USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 597 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 47 SER OG : rot 56:sc= 1.06 USER MOD Set 1.2: A 51 THR OG1 : rot 180:sc= 0.678 USER MOD Set 1.3: A 54 GLN : amide:sc= 0.501 K(o=2.2,f=-0.58!) USER MOD Single : A 2 ASN : amide:sc= 1.16 K(o=1.2,f=-0.039) USER MOD Single : A 6 TYR OH : rot -149:sc= 1.28 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=-0.063) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 98:sc= 1.24 USER MOD Single : A 23 SER OG : rot 75:sc= 0.256 USER MOD Single : A 24 LYS NZ :NH3+ -160:sc= 1.43 (180deg=1.04) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0.853 K(o=0.85,f=0) USER MOD Single : A 39 LYS NZ :NH3+ -157:sc= 0.478 (180deg=-0.154) USER MOD Single : A 43 MET CE :methyl -167:sc= -3.66 (180deg=-4.65) USER MOD Single : A 45 LYS NZ :NH3+ 177:sc= 1.15 (180deg=1.15) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 HIS : no HE2:sc= -0.217 X(o=-0.22,f=-0.45) USER MOD Single : A 65 TYR OH : rot -65:sc= 1.18 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 13 N ASN A 2 -5.315 8.810 -6.657 1.00 0.00 N ATOM 14 CA ASN A 2 -4.015 8.148 -6.721 1.00 0.00 C ATOM 15 C ASN A 2 -3.862 7.173 -5.571 1.00 0.00 C ATOM 16 O ASN A 2 -3.965 7.581 -4.416 1.00 0.00 O ATOM 17 CB ASN A 2 -2.809 9.107 -6.754 1.00 0.00 C ATOM 18 CG ASN A 2 -3.039 10.492 -7.333 1.00 0.00 C ATOM 19 OD1 ASN A 2 -2.531 10.785 -8.411 1.00 0.00 O ATOM 20 ND2 ASN A 2 -3.706 11.399 -6.643 1.00 0.00 N ATOM 0 HA ASN A 2 -4.007 7.620 -7.675 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -2.442 9.224 -5.734 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -2.013 8.630 -7.326 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -3.801 12.348 -7.006 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -4.127 11.151 -5.747 1.00 0.00 H new ATOM 27 N VAL A 3 -3.554 5.912 -5.875 1.00 0.00 N ATOM 28 CA VAL A 3 -3.289 4.882 -4.882 1.00 0.00 C ATOM 29 C VAL A 3 -1.996 4.195 -5.254 1.00 0.00 C ATOM 30 O VAL A 3 -1.832 3.750 -6.389 1.00 0.00 O ATOM 31 CB VAL A 3 -4.459 3.887 -4.785 1.00 0.00 C ATOM 32 CG1 VAL A 3 -4.167 2.783 -3.748 1.00 0.00 C ATOM 33 CG2 VAL A 3 -5.707 4.684 -4.383 1.00 0.00 C ATOM 0 H VAL A 3 -3.482 5.577 -6.836 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.190 5.331 -3.894 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.609 3.391 -5.744 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -5.011 2.095 -3.701 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -3.270 2.237 -4.040 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -4.013 3.235 -2.768 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -6.560 4.010 -4.304 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.536 5.167 -3.421 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.913 5.443 -5.138 1.00 0.00 H new ATOM 43 N GLU A 4 -1.106 4.075 -4.279 1.00 0.00 N ATOM 44 CA GLU A 4 0.185 3.446 -4.414 1.00 0.00 C ATOM 45 C GLU A 4 0.360 2.446 -3.282 1.00 0.00 C ATOM 46 O GLU A 4 -0.090 2.704 -2.164 1.00 0.00 O ATOM 47 CB GLU A 4 1.267 4.535 -4.344 1.00 0.00 C ATOM 48 CG GLU A 4 1.467 5.295 -5.656 1.00 0.00 C ATOM 49 CD GLU A 4 2.706 6.187 -5.589 1.00 0.00 C ATOM 50 OE1 GLU A 4 2.702 7.185 -4.835 1.00 0.00 O ATOM 51 OE2 GLU A 4 3.694 5.911 -6.304 1.00 0.00 O ATOM 0 H GLU A 4 -1.278 4.430 -3.338 1.00 0.00 H new ATOM 0 HA GLU A 4 0.267 2.921 -5.366 1.00 0.00 H new ATOM 0 HB2 GLU A 4 1.003 5.245 -3.561 1.00 0.00 H new ATOM 0 HB3 GLU A 4 2.212 4.076 -4.054 1.00 0.00 H new ATOM 0 HG2 GLU A 4 1.568 4.587 -6.479 1.00 0.00 H new ATOM 0 HG3 GLU A 4 0.587 5.904 -5.866 1.00 0.00 H new ATOM 58 N ILE A 5 1.020 1.316 -3.549 1.00 0.00 N ATOM 59 CA ILE A 5 1.271 0.296 -2.545 1.00 0.00 C ATOM 60 C ILE A 5 2.667 -0.295 -2.736 1.00 0.00 C ATOM 61 O ILE A 5 2.949 -0.949 -3.740 1.00 0.00 O ATOM 62 CB ILE A 5 0.103 -0.714 -2.519 1.00 0.00 C ATOM 63 CG1 ILE A 5 0.203 -1.569 -1.235 1.00 0.00 C ATOM 64 CG2 ILE A 5 -0.053 -1.595 -3.770 1.00 0.00 C ATOM 65 CD1 ILE A 5 -0.976 -2.529 -1.024 1.00 0.00 C ATOM 0 H ILE A 5 1.393 1.089 -4.471 1.00 0.00 H new ATOM 0 HA ILE A 5 1.290 0.721 -1.542 1.00 0.00 H new ATOM 0 HB ILE A 5 -0.808 -0.116 -2.519 1.00 0.00 H new ATOM 0 HG12 ILE A 5 1.126 -2.147 -1.268 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.274 -0.904 -0.374 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -0.903 -2.264 -3.640 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -0.219 -0.962 -4.642 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.853 -2.183 -3.916 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.827 -3.091 -0.102 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.902 -1.958 -0.956 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.037 -3.221 -1.864 1.00 0.00 H new ATOM 77 N TYR A 6 3.551 -0.046 -1.771 1.00 0.00 N ATOM 78 CA TYR A 6 4.871 -0.658 -1.720 1.00 0.00 C ATOM 79 C TYR A 6 4.698 -2.116 -1.297 1.00 0.00 C ATOM 80 O TYR A 6 4.008 -2.376 -0.304 1.00 0.00 O ATOM 81 CB TYR A 6 5.779 0.112 -0.749 1.00 0.00 C ATOM 82 CG TYR A 6 6.180 1.501 -1.224 1.00 0.00 C ATOM 83 CD1 TYR A 6 5.305 2.594 -1.069 1.00 0.00 C ATOM 84 CD2 TYR A 6 7.432 1.707 -1.835 1.00 0.00 C ATOM 85 CE1 TYR A 6 5.660 3.871 -1.532 1.00 0.00 C ATOM 86 CE2 TYR A 6 7.804 2.985 -2.288 1.00 0.00 C ATOM 87 CZ TYR A 6 6.910 4.071 -2.150 1.00 0.00 C ATOM 88 OH TYR A 6 7.231 5.304 -2.618 1.00 0.00 O ATOM 0 H TYR A 6 3.366 0.592 -0.997 1.00 0.00 H new ATOM 0 HA TYR A 6 5.351 -0.621 -2.698 1.00 0.00 H new ATOM 0 HB2 TYR A 6 5.269 0.203 0.210 1.00 0.00 H new ATOM 0 HB3 TYR A 6 6.682 -0.473 -0.575 1.00 0.00 H new ATOM 0 HD1 TYR A 6 4.349 2.448 -0.588 1.00 0.00 H new ATOM 0 HD2 TYR A 6 8.112 0.877 -1.957 1.00 0.00 H new ATOM 0 HE1 TYR A 6 4.976 4.698 -1.415 1.00 0.00 H new ATOM 0 HE2 TYR A 6 8.772 3.137 -2.741 1.00 0.00 H new ATOM 0 HH TYR A 6 7.822 5.215 -3.394 1.00 0.00 H new ATOM 98 N THR A 7 5.286 -3.060 -2.038 1.00 0.00 N ATOM 99 CA THR A 7 5.217 -4.497 -1.788 1.00 0.00 C ATOM 100 C THR A 7 6.573 -5.167 -2.078 1.00 0.00 C ATOM 101 O THR A 7 7.499 -4.536 -2.584 1.00 0.00 O ATOM 102 CB THR A 7 4.061 -5.144 -2.597 1.00 0.00 C ATOM 103 OG1 THR A 7 4.298 -5.185 -3.990 1.00 0.00 O ATOM 104 CG2 THR A 7 2.707 -4.454 -2.399 1.00 0.00 C ATOM 0 H THR A 7 5.845 -2.832 -2.860 1.00 0.00 H new ATOM 0 HA THR A 7 4.998 -4.656 -0.732 1.00 0.00 H new ATOM 0 HB THR A 7 4.026 -6.156 -2.193 1.00 0.00 H new ATOM 0 HG1 THR A 7 3.535 -5.605 -4.439 1.00 0.00 H new ATOM 0 HG21 THR A 7 1.949 -4.962 -2.996 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.428 -4.496 -1.346 1.00 0.00 H new ATOM 0 HG23 THR A 7 2.780 -3.413 -2.714 1.00 0.00 H new ATOM 112 N LYS A 8 6.695 -6.465 -1.787 1.00 0.00 N ATOM 113 CA LYS A 8 7.810 -7.326 -2.199 1.00 0.00 C ATOM 114 C LYS A 8 7.157 -8.597 -2.727 1.00 0.00 C ATOM 115 O LYS A 8 5.961 -8.815 -2.521 1.00 0.00 O ATOM 116 CB LYS A 8 8.819 -7.667 -1.061 1.00 0.00 C ATOM 117 CG LYS A 8 8.394 -7.265 0.363 1.00 0.00 C ATOM 118 CD LYS A 8 9.331 -7.698 1.512 1.00 0.00 C ATOM 119 CE LYS A 8 9.111 -9.167 1.912 1.00 0.00 C ATOM 120 NZ LYS A 8 10.076 -9.653 2.923 1.00 0.00 N ATOM 0 H LYS A 8 5.995 -6.964 -1.238 1.00 0.00 H new ATOM 0 HA LYS A 8 8.415 -6.805 -2.941 1.00 0.00 H new ATOM 0 HB2 LYS A 8 9.001 -8.742 -1.074 1.00 0.00 H new ATOM 0 HB3 LYS A 8 9.768 -7.180 -1.286 1.00 0.00 H new ATOM 0 HG2 LYS A 8 8.294 -6.180 0.395 1.00 0.00 H new ATOM 0 HG3 LYS A 8 7.405 -7.682 0.554 1.00 0.00 H new ATOM 0 HD2 LYS A 8 10.368 -7.557 1.207 1.00 0.00 H new ATOM 0 HD3 LYS A 8 9.163 -7.057 2.378 1.00 0.00 H new ATOM 0 HE2 LYS A 8 8.100 -9.282 2.302 1.00 0.00 H new ATOM 0 HE3 LYS A 8 9.183 -9.793 1.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 9.872 -10.648 3.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 11.042 -9.574 2.