USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 652 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 80 ASN : amide:sc= -0.643 X(o=-0.61,f=-0.17) USER MOD Set 1.2: A 84 LYS NZ :NH3+ -131:sc= 0.0295 (180deg=0) USER MOD Set 2.1: A 57 ASN : amide:sc= -0.0487 X(o=-0.049,f=0.039) USER MOD Set 2.2: A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl -153:sc= -0.17 (180deg=-1.35!) USER MOD Single : A 25 SER OG : rot -122:sc= 0.121 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 51:sc= 0.155 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 42 ASN : amide:sc= -0.833 K(o=-0.83,f=-0.27) USER MOD Single : A 43 ASN : amide:sc= -0.0324 K(o=-0.032,f=-1.1) USER MOD Single : A 45 GLN : amide:sc= -0.0239 X(o=-0.024,f=-0.26) USER MOD Single : A 52 ASN : amide:sc= -0.81 K(o=-0.81,f=-0.12!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -178:sc= 0.446 (180deg=0.247) USER MOD Single : A 61 LYS NZ :NH3+ -121:sc= 1.6 (180deg=0.573) USER MOD Single : A 63 SER OG : rot -41:sc= 0.375 USER MOD Single : A 64 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 66 TYR OH : rot 117:sc= -2.5! USER MOD Single : A 68 THR OG1 : rot 56:sc= 0.197 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.187 X(o=-0.19,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=-0.06) USER MOD Single : A 100 HIS : no HD1:sc=-0.000667 X(o=-0.00067,f=-0.21) USER MOD Single : A 101 HIS : no HE2:sc= -1.09 K(o=-1.1,f=-2.7!) USER MOD Single : A 102 HIS : no HE2:sc= 0.185 K(o=0.19,f=-1.1) USER MOD Single : A 103 HIS : no HD1:sc= -0.241 K(o=-0.24,f=-1.6) USER MOD Single : A 104 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 23 69.675 -19.073 15.739 1.00 10.94 N ATOM 2 CA MET A 23 70.225 -18.780 14.384 1.00 10.35 C ATOM 3 C MET A 23 69.221 -17.938 13.603 1.00 9.43 C ATOM 4 O MET A 23 68.173 -18.432 13.188 1.00 9.09 O ATOM 5 CB MET A 23 70.485 -20.097 13.649 1.00 10.57 C ATOM 6 CG MET A 23 71.357 -19.832 12.419 1.00 11.57 C ATOM 7 SD MET A 23 71.474 -21.342 11.428 1.00 12.15 S ATOM 8 CE MET A 23 72.286 -22.373 12.674 1.00 12.34 C ATOM 0 HA MET A 23 71.161 -18.229 14.475 1.00 10.35 H new ATOM 0 HB2 MET A 23 70.980 -20.805 14.313 1.00 10.57 H new ATOM 0 HB3 MET A 23 69.541 -20.550 13.348 1.00 10.57 H new ATOM 0 HG2 MET A 23 70.929 -19.025 11.824 1.00 11.57 H new ATOM 0 HG3 MET A 23 72.351 -19.508 12.727 1.00 11.57 H new ATOM 0 HE1 MET A 23 72.873 -23.147 12.179 1.00 12.34 H new ATOM 0 HE2 MET A 23 72.943 -21.755 13.286 1.00 12.34 H new ATOM 0 HE3 MET A 23 71.532 -22.839 13.308 1.00 12.34 H new ATOM 20 N ALA A 24 69.550 -16.665 13.405 1.00 9.26 N ATOM 21 CA ALA A 24 68.669 -15.766 12.663 1.00 8.60 C ATOM 22 C ALA A 24 69.100 -15.617 11.200 1.00 7.85 C ATOM 23 O ALA A 24 68.842 -14.586 10.579 1.00 7.84 O ATOM 24 CB ALA A 24 68.660 -14.389 13.330 1.00 9.02 C ATOM 0 H ALA A 24 70.411 -16.235 13.744 1.00 9.26 H new ATOM 0 HA ALA A 24 67.669 -16.201 12.675 1.00 8.60 H new ATOM 0 HB1 ALA A 24 68.002 -13.720 12.775 1.00 9.02 H new ATOM 0 HB2 ALA A 24 68.301 -14.483 14.355 1.00 9.02 H new ATOM 0 HB3 ALA A 24 69.671 -13.981 13.336 1.00 9.02 H new ATOM 30 N SER A 25 69.752 -16.640 10.651 1.00 7.48 N ATOM 31 CA SER A 25 70.186 -16.605 9.255 1.00 7.06 C ATOM 32 C SER A 25 69.003 -16.566 8.282 1.00 6.13 C ATOM 33 O SER A 25 69.138 -16.073 7.162 1.00 5.81 O ATOM 34 CB SER A 25 71.047 -17.831 8.953 1.00 7.43 C ATOM 35 OG SER A 25 70.234 -18.996 8.998 1.00 7.66 O ATOM 0 H SER A 25 69.990 -17.499 11.147 1.00 7.48 H new ATOM 0 HA SER A 25 70.763 -15.691 9.116 1.00 7.06 H new ATOM 0 HB2 SER A 25 71.509 -17.733 7.970 1.00 7.43 H new ATOM 0 HB3 SER A 25 71.856 -17.910 9.679 1.00 7.43 H new ATOM 0 HG SER A 25 70.592 -19.619 9.664 1.00 7.66 H new ATOM 41 N GLU A 26 67.849 -17.082 8.701 1.00 6.02 N ATOM 42 CA GLU A 26 66.681 -17.140 7.828 1.00 5.52 C ATOM 43 C GLU A 26 66.308 -15.757 7.295 1.00 4.55 C ATOM 44 O GLU A 26 65.816 -15.641 6.171 1.00 4.71 O ATOM 45 CB GLU A 26 65.493 -17.729 8.592 1.00 6.21 C ATOM 46 CG GLU A 26 65.817 -19.167 9.012 1.00 7.11 C ATOM 47 CD GLU A 26 66.051 -20.068 7.796 1.00 7.09 C ATOM 48 OE1 GLU A 26 65.652 -19.701 6.701 1.00 6.52 O ATOM 49 OE2 GLU A 26 66.633 -21.124 7.982 1.00 7.84 O ATOM 0 H GLU A 26 67.699 -17.464 9.635 1.00 6.02 H new ATOM 0 HA GLU A 26 66.931 -17.775 6.978 1.00 5.52 H new ATOM 0 HB2 GLU A 26 65.276 -17.122 9.471 1.00 6.21 H new ATOM 0 HB3 GLU A 26 64.601 -17.714 7.966 1.00 6.21 H new ATOM 0 HG2 GLU A 26 66.704 -19.171 9.645 1.00 7.11 H new ATOM 0 HG3 GLU A 26 64.997 -19.566 9.609 1.00 7.11 H new ATOM 56 N SER A 27 66.538 -14.715 8.091 1.00 3.94 N ATOM 57 CA SER A 27 66.142 -13.369 7.691 1.00 3.27 C ATOM 58 C SER A 27 66.775 -12.987 6.355 1.00 2.27 C ATOM 59 O SER A 27 67.960 -13.225 6.123 1.00 2.60 O ATOM 60 CB SER A 27 66.565 -12.363 8.762 1.00 3.88 C ATOM 61 OG SER A 27 65.958 -12.714 9.997 1.00 4.25 O ATOM 0 H SER A 27 66.990 -14.775 9.003 1.00 3.94 H new ATOM 0 HA SER A 27 65.058 -13.353 7.579 1.00 3.27 H new ATOM 0 HB2 SER A 27 67.650 -12.358 8.865 1.00 3.88 H new ATOM 0 HB3 SER A 27 66.268 -11.356 8.470 1.00 3.88 H new ATOM 0 HG SER A 27 66.227 -12.073 10.688 1.00 4.25 H new ATOM 67 N ASN A 28 65.967 -12.391 5.485 1.00 1.86 N ATOM 68 CA ASN A 28 66.446 -11.899 4.198 1.00 1.90 C ATOM 69 C ASN A 28 66.628 -10.384 4.246 1.00 1.49 C ATOM 70 O ASN A 28 66.045 -9.711 5.096 1.00 2.29 O ATOM 71 CB ASN A 28 65.448 -12.262 3.096 1.00 2.82 C ATOM 72 CG ASN A 28 65.343 -13.778 2.958 1.00 3.50 C ATOM 73 OD1 ASN A 28 66.267 -14.505 3.327 1.00 3.69 O ATOM 74 ND2 ASN A 28 64.263 -14.303 2.447 1.00 4.39 N ATOM 0 H ASN A 28 64.972 -12.236 5.649 1.00 1.86 H new ATOM 0 HA ASN A 28 67.407 -12.365 3.982 1.00 1.90 H new ATOM 0 HB2 ASN A 28 64.469 -11.842 3.329 1.00 2.82 H new ATOM 0 HB3 ASN A 28 65.765 -11.825 2.149 1.00 2.82 H new ATOM 0 HD21 ASN A 28 64.183 -15.316 2.353 1.00 4.39 H new ATOM 0 HD22 ASN A 28 63.498 -13.701 2.142 1.00 4.39 H new ATOM 81 N GLY A 29 67.435 -9.852 3.334 1.00 0.74 N ATOM 82 CA GLY A 29 67.620 -8.407 3.249 1.00 0.29 C ATOM 83 C GLY A 29 68.501 -7.901 4.385 1.00 0.24 C ATOM 84 O GLY A 29 68.002 -7.481 5.429 1.00 0.28 O ATOM 0 H GLY A 29 67.966 -10.392 2.651 1.00 0.74 H new ATOM 0 HA2 GLY A 29 68.073 -8.151 2.291 1.00 0.29 H new ATOM 0 HA3 GLY A 29 66.651 -7.910 3.287 1.00 0.29 H new ATOM 88 N ARG A 30 69.814 -7.944 4.176 1.00 0.19 N ATOM 89 CA ARG A 30 70.749 -7.495 5.204 1.00 0.19 C ATOM 90 C ARG A 30 70.481 -6.034 5.557 1.00 0.15 C ATOM 91 O ARG A 30 70.068 -5.257 4.700 1.00 0.13 O ATOM 92 CB ARG A 30 72.190 -7.654 4.713 1.00 0.21 C ATOM 93 CG ARG A 30 72.481 -9.135 4.462 1.00 0.59 C ATOM 94 CD ARG A 30 73.949 -9.311 4.071 1.00 0.95 C ATOM 95 NE ARG A 30 74.194 -10.688 3.634 1.00 1.70 N ATOM 96 CZ ARG A 30 75.381 -11.302 3.749 1.00 2.16 C ATOM 97 NH1 ARG A 30 76.431 -10.706 4.261 1.00 2.37 N ATOM 98 NH2 ARG A 30 75.494 -12.534 3.337 1.00 2.74 N ATOM 0 H ARG A 30 70.250 -8.280 3.317 1.00 0.19 H new ATOM 0 HA ARG A 30 70.608 -8.107 6.095 1.00 0.19 H new ATOM 0 HB2 ARG A 30 72.339 -7.082 3.797 1.00 0.21 H new ATOM 0 HB3 ARG A 30 72.884 -7.256 5.453 1.00 0.21 H new ATOM 0 HG2 ARG A 30 72.261 -9.716 5.358 1.00 0.59 H new ATOM 0 HG3 ARG A 30 71.835 -9.514 3.670 1.00 0.59 H new ATOM 0 HD2 ARG A 30 74.206 -8.617 3.271 1.00 0.95 H new ATOM 0 HD3 ARG A 30 74.590 -9.071 4.919 1.00 0.95 H new ATOM 0 HE ARG A 30 73.420 -11.208 3.220 1.00 1.70 H new ATOM 0 HH11 ARG A 30 76.361 -9.742 4.588 1.00 2.37 H new ATOM 0 HH12 ARG A 30 77.317 -11.206 4.332 1.00 2.37 H new ATOM 0 HH21 ARG A 30 74.688 -13.014 2.936 1.00 2.74 H new ATOM 0 HH22 ARG A 30 76.388 -13.018 3.416 1.00 2.74 H new ATOM 112 N LYS A 31 70.677 -5.670 6.823 1.00 0.15 N ATOM 113 CA LYS A 31 70.497 -4.279 7.235 1.00 0.13 C ATOM 114 C LYS A 31 71.743 -3.465 6.898 1.00 0.11 C ATOM 115 O LYS A 31 72.866 -3.913 7.135 1.00 0.13 O ATOM 116 CB LYS A 31 70.217 -4.207 8.737 1.00 0.16 C ATOM 117 CG LYS A 31 68.892 -4.909 9.042 1.00 0.92 C ATOM 118 CD LYS A 31 68.555 -4.751 10.526 1.00 0.91 C ATOM 119 CE LYS A 31 67.295 -5.554 10.853 1.00 1.87 C ATOM 120 NZ LYS A 31 66.969 -5.401 12.299 1.00 2.29 N ATOM 0 H LYS A 31 70.956 -6.306 7.570 1.00 0.15 H new ATOM 0 HA LYS A 31 69.646 -3.862 6.696 1.00 0.13 H new ATOM 0 HB2 LYS A 31 71.027 -4.679 9.292 1.00 0.16 H new ATOM 0 HB3 LYS A 31 70.173 -3.167 9.060 1.00 0.16 H new ATOM 0 HG2 LYS A 31 68.095 -4.485 8.431 1.00 0.92 H new ATOM 0 HG3 LYS A 31 68.962 -5.966 8.785 1.00 0.92 H new ATOM 0 HD2 LYS A 31 69.388 -5.097 11.138 1.00 0.91 H new ATOM 0 HD3 LYS A 31 68.400 -3.699 10.764 1.00 0.91 H new ATOM 0 HE2 LYS A 31 66.461 -5.207 10.243 1.00 1.87 H new ATOM 0 HE3 LYS A 31 67.449 -6.606 10.613 1.00 1.87 H new ATOM 0 HZ1 LYS A 31 66.112 -5.947 12.521 1.00 2.29 H new ATOM 0 HZ2 LYS A 31 67.762 -5.752 12.873 1.00 2.29 H new ATOM 0 HZ3 LYS A 31 66.805 -4.397 12.513 1.00 2.29 H new ATOM 134 N VAL A 32 71.548 -2.270 6.343 1.00 0.09 N ATOM 135 CA VAL A 32 72.681 -1.418 5.972 1.00 