL A 4 -1.336 -1.246 -6.845 1.00 75.53 H new ATOM 0 HA VAL A 4 -4.063 -1.462 -5.827 1.00 62.34 H new ATOM 0 HB VAL A 4 -4.617 0.057 -7.689 1.00 3.02 H new ATOM 0 HG11 VAL A 4 -3.311 2.013 -6.964 1.00 41.45 H new ATOM 0 HG12 VAL A 4 -3.849 1.030 -5.582 1.00 41.45 H new ATOM 0 HG13 VAL A 4 -2.161 0.935 -6.138 1.00 41.45 H new ATOM 0 HG21 VAL A 4 -2.847 0.950 -9.147 1.00 73.35 H new ATOM 0 HG22 VAL A 4 -1.679 -0.171 -8.409 1.00 73.35 H new ATOM 0 HG23 VAL A 4 -3.048 -0.806 -9.352 1.00 73.35 H new ATOM 59 N ARG A 5 -3.089 -3.632 -7.684 1.00 1.33 N ATOM 60 CA ARG A 5 -3.386 -4.757 -8.562 1.00 13.05 C ATOM 61 C ARG A 5 -3.503 -6.053 -7.764 1.00 41.30 C ATOM 62 O ARG A 5 -2.512 -6.562 -7.239 1.00 53.40 O ATOM 63 CB ARG A 5 -2.300 -4.899 -9.630 1.00 14.13 C ATOM 64 CG ARG A 5 -2.602 -5.968 -10.667 1.00 33.43 C ATOM 65 CD ARG A 5 -3.507 -5.437 -11.768 1.00 24.01 C ATOM 66 NE ARG A 5 -4.912 -5.440 -11.371 1.00 10.31 N ATOM 67 CZ ARG A 5 -5.889 -4.942 -12.121 1.00 45.41 C ATOM 68 NH1 ARG A 5 -5.614 -4.404 -13.302 1.00 23.24 N ATOM 69 NH2 ARG A 5 -7.143 -4.981 -11.691 1.00 52.10 N ATOM 0 H ARG A 5 -2.267 -3.763 -7.094 1.00 1.33 H new ATOM 0 HA ARG A 5 -4.341 -4.563 -9.049 1.00 13.05 H new ATOM 0 HB2 ARG A 5 -2.171 -3.941 -10.135 1.00 14.13 H new ATOM 0 HB3 ARG A 5 -1.353 -5.133 -9.144 1.00 14.13 H new ATOM 0 HG2 ARG A 5 -1.670 -6.327 -11.103 1.00 33.43 H new ATOM 0 HG3 ARG A 5 -3.078 -6.821 -10.184 1.00 33.43 H new ATOM 0 HD2 ARG A 5 -3.206 -4.422 -12.027 1.00 24.01 H new ATOM 0 HD3 ARG A 5 -3.382 -6.045 -12.664 1.00 24.01 H new ATOM 0 HE ARG A 5 -5.157 -5.847 -10.468 1.00 10.31 H new ATOM 0 HH11 ARG A 5 -4.651 -4.372 -13.636 1.00 23.24 H new ATOM 0 HH12 ARG A 5 -6.366 -4.022 -13.876 1.00 23.24 H new ATOM 0 HH21 ARG A 5 -7.358 -5.394 -10.783 1.00 52.10 H new ATOM 0 HH22 ARG A 5 -7.892 -4.598 -12.268 1.00 52.10 H new ATOM 83 N TYR A 6 -4.719 -6.580 -7.677 1.00 62.43 N ATOM 84 CA TYR A 6 -4.966 -7.815 -6.942 1.00 5.35 C ATOM 85 C TYR A 6 -5.349 -8.947 -7.890 1.00 10.23 C ATOM 86 O TYR A 6 -5.568 -8.728 -9.082 1.00 10.03 O ATOM 87 CB TYR A 6 -6.072 -7.604 -5.907 1.00 54.00 C ATOM 88 CG TYR A 6 -7.340 -7.020 -6.487 1.00 54.45 C ATOM 89 CD1 TYR A 6 -7.603 -5.658 -6.402 1.00 52.24 C ATOM 90 CD2 TYR A 6 -8.276 -7.829 -7.120 1.00 21.01 C ATOM 91 CE1 TYR A 6 -8.761 -5.119 -6.931 1.00 23.44 C ATOM 92 CE2 TYR A 6 -9.435 -7.299 -7.652 1.00 72.12 C ATOM 93 CZ TYR A 6 -9.673 -5.944 -7.555 1.00 32.01 C ATOM 94 OH TYR A 6 -10.828 -5.413 -8.083 1.00 4.54 O ATOM 0 H TYR A 6 -5.549 -6.171 -8.106 1.00 62.43 H new ATOM 0 HA TYR A 6 -4.045 -8.093 -6.429 1.00 5.35 H new ATOM 0 HB2 TYR A 6 -6.304 -8.559 -5.436 1.00 54.00 H new ATOM 0 HB3 TYR A 6 -5.703 -6.943 -5.123 1.00 54.00 H new ATOM 0 HD1 TYR A 6 -6.890 -5.009 -5.914 1.00 52.24 H new ATOM 0 HD2 TYR A 6 -8.094 -8.891 -7.197 1.00 21.01 H new ATOM 0 HE1 TYR A 6 -8.950 -4.058 -6.856 1.00 23.44 H new ATOM 0 HE2 TYR A 6 -10.151 -7.942 -8.141 1.00 72.12 H new ATOM 0 HH TYR A 6 -11.362 -6.128 -8.488 1.00 4.54 H new ATOM 104 N THR A 7 -5.429 -10.160 -7.351 1.00 52.41 N ATOM 105 CA THR A 7 -5.786 -11.327 -8.147 1.00 25.30 C ATOM 106 C THR A 7 -6.831 -12.179 -7.436 1.00 22.20 C ATOM 107 O THR A 7 -6.929 -13.384 -7.672 1.00 1.33 O ATOM 108 CB THR A 7 -4.551 -12.197 -8.452 1.00 35.44 C ATOM 109 OG1 THR A 7 -4.915 -13.276 -9.321 1.00 42.41 O ATOM 110 CG2 THR A 7 -3.952 -12.754 -7.169 1.00 44.40 C ATOM 0 H THR A 7 -5.251 -10.359 -6.367 1.00 52.41 H new ATOM 0 HA THR A 