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 9.993 -9.079 3.786 1.00 0.00 H new ATOM 134 N GLU A 9 7.980 -9.476 -3.285 1.00 0.00 N ATOM 135 CA GLU A 9 7.530 -10.697 -3.956 1.00 0.00 C ATOM 136 C GLU A 9 6.939 -11.712 -2.972 1.00 0.00 C ATOM 137 O GLU A 9 6.137 -12.570 -3.343 1.00 0.00 O ATOM 138 CB GLU A 9 8.720 -11.355 -4.674 1.00 0.00 C ATOM 139 CG GLU A 9 9.506 -10.371 -5.552 1.00 0.00 C ATOM 140 CD GLU A 9 10.502 -11.043 -6.499 1.00 0.00 C ATOM 141 OE1 GLU A 9 10.816 -12.251 -6.378 1.00 0.00 O ATOM 142 OE2 GLU A 9 11.010 -10.330 -7.396 1.00 0.00 O ATOM 0 H GLU A 9 8.994 -9.363 -3.286 1.00 0.00 H new ATOM 0 HA GLU A 9 6.753 -10.410 -4.664 1.00 0.00 H new ATOM 0 HB2 GLU A 9 9.391 -11.788 -3.932 1.00 0.00 H new ATOM 0 HB3 GLU A 9 8.356 -12.175 -5.293 1.00 0.00 H new ATOM 0 HG2 GLU A 9 8.802 -9.782 -6.140 1.00 0.00 H new ATOM 0 HG3 GLU A 9 10.044 -9.675 -4.908 1.00 0.00 H new ATOM 149 N THR A 10 7.288 -11.571 -1.695 1.00 0.00 N ATOM 150 CA THR A 10 7.051 -12.534 -0.641 1.00 0.00 C ATOM 151 C THR A 10 6.487 -11.773 0.554 1.00 0.00 C ATOM 152 O THR A 10 7.187 -11.399 1.498 1.00 0.00 O ATOM 153 CB THR A 10 8.380 -13.281 -0.428 1.00 0.00 C ATOM 154 OG1 THR A 10 8.246 -14.342 0.485 1.00 0.00 O ATOM 155 CG2 THR A 10 9.595 -12.420 -0.039 1.00 0.00 C ATOM 0 H THR A 10 7.768 -10.736 -1.358 1.00 0.00 H new ATOM 0 HA THR A 10 6.308 -13.301 -0.860 1.00 0.00 H new ATOM 0 HB THR A 10 8.601 -13.660 -1.426 1.00 0.00 H new ATOM 0 HG1 THR A 10 9.110 -14.792 0.592 1.00 0.00 H new ATOM 0 HG21 THR A 10 10.470 -13.059 0.083 1.00 0.00 H new ATOM 0 HG22 THR A 10 9.787 -11.687 -0.822 1.00 0.00 H new ATOM 0 HG23 THR A 10 9.390 -11.904 0.899 1.00 0.00 H new ATOM 163 N CYS A 11 5.205 -11.448 0.465 1.00 0.00 N ATOM 164 CA CYS A 11 4.519 -10.551 1.364 1.00 0.00 C ATOM 165 C CYS A 11 3.051 -10.971 1.433 1.00 0.00 C ATOM 166 O CYS A 11 2.226 -10.422 0.696 1.00 0.00 O ATOM 167 CB CYS A 11 4.703 -9.131 0.837 1.00 0.00 C ATOM 168 SG CYS A 11 3.981 -7.862 1.895 1.00 0.00 S ATOM 0 H CYS A 11 4.598 -11.820 -0.265 1.00 0.00 H new ATOM 0 HA CYS A 11 4.919 -10.589 2.377 1.00 0.00 H new ATOM 0 HB2 CYS A 11 5.768 -8.932 0.722 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.256 -9.061 -0.155 1.00 0.00 H new ATOM 173 N PRO A 12 2.681 -11.904 2.327 1.00 0.00 N ATOM 174 CA PRO A 12 1.302 -12.353 2.435 1.00 0.00 C ATOM 175 C PRO A 12 0.366 -11.197 2.787 1.00 0.00 C ATOM 176 O PRO A 12 -0.749 -11.183 2.277 1.00 0.00 O ATOM 177 CB PRO A 12 1.294 -13.485 3.464 1.00 0.00 C ATOM 178 CG PRO A 12 2.550 -13.219 4.287 1.00 0.00 C ATOM 179 CD PRO A 12 3.522 -12.611 3.279 1.00 0.00 C ATOM 0 HA PRO A 12 0.922 -12.726 1.484 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.396 -13.461 4.081 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.326 -14.464 2.986 1.00 0.00 H new ATOM 0 HG2 PRO A 12 2.350 -12.536 5.113 1.00 0.00 H new ATOM 0 HG3 PRO A 12 2.946 -14.137 4.721 1.00 0.00 H new ATOM 0 HD2 PRO A 12 4.223 -11.933 3.766 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.114 -13.382 2.786 1.00 0.00 H new ATOM 187 N TYR A 13 0.800 -10.172 3.532 1.00 0.00 N ATOM 188 CA TYR A 13 -0.061 -9.026 3.821 1.00 0.00 C ATOM 189 C TYR A 13 -0.224 -8.144 2.584 1.00 0.00 C ATOM 190 O TYR A 13 -1.316 -7.630 2.355 1.00 0.00 O ATOM 191 CB TYR A 13 0.541 -8.166 4.933 1.00 0.00 C ATOM 192 CG TYR A 13 0.506 -8.766 6.319 1.00 0.00 C ATOM 193 CD1 TYR A 13 -0.703 -8.819 7.039 1.00 0.00 C ATOM 194 CD2 TYR A 13 1.701 -9.194 6.924 1.00 0.00 C ATOM 195 CE1 TYR A 13 -0.707 -9.246 8.378 1.00 0.00 C ATOM 196 CE2 TYR A 13 1.703 -9.631 8.256 1.00 0.00 C ATOM 197 CZ TYR A 13 0.502 -9.644 8.994 1.00 0.00 C ATOM 198 OH TYR A 13 0.547 -9.986 10.308 1.00 0.00 O ATOM 0 H TYR A 13 1.733 -10.116 3.940 1.00 0.00 H new ATOM 0 HA TYR A 13 -1.029 -9.419 4.131 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.578 -7.949 4.678 1.00 0.00 H new ATOM 0 HB3 TYR A 13 0.012 -7.213 4.956 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -1.628 -8.531 6.562 1.00 0.00 H new ATOM 0 HD2 TYR A 13 2.622 -9.186 6.360 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -1.632 -9.270 8.935 1.00 0.00 H new ATOM 0 HE2 TYR A 13 2.624 -9.957 8.716 1.00 0.00 H new ATOM 0 HH TYR A 13 1.464 -10.232 10.551 1.00 0.00 H new ATOM 208 N CYS A 14 0.816 -7.981 1.762 1.00 0.00 N ATOM 209 CA CYS A 14 0.683 -7.297 0.481 1.00 0.00 C ATOM 210 C CYS A 14 -0.364 -8.019 -0.351 1.00 0.00 C ATOM 211 O CYS A 14 -1.270 -7.373 -0.872 1.00 0.00 O ATOM 212 CB CYS A 14 1.998 -7.254 -0.291 1.00 0.00 C ATOM 213 SG CYS A 14 3.398 -6.478 0.544 1.00 0.00 S ATOM 0 H CYS A 14 1.758 -8.315 1.964 1.00 0.00 H new ATOM 0 HA CYS A 14 0.386 -6.267 0.678 1.00 0.00 H new ATOM 0 HB2 CYS A 14 2.277 -8.276 -0.546 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.826 -6.727 -1.229 1.00 0.00 H new ATOM 218 N HIS A 15 -0.281 -9.350 -0.408 1.00 0.00 N ATOM 219 CA HIS A 15 -1.275 -10.142 -1.097 1.00 0.00 C ATOM 220 C HIS A 15 -2.666 -9.938 -0.483 1.00 0.00 C ATOM 221 O HIS A 15 -3.596 -9.733 -1.252 1.00 0.00 O ATOM 222 CB HIS A 15 -0.839 -11.611 -1.187 1.00 0.00 C ATOM 223 CG HIS A 15 -1.885 -12.457 -1.859 1.00 0.00 C ATOM 224 ND1 HIS A 15 -2.630 -12.090 -2.962 1.00 0.00 N ATOM 225 CD2 HIS A 15 -2.397 -13.620 -1.367 1.00 0.00 C ATOM 226 CE1 HIS A 15 -3.613 -12.992 -3.107 1.00 0.00 C ATOM 227 NE2 HIS A 15 -3.486 -13.939 -2.157 1.00 0.00 N ATOM 0 H HIS A 15 0.470 -9.893 0.019 1.00 0.00 H new ATOM 0 HA HIS A 15 -1.357 -9.794 -2.127 1.00 0.00 H new ATOM 0 HB2 HIS A 15 0.097 -11.680 -1.741 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -0.646 -11.996 -0.186 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -2.025 -14.183 -0.524 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -4.383 -12.963 -3.864 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -4.090 -14.753 -2.040 1.00 0.00 H new ATOM 236 N ARG A 16 -2.842 -9.919 0.848 1.00 0.00 N ATOM 237 CA ARG A 16 -4.147 -9.667 1.472 1.00 0.00 C ATOM 238 C ARG A 16 -4.745 -8.351 0.973 1.00 0.00 C ATOM 239 O ARG A 16 -5.885 -8.314 0.518 1.00 0.00 O ATOM 240 CB ARG A 16 -4.063 -9.654 3.016 1.00 0.00 C ATOM 241 CG ARG A 16 -3.782 -11.000 3.692 1.00 0.00 C ATOM 242 CD ARG A 16 -3.985 -10.950 5.213 1.00 0.00 C ATOM 243 NE ARG A 16 -3.501 -12.191 5.829 1.00 0.00 N ATOM 244 CZ ARG A 16 -3.160 -12.410 7.102 1.00 0.00 C ATOM 245 NH1 ARG A 16 -3.346 -11.500 8.057 1.00 0.00 N ATOM 246 NH2 ARG A 16 -2.610 -13.575 7.403 1.00 0.00 N ATOM 0 H ARG A 16 -2.088 -10.077 1.516 1.00 0.00 H new ATOM 0 HA ARG A 16 -4.799 -10.490 1.180 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -3.281 -8.954 3.310 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -5.003 -9.265 3.407 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -4.437 -11.760 3.266 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -2.758 -11.304 3.476 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.452 -10.096 5.631 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -5.041 -10.809 5.442 1.00 0.00 H new ATOM 0 HE ARG A 16 -3.413 -12.991 5.203 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -3.762 -10.598 7.827 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -3.072 -11.706 9.018 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -2.459 -14.271 6.673 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -2.337 -13.777 8.365 1.00 0.00 H new ATOM 260 N ALA A 17 -3.974 -7.267 1.046 1.00 0.00 N ATOM 261 CA ALA A 17 -4.389 -5.943 0.603 1.00 0.00 C ATOM 262 C ALA A 17 -4.727 -5.969 -0.887 1.00 0.00 C ATOM 263 O ALA A 17 -5.823 -5.577 -1.279 1.00 0.00 O ATOM 264 CB ALA A 17 -3.204 -4.992 0.844 1.00 0.00 C ATOM 0 H ALA A 17 -3.026 -7.288 1.422 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.274 -5.616 1.149 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.474 -3.986 0.524 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.956 -4.981 1.905 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -2.341 -5.334 0.273 1.00 0.00 H new ATOM 270 N LYS A 18 -3.788 -6.404 -1.731 1.00 0.00 N ATOM 271 CA LYS A 18 -3.959 -6.393 -3.179 1.00 0.00 C ATOM 272 C LYS A 18 -5.100 -7.303 -3.607 1.00 0.00 C ATOM 273 O LYS A 18 -5.753 -6.982 -4.598 1.00 0.00 O ATOM 274 CB LYS A 18 -2.645 -6.766 -3.886 1.00 0.00 C ATOM 275 CG LYS A 18 -1.659 -5.587 -3.822 1.00 0.00 C ATOM 276 CD LYS A 18 -0.292 -5.839 -4.473 1.00 0.00 C ATOM 277 CE LYS A 18 -0.376 -6.462 -5.871 1.00 0.00 C ATOM 278 NZ LYS A 18 0.891 -6.337 -6.621 1.00 0.00 N ATOM 0 H LYS A 18 -2.888 -6.774 -1.425 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.224 -5.379 -3.480 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.205 -7.644 -3.414 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.844 -7.029 -4.925 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.119 -4.724 -4.303 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.502 -5.323 -2.776 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.248 -4.894 -4.539 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.291 -6.496 -3.828 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.639 -7.516 -5.781 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.176 -5.981 -6.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.784 -6.773 -7.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.131 -5.331 -6.