USER MOD reduce.3.24.130724 H: found=0, std=0, add=272, rem=0, adj=9 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= -0.0267 K(o=-0.027,f=-2!) USER MOD Single : A 1 ASN N :NH3+ -150:sc= 0.199 (180deg=0.075) 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= -0.0442 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= -0.346 K(o=-0.35,f=-1.3) USER MOD Single : A 21 SER OG : rot 58:sc= 0.966 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 120:sc= -0.739 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) 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=-0.0036) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 2.516 -5.761 2.594 1.00 51.24 N ATOM 2 CA ASN A 1 2.179 -4.342 2.549 1.00 22.52 C ATOM 3 C ASN A 1 2.308 -3.797 1.130 1.00 2.02 C ATOM 4 O ASN A 1 3.277 -4.086 0.428 1.00 71.52 O ATOM 5 CB ASN A 1 3.085 -3.552 3.496 1.00 71.13 C ATOM 6 CG ASN A 1 4.509 -3.451 2.984 1.00 73.15 C ATOM 7 OD1 ASN A 1 5.169 -4.463 2.747 1.00 35.24 O ATOM 8 ND2 ASN A 1 4.989 -2.225 2.810 1.00 61.35 N ATOM 0 H1 ASN A 1 1.976 -6.222 3.354 1.00 51.24 H new ATOM 0 H2 ASN A 1 2.279 -6.203 1.683 1.00 51.24 H new ATOM 0 H3 ASN A 1 3.534 -5.870 2.778 1.00 51.24 H new ATOM 0 HA ASN A 1 1.143 -4.229 2.869 1.00 22.52 H new ATOM 0 HB2 ASN A 1 2.679 -2.550 3.631 1.00 71.13 H new ATOM 0 HB3 ASN A 1 3.087 -4.030 4.476 1.00 71.13 H new ATOM 0 HD21 ASN A 1 5.941 -2.094 2.467 1.00 61.35 H new ATOM 0 HD22 ASN A 1 4.406 -1.415 3.019 1.00 61.35 H new ATOM 15 N VAL A 2 1.325 -3.005 0.715 1.00 53.02 N ATOM 16 CA VAL A 2 1.328 -2.417 -0.619 1.00 44.04 C ATOM 17 C VAL A 2 1.508 -3.487 -1.691 1.00 5.52 C ATOM 18 O VAL A 2 2.594 -3.643 -2.250 1.00 51.44 O ATOM 19 CB VAL A 2 2.444 -1.366 -0.766 1.00 44.33 C ATOM 20 CG1 VAL A 2 2.388 -0.715 -2.140 1.00 72.01 C ATOM 21 CG2 VAL A 2 2.338 -0.320 0.333 1.00 43.51 C ATOM 0 H VAL A 2 0.516 -2.756 1.284 1.00 53.02 H new ATOM 0 HA VAL A 2 0.361 -1.931 -0.753 1.00 44.04 H new ATOM 0 HB VAL A 2 3.407 -1.868 -0.668 1.00 44.33 H new ATOM 0 HG11 VAL A 2 3.184 0.025 -2.225 1.00 72.01 H new ATOM 0 HG12 VAL A 2 2.517 -1.477 -2.909 1.00 72.01 H new ATOM 0 HG13 VAL A 2 1.423 -0.226 -2.272 1.00 72.01 H new ATOM 0 HG21 VAL A 2 3.134 0.415 0.214 1.00 43.51 H new ATOM 0 HG22 VAL A 2 1.371 0.179 0.268 1.00 43.51 H new ATOM 0 HG23 VAL A 2 2.433 -0.803 1.305 1.00 43.51 H new ATOM 31 N ASP A 3 0.438 -4.220 -1.972 1.00 34.51 N ATOM 32 CA ASP A 3 0.476 -5.275 -2.978 1.00 62.31 C ATOM 33 C ASP A 3 -0.316 -4.873 -4.218 1.00 51.21 C ATOM 34 O ASP A 3 -1.092 -3.917 -4.189 1.00 23.31 O ATOM 35 CB ASP A 3 -0.080 -6.579 -2.403 1.00 52.20 C ATOM 36 CG ASP A 3 0.494 -7.805 -3.086 1.00 2.53 C ATOM 37 OD1 ASP A 3 1.453 -7.652 -3.871 1.00 5.01 O ATOM 38 OD2 ASP A 3 -0.015 -8.916 -2.834 1.00 70.51 O ATOM 0 H ASP A 3 -0.468 -4.104 -1.517 1.00 34.51 H new ATOM 0 HA ASP A 3 1.516 -5.429 -3.267 1.00 62.31 H new ATOM 0 HB2 ASP A 3 0.140 -6.625 -1.336 1.00 52.20 H new ATOM 0 HB3 ASP A 3 -1.165 -6.584 -2.506 1.00 52.20 H new ATOM 43 N VAL A 4 -0.115 -5.608 -5.307 1.00 44.22 N ATOM 44 CA VAL A 4 -0.810 -5.328 -6.558 1.00 1.22 C ATOM 45 C VAL A 4 -1.490 -6.580 -7.101 1.00 3.41 C ATOM 46 O VAL A 4 -1.988 -6.589 -8.227 1.00 1.03 O ATOM 47 CB VAL A 4 0.154 -4.777 -7.625 1.00 4.41 C ATOM 48 CG1 VAL A 4 -0.620 -4.114 -8.754 1.00 33.31 C ATOM 49 CG2 VAL A 4 1.139 -3.801 -6.999 1.00 44.30 C ATOM 0 H VAL A 4 0.524 -6.402 -5.348 1.00 44.22 H new ATOM 0 HA VAL A 4 -1.566 -4.574 -6.338 1.00 1.22 H new ATOM 0 HB VAL A 4 0.718 -5.610 -8.044 1.00 4.41 H new ATOM 0 HG11 VAL A 4 0.078 -3.731 -9.498 1.00 33.31 H new ATOM 0 HG12 VAL A 4 -1.282 -4.844 -9.220 1.00 33.31 H new ATOM 0 HG13 VAL A 4 -1.212 -3.291 -8.355 1.00 33.31 H new ATOM 0 HG21 VAL A 4 1.813 -3.421 -7.767 1.00 44.30 H new ATOM 0 HG22 VAL A 4 0.593 -2.970 -6.552 1.00 44.30 H new ATOM 0 HG23 VAL A 4 1.717 -4.311 -6.229 1.00 44.30 H new ATOM 59 N ARG A 