7 -6.201 -10.956 -9.084 1.00 25.30 H new ATOM 0 HB THR A 7 -3.805 -11.571 -8.942 1.00 35.44 H new ATOM 0 HG1 THR A 7 -5.774 -13.651 -9.034 1.00 42.41 H new ATOM 0 HG21 THR A 7 -3.082 -13.365 -7.409 1.00 44.40 H new ATOM 0 HG22 THR A 7 -3.650 -11.931 -6.521 1.00 44.40 H new ATOM 0 HG23 THR A 7 -4.694 -13.366 -6.657 1.00 44.40 H new ATOM 118 N TYR A 8 -7.610 -11.547 -6.566 1.00 12.21 N ATOM 119 CA TYR A 8 -8.648 -12.248 -5.819 1.00 42.20 C ATOM 120 C TYR A 8 -9.482 -11.270 -4.997 1.00 23.24 C ATOM 121 O TYR A 8 -9.371 -10.055 -5.157 1.00 54.45 O ATOM 122 CB TYR A 8 -8.023 -13.300 -4.901 1.00 45.33 C ATOM 123 CG TYR A 8 -7.190 -12.711 -3.784 1.00 75.24 C ATOM 124 CD1 TYR A 8 -7.616 -12.782 -2.463 1.00 63.44 C ATOM 125 CD2 TYR A 8 -5.980 -12.083 -4.050 1.00 20.12 C ATOM 126 CE1 TYR A 8 -6.859 -12.246 -1.440 1.00 12.44 C ATOM 127 CE2 TYR A 8 -5.216 -11.545 -3.032 1.00 53.23 C ATOM 128 CZ TYR A 8 -5.660 -11.628 -1.729 1.00 72.30 C ATOM 129 OH TYR A 8 -4.903 -11.092 -0.713 1.00 31.12 O ATOM 0 H TYR A 8 -7.543 -10.550 -6.360 1.00 12.21 H new ATOM 0 HA TYR A 8 -9.303 -12.744 -6.535 1.00 42.20 H new ATOM 0 HB2 TYR A 8 -8.816 -13.910 -4.469 1.00 45.33 H new ATOM 0 HB3 TYR A 8 -7.398 -13.965 -5.497 1.00 45.33 H new ATOM 0 HD1 TYR A 8 -8.555 -13.264 -2.233 1.00 63.44 H new ATOM 0 HD2 TYR A 8 -5.630 -12.014 -5.070 1.00 20.12 H new ATOM 0 HE1 TYR A 8 -7.204 -12.310 -0.419 1.00 12.44 H new ATOM 0 HE2 TYR A 8 -4.276 -11.062 -3.256 1.00 53.23 H new ATOM 0 HH TYR A 8 -4.088 -10.695 -1.086 1.00 31.12 H new ATOM 139 N ARG A 9 -10.316 -11.811 -4.114 1.00 42.23 N ATOM 140 CA ARG A 9 -11.170 -10.988 -3.266 1.00 45.32 C ATOM 141 C ARG A 9 -10.709 -11.045 -1.813 1.00 10.14 C ATOM 142 O ARG A 9 -11.226 -11.814 -1.002 1.00 24.21 O ATOM 143 CB ARG A 9 -12.624 -11.449 -3.370 1.00 14.10 C ATOM 144 CG ARG A 9 -13.331 -10.957 -4.622 1.00 74.14 C ATOM 145 CD ARG A 9 -14.830 -11.205 -4.550 1.00 0.12 C ATOM 146 NE ARG A 9 -15.555 -10.482 -5.591 1.00 14.31 N ATOM 147 CZ ARG A 9 -16.878 -10.504 -5.716 1.00 4.11 C ATOM 148 NH1 ARG A 9 -17.615 -11.209 -4.869 1.00 52.31 N ATOM 149 NH2 ARG A 9 -17.465 -9.820 -6.689 1.00 42.53 N ATOM 0 H ARG A 9 -10.418 -12.815 -3.968 1.00 42.23 H new ATOM 0 HA ARG A 9 -11.098 -9.957 -3.612 1.00 45.32 H new ATOM 0 HB2 ARG A 9 -12.653 -12.538 -3.351 1.00 14.10 H new ATOM 0 HB3 ARG A 9 -13.170 -11.100 -2.494 1.00 14.10 H new ATOM 0 HG2 ARG A 9 -13.143 -9.891 -4.752 1.00 74.14 H new ATOM 0 HG3 ARG A 9 -12.919 -11.462 -5.496 1.00 74.14 H new ATOM 0 HD2 ARG A 9 -15.026 -12.273 -4.647 1.00 0.12 H new ATOM 0 HD3 ARG A 9 -15.201 -10.900 -3.571 1.00 0.12 H new ATOM 0 HE ARG A 9 -15.017 -9.930 -6.259 1.00 14.31 H new ATOM 0 HH11 ARG A 9 -17.167 -11.736 -4.119 1.00 52.31 H new ATOM 0 HH12 ARG A 9 -18.630 -11.224 -4.967 1.00 52.31 H new ATOM 0 HH21 ARG A 9 -16.901 -9.276 -7.342 1.00 42.53 H new ATOM 0 HH22 ARG A 9 -18.480 -9.838 -6.784 1.00 42.53 H new ATOM 163 N PRO A 10 -9.713 -10.212 -1.474 1.00 35.42 N ATOM 164 CA PRO A 10 -9.161 -10.149 -0.117 1.00 74.22 C ATOM 165 C PRO A 10 -10.141 -9.540 0.880 1.00 75.43 C ATOM 166 O PRO A 10 -10.621 -8.423 0.690 1.00 41.33 O ATOM 167 CB PRO A 10 -7.932 -9.251 -0.276 1.00 15.51 C ATOM 168 CG PRO A 10 -8.231 -8.407 -1.467 1.00 60.53 C ATOM 169 CD PRO A 10 -9.051 -9.268 -2.389 1.00 25.03 C ATOM 0 HA PRO A 10 -8.934 -11.140 0.277 1.00 74.22 H new ATOM 0 HB2 PRO A 10 -7.771 -8.640 0.612 1.00 15.51 H new ATOM 0 HB3 PRO A 10 -7.028 -9.841 -0.426 1.00 15.51 H