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.652 -6.819 -6.100 1.00 0.00 H new ATOM 292 N ALA A 19 -5.389 -8.378 -2.873 1.00 0.00 N ATOM 293 CA ALA A 19 -6.549 -9.211 -3.117 1.00 0.00 C ATOM 294 C ALA A 19 -7.814 -8.389 -2.892 1.00 0.00 C ATOM 295 O ALA A 19 -8.689 -8.402 -3.748 1.00 0.00 O ATOM 296 CB ALA A 19 -6.516 -10.453 -2.220 1.00 0.00 C ATOM 0 H ALA A 19 -4.816 -8.691 -2.089 1.00 0.00 H new ATOM 0 HA ALA A 19 -6.541 -9.559 -4.150 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.395 -11.067 -2.417 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.615 -11.030 -2.430 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.514 -10.146 -1.174 1.00 0.00 H new ATOM 302 N LEU A 20 -7.905 -7.622 -1.799 1.00 0.00 N ATOM 303 CA LEU A 20 -9.090 -6.809 -1.525 1.00 0.00 C ATOM 304 C LEU A 20 -9.244 -5.723 -2.590 1.00 0.00 C ATOM 305 O LEU A 20 -10.348 -5.482 -3.068 1.00 0.00 O ATOM 306 CB LEU A 20 -9.047 -6.239 -0.096 1.00 0.00 C ATOM 307 CG LEU A 20 -10.220 -5.269 0.192 1.00 0.00 C ATOM 308 CD1 LEU A 20 -10.796 -5.497 1.586 1.00 0.00 C ATOM 309 CD2 LEU A 20 -9.755 -3.812 0.145 1.00 0.00 C ATOM 0 H LEU A 20 -7.173 -7.549 -1.093 1.00 0.00 H new ATOM 0 HA LEU A 20 -9.977 -7.441 -1.579 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -9.075 -7.060 0.620 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -8.102 -5.716 0.055 1.00 0.00 H new ATOM 0 HG LEU A 20 -10.971 -5.463 -0.574 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -11.617 -4.801 1.759 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -11.164 -6.520 1.665 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -10.019 -5.333 2.332 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -10.599 -3.154 0.351 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -8.980 -3.653 0.895 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -9.354 -3.590 -0.844 1.00 0.00 H new ATOM 321 N LEU A 21 -8.150 -5.092 -3.017 1.00 0.00 N ATOM 322 CA LEU A 21 -8.204 -4.108 -4.091 1.00 0.00 C ATOM 323 C LEU A 21 -8.655 -4.750 -5.402 1.00 0.00 C ATOM 324 O LEU A 21 -9.459 -4.166 -6.126 1.00 0.00 O ATOM 325 CB LEU A 21 -6.833 -3.446 -4.273 1.00 0.00 C ATOM 326 CG LEU A 21 -6.332 -2.621 -3.076 1.00 0.00 C ATOM 327 CD1 LEU A 21 -4.995 -1.995 -3.463 1.00 0.00 C ATOM 328 CD2 LEU A 21 -7.284 -1.501 -2.651 1.00 0.00 C ATOM 0 H LEU A 21 -7.217 -5.247 -2.634 1.00 0.00 H new ATOM 0 HA LEU A 21 -8.934 -3.347 -3.816 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.100 -4.223 -4.489 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -6.876 -2.796 -5.147 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.251 -3.302 -2.228 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.616 -1.403 -2.630 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.281 -2.782 -3.703 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.132 -1.352 -4.332 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.860 -0.966 -1.801 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.426 -0.809 -3.481 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.245 -1.929 -2.367 1.00 0.00 H new ATOM 340 N SER A 22 -8.181 -5.956 -5.705 1.00 0.00 N ATOM 341 CA SER A 22 -8.603 -6.698 -6.885 1.00 0.00 C ATOM 342 C SER A 22 -10.070 -7.127 -6.759 1.00 0.00 C ATOM 343 O SER A 22 -10.770 -7.181 -7.765 1.00 0.00 O ATOM 344 CB SER A 22 -7.689 -7.907 -7.094 1.00 0.00 C ATOM 345 OG SER A 22 -6.328 -7.504 -7.116 1.00 0.00 O ATOM 0 H SER A 22 -7.491 -6.446 -5.135 1.00 0.00 H new ATOM 0 HA SER A 22 -8.523 -6.050 -7.758 1.00 0.00 H new ATOM 0 HB2 SER A 22 -7.847 -8.632 -6.295 1.00 0.00 H new ATOM 0 HB3 SER A 22 -7.942 -8.404 -8.030 1.00 0.00 H new ATOM 0 HG SER A 22 -5.928 -7.656 -6.234 1.00 0.00 H new ATOM 351 N SER A 23 -10.568 -7.370 -5.547 1.00 0.00 N ATOM 352 CA SER A 23 -11.970 -7.655 -5.287 1.00 0.00 C ATOM 353 C SER A 23 -12.829 -6.410 -5.468 1.00 0.00 C ATOM 354 O SER A 23 -13.947 -6.517 -5.965 1.00 0.00 O ATOM 355 CB SER A 23 -12.131 -8.182 -3.867 1.00 0.00 C ATOM 356 OG SER A 23 -11.552 -9.462 -3.759 1.00 0.00 O ATOM 0 H SER A 23 -9.993 -7.373 -4.705 1.00 0.00 H new ATOM 0 HA SER A 23 -12.302 -8.407 -6.002 1.00 0.00 H new ATOM 0 HB2 SER A 23 -11.658 -7.499 -3.161 1.00 0.00 H new ATOM 0 HB3 SER A 23 -13.188 -8.229 -3.605 1.00 0.00 H new ATOM 0 HG SER A 23 -10.576 -9.379 -3.737 1.00 0.00 H new ATOM 362 N LYS A 24 -12.312 -5.225 -5.135 1.00 0.00 N ATOM 363 CA LYS A 24 -12.966 -3.974 -5.473 1.00 0.00 C ATOM 364 C LYS A 24 -12.803 -3.700 -6.981 1.00 0.00 C ATOM 365 O LYS A 24 -13.572 -2.922 -7.540 1.00 0.00 O ATOM 366 CB LYS A 24 -12.348 -2.866 -4.608 1.00 0.00 C ATOM 367 CG LYS A 24 -12.619 -2.941 -3.093 1.00 0.00 C ATOM 368 CD LYS A 24 -13.991 -2.390 -2.671 1.00 0.00 C ATOM 369 CE LYS A 24 -14.013 -2.247 -1.141 1.00 0.00 C ATOM 370 NZ LYS A 24 -15.209 -1.544 -0.635 1.00 0.00 N ATOM 0 H LYS A 24 -11.434 -5.113 -4.627 1.00 0.00 H new ATOM 0 HA LYS A 24 -14.036 -4.016 -5.270 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.269 -2.876 -4.762 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.713 -1.906 -4.972 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -12.543 -3.980 -2.772 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -11.840 -2.388 -2.568 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -14.173 -1.425 -3.144 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -14.785 -3.060 -3.000 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -13.965 -3.238 -0.690 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -13.121 -1.708 -0.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -15.020 -1.182 0.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -15.438 -0.750 -1.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -16.012 -2.204 -0.603 1.00 0.00 H new ATOM 384 N GLY A 25 -11.855 -4.355 -7.657 1.00 0.00 N ATOM 385 CA GLY A 25 -11.655 -4.288 -9.099 1.00 0.00 C ATOM 386 C GLY A 25 -10.945 -3.003 -9.512 1.00 0.00 C ATOM 387 O GLY A 25 -11.091 -2.561 -10.654 1.00 0.00 O ATOM 0 H GLY A 25 -11.184 -4.968 -7.194 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -11.070 -5.148 -9.425 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -12.619 -4.349 -9.603 1.00 0.00 H new ATOM 391 N VAL A 26 -10.205 -2.376 -8.601 1.00 0.00 N ATOM 392 CA VAL A 26 -9.666 -1.029 -8.774 1.00 0.00 C ATOM 393 C VAL A 26 -8.285 -1.025 -9.420 1.00 0.00 C ATOM 394 O VAL A 26 -7.535 -1.998 -9.300 1.00 0.00 O ATOM 395 CB VAL A 26 -9.558 -0.344 -7.395 1.00 0.00 C ATOM 396 CG1 VAL A 26 -10.903 -0.353 -6.661 1.00 0.00 C ATOM 397 CG2 VAL A 26 -8.431 -0.931 -6.531 1.00 0.00 C ATOM 0 H VAL A 26 -9.958 -2.797 -7.705 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.348 -0.494 -9.435 1.00 0.00 H new ATOM 0 HB VAL A 26 -9.290 0.696 -7.580 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -10.793 0.137 -5.693 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -11.645 0.180 -7.255 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -11.229 -1.382 -6.512 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.400 -0.413 -5.573 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.616 -1.992 -6.364 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.477 -0.805 -7.043 1.00 0.00 H new ATOM 407 N SER A 27 -7.932 0.102 -10.033 1.00 0.00 N ATOM 408 CA SER A 27 -6.584 0.373 -10.476 1.00 0.00 C ATOM 409 C SER A 27 -5.891 0.949 -9.240 1.00 0.00 C ATOM 410 O SER A 27 -6.456 1.773 -8.517 1.00 0.00 O ATOM 411 CB SER A 27 -6.575 1.374 -11.636 1.00 0.00 C ATOM 412 OG SER A 27 -7.336 0.878 -12.724 1.00 0.00 O ATOM 0 H SER A 27 -8.588 0.856 -10.234 1.00 0.00 H new ATOM 0 HA SER A 27 -6.082 -0.518 -10.854 1.00 0.00 H new ATOM 0 HB2 SER A 27 -6.983 2.329 -11.304 1.00 0.00 H new ATOM 0 HB3 SER A 27 -5.550 1.560 -11.956 1.00 0.00 H new ATOM 0 HG SER A 27 -7.322 1.529 -13.456 1.00 0.00 H new ATOM 418 N PHE A 28 -4.674 0.500 -8.986 1.00 0.00 N ATOM 419 CA PHE A 28 -3.757 1.009 -7.977 1.00 0.00 C ATOM 420 C PHE A 28 -2.347 0.844 -8.564 1.00 0.00 C ATOM 421 O PHE A 28 -2.178 0.076 -9.517 1.00 0.00 O ATOM 422 CB PHE A 28 -3.918 0.236 -6.666 1.00 0.00 C ATOM 423 CG PHE A 28 -3.736 -1.273 -6.765 1.00 0.00 C ATOM 424 CD1 PHE A 28 -4.825 -2.106 -7.091 1.00 0.00 C ATOM 425 CD2 PHE A 28 -2.478 -1.850 -6.525 1.00 0.00 C ATOM 426 CE1 PHE A 28 -4.672 -3.502 -7.148 1.00 0.00 C ATOM 427 CE2 PHE A 28 -2.318 -3.244 -6.596 1.00 0.00 C ATOM 428 CZ PHE A 28 -3.413 -4.074 -6.902 1.00 0.00 C ATOM 0 H PHE A 28 -4.274 -0.278 -9.511 1.00 0.00 H new ATOM 0 HA PHE A 28 -3.955 2.054 -7.739 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.198 0.624 -5.945 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.911 0.439 -6.265 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -5.789 -1.666 -7.300 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.633 -1.221 -6.286 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -5.518 -4.132 -7.380 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -1.348 -3.682 -6.414 1.00 0.00 H new ATOM 0 HZ PHE A 28 -3.286 -5.146 -6.947 1.00 0.00 H new ATOM 438 N GLN A 29 -1.324 1.478 -7.993 1.00 0.00 N ATOM 439 CA GLN A 29 0.061 1.361 -8.468 1.00 0.00 C ATOM 440 C GLN A 29 0.815 0.508 -7.464 1.00 0.00 C ATOM 441 O GLN A 29 0.618 0.658 -6.261 1.00 0.00 O ATOM 442 CB GLN A 29 0.696 2.751 -8.663 1.00 0.00 C ATOM 443 CG GLN A 29 2.237 2.827 -8.614 1.00 0.00 C ATOM 444 CD GLN A 29 2.743 3.988 -9.472 1.00 0.00 C ATOM 445 OE1 