5 -1.507 -7.635 -6.293 1.00 43.21 N ATOM 60 CA ARG A 5 -2.125 -8.893 -6.693 1.00 21.12 C ATOM 61 C ARG A 5 -3.272 -9.257 -5.755 1.00 21.53 C ATOM 62 O ARG A 5 -3.054 -9.576 -4.585 1.00 41.35 O ATOM 63 CB ARG A 5 -1.085 -10.015 -6.705 1.00 35.53 C ATOM 64 CG ARG A 5 -1.431 -11.155 -7.649 1.00 63.31 C ATOM 65 CD ARG A 5 -1.197 -10.766 -9.101 1.00 31.35 C ATOM 66 NE ARG A 5 0.215 -10.841 -9.467 1.00 34.21 N ATOM 67 CZ ARG A 5 0.850 -11.981 -9.714 1.00 61.25 C ATOM 68 NH1 ARG A 5 0.203 -13.136 -9.636 1.00 13.53 N ATOM 69 NH2 ARG A 5 2.136 -11.968 -10.042 1.00 52.21 N ATOM 0 H ARG A 5 -1.100 -7.643 -5.358 1.00 43.21 H new ATOM 0 HA ARG A 5 -2.527 -8.769 -7.699 1.00 21.12 H new ATOM 0 HB2 ARG A 5 -0.118 -9.600 -6.989 1.00 35.53 H new ATOM 0 HB3 ARG A 5 -0.978 -10.411 -5.695 1.00 35.53 H new ATOM 0 HG2 ARG A 5 -0.827 -12.028 -7.403 1.00 63.31 H new ATOM 0 HG3 ARG A 5 -2.474 -11.440 -7.511 1.00 63.31 H new ATOM 0 HD2 ARG A 5 -1.775 -11.424 -9.750 1.00 31.35 H new ATOM 0 HD3 ARG A 5 -1.561 -9.752 -9.268 1.00 31.35 H new ATOM 0 HE ARG A 5 0.742 -9.970 -9.537 1.00 34.21 H new ATOM 0 HH11 ARG A 5 -0.786 -13.151 -9.386 1.00 13.53 H new ATOM 0 HH12 ARG A 5 0.694 -14.010 -9.826 1.00 13.53 H new ATOM 0 HH21 ARG A 5 2.637 -11.082 -10.105 1.00 52.21 H new ATOM 0 HH22 ARG A 5 2.623 -12.844 -10.232 1.00 52.21 H new ATOM 83 N TYR A 6 -4.493 -9.208 -6.275 1.00 71.10 N ATOM 84 CA TYR A 6 -5.675 -9.530 -5.484 1.00 3.14 C ATOM 85 C TYR A 6 -6.469 -10.662 -6.127 1.00 34.21 C ATOM 86 O TYR A 6 -6.464 -10.826 -7.347 1.00 63.54 O ATOM 87 CB TYR A 6 -6.562 -8.294 -5.328 1.00 1.34 C ATOM 88 CG TYR A 6 -7.006 -7.697 -6.644 1.00 71.10 C ATOM 89 CD1 TYR A 6 -6.302 -6.651 -7.228 1.00 0.14 C ATOM 90 CD2 TYR A 6 -8.130 -8.179 -7.304 1.00 10.53 C ATOM 91 CE1 TYR A 6 -6.704 -6.102 -8.430 1.00 33.01 C ATOM 92 CE2 TYR A 6 -8.539 -7.637 -8.507 1.00 2.11 C ATOM 93 CZ TYR A 6 -7.823 -6.599 -9.066 1.00 1.22 C ATOM 94 OH TYR A 6 -8.228 -6.056 -10.264 1.00 3.54 O ATOM 0 H TYR A 6 -4.690 -8.948 -7.241 1.00 71.10 H new ATOM 0 HA TYR A 6 -5.343 -9.858 -4.499 1.00 3.14 H new ATOM 0 HB2 TYR A 6 -7.443 -8.561 -4.744 1.00 1.34 H new ATOM 0 HB3 TYR A 6 -6.020 -7.538 -4.760 1.00 1.34 H new ATOM 0 HD1 TYR A 6 -5.425 -6.260 -6.733 1.00 0.14 H new ATOM 0 HD2 TYR A 6 -8.693 -8.991 -6.869 1.00 10.53 H new ATOM 0 HE1 TYR A 6 -6.146 -5.289 -8.869 1.00 33.01 H new ATOM 0 HE2 TYR A 6 -9.415 -8.024 -9.007 1.00 2.11 H new ATOM 0 HH TYR A 6 -9.031 -6.521 -10.579 1.00 3.54 H new ATOM 104 N THR A 7 -7.154 -11.442 -5.296 1.00 72.11 N ATOM 105 CA THR A 7 -7.954 -12.560 -5.781 1.00 50.43 C ATOM 106 C THR A 7 -9.339 -12.562 -5.145 1.00 12.32 C ATOM 107 O THR A 7 -9.990 -13.603 -5.054 1.00 24.21 O ATOM 108 CB THR A 7 -7.268 -13.908 -5.494 1.00 65.32 C ATOM 109 OG1 THR A 7 -5.973 -13.687 -4.923 1.00 32.40 O ATOM 110 CG2 THR A 7 -7.132 -14.729 -6.768 1.00 41.41 C ATOM 0 H THR A 7 -7.171 -11.320 -4.283 1.00 72.11 H new ATOM 0 HA THR A 7 -8.053 -12.433 -6.859 1.00 50.43 H new ATOM 0 HB THR A 7 -7.887 -14.462 -4.788 1.00 65.32 H new ATOM 0 HG1 THR A 7 -5.544 -14.549 -4.742 1.00 32.40 H new ATOM 0 HG21 THR A 7 -6.644 -15.677 -6.540 1.00 41.41 H new ATOM 0 HG22 THR A 7 -8.121 -14.921 -7.185 1.00 41.41 H new ATOM 0 HG23 THR A 7 -6.533 -14.178 -7.493 1.00 41.41 H new ATOM 118 N TYR A 8 -9.785 -11.390 -4.706 1.00 52.13 N ATOM 119 CA TYR A 8 -11.093 -11.257 -4.076 1.00 75.34 C ATOM 120 C TYR A 8 -11.415 -9.793 -3.792 1.00 75.33 C ATOM 121 O TYR A 8 -10.715 -8.892 -4.252 1.00 43.51 O ATOM 122 CB TYR A 8 -11.141 -12.063 -2.777 1.00 53.00 C ATOM 123 CG TYR A 8 -10.229 -11.525 -1.697 1.00 74.44 C ATOM 124 CD1 TYR A 8 -10.749 -10.924 -0.558 1.00 33.35 C ATOM 125 CD2 TYR A 8 -8.848 -11.618 -1.817 1.00 53.53 C ATOM 126 CE1 TYR A 8 -9.920 -10.431 0.431 1.00 31.03 C ATOM 127 CE2 TYR A 8 -8.012 -11.128 -0.833 1.00 24.51 C ATOM 128 CZ TYR A 8 -8.552 -10.536 0.289 1.00 12.12 C