0.09 C ATOM 136 C VAL A 32 72.433 0.041 6.357 1.00 0.08 C ATOM 137 O VAL A 32 71.355 0.588 6.126 1.00 0.08 O ATOM 138 CB VAL A 32 72.939 -1.528 4.464 1.00 0.10 C ATOM 139 CG1 VAL A 32 74.171 -0.705 4.071 1.00 0.12 C ATOM 140 CG2 VAL A 32 73.194 -2.992 4.094 1.00 0.11 C ATOM 0 H VAL A 32 70.631 -1.872 6.142 1.00 0.09 H new ATOM 0 HA VAL A 32 73.559 -1.762 6.519 1.00 0.09 H new ATOM 0 HB VAL A 32 72.064 -1.149 3.935 1.00 0.10 H new ATOM 0 HG11 VAL A 32 74.341 -0.794 2.998 1.00 0.12 H new ATOM 0 HG12 VAL A 32 74.006 0.342 4.327 1.00 0.12 H new ATOM 0 HG13 VAL A 32 75.044 -1.077 4.608 1.00 0.12 H new ATOM 0 HG21 VAL A 32 73.377 -3.070 3.022 1.00 0.11 H new ATOM 0 HG22 VAL A 32 74.064 -3.359 4.639 1.00 0.11 H new ATOM 0 HG23 VAL A 32 72.322 -3.591 4.357 1.00 0.11 H new ATOM 150 N ASP A 33 73.454 0.654 6.950 1.00 0.09 N ATOM 151 CA ASP A 33 73.423 2.075 7.284 1.00 0.08 C ATOM 152 C ASP A 33 73.635 2.934 6.038 1.00 0.08 C ATOM 153 O ASP A 33 74.343 2.538 5.111 1.00 0.10 O ATOM 154 CB ASP A 33 74.516 2.375 8.315 1.00 0.11 C ATOM 155 CG ASP A 33 74.246 1.621 9.616 1.00 0.74 C ATOM 156 OD1 ASP A 33 73.087 1.403 9.930 1.00 1.59 O ATOM 157 OD2 ASP A 33 75.206 1.271 10.281 1.00 0.47 O ATOM 0 H ASP A 33 74.321 0.184 7.211 1.00 0.09 H new ATOM 0 HA ASP A 33 72.445 2.316 7.700 1.00 0.08 H new ATOM 0 HB2 ASP A 33 75.489 2.087 7.916 1.00 0.11 H new ATOM 0 HB3 ASP A 33 74.556 3.447 8.510 1.00 0.11 H new ATOM 162 N TYR A 34 73.026 4.119 6.013 1.00 0.08 N ATOM 163 CA TYR A 34 73.175 5.033 4.881 1.00 0.09 C ATOM 164 C TYR A 34 74.655 5.293 4.575 1.00 0.11 C ATOM 165 O TYR A 34 75.048 5.359 3.409 1.00 0.13 O ATOM 166 CB TYR A 34 72.439 6.341 5.209 1.00 0.10 C ATOM 167 CG TYR A 34 72.703 7.500 4.267 1.00 0.15 C ATOM 168 CD1 TYR A 34 72.539 7.351 2.885 1.00 0.19 C ATOM 169 CD2 TYR A 34 73.126 8.727 4.792 1.00 0.18 C ATOM 170 CE1 TYR A 34 72.801 8.430 2.029 1.00 0.24 C ATOM 171 CE2 TYR A 34 73.383 9.805 3.939 1.00 0.24 C ATOM 172 CZ TYR A 34 73.220 9.658 2.557 1.00 0.27 C ATOM 173 OH TYR A 34 73.493 10.722 1.716 1.00 0.32 O ATOM 0 H TYR A 34 72.427 4.468 6.761 1.00 0.08 H new ATOM 0 HA TYR A 34 72.740 4.584 3.988 1.00 0.09 H new ATOM 0 HB2 TYR A 34 71.368 6.141 5.217 1.00 0.10 H new ATOM 0 HB3 TYR A 34 72.714 6.648 6.218 1.00 0.10 H new ATOM 0 HD1 TYR A 34 72.211 6.406 2.478 1.00 0.19 H new ATOM 0 HD2 TYR A 34 73.254 8.841 5.858 1.00 0.18 H new ATOM 0 HE1 TYR A 34 72.680 8.314 0.962 1.00 0.24 H new ATOM 0 HE2 TYR A 34 73.707 10.751 4.347 1.00 0.24 H new ATOM 0 HH TYR A 34 72.738 10.860 1.107 1.00 0.32 H new ATOM 183 N SER A 35 75.477 5.405 5.614 1.00 0.13 N ATOM 184 CA SER A 35 76.902 5.659 5.417 1.00 0.16 C ATOM 185 C SER A 35 77.535 4.542 4.591 1.00 0.16 C ATOM 186 O SER A 35 78.280 4.793 3.641 1.00 0.17 O ATOM 187 CB SER A 35 77.607 5.754 6.771 1.00 0.18 C ATOM 188 OG SER A 35 76.951 6.729 7.571 1.00 1.24 O ATOM 0 H SER A 35 75.187 5.325 6.589 1.00 0.13 H new ATOM 0 HA SER A 35 77.014 6.602 4.882 1.00 0.16 H new ATOM 0 HB2 SER A 35 77.592 4.786 7.271 1.00 0.18 H new ATOM 0 HB3 SER A 35 78.654 6.025 6.632 1.00 0.18 H new ATOM 0 HG SER A 35 77.398 6.793 8.441 1.00 1.24 H new ATOM 194 N THR A 36 77.194 3.304 4.931 1.00 0.15 N ATOM 195 CA THR A 36 77.762 2.156 4.232 1.00 0.16 C ATOM 196 C THR A 36 77.343 2.160 2.765 1.00 0.15 C ATOM 197 O THR A 36 78.149 1.871 1.880 1.00 0.17 O ATOM 198 CB THR A 36 77.315 0.852 4.897 1.00 0.16 C ATOM 199 OG1 THR A 36 77.622 0.900 6.283 1.00 0.18 O ATOM 200 CG2 THR A 36 78.046 -0.328 4.252 1.00 0.18 C ATOM 0 H THR A 36 76.537 3.071 5.675 1.00 0.15 H new ATOM 0 HA THR A 36 78.848 2.227 4.287 1.00 0.16 H new ATOM 0 HB THR A 36 76.240 0.727 4.766 1.00 0.16 H new ATOM 0 HG1 THR A 36 77.335 0.066 6.711 1.00 0.18 H new ATOM 0 HG21 THR A 36 77.727 -1.256 4.726 1.00 0.18 H new ATOM 0 HG22 THR A 36 77.811 -0.364 3.188 1.00 0.18 H new ATOM 0 HG23 THR A 36 79.121 -0.205 4.382 1.00 0.18 H new ATOM 208 N PHE A 37 76.089 2.525 2.504 1.00 0.13 N ATOM 209 CA PHE A 37 75.595 2.567 1.133 1.00 0.14 C ATOM 210 C PHE A 37 76.438 3.517 0.287 1.00 0.16 C ATOM 211 O PHE A 37 76.818 3.173 -0.831 1.00 0.17 O ATOM 212 CB PHE A 37 74.129 3.019 1.124 1.00 0.14 C ATOM 213 CG PHE A 37 73.544 3.190 -0.262 1.00 0.17 C ATOM 214 CD1 PHE A 37 72.928 2.113 -0.910 1.00 0.33 C ATOM 215 CD2 PHE A 37 73.634 4.432 -0.902 1.00 0.17 C ATOM 216 CE1 PHE A 37 72.402 2.281 -2.197 1.00 0.37 C ATOM 217 CE2 PHE A 37 73.109 4.599 -2.187 1.00 0.18 C ATOM 218 CZ PHE A 37 72.493 3.523 -2.836 1.00 0.25 C ATOM 0 H PHE A 37 75.407 2.792 3.214 1.00 0.13 H new ATOM 0 HA PHE A 37 75.667 1.567 0.705 1.00 0.14 H new ATOM 0 HB2 PHE A 37 73.532 2.290 1.672 1.00 0.14 H new ATOM 0 HB3 PHE A 37 74.048 3.965 1.660 1.00 0.14 H new ATOM 0 HD1 PHE A 37 72.858 1.154 -0.418 1.00 0.33 H new ATOM 0 HD2 PHE A 37 74.110 5.263 -0.402 1.00 0.17 H new ATOM 0 HE1 PHE A 37 71.925 1.451 -2.697 1.00 0.37 H new ATOM 0 HE2 PHE A 37 73.179 5.558 -2.679 1.00 0.18 H new ATOM 0 HZ PHE A 37 72.088 3.651 -3.829 1.00 0.25 H new ATOM 228 N LEU A 38 76.771 4.683 0.833 1.00 0.17 N ATOM 229 CA LEU A 38 77.520 5.674 0.067 1.00 0.21 C ATOM 230 C LEU A 38 78.869 5.116 -0.364 1.00 0.23 C ATOM 231 O LEU A 38 79.288 5.304 -1.507 1.00 0.25 O ATOM 232 CB LEU A 38 77.739 6.932 0.908 1.00 0.22 C ATOM 233 CG LEU A 38 76.389 7.563 1.255 1.00 0.21 C ATOM 234 CD1 LEU A 38 76.598 8.702 2.258 1.00 0.23 C ATOM 235 CD2 LEU A 38 75.746 8.116 -0.020 1.00 0.23 C ATOM 0 H LEU A 38 76.539 4.962 1.786 1.00 0.17 H new ATOM 0 HA LEU A 38 76.941 5.924 -0.822 1.00 0.21 H new ATOM 0 HB2 LEU A 38 78.279 6.681 1.821 1.00 0.22 H new ATOM 0 HB3 LEU A 38 78.354 7.645 0.359 1.00 0.22 H new ATOM 0 HG LEU A 38 75.737 6.809 1.696 1.00 0.21 H new ATOM 0 HD11 LEU A 38 75.636 9.151 2.505 1.00 0.23 H new ATOM 0 HD12 LEU A 38 77.058 8.309 3.165 1.00 0.23 H new ATOM 0 HD13 LEU A 38 77.249 9.458 1.819 1.00 0.23 H new ATOM 0 HD21 LEU A 38 74.784 8.566 0.224 1.00 0.23 H new ATOM 0 HD22 LEU A 38 76.399 8.870 -0.459 1.00 0.23 H new ATOM 0 HD23 LEU A 38 75.597 7.305 -0.733 1.00 0.23 H new ATOM 247 N GLN A 39 79.531 4.404 0.541 1.00 0.23 N ATOM 248 CA GLN A 39 80.827 3.815 0.217 1.00 0.26 C ATOM 249 C GLN A 39 80.695 2.827 -0.939 1.00 0.24 C ATOM 250 O GLN A 39 81.509 2.819 -1.863 1.00 0.28 O ATOM 251 CB GLN A 39 81.406 3.104 1.442 1.00 0.27 C ATOM 252 CG GLN A 39 82.831 2.637 1.135 1.00 0.31 C ATOM 253 CD GLN A 39 83.357 1.785 2.284 1.00 0.67 C ATOM 254 OE1 GLN A 39 82.767 0.758 2.618 1.00 1.05 O ATOM 255 NE2 GLN A 39 84.441 2.151 2.911 1.00 1.10 N ATOM 0 H GLN A 39 79.200 4.222 1.489 1.00 0.23 H new ATOM 0 HA GLN A 39 81.501 4.617 -0.083 1.00 0.26 H new ATOM 0 HB2 GLN A 39 81.409 3.778 2.299 1.00 0.27 H new ATOM 0 HB3 GLN A 39 80.782 2.251 1.709 1.00 0.27 H new ATOM 0 HG2 GLN A 39 82.843 2.062 0.209 1.00 0.31 H new ATOM 0 HG3 GLN A 39 83.481 3.499 0.983 1.00 0.31 H new ATOM 0 HE21 GLN A 39 84.928 3.003 2.632 1.00 1.10 H new ATOM 0 HE22 GLN A 39 84.801 1.586 3.680 1.00 1.10 H new ATOM 264 N GLU A 40 79.640 2.023 -0.909 1.00 0.21 N ATOM 265 CA GLU A 40 79.437 1.007 -1.935 1.00 0.21 C ATOM 266 C GLU A 40 79.215 1.637 -3.308 1.00 0.21 C ATOM 267 O GLU A 40 79.685 1.115 -4.320 1.00 0.23 O ATOM 268 CB GLU A 40 78.244 0.131 -1.553 1.00 0.18 C ATOM 269 CG GLU A 40 78.579 -0.620 -0.258 1.00 0.97 C ATOM 270 CD GLU A 40 77.458 -1.576 0.156 1.00 1.58 C ATOM 271 OE1 GLU A 40 76.383 -1.516 -0.419 1.00 1.63 O ATOM 272 OE2 GLU A 40 77.695 -2.363 1.058 1.00 2.35 O ATOM 0 H GLU A 40 78.916 2.053 -0.191 1.00 0.21 H new ATOM 0 HA GLU A 40 80.336 0.394 -1.997 1.00 0.21 H new ATOM 0 HB2 GLU A 40 77.354 0.745 -1.414 1.00 0.18 H new ATOM 0 HB3 GLU A 40 78.023 -0.576 -2.353 1.00 0.18 H new ATOM 0 HG2 GLU A 40 79.503 -1.182 -0.393 1.00 0.97 H new ATOM 0 HG3 GLU A 40 78.757 0.098 0.542 1.00 0.97 H new ATOM 279 N VAL A 41 78.472 2.742 -3.343 1.00 0.20 N ATOM 280 CA VAL A 41 78.278 3.469 -4.593 1.00 0.24 C ATOM 281 C VAL A 41 79.630 3.928 -5.143 1.00 0.28 C ATOM 282 O VAL A 41 79.918 3.749 -6.324 1.00 0.31 O ATOM 283 CB VAL A 41 77.351 4.674 -4.356 1.00 0.25 C ATOM 284 CG1 VAL A 41 77.166 5.476 -5.650 1.00 0.30 C ATOM 285 CG2 VAL A 41 75.985 4.172 -3.881 1.00 0.22 C ATOM 0 H VAL A 41 78.002 3.147 -2.534 1.00 0.20 H new ATOM 0 HA VAL A 41 77.812 2.811 -5.326 1.00 0.24 H new ATOM 0 HB VAL A 41 77.801 5.319 -3.602 1.00 0.25 H new ATOM 0 HG11 VAL A 41 76.507 6.324 -5.462 1.00 0.30 H new ATOM 0 HG12 VAL A 41 78.134 5.838 -5.995 1.00 0.30 H new ATOM 0 HG13 VAL A 41 76.725 4.837 -6.414 1.00 0.30 H new ATOM 0 HG21 VAL A 41 75.324 5.022 -3.711 1.00 0.22 H new ATOM 0 HG22 VAL A 41 75.552 3.521 -4.641 1.00 0.22 H new ATOM 0 HG23 VAL A 41 76.105 3.615 -2.952 1.00 0.22 H new ATOM 295 N ASN A 42 80.464 4.491 -4.278 1.00 0.30 N ATOM 296 CA ASN A 42 81.796 4.933 -4.691 1.00 0.35 C ATOM 297 C ASN A 42 82.612 3.780 -5.278 1.00 0.36 C ATOM 298 O ASN A 42 83.421 3.982 -6.183 1.00 0.41 O ATOM 299 CB ASN A 42 82.533 5.538 -3.494 1.00 0.36 C ATOM 300 