GLN A 29 2.846 3.842 -10.687 1.00 0.00 O ATOM 446 NE2 GLN A 29 3.072 5.147 -8.929 1.00 0.00 N ATOM 0 H GLN A 29 -1.429 2.091 -7.184 1.00 0.00 H new ATOM 0 HA GLN A 29 0.100 0.882 -9.446 1.00 0.00 H new ATOM 0 HB2 GLN A 29 0.367 3.142 -9.626 1.00 0.00 H new ATOM 0 HB3 GLN A 29 0.299 3.416 -7.896 1.00 0.00 H new ATOM 0 HG2 GLN A 29 2.568 2.957 -7.584 1.00 0.00 H new ATOM 0 HG3 GLN A 29 2.665 1.890 -8.970 1.00 0.00 H new ATOM 0 HE21 GLN A 29 2.990 5.279 -7.921 1.00 0.00 H new ATOM 0 HE22 GLN A 29 3.408 5.909 -9.518 1.00 0.00 H new ATOM 455 N GLU A 30 1.687 -0.372 -7.944 1.00 0.00 N ATOM 456 CA GLU A 30 2.536 -1.209 -7.114 1.00 0.00 C ATOM 457 C GLU A 30 3.933 -0.613 -7.154 1.00 0.00 C ATOM 458 O GLU A 30 4.359 -0.107 -8.196 1.00 0.00 O ATOM 459 CB GLU A 30 2.531 -2.662 -7.622 1.00 0.00 C ATOM 460 CG GLU A 30 3.170 -2.828 -9.014 1.00 0.00 C ATOM 461 CD GLU A 30 3.062 -4.256 -9.530 1.00 0.00 C ATOM 462 OE1 GLU A 30 1.935 -4.738 -9.790 1.00 0.00 O ATOM 463 OE2 GLU A 30 4.093 -4.951 -9.641 1.00 0.00 O ATOM 0 H GLU A 30 1.824 -0.524 -8.943 1.00 0.00 H new ATOM 0 HA GLU A 30 2.169 -1.236 -6.088 1.00 0.00 H new ATOM 0 HB2 GLU A 30 3.065 -3.290 -6.909 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.503 -3.023 -7.657 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.685 -2.152 -9.718 1.00 0.00 H new ATOM 0 HG3 GLU A 30 4.220 -2.539 -8.967 1.00 0.00 H new ATOM 470 N LEU A 31 4.657 -0.699 -6.044 1.00 0.00 N ATOM 471 CA LEU A 31 6.041 -0.260 -5.954 1.00 0.00 C ATOM 472 C LEU A 31 6.852 -1.409 -5.370 1.00 0.00 C ATOM 473 O LEU A 31 6.550 -1.841 -4.258 1.00 0.00 O ATOM 474 CB LEU A 31 6.152 1.014 -5.117 1.00 0.00 C ATOM 475 CG LEU A 31 5.388 2.165 -5.795 1.00 0.00 C ATOM 476 CD1 LEU A 31 4.140 2.546 -5.010 1.00 0.00 C ATOM 477 CD2 LEU A 31 6.300 3.357 -5.997 1.00 0.00 C ATOM 0 H LEU A 31 4.293 -1.081 -5.171 1.00 0.00 H new ATOM 0 HA LEU A 31 6.433 -0.008 -6.939 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.749 0.838 -4.120 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.200 1.287 -4.994 1.00 0.00 H new ATOM 0 HG LEU A 31 5.056 1.821 -6.774 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.626 3.362 -5.518 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.476 1.684 -4.942 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.424 2.865 -4.007 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.745 4.163 -6.478 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.672 3.699 -5.031 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.141 3.069 -6.628 1.00 0.00 H new ATOM 489 N PRO A 32 7.838 -1.955 -6.090 1.00 0.00 N ATOM 490 CA PRO A 32 8.627 -3.058 -5.578 1.00 0.00 C ATOM 491 C PRO A 32 9.558 -2.538 -4.488 1.00 0.00 C ATOM 492 O PRO A 32 10.018 -1.396 -4.553 1.00 0.00 O ATOM 493 CB PRO A 32 9.416 -3.570 -6.781 1.00 0.00 C ATOM 494 CG PRO A 32 9.598 -2.329 -7.658 1.00 0.00 C ATOM 495 CD PRO A 32 8.362 -1.479 -7.359 1.00 0.00 C ATOM 0 HA PRO A 32 8.024 -3.851 -5.137 1.00 0.00 H new ATOM 0 HB2 PRO A 32 10.376 -3.990 -6.480 1.00 0.00 H new ATOM 0 HB3 PRO A 32 8.875 -4.356 -7.308 1.00 0.00 H new ATOM 0 HG2 PRO A 32 10.517 -1.797 -7.411 1.00 0.00 H new ATOM 0 HG3 PRO A 32 9.656 -2.592 -8.714 1.00 0.00 H new ATOM 0 HD2 PRO A 32 8.622 -0.422 -7.301 1.00 0.00 H new ATOM 0 HD3 PRO A 32 7.619 -1.582 -8.150 1.00 0.00 H new ATOM 503 N ILE A 33 9.920 -3.395 -3.537 1.00 0.00 N ATOM 504 CA ILE A 33 10.951 -3.155 -2.524 1.00 0.00 C ATOM 505 C ILE A 33 11.800 -4.416 -2.330 1.00 0.00 C ATOM 506 O ILE A 33 12.338 -4.648 -1.245 1.00 0.00 O ATOM 507 CB ILE A 33 10.345 -2.612 -1.210 1.00 0.00 C ATOM 508 CG1 ILE A 33 9.524 -3.660 -0.425 1.00 0.00 C ATOM 509 CG2 ILE A 33 9.521 -1.343 -1.492 1.00 0.00 C ATOM 510 CD1 ILE A 33 10.056 -3.910 0.996 1.00 0.00 C ATOM 0 H ILE A 33 9.487 -4.314 -3.445 1.00 0.00 H new ATOM 0 HA ILE A 33 11.620 -2.370 -2.877 1.00 0.00 H new ATOM 0 HB ILE A 33 11.181 -2.358 -0.559 1.00 0.00 H new ATOM 0 HG12 ILE A 33 8.488 -3.328 -0.364 1.00 0.00 H new ATOM 0 HG13 ILE A 33 9.526 -4.600 -0.977 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.099 -0.969 -0.559 1.00 0.00 H new ATOM 0 HG22 ILE A 33 10.165 -0.581 -1.930 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.715 -1.580 -2.186 1.00 0.00 H new ATOM 0 HD11 ILE A 33 9.434 -4.656 1.491 1.00 0.00 H new ATOM 0 HD12 ILE A 33 11.083 -4.272 0.942 1.00 0.00 H new ATOM 0 HD13 ILE A 33 10.029 -2.980 1.564 1.00 0.00 H new ATOM 575 N LYS A 39 14.577 2.446 -3.445 1.00 0.00 N ATOM 576 CA LYS A 39 13.180 2.546 -3.032 1.00 0.00 C ATOM 577 C LYS A 39 13.019 2.247 -1.545 1.00 0.00 C ATOM 578 O LYS A 39 12.068 2.710 -0.924 1.00 0.00 O ATOM 579 CB LYS A 39 12.298 1.637 -3.887 1.00 0.00 C ATOM 580 CG LYS A 39 12.348 2.060 -5.371 1.00 0.00 C ATOM 581 CD LYS A 39 11.016 1.831 -6.097 1.00 0.00 C ATOM 582 CE LYS A 39 9.978 2.856 -5.622 1.00 0.00 C ATOM 583 NZ LYS A 39 10.124 4.184 -6.259 1.00 0.00 N ATOM 0 HA LYS A 39 12.852 3.573 -3.190 1.00 0.00 H new ATOM 0 HB2 LYS A 39 12.630 0.603 -3.788 1.00 0.00 H new ATOM 0 HB3 LYS A 39 11.270 1.678 -3.527 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.615 3.115 -5.435 1.00 0.00 H new ATOM 0 HG3 LYS A 39 13.134 1.500 -5.878 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.159 1.918 -7.174 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.656 0.820 -5.904 1.00 0.00 H new ATOM 0 HE2 LYS A 39 8.979 2.471 -5.827 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.060 2.970 -4.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 9.690 4.909 -5.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.134 4.399 -6.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 9.651 4.179 -7.185 1.00 0.00 H new ATOM 597 N ARG A 40 13.954 1.504 -0.959 1.00 0.00 N ATOM 598 CA ARG A 40 14.053 1.323 0.483 1.00 0.00 C ATOM 599 C ARG A 40 14.232 2.678 1.163 1.00 0.00 C ATOM 600 O ARG A 40 13.450 2.983 2.055 1.00 0.00 O ATOM 601 CB ARG A 40 15.181 0.332 0.783 1.00 0.00 C ATOM 602 CG ARG A 40 15.265 -0.190 2.222 1.00 0.00 C ATOM 603 CD ARG A 40 16.244 -1.373 2.208 1.00 0.00 C ATOM 604 NE ARG A 40 16.811 -1.694 3.521 1.00 0.00 N ATOM 605 CZ ARG A 40 16.469 -2.706 4.323 1.00 0.00 C ATOM 606 NH1 ARG A 40 15.284 -3.297 4.231 1.00 0.00 N ATOM 607 NH2 ARG A 40 17.350 -3.134 5.215 1.00 0.00 N ATOM 0 H ARG A 40 14.674 1.004 -1.482 1.00 0.00 H new ATOM 0 HA ARG A 40 13.136 0.897 0.890 1.00 0.00 H new ATOM 0 HB2 ARG A 40 15.071 -0.523 0.115 1.00 0.00 H new ATOM 0 HB3 ARG A 40 16.130 0.809 0.537 1.00 0.00 H new ATOM 0 HG2 ARG A 40 15.613 0.592 2.897 1.00 0.00 H new ATOM 0 HG3 ARG A 40 14.284 -0.504 2.577 1.00 0.00 H new ATOM 0 HD2 ARG A 40 15.729 -2.253 1.821 1.00 0.00 H new ATOM 0 HD3 ARG A 40 17.057 -1.150 1.517 1.00 0.00 H new ATOM 0 HE ARG A 40 17.548 -1.076 3.860 1.00 0.00 H new ATOM 0 HH11 ARG A 40 14.609 -2.980 3.535 1.00 0.00 H new ATOM 0 HH12 ARG A 40 15.049 -4.068 4.856 1.00 0.00 H new ATOM 0 HH21 ARG A 40 18.267 -2.692 5.279 1.00 0.00 H new ATOM 0 HH22 ARG A 40 17.111 -3.905 5.838 1.00 0.00 H new ATOM 621 N GLU A 41 15.214 3.496 0.763 1.00 0.00 N ATOM 622 CA GLU A 41 15.364 4.818 1.384 1.00 0.00 C ATOM 623 C GLU A 41 14.246 5.785 0.978 1.00 0.00 C ATOM 624 O GLU A 41 13.880 6.649 1.776 1.00 0.00 O ATOM 625 CB GLU A 41 16.753 5.447 1.192 1.00 0.00 C ATOM 626 CG GLU A 41 17.104 5.914 -0.230 1.00 0.00 C ATOM 627 CD GLU A 41 18.154 7.025 -0.187 1.00 0.00 C ATOM 628 OE1 GLU A 41 19.376 6.738 -0.139 1.00 0.00 O ATOM 629 OE2 GLU A 41 17.775 8.216 -0.157 1.00 0.00 O ATOM 0 H GLU A 41 15.896 3.277 0.037 1.00 0.00 H new ATOM 0 HA GLU A 41 15.269 4.634 2.454 1.00 0.00 H new ATOM 0 HB2 GLU A 41 16.836 6.303 1.862 1.00 0.00 H new ATOM 0 HB3 GLU A 41 17.503 4.721 1.508 1.00 0.00 H new ATOM 0 HG2 GLU A 41 17.480 5.073 -0.812 1.00 0.00 H new ATOM 0 HG3 GLU A 41 16.206 6.274 -0.733 1.00 0.00 H new ATOM 636 N GLU A 42 13.650 5.626 -0.208 1.00 0.00 N ATOM 637 CA GLU A 42 12.439 6.359 -0.566 1.00 0.00 C ATOM 638 C GLU A 42 11.354 6.058 0.466 1.00 0.00 C ATOM 639 O GLU A 42 10.651 6.965 0.894 1.00 0.00 O ATOM 640 CB GLU A 42 11.973 6.002 -1.983 1.00 0.00 C ATOM 641 CG GLU A 42 10.725 6.785 -2.415 1.00 0.00 C ATOM 642 CD GLU A 42 10.246 6.309 -3.784 1.00 0.00 C ATOM 643 OE1 GLU A 42 9.510 5.303 -3.850 1.00 0.00 O ATOM 644 OE2 GLU A 42 10.617 6.900 -4.821 1.00 0.00 O ATOM 0 H GLU A 42 13.989 4.995 -0.934 1.00 0.00 H new ATOM 0 HA GLU A 42 12.651 7.428 -0.563 1.00 0.00 H new ATOM 0 HB2 GLU A 42 12.782 6.199 -2.687 1.00 0.00 H new ATOM 0 HB3 GLU A 42 11.761 4.934 -2.032 1.00 0.00 H new ATOM 0 HG2 GLU A 42 9.932 6.653 -1.679 1.00 0.00 H new ATOM 0 HG3 GLU A 42 10.951 7.851 -2.452 1.00 0.00 H new ATOM 651 N MET A 43 11.245 4.814 0.933 1.00 0.00 N ATOM 652 CA MET A 43 10.241 4.411 1.896 1.00 0.00 C ATOM 653 C MET A 43 10.460 5.109 3.242 1.00 0.00 C ATOM 654 O MET A 43 9.500 5.324 3.987 1.00 0.00 