new ATOM 0 HG2 PRO A 10 -8.779 -7.509 -1.181 1.00 60.53 H new ATOM 0 HG3 PRO A 10 -7.312 -8.079 -1.953 1.00 60.53 H new ATOM 0 HD2 PRO A 10 -9.775 -8.679 -2.951 1.00 25.03 H new ATOM 0 HD3 PRO A 10 -8.426 -9.785 -3.117 1.00 25.03 H new ATOM 177 N SER A 11 -10.435 -10.282 1.943 1.00 63.42 N ATOM 178 CA SER A 11 -11.361 -9.816 2.968 1.00 24.44 C ATOM 179 C SER A 11 -10.947 -8.444 3.490 1.00 11.35 C ATOM 180 O SER A 11 -11.775 -7.542 3.624 1.00 21.44 O ATOM 181 CB SER A 11 -11.421 -10.817 4.124 1.00 24.20 C ATOM 182 OG SER A 11 -11.251 -12.145 3.658 1.00 2.33 O ATOM 0 H SER A 11 -10.045 -11.208 2.117 1.00 63.42 H new ATOM 0 HA SER A 11 -12.350 -9.731 2.518 1.00 24.44 H new ATOM 0 HB2 SER A 11 -10.646 -10.582 4.853 1.00 24.20 H new ATOM 0 HB3 SER A 11 -12.379 -10.728 4.637 1.00 24.20 H new ATOM 0 HG SER A 11 -11.292 -12.765 4.416 1.00 2.33 H new ATOM 188 N VAL A 12 -9.659 -8.292 3.784 1.00 75.50 N ATOM 189 CA VAL A 12 -9.134 -7.030 4.290 1.00 20.34 C ATOM 190 C VAL A 12 -7.668 -6.853 3.910 1.00 32.24 C ATOM 191 O VAL A 12 -6.937 -7.819 3.693 1.00 65.21 O ATOM 192 CB VAL A 12 -9.270 -6.940 5.822 1.00 55.40 C ATOM 193 CG1 VAL A 12 -10.719 -6.696 6.216 1.00 74.24 C ATOM 194 CG2 VAL A 12 -8.736 -8.203 6.480 1.00 44.33 C ATOM 0 H VAL A 12 -8.960 -9.028 3.680 1.00 75.50 H new ATOM 0 HA VAL A 12 -9.724 -6.235 3.833 1.00 20.34 H new ATOM 0 HB VAL A 12 -8.676 -6.096 6.173 1.00 55.40 H new ATOM 0 HG11 VAL A 12 -10.796 -6.635 7.302 1.00 74.24 H new ATOM 0 HG12 VAL A 12 -11.063 -5.761 5.775 1.00 74.24 H new ATOM 0 HG13 VAL A 12 -11.338 -7.517 5.854 1.00 74.24 H new ATOM 0 HG21 VAL A 12 -8.840 -8.122 7.562 1.00 44.33 H new ATOM 0 HG22 VAL A 12 -9.301 -9.065 6.125 1.00 44.33 H new ATOM 0 HG23 VAL A 12 -7.684 -8.329 6.225 1.00 44.33 H new ATOM 204 N PRO A 13 -7.227 -5.589 3.828 1.00 22.34 N ATOM 205 CA PRO A 13 -5.844 -5.255 3.475 1.00 22.25 C ATOM 206 C PRO A 13 -4.858 -5.632 4.576 1.00 45.22 C ATOM 207 O PRO A 13 -5.017 -5.232 5.729 1.00 41.14 O ATOM 208 CB PRO A 13 -5.882 -3.736 3.289 1.00 74.41 C ATOM 209 CG PRO A 13 -7.028 -3.281 4.125 1.00 74.02 C ATOM 210 CD PRO A 13 -8.044 -4.389 4.074 1.00 23.15 C ATOM 0 HA PRO A 13 -5.506 -5.798 2.592 1.00 22.25 H new ATOM 0 HB2 PRO A 13 -4.949 -3.274 3.611 1.00 74.41 H new ATOM 0 HB3 PRO A 13 -6.025 -3.469 2.242 1.00 74.41 H new ATOM 0 HG2 PRO A 13 -6.711 -3.089 5.150 1.00 74.02 H new ATOM 0 HG3 PRO A 13 -7.446 -2.350 3.741 1.00 74.02 H new ATOM 0 HD2 PRO A 13 -8.601 -4.467 5.008 1.00 23.15 H new ATOM 0 HD3 PRO A 13 -8.773 -4.229 3.280 1.00 23.15 H new ATOM 218 N ALA A 14 -3.838 -6.403 4.212 1.00 72.11 N ATOM 219 CA ALA A 14 -2.825 -6.831 5.168 1.00 22.30 C ATOM 220 C ALA A 14 -2.233 -5.639 5.911 1.00 3.34 C ATOM 221 O ALA A 14 -2.113 -5.655 7.137 1.00 62.51 O ATOM 222 CB ALA A 14 -1.728 -7.612 4.460 1.00 64.10 C ATOM 0 H ALA A 14 -3.692 -6.744 3.262 1.00 72.11 H new ATOM 0 HA ALA A 14 -3.304 -7.481 5.901 1.00 22.30 H new ATOM 0 HB1 ALA A 14 -0.978 -7.926 5.186 1.00 64.10 H new ATOM 0 HB2 ALA A 14 -2.159 -8.491 3.981 1.00 64.10 H new ATOM 0 HB3 ALA A 14 -1.260 -6.980 3.705 1.00 64.10 H new ATOM 228 N HIS A 15 -1.863 -4.605 5.163 1.00 40.45 N ATOM 229 CA HIS A 15 -1.283 -3.403 5.751 1.00 3.14 C ATOM 230 C HIS A 15 -1.078 -2.323 4.693 1.00 72.53 C ATOM 231 O HIS A 15 -0.522 -2.584 3.626 1.00 61.31 O ATOM 232 CB HIS A 15 0.050 -3.732 6.425 1.00 11.00 C ATOM 233 CG HIS A 15 1.085 -4.258 5.479 1.00 5.43 C ATOM 234 ND1 HIS A 15 1.288 -5.603 5.257 1.00 