CG ASN A 42 81.797 6.783 -3.012 1.00 0.37 C ATOM 301 OD1 ASN A 42 81.447 7.648 -3.816 1.00 0.41 O ATOM 302 ND2 ASN A 42 81.532 6.927 -1.742 1.00 0.33 N ATOM 0 H ASN A 42 80.248 4.653 -3.294 1.00 0.30 H new ATOM 0 HA ASN A 42 81.677 5.688 -5.469 1.00 0.35 H new ATOM 0 HB2 ASN A 42 82.598 4.807 -2.688 1.00 0.36 H new ATOM 0 HB3 ASN A 42 83.555 5.794 -3.775 1.00 0.36 H new ATOM 0 HD21 ASN A 42 81.035 7.756 -1.415 1.00 0.33 H new ATOM 0 HD22 ASN A 42 81.822 6.211 -1.076 1.00 0.33 H new ATOM 309 N ASN A 43 82.397 2.573 -4.762 1.00 0.33 N ATOM 310 CA ASN A 43 83.098 1.387 -5.261 1.00 0.35 C ATOM 311 C ASN A 43 82.432 0.761 -6.496 1.00 0.33 C ATOM 312 O ASN A 43 82.834 -0.320 -6.926 1.00 0.34 O ATOM 313 CB ASN A 43 83.188 0.338 -4.152 1.00 0.33 C ATOM 314 CG ASN A 43 83.995 0.884 -2.979 1.00 0.36 C ATOM 315 OD1 ASN A 43 84.907 1.687 -3.172 1.00 0.40 O ATOM 316 ND2 ASN A 43 83.710 0.496 -1.766 1.00 0.35 N ATOM 0 H ASN A 43 81.745 2.387 -4.000 1.00 0.33 H new ATOM 0 HA ASN A 43 84.091 1.718 -5.566 1.00 0.35 H new ATOM 0 HB2 ASN A 43 82.187 0.063 -3.819 1.00 0.33 H new ATOM 0 HB3 ASN A 43 83.656 -0.569 -4.535 1.00 0.33 H new ATOM 0 HD21 ASN A 43 84.244 0.859 -0.976 1.00 0.35 H new ATOM 0 HD22 ASN A 43 82.954 -0.170 -1.608 1.00 0.35 H new ATOM 323 N ASP A 44 81.415 1.415 -7.061 1.00 0.31 N ATOM 324 CA ASP A 44 80.730 0.911 -8.248 1.00 0.30 C ATOM 325 C ASP A 44 80.310 -0.551 -8.084 1.00 0.26 C ATOM 326 O ASP A 44 80.320 -1.319 -9.048 1.00 0.27 O ATOM 327 CB ASP A 44 81.645 1.056 -9.466 1.00 0.36 C ATOM 328 CG ASP A 44 80.866 0.766 -10.745 1.00 0.37 C ATOM 329 OD1 ASP A 44 80.156 1.649 -11.196 1.00 0.68 O ATOM 330 OD2 ASP A 44 80.997 -0.333 -11.259 1.00 0.74 O ATOM 0 H ASP A 44 81.048 2.300 -6.711 1.00 0.31 H new ATOM 0 HA ASP A 44 79.824 1.500 -8.390 1.00 0.30 H new ATOM 0 HB2 ASP A 44 82.057 2.064 -9.503 1.00 0.36 H new ATOM 0 HB3 ASP A 44 82.488 0.370 -9.381 1.00 0.36 H new ATOM 335 N GLN A 45 79.936 -0.934 -6.866 1.00 0.23 N ATOM 336 CA GLN A 45 79.440 -2.289 -6.626 1.00 0.22 C ATOM 337 C GLN A 45 77.915 -2.382 -6.763 1.00 0.17 C ATOM 338 O GLN A 45 77.386 -3.458 -7.043 1.00 0.17 O ATOM 339 CB GLN A 45 79.884 -2.783 -5.243 1.00 0.26 C ATOM 340 CG GLN A 45 81.414 -2.843 -5.178 1.00 0.32 C ATOM 341 CD GLN A 45 81.959 -3.816 -6.222 1.00 0.62 C ATOM 342 OE1 GLN A 45 81.569 -4.984 -6.248 1.00 0.99 O ATOM 343 NE2 GLN A 45 82.825 -3.395 -7.102 1.00 0.66 N ATOM 0 H GLN A 45 79.965 -0.336 -6.040 1.00 0.23 H new ATOM 0 HA GLN A 45 79.873 -2.932 -7.392 1.00 0.22 H new ATOM 0 HB2 GLN A 45 79.504 -2.116 -4.469 1.00 0.26 H new ATOM 0 HB3 GLN A 45 79.464 -3.770 -5.047 1.00 0.26 H new ATOM 0 HG2 GLN A 45 81.830 -1.850 -5.347 1.00 0.32 H new ATOM 0 HG3 GLN A 45 81.729 -3.155 -4.182 1.00 0.32 H new ATOM 0 HE21 GLN A 45 83.147 -2.427 -7.079 1.00 0.66 H new ATOM 0 HE22 GLN A 45 83.181 -4.034 -7.814 1.00 0.66 H new ATOM 352 N VAL A 46 77.206 -1.271 -6.561 1.00 0.16 N ATOM 353 CA VAL A 46 75.748 -1.267 -6.664 1.00 0.14 C ATOM 354 C VAL A 46 75.323 -1.182 -8.128 1.00 0.14 C ATOM 355 O VAL A 46 75.968 -0.494 -8.919 1.00 0.16 O ATOM 356 CB VAL A 46 75.162 -0.077 -5.892 1.00 0.17 C ATOM 357 CG1 VAL A 46 73.635 -0.165 -5.895 1.00 0.19 C ATOM 358 CG2 VAL A 46 75.660 -0.084 -4.441 1.00 0.18 C ATOM 0 H VAL A 46 77.616 -0.367 -6.326 1.00 0.16 H new ATOM 0 HA VAL A 46 75.370 -2.194 -6.233 1.00 0.14 H new ATOM 0 HB VAL A 46 75.483 0.845 -6.377 1.00 0.17 H new ATOM 0 HG11 VAL A 46 73.221 0.681 -5.346 1.00 0.19 H new ATOM 0 HG12 VAL A 46 73.271 -0.144 -6.922 1.00 0.19 H new ATOM 0 HG13 VAL A 46 73.323 -1.094 -5.418 1.00 0.19 H new ATOM 0 HG21 VAL A 46 75.236 0.766 -3.907 1.00 0.18 H new ATOM 0 HG22 VAL A 46 75.351 -1.009 -3.955 1.00 0.18 H new ATOM 0 HG23 VAL A 46 76.748 -0.014 -4.429 1.00 0.18 H new ATOM 368 N ARG A 47 74.243 -1.876 -8.498 1.00 0.13 N ATOM 369 CA ARG A 47 73.726 -1.791 -9.869 1.00 0.15 C ATOM 370 C ARG A 47 72.332 -1.162 -9.905 1.00 0.15 C ATOM 371 O ARG A 47 72.028 -0.366 -10.795 1.00 0.17 O ATOM 372 CB ARG A 47 73.695 -3.176 -10.536 1.00 0.15 C ATOM 373 CG ARG A 47 72.688 -4.105 -9.851 1.00 0.17 C ATOM 374 CD ARG A 47 72.786 -5.503 -10.463 1.00 0.18 C ATOM 375 NE ARG A 47 71.746 -6.377 -9.912 1.00 0.21 N ATOM 376 CZ ARG A 47 71.862 -7.711 -9.843 1.00 1.11 C ATOM 377 NH1 ARG A 47 72.932 -8.344 -10.263 1.00 2.22 N ATOM 378 NH2 ARG A 47 70.877 -8.405 -9.342 1.00 1.07 N ATOM 0 H ARG A 47 73.716 -2.493 -7.880 1.00 0.13 H new ATOM 0 HA ARG A 47 74.406 -1.148 -10.429 1.00 0.15 H new ATOM 0 HB2 ARG A 47 73.435 -3.068 -11.589 1.00 0.15 H new ATOM 0 HB3 ARG A 47 74.689 -3.622 -10.497 1.00 0.15 H new ATOM 0 HG2 ARG A 47 72.888 -4.150 -8.781 1.00 0.17 H new ATOM 0 HG3 ARG A 47 71.677 -3.714 -9.970 1.00 0.17 H new ATOM 0 HD2 ARG A 47 72.681 -5.441 -11.546 1.00 0.18 H new ATOM 0 HD3 ARG A 47 73.770 -5.927 -10.262 1.00 0.18 H new ATOM 0 HE ARG A 47 70.889 -5.948 -9.563 1.00 0.21 H new ATOM 0 HH11 ARG A 47 73.712 -7.820 -10.659 1.00 2.22 H new ATOM 0 HH12 ARG A 47 72.983 -9.360 -10.194 1.00 2.22 H new ATOM 0 HH21 ARG A 47 70.036 -7.932 -9.011 1.00 1.07 H new ATOM 0 HH22 ARG A 47 70.948 -9.421 -9.282 1.00 1.07 H new ATOM 392 N GLU A 48 71.483 -1.529 -8.946 1.00 0.14 N ATOM 393 CA GLU A 48 70.098 -1.052 -8.942 1.00 0.14 C ATOM 394 C GLU A 48 69.709 -0.477 -7.583 1.00 0.13 C ATOM 395 O GLU A 48 70.018 -1.059 -6.544 1.00 0.18 O ATOM 396 CB GLU A 48 69.161 -2.211 -9.291 1.00 0.16 C ATOM 397 CG GLU A 48 67.727 -1.688 -9.449 1.00 0.17 C ATOM 398 CD GLU A 48 66.730 -2.821 -9.716 1.00 0.61 C ATOM 399 OE1 GLU A 48 67.129 -3.976 -9.746 1.00 1.08 O ATOM 400 OE2 GLU A 48 65.564 -2.510 -9.890 1.00 0.59 O ATOM 0 H GLU A 48 71.724 -2.147 -8.171 1.00 0.14 H new ATOM 0 HA GLU A 48 70.010 -0.258 -9.684 1.00 0.14 H new ATOM 0 HB2 GLU A 48 69.487 -2.690 -10.214 1.00 0.16 H new ATOM 0 HB3 GLU A 48 69.198 -2.969 -8.509 1.00 0.16 H new ATOM 0 HG2 GLU A 48 67.434 -1.153 -8.546 1.00 0.17 H new ATOM 0 HG3 GLU A 48 67.690 -0.972 -10.270 1.00 0.17 H new ATOM 407 N ALA A 49 68.996 0.649 -7.602 1.00 0.12 N ATOM 408 CA ALA A 49 68.510 1.264 -6.370 1.00 0.13 C ATOM 409 C ALA A 49 67.059 1.720 -6.521 1.00 0.11 C ATOM 410 O ALA A 49 66.740 2.588 -7.335 1.00 0.12 O ATOM 411 CB ALA A 49 69.388 2.460 -6.002 1.00 0.18 C ATOM 0 H ALA A 49 68.744 1.151 -8.453 1.00 0.12 H new ATOM 0 HA ALA A 49 68.558 0.518 -5.577 1.00 0.13 H new ATOM 0 HB1 ALA A 49 69.019 2.913 -5.082 1.00 0.18 H new ATOM 0 HB2 ALA A 49 70.415 2.126 -5.855 1.00 0.18 H new ATOM 0 HB3 ALA A 49 69.357 3.195 -6.806 1.00 0.18 H new ATOM 417 N ARG A 50 66.176 1.101 -5.744 1.00 0.12 N ATOM 418 CA ARG A 50 64.771 1.494 -5.716 1.00 0.13 C ATOM 419 C ARG A 50 64.506 2.442 -4.549 1.00 0.16 C ATOM 420 O ARG A 50 64.958 2.192 -3.433 1.00 0.21 O ATOM 421 CB ARG A 50 63.897 0.249 -5.554 1.00 0.16 C ATOM 422 CG ARG A 50 64.010 -0.628 -6.802 1.00 0.16 C ATOM 423 CD ARG A 50 63.044 -1.810 -6.690 1.00 0.22 C ATOM 424 NE ARG A 50 63.318 -2.580 -5.473 1.00 1.33 N ATOM 425 CZ ARG A 50 62.606 -3.655 -5.100 1.00 2.05 C ATOM 426 NH1 ARG A 50 61.594 -4.101 -5.805 1.00 2.44 N ATOM 427 NH2 ARG A 50 62.930 -4.276 -3.999 1.00 2.82 N ATOM 0 H ARG A 50 66.408 0.325 -5.125 1.00 0.12 H new ATOM 0 HA ARG A 50 64.532 2.002 -6.650 1.00 0.13 H new ATOM 0 HB2 ARG A 50 64.208 -0.313 -4.674 1.00 0.16 H new ATOM 0 HB3 ARG A 50 62.859 0.540 -5.396 1.00 0.16 H new ATOM 0 HG2 ARG A 50 63.781 -0.042 -7.692 1.00 0.16 H new ATOM 0 HG3 ARG A 50 65.032 -0.990 -6.913 1.00 0.16 H new ATOM 0 HD2 ARG A 50 62.016 -1.448 -6.675 1.00 0.22 H new ATOM 0 HD3 ARG A 50 63.143 -2.453 -7.565 1.00 0.22 H new ATOM 0 HE ARG A 50 64.091 -2.283 -4.878 1.00 1.33 H new ATOM 0 HH11 ARG A 50 61.325 -3.628 -6.668 1.00 2.44 H new ATOM 0 HH12 ARG A 50 61.076 -4.921 -5.491 1.00 2.44 H new ATOM 0 HH21 ARG A 50 63.713 -3.943 -3.437 1.00 2.82 H new ATOM 0 HH22 ARG A 50 62.400 -5.095 -3.700 1.00 2.82 H new ATOM 441 N ILE A 51 63.726 3.491 -4.791 1.00 0.16 N ATOM 442 CA ILE A 51 63.375 4.443 -3.739 1.00 0.18 C ATOM 443 C ILE A 51 61.892 4.325 -3.385 1.00 0.13 C ATOM 444 O ILE A 51 61.025 4.493 -4.243 1.00 0.19 O ATOM 445 CB ILE A 51 63.684 5.871 -4.215 1.00 0.30 C ATOM 446 CG1 ILE A 51 65.166 5.979 -4.587 1.00 0.41 C ATOM 447 CG2 ILE A 51 63.372 6.881 -3.106 1.00 0.34 C ATOM 448 CD1 ILE A 51 65.434 7.331 -5.251 1.00 0.56 C ATOM 0 H ILE A 51 63.325 3.704 -5.704 1.00 0.16 H new ATOM 0 HA ILE A 51 63.964 4.219 -2.850 1.00 0.18 H new ATOM 0 HB ILE A 51 63.065 6.091 -5.085 1.00 0.30 H new ATOM 0 HG12 ILE A 51 65.783 5.872 -3.695 1.00 0.41 H new ATOM 0 HG13 ILE A 51 65.441 5.170 -5.264 1.00 0.41 H new ATOM 0 HG21 ILE A 51 63.596 7.888 -3.458 1.00 0.34 H new ATOM 0 HG22 ILE A 51 62.317 6.815 -2.840 1.00 0.34 H new ATOM 0 HG23 ILE A 51 63.981 6.659 -2.230 1.00 0.34 H new ATOM 0 HD11 ILE A 51 66.489 7.404 -5.514 1.00 0.56 H new ATOM 0 HD12 ILE A 51 64.828 7.420 -6.153 1.00 0.56 H new ATOM 0 HD13 ILE A 51 65.176 8.133 -4.560 1.00 0.56 H new ATOM 460 N ASN A 52 