O ATOM 655 CB MET A 43 10.279 2.889 2.081 1.00 0.00 C ATOM 656 CG MET A 43 8.897 2.243 2.035 1.00 0.00 C ATOM 657 SD MET A 43 8.894 0.434 2.193 1.00 0.00 S ATOM 658 CE MET A 43 10.425 -0.029 1.336 1.00 0.00 C ATOM 0 H MET A 43 11.862 4.055 0.645 1.00 0.00 H new ATOM 0 HA MET A 43 9.263 4.705 1.516 1.00 0.00 H new ATOM 0 HB2 MET A 43 10.904 2.450 1.303 1.00 0.00 H new ATOM 0 HB3 MET A 43 10.750 2.657 3.036 1.00 0.00 H new ATOM 0 HG2 MET A 43 8.288 2.664 2.835 1.00 0.00 H new ATOM 0 HG3 MET A 43 8.417 2.512 1.094 1.00 0.00 H new ATOM 0 HE1 MET A 43 10.431 -1.104 1.157 1.00 0.00 H new ATOM 0 HE2 MET A 43 10.482 0.498 0.384 1.00 0.00 H new ATOM 0 HE3 MET A 43 11.283 0.241 1.952 1.00 0.00 H new ATOM 668 N ILE A 44 11.702 5.500 3.534 1.00 0.00 N ATOM 669 CA ILE A 44 12.070 6.268 4.719 1.00 0.00 C ATOM 670 C ILE A 44 11.599 7.704 4.499 1.00 0.00 C ATOM 671 O ILE A 44 10.934 8.251 5.378 1.00 0.00 O ATOM 672 CB ILE A 44 13.581 6.164 5.059 1.00 0.00 C ATOM 673 CG1 ILE A 44 14.014 4.690 5.240 1.00 0.00 C ATOM 674 CG2 ILE A 44 13.895 6.951 6.348 1.00 0.00 C ATOM 675 CD1 ILE A 44 15.524 4.484 5.425 1.00 0.00 C ATOM 0 H ILE A 44 12.499 5.284 2.935 1.00 0.00 H new ATOM 0 HA ILE A 44 11.577 5.854 5.599 1.00 0.00 H new ATOM 0 HB ILE A 44 14.138 6.591 4.225 1.00 0.00 H new ATOM 0 HG12 ILE A 44 13.496 4.277 6.105 1.00 0.00 H new ATOM 0 HG13 ILE A 44 13.687 4.120 4.370 1.00 0.00 H new ATOM 0 HG21 ILE A 44 14.958 6.869 6.574 1.00 0.00 H new ATOM 0 HG22 ILE A 44 13.634 8.000 6.207 1.00 0.00 H new ATOM 0 HG23 ILE A 44 13.315 6.541 7.175 1.00 0.00 H new ATOM 0 HD11 ILE A 44 15.734 3.421 5.544 1.00 0.00 H new ATOM 0 HD12 ILE A 44 16.053 4.863 4.550 1.00 0.00 H new ATOM 0 HD13 ILE A 44 15.859 5.022 6.312 1.00 0.00 H new ATOM 687 N LYS A 45 11.850 8.305 3.328 1.00 0.00 N ATOM 688 CA LYS A 45 11.288 9.615 2.994 1.00 0.00 C ATOM 689 C LYS A 45 9.771 9.583 3.157 1.00 0.00 C ATOM 690 O LYS A 45 9.216 10.278 4.007 1.00 0.00 O ATOM 691 CB LYS A 45 11.660 10.051 1.560 1.00 0.00 C ATOM 692 CG LYS A 45 12.970 10.826 1.441 1.00 0.00 C ATOM 693 CD LYS A 45 14.239 9.971 1.504 1.00 0.00 C ATOM 694 CE LYS A 45 15.374 10.931 1.150 1.00 0.00 C ATOM 695 NZ LYS A 45 16.716 10.331 1.196 1.00 0.00 N ATOM 0 H LYS A 45 12.439 7.903 2.598 1.00 0.00 H new ATOM 0 HA LYS A 45 11.715 10.347 3.680 1.00 0.00 H new ATOM 0 HB2 LYS A 45 11.722 9.163 0.931 1.00 0.00 H new ATOM 0 HB3 LYS A 45 10.853 10.667 1.163 1.00 0.00 H new ATOM 0 HG2 LYS A 45 12.966 11.373 0.498 1.00 0.00 H new ATOM 0 HG3 LYS A 45 13.010 11.567 2.240 1.00 0.00 H new ATOM 0 HD2 LYS A 45 14.378 9.542 2.496 1.00 0.00 H new ATOM 0 HD3 LYS A 45 14.191 9.139 0.801 1.00 0.00 H new ATOM 0 HE2 LYS A 45 15.200 11.326 0.149 1.00 0.00 H new ATOM 0 HE3 LYS A 45 15.344 11.778 1.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 17.421 11.034 0.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 16.926 10.025 2.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 16.751 9.510 0.559 1.00 0.00 H new ATOM 709 N ARG A 46 9.116 8.762 2.347 1.00 0.00 N ATOM 710 CA ARG A 46 7.684 8.682 2.134 1.00 0.00 C ATOM 711 C ARG A 46 6.929 8.246 3.374 1.00 0.00 C ATOM 712 O ARG A 46 5.868 8.800 3.654 1.00 0.00 O ATOM 713 CB ARG A 46 7.449 7.629 1.032 1.00 0.00 C ATOM 714 CG ARG A 46 7.467 8.170 -0.398 1.00 0.00 C ATOM 715 CD ARG A 46 6.114 8.802 -0.752 1.00 0.00 C ATOM 716 NE ARG A 46 5.977 8.971 -2.206 1.00 0.00 N ATOM 717 CZ ARG A 46 5.054 8.411 -2.999 1.00 0.00 C ATOM 718 NH1 ARG A 46 4.055 7.684 -2.508 1.00 0.00 N ATOM 719 NH2 ARG A 46 5.111 8.579 -4.309 1.00 0.00 N ATOM 0 H ARG A 46 9.617 8.081 1.777 1.00 0.00 H new ATOM 0 HA ARG A 46 7.319 9.673 1.863 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.213 6.856 1.121 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.487 7.148 1.210 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.259 8.911 -0.503 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.691 7.363 -1.095 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.306 8.174 -0.377 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.020 9.770 -0.259 1.00 0.00 H new ATOM 0 HE ARG A 46 6.658 9.580 -2.660 1.00 0.00 H new ATOM 0 HH11 ARG A 46 3.976 7.540 -1.501 1.00 0.00 H new ATOM 0 HH12 ARG A 46 3.368 7.270 -3.138 1.00 0.00 H new ATOM 0 HH21 ARG A 46 5.860 9.137 -4.720 1.00 0.00 H new ATOM 0 HH22 ARG A 46 4.406 8.151 -4.909 1.00 0.00 H new ATOM 733 N SER A 47 7.448 7.254 4.091 1.00 0.00 N ATOM 734 CA SER A 47 6.720 6.565 5.150 1.00 0.00 C ATOM 735 C SER A 47 7.460 6.462 6.485 1.00 0.00 C ATOM 736 O SER A 47 6.918 5.866 7.416 1.00 0.00 O ATOM 737 CB SER A 47 6.306 5.167 4.649 1.00 0.00 C ATOM 738 OG SER A 47 6.844 4.814 3.386 1.00 0.00 O ATOM 0 H SER A 47 8.395 6.903 3.951 1.00 0.00 H new ATOM 0 HA SER A 47 5.846 7.179 5.368 1.00 0.00 H new ATOM 0 HB2 SER A 47 6.618 4.424 5.383 1.00 0.00 H new ATOM 0 HB3 SER A 47 5.218 5.122 4.592 1.00 0.00 H new ATOM 0 HG SER A 47 7.821 4.888 3.414 1.00 0.00 H new ATOM 744 N GLY A 48 8.692 6.968 6.590 1.00 0.00 N ATOM 745 CA GLY A 48 9.531 6.797 7.776 1.00 0.00 C ATOM 746 C GLY A 48 9.927 5.341 8.031 1.00 0.00 C ATOM 747 O GLY A 48 10.426 5.027 9.116 1.00 0.00 O ATOM 0 H GLY A 48 9.136 7.511 5.849 1.00 0.00 H new ATOM 0 HA2 GLY A 48 10.434 7.398 7.664 1.00 0.00 H new ATOM 0 HA3 GLY A 48 8.999 7.180 8.647 1.00 0.00 H new ATOM 751 N ARG A 49 9.678 4.427 7.087 1.00 0.00 N ATOM 752 CA ARG A 49 9.782 2.991 7.259 1.00 0.00 C ATOM 753 C ARG A 49 10.470 2.378 6.042 1.00 0.00 C ATOM 754 O ARG A 49 11.139 3.087 5.307 1.00 0.00 O ATOM 755 CB ARG A 49 8.376 2.456 7.597 1.00 0.00 C ATOM 756 CG ARG A 49 8.007 2.847 9.038 1.00 0.00 C ATOM 757 CD ARG A 49 6.828 2.099 9.659 1.00 0.00 C ATOM 758 NE ARG A 49 6.825 2.381 11.103 1.00 0.00 N ATOM 759 CZ ARG A 49 6.417 1.568 12.079 1.00 0.00 C ATOM 760 NH1 ARG A 49 5.601 0.549 11.842 1.00 0.00 N ATOM 761 NH2 ARG A 49 6.832 1.768 13.321 1.00 0.00 N ATOM 0 H ARG A 49 9.387 4.689 6.145 1.00 0.00 H new ATOM 0 HA ARG A 49 10.420 2.701 8.094 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.644 2.864 6.900 1.00 0.00 H new ATOM 0 HB3 ARG A 49 8.352 1.372 7.486 1.00 0.00 H new ATOM 0 HG2 ARG A 49 8.882 2.692 9.670 1.00 0.00 H new ATOM 0 HG3 ARG A 49 7.784 3.914 9.057 1.00 0.00 H new ATOM 0 HD2 ARG A 49 5.890 2.420 9.205 1.00 0.00 H new ATOM 0 HD3 ARG A 49 6.918 1.028 9.479 1.00 0.00 H new ATOM 0 HE ARG A 49 7.172 3.297 11.389 1.00 0.00 H new ATOM 0 HH11 ARG A 49 5.269 0.371 10.894 1.00 0.00 H new ATOM 0 HH12 ARG A 49 5.305 -0.056 12.608 1.00 0.00 H new ATOM 0 HH21 ARG A 49 7.462 2.542 13.530 1.00 0.00 H new ATOM 0 HH22 ARG A 49 6.521 1.148 14.069 1.00 0.00 H new ATOM 775 N THR A 50 10.419 1.060 5.918 1.00 0.00 N ATOM 776 CA THR A 50 11.082 0.192 4.953 1.00 0.00 C ATOM 777 C THR A 50 10.292 -1.129 4.803 1.00 0.00 C ATOM 778 O THR A 50 10.741 -2.049 4.120 1.00 0.00 O ATOM 779 CB THR A 50 12.527 -0.101 5.414 1.00 0.00 C ATOM 780 OG1 THR A 50 12.606 -0.375 6.806 1.00 0.00 O ATOM 781 CG2 THR A 50 13.500 1.040 5.113 1.00 0.00 C ATOM 0 H THR A 50 9.849 0.511 6.562 1.00 0.00 H new ATOM 0 HA THR A 50 11.116 0.694 3.986 1.00 0.00 H new ATOM 0 HB THR A 50 12.816 -0.981 4.840 1.00 0.00 H new ATOM 0 HG1 THR A 50 13.537 -0.556 7.051 1.00 0.00 H new ATOM 0 HG21 THR A 50 14.497 0.770 5.462 1.00 0.00 H new ATOM 0 HG22 THR A 50 13.528 1.220 4.038 1.00 0.00 H new ATOM 0 HG23 THR A 50 13.169 1.944 5.624 1.00 0.00 H new ATOM 789 N THR A 51 9.149 -1.247 5.479 1.00 0.00 N ATOM 790 CA THR A 51 8.348 -2.443 5.687 1.00 0.00 C ATOM 791 C THR A 51 7.159 -2.454 4.740 1.00 0.00 C ATOM 792 O THR A 51 6.937 -1.504 3.991 1.00 0.00 O ATOM 793 CB THR A 51 7.883 -2.405 7.153 1.00 0.00 C ATOM 794 OG1 THR A 51 7.324 -1.141 7.471 1.00 0.00 O ATOM 795 CG2 THR A 51 9.030 -2.621 8.134 1.00 0.00 C ATOM 0 H THR A 51 8.728 -0.436 5.932 1.00 0.00 H new ATOM 0 HA THR A 51 8.923 -3.347 5.486 1.00 0.00 H new ATOM 0 HB THR A 51 7.152 -3.208 7.247 1.00 0.00 H new ATOM 0 HG1 THR A 51 7.033 -1.138 8.407 1.00 0.00 H new ATOM 0 HG21 THR A 51 8.648 -2.585 9.154 1.00 0.00 H new ATOM 0 HG22 THR A 51 9.486 -3.594 7.952 1.00 0.00 H new ATOM 0 HG23 THR A 51 9.777 -1.839 7.998 1.00 0.00 H new ATOM 803 N VAL A 52 6.384 -3.537 4.765 1.00 0.00 N ATOM 804 CA VAL A 52 5.341 -3.731 3.768 1.00 0.00 C ATOM 805 C VAL A 52 4.053 -4.358 4.326 1.00 0.00 C ATOM 806 O VAL A 52 4.094 -5.035 5.359 1.00 0.00 O ATOM 807 CB VAL A 52 5.888 -4.606 2.631 1.00 0.00 C ATOM 808 CG1 VAL A 52 6.658 -3.771 1.613 1.00 0.00 C ATOM 809 CG2 VAL A 52 6.719 -5.791 3.133 1.00 0.00 C ATOM 0 H VAL A 52 6.459 -4.283 5.457 1.00 0.00 H new ATOM 0 HA VAL A 52 5.065 -2.740 3.407 1.00 0.00 H new ATOM 0 HB VAL A 52 5.022 -5.037 2.129 1.00 0.00 H new ATOM 0 HG11 VAL A 52 7.033 -4.418 0.820 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.996 -3.019 1.184 1.00 0.00 H new ATOM 0 HG13 