20.31 N ATOM 235 CD2 HIS A 15 1.978 -3.610 4.695 1.00 41.34 C ATOM 236 CE1 HIS A 15 2.262 -5.761 4.378 1.00 14.51 C ATOM 237 NE2 HIS A 15 2.697 -4.566 4.021 1.00 41.14 N ATOM 0 H HIS A 15 -1.955 -4.575 4.148 1.00 40.45 H new ATOM 0 HA HIS A 15 -1.978 -3.024 6.501 1.00 3.14 H new ATOM 0 HB2 HIS A 15 0.435 -2.834 6.909 1.00 11.00 H new ATOM 0 HB3 HIS A 15 -0.121 -4.469 7.210 1.00 11.00 H new ATOM 0 HD1 HIS A 15 0.767 -6.359 5.702 1.00 20.31 H new ATOM 0 HD2 HIS A 15 2.102 -2.540 4.615 1.00 41.34 H new ATOM 0 HE1 HIS A 15 2.638 -6.706 4.014 1.00 14.51 H new ATOM 245 N ARG A 16 -1.532 -1.112 4.995 1.00 51.50 N ATOM 246 CA ARG A 16 -1.401 0.007 4.069 1.00 64.54 C ATOM 247 C ARG A 16 -0.533 1.110 4.667 1.00 30.35 C ATOM 248 O ARG A 16 -0.828 2.295 4.518 1.00 54.41 O ATOM 249 CB ARG A 16 -2.779 0.565 3.711 1.00 72.12 C ATOM 250 CG ARG A 16 -3.649 0.862 4.921 1.00 2.54 C ATOM 251 CD ARG A 16 -4.785 1.810 4.572 1.00 52.55 C ATOM 252 NE ARG A 16 -4.300 3.148 4.240 1.00 32.44 N ATOM 253 CZ ARG A 16 -5.031 4.058 3.606 1.00 5.24 C ATOM 254 NH1 ARG A 16 -6.273 3.777 3.237 1.00 24.14 N ATOM 255 NH2 ARG A 16 -4.519 5.253 3.341 1.00 42.33 N ATOM 0 H ARG A 16 -1.994 -0.880 5.874 1.00 51.50 H new ATOM 0 HA ARG A 16 -0.919 -0.359 3.163 1.00 64.54 H new ATOM 0 HB2 ARG A 16 -2.652 1.480 3.132 1.00 72.12 H new ATOM 0 HB3 ARG A 16 -3.295 -0.149 3.069 1.00 72.12 H new ATOM 0 HG2 ARG A 16 -4.058 -0.069 5.313 1.00 2.54 H new ATOM 0 HG3 ARG A 16 -3.038 1.300 5.711 1.00 2.54 H new ATOM 0 HD2 ARG A 16 -5.346 1.408 3.728 1.00 52.55 H new ATOM 0 HD3 ARG A 16 -5.476 1.873 5.413 1.00 52.55 H new ATOM 0 HE ARG A 16 -3.348 3.397 4.510 1.00 32.44 H new ATOM 0 HH11 ARG A 16 -6.670 2.860 3.440 1.00 24.14 H new ATOM 0 HH12 ARG A 16 -6.831 4.478 2.750 1.00 24.14 H new ATOM 0 HH21 ARG A 16 -3.564 5.473 3.624 1.00 42.33 H new ATOM 0 HH22 ARG A 16 -5.080 5.952 2.854 1.00 42.33 H new ATOM 269 N ARG A 17 0.538 0.710 5.346 1.00 13.51 N ATOM 270 CA ARG A 17 1.447 1.665 5.969 1.00 70.20 C ATOM 271 C ARG A 17 2.874 1.124 5.987 1.00 52.34 C ATOM 272 O ARG A 17 3.118 -0.026 5.622 1.00 52.01 O ATOM 273 CB ARG A 17 0.992 1.979 7.395 1.00 13.22 C ATOM 274 CG ARG A 17 0.034 3.157 7.483 1.00 24.43 C ATOM 275 CD ARG A 17 0.753 4.477 7.253 1.00 12.04 C ATOM 276 NE ARG A 17 0.069 5.592 7.903 1.00 41.33 N ATOM 277 CZ ARG A 17 0.507 6.846 7.864 1.00 60.24 C ATOM 278 NH1 ARG A 17 1.621 7.142 7.209 1.00 5.13 N ATOM 279 NH2 ARG A 17 -0.171 7.806 8.479 1.00 3.14 N ATOM 0 H ARG A 17 0.797 -0.268 5.478 1.00 13.51 H new ATOM 0 HA ARG A 17 1.431 2.582 5.380 1.00 70.20 H new ATOM 0 HB2 ARG A 17 0.510 1.097 7.816 1.00 13.22 H new ATOM 0 HB3 ARG A 17 1.868 2.187 8.009 1.00 13.22 H new ATOM 0 HG2 ARG A 17 -0.758 3.039 6.744 1.00 24.43 H new ATOM 0 HG3 ARG A 17 -0.443 3.167 8.463 1.00 24.43 H new ATOM 0 HD2 ARG A 17 1.772 4.406 7.633 1.00 12.04 H new ATOM 0 HD3 ARG A 17 0.824 4.670 6.183 1.00 12.04 H new ATOM 0 HE ARG A 17 -0.792 5.397 8.415 1.00 41.33 H new ATOM 0 HH11 ARG A 17 2.144 6.406 6.734 1.00 5.13 H new ATOM 0 HH12 ARG A 17 1.955 8.105 7.180 1.00 5.13 H new ATOM 0 HH21 ARG A 17 -1.029 7.582 8.982 1.00 3.14 H new ATOM 0 HH22 ARG A 17 0.166 8.768 8.449 1.00 3.14 H new ATOM 293 N VAL A 18 3.814 1.962 6.413 1.00 55.42 N ATOM 294 CA VAL A 18 5.216 1.569 6.479 1.00 51.24 C ATOM 295 C VAL A 18 5.492 0.724 7.717 1.00 1.21 C ATOM 296 O VAL A 18 6.334 -0.174 7.693 1.00 1.33 O ATOM 297 CB VAL A 18 6.144 2.799 6.492 1.00 34.31 C ATOM 298 CG1 VAL A 18 