61.610 4.085 -2.108 1.00 0.17 N ATOM 461 CA ASN A 52 60.235 4.016 -1.633 1.00 0.18 C ATOM 462 C ASN A 52 60.131 4.646 -0.248 1.00 0.16 C ATOM 463 O ASN A 52 60.515 4.042 0.753 1.00 0.16 O ATOM 464 CB ASN A 52 59.775 2.558 -1.571 1.00 0.25 C ATOM 465 CG ASN A 52 58.259 2.494 -1.414 1.00 0.34 C ATOM 466 OD1 ASN A 52 57.525 2.925 -2.303 1.00 0.88 O ATOM 467 ND2 ASN A 52 57.743 1.978 -0.332 1.00 0.76 N ATOM 0 H ASN A 52 62.315 3.936 -1.386 1.00 0.17 H new ATOM 0 HA ASN A 52 59.595 4.564 -2.325 1.00 0.18 H new ATOM 0 HB2 ASN A 52 60.077 2.034 -2.478 1.00 0.25 H new ATOM 0 HB3 ASN A 52 60.257 2.052 -0.735 1.00 0.25 H new ATOM 0 HD21 ASN A 52 56.730 1.931 -0.222 1.00 0.76 H new ATOM 0 HD22 ASN A 52 58.353 1.621 0.404 1.00 0.76 H new ATOM 474 N GLY A 53 59.644 5.882 -0.200 1.00 0.17 N ATOM 475 CA GLY A 53 59.486 6.573 1.073 1.00 0.19 C ATOM 476 C GLY A 53 60.834 6.768 1.758 1.00 0.19 C ATOM 477 O GLY A 53 61.794 7.234 1.144 1.00 0.21 O ATOM 0 H GLY A 53 59.355 6.419 -1.017 1.00 0.17 H new ATOM 0 HA2 GLY A 53 59.013 7.542 0.909 1.00 0.19 H new ATOM 0 HA3 GLY A 53 58.823 6.001 1.722 1.00 0.19 H new ATOM 481 N ARG A 54 60.895 6.408 3.035 1.00 0.19 N ATOM 482 CA ARG A 54 62.123 6.566 3.815 1.00 0.20 C ATOM 483 C ARG A 54 63.152 5.464 3.520 1.00 0.20 C ATOM 484 O ARG A 54 64.315 5.595 3.902 1.00 0.21 O ATOM 485 CB ARG A 54 61.793 6.525 5.309 1.00 0.22 C ATOM 486 CG ARG A 54 62.897 7.201 6.124 1.00 0.24 C ATOM 487 CD ARG A 54 62.741 8.721 6.033 1.00 0.27 C ATOM 488 NE ARG A 54 63.811 9.382 6.781 1.00 0.25 N ATOM 489 CZ ARG A 54 63.816 10.694 7.063 1.00 0.38 C ATOM 490 NH1 ARG A 54 62.855 11.497 6.673 1.00 0.62 N ATOM 491 NH2 ARG A 54 64.809 11.189 7.748 1.00 0.41 N ATOM 0 H ARG A 54 60.114 6.006 3.553 1.00 0.19 H new ATOM 0 HA ARG A 54 62.556 7.525 3.532 1.00 0.20 H new ATOM 0 HB2 ARG A 54 60.842 7.025 5.490 1.00 0.22 H new ATOM 0 HB3 ARG A 54 61.676 5.491 5.633 1.00 0.22 H new ATOM 0 HG2 ARG A 54 62.843 6.881 7.165 1.00 0.24 H new ATOM 0 HG3 ARG A 54 63.876 6.902 5.749 1.00 0.24 H new ATOM 0 HD2 ARG A 54 62.768 9.035 4.990 1.00 0.27 H new ATOM 0 HD3 ARG A 54 61.771 9.019 6.431 1.00 0.27 H new ATOM 0 HE ARG A 54 64.595 8.815 7.105 1.00 0.25 H new ATOM 0 HH11 ARG A 54 62.069 11.129 6.136 1.00 0.62 H new ATOM 0 HH12 ARG A 54 62.893 12.489 6.906 1.00 0.62 H new ATOM 0 HH21 ARG A 54 65.566 10.581 8.061 1.00 0.41 H new ATOM 0 HH22 ARG A 54 64.829 12.184 7.971 1.00 0.41 H new ATOM 505 N GLU A 55 62.734 4.371 2.877 1.00 0.21 N ATOM 506 CA GLU A 55 63.610 3.220 2.693 1.00 0.23 C ATOM 507 C GLU A 55 64.051 3.094 1.241 1.00 0.21 C ATOM 508 O GLU A 55 63.295 3.395 0.319 1.00 0.23 O ATOM 509 CB GLU A 55 62.866 1.946 3.096 1.00 0.25 C ATOM 510 CG GLU A 55 62.467 2.026 4.574 1.00 0.93 C ATOM 511 CD GLU A 55 61.791 0.737 5.052 1.00 1.83 C ATOM 512 OE1 GLU A 55 61.471 -0.112 4.231 1.00 2.29 O ATOM 513 OE2 GLU A 55 61.595 0.617 6.249 1.00 2.44 O ATOM 0 H GLU A 55 61.801 4.262 2.479 1.00 0.21 H new ATOM 0 HA GLU A 55 64.493 3.360 3.317 1.00 0.23 H new ATOM 0 HB2 GLU A 55 61.978 1.820 2.476 1.00 0.25 H new ATOM 0 HB3 GLU A 55 63.499 1.075 2.927 1.00 0.25 H new ATOM 0 HG2 GLU A 55 63.353 2.218 5.180 1.00 0.93 H new ATOM 0 HG3 GLU A 55 61.791 2.868 4.723 1.00 0.93 H new ATOM 520 N ILE A 56 65.289 2.659 1.047 1.00 0.18 N ATOM 521 CA ILE A 56 65.795 2.354 -0.287 1.00 0.17 C ATOM 522 C ILE A 56 66.164 0.877 -0.351 1.00 0.15 C ATOM 523 O ILE A 56 66.884 0.378 0.513 1.00 0.13 O ATOM 524 CB ILE A 56 67.032 3.208 -0.594 1.00 0.18 C ATOM 525 CG1 ILE A 56 66.685 4.693 -0.447 1.00 0.20 C ATOM 526 CG2 ILE A 56 67.503 2.944 -2.028 1.00 0.18 C ATOM 527 CD1 ILE A 56 67.955 5.534 -0.589 1.00 0.22 C ATOM 0 H ILE A 56 65.963 2.509 1.797 1.00 0.18 H new ATOM 0 HA ILE A 56 65.025 2.578 -1.025 1.00 0.17 H new ATOM 0 HB ILE A 56 67.825 2.945 0.106 1.00 0.18 H new ATOM 0 HG12 ILE A 56 65.958 4.984 -1.205 1.00 0.20 H new ATOM 0 HG13 ILE A 56 66.223 4.874 0.524 1.00 0.20 H new ATOM 0 HG21 ILE A 56 68.382 3.553 -2.240 1.00 0.18 H new ATOM 0 HG22 ILE A 56 67.757 1.890 -2.139 1.00 0.18 H new ATOM 0 HG23 ILE A 56 66.706 3.201 -2.726 1.00 0.18 H new ATOM 0 HD11 ILE A 56 67.706 6.590 -0.484 1.00 0.22 H new ATOM 0 HD12 ILE A 56 68.668 5.251 0.186 1.00 0.22 H new ATOM 0 HD13 ILE A 56 68.398 5.361 -1.570 1.00 0.22 H new ATOM 539 N ASN A 57 65.672 0.178 -1.369 1.00 0.16 N ATOM 540 CA ASN A 57 66.009 -1.232 -1.543 1.00 0.16 C ATOM 541 C ASN A 57 67.096 -1.348 -2.602 1.00 0.15 C ATOM 542 O ASN A 57 66.975 -0.779 -3.682 1.00 0.17 O ATOM 543 CB ASN A 57 64.774 -2.027 -1.974 1.00 0.19 C ATOM 544 CG ASN A 57 63.731 -2.019 -0.863 1.00 0.24 C ATOM 545 OD1 ASN A 57 62.634 -1.491 -1.042 1.00 1.23 O ATOM 546 ND2 ASN A 57 64.008 -2.583 0.282 1.00 0.96 N ATOM 0 H ASN A 57 65.046 0.558 -2.079 1.00 0.16 H new ATOM 0 HA ASN A 57 66.365 -1.640 -0.597 1.00 0.16 H new ATOM 0 HB2 ASN A 57 64.353 -1.595 -2.882 1.00 0.19 H new ATOM 0 HB3 ASN A 57 65.057 -3.053 -2.210 1.00 0.19 H new ATOM 0 HD21 ASN A 57 63.314 -2.586 1.030 1.00 0.96 H new ATOM 0 HD22 ASN A 57 64.918 -3.020 0.428 1.00 0.96 H new ATOM 553 N VAL A 58 68.155 -2.088 -2.299 1.00 0.14 N ATOM 554 CA VAL A 58 69.347 -2.078 -3.148 1.00 0.13 C ATOM 555 C VAL A 58 69.756 -3.495 -3.539 1.00 0.11 C ATOM 556 O VAL A 58 69.729 -4.411 -2.716 1.00 0.10 O ATOM 557 CB VAL A 58 70.504 -1.404 -2.399 1.00 0.14 C ATOM 558 CG1 VAL A 58 71.724 -1.282 -3.318 1.00 0.15 C ATOM 559 CG2 VAL A 58 70.098 -0.004 -1.924 1.00 0.16 C ATOM 0 H VAL A 58 68.217 -2.697 -1.483 1.00 0.14 H new ATOM 0 HA VAL A 58 69.115 -1.523 -4.057 1.00 0.13 H new ATOM 0 HB VAL A 58 70.752 -2.019 -1.534 1.00 0.14 H new ATOM 0 HG11 VAL A 58 72.540 -0.802 -2.778 1.00 0.15 H new ATOM 0 HG12 VAL A 58 72.037 -2.275 -3.641 1.00 0.15 H new ATOM 0 HG13 VAL A 58 71.464 -0.682 -4.190 1.00 0.15 H new ATOM 0 HG21 VAL A 58 70.932 0.457 -1.395 1.00 0.16 H new ATOM 0 HG22 VAL A 58 69.831 0.609 -2.785 1.00 0.16 H new ATOM 0 HG23 VAL A 58 69.242 -0.081 -1.254 1.00 0.16 H new ATOM 569 N THR A 59 70.146 -3.654 -4.801 1.00 0.12 N ATOM 570 CA THR A 59 70.682 -4.922 -5.286 1.00 0.12 C ATOM 571 C THR A 59 72.097 -4.717 -5.825 1.00 0.14 C ATOM 572 O THR A 59 72.350 -3.791 -6.600 1.00 0.15 O ATOM 573 CB THR A 59 69.787 -5.478 -6.396 1.00 0.15 C ATOM 574 OG1 THR A 59 68.450 -5.564 -5.923 1.00 0.15 O ATOM 575 CG2 THR A 59 70.277 -6.869 -6.801 1.00 0.17 C ATOM 0 H THR A 59 70.101 -2.919 -5.507 1.00 0.12 H new ATOM 0 HA THR A 59 70.711 -5.631 -4.459 1.00 0.12 H new ATOM 0 HB THR A 59 69.826 -4.816 -7.261 1.00 0.15 H new ATOM 0 HG1 THR A 59 67.874 -5.918 -6.632 1.00 0.15 H new ATOM 0 HG21 THR A 59 69.639 -7.264 -7.591 1.00 0.17 H new ATOM 0 HG22 THR A 59 71.303 -6.802 -7.162 1.00 0.17 H new ATOM 0 HG23 THR A 59 70.239 -7.534 -5.938 1.00 0.17 H new ATOM 583 N LYS A 60 73.020 -5.568 -5.385 1.00 0.15 N ATOM 584 CA LYS A 60 74.406 -5.492 -5.833 1.00 0.20 C ATOM 585 C LYS A 60 74.666 -6.380 -7.046 1.00 0.24 C ATOM 586 O LYS A 60 73.904 -7.301 -7.337 1.00 0.24 O ATOM 587 CB LYS A 60 75.336 -5.943 -4.708 1.00 0.21 C ATOM 588 CG LYS A 60 75.255 -4.959 -3.544 1.00 0.87 C ATOM 589 CD LYS A 60 76.270 -5.374 -2.477 1.00 0.89 C ATOM 590 CE LYS A 60 76.130 -4.472 -1.251 1.00 1.70 C ATOM 591 NZ LYS A 60 77.393 -4.510 -0.460 1.00 1.91 N ATOM 0 H LYS A 60 72.833 -6.318 -4.719 1.00 0.15 H new ATOM 0 HA LYS A 60 74.597 -4.455 -6.110 1.00 0.20 H new ATOM 0 HB2 LYS A 60 75.057 -6.942 -4.372 1.00 0.21 H new ATOM 0 HB3 LYS A 60 76.361 -6.004 -5.074 1.00 0.21 H new ATOM 0 HG2 LYS A 60 75.464 -3.947 -3.890 1.00 0.87 H new ATOM 0 HG3 LYS A 60 74.249 -4.952 -3.125 1.00 0.87 H new ATOM 0 HD2 LYS A 60 76.110 -6.415 -2.195 1.00 0.89 H new ATOM 0 HD3 LYS A 60 77.281 -5.305 -2.877 1.00 0.89 H new ATOM 0 HE2 LYS A 60 75.913 -3.450 -1.561 1.00 1.70 H new ATOM 0 HE3 LYS A 60 75.293 -4.803 -0.636 1.00 1.70 H new ATOM 0 HZ1 LYS A 60 77.287 -3.923 0.392 1.00 1.91 H new ATOM 0 HZ2 LYS A 60 77.599 -5.491 -0.182 1.00 1.91 H new ATOM 0 HZ3 LYS A 60 78.176 -4.142 -1.038 1.00 1.91 H new ATOM 605 N LYS A 61 75.784 -6.129 -7.718 1.00 0.31 N ATOM 606 CA LYS A 61 76.209 -6.982 -8.825 1.00 0.36 C ATOM 607 C LYS A 61 76.301 -8.449 -8.398 1.00 0.33 C ATOM 608 O LYS A 61 76.045 -9.347 -9.200 1.00 0.35 O ATOM 609 CB LYS A 61 77.576 -6.522 -9.336 1.00 0.46 C ATOM 610 CG LYS A 61 77.461 -5.110 -9.917 1.00 1.13 C ATOM 611 CD LYS A 61 78.804 -4.697 -10.520 1.00 1.08 C ATOM 612 CE LYS A 61 78.730 -3.243 -10.990 1.00 2.17 C ATOM 613 NZ LYS A 61 80.073 -2.807 -11.466 1.00 2.43 N ATOM 0 H LYS A 61 76.409 -5.348 -7.519 1.00 0.31 H new ATOM 0 HA LYS A 61 75.464 -6.899 -9.616 1.00 0.36 H new ATOM 0 HB2 LYS A 61 78.302 -6.533 -8.523 1.00 0.46 H new ATOM 0 HB3 LYS A 61 77.941 -7.211 -10.098 1.00 0.46 H new ATOM 0 HG2 LYS A 61 76.683 -5.081 -10.680 1.00 1.13 H new ATOM 0 HG3 LYS A 61 77.169 -4.407 -9.137 1.00 1.13 H new ATOM 0 HD2 LYS A 61 79.597 -4.811 -9.780 1.00 1.08 H new ATOM 0 HD3 LYS A 61 79.054 -5.348 -11.358 1.00 1.08 H new ATOM 0 