VAL A 52 7.496 -3.278 2.106 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.077 -6.371 2.282 1.00 0.00 H new ATOM 0 HG22 VAL A 52 7.570 -5.422 3.705 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.102 -6.425 3.770 1.00 0.00 H new ATOM 819 N PRO A 53 2.908 -4.175 3.638 1.00 0.00 N ATOM 820 CA PRO A 53 2.766 -3.230 2.539 1.00 0.00 C ATOM 821 C PRO A 53 2.828 -1.803 3.107 1.00 0.00 C ATOM 822 O PRO A 53 2.675 -1.605 4.315 1.00 0.00 O ATOM 823 CB PRO A 53 1.435 -3.555 1.860 1.00 0.00 C ATOM 824 CG PRO A 53 0.624 -4.257 2.943 1.00 0.00 C ATOM 825 CD PRO A 53 1.670 -4.900 3.859 1.00 0.00 C ATOM 0 HA PRO A 53 3.563 -3.303 1.799 1.00 0.00 H new ATOM 0 HB2 PRO A 53 0.935 -2.652 1.511 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.578 -4.197 0.991 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -0.000 -3.551 3.490 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -0.042 -5.007 2.515 1.00 0.00 H new ATOM 0 HD2 PRO A 53 1.364 -4.837 4.903 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.792 -5.958 3.626 1.00 0.00 H new ATOM 833 N GLN A 54 3.062 -0.819 2.245 1.00 0.00 N ATOM 834 CA GLN A 54 2.982 0.597 2.580 1.00 0.00 C ATOM 835 C GLN A 54 2.055 1.262 1.575 1.00 0.00 C ATOM 836 O GLN A 54 2.454 1.497 0.439 1.00 0.00 O ATOM 837 CB GLN A 54 4.381 1.249 2.721 1.00 0.00 C ATOM 838 CG GLN A 54 4.613 1.905 4.097 1.00 0.00 C ATOM 839 CD GLN A 54 5.827 1.381 4.863 1.00 0.00 C ATOM 840 OE1 GLN A 54 6.950 1.837 4.697 1.00 0.00 O ATOM 841 NE2 GLN A 54 5.611 0.497 5.815 1.00 0.00 N ATOM 0 H GLN A 54 3.318 -0.988 1.272 1.00 0.00 H new ATOM 0 HA GLN A 54 2.551 0.738 3.571 1.00 0.00 H new ATOM 0 HB2 GLN A 54 5.146 0.491 2.554 1.00 0.00 H new ATOM 0 HB3 GLN A 54 4.503 2.002 1.942 1.00 0.00 H new ATOM 0 HG2 GLN A 54 4.727 2.980 3.956 1.00 0.00 H new ATOM 0 HG3 GLN A 54 3.723 1.756 4.709 1.00 0.00 H new ATOM 0 HE21 GLN A 54 4.675 0.116 5.954 1.00 0.00 H new ATOM 0 HE22 GLN A 54 6.380 0.193 6.413 1.00 0.00 H new ATOM 850 N ILE A 55 0.795 1.471 1.956 1.00 0.00 N ATOM 851 CA ILE A 55 -0.198 2.104 1.097 1.00 0.00 C ATOM 852 C ILE A 55 -0.083 3.610 1.268 1.00 0.00 C ATOM 853 O ILE A 55 0.119 4.107 2.384 1.00 0.00 O ATOM 854 CB ILE A 55 -1.665 1.673 1.365 1.00 0.00 C ATOM 855 CG1 ILE A 55 -1.924 0.674 2.506 1.00 0.00 C ATOM 856 CG2 ILE A 55 -2.334 1.204 0.062 1.00 0.00 C ATOM 857 CD1 ILE A 55 -1.318 -0.729 2.368 1.00 0.00 C ATOM 0 H ILE A 55 0.436 1.204 2.873 1.00 0.00 H new ATOM 0 HA ILE A 55 0.021 1.780 0.080 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.126 2.586 1.741 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -1.549 1.114 3.430 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.003 0.565 2.620 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.362 0.905 0.268 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.331 2.019 -0.662 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.784 0.355 -0.344 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.580 -1.326 3.242 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.710 -1.208 1.471 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.233 -0.651 2.293 1.00 0.00 H new ATOM 869 N PHE A 56 -0.313 4.319 0.172 1.00 0.00 N ATOM 870 CA PHE A 56 -0.458 5.746 0.083 1.00 0.00 C ATOM 871 C PHE A 56 -1.713 5.991 -0.748 1.00 0.00 C ATOM 872 O PHE A 56 -1.842 5.381 -1.810 1.00 0.00 O ATOM 873 CB PHE A 56 0.761 6.309 -0.646 1.00 0.00 C ATOM 874 CG PHE A 56 1.998 6.386 0.212 1.00 0.00 C ATOM 875 CD1 PHE A 56 2.761 5.226 0.448 1.00 0.00 C ATOM 876 CD2 PHE A 56 2.365 7.608 0.800 1.00 0.00 C ATOM 877 CE1 PHE A 56 3.840 5.268 1.343 1.00 0.00 C ATOM 878 CE2 PHE A 56 3.460 7.652 1.673 1.00 0.00 C ATOM 879 CZ PHE A 56 4.152 6.473 1.991 1.00 0.00 C ATOM 0 H PHE A 56 -0.408 3.869 -0.739 1.00 0.00 H new ATOM 0 HA PHE A 56 -0.535 6.219 1.062 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.972 5.688 -1.517 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.523 7.306 -1.016 1.00 0.00 H new ATOM 0 HD1 PHE A 56 2.515 4.305 -0.060 1.00 0.00 H new ATOM 0 HD2 PHE A 56 1.807 8.507 0.581 1.00 0.00 H new ATOM 0 HE1 PHE A 56 4.426 4.381 1.532 1.00 0.00 H new ATOM 0 HE2 PHE A 56 3.772 8.593 2.101 1.00 0.00 H new ATOM 0 HZ PHE A 56 4.930 6.493 2.740 1.00 0.00 H new ATOM 889 N ILE A 57 -2.620 6.863 -0.310 1.00 0.00 N ATOM 890 CA ILE A 57 -3.729 7.333 -1.131 1.00 0.00 C ATOM 891 C ILE A 57 -3.654 8.854 -1.125 1.00 0.00 C ATOM 892 O ILE A 57 -3.621 9.446 -0.050 1.00 0.00 O ATOM 893 CB ILE A 57 -5.066 6.769 -0.612 1.00 0.00 C ATOM 894 CG1 ILE A 57 -5.196 5.257 -0.910 1.00 0.00 C ATOM 895 CG2 ILE A 57 -6.253 7.476 -1.282 1.00 0.00 C ATOM 896 CD1 ILE A 57 -4.790 4.345 0.241 1.00 0.00 C ATOM 0 H ILE A 57 -2.604 7.263 0.628 1.00 0.00 H new ATOM 0 HA ILE A 57 -3.664 6.980 -2.160 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.078 6.938 0.465 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -6.230 5.041 -1.180 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -4.583 5.018 -1.779 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -7.186 7.061 -0.900 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -6.213 8.543 -1.062 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -6.204 7.326 -2.361 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.914 3.304 -0.058 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -3.747 4.527 0.499 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -5.419 4.551 1.107 1.00 0.00 H new ATOM 908 N ASP A 58 -3.557 9.478 -2.301 1.00 0.00 N ATOM 909 CA ASP A 58 -3.319 10.914 -2.488 1.00 0.00 C ATOM 910 C ASP A 58 -2.273 11.462 -1.524 1.00 0.00 C ATOM 911 O ASP A 58 -2.467 12.504 -0.894 1.00 0.00 O ATOM 912 CB ASP A 58 -4.605 11.759 -2.527 1.00 0.00 C ATOM 913 CG ASP A 58 -5.692 11.190 -3.424 1.00 0.00 C ATOM 914 OD1 ASP A 58 -5.337 10.746 -4.542 1.00 0.00 O ATOM 915 OD2 ASP A 58 -6.876 11.280 -3.031 1.00 0.00 O ATOM 0 H ASP A 58 -3.645 8.978 -3.186 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.895 11.009 -3.488 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.996 11.853 -1.514 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.357 12.764 -2.867 1.00 0.00 H new ATOM 920 N ALA A 59 -1.154 10.737 -1.424 1.00 0.00 N ATOM 921 CA ALA A 59 0.017 11.019 -0.602 1.00 0.00 C ATOM 922 C ALA A 59 -0.217 10.883 0.909 1.00 0.00 C ATOM 923 O ALA A 59 0.698 11.149 1.691 1.00 0.00 O ATOM 924 CB ALA A 59 0.591 12.385 -0.970 1.00 0.00 C ATOM 0 H ALA A 59 -1.039 9.875 -1.957 1.00 0.00 H new ATOM 0 HA ALA A 59 0.750 10.244 -0.829 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.466 12.590 -0.353 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.880 12.387 -2.021 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.162 13.154 -0.799 1.00 0.00 H new ATOM 930 N GLN A 60 -1.400 10.465 1.351 1.00 0.00 N ATOM 931 CA GLN A 60 -1.658 10.093 2.736 1.00 0.00 C ATOM 932 C GLN A 60 -1.033 8.720 2.939 1.00 0.00 C ATOM 933 O GLN A 60 -1.558 7.730 2.426 1.00 0.00 O ATOM 934 CB GLN A 60 -3.168 10.055 3.044 1.00 0.00 C ATOM 935 CG GLN A 60 -3.838 11.406 2.777 1.00 0.00 C ATOM 936 CD GLN A 60 -5.361 11.333 2.822 1.00 0.00 C ATOM 937 OE1 GLN A 60 -5.965 10.790 3.747 1.00 0.00 O ATOM 938 NE2 GLN A 60 -6.026 11.918 1.843 1.00 0.00 N ATOM 0 H GLN A 60 -2.217 10.374 0.747 1.00 0.00 H new ATOM 0 HA GLN A 60 -1.228 10.830 3.414 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -3.644 9.287 2.435 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -3.319 9.774 4.086 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -3.492 12.129 3.515 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.526 11.774 1.800 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -5.520 12.366 1.079 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -7.046 11.922 1.850 1.00 0.00 H new ATOM 947 N HIS A 61 0.100 8.634 3.639 1.00 0.00 N ATOM 948 CA HIS A 61 0.626 7.340 4.063 1.00 0.00 C ATOM 949 C HIS A 61 -0.414 6.731 4.995 1.00 0.00 C ATOM 950 O HIS A 61 -0.754 7.345 6.009 1.00 0.00 O ATOM 951 CB HIS A 61 1.964 7.508 4.798 1.00 0.00 C ATOM 952 CG HIS A 61 2.530 6.242 5.409 1.00 0.00 C ATOM 953 ND1 HIS A 61 3.349 6.234 6.523 1.00 0.00 N ATOM 954 CD2 HIS A 61 2.318 4.938 5.022 1.00 0.00 C ATOM 955 CE1 HIS A 61 3.604 4.955 6.842 1.00 0.00 C ATOM 956 NE2 HIS A 61 2.979 4.149 5.956 1.00 0.00 N ATOM 0 H HIS A 61 0.664 9.436 3.920 1.00 0.00 H new ATOM 0 HA HIS A 61 0.811 6.698 3.202 1.00 0.00 H new ATOM 0 HB2 HIS A 61 2.696 7.913 4.099 1.00 0.00 H new ATOM 0 HB3 HIS A 61 1.835 8.247 5.588 1.00 0.00 H new ATOM 0 HD1 HIS A 61 3.698 7.056 7.016 1.00 0.00 H new ATOM 0 HD2 HIS A 61 1.753 4.597 4.167 1.00 0.00 H new ATOM 0 HE1 HIS A 61 4.210 4.624 7.672 1.00 0.00 H new ATOM 965 N ILE A 62 -0.909 5.538 4.680 1.00 0.00 N ATOM 966 CA ILE A 62 -1.851 4.812 5.512 1.00 0.00 C ATOM 967 C ILE A 62 -1.043 3.892 6.436 1.00 