5.876 3.656 7.719 1.00 13.53 C ATOM 299 CG2 VAL A 18 7.601 2.366 6.441 1.00 2.44 C ATOM 0 H VAL A 18 3.629 2.918 6.718 1.00 55.42 H new ATOM 0 HA VAL A 18 5.422 0.978 5.586 1.00 51.24 H new ATOM 0 HB VAL A 18 5.936 3.400 5.607 1.00 34.31 H new ATOM 0 HG11 VAL A 18 6.540 4.520 7.711 1.00 13.53 H new ATOM 0 HG12 VAL A 18 4.840 3.995 7.707 1.00 13.53 H new ATOM 0 HG13 VAL A 18 6.055 3.068 8.619 1.00 13.53 H new ATOM 0 HG21 VAL A 18 8.243 3.247 6.451 1.00 2.44 H new ATOM 0 HG22 VAL A 18 7.826 1.743 7.307 1.00 2.44 H new ATOM 0 HG23 VAL A 18 7.780 1.797 5.529 1.00 2.44 H new ATOM 309 N ARG A 19 4.777 1.017 8.798 1.00 1.53 N ATOM 310 CA ARG A 19 4.946 0.285 10.048 1.00 54.05 C ATOM 311 C ARG A 19 3.592 -0.078 10.652 1.00 62.03 C ATOM 312 O ARG A 19 3.090 0.617 11.534 1.00 54.01 O ATOM 313 CB ARG A 19 5.755 1.115 11.045 1.00 1.42 C ATOM 314 CG ARG A 19 7.237 1.188 10.716 1.00 23.31 C ATOM 315 CD ARG A 19 8.072 1.443 11.961 1.00 45.30 C ATOM 316 NE ARG A 19 7.683 2.677 12.638 1.00 55.32 N ATOM 317 CZ ARG A 19 8.412 3.259 13.583 1.00 2.02 C ATOM 318 NH1 ARG A 19 9.564 2.722 13.961 1.00 31.21 N ATOM 319 NH2 ARG A 19 7.990 4.381 14.152 1.00 23.03 N ATOM 0 H ARG A 19 4.075 1.756 8.834 1.00 1.53 H new ATOM 0 HA ARG A 19 5.487 -0.636 9.830 1.00 54.05 H new ATOM 0 HB2 ARG A 19 5.349 2.126 11.077 1.00 1.42 H new ATOM 0 HB3 ARG A 19 5.633 0.690 12.041 1.00 1.42 H new ATOM 0 HG2 ARG A 19 7.554 0.255 10.249 1.00 23.31 H new ATOM 0 HG3 ARG A 19 7.411 1.983 9.991 1.00 23.31 H new ATOM 0 HD2 ARG A 19 7.964 0.603 12.648 1.00 45.30 H new ATOM 0 HD3 ARG A 19 9.125 1.497 11.686 1.00 45.30 H new ATOM 0 HE ARG A 19 6.802 3.116 12.370 1.00 55.32 H new ATOM 0 HH11 ARG A 19 9.892 1.860 13.526 1.00 31.21 H new ATOM 0 HH12 ARG A 19 10.122 3.171 14.687 1.00 31.21 H new ATOM 0 HH21 ARG A 19 7.105 4.797 13.864 1.00 23.03 H new ATOM 0 HH22 ARG A 19 8.551 4.827 14.878 1.00 23.03 H new ATOM 333 N GLU A 20 3.008 -1.171 10.169 1.00 4.33 N ATOM 334 CA GLU A 20 1.713 -1.624 10.661 1.00 31.34 C ATOM 335 C GLU A 20 1.647 -3.149 10.694 1.00 13.51 C ATOM 336 O GLU A 20 2.301 -3.826 9.902 1.00 63.11 O ATOM 337 CB GLU A 20 0.587 -1.073 9.784 1.00 45.33 C ATOM 338 CG GLU A 20 -0.738 -0.929 10.512 1.00 31.44 C ATOM 339 CD GLU A 20 -0.729 0.200 11.524 1.00 4.10 C ATOM 340 OE1 GLU A 20 -1.276 1.279 11.213 1.00 33.42 O ATOM 341 OE2 GLU A 20 -0.174 0.006 12.626 1.00 43.04 O ATOM 0 H GLU A 20 3.411 -1.758 9.439 1.00 4.33 H new ATOM 0 HA GLU A 20 1.588 -1.249 11.677 1.00 31.34 H new ATOM 0 HB2 GLU A 20 0.885 -0.100 9.394 1.00 45.33 H new ATOM 0 HB3 GLU A 20 0.451 -1.732 8.926 1.00 45.33 H new ATOM 0 HG2 GLU A 20 -1.530 -0.753 9.785 1.00 31.44 H new ATOM 0 HG3 GLU A 20 -0.973 -1.865 11.019 1.00 31.44 H new ATOM 348 N SER A 21 0.852 -3.681 11.617 1.00 54.22 N ATOM 349 CA SER A 21 0.703 -5.125 11.757 1.00 55.44 C ATOM 350 C SER A 21 -0.632 -5.472 12.409 1.00 20.23 C ATOM 351 O SER A 21 -0.696 -5.901 13.562 1.00 44.13 O ATOM 352 CB SER A 21 1.853 -5.700 12.585 1.00 43.43 C ATOM 353 OG SER A 21 1.884 -5.128 13.881 1.00 31.11 O ATOM 0 H SER A 21 0.301 -3.134 12.279 1.00 54.22 H new ATOM 0 HA SER A 21 0.727 -5.566 10.761 1.00 55.44 H new ATOM 0 HB2 SER A 21 1.743 -6.782 12.664 1.00 43.43 H new ATOM 0 HB3 SER A 21 2.800 -5.512 12.078 1.00 43.43 H new ATOM 0 HG SER A 21 1.027 -5.286 14.329 1.00 31.11 H new ATOM 359 N PRO A 22 -1.725 -5.283 11.656 1.00 73.34 N ATOM 360 CA PRO A 22 -3.079 -5.571 12.139 1.00 51.33 C ATOM 361 C PRO A 22 -3.331 -7.066 12.303 1.00 41.40 C ATOM 362 O PRO A 22 -4.127 -7.656 11.571 1.00 10.44 O ATOM 363 CB PRO A 22 -3.977 -4.995 11.041 1.00 11.41 C ATOM 364 CG PRO A 22 -3.135 -5.016 9.812 1.00 2.05 C ATOM 365 CD PRO A 22 -1.724 -4.775 10.273 1.00 21.25 C ATOM 0 HA PRO A 22 -3.259 -5.143 13.125 1.00 51.33 H new ATOM 0 HB2 PRO A 22 -4.879 -5.593 10.913 1.00 11.41 H new ATOM 0 HB3 PRO A 22 -4.298 -3.982 11.283 1.00 11.41 H new ATOM 0 HG2 PRO A 22 -3.219 -5.973 9.297 1.00 2.05 H new ATOM 0 HG3 PRO A 22 -3.452 -4.247 9.108 1.00 2.05 H new ATOM 0 HD2 PRO A 22 -1.002 -5.304 9.651 1.00 21.25 H new ATOM 0 HD3 PRO A 22 -1.464 -3.717 10.234 1.00 21.25 H new ATOM 373 N LEU A 23 -2.649 -7.673 13.267 1.00 25.23 N ATOM 374 CA LEU A 23 -2.799 -9.101 13.528 1.00 2.43 C ATOM 375 C LEU A 23 -3.645 -9.340 14.774 1.00 32.23 C ATOM 376 O LEU A 23 -4.725 -9.927 14.700 1.00 24.33 O ATOM 377 CB LEU A 23 -1.427 -9.756 13.696 1.00 3.41 C ATOM 378 CG LEU A 23 -0.675 -10.080 12.405 1.00 50.44 C ATOM 379 CD1 LEU A 23 -1.501 -11.004 11.524 1.00 53.45 C ATOM 380 CD2 LEU A 23 -0.323 -8.801 11.658 1.00 62.55 C ATOM 0 H LEU A 23 -1.987 -7.199 13.881 1.00 25.23 H new ATOM 0 HA LEU A 23 -3.307 -9.550 12.674 1.00 2.43 H new ATOM 0 HB2 LEU A 23 -0.804 -9.097 14.300 1.00 3.41 H new ATOM 0 HB3 LEU A 23 -1.554 -10.680 14.260 1.00 3.41 H new ATOM 0 HG LEU A 23 0.251 -10.592 12.665 1.00 50.44 H new ATOM 0 HD11 LEU A 23 -0.950 -11.224 10.610 1.00 53.45 H new ATOM 0 HD12 LEU A 23 -1.702 -11.932 12.058 1.00 53.45 H new ATOM 0 HD13 LEU A 23 -2.444 -10.519 11.272 1.00 53.45 H new ATOM 0 HD21 LEU A 23 0.212 -9.050 10.742 1.00 62.55 H new ATOM 0 HD22 LEU A 23 -1.237 -8.262 11.409 1.00 62.55 H new ATOM 0 HD23 LEU A 23 0.308 -8.174 12.288 1.00 62.55 H new ATOM 392 N SER A 24 -3.149 -8.880 15.918 1.00 2.12 N ATOM 393 CA SER A 24 -3.859 -9.046 17.181 1.00 4.52 C ATOM 394 C SER A 24 -5.027 -8.070 17.279 1.00 13.35 C ATOM 395 O SER A 24 -6.012 -8.331 17.970 1.00 73.20 O ATOM 396 CB SER A 24 -2.904 -8.836 18.358 1.00 31.03 C ATOM 397 OG SER A 24 -1.893 -9.828 18.378 1.00 64.35 O ATOM 0 H SER A 24 -2.258 -8.389 15.996 1.00 2.12 H new ATOM 0 HA SER A 24 -4.253 -10.062 17.218 1.00 4.52 H new ATOM 0 HB2 SER A 24 -2.448 -7.849 18.288 1.00 31.03 H new ATOM 0 HB3 SER A 24 -3.463 -8.863 19.293 1.00 31.03 H new ATOM 0 HG SER A 24 -1.295 -9.670 19.138 1.00 64.35 H new ATOM 403 N SER A 25 -4.910 -6.943 16.583 1.00 22.54 N ATOM 404 CA SER A 25 -5.954 -5.926 16.594 1.00 0.44 C ATOM 405 C SER A 25 -7.234 -6.453 15.954 1.00 60.55 C ATOM 406 O SER A 25 -8.332 -6.241 16.468 1.00 51.01 O ATOM 407 CB SER A 25 -5.481 -4.671 15.857 1.00 23.42 C ATOM 408 OG SER A 25 -6.284 -3.552 16.187 1.00 13.15 O ATOM 0 H SER A 25 -4.102 -6.712 16.005 1.00 22.54 H new ATOM 0 HA SER A 25 -6.167 -5.671 17.632 1.00 0.44 H new ATOM 0 HB2 SER A 25 -4.442 -4.465 16.114 1.00 23.42 H new ATOM 0 HB3 SER A 25 -5.516 -4.843 14.781 1.00 23.42 H new ATOM 0 HG SER A 25 -5.960 -2.763 15.704 1.00 13.15 H new ATOM 414 N ASP A 26 -7.084 -7.142 14.828 1.00 64.33 N ATOM 415 CA ASP A 26 -8.226 -7.702 14.116 1.00 74.34 C ATOM 416 C ASP A 26 -8.838 -8.861 14.896 1.00 32.51 C ATOM 417 O ASP A 26 -10.033 -9.134 14.787 1.00 72.24 O ATOM 418 CB ASP A 26 -7.805 -8.175 12.723 1.00 12.32 C ATOM 419 CG ASP A 26 -7.919 -7.079 11.681 1.00 20.42 C ATOM 420 OD1 ASP A 26 -7.236 -6.044 11.831 1.00 33.21 O ATOM 421 OD2 ASP A 26 -8.690 -7.258 10.715 1.00 0.44 O ATOM 0 H ASP A 26 -6.182 -7.326 14.389 1.00 64.33 