ATOM 129 OH TYR A 8 -7.722 -10.046 1.271 1.00 30.24 O ATOM 0 H TYR A 8 -9.260 -10.518 -4.775 1.00 52.13 H new ATOM 0 HA TYR A 8 -11.841 -11.647 -4.766 1.00 75.34 H new ATOM 0 HB2 TYR A 8 -12.165 -12.074 -2.404 1.00 53.00 H new ATOM 0 HB3 TYR A 8 -10.868 -13.096 -2.990 1.00 53.00 H new ATOM 0 HD1 TYR A 8 -11.820 -10.841 -0.444 1.00 33.35 H new ATOM 0 HD2 TYR A 8 -8.421 -12.081 -2.694 1.00 53.53 H new ATOM 0 HE1 TYR A 8 -10.341 -9.966 1.310 1.00 31.03 H new ATOM 0 HE2 TYR A 8 -6.940 -11.208 -0.942 1.00 24.51 H new ATOM 0 HH TYR A 8 -6.788 -10.200 1.017 1.00 30.24 H new ATOM 139 N ARG A 9 -12.481 -9.566 -3.031 1.00 5.52 N ATOM 140 CA ARG A 9 -12.897 -8.212 -2.685 1.00 10.12 C ATOM 141 C ARG A 9 -12.651 -7.929 -1.206 1.00 14.23 C ATOM 142 O ARG A 9 -13.545 -8.052 -0.368 1.00 53.10 O ATOM 143 CB ARG A 9 -14.377 -8.011 -3.015 1.00 13.14 C ATOM 144 CG ARG A 9 -14.633 -7.639 -4.466 1.00 2.10 C ATOM 145 CD ARG A 9 -15.990 -6.976 -4.640 1.00 74.35 C ATOM 146 NE ARG A 9 -17.085 -7.939 -4.552 1.00 21.14 N ATOM 147 CZ ARG A 9 -18.352 -7.637 -4.811 1.00 33.14 C ATOM 148 NH1 ARG A 9 -18.683 -6.405 -5.173 1.00 61.31 N ATOM 149 NH2 ARG A 9 -19.292 -8.568 -4.708 1.00 21.34 N ATOM 0 H ARG A 9 -13.072 -10.301 -2.643 1.00 5.52 H new ATOM 0 HA ARG A 9 -12.302 -7.514 -3.274 1.00 10.12 H new ATOM 0 HB2 ARG A 9 -14.920 -8.927 -2.783 1.00 13.14 H new ATOM 0 HB3 ARG A 9 -14.781 -7.229 -2.372 1.00 13.14 H new ATOM 0 HG2 ARG A 9 -13.850 -6.965 -4.813 1.00 2.10 H new ATOM 0 HG3 ARG A 9 -14.582 -8.534 -5.087 1.00 2.10 H new ATOM 0 HD2 ARG A 9 -16.119 -6.209 -3.876 1.00 74.35 H new ATOM 0 HD3 ARG A 9 -16.026 -6.473 -5.606 1.00 74.35 H new ATOM 0 HE ARG A 9 -16.864 -8.896 -4.276 1.00 21.14 H new ATOM 0 HH11 ARG A 9 -17.964 -5.686 -5.253 1.00 61.31 H new ATOM 0 HH12 ARG A 9 -19.657 -6.176 -5.371 1.00 61.31 H new ATOM 0 HH21 ARG A 9 -19.042 -9.517 -4.430 1.00 21.34 H new ATOM 0 HH22 ARG A 9 -20.265 -8.335 -4.907 1.00 21.34 H new ATOM 163 N PRO A 10 -11.411 -7.541 -0.875 1.00 43.22 N ATOM 164 CA PRO A 10 -11.019 -7.232 0.503 1.00 25.32 C ATOM 165 C PRO A 10 -11.662 -5.948 1.015 1.00 20.34 C ATOM 166 O PRO A 10 -11.519 -4.887 0.409 1.00 11.52 O ATOM 167 CB PRO A 10 -9.499 -7.070 0.412 1.00 52.53 C ATOM 168 CG PRO A 10 -9.245 -6.676 -1.002 1.00 40.54 C ATOM 169 CD PRO A 10 -10.295 -7.373 -1.822 1.00 13.12 C ATOM 0 HA PRO A 10 -11.338 -8.007 1.200 1.00 25.32 H new ATOM 0 HB2 PRO A 10 -9.139 -6.310 1.106 1.00 52.53 H new ATOM 0 HB3 PRO A 10 -8.986 -7.998 0.663 1.00 52.53 H new ATOM 0 HG2 PRO A 10 -9.310 -5.595 -1.123 1.00 40.54 H new ATOM 0 HG3 PRO A 10 -8.244 -6.973 -1.316 1.00 40.54 H new ATOM 0 HD2 PRO A 10 -10.588 -6.779 -2.688 1.00 13.12 H new ATOM 0 HD3 PRO A 10 -9.940 -8.332 -2.199 1.00 13.12 H new ATOM 177 N SER A 11 -12.370 -6.053 2.135 1.00 14.42 N ATOM 178 CA SER A 11 -13.039 -4.900 2.727 1.00 2.31 C ATOM 179 C SER A 11 -12.022 -3.915 3.296 1.00 44.13 C ATOM 180 O SER A 11 -12.111 -2.709 3.064 1.00 64.24 O ATOM 181 CB SER A 11 -14.000 -5.351 3.829 1.00 42.33 C ATOM 182 OG SER A 11 -14.698 -4.247 4.379 1.00 32.44 O ATOM 0 H SER A 11 -12.495 -6.924 2.651 1.00 14.42 H new ATOM 0 HA SER A 11 -13.606 -4.398 1.943 1.00 2.31 H new ATOM 0 HB2 SER A 11 -14.712 -6.070 3.424 1.00 42.33 H new ATOM 0 HB3 SER A 11 -13.443 -5.862 4.615 1.00 42.33 H new ATOM 0 HG SER A 11 -15.307 -4.561 5.080 1.00 32.44 H new ATOM 188 N VAL A 12 -11.054 -4.438 4.043 1.00 73.15 N ATOM 189 CA VAL A 12 -10.019 -3.607 4.644 1.00 3.33 C ATOM 190 C VAL A 12 -8.697 -4.360 4.741 1.00 22.05 C ATOM 191 O VAL A 12 -8.640 -5.511 5.174 1.00 31.31 O ATOM 192 CB VAL A 12 -10.429 -3.129 6.050 1.00 50.32 C ATOM 193 CG1 VAL A 12 -9.345 -2.247 6.652 1.00 73.32 C ATOM 194 CG2 VAL A 12 -11.758 -2.391 5.994 1.00 11.32 C ATOM 0 H VAL A 12 -10.966 -5.434 4.246 1.00 73.15 H new ATOM 0 HA VAL A 12 -9.893 -2.740 3.996 1.00 3.33 H new ATOM 0 HB VAL A 12 -10.550 -4.002 