0.00 C ATOM 968 O ILE A 62 -0.838 4.211 7.608 1.00 0.00 O ATOM 969 CB ILE A 62 -2.871 4.083 4.609 1.00 0.00 C ATOM 970 CG1 ILE A 62 -3.368 4.947 3.430 1.00 0.00 C ATOM 971 CG2 ILE A 62 -4.047 3.559 5.444 1.00 0.00 C ATOM 972 CD1 ILE A 62 -4.137 6.226 3.787 1.00 0.00 C ATOM 0 H ILE A 62 -0.660 5.044 3.823 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.443 5.468 6.150 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.347 3.238 4.162 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -2.505 5.227 2.826 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -4.010 4.329 2.802 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -4.756 3.048 4.793 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.677 2.862 6.196 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.544 4.394 5.937 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -4.430 6.742 2.872 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -5.028 5.967 4.359 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.500 6.879 4.383 1.00 0.00 H new ATOM 984 N GLY A 63 -0.519 2.783 5.912 1.00 0.00 N ATOM 985 CA GLY A 63 0.095 1.723 6.694 1.00 0.00 C ATOM 986 C GLY A 63 0.112 0.454 5.861 1.00 0.00 C ATOM 987 O GLY A 63 0.437 0.537 4.678 1.00 0.00 O ATOM 0 H GLY A 63 -0.512 2.598 4.909 1.00 0.00 H new ATOM 0 HA2 GLY A 63 1.109 2.002 6.979 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.462 1.562 7.617 1.00 0.00 H new ATOM 991 N GLY A 64 -0.185 -0.693 6.467 1.00 0.00 N ATOM 992 CA GLY A 64 -0.122 -2.023 5.881 1.00 0.00 C ATOM 993 C GLY A 64 -1.517 -2.592 5.667 1.00 0.00 C ATOM 994 O GLY A 64 -2.481 -1.831 5.612 1.00 0.00 O ATOM 0 H GLY A 64 -0.494 -0.716 7.439 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.407 -1.980 4.929 1.00 0.00 H new ATOM 0 HA3 GLY A 64 0.448 -2.685 6.533 1.00 0.00 H new ATOM 998 N TYR A 65 -1.638 -3.915 5.483 1.00 0.00 N ATOM 999 CA TYR A 65 -2.934 -4.508 5.156 1.00 0.00 C ATOM 1000 C TYR A 65 -3.930 -4.256 6.263 1.00 0.00 C ATOM 1001 O TYR A 65 -5.069 -3.947 5.963 1.00 0.00 O ATOM 1002 CB TYR A 65 -2.876 -6.017 4.879 1.00 0.00 C ATOM 1003 CG TYR A 65 -4.239 -6.698 4.878 1.00 0.00 C ATOM 1004 CD1 TYR A 65 -5.156 -6.406 3.856 1.00 0.00 C ATOM 1005 CD2 TYR A 65 -4.625 -7.575 5.911 1.00 0.00 C ATOM 1006 CE1 TYR A 65 -6.376 -7.094 3.748 1.00 0.00 C ATOM 1007 CE2 TYR A 65 -5.876 -8.219 5.855 1.00 0.00 C ATOM 1008 CZ TYR A 65 -6.736 -8.023 4.753 1.00 0.00 C ATOM 1009 OH TYR A 65 -7.865 -8.779 4.656 1.00 0.00 O ATOM 0 H TYR A 65 -0.868 -4.580 5.554 1.00 0.00 H new ATOM 0 HA TYR A 65 -3.249 -4.020 4.233 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -2.398 -6.181 3.913 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -2.245 -6.490 5.631 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.918 -5.636 3.137 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -3.962 -7.753 6.745 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -7.031 -6.916 2.908 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -6.180 -8.869 6.662 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.653 -8.197 4.691 1.00 0.00 H new ATOM 1019 N ASP A 66 -3.516 -4.389 7.515 1.00 0.00 N ATOM 1020 CA ASP A 66 -4.434 -4.209 8.629 1.00 0.00 C ATOM 1021 C ASP A 66 -4.962 -2.771 8.657 1.00 0.00 C ATOM 1022 O ASP A 66 -6.148 -2.548 8.883 1.00 0.00 O ATOM 1023 CB ASP A 66 -3.687 -4.566 9.906 1.00 0.00 C ATOM 1024 CG ASP A 66 -4.443 -4.095 11.135 1.00 0.00 C ATOM 1025 OD1 ASP A 66 -5.354 -4.841 11.563 1.00 0.00 O ATOM 1026 OD2 ASP A 66 -4.076 -3.041 11.696 1.00 0.00 O ATOM 0 H ASP A 66 -2.559 -4.619 7.783 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.304 -4.858 8.527 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.543 -5.645 9.956 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.696 -4.112 9.890 1.00 0.00 H new ATOM 1031 N ASP A 67 -4.095 -1.804 8.348 1.00 0.00 N ATOM 1032 CA ASP A 67 -4.418 -0.381 8.332 1.00 0.00 C ATOM 1033 C ASP A 67 -5.389 -0.079 7.191 1.00 0.00 C ATOM 1034 O ASP A 67 -6.409 0.581 7.379 1.00 0.00 O ATOM 1035 CB ASP A 67 -3.151 0.464 8.123 1.00 0.00 C ATOM 1036 CG ASP A 67 -2.059 0.284 9.177 1.00 0.00 C ATOM 1037 OD1 ASP A 67 -1.309 -0.720 9.093 1.00 0.00 O ATOM 1038 OD2 ASP A 67 -1.832 1.213 9.979 1.00 0.00 O ATOM 0 H ASP A 67 -3.126 -1.997 8.096 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.870 -0.130 9.292 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.732 0.223 7.146 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -3.437 1.516 8.097 1.00 0.00 H new ATOM 1043 N LEU A 68 -5.065 -0.570 5.996 1.00 0.00 N ATOM 1044 CA LEU A 68 -5.890 -0.543 4.791 1.00 0.00 C ATOM 1045 C LEU A 68 -7.243 -1.154 5.061 1.00 0.00 C ATOM 1046 O LEU A 68 -8.265 -0.567 4.724 1.00 0.00 O ATOM 1047 CB LEU A 68 -5.145 -1.310 3.687 1.00 0.00 C ATOM 1048 CG LEU A 68 -5.796 -1.348 2.290 1.00 0.00 C ATOM 1049 CD1 LEU A 68 -4.801 -2.003 1.333 1.00 0.00 C ATOM 1050 CD2 LEU A 68 -7.046 -2.222 2.204 1.00 0.00 C ATOM 0 H LEU A 68 -4.166 -1.024 5.834 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.060 0.485 4.473 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.152 -0.873 3.584 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.008 -2.338 4.024 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.065 -0.318 2.054 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.232 -2.045 0.333 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.882 -1.418 1.307 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.578 -3.014 1.675 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -7.441 -2.193 1.188 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.791 -3.249 2.465 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.800 -1.848 2.897 1.00 0.00 H new ATOM 1062 N TYR A 69 -7.263 -2.355 5.608 1.00 0.00 N ATOM 1063 CA TYR A 69 -8.469 -3.125 5.704 1.00 0.00 C ATOM 1064 C TYR A 69 -9.377 -2.415 6.716 1.00 0.00 C ATOM 1065 O TYR A 69 -10.578 -2.291 6.487 1.00 0.00 O ATOM 1066 CB TYR A 69 -8.089 -4.551 6.100 1.00 0.00 C ATOM 1067 CG TYR A 69 -9.288 -5.444 6.050 1.00 0.00 C ATOM 1068 CD1 TYR A 69 -10.273 -5.378 7.038 1.00 0.00 C ATOM 1069 CD2 TYR A 69 -9.513 -6.174 4.874 1.00 0.00 C ATOM 1070 CE1 TYR A 69 -11.503 -5.992 6.806 1.00 0.00 C ATOM 1071 CE2 TYR A 69 -10.723 -6.838 4.653 1.00 0.00 C ATOM 1072 CZ TYR A 69 -11.754 -6.706 5.612 1.00 0.00 C ATOM 1073 OH TYR A 69 -13.008 -7.166 5.361 1.00 0.00 O ATOM 0 H TYR A 69 -6.440 -2.816 5.995 1.00 0.00 H new ATOM 0 HA TYR A 69 -9.018 -3.198 4.765 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -7.318 -4.929 5.428 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.666 -4.556 7.105 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -10.085 -4.860 7.967 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -8.737 -6.224 4.125 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -12.279 -5.921 7.553 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -10.868 -7.440 3.768 1.00 0.00 H new ATOM 0 HH TYR A 69 -13.018 -7.635 4.501 1.00 0.00 H new ATOM 1083 N ALA A 70 -8.804 -1.860 7.792 1.00 0.00 N ATOM 1084 CA ALA A 70 -9.531 -0.983 8.687 1.00 0.00 C ATOM 1085 C ALA A 70 -10.034 0.268 7.952 1.00 0.00 C ATOM 1086 O ALA A 70 -11.173 0.667 8.179 1.00 0.00 O ATOM 1087 CB ALA A 70 -8.651 -0.632 9.888 1.00 0.00 C ATOM 0 H ALA A 70 -7.830 -2.012 8.056 1.00 0.00 H new ATOM 0 HA ALA A 70 -10.417 -1.501 9.055 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -9.199 0.028 10.560 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -8.378 -1.544 10.418 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.748 -0.129 9.543 1.00 0.00 H new ATOM 1093 N LEU A 71 -9.229 0.912 7.093 1.00 0.00 N ATOM 1094 CA LEU A 71 -9.653 2.057 6.296 1.00 0.00 C ATOM 1095 C LEU A 71 -10.874 1.691 5.441 1.00 0.00 C ATOM 1096 O LEU A 71 -11.814 2.478 5.330 1.00 0.00 O ATOM 1097 CB LEU A 71 -8.471 2.575 5.464 1.00 0.00 C ATOM 1098 CG LEU A 71 -8.838 3.739 4.528 1.00 0.00 C ATOM 1099 CD1 LEU A 71 -9.121 4.997 5.349 1.00 0.00 C ATOM 1100 CD2 LEU A 71 -7.701 4.008 3.538 1.00 0.00 C ATOM 0 H LEU A 71 -8.257 0.644 6.936 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.967 2.870 6.950 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -7.678 2.898 6.138 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.069 1.755 4.869 1.00 0.00 H new ATOM 0 HG LEU A 71 -9.732 3.467 3.967 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -9.380 5.817 4.680 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.951 4.808 6.030 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.234 5.264 5.923 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.977 4.834 2.883 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.795 4.266 4.086 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.521 3.115 2.939 1.00 0.00 H new ATOM 1112 N ASP A 72 -10.871 0.502 4.833 