HE2 LYS A 61 77.999 -3.146 -11.792 1.00 2.17 H new ATOM 0 HE3 LYS A 61 78.396 -2.602 -10.174 1.00 2.17 H new ATOM 0 HZ1 LYS A 61 80.390 -1.988 -10.909 1.00 2.43 H new ATOM 0 HZ2 LYS A 61 80.752 -3.587 -11.352 1.00 2.43 H new ATOM 0 HZ3 LYS A 61 80.016 -2.541 -12.470 1.00 2.43 H new ATOM 627 N ASP A 62 76.663 -8.692 -7.140 1.00 0.29 N ATOM 628 CA ASP A 62 76.844 -10.059 -6.652 1.00 0.30 C ATOM 629 C ASP A 62 75.521 -10.749 -6.290 1.00 0.28 C ATOM 630 O ASP A 62 75.532 -11.793 -5.636 1.00 0.30 O ATOM 631 CB ASP A 62 77.756 -10.043 -5.423 1.00 0.32 C ATOM 632 CG ASP A 62 78.187 -11.463 -5.057 1.00 0.40 C ATOM 633 OD1 ASP A 62 78.304 -12.282 -5.954 1.00 0.81 O ATOM 634 OD2 ASP A 62 78.394 -11.708 -3.880 1.00 1.11 O ATOM 0 H ASP A 62 76.836 -7.967 -6.444 1.00 0.29 H new ATOM 0 HA ASP A 62 77.293 -10.630 -7.465 1.00 0.30 H new ATOM 0 HB2 ASP A 62 78.635 -9.430 -5.623 1.00 0.32 H new ATOM 0 HB3 ASP A 62 77.234 -9.587 -4.582 1.00 0.32 H new ATOM 639 N SER A 63 74.382 -10.183 -6.702 1.00 0.26 N ATOM 640 CA SER A 63 73.068 -10.776 -6.430 1.00 0.28 C ATOM 641 C SER A 63 72.652 -10.683 -4.955 1.00 0.24 C ATOM 642 O SER A 63 71.545 -11.100 -4.611 1.00 0.26 O ATOM 643 CB SER A 63 73.027 -12.243 -6.873 1.00 0.36 C ATOM 644 OG SER A 63 71.673 -12.659 -6.987 1.00 1.09 O ATOM 0 H SER A 63 74.344 -9.310 -7.228 1.00 0.26 H new ATOM 0 HA SER A 63 72.355 -10.189 -7.010 1.00 0.28 H new ATOM 0 HB2 SER A 63 73.538 -12.361 -7.829 1.00 0.36 H new ATOM 0 HB3 SER A 63 73.552 -12.868 -6.151 1.00 0.36 H new ATOM 0 HG SER A 63 71.154 -12.292 -6.241 1.00 1.09 H new ATOM 650 N ASN A 64 73.511 -10.148 -4.085 1.00 0.20 N ATOM 651 CA ASN A 64 73.150 -9.974 -2.682 1.00 0.18 C ATOM 652 C ASN A 64 72.181 -8.807 -2.537 1.00 0.15 C ATOM 653 O ASN A 64 72.371 -7.759 -3.153 1.00 0.14 O ATOM 654 CB ASN A 64 74.406 -9.700 -1.850 1.00 0.19 C ATOM 655 CG ASN A 64 75.347 -10.901 -1.894 1.00 0.24 C ATOM 656 OD1 ASN A 64 74.921 -12.021 -2.182 1.00 0.85 O ATOM 657 ND2 ASN A 64 76.612 -10.735 -1.625 1.00 0.87 N ATOM 0 H ASN A 64 74.450 -9.832 -4.326 1.00 0.20 H new ATOM 0 HA ASN A 64 72.673 -10.887 -2.325 1.00 0.18 H new ATOM 0 HB2 ASN A 64 74.917 -8.816 -2.232 1.00 0.19 H new ATOM 0 HB3 ASN A 64 74.127 -9.486 -0.818 1.00 0.19 H new ATOM 0 HD21 ASN A 64 77.248 -11.532 -1.653 1.00 0.87 H new ATOM 0 HD22 ASN A 64 76.965 -9.808 -1.387 1.00 0.87 H new ATOM 664 N ARG A 65 71.131 -8.993 -1.739 1.00 0.15 N ATOM 665 CA ARG A 65 70.135 -7.942 -1.546 1.00 0.14 C ATOM 666 C ARG A 65 70.171 -7.401 -0.120 1.00 0.12 C ATOM 667 O ARG A 65 70.380 -8.141 0.845 1.00 0.14 O ATOM 668 CB ARG A 65 68.739 -8.494 -1.841 1.00 0.18 C ATOM 669 CG ARG A 65 68.644 -8.882 -3.318 1.00 0.21 C ATOM 670 CD ARG A 65 67.212 -9.307 -3.649 1.00 0.51 C ATOM 671 NE ARG A 65 66.789 -10.410 -2.780 1.00 1.47 N ATOM 672 CZ ARG A 65 65.623 -11.057 -2.922 1.00 2.00 C ATOM 673 NH1 ARG A 65 64.760 -10.750 -3.860 1.00 2.52 N ATOM 674 NH2 ARG A 65 65.336 -12.027 -2.096 1.00 2.51 N ATOM 0 H ARG A 65 70.949 -9.852 -1.221 1.00 0.15 H new ATOM 0 HA ARG A 65 70.368 -7.127 -2.231 1.00 0.14 H new ATOM 0 HB2 ARG A 65 68.540 -9.362 -1.213 1.00 0.18 H new ATOM 0 HB3 ARG A 65 67.983 -7.746 -1.601 1.00 0.18 H new ATOM 0 HG2 ARG A 65 68.938 -8.040 -3.945 1.00 0.21 H new ATOM 0 HG3 ARG A 65 69.335 -9.697 -3.535 1.00 0.21 H new ATOM 0 HD2 ARG A 65 66.537 -8.460 -3.525 1.00 0.51 H new ATOM 0 HD3 ARG A 65 67.150 -9.614 -4.693 1.00 0.51 H new ATOM 0 HE ARG A 65 67.414 -10.700 -2.028 1.00 1.47 H new ATOM 0 HH11 ARG A 65 64.965 -9.995 -4.515 1.00 2.52 H new ATOM 0 HH12 ARG A 65 63.883 -11.266 -3.935 1.00 2.52 H new ATOM 0 HH21 ARG A 65 65.994 -12.281 -1.359 1.00 2.51 H new ATOM 0 HH22 ARG A 65 64.454 -12.531 -2.188 1.00 2.51 H new ATOM 688 N TYR A 66 69.936 -6.100 0.006 1.00 0.10 N ATOM 689 CA TYR A 66 69.899 -5.472 1.318 1.00 0.10 C ATOM 690 C TYR A 66 68.980 -4.255 1.319 1.00 0.09 C ATOM 691 O TYR A 66 68.599 -3.748 0.266 1.00 0.10 O ATOM 692 CB TYR A 66 71.313 -5.078 1.756 1.00 0.10 C ATOM 693 CG TYR A 66 71.917 -3.920 0.992 1.00 0.09 C ATOM 694 CD1 TYR A 66 71.649 -2.603 1.387 1.00 0.09 C ATOM 695 CD2 TYR A 66 72.767 -4.165 -0.093 1.00 0.12 C ATOM 696 CE1 TYR A 66 72.232 -1.532 0.698 1.00 0.12 C ATOM 697 CE2 TYR A 66 73.345 -3.094 -0.784 1.00 0.15 C ATOM 698 CZ TYR A 66 73.080 -1.779 -0.388 1.00 0.15 C ATOM 699 OH TYR A 66 73.653 -0.724 -1.068 1.00 0.19 O ATOM 0 H TYR A 66 69.770 -5.467 -0.776 1.00 0.10 H new ATOM 0 HA TYR A 66 69.499 -6.194 2.030 1.00 0.10 H new ATOM 0 HB2 TYR A 66 71.292 -4.824 2.816 1.00 0.10 H new ATOM 0 HB3 TYR A 66 71.965 -5.945 1.649 1.00 0.10 H new ATOM 0 HD1 TYR A 66 70.992 -2.413 2.223 1.00 0.09 H new ATOM 0 HD2 TYR A 66 72.977 -5.180 -0.397 1.00 0.12 H new ATOM 0 HE1 TYR A 66 72.028 -0.517 1.004 1.00 0.12 H new ATOM 0 HE2 TYR A 66 73.997 -3.283 -1.624 1.00 0.15 H new ATOM 0 HH TYR A 66 74.628 -0.767 -0.976 1.00 0.19 H new ATOM 709 N THR A 67 68.630 -3.795 2.515 1.00 0.09 N ATOM 710 CA THR A 67 67.764 -2.631 2.667 1.00 0.10 C ATOM 711 C THR A 67 68.452 -1.585 3.534 1.00 0.09 C ATOM 712 O THR A 67 69.015 -1.901 4.584 1.00 0.10 O ATOM 713 CB THR A 67 66.440 -3.045 3.314 1.00 0.12 C ATOM 714 OG1 THR A 67 65.855 -4.096 2.557 1.00 0.14 O ATOM 715 CG2 THR A 67 65.490 -1.848 3.348 1.00 0.14 C ATOM 0 H THR A 67 68.933 -4.211 3.395 1.00 0.09 H new ATOM 0 HA THR A 67 67.564 -2.208 1.683 1.00 0.10 H new ATOM 0 HB THR A 67 66.624 -3.388 4.332 1.00 0.12 H new ATOM 0 HG1 THR A 67 65.008 -4.364 2.970 1.00 0.14 H new ATOM 0 HG21 THR A 67 64.548 -2.144 3.809 1.00 0.14 H new ATOM 0 HG22 THR A 67 65.940 -1.043 3.928 1.00 0.14 H new ATOM 0 HG23 THR A 67 65.304 -1.502 2.331 1.00 0.14 H new ATOM 723 N THR A 68 68.415 -0.336 3.088 1.00 0.09 N ATOM 724 CA THR A 68 69.036 0.757 3.838 1.00 0.09 C ATOM 725 C THR A 68 68.009 1.830 4.183 1.00 0.11 C ATOM 726 O THR A 68 67.118 2.125 3.389 1.00 0.14 O ATOM 727 CB THR A 68 70.172 1.369 3.011 1.00 0.10 C ATOM 728 OG1 THR A 68 70.769 2.430 3.744 1.00 0.11 O ATOM 729 CG2 THR A 68 69.625 1.902 1.685 1.00 0.12 C ATOM 0 H THR A 68 67.966 -0.052 2.217 1.00 0.09 H new ATOM 0 HA THR A 68 69.438 0.356 4.768 1.00 0.09 H new ATOM 0 HB THR A 68 70.919 0.603 2.803 1.00 0.10 H new ATOM 0 HG1 THR A 68 71.069 2.097 4.616 1.00 0.11 H new ATOM 0 HG21 THR A 68 70.439 2.335 1.104 1.00 0.12 H new ATOM 0 HG22 THR A 68 69.173 1.085 1.123 1.00 0.12 H new ATOM 0 HG23 THR A 68 68.873 2.666 1.882 1.00 0.12 H new ATOM 737 N TYR A 69 68.144 2.413 5.368 1.00 0.09 N ATOM 738 CA TYR A 69 67.251 3.491 5.785 1.00 0.10 C ATOM 739 C TYR A 69 67.951 4.834 5.606 1.00 0.10 C ATOM 740 O TYR A 69 69.163 4.927 5.808 1.00 0.09 O ATOM 741 CB TYR A 69 66.864 3.308 7.253 1.00 0.12 C ATOM 742 CG TYR A 69 66.242 1.963 7.547 1.00 0.16 C ATOM 743 CD1 TYR A 69 67.054 0.884 7.916 1.00 0.26 C ATOM 744 CD2 TYR A 69 64.855 1.795 7.455 1.00 0.16 C ATOM 745 CE1 TYR A 69 66.481 -0.363 8.192 1.00 0.30 C ATOM 746 CE2 TYR A 69 64.281 0.548 7.730 1.00 0.20 C ATOM 747 CZ TYR A 69 65.094 -0.531 8.099 1.00 0.24 C ATOM 748 OH TYR A 69 64.528 -1.759 8.369 1.00 0.29 O ATOM 0 H TYR A 69 68.856 2.161 6.053 1.00 0.09 H new ATOM 0 HA TYR A 69 66.351 3.466 5.171 1.00 0.10 H new ATOM 0 HB2 TYR A 69 67.752 3.433 7.873 1.00 0.12 H new ATOM 0 HB3 TYR A 69 66.164 4.094 7.537 1.00 0.12 H new ATOM 0 HD1 TYR A 69 68.124 1.014 7.988 1.00 0.26 H new ATOM 0 HD2 TYR A 69 64.228 2.627 7.172 1.00 0.16 H new ATOM 0 HE1 TYR A 69 67.108 -1.195 8.476 1.00 0.30 H new ATOM 0 HE2 TYR A 69 63.211 0.418 7.658 1.00 0.20 H new ATOM 0 HH TYR A 69 63.556 -1.703 8.259 1.00 0.29 H new ATOM 758 N ILE A 70 67.200 5.870 5.230 1.00 0.12 N ATOM 759 CA ILE A 70 67.813 7.176 4.983 1.00 0.13 C ATOM 760 C ILE A 70 67.703 8.057 6.235 1.00 0.13 C ATOM 761 O ILE A 70 66.602 8.517 6.536 1.00 0.16 O ATOM 762 CB ILE A 70 67.112 7.891 3.818 1.00 0.17 C ATOM 763 CG1 ILE A 70 67.033 6.981 2.586 1.00 0.18 C ATOM 764 CG2 ILE A 70 67.916 9.138 3.448 1.00 0.19 C ATOM 765 CD1 ILE A 70 66.164 7.645 1.518 1.00 0.34 C ATOM 0 H ILE A 70 66.190 5.834 5.092 1.00 0.12 H new ATOM 0 HA ILE A 70 68.861 7.013 4.733 1.00 0.13 H new ATOM 0 HB ILE A 70 66.101 8.155 4.130 1.00 0.17 H new ATOM 0 HG12 ILE A 70 68.033 6.795 2.193 1.00 0.18 H new ATOM 0 HG13 ILE A 70 66.614 6.013 2.861 1.00 0.18 H new ATOM 0 HG21 ILE A 70 67.427 9.654 2.621 1.00 0.19 H new ATOM 0 HG22 ILE A 70 67.972 9.804 4.309 1.00 0.19 H new ATOM 0 HG23 ILE A 70 68.923 8.846 3.149 1.00 0.19 H new ATOM 0 HD11 ILE A 70 66.107 6.999 0.642 1.00 0.34 H new ATOM 0 HD12 ILE A 70 65.162 7.808 1.914 1.00 0.34 H new ATOM 0 HD13 ILE A 70 66.603 8.602 1.235 1.00 0.34 H new ATOM 777 N PRO A 71 68.773 8.324 6.961 1.00 0.13 N ATOM 778 CA PRO A 71 68.678 9.149 8.208 1.00 0.14 C ATOM 779 C PRO A 71 68.014 10.503 7.958 1.00 0.14 C ATOM 780 O PRO A 71 67.235 10.981 8.782 1.00 0.14 O ATOM 781 CB PRO A 71 70.126 9.311 8.695 1.00 0.16 C ATOM 782 CG PRO A 71 71.000 8.836 7.584 1.00 0.18 C ATOM 783 CD PRO A 71 70.162 7.879 6.739 