H new ATOM 0 HA ASP A 26 -8.977 -6.919 14.014 1.00 74.34 H new ATOM 0 HB2 ASP A 26 -6.776 -8.532 12.759 1.00 12.32 H new ATOM 0 HB3 ASP A 26 -8.426 -9.020 12.426 1.00 12.32 H new ATOM 426 N ALA A 27 -8.010 -9.541 15.683 1.00 52.31 N ATOM 427 CA ALA A 27 -8.470 -10.670 16.482 1.00 2.32 C ATOM 428 C ALA A 27 -9.603 -10.257 17.415 1.00 54.32 C ATOM 429 O ALA A 27 -10.453 -11.073 17.773 1.00 52.30 O ATOM 430 CB ALA A 27 -7.315 -11.257 17.280 1.00 43.50 C ATOM 0 H ALA A 27 -7.017 -9.329 15.784 1.00 52.31 H new ATOM 0 HA ALA A 27 -8.853 -11.432 15.803 1.00 2.32 H new ATOM 0 HB1 ALA A 27 -7.673 -12.099 17.872 1.00 43.50 H new ATOM 0 HB2 ALA A 27 -6.537 -11.598 16.597 1.00 43.50 H new ATOM 0 HB3 ALA A 27 -6.907 -10.495 17.943 1.00 43.50 H new ATOM 436 N ILE A 28 -9.609 -8.987 17.805 1.00 55.42 N ATOM 437 CA ILE A 28 -10.639 -8.466 18.696 1.00 73.45 C ATOM 438 C ILE A 28 -12.034 -8.785 18.168 1.00 13.41 C ATOM 439 O ILE A 28 -12.936 -9.128 18.933 1.00 25.42 O ATOM 440 CB ILE A 28 -10.507 -6.943 18.880 1.00 75.04 C ATOM 441 CG1 ILE A 28 -9.127 -6.593 19.439 1.00 12.52 C ATOM 442 CG2 ILE A 28 -11.604 -6.423 19.797 1.00 75.43 C ATOM 443 CD1 ILE A 28 -8.772 -5.129 19.299 1.00 52.12 C ATOM 0 H ILE A 28 -8.912 -8.299 17.518 1.00 55.42 H new ATOM 0 HA ILE A 28 -10.498 -8.953 19.661 1.00 73.45 H new ATOM 0 HB ILE A 28 -10.616 -6.463 17.907 1.00 75.04 H new ATOM 0 HG12 ILE A 28 -9.090 -6.868 20.493 1.00 12.52 H new ATOM 0 HG13 ILE A 28 -8.374 -7.192 18.927 1.00 12.52 H new ATOM 0 HG21 ILE A 28 -11.497 -5.345 19.917 1.00 75.43 H new ATOM 0 HG22 ILE A 28 -12.578 -6.645 19.361 1.00 75.43 H new ATOM 0 HG23 ILE A 28 -11.524 -6.906 20.771 1.00 75.43 H new ATOM 0 HD11 ILE A 28 -7.780 -4.954 19.716 1.00 52.12 H new ATOM 0 HD12 ILE A 28 -8.776 -4.853 18.245 1.00 52.12 H new ATOM 0 HD13 ILE A 28 -9.504 -4.524 19.835 1.00 52.12 H new ATOM 455 N PHE A 29 -12.205 -8.669 16.855 1.00 30.43 N ATOM 456 CA PHE A 29 -13.490 -8.946 16.224 1.00 13.43 C ATOM 457 C PHE A 29 -13.560 -10.391 15.742 1.00 64.55 C ATOM 458 O PHE A 29 -14.640 -10.971 15.633 1.00 74.02 O ATOM 459 CB PHE A 29 -13.721 -7.992 15.050 1.00 34.30 C ATOM 460 CG PHE A 29 -15.173 -7.782 14.725 1.00 23.21 C ATOM 461 CD1 PHE A 29 -15.856 -6.684 15.222 1.00 44.10 C ATOM 462 CD2 PHE A 29 -15.854 -8.683 13.923 1.00 31.50 C ATOM 463 CE1 PHE A 29 -17.191 -6.487 14.925 1.00 70.34 C ATOM 464 CE2 PHE A 29 -17.189 -8.492 13.622 1.00 53.11 C ATOM 465 CZ PHE A 29 -17.859 -7.393 14.124 1.00 21.22 C ATOM 0 H PHE A 29 -11.470 -8.385 16.208 1.00 30.43 H new ATOM 0 HA PHE A 29 -14.272 -8.793 16.967 1.00 13.43 H new ATOM 0 HB2 PHE A 29 -13.265 -7.029 15.280 1.00 34.30 H new ATOM 0 HB3 PHE A 29 -13.212 -8.383 14.169 1.00 34.30 H new ATOM 0 HD1 PHE A 29 -15.339 -5.973 15.849 1.00 44.10 H new ATOM 0 HD2 PHE A 29 -15.336 -9.544 13.529 1.00 31.50 H new ATOM 0 HE1 PHE A 29 -17.711 -5.626 15.318 1.00 70.34 H new ATOM 0 HE2 PHE A 29 -17.708 -9.201 12.995 1.00 53.11 H new ATOM 0 HZ PHE A 29 -18.903 -7.242 13.891 1.00 21.22 H new ATOM 475 N LYS A 30 -12.398 -10.969 15.452 1.00 13.44 N ATOM 476 CA LYS A 30 -12.324 -12.347 14.982 1.00 53.44 C ATOM 477 C LYS A 30 -13.006 -13.294 15.964 1.00 64.34 C ATOM 478 O LYS A 30 -13.517 -14.343 15.573 1.00 22.54 O ATOM 479 CB LYS A 30 -10.865 -12.762 14.784 1.00 22.25 C ATOM 480 CG LYS A 30 -10.698 -14.016 13.943 1.00 4.22 C ATOM 481 CD LYS A 30 -10.575 -13.683 12.466 1.00 63.54 C ATOM 482 CE LYS A 30 -9.201 -13.122 12.133 1.00 1.31 C ATOM 