1.00 0.00 N ATOM 1113 CA ASP A 72 -11.987 -0.026 4.055 1.00 0.00 C ATOM 1114 C ASP A 72 -13.207 -0.259 4.940 1.00 0.00 C ATOM 1115 O ASP A 72 -14.340 0.040 4.550 1.00 0.00 O ATOM 1116 CB ASP A 72 -11.603 -1.312 3.303 1.00 0.00 C ATOM 1117 CG ASP A 72 -12.777 -1.838 2.468 1.00 0.00 C ATOM 1118 OD1 ASP A 72 -13.205 -1.115 1.539 1.00 0.00 O ATOM 1119 OD2 ASP A 72 -13.284 -2.947 2.761 1.00 0.00 O ATOM 0 H ASP A 72 -10.073 -0.132 4.871 1.00 0.00 H new ATOM 0 HA ASP A 72 -12.244 0.724 3.307 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -10.750 -1.115 2.653 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -11.291 -2.074 4.017 1.00 0.00 H new ATOM 1124 N ALA A 73 -12.995 -0.715 6.173 1.00 0.00 N ATOM 1125 CA ALA A 73 -14.066 -0.818 7.162 1.00 0.00 C ATOM 1126 C ALA A 73 -14.568 0.568 7.598 1.00 0.00 C ATOM 1127 O ALA A 73 -15.701 0.700 8.055 1.00 0.00 O ATOM 1128 CB ALA A 73 -13.603 -1.641 8.366 1.00 0.00 C ATOM 0 H ALA A 73 -12.083 -1.021 6.513 1.00 0.00 H new ATOM 0 HA ALA A 73 -14.906 -1.333 6.695 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -14.412 -1.708 9.093 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.326 -2.643 8.037 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.740 -1.159 8.826 1.00 0.00 H new ATOM 1134 N ARG A 74 -13.763 1.620 7.429 1.00 0.00 N ATOM 1135 CA ARG A 74 -14.150 3.012 7.648 1.00 0.00 C ATOM 1136 C ARG A 74 -14.875 3.580 6.432 1.00 0.00 C ATOM 1137 O ARG A 74 -15.371 4.709 6.493 1.00 0.00 O ATOM 1138 CB ARG A 74 -12.894 3.850 7.982 1.00 0.00 C ATOM 1139 CG ARG A 74 -13.027 4.438 9.385 1.00 0.00 C ATOM 1140 CD ARG A 74 -11.825 5.303 9.796 1.00 0.00 C ATOM 1141 NE ARG A 74 -11.877 5.556 11.244 1.00 0.00 N ATOM 1142 CZ ARG A 74 -12.890 6.177 11.853 1.00 0.00 C ATOM 1143 NH1 ARG A 74 -13.593 7.111 11.219 1.00 0.00 N ATOM 1144 NH2 ARG A 74 -13.217 5.797 13.078 1.00 0.00 N ATOM 0 H ARG A 74 -12.794 1.521 7.126 1.00 0.00 H new ATOM 0 HA ARG A 74 -14.842 3.056 8.489 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -12.002 3.226 7.921 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -12.774 4.650 7.252 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -13.934 5.041 9.435 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -13.144 3.626 10.103 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -10.894 4.798 9.537 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -11.838 6.246 9.250 1.00 0.00 H new ATOM 0 HE ARG A 74 -11.094 5.239 11.816 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -13.360 7.360 10.257 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -14.365 7.579 11.694 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -12.699 5.046 13.534 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -13.987 6.255 13.566 1.00 0.00 H new ATOM 1158 N GLY A 75 -14.938 2.849 5.317 1.00 0.00 N ATOM 1159 CA GLY A 75 -15.454 3.373 4.061 1.00 0.00 C ATOM 1160 C GLY A 75 -14.548 4.477 3.517 1.00 0.00 C ATOM 1161 O GLY A 75 -15.001 5.309 2.736 1.00 0.00 O ATOM 0 H GLY A 75 -14.631 1.878 5.265 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -15.531 2.568 3.331 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -16.460 3.764 4.212 1.00 0.00 H new ATOM 1165 N GLY A 76 -13.289 4.542 3.959 1.00 0.00 N ATOM 1166 CA GLY A 76 -12.341 5.581 3.586 1.00 0.00 C ATOM 1167 C GLY A 76 -11.436 5.144 2.440 1.00 0.00 C ATOM 1168 O GLY A 76 -10.460 5.835 2.153 1.00 0.00 O ATOM 0 H GLY A 76 -12.897 3.854 4.602 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -12.884 6.480 3.296 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -11.731 5.842 4.451 1.00 0.00 H new ATOM 1172 N LEU A 77 -11.714 3.995 1.819 1.00 0.00 N ATOM 1173 CA LEU A 77 -10.923 3.415 0.742 1.00 0.00 C ATOM 1174 C LEU A 77 -11.712 3.500 -0.562 1.00 0.00 C ATOM 1175 O LEU A 77 -11.226 4.075 -1.534 1.00 0.00 O ATOM 1176 CB LEU A 77 -10.544 1.983 1.149 1.00 0.00 C ATOM 1177 CG LEU A 77 -9.749 1.226 0.072 1.00 0.00 C ATOM 1178 CD1 LEU A 77 -8.556 0.518 0.711 1.00 0.00 C ATOM 1179 CD2 LEU A 77 -10.624 0.181 -0.638 1.00 0.00 C ATOM 0 H LEU A 77 -12.525 3.427 2.064 1.00 0.00 H new ATOM 0 HA LEU A 77 -9.995 3.961 0.571 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -9.955 2.019 2.065 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -11.453 1.426 1.376 1.00 0.00 H new ATOM 0 HG LEU A 77 -9.407 1.955 -0.663 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -7.996 -0.017 -0.057 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -7.908 1.254 1.186 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -8.911 -0.190 1.460 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -10.032 -0.336 -1.393 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -10.993 -0.540 0.091 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -11.468 0.678 -1.116 1.00 0.00 H new ATOM 1191 N ASP A 78 -12.950 3.001 -0.550 1.00 0.00 N ATOM 1192 CA ASP A 78 -13.889 3.026 -1.675 1.00 0.00 C ATOM 1193 C ASP A 78 -13.946 4.376 -2.404 1.00 0.00 C ATOM 1194 O ASP A 78 -13.695 4.396 -3.612 1.00 0.00 O ATOM 1195 CB ASP A 78 -15.291 2.593 -1.210 1.00 0.00 C ATOM 1196 CG ASP A 78 -16.061 1.826 -2.271 1.00 0.00 C ATOM 1197 OD1 ASP A 78 -16.669 2.445 -3.174 1.00 0.00 O ATOM 1198 OD2 ASP A 78 -16.136 0.584 -2.151 1.00 0.00 O ATOM 0 H ASP A 78 -13.342 2.550 0.277 1.00 0.00 H new ATOM 0 HA ASP A 78 -13.511 2.312 -2.406 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -15.196 1.972 -0.319 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -15.861 3.477 -0.924 1.00 0.00 H new ATOM 1203 N PRO A 79 -14.221 5.520 -1.740 1.00 0.00 N ATOM 1204 CA PRO A 79 -14.461 6.776 -2.444 1.00 0.00 C ATOM 1205 C PRO A 79 -13.199 7.357 -3.090 1.00 0.00 C ATOM 1206 O PRO A 79 -13.314 8.291 -3.890 1.00 0.00 O ATOM 1207 CB PRO A 79 -15.033 7.726 -1.387 1.00 0.00 C ATOM 1208 CG PRO A 79 -14.391 7.235 -0.096 1.00 0.00 C ATOM 1209 CD PRO A 79 -14.395 5.725 -0.305 1.00 0.00 C ATOM 0 HA PRO A 79 -15.145 6.622 -3.279 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -14.774 8.764 -1.596 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -16.121 7.671 -1.342 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -13.383 7.628 0.035 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -14.964 7.528 0.784 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -13.591 5.251 0.258 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -15.330 5.285 0.042 1.00 0.00 H new ATOM 1217 N LEU A 80 -12.009 6.847 -2.756 1.00 0.00 N ATOM 1218 CA LEU A 80 -10.736 7.354 -3.252 1.00 0.00 C ATOM 1219 C LEU A 80 -10.168 6.454 -4.346 1.00 0.00 C ATOM 1220 O LEU A 80 -9.245 6.868 -5.038 1.00 0.00 O ATOM 1221 CB LEU A 80 -9.743 7.500 -2.089 1.00 0.00 C ATOM 1222 CG LEU A 80 -10.140 8.594 -1.077 1.00 0.00 C ATOM 1223 CD1 LEU A 80 -9.358 8.454 0.231 1.00 0.00 C ATOM 1224 CD2 LEU A 80 -9.899 10.002 -1.631 1.00 0.00 C ATOM 0 H LEU A 80 -11.907 6.055 -2.121 1.00 0.00 H new ATOM 0 HA LEU A 80 -10.905 8.335 -3.695 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -9.662 6.546 -1.568 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -8.756 7.728 -2.491 1.00 0.00 H new ATOM 0 HG LEU A 80 -11.205 8.458 -0.889 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -9.662 9.240 0.922 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -9.564 7.480 0.676 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -8.291 8.542 0.028 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -10.192 10.741 -0.886 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -8.842 10.124 -1.867 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -10.491 10.144 -2.535 1.00 0.00 H new ATOM 1236 N LEU A 81 -10.727 5.263 -4.571 1.00 0.00 N ATOM 1237 CA LEU A 81 -10.316 4.390 -5.674 1.00 0.00 C ATOM 1238 C LEU A 81 -11.187 4.577 -6.919 1.00 0.00 C ATOM 1239 O LEU A 81 -11.046 3.824 -7.884 1.00 0.00 O ATOM 1240 CB LEU A 81 -10.282 2.942 -5.180 1.00 0.00 C ATOM 1241 CG LEU A 81 -8.973 2.675 -4.414 1.00 0.00 C ATOM 1242 CD1 LEU A 81 -9.159 1.514 -3.446 1.00 0.00 C ATOM 1243 CD2 LEU A 81 -7.806 2.390 -5.369 1.00 0.00 C ATOM 0 H LEU A 81 -11.475 4.877 -3.996 1.00 0.00 H new ATOM 0 HA LEU A 81 -9.311 4.667 -5.993 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -11.137 2.750 -4.532 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.363 2.259 -6.026 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.727 3.575 -3.851 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -8.227 1.334 -2.910 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.947 1.757 -2.733 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.437 0.618 -4.001 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -6.900 2.207 -4.792 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -8.036 1.512 -5.972 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -7.652 3.249 -6.022 1.00 0.00 H new