1.00 0.16 C ATOM 0 HA PRO A 71 68.049 8.664 8.955 1.00 0.14 H new ATOM 0 HB2 PRO A 71 70.339 10.352 8.939 1.00 0.16 H new ATOM 0 HB3 PRO A 71 70.298 8.729 9.601 1.00 0.16 H new ATOM 0 HG2 PRO A 71 71.351 9.675 6.983 1.00 0.18 H new ATOM 0 HG3 PRO A 71 71.884 8.332 7.976 1.00 0.18 H new ATOM 0 HD2 PRO A 71 70.435 7.935 5.685 1.00 0.16 H new ATOM 0 HD3 PRO A 71 70.304 6.844 7.051 1.00 0.16 H new ATOM 791 N VAL A 72 68.341 11.125 6.830 1.00 0.16 N ATOM 792 CA VAL A 72 67.711 12.383 6.440 1.00 0.19 C ATOM 793 C VAL A 72 67.458 12.374 4.936 1.00 0.21 C ATOM 794 O VAL A 72 68.321 11.957 4.163 1.00 0.30 O ATOM 795 CB VAL A 72 68.604 13.570 6.815 1.00 0.20 C ATOM 796 CG1 VAL A 72 67.887 14.882 6.484 1.00 1.34 C ATOM 797 CG2 VAL A 72 68.912 13.533 8.314 1.00 1.40 C ATOM 0 H VAL A 72 69.038 10.780 6.170 1.00 0.16 H new ATOM 0 HA VAL A 72 66.764 12.487 6.969 1.00 0.19 H new ATOM 0 HB VAL A 72 69.533 13.507 6.248 1.00 0.20 H new ATOM 0 HG11 VAL A 72 68.526 15.723 6.752 1.00 1.34 H new ATOM 0 HG12 VAL A 72 67.669 14.918 5.417 1.00 1.34 H new ATOM 0 HG13 VAL A 72 66.955 14.940 7.047 1.00 1.34 H new ATOM 0 HG21 VAL A 72 69.547 14.379 8.576 1.00 1.40 H new ATOM 0 HG22 VAL A 72 67.981 13.590 8.878 1.00 1.40 H new ATOM 0 HG23 VAL A 72 69.427 12.604 8.557 1.00 1.40 H new ATOM 807 N GLN A 73 66.290 12.855 4.513 1.00 0.34 N ATOM 808 CA GLN A 73 65.931 12.817 3.096 1.00 0.41 C ATOM 809 C GLN A 73 67.012 13.473 2.236 1.00 0.28 C ATOM 810 O GLN A 73 67.471 14.577 2.527 1.00 0.37 O ATOM 811 CB GLN A 73 64.575 13.501 2.879 1.00 0.66 C ATOM 812 CG GLN A 73 64.657 14.986 3.246 1.00 1.37 C ATOM 813 CD GLN A 73 63.286 15.635 3.089 1.00 1.56 C ATOM 814 OE1 GLN A 73 62.442 15.527 3.978 1.00 1.56 O ATOM 815 NE2 GLN A 73 63.013 16.306 2.004 1.00 2.32 N ATOM 0 H GLN A 73 65.585 13.270 5.122 1.00 0.34 H new ATOM 0 HA GLN A 73 65.852 11.774 2.789 1.00 0.41 H new ATOM 0 HB2 GLN A 73 64.270 13.394 1.838 1.00 0.66 H new ATOM 0 HB3 GLN A 73 63.813 13.012 3.486 1.00 0.66 H new ATOM 0 HG2 GLN A 73 65.006 15.097 4.272 1.00 1.37 H new ATOM 0 HG3 GLN A 73 65.382 15.488 2.606 1.00 1.37 H new ATOM 0 HE21 GLN A 73 63.714 16.394 1.269 1.00 2.32 H new ATOM 0 HE22 GLN A 73 62.098 16.743 1.891 1.00 2.32 H new ATOM 824 N ASP A 74 67.435 12.765 1.192 1.00 0.27 N ATOM 825 CA ASP A 74 68.525 13.236 0.343 1.00 0.39 C ATOM 826 C ASP A 74 68.059 13.434 -1.101 1.00 0.34 C ATOM 827 O ASP A 74 68.133 12.498 -1.899 1.00 0.32 O ATOM 828 CB ASP A 74 69.656 12.201 0.380 1.00 0.60 C ATOM 829 CG ASP A 74 70.976 12.795 -0.110 1.00 1.00 C ATOM 830 OD1 ASP A 74 71.126 14.006 -0.075 1.00 1.52 O ATOM 831 OD2 ASP A 74 71.828 12.016 -0.506 1.00 1.61 O ATOM 0 H ASP A 74 67.041 11.866 0.914 1.00 0.27 H new ATOM 0 HA ASP A 74 68.873 14.199 0.718 1.00 0.39 H new ATOM 0 HB2 ASP A 74 69.778 11.831 1.398 1.00 0.60 H new ATOM 0 HB3 ASP A 74 69.388 11.346 -0.240 1.00 0.60 H new ATOM 836 N PRO A 75 67.579 14.605 -1.460 1.00 0.36 N ATOM 837 CA PRO A 75 67.226 14.898 -2.887 1.00 0.36 C ATOM 838 C PRO A 75 68.425 14.748 -3.823 1.00 0.29 C ATOM 839 O PRO A 75 68.275 14.389 -4.990 1.00 0.30 O ATOM 840 CB PRO A 75 66.742 16.351 -2.860 1.00 0.47 C ATOM 841 CG PRO A 75 66.312 16.584 -1.454 1.00 0.53 C ATOM 842 CD PRO A 75 67.275 15.767 -0.600 1.00 0.45 C ATOM 0 HA PRO A 75 66.478 14.202 -3.267 1.00 0.36 H new ATOM 0 HB2 PRO A 75 67.537 17.038 -3.149 1.00 0.47 H new ATOM 0 HB3 PRO A 75 65.918 16.506 -3.556 1.00 0.47 H new ATOM 0 HG2 PRO A 75 66.360 17.642 -1.198 1.00 0.53 H new ATOM 0 HG3 PRO A 75 65.281 16.265 -1.300 1.00 0.53 H new ATOM 0 HD2 PRO A 75 68.174 16.332 -0.353 1.00 0.45 H new ATOM 0 HD3 PRO A 75 66.820 15.463 0.343 1.00 0.45 H new ATOM 850 N LYS A 76 69.616 15.026 -3.296 1.00 0.26 N ATOM 851 CA LYS A 76 70.848 14.904 -4.074 1.00 0.26 C ATOM 852 C LYS A 76 71.114 13.462 -4.515 1.00 0.22 C ATOM 853 O LYS A 76 71.766 13.230 -5.533 1.00 0.22 O ATOM 854 CB LYS A 76 72.033 15.421 -3.256 1.00 0.28 C ATOM 855 CG LYS A 76 73.240 15.626 -4.173 1.00 0.36 C ATOM 856 CD LYS A 76 74.513 15.719 -3.328 1.00 0.82 C ATOM 857 CE LYS A 76 74.522 17.043 -2.562 1.00 0.97 C ATOM 858 NZ LYS A 76 75.909 17.345 -2.109 1.00 1.84 N ATOM 0 H LYS A 76 69.754 15.337 -2.334 1.00 0.26 H new ATOM 0 HA LYS A 76 70.726 15.506 -4.975 1.00 0.26 H new ATOM 0 HB2 LYS A 76 71.770 16.360 -2.769 1.00 0.28 H new ATOM 0 HB3 LYS A 76 72.280 14.711 -2.466 1.00 0.28 H new ATOM 0 HG2 LYS A 76 73.319 14.799 -4.879 1.00 0.36 H new ATOM 0 HG3 LYS A 76 73.114 16.535 -4.761 1.00 0.36 H new ATOM 0 HD2 LYS A 76 74.561 14.883 -2.630 1.00 0.82 H new ATOM 0 HD3 LYS A 76 75.393 15.651 -3.968 1.00 0.82 H new ATOM 0 HE2 LYS A 76 74.153 17.847 -3.199 1.00 0.97 H new ATOM 0 HE3 LYS A 76 73.852 16.984 -1.704 1.00 0.97 H new ATOM 0 HZ1 LYS A 76 75.916 18.245 -1.588 1.00 1.84 H new ATOM 0 HZ2 LYS A 76 76.245 16.582 -1.487 1.00 1.84 H new ATOM 0 HZ3 LYS A 76 76.536 17.419 -2.936 1.00 1.84 H new ATOM 872 N LEU A 77 70.608 12.489 -3.759 1.00 0.20 N ATOM 873 CA LEU A 77 70.906 11.086 -4.032 1.00 0.20 C ATOM 874 C LEU A 77 70.549 10.720 -5.471 1.00 0.19 C ATOM 875 O LEU A 77 71.266 9.958 -6.116 1.00 0.19 O ATOM 876 CB LEU A 77 70.124 10.193 -3.066 1.00 0.23 C ATOM 877 CG LEU A 77 70.553 8.735 -3.249 1.00 0.25 C ATOM 878 CD1 LEU A 77 71.974 8.549 -2.714 1.00 0.26 C ATOM 879 CD2 LEU A 77 69.597 7.825 -2.473 1.00 0.27 C ATOM 0 H LEU A 77 69.995 12.645 -2.959 1.00 0.20 H new ATOM 0 HA LEU A 77 71.976 10.931 -3.892 1.00 0.20 H new ATOM 0 HB2 LEU A 77 70.303 10.509 -2.038 1.00 0.23 H new ATOM 0 HB3 LEU A 77 69.054 10.293 -3.248 1.00 0.23 H new ATOM 0 HG LEU A 77 70.527 8.478 -4.308 1.00 0.25 H new ATOM 0 HD11 LEU A 77 72.279 7.511 -2.845 1.00 0.26 H new ATOM 0 HD12 LEU A 77 72.657 9.199 -3.261 1.00 0.26 H new ATOM 0 HD13 LEU A 77 72.000 8.804 -1.655 1.00 0.26 H new ATOM 0 HD21 LEU A 77 69.900 6.786 -2.601 1.00 0.27 H new ATOM 0 HD22 LEU A 77 69.627 8.084 -1.415 1.00 0.27 H new ATOM 0 HD23 LEU A 77 68.583 7.957 -2.850 1.00 0.27 H new ATOM 891 N LEU A 78 69.458 11.286 -5.979 1.00 0.20 N ATOM 892 CA LEU A 78 69.021 10.978 -7.337 1.00 0.24 C ATOM 893 C LEU A 78 70.111 11.345 -8.338 1.00 0.21 C ATOM 894 O LEU A 78 70.493 10.540 -9.189 1.00 0.22 O ATOM 895 CB LEU A 78 67.745 11.756 -7.667 1.00 0.31 C ATOM 896 CG LEU A 78 66.644 11.400 -6.665 1.00 0.37 C ATOM 897 CD1 LEU A 78 65.411 12.265 -6.935 1.00 0.45 C ATOM 898 CD2 LEU A 78 66.264 9.925 -6.819 1.00 0.47 C ATOM 0 H LEU A 78 68.868 11.951 -5.479 1.00 0.20 H new ATOM 0 HA LEU A 78 68.820 9.909 -7.402 1.00 0.24 H new ATOM 0 HB2 LEU A 78 67.944 12.827 -7.637 1.00 0.31 H new ATOM 0 HB3 LEU A 78 67.417 11.521 -8.680 1.00 0.31 H new ATOM 0 HG LEU A 78 67.007 11.580 -5.653 1.00 0.37 H new ATOM 0 HD11 LEU A 78 64.626 12.012 -6.222 1.00 0.45 H new ATOM 0 HD12 LEU A 78 65.674 13.317 -6.827 1.00 0.45 H new ATOM 0 HD13 LEU A 78 65.053 12.082 -7.948 1.00 0.45 H new ATOM 0 HD21 LEU A 78 65.480 9.675 -6.104 1.00 0.47 H new ATOM 0 HD22 LEU A 78 65.902 9.746 -7.832 1.00 0.47 H new ATOM 0 HD23 LEU A 78 67.139 9.302 -6.631 1.00 0.47 H new ATOM 910 N ASP A 79 70.648 12.552 -8.198 1.00 0.20 N ATOM 911 CA ASP A 79 71.669 13.030 -9.124 1.00 0.23 C ATOM 912 C ASP A 79 72.900 12.133 -9.080 1.00 0.22 C ATOM 913 O ASP A 79 73.484 11.815 -10.117 1.00 0.25 O ATOM 914 CB ASP A 79 72.065 14.466 -8.772 1.00 0.24 C ATOM 915 CG ASP A 79 70.875 15.406 -8.953 1.00 0.87 C ATOM 916 OD1 ASP A 79 70.062 15.149 -9.827 1.00 1.83 O ATOM 917 OD2 ASP A 79 70.793 16.371 -8.212 1.00 0.84 O ATOM 0 H ASP A 79 70.397 13.211 -7.461 1.00 0.20 H new ATOM 0 HA ASP A 79 71.255 13.005 -10.132 1.00 0.23 H new ATOM 0 HB2 ASP A 79 72.418 14.510 -7.742 1.00 0.24 H new ATOM 0 HB3 ASP A 79 72.891 14.788 -9.406 1.00 0.24 H new ATOM 922 N ASN A 80 73.281 11.711 -7.880 1.00 0.20 N ATOM 923 CA ASN A 80 74.451 10.857 -7.725 1.00 0.22 C ATOM 924 C ASN A 80 74.274 9.550 -8.495 1.00 0.23 C ATOM 925 O ASN A 80 75.149 9.147 -9.262 1.00 0.26 O ATOM 926 CB ASN A 80 74.674 10.549 -6.243 1.00 0.22 C ATOM 927 CG ASN A 80 76.066 9.963 -6.035 1.00 0.27 C ATOM 928 OD1 ASN A 80 77.067 10.625 -6.311 1.00 0.64 O ATOM 929 ND2 ASN A 80 76.190 8.753 -5.564 1.00 0.66 N ATOM 0 H ASN A 80 72.803 11.943 -7.010 1.00 0.20 H new ATOM 0 HA ASN A 80 75.317 11.384 -8.126 1.00 0.22 H new ATOM 0 HB2 ASN A 80 74.562 11.459 -5.653 1.00 0.22 H new ATOM 0 HB3 ASN A 80 73.919 9.846 -5.892 1.00 0.22 H new ATOM 0 HD21 ASN A 80 77.118 8.353 -5.423 1.00 0.66 H new ATOM 0 HD22 ASN A 80 75.359 8.207 -5.336 1.00 0.66 H new ATOM 936 N LEU A 81 73.125 8.907 -8.316 1.00 0.20 N ATOM 937 CA LEU A 81 72.870 7.632 -8.978 1.00 0.21 C ATOM 938 C LEU A 81 72.972 7.768 -10.493 1.00 0.24 C ATOM 939 O LEU A 81 73.441 6.850 -11.163 1.00 0.27 O ATOM 940 CB LEU A 81 71.478 7.116 -8.605 1.00 0.20 C ATOM 941 CG LEU A 81 71.404 6.861 -7.097 1.00 0.20 C ATOM 942 CD1 LEU A 81 69.965 6.524 -6.706 1.00 0.19 C ATOM 943 CD2 LEU A 81 72.313 5.684 -6.733 1.00 0.24 C ATOM 0 H LEU A 81 72.364 9.242 -7.726 1.00 