6.691 1.00 50.32 H new ATOM 0 HG11 VAL A 12 -9.653 -1.919 7.645 1.00 73.32 H new ATOM 0 HG12 VAL A 12 -8.416 -2.813 6.728 1.00 73.32 H new ATOM 0 HG13 VAL A 12 -9.189 -1.377 6.015 1.00 73.32 H new ATOM 0 HG21 VAL A 12 -12.033 -2.060 6.996 1.00 11.32 H new ATOM 0 HG22 VAL A 12 -11.666 -1.525 5.338 1.00 11.32 H new ATOM 0 HG23 VAL A 12 -12.529 -3.058 5.608 1.00 11.32 H new ATOM 204 N PRO A 13 -7.606 -3.696 4.330 1.00 31.52 N ATOM 205 CA PRO A 13 -6.263 -4.284 4.362 1.00 54.30 C ATOM 206 C PRO A 13 -5.741 -4.459 5.784 1.00 43.32 C ATOM 207 O PRO A 13 -6.290 -3.897 6.731 1.00 51.54 O ATOM 208 CB PRO A 13 -5.412 -3.264 3.601 1.00 32.11 C ATOM 209 CG PRO A 13 -6.138 -1.973 3.758 1.00 3.51 C ATOM 210 CD PRO A 13 -7.600 -2.322 3.803 1.00 43.42 C ATOM 0 HA PRO A 13 -6.244 -5.284 3.928 1.00 54.30 H new ATOM 0 HB2 PRO A 13 -4.404 -3.204 4.012 1.00 32.11 H new ATOM 0 HB3 PRO A 13 -5.312 -3.537 2.550 1.00 32.11 H new ATOM 0 HG2 PRO A 13 -5.831 -1.461 4.670 1.00 3.51 H new ATOM 0 HG3 PRO A 13 -5.923 -1.301 2.927 1.00 3.51 H new ATOM 0 HD2 PRO A 13 -8.156 -1.642 4.448 1.00 43.42 H new ATOM 0 HD3 PRO A 13 -8.057 -2.269 2.815 1.00 43.42 H new ATOM 218 N ALA A 14 -4.676 -5.241 5.926 1.00 71.32 N ATOM 219 CA ALA A 14 -4.078 -5.488 7.232 1.00 50.10 C ATOM 220 C ALA A 14 -3.047 -4.418 7.574 1.00 23.14 C ATOM 221 O ALA A 14 -2.934 -3.996 8.726 1.00 51.13 O ATOM 222 CB ALA A 14 -3.441 -6.869 7.268 1.00 23.14 C ATOM 0 H ALA A 14 -4.210 -5.714 5.152 1.00 71.32 H new ATOM 0 HA ALA A 14 -4.869 -5.446 7.981 1.00 50.10 H new ATOM 0 HB1 ALA A 14 -2.998 -7.040 8.249 1.00 23.14 H new ATOM 0 HB2 ALA A 14 -4.202 -7.626 7.076 1.00 23.14 H new ATOM 0 HB3 ALA A 14 -2.666 -6.932 6.504 1.00 23.14 H new ATOM 228 N HIS A 15 -2.295 -3.984 6.568 1.00 42.32 N ATOM 229 CA HIS A 15 -1.272 -2.962 6.763 1.00 21.50 C ATOM 230 C HIS A 15 -0.651 -2.554 5.431 1.00 65.33 C ATOM 231 O HIS A 15 -0.051 -3.376 4.737 1.00 54.13 O ATOM 232 CB HIS A 15 -0.186 -3.473 7.710 1.00 22.04 C ATOM 233 CG HIS A 15 0.387 -4.797 7.307 1.00 43.42 C ATOM 234 ND1 HIS A 15 -0.238 -5.998 7.566 1.00 23.03 N ATOM 235 CD2 HIS A 15 1.534 -5.104 6.657 1.00 3.40 C ATOM 236 CE1 HIS A 15 0.501 -6.987 7.095 1.00 11.21 C ATOM 237 NE2 HIS A 15 1.582 -6.471 6.538 1.00 14.20 N ATOM 0 H HIS A 15 -2.374 -4.324 5.610 1.00 42.32 H new ATOM 0 HA HIS A 15 -1.747 -2.086 7.205 1.00 21.50 H new ATOM 0 HB2 HIS A 15 0.618 -2.738 7.758 1.00 22.04 H new ATOM 0 HB3 HIS A 15 -0.601 -3.557 8.714 1.00 22.04 H new ATOM 0 HD2 HIS A 15 2.274 -4.404 6.299 1.00 3.40 H new ATOM 0 HE1 HIS A 15 0.262 -8.038 7.155 1.00 11.21 H new ATOM 0 HE2 HIS A 15 2.330 -7.002 6.092 1.00 14.20 H new ATOM 245 N ARG A 16 -0.798 -1.281 5.080 1.00 73.02 N ATOM 246 CA ARG A 16 -0.253 -0.765 3.830 1.00 55.21 C ATOM 247 C ARG A 16 0.671 0.421 4.089 1.00 43.04 C ATOM 248 O ARG A 16 0.633 1.419 3.369 1.00 12.44 O ATOM 249 CB ARG A 16 -1.385 -0.347 2.889 1.00 13.14 C ATOM 250 CG ARG A 16 -2.169 -1.519 2.321 1.00 42.31 C ATOM 251 CD ARG A 16 -3.002 -1.101 1.119 1.00 32.15 C ATOM 252 NE ARG A 16 -4.123 -0.246 1.501 1.00 2.22 N ATOM 253 CZ ARG A 16 -4.866 0.426 0.628 1.00 25.43 C ATOM 254 NH1 ARG A 16 -4.608 0.341 -0.670 1.00 32.14 N ATOM 255 NH2 ARG A 16 -5.869 1.183 1.053 1.00 5.41 N ATOM 0 H ARG A 16 -1.290 -0.588 5.644 1.00 73.02 H new ATOM 0 HA ARG A 16 0.326 -1.560 3.360 1.00 55.21 H new ATOM 0 HB2 ARG A 16 -2.069 0.310 3.426 1.00 13.14 H new ATOM 0 HB3 ARG A 16 -0.967 0.232 2.066 1.00 13.14 H new ATOM 0 HG2 ARG A 16 -1.480 -2.312 2.030 1.00 42.31 H new ATOM 0 HG3 ARG A 16 -2.821 -1.930 3.092 1.00 42.31 H new ATOM 0 HD2 ARG A 16 -2.370 -0.572 0.406 1.00 32.15 H new ATOM 0 HD3 ARG A 16 -3.380 -1.989 0.613 1.00 32.15 H new ATOM 0 HE ARG A 16 -4.348 -0.160 2.492 1.00 2.22 H new ATOM 0 HH11 ARG A 16 -3.838 -0.241 -1.000 1.00 32.14 H new ATOM 0 HH12 ARG A 16 -5.180 0.858 -1.338 1.00 32.14 H new ATOM 0 HH21 ARG A 16 -6.070 