483 NZ LYS A 30 -9.231 -12.270 10.912 1.00 3.20 N ATOM 0 H LYS A 30 -11.494 -10.503 15.535 1.00 13.44 H new ATOM 0 HA LYS A 30 -12.845 -12.408 14.026 1.00 53.44 H new ATOM 0 HB2 LYS A 30 -10.324 -11.943 14.311 1.00 22.25 H new ATOM 0 HB3 LYS A 30 -10.407 -12.925 15.759 1.00 22.25 H new ATOM 0 HG2 LYS A 30 -9.811 -14.559 14.270 1.00 4.22 H new ATOM 0 HG3 LYS A 30 -11.551 -14.676 14.098 1.00 4.22 H new ATOM 0 HD2 LYS A 30 -10.756 -14.580 11.874 1.00 63.54 H new ATOM 0 HD3 LYS A 30 -11.341 -12.959 12.190 1.00 63.54 H new ATOM 0 HE2 LYS A 30 -8.834 -12.536 12.976 1.00 1.31 H new ATOM 0 HE3 LYS A 30 -8.499 -13.943 11.986 1.00 1.31 H new ATOM 0 HZ1 LYS A 30 -8.276 -11.907 10.719 1.00 3.20 H new ATOM 0 HZ2 LYS A 30 -9.557 -12.835 10.102 1.00 3.20 H new ATOM 0 HZ3 LYS A 30 -9.881 -11.472 11.061 1.00 3.20 H new ATOM 497 N GLN A 31 -13.009 -12.916 17.238 1.00 75.41 N ATOM 498 CA GLN A 31 -13.629 -13.733 18.275 1.00 71.44 C ATOM 499 C GLN A 31 -15.119 -13.915 18.006 1.00 14.03 C ATOM 500 O GLN A 31 -15.695 -14.956 18.322 1.00 24.43 O ATOM 501 CB GLN A 31 -13.420 -13.095 19.649 1.00 33.40 C ATOM 502 CG GLN A 31 -12.124 -13.514 20.324 1.00 61.15 C ATOM 503 CD GLN A 31 -12.111 -14.982 20.702 1.00 64.01 C ATOM 504 OE1 GLN A 31 -13.105 -15.518 21.193 1.00 41.45 O ATOM 505 NE2 GLN A 31 -10.981 -15.642 20.475 1.00 3.11 N ATOM 0 H GLN A 31 -12.590 -12.050 17.577 1.00 75.41 H new ATOM 0 HA GLN A 31 -13.154 -14.714 18.262 1.00 71.44 H new ATOM 0 HB2 GLN A 31 -13.430 -12.010 19.542 1.00 33.40 H new ATOM 0 HB3 GLN A 31 -14.258 -13.359 20.294 1.00 33.40 H new ATOM 0 HG2 GLN A 31 -11.288 -13.307 19.656 1.00 61.15 H new ATOM 0 HG3 GLN A 31 -11.974 -12.911 21.219 1.00 61.15 H new ATOM 0 HE21 GLN A 31 -10.181 -15.158 20.066 1.00 3.11 H new ATOM 0 HE22 GLN A 31 -10.913 -16.632 20.709 1.00 3.11 H new ATOM 514 N SER A 32 -15.739 -12.895 17.422 1.00 52.42 N ATOM 515 CA SER A 32 -17.164 -12.940 17.115 1.00 60.12 C ATOM 516 C SER A 32 -17.409 -13.619 15.771 1.00 44.15 C ATOM 517 O SER A 32 -18.472 -14.193 15.536 1.00 34.44 O ATOM 518 CB SER A 32 -17.749 -11.527 17.099 1.00 13.33 C ATOM 519 OG SER A 32 -19.127 -11.541 17.431 1.00 22.54 O ATOM 0 H SER A 32 -15.277 -12.027 17.152 1.00 52.42 H new ATOM 0 HA SER A 32 -17.659 -13.522 17.892 1.00 60.12 H new ATOM 0 HB2 SER A 32 -17.208 -10.898 17.806 1.00 13.33 H new ATOM 0 HB3 SER A 32 -17.614 -11.085 16.112 1.00 13.33 H new ATOM 0 HG SER A 32 -19.477 -10.626 17.415 1.00 22.54 H new ATOM 525 N HIS A 33 -16.416 -13.548 14.890 1.00 64.34 N ATOM 526 CA HIS A 33 -16.521 -14.156 13.568 1.00 74.11 C ATOM 527 C HIS A 33 -16.630 -15.674 13.675 1.00 30.12 C ATOM 528 O HIS A 33 -15.967 -16.296 14.506 1.00 70.11 O ATOM 529 CB HIS A 33 -15.312 -13.779 12.712 1.00 52.14 C ATOM 530 CG HIS A 33 -15.383 -14.304 11.311 1.00 62.51 C ATOM 531 ND1 HIS A 33 -16.321 -13.879 10.394 1.00 63.11 N ATOM 532 CD2 HIS A 33 -14.624 -15.225 10.671 1.00 1.23 C ATOM 533 CE1 HIS A 33 -16.137 -14.516 9.251 1.00 23.44 C ATOM 534 NE2 HIS A 33 -15.113 -15.339 9.393 1.00 3.51 N ATOM 0 H HIS A 33 -15.530 -13.076 15.068 1.00 64.34 H new ATOM 0 HA HIS A 33 -17.426 -13.777 13.092 1.00 74.11 H new ATOM 0 HB2 HIS A 33 -15.224 -12.693 12.680 1.00 52.14 H new ATOM 0 HB3 HIS A 33 -14.408 -14.158 13.188 1.00 52.14 H new ATOM 0 HD2 HIS A 33 -13.789 -15.769 11.088 1.00 1.23 H new ATOM 0 HE1 HIS A 33 -16.724 -14.386 8.354 1.00 23.44 H new ATOM 0 HE2 HIS A 33 -14.746 -15.958 8.671 1.00 3.51 H new TER 542 HIS A 33