0.20 H new ATOM 0 HA LEU A 81 73.627 6.923 -8.642 1.00 0.21 H new ATOM 0 HB2 LEU A 81 70.721 7.843 -8.897 1.00 0.20 H new ATOM 0 HB3 LEU A 81 71.264 6.196 -9.149 1.00 0.20 H new ATOM 0 HG LEU A 81 71.729 7.754 -6.563 1.00 0.20 H new ATOM 0 HD11 LEU A 81 69.913 6.343 -5.632 1.00 0.19 H new ATOM 0 HD12 LEU A 81 69.313 7.358 -6.965 1.00 0.19 H new ATOM 0 HD13 LEU A 81 69.642 5.631 -7.241 1.00 0.19 H new ATOM 0 HD21 LEU A 81 72.261 5.502 -5.660 1.00 0.24 H new ATOM 0 HD22 LEU A 81 71.986 4.793 -7.268 1.00 0.24 H new ATOM 0 HD23 LEU A 81 73.340 5.918 -7.012 1.00 0.24 H new ATOM 955 N LEU A 82 72.533 8.905 -11.031 1.00 0.25 N ATOM 956 CA LEU A 82 72.611 9.116 -12.475 1.00 0.29 C ATOM 957 C LEU A 82 74.062 9.226 -12.937 1.00 0.32 C ATOM 958 O LEU A 82 74.446 8.595 -13.922 1.00 0.36 O ATOM 959 CB LEU A 82 71.835 10.373 -12.880 1.00 0.30 C ATOM 960 CG LEU A 82 70.364 10.230 -12.482 1.00 0.29 C ATOM 961 CD1 LEU A 82 69.627 11.535 -12.787 1.00 0.32 C ATOM 962 CD2 LEU A 82 69.722 9.094 -13.282 1.00 0.32 C ATOM 0 H LEU A 82 72.128 9.678 -10.503 1.00 0.25 H new ATOM 0 HA LEU A 82 72.160 8.251 -12.962 1.00 0.29 H new ATOM 0 HB2 LEU A 82 72.268 11.249 -12.397 1.00 0.30 H new ATOM 0 HB3 LEU A 82 71.916 10.530 -13.956 1.00 0.30 H new ATOM 0 HG LEU A 82 70.299 10.008 -11.417 1.00 0.29 H new ATOM 0 HD11 LEU A 82 68.579 11.436 -12.504 1.00 0.32 H new ATOM 0 HD12 LEU A 82 70.080 12.349 -12.221 1.00 0.32 H new ATOM 0 HD13 LEU A 82 69.696 11.751 -13.853 1.00 0.32 H new ATOM 0 HD21 LEU A 82 68.675 8.995 -12.996 1.00 0.32 H new ATOM 0 HD22 LEU A 82 69.788 9.316 -14.347 1.00 0.32 H new ATOM 0 HD23 LEU A 82 70.245 8.161 -13.073 1.00 0.32 H new ATOM 974 N THR A 83 74.878 9.981 -12.207 1.00 0.32 N ATOM 975 CA THR A 83 76.292 10.115 -12.560 1.00 0.36 C ATOM 976 C THR A 83 77.007 8.761 -12.555 1.00 0.37 C ATOM 977 O THR A 83 77.925 8.535 -13.343 1.00 0.41 O ATOM 978 CB THR A 83 76.982 11.060 -11.573 1.00 0.36 C ATOM 979 OG1 THR A 83 76.261 12.283 -11.510 1.00 0.40 O ATOM 980 CG2 THR A 83 78.414 11.336 -12.037 1.00 0.32 C ATOM 0 H THR A 83 74.592 10.503 -11.379 1.00 0.32 H new ATOM 0 HA THR A 83 76.347 10.522 -13.570 1.00 0.36 H new ATOM 0 HB THR A 83 77.006 10.597 -10.586 1.00 0.36 H new ATOM 0 HG1 THR A 83 76.700 12.889 -10.877 1.00 0.40 H new ATOM 0 HG21 THR A 83 78.902 12.009 -11.332 1.00 0.32 H new ATOM 0 HG22 THR A 83 78.968 10.398 -12.086 1.00 0.32 H new ATOM 0 HG23 THR A 83 78.394 11.797 -13.024 1.00 0.32 H new ATOM 988 N LYS A 84 76.584 7.867 -11.666 1.00 0.34 N ATOM 989 CA LYS A 84 77.177 6.531 -11.573 1.00 0.36 C ATOM 990 C LYS A 84 76.629 5.547 -12.619 1.00 0.36 C ATOM 991 O LYS A 84 77.066 4.397 -12.656 1.00 0.37 O ATOM 992 CB LYS A 84 76.967 5.956 -10.169 1.00 0.35 C ATOM 993 CG LYS A 84 77.536 6.908 -9.113 1.00 0.38 C ATOM 994 CD LYS A 84 79.051 7.039 -9.282 1.00 1.08 C ATOM 995 CE LYS A 84 79.629 7.823 -8.102 1.00 1.07 C ATOM 996 NZ LYS A 84 79.378 9.278 -8.301 1.00 2.15 N ATOM 0 H LYS A 84 75.833 8.041 -10.998 1.00 0.34 H new ATOM 0 HA LYS A 84 78.241 6.653 -11.777 1.00 0.36 H new ATOM 0 HB2 LYS A 84 75.904 5.797 -9.989 1.00 0.35 H new ATOM 0 HB3 LYS A 84 77.453 4.983 -10.091 1.00 0.35 H new ATOM 0 HG2 LYS A 84 77.066 7.887 -9.205 1.00 0.38 H new ATOM 0 HG3 LYS A 84 77.305 6.536 -8.115 1.00 0.38 H new ATOM 0 HD2 LYS A 84 79.509 6.051 -9.335 1.00 1.08 H new ATOM 0 HD3 LYS A 84 79.281 7.548 -10.218 1.00 1.08 H new ATOM 0 HE2 LYS A 84 79.172 7.488 -7.171 1.00 1.07 H new ATOM 0 HE3 LYS A 84 80.699 7.636 -8.017 1.00 1.07 H new ATOM 0 HZ1 LYS A 84 80.261 9.807 -8.148 1.00 2.15 H new ATOM 0 HZ2 LYS A 84 79.039 9.442 -9.270 1.00 2.15 H new ATOM 0 HZ3 LYS A 84 78.659 9.602 -7.623 1.00 2.15 H new ATOM 1010 N ASN A 85 75.676 5.971 -13.450 1.00 0.35 N ATOM 1011 CA ASN A 85 75.051 5.074 -14.419 1.00 0.36 C ATOM 1012 C ASN A 85 74.359 3.912 -13.706 1.00 0.33 C ATOM 1013 O ASN A 85 74.421 2.764 -14.149 1.00 0.35 O ATOM 1014 CB ASN A 85 76.095 4.543 -15.408 1.00 0.42 C ATOM 1015 CG ASN A 85 76.845 5.703 -16.058 1.00 0.43 C ATOM 1016 OD1 ASN A 85 78.070 5.668 -16.165 1.00 0.85 O ATOM 1017 ND2 ASN A 85 76.178 6.734 -16.500 1.00 0.94 N ATOM 0 H ASN A 85 75.322 6.927 -13.471 1.00 0.35 H new ATOM 0 HA ASN A 85 74.300 5.637 -14.973 1.00 0.36 H new ATOM 0 HB2 ASN A 85 76.798 3.891 -14.890 1.00 0.42 H new ATOM 0 HB3 ASN A 85 75.607 3.941 -16.175 1.00 0.42 H new ATOM 0 HD21 ASN A 85 76.672 7.513 -16.935 1.00 0.94 H new ATOM 0 HD22 ASN A 85 75.162 6.761 -16.410 1.00 0.94 H new ATOM 1024 N VAL A 86 73.690 4.224 -12.600 1.00 0.30 N ATOM 1025 CA VAL A 86 72.963 3.215 -11.837 1.00 0.26 C ATOM 1026 C VAL A 86 71.470 3.319 -12.138 1.00 0.23 C ATOM 1027 O VAL A 86 70.930 4.422 -12.239 1.00 0.26 O ATOM 1028 CB VAL A 86 73.209 3.422 -10.336 1.00 0.26 C ATOM 1029 CG1 VAL A 86 72.502 2.330 -9.526 1.00 0.24 C ATOM 1030 CG2 VAL A 86 74.711 3.350 -10.044 1.00 0.30 C ATOM 0 H VAL A 86 73.636 5.166 -12.213 1.00 0.30 H new ATOM 0 HA VAL A 86 73.317 2.224 -12.122 1.00 0.26 H new ATOM 0 HB VAL A 86 72.817 4.399 -10.053 1.00 0.26 H new ATOM 0 HG11 VAL A 86 72.685 2.489 -8.463 1.00 0.24 H new ATOM 0 HG12 VAL A 86 71.430 2.370 -9.720 1.00 0.24 H new ATOM 0 HG13 VAL A 86 72.887 1.353 -9.818 1.00 0.24 H new ATOM 0 HG21 VAL A 86 74.882 3.497 -8.978 1.00 0.30 H new ATOM 0 HG22 VAL A 86 75.093 2.373 -10.341 1.00 0.30 H new ATOM 0 HG23 VAL A 86 75.228 4.128 -10.605 1.00 0.30 H new ATOM 1040 N LYS A 87 70.808 2.174 -12.280 1.00 0.21 N ATOM 1041 CA LYS A 87 69.379 2.171 -12.575 1.00 0.23 C ATOM 1042 C LYS A 87 68.607 2.703 -11.373 1.00 0.21 C ATOM 1043 O LYS A 87 68.854 2.291 -10.240 1.00 0.23 O ATOM 1044 CB LYS A 87 68.910 0.753 -12.910 1.00 0.24 C ATOM 1045 CG LYS A 87 67.457 0.795 -13.387 1.00 0.30 C ATOM 1046 CD LYS A 87 66.963 -0.629 -13.646 1.00 0.86 C ATOM 1047 CE LYS A 87 65.569 -0.580 -14.274 1.00 1.03 C ATOM 1048 NZ LYS A 87 65.265 -1.892 -14.915 1.00 1.92 N ATOM 0 H LYS A 87 71.231 1.249 -12.197 1.00 0.21 H new ATOM 0 HA LYS A 87 69.193 2.813 -13.436 1.00 0.23 H new ATOM 0 HB2 LYS A 87 69.545 0.322 -13.684 1.00 0.24 H new ATOM 0 HB3 LYS A 87 68.997 0.113 -12.032 1.00 0.24 H new ATOM 0 HG2 LYS A 87 66.831 1.278 -12.637 1.00 0.30 H new ATOM 0 HG3 LYS A 87 67.379 1.389 -14.297 1.00 0.30 H new ATOM 0 HD2 LYS A 87 67.654 -1.150 -14.309 1.00 0.86 H new ATOM 0 HD3 LYS A 87 66.933 -1.190 -12.712 1.00 0.86 H new ATOM 0 HE2 LYS A 87 64.823 -0.354 -13.512 1.00 1.03 H new ATOM 0 HE3 LYS A 87 65.520 0.218 -15.014 1.00 1.03 H new ATOM 0 HZ1 LYS A 87 64.317 -1.858 -15.342 1.00 1.92 H new ATOM 0 HZ2 LYS A 87 65.970 -2.089 -15.653 1.00 1.92 H new ATOM 0 HZ3 LYS A 87 65.295 -2.644 -14.197 1.00 1.92 H new ATOM 1062 N VAL A 88 67.646 3.591 -11.619 1.00 0.22 N ATOM 1063 CA VAL A 88 66.909 4.230 -10.528 1.00 0.20 C ATOM 1064 C VAL A 88 65.404 4.077 -10.730 1.00 0.21 C ATOM 1065 O VAL A 88 64.881 4.313 -11.819 1.00 0.25 O ATOM 1066 CB VAL A 88 67.277 5.719 -10.442 1.00 0.24 C ATOM 1067 CG1 VAL A 88 66.584 6.359 -9.235 1.00 0.24 C ATOM 1068 CG2 VAL A 88 68.793 5.870 -10.280 1.00 0.26 C ATOM 0 H VAL A 88 67.361 3.883 -12.554 1.00 0.22 H new ATOM 0 HA VAL A 88 67.185 3.739 -9.595 1.00 0.20 H new ATOM 0 HB VAL A 88 66.952 6.214 -11.357 1.00 0.24 H new ATOM 0 HG11 VAL A 88 66.850 7.415 -9.180 1.00 0.24 H new ATOM 0 HG12 VAL A 88 65.504 6.262 -9.342 1.00 0.24 H new ATOM 0 HG13 VAL A 88 66.905 5.857 -8.323 1.00 0.24 H new ATOM 0 HG21 VAL A 88 69.049 6.928 -10.220 1.00 0.26 H new ATOM 0 HG22 VAL A 88 69.113 5.366 -9.368 1.00 0.26 H new ATOM 0 HG23 VAL A 88 69.297 5.423 -11.137 1.00 0.26 H new ATOM 1078 N VAL A 89 64.721 3.678 -9.663 1.00 0.19 N ATOM 1079 CA VAL A 89 63.266 3.533 -9.688 1.00 0.22 C ATOM 1080 C VAL A 89 62.650 4.397 -8.594 1.00 0.22 C ATOM 1081 O VAL A 89 63.154 4.422 -7.475 1.00 0.19 O ATOM 1082 CB VAL A 89 62.857 2.075 -9.449 1.00 0.24 C ATOM 1083 CG1 VAL A 89 61.347 1.932 -9.650 1.00 0.21 C ATOM 1084 CG2 VAL A 89 63.588 1.145 -10.423 1.00 0.30 C ATOM 0 H VAL A 89 65.151 3.448 -8.767 1.00 0.19 H new ATOM 0 HA VAL A 89 62.909 3.847 -10.669 1.00 0.22 H new ATOM 0 HB VAL A 89 63.125 1.798 -8.430 1.00 0.24 H new ATOM 0 HG11 VAL A 89 61.054 0.896 -9.481 1.00 0.21 H new ATOM 0 HG12 VAL A 89 60.823 2.577 -8.945 1.00 0.21 H new ATOM 0 HG13 VAL A 89 61.087 2.221 -10.668 1.00 0.21 H new ATOM 0 HG21 VAL A 89 63.285 0.114 -10.238 1.00 0.30 H new ATOM 0 HG22 VAL A 89 63.335 1.420 -11.447 1.00 0.30 H new ATOM 0 HG23 VAL A 89 64.664 1.239 -10.277 1.00 0.30 H new ATOM 1094 N GLY A 90 61.557 5.092 -8.902 1.00 0.27 N ATOM 1095 CA GLY A 90 60.901 5.943 -7.910 1.00 0.30 C ATOM 1096 C GLY A 90 59.415 5.622 -7.791 1.00 0.50 C ATOM 1097 O GLY A 90 58.699 5.575 -8.792 1.00 0.73 O ATOM 0 H GLY A 90 61.111 5.084 -9.819 1.00 0.27 H new ATOM 0 HA2 GLY A 90 61.381 5.810 -6.941 1.00 0.30 H new ATOM 0 HA3 GLY A 90 61.027 6.990 -8.187 1.00 0.30 H new ATOM 1101 N GLU A 91 58.958 5.402 -6.561 1.00 0.55 N ATOM 1102 CA GLU A 91 57.537 5.184 -6.314 1.00 0.91 C ATOM 1103 