1.250 2.051 1.00 5.41 H new ATOM 0 HH22 ARG A 16 -6.439 1.698 0.382 1.00 5.41 H new ATOM 269 N ARG A 17 1.501 0.304 5.120 1.00 30.32 N ATOM 270 CA ARG A 17 2.434 1.366 5.475 1.00 40.31 C ATOM 271 C ARG A 17 3.718 0.788 6.062 1.00 45.41 C ATOM 272 O ARG A 17 3.846 -0.424 6.230 1.00 30.51 O ATOM 273 CB ARG A 17 1.790 2.327 6.477 1.00 72.55 C ATOM 274 CG ARG A 17 1.075 3.498 5.824 1.00 51.23 C ATOM 275 CD ARG A 17 -0.025 4.048 6.718 1.00 10.21 C ATOM 276 NE ARG A 17 0.460 5.115 7.589 1.00 1.41 N ATOM 277 CZ ARG A 17 0.740 6.342 7.163 1.00 55.02 C ATOM 278 NH1 ARG A 17 0.582 6.655 5.884 1.00 22.10 N ATOM 279 NH2 ARG A 17 1.177 7.259 8.016 1.00 32.15 N ATOM 0 H ARG A 17 1.546 -0.516 5.725 1.00 30.32 H new ATOM 0 HA ARG A 17 2.684 1.914 4.566 1.00 40.31 H new ATOM 0 HB2 ARG A 17 1.079 1.775 7.092 1.00 72.55 H new ATOM 0 HB3 ARG A 17 2.560 2.710 7.147 1.00 72.55 H new ATOM 0 HG2 ARG A 17 1.794 4.287 5.603 1.00 51.23 H new ATOM 0 HG3 ARG A 17 0.648 3.180 4.873 1.00 51.23 H new ATOM 0 HD2 ARG A 17 -0.839 4.427 6.100 1.00 10.21 H new ATOM 0 HD3 ARG A 17 -0.435 3.242 7.326 1.00 10.21 H new ATOM 0 HE ARG A 17 0.591 4.907 8.579 1.00 1.41 H new ATOM 0 HH11 ARG A 17 0.245 5.953 5.225 1.00 22.10 H new ATOM 0 HH12 ARG A 17 0.798 7.598 5.559 1.00 22.10 H new ATOM 0 HH21 ARG A 17 1.299 7.023 9.001 1.00 32.15 H new ATOM 0 HH22 ARG A 17 1.391 8.200 7.687 1.00 32.15 H new ATOM 293 N VAL A 18 4.669 1.665 6.371 1.00 15.24 N ATOM 294 CA VAL A 18 5.943 1.243 6.940 1.00 71.30 C ATOM 295 C VAL A 18 5.861 1.145 8.459 1.00 5.22 C ATOM 296 O VAL A 18 6.610 0.394 9.084 1.00 21.21 O ATOM 297 CB VAL A 18 7.077 2.213 6.559 1.00 53.02 C ATOM 298 CG1 VAL A 18 6.860 3.570 7.211 1.00 41.11 C ATOM 299 CG2 VAL A 18 8.428 1.634 6.951 1.00 75.53 C ATOM 0 H VAL A 18 4.580 2.672 6.236 1.00 15.24 H new ATOM 0 HA VAL A 18 6.163 0.259 6.527 1.00 71.30 H new ATOM 0 HB VAL A 18 7.066 2.350 5.478 1.00 53.02 H new ATOM 0 HG11 VAL A 18 7.671 4.242 6.931 1.00 41.11 H new ATOM 0 HG12 VAL A 18 5.910 3.987 6.876 1.00 41.11 H new ATOM 0 HG13 VAL A 18 6.843 3.454 8.295 1.00 41.11 H new ATOM 0 HG21 VAL A 18 9.217 2.333 6.674 1.00 75.53 H new ATOM 0 HG22 VAL A 18 8.453 1.466 8.028 1.00 75.53 H new ATOM 0 HG23 VAL A 18 8.583 0.688 6.432 1.00 75.53 H new ATOM 309 N ARG A 19 4.947 1.910 9.048 1.00 62.55 N ATOM 310 CA ARG A 19 4.768 1.910 10.494 1.00 20.14 C ATOM 311 C ARG A 19 3.301 1.707 10.861 1.00 54.54 C ATOM 312 O ARG A 19 2.688 2.560 11.503 1.00 45.13 O ATOM 313 CB ARG A 19 5.278 3.223 11.092 1.00 34.54 C ATOM 314 CG ARG A 19 6.775 3.233 11.351 1.00 44.35 C ATOM 315 CD ARG A 19 7.341 4.644 11.290 1.00 31.43 C ATOM 316 NE ARG A 19 6.694 5.534 12.250 1.00 54.32 N ATOM 317 CZ ARG A 19 7.115 6.767 12.508 1.00 10.31 C ATOM 318 NH1 ARG A 19 8.177 7.253 11.881 1.00 4.33 N ATOM 319 NH2 ARG A 19 6.473 7.517 13.395 1.00 52.13 N ATOM 0 H ARG A 19 4.319 2.537 8.545 1.00 62.55 H new ATOM 0 HA ARG A 19 5.345 1.082 10.906 1.00 20.14 H new ATOM 0 HB2 ARG A 19 5.029 4.041 10.416 1.00 34.54 H new ATOM 0 HB3 ARG A 19 4.754 3.413 12.029 1.00 34.54 H new ATOM 0 HG2 ARG A 19 6.979 2.800 12.330 1.00 44.35 H new ATOM 0 HG3 ARG A 19 7.277 2.606 10.614 1.00 44.35 H new ATOM 0 HD2 ARG A 19 8.412 4.614 11.488 1.00 31.43 H new ATOM 0 HD3 ARG A 19 7.214 5.042 10.283 1.00 31.43 H new ATOM 0 HE ARG A 19 5.874 5.190 12.750 1.00 54.32 H new ATOM 0 HH11 ARG A 19 8.673 6.680 11.199 1.00 4.33 H new ATOM 0 HH12 ARG A 19 8.498 8.200 12.081 1.00 4.33 H new ATOM 0 HH21 ARG A 19 5.655 7.147 13.879 1.00 52.13 H new ATOM 0 HH22 ARG A 19 6.797 8.464 13.592 1.00 52.13 H new ATOM 333 N GLU A 20 2.744 0.574 10.447 1.00 74.43 N ATOM 334 CA GLU A 20 1.348 0.261 10.730 1.00 31.24 C ATOM 335 C GLU A 20 1.184 -1.212 11.096 1.00 53.32 C ATOM 336 O GLU A 20 1.838 -2.082 10.521 1.00 3.54 O ATOM 337 CB GLU A 20 0.471 0.599 9.523 1.00 32.11 C ATOM 338 CG GLU A 20 -0.982 0.862 9.881 1.00 33.30 C ATOM 339 CD GLU A 20 -1.198 2.244 10.466 1.00 73.00 C ATOM 340 OE1 GLU A 20 -0.377 2.666 11.307 1.00 14.32 O ATOM 341 OE2 GLU A 20 -2.187 2.903 10.083 1.00 34.13 O ATOM 0 H GLU A 20 3.238 -0.143 9.915 1.00 74.43 H new ATOM 0 HA GLU A 20 1.032 0.866 11.580 1.00 31.24 H new ATOM 0 HB2 GLU A 20 0.878 1.478 9.023 1.00 32.11 H new ATOM 0 HB3 GLU A 20 0.517 -0.223 8.809 1.00 32.11 H new ATOM 0 HG2 GLU A 20 -1.598 0.749 8.989 1.00 33.30 H new ATOM 0 HG3 GLU A 20 -1.317 0.112 10.597 1.00 33.30 H new ATOM 348 N SER A 21 0.305 -1.483 12.056 1.00 42.32 N ATOM 349 CA SER A 21 0.057 -2.849 12.502 1.00 44.32 C ATOM 350 C SER A 21 -1.178 -2.913 13.395 1.00 50.03 C ATOM 351 O SER A 21 -1.088 -3.078 14.611 1.00 12.25 O ATOM 352 CB SER A 21 1.274 -3.390 13.255 1.00 32.32 C ATOM 353 OG SER A 21 1.483 -2.680 14.464 1.00 72.53 O ATOM 0 H SER A 21 -0.247 -0.775 12.540 1.00 42.32 H new ATOM 0 HA SER A 21 -0.121 -3.466 11.622 1.00 44.32 H new ATOM 0 HB2 SER A 21 1.131 -4.449 13.471 1.00 32.32 H new ATOM 0 HB3 SER A 21 2.160 -3.311 12.625 1.00 32.32 H new ATOM 0 HG SER A 21 0.680 -2.741 15.022 1.00 72.53 H new ATOM 359 N PRO A 22 -2.361 -2.780 12.777 1.00 51.31 N ATOM 360 CA PRO A 22 -3.638 -2.820 13.495 1.00 13.53 C ATOM 361 C PRO A 22 -3.962 -4.212 14.026 1.00 24.00 C ATOM 362 O PRO A 22 -3.675 -5.218 13.375 1.00 55.31 O ATOM 363 CB PRO A 22 -4.657 -2.403 12.431 1.00 1.14 C ATOM 364 CG PRO A 22 -4.022 -2.770 11.135 1.00 70.23 C ATOM 365 CD PRO A 22 -2.543 -2.580 11.329 1.00 31.33 C ATOM 0 HA PRO A 22 -3.631 -2.176 14.374 1.00 13.53 H new ATOM 0 HB2 PRO A 22 -5.606 -2.921 12.567 1.00 1.14 H new ATOM 0 HB3 PRO A 22 -4.867 -1.335 12.481 1.00 1.14 H new ATOM 0 HG2 PRO A 22 -4.251 -3.801 10.867 1.00 70.23 H new ATOM 0 HG3 PRO A 22 -4.393 -2.140 10.326 1.00 70.23 H new ATOM 0 HD2 PRO A 22 -1.966 -3.299 10.748 1.00 31.33 H new ATOM 0 HD3 PRO A 22 -2.221 -1.587 11.017 1.00 31.33 H new ATOM 373 N LEU A 23 -4.560 -4.264 15.211 1.00 23.20 N ATOM 374 CA LEU A 23 -4.923 -5.535 15.829 1.00 1.55 C ATOM 375 C LEU A 23 -6.406 -5.832 15.632 1.00 41.01 C ATOM 376 O LEU A 23 -6.772 -6.832 15.014 1.00 23.05 O ATOM 377 CB LEU A 23 -4.590 -5.511 17.322 1.00 32.13 C ATOM 378 CG LEU A 23 -3.124 -5.748 17.687 1.00 12.21 C ATOM 379 CD1 LEU A 23 -2.648 -7.085 17.141 1.00 4.23 C ATOM 380 CD2 LEU A 23 -2.254 -4.615 17.162 1.00 15.23 C ATOM 0 H LEU A 23 -4.804 -3.442 15.763 1.00 23.20 H new ATOM 0 HA LEU A 23 -4.346 -6.324 15.346 1.00 1.55 H new ATOM 0 HB2 LEU A 23 -4.892 -4.545 17.726 1.00 32.13 H new ATOM 0 HB3 LEU A 23 -5.195 -6.268 17.821 1.00 32.13 H new ATOM 0 HG LEU A 23 -3.039 -5.771 18.773 1.00 12.21 H new ATOM 0 HD11 LEU A 23 -1.603 -7.237 17.410 1.00 4.23 H new ATOM 0 HD12 LEU A 23 -3.252 -7.887 17.565 1.00 4.23 H new ATOM 0 HD13 LEU A 23 -2.747 -7.091 16.056 1.00 4.23 H new ATOM 0 HD21 LEU A 23 -1.214 -4.800 17.431 1.00 15.23 H new ATOM 0 HD22 LEU A 23 -2.344 -4.560 16.077 1.00 15.23 H new ATOM 0 HD23 LEU A 23 -2.580 -3.672 17.601 1.00 15.23 H new ATOM 392 N SER A 24 -7.255 -4.956 16.159 1.00 52.33 N ATOM 393 CA SER A 24 -8.699 -5.125 16.042 1.00 62.13 C ATOM 394 C SER A 24 -9.104 -5.349 14.588 1.00 45.42 C ATOM 395 O SER A 24 -10.086 -6.033 14.304 1.00 72.33 O ATOM 396 CB SER A 24 -9.424 -3.901 16.602 1.00 14.54 C ATOM 397 OG SER A 24 -9.074 -2.728 15.888 1.00 64.23 O ATOM 0 H SER A 24 -6.968 -4.122 16.671 1.00 52.33 H new ATOM 0 HA SER A 24 -8.985 -6.004 16.620 1.00 62.13 H new ATOM 0 HB2 SER A 24 -10.501 -4.056 16.546 1.00 14.54 H new ATOM 0 HB3 SER A 24 -9.174 -3.777 17.656 1.00 14.54 H new ATOM 0 HG SER A 24 -9.553 -1.960 16.265 1.00 64.23 H new ATOM 403 N SER A 25 -8.338 -4.766 13.671 1.00 51.53 N ATOM 404 CA SER A 25 -8.618 -4.897 12.246 1.00 40.13 C ATOM 405 C SER A 25 -8.771 -6.364 11.855 1.00 12.21 C ATOM 406 O SER A 25 -9.739 -6.744 11.196 1.00 32.35 O ATOM 407 CB SER A 25 -7.500 -4.253 11.423 1.00 13.54 C ATOM 408 OG SER A 25 -6.275 -4.942 11.600 1.00 2.43 O ATOM 0 H SER A 25 -7.519 -4.199 13.890 1.00 51.53 H new ATOM 0 HA SER A 25 -9.556 -4.383 12.037 1.00 40.13 H new ATOM 0 HB2 SER A 25 -7.773 -4.256 10.368 1.00 13.54 H new ATOM 0 HB3 SER A 25 -7.381 -3.211 11.719 1.00 13.54 H new ATOM 0 HG SER A 25 -5.964 -5.284 10.736 1.00 2.43 H new ATOM 414 N ASP A 26 -7.809 -7.182 12.266 1.00 31.32 N ATOM 415 CA ASP A 26 -7.836 -8.608 11.961 1.00 30.10 C ATOM 416 C ASP A 26 -8.686 -9.365 12.977 1.00 25.20 C ATOM 417 O ASP A 26 -9.231 -10.427 12.677 1.00 43.24 O ATOM 418 CB ASP A 26 -6.415 -9.174 11.942 1.00 34.35 C ATOM 419 CG ASP A 26 -6.322 -10.478 11.175 1.00 21.51 C ATOM 420 OD1 ASP A 26 -6.321 -11.548 11.820 1.00 35.11 O ATOM 421 OD2 ASP A 26 -6.250 -10.430 9.930 1.00 51.45 O ATOM 0 H ASP A 26 -7.001 -6.883 12.811 1.00 31.32 H new ATOM 0 HA ASP A 26 -8.282 -8.736 10.975 1.00 30.10 H new ATOM 0 HB2 ASP A 26 -5.742 -8.443 11.494 1.00 34.35 H new ATOM 0 HB3 ASP A 26 -6.077 -9.333 12.966 1.00 34.35 H new ATOM 426 N ALA A 27 -8.792 -8.812 14.181 1.00 72.32 N ATOM 427 CA ALA A 27 -9.576 -9.435 15.241 1.00 43.34 C ATOM 428 C ALA A 27 -11.007 -9.695 14.785 1.00 54.44 C ATOM 429 O ALA A 27 -11.676 -10.596 15.291 1.00 21.31 O ATOM 430 CB ALA A 27 -9.567 -8.561 16.486 1.00 2.12 C ATOM 0 H ALA A 27 -8.345 -7.934 14.447 1.00 72.32 H new ATOM 0 HA ALA A 27 -9.119 -10.395 15.481 1.00 43.34 H new ATOM 0 HB1 ALA A 27 -10.156 -9.038 17.270 1.00 2.12 H new ATOM 0 HB2 ALA A 27 -8.541 -8.430 16.831 1.00 2.12 H new ATOM 0 HB3 ALA A 27 -9.997 -7.588 16.250 1.00 2.12 H new ATOM 436 N ILE A 28 -11.472 -8.899 13.827 1.00 61.41 N ATOM 437 CA ILE A 28 -12.824 -9.045 13.303 1.00 14.42 C ATOM 438 C ILE A 28 -13.099 -10.484 12.883 1.00 74.34 C ATOM 439 O ILE A 28 -14.225 -10.971 12.994 1.00 1.13 O ATOM 440 CB ILE A 28 -13.065 -8.115 12.099 1.00 3.00 C ATOM 441 CG1 ILE A 28 -12.829 -6.657 12.498 1.00 42.34 C ATOM 442 CG2 ILE A 28 -14.475 -8.301 11.560 1.00 40.24 C ATOM 443 CD1 ILE A 28 -13.791 -6.155 13.552 1.00 60.15 C ATOM 0 H ILE A 28 -10.932 -8.147 13.399 1.00 61.41 H new ATOM 0 HA ILE A 28 -13.505 -8.768 14.107 1.00 14.42 H new ATOM 0 HB ILE A 28 -12.359 -8.375 11.311 1.00 3.00 H new ATOM 0 HG12 ILE A 28 -11.809 -6.551 12.868 1.00 42.34 H new ATOM 0 HG13 ILE A 28 -12.913 -6.028 11.612 1.00 42.34 H new ATOM 0 HG21 ILE A 28 -14.630 -7.637 10.710 1.00 40.24 H new ATOM 0 HG22 ILE A 28 -14.610 -9.335 11.242 1.00 40.24 H new ATOM 0 HG23 ILE A 28 -15.197 -8.064 12.341 1.00 40.24 H new ATOM 0 HD11 ILE A 28 -13.564 -5.115 13.786 1.00 60.15 H new ATOM 0 HD12 ILE A 28 -14.812 -6.229 13.177 1.00 60.15 H new ATOM 0 HD13 ILE A 28 -13.691 -6.759 14.454 1.00 60.15 H new ATOM 455 N PHE A 29 -12.063 -11.162 12.400 1.00 73.02 N ATOM 456 CA PHE A 29 -12.192 -12.547 11.963 1.00 75.30 C ATOM 457 C PHE A 29 -11.952 -13.508 13.124 1.00 64.35 C ATOM 458 O PHE A 29 -12.456 -14.631 13.130 1.00 33.33 O ATOM 459 CB PHE A 29 -11.207 -12.841 10.830 1.00 70.01 C ATOM 460 CG PHE A 29 -11.458 -14.152 10.142 1.00 73.32 C ATOM 461 CD1 PHE A 29 -12.173 -14.202 8.956 1.00 43.42 C ATOM 462 CD2 PHE A 29 -10.980 -15.336 10.681 1.00 13.45 C ATOM 463 CE1 PHE A 29 -12.405 -15.407 8.320 1.00 54.43 C ATOM 464 CE2 PHE A 29 -11.209 -16.543 10.050 1.00 75.32 C ATOM 465 CZ PHE A 29 -11.924 -16.579 8.868 1.00 21.12 C ATOM 0 H PHE A 29 -11.125 -10.775 12.301 1.00 73.02 H new ATOM 0 HA PHE A 29 -13.208 -12.693 11.598 1.00 75.30 H new ATOM 0 HB2 PHE A 29 -11.261 -12.038 10.095 1.00 70.01 H new ATOM 0 HB3 PHE A 29 -10.193 -12.838 11.231 1.00 70.01 H new ATOM 0 HD1 PHE A 29 -12.554 -13.288 8.523 1.00 43.42 H new ATOM 0 HD2 PHE A 29 -10.422 -15.315 11.605 1.00 13.45 H new ATOM 0 HE1 PHE A 29 -12.962 -15.432 7.395 1.00 54.43 H new ATOM 0 HE2 PHE A 29 -10.830 -17.458 10.480 1.00 75.32 H new ATOM 0 HZ PHE A 29 -12.106 -17.522 8.374 1.00 21.12 H new ATOM 475 N LYS A 30 -11.176 -13.059 14.104 1.00 20.14 N ATOM 476 CA LYS A 30 -10.867 -13.877 15.272 1.00 50.45 C ATOM 477 C LYS A 30 -12.125 -14.158 16.087 1.00 2.54 C ATOM 478 O LYS A 30 -12.225 -15.187 16.755 1.00 41.34 O ATOM 479 CB LYS A 30 -9.824 -13.179 16.147 1.00 2.40 C ATOM 480 CG LYS A 30 -8.453 -13.083 15.500 1.00 1.31 C ATOM 481 CD LYS A 30 -7.368 -12.816 16.530 1.00 63.41 C ATOM 482 CE LYS A 30 -6.037 -12.497 15.867 1.00 3.41 C ATOM 483 NZ LYS A 30 -5.413 -13.706 15.262 1.00 33.45 N ATOM 0 H LYS A 30 -10.749 -12.133 14.113 1.00 20.14 H new ATOM 0 HA LYS A 30 -10.462 -14.827 14.923 1.00 50.45 H new ATOM 0 HB2 LYS A 30 -10.175 -12.175 16.385 1.00 2.40 H new ATOM 0 HB3 LYS A 30 -9.734 -13.718 17.090 1.00 2.40 H new ATOM 0 HG2 LYS A 30 -8.234 -14.010 14.971 1.00 1.31 H new ATOM 0 HG3 LYS A 30 -8.455 -12.285 14.757 1.00 1.31 H new ATOM 0 HD2 LYS A 30 -7.667 -11.984 17.168 1.00 63.41 H new ATOM 0 HD3 LYS A 30 -7.255 -13.687 17.175 1.00 63.41 H new ATOM 0 HE2 LYS A 30 -6.188 -11.742 15.096 1.00 3.41 H new ATOM 0 HE3 LYS A 30 -5.358 -12.069 16.604 1.00 3.41 H new ATOM 0 HZ1 LYS A 30 -4.508 -13.446 14.821 1.00 33.45 H new ATOM 0 HZ2 LYS A 30 -5.245 -14.417 16.002 1.00 33.45 H new ATOM 0 HZ3 LYS A 30 -6.049 -14.101 14.540 1.00 33.45 H new ATOM 497 N GLN A 31 -13.081 -13.237 16.028 1.00 55.25 N ATOM 498 CA GLN A 31 -14.333 -13.387 16.761 1.00 62.22 C ATOM 499 C GLN A 31 -15.182 -14.505 16.165 1.00 61.31 C ATOM 500 O GLN A 31 -15.941 -15.166 16.873 1.00 30.43 O ATOM 501 CB GLN A 31 -15.117 -12.074 16.749 1.00 44.33 C ATOM 502 CG GLN A 31 -14.398 -10.930 17.446 1.00 43.24 C ATOM 503 CD GLN A 31 -15.274 -9.704 17.611 1.00 52.04 C ATOM 504 OE1 GLN A 31 -15.779 -9.151 16.633 1.00 63.11 O ATOM 505 NE2 GLN A 31 -15.461 -9.272 18.852 1.00 5.04 N ATOM 0 H GLN A 31 -13.013 -12.379 15.480 1.00 55.25 H new ATOM 0 HA GLN A 31 -14.092 -13.648 17.791 1.00 62.22 H new ATOM 0 HB2 GLN A 31 -15.318 -11.790 15.716 1.00 44.33 H new ATOM 0 HB3 GLN A 31 -16.082 -12.232 17.230 1.00 44.33 H new ATOM 0 HG2 GLN A 31 -14.058 -11.263 18.426 1.00 43.24 H new ATOM 0 HG3 GLN A 31 -13.509 -10.663 16.874 1.00 43.24 H new ATOM 0 HE21 GLN A 31 -15.024 -9.760 19.633 1.00 5.04 H new ATOM 0 HE22 GLN A 31 -16.042 -8.452 19.024 1.00 5.04 H new ATOM 514 N SER A 32 -15.049 -14.711 14.858 1.00 5.25 N ATOM 515 CA SER A 32 -15.807 -15.746 14.166 1.00 22.32 C ATOM 516 C SER A 32 -15.276 -17.133 14.516 1.00 72.44 C ATOM 517 O SER A 32 -16.039 -18.028 14.882 1.00 24.32 O ATOM 518 CB SER A 32 -15.743 -15.530 12.653 1.00 2.51 C ATOM 519 OG SER A 32 -16.068 -14.192 12.315 1.00 33.33 O ATOM 0 H SER A 32 -14.423 -14.174 14.258 1.00 5.25 H new ATOM 0 HA SER A 32 -16.845 -15.680 14.491 1.00 22.32 H new ATOM 0 HB2 SER A 32 -14.743 -15.767 12.290 1.00 2.51 H new ATOM 0 HB3 SER A 32 -16.433 -16.212 12.156 1.00 2.51 H new ATOM 0 HG SER A 32 -16.018 -14.079 11.343 1.00 33.33 H new ATOM 525 N HIS A 33 -13.963 -17.304 14.399 1.00 31.50 N ATOM 526 CA HIS A 33 -13.329 -18.582 14.703 1.00 63.22 C ATOM 527 C HIS A 33 -13.594 -18.990 16.149 1.00 72.53 C ATOM 528 O HIS A 33 -13.648 -18.145 17.042 1.00 3.04 O ATOM 529 CB HIS A 33 -11.823 -18.500 14.452 1.00 24.21 C ATOM 530 CG HIS A 33 -11.204 -19.814 14.084 1.00 12.14 C ATOM 531 ND1 HIS A 33 -11.402 -20.423 12.864 1.00 73.54 N ATOM 532 CD2 HIS A 33 -10.386 -20.634 14.785 1.00 74.23 C ATOM 533 CE1 HIS A 33 -10.734 -21.563 12.829 1.00 15.23 C ATOM 534 NE2 HIS A 33 -10.109 -21.714 13.983 1.00 71.01 N ATOM 0 H HIS A 33 -13.318 -16.574 14.096 1.00 31.50 H new ATOM 0 HA HIS A 33 -13.759 -19.338 14.046 1.00 63.22 H new ATOM 0 HB2 HIS A 33 -11.635 -17.783 13.653 1.00 24.21 H new ATOM 0 HB3 HIS A 33 -11.334 -18.116 15.347 1.00 24.21 H new ATOM 0 HD2 HIS A 33 -10.020 -20.470 15.788 1.00 74.23 H new ATOM 0 HE1 HIS A 33 -10.704 -22.253 11.999 1.00 15.23 H new ATOM 0 HE2 HIS A 33 -9.517 -22.505 14.237 1.00 71.01 H new TER 542 HIS A 33