C GLU A 91 57.172 5.593 -4.882 1.00 1.23 C ATOM 1104 O GLU A 91 57.130 4.741 -3.993 1.00 1.39 O ATOM 1105 CB GLU A 91 57.183 3.712 -6.545 1.00 1.05 C ATOM 1106 CG GLU A 91 56.970 3.462 -8.040 1.00 1.70 C ATOM 1107 CD GLU A 91 56.051 2.262 -8.243 1.00 2.42 C ATOM 1108 OE1 GLU A 91 56.336 1.219 -7.677 1.00 2.75 O ATOM 1109 OE2 GLU A 91 55.074 2.403 -8.959 1.00 3.17 O ATOM 0 H GLU A 91 59.545 5.370 -5.728 1.00 0.55 H new ATOM 0 HA GLU A 91 56.966 5.800 -7.008 1.00 0.91 H new ATOM 0 HB2 GLU A 91 57.982 3.072 -6.170 1.00 1.05 H new ATOM 0 HB3 GLU A 91 56.281 3.454 -5.991 1.00 1.05 H new ATOM 0 HG2 GLU A 91 56.536 4.346 -8.507 1.00 1.70 H new ATOM 0 HG3 GLU A 91 57.928 3.283 -8.527 1.00 1.70 H new ATOM 1116 N PRO A 92 56.912 6.861 -4.628 1.00 1.61 N ATOM 1117 CA PRO A 92 56.589 7.327 -3.242 1.00 2.06 C ATOM 1118 C PRO A 92 55.361 6.611 -2.665 1.00 2.32 C ATOM 1119 O PRO A 92 54.446 6.279 -3.421 1.00 2.43 O ATOM 1120 CB PRO A 92 56.320 8.830 -3.390 1.00 2.48 C ATOM 1121 CG PRO A 92 56.944 9.226 -4.684 1.00 2.52 C ATOM 1122 CD PRO A 92 56.883 7.992 -5.579 1.00 1.91 C ATOM 0 HA PRO A 92 57.403 7.111 -2.550 1.00 2.06 H new ATOM 0 HB2 PRO A 92 55.250 9.038 -3.392 1.00 2.48 H new ATOM 0 HB3 PRO A 92 56.752 9.389 -2.560 1.00 2.48 H new ATOM 0 HG2 PRO A 92 56.409 10.061 -5.135 1.00 2.52 H new ATOM 0 HG3 PRO A 92 57.974 9.550 -4.537 1.00 2.52 H new ATOM 0 HD2 PRO A 92 55.976 7.982 -6.184 1.00 1.91 H new ATOM 0 HD3 PRO A 92 57.727 7.956 -6.268 1.00 1.91 H new ATOM 1130 N PRO A 93 55.303 6.359 -1.372 1.00 2.69 N ATOM 1131 CA PRO A 93 54.096 5.725 -0.751 1.00 3.14 C ATOM 1132 C PRO A 93 52.830 6.542 -0.993 1.00 3.58 C ATOM 1133 O PRO A 93 52.885 7.767 -1.103 1.00 3.80 O ATOM 1134 CB PRO A 93 54.422 5.673 0.745 1.00 3.64 C ATOM 1135 CG PRO A 93 55.907 5.713 0.809 1.00 3.48 C ATOM 1136 CD PRO A 93 56.332 6.615 -0.345 1.00 3.00 C ATOM 0 HA PRO A 93 53.895 4.743 -1.179 1.00 3.14 H new ATOM 0 HB2 PRO A 93 53.980 6.516 1.276 1.00 3.64 H new ATOM 0 HB3 PRO A 93 54.030 4.766 1.204 1.00 3.64 H new ATOM 0 HG2 PRO A 93 56.250 6.109 1.765 1.00 3.48 H new ATOM 0 HG3 PRO A 93 56.333 4.715 0.706 1.00 3.48 H new ATOM 0 HD2 PRO A 93 56.353 7.664 -0.049 1.00 3.00 H new ATOM 0 HD3 PRO A 93 57.330 6.365 -0.704 1.00 3.00 H new ATOM 1144 N GLU A 94 51.692 5.860 -1.075 1.00 3.96 N ATOM 1145 CA GLU A 94 50.418 6.545 -1.258 1.00 4.59 C ATOM 1146 C GLU A 94 49.728 6.753 0.087 1.00 5.38 C ATOM 1147 O GLU A 94 49.721 5.861 0.936 1.00 5.70 O ATOM 1148 CB GLU A 94 49.510 5.731 -2.180 1.00 5.02 C ATOM 1149 CG GLU A 94 48.256 6.549 -2.514 1.00 5.18 C ATOM 1150 CD GLU A 94 47.260 5.751 -3.366 1.00 5.24 C ATOM 1151 OE1 GLU A 94 47.519 4.594 -3.664 1.00 5.22 O ATOM 1152 OE2 GLU A 94 46.239 6.320 -3.712 1.00 5.65 O ATOM 0 H GLU A 94 51.626 4.844 -1.018 1.00 3.96 H new ATOM 0 HA GLU A 94 50.611 7.517 -1.711 1.00 4.59 H new ATOM 0 HB2 GLU A 94 50.042 5.471 -3.095 1.00 5.02 H new ATOM 0 HB3 GLU A 94 49.229 4.795 -1.698 1.00 5.02 H new ATOM 0 HG2 GLU A 94 47.772 6.864 -1.590 1.00 5.18 H new ATOM 0 HG3 GLU A 94 48.545 7.455 -3.047 1.00 5.18 H new ATOM 1159 N GLU A 95 49.151 7.937 0.273 1.00 5.92 N ATOM 1160 CA GLU A 95 48.480 8.276 1.526 1.00 6.87 C ATOM 1161 C GLU A 95 47.038 8.718 1.259 1.00 7.76 C ATOM 1162 O GLU A 95 46.797 9.908 1.048 1.00 7.83 O ATOM 1163 CB GLU A 95 49.237 9.409 2.224 1.00 7.16 C ATOM 1164 CG GLU A 95 50.422 8.833 3.004 1.00 7.33 C ATOM 1165 CD GLU A 95 50.798 9.771 4.148 1.00 7.47 C ATOM 1166 OE1 GLU A 95 51.284 10.853 3.864 1.00 7.52 O ATOM 1167 OE2 GLU A 95 50.594 9.392 5.288 1.00 7.76 O ATOM 0 H GLU A 95 49.134 8.678 -0.428 1.00 5.92 H new ATOM 0 HA GLU A 95 48.466 7.393 2.165 1.00 6.87 H new ATOM 0 HB2 GLU A 95 49.590 10.131 1.488 1.00 7.16 H new ATOM 0 HB3 GLU A 95 48.569 9.943 2.900 1.00 7.16 H new ATOM 0 HG2 GLU A 95 50.165 7.850 3.398 1.00 7.33 H new ATOM 0 HG3 GLU A 95 51.275 8.697 2.339 1.00 7.33 H new ATOM 1174 N PRO A 96 46.079 7.813 1.257 1.00 8.63 N ATOM 1175 CA PRO A 96 44.655 8.191 0.999 1.00 9.67 C ATOM 1176 C PRO A 96 44.212 9.408 1.810 1.00 10.08 C ATOM 1177 O PRO A 96 43.324 10.149 1.390 1.00 10.26 O ATOM 1178 CB PRO A 96 43.863 6.950 1.416 1.00 10.57 C ATOM 1179 CG PRO A 96 44.796 5.805 1.224 1.00 10.13 C ATOM 1180 CD PRO A 96 46.210 6.348 1.427 1.00 8.93 C ATOM 0 HA PRO A 96 44.501 8.476 -0.042 1.00 9.67 H new ATOM 0 HB2 PRO A 96 43.537 7.022 2.454 1.00 10.57 H new ATOM 0 HB3 PRO A 96 42.966 6.833 0.807 1.00 10.57 H new ATOM 0 HG2 PRO A 96 44.582 5.008 1.937 1.00 10.13 H new ATOM 0 HG3 PRO A 96 44.685 5.379 0.227 1.00 10.13 H new ATOM 0 HD2 PRO A 96 46.592 6.097 2.416 1.00 8.93 H new ATOM 0 HD3 PRO A 96 46.904 5.926 0.701 1.00 8.93 H new ATOM 1188 N LEU A 97 44.831 9.612 2.970 1.00 10.45 N ATOM 1189 CA LEU A 97 44.541 10.789 3.783 1.00 11.04 C ATOM 1190 C LEU A 97 45.653 11.819 3.612 1.00 11.89 C ATOM 1191 O LEU A 97 46.832 11.500 3.762 1.00 12.08 O ATOM 1192 CB LEU A 97 44.428 10.398 5.260 1.00 11.40 C ATOM 1193 CG LEU A 97 43.358 9.318 5.438 1.00 11.56 C ATOM 1194 CD1 LEU A 97 43.324 8.872 6.901 1.00 11.71 C ATOM 1195 CD2 LEU A 97 41.987 9.880 5.054 1.00 11.77 C ATOM 0 H LEU A 97 45.530 8.984 3.365 1.00 10.45 H new ATOM 0 HA LEU A 97 43.594 11.218 3.456 1.00 11.04 H new ATOM 0 HB2 LEU A 97 45.389 10.032 5.622 1.00 11.40 H new ATOM 0 HB3 LEU A 97 44.175 11.274 5.858 1.00 11.40 H new ATOM 0 HG LEU A 97 43.596 8.469 4.798 1.00 11.56 H new ATOM 0 HD11 LEU A 97 42.562 8.103 7.029 1.00 11.71 H new ATOM 0 HD12 LEU A 97 44.297 8.469 7.181 1.00 11.71 H new ATOM 0 HD13 LEU A 97 43.088 9.726 7.536 1.00 11.71 H new ATOM 0 HD21 LEU A 97 41.228 9.108 5.182 1.00 11.77 H new ATOM 0 HD22 LEU A 97 41.751 10.731 5.693 1.00 11.77 H new ATOM 0 HD23 LEU A 97 42.004 10.202 4.013 1.00 11.77 H new ATOM 1207 N GLU A 98 45.276 13.057 3.298 1.00 12.53 N ATOM 1208 CA GLU A 98 46.261 14.113 3.077 1.00 13.52 C ATOM 1209 C GLU A 98 46.248 15.124 4.219 1.00 13.93 C ATOM 1210 O GLU A 98 45.189 15.590 4.641 1.00 14.01 O ATOM 1211 CB GLU A 98 45.960 14.830 1.759 1.00 14.19 C ATOM 1212 CG GLU A 98 46.071 13.835 0.597 1.00 14.28 C ATOM 1213 CD GLU A 98 45.864 14.517 -0.759 1.00 13.85 C ATOM 1214 OE1 GLU A 98 45.452 15.669 -0.792 1.00 13.51 O ATOM 1215 OE2 GLU A 98 46.124 13.869 -1.759 1.00 14.00 O ATOM 0 H GLU A 98 44.305 13.351 3.192 1.00 12.53 H new ATOM 0 HA GLU A 98 47.249 13.654 3.034 1.00 13.52 H new ATOM 0 HB2 GLU A 98 44.959 15.261 1.788 1.00 14.19 H new ATOM 0 HB3 GLU A 98 46.658 15.654 1.614 1.00 14.19 H new ATOM 0 HG2 GLU A 98 47.051 13.359 0.618 1.00 14.28 H new ATOM 0 HG3 GLU A 98 45.331 13.045 0.723 1.00 14.28 H new ATOM 1222 N HIS A 99 47.434 15.449 4.719 1.00 14.35 N ATOM 1223 CA HIS A 99 47.570 16.461 5.764 1.00 14.94 C ATOM 1224 C HIS A 99 47.159 17.854 5.273 1.00 15.25 C ATOM 1225 O HIS A 99 46.733 18.691 6.068 1.00 15.32 O ATOM 1226 CB HIS A 99 49.017 16.503 6.254 1.00 15.27 C ATOM 1227 CG HIS A 99 49.466 15.217 6.895 1.00 15.50 C ATOM 1228 ND1 HIS A 99 50.078 14.205 6.172 1.00 15.48 N ATOM 1229 CD2 HIS A 99 49.398 14.763 8.189 1.00 15.95 C ATOM 1230 CE1 HIS A 99 50.350 13.203 7.025 1.00 15.90 C ATOM 1231 NE2 HIS A 99 49.956 13.490 8.269 1.00 16.20 N ATOM 0 H HIS A 99 48.314 15.029 4.420 1.00 14.35 H new ATOM 0 HA HIS A 99 46.902 16.183 6.579 1.00 14.94 H new ATOM 0 HB2 HIS A 99 49.672 16.729 5.413 1.00 15.27 H new ATOM 0 HB3 HIS A 99 49.127 17.316 6.971 1.00 15.27 H new ATOM 0 HD2 HIS A 99 48.976 15.310 9.019 1.00 15.95 H new ATOM 0 HE1 HIS A 99 50.829 12.278 6.740 1.00 15.90 H new ATOM 0 HE2 HIS A 99 50.045 12.903 9.098 1.00 16.20 H new ATOM 1239 N HIS A 100 47.296 18.106 3.972 1.00 15.60 N ATOM 1240 CA HIS A 100 47.021 19.429 3.419 1.00 16.10 C ATOM 1241 C HIS A 100 45.611 19.915 3.755 1.00 16.21 C ATOM 1242 O HIS A 100 45.381 21.120 3.865 1.00 16.29 O ATOM 1243 CB HIS A 100 47.194 19.397 1.900 1.00 16.57 C ATOM 1244 CG HIS A 100 48.600 19.083 1.464 1.00 16.76 C ATOM 1245 ND1 HIS A 100 49.020 17.789 1.202 1.00 17.19 N ATOM 1246 CD2 HIS A 100 49.692 19.885 1.238 1.00 16.75 C ATOM 1247 CE1 HIS A 100 50.314 17.849 0.838 1.00 17.42 C ATOM 1248 NE2 HIS A 100 50.773 19.103 0.842 1.00 17.17 N ATOM 0 H HIS A 100 47.595 17.414 3.285 1.00 15.60 H new ATOM 0 HA HIS A 100 47.729 20.124 3.870 1.00 16.10 H new ATOM 0 HB2 HIS A 100 46.517 18.653 1.480 1.00 16.57 H new ATOM 0 HB3 HIS A 100 46.901 20.363 1.488 1.00 16.57 H new ATOM 0 HD2 HIS A 100 49.709 20.959 1.350 1.00 16.75 H new ATOM 0 HE1 HIS A 100 50.909 16.987 0.575 1.00 17.42 H new ATOM 0 HE2 HIS A 100 51.713 19.420 0.606 1.00 17.17 H new ATOM 1256 N HIS A 101 44.667 18.989 3.914 1.00 16.36 N ATOM 1257 CA HIS A 101 43.287 19.366 4.207 1.00 16.65 C ATOM 1258 C HIS A 101 43.204 20.230 5.463 1.00 16.91 C ATOM 1259 O HIS A 101 42.396 21.156 5.533 1.00 17.14 O ATOM 1260 CB HIS A 101 42.425 18.115 4.386 1.00 16.80 C ATOM 1261 CG HIS A 101 42.150 17.387 3.098 1.00 17.13 C ATOM 1262 ND1 HIS A 101 42.944 16.344 2.652 1.00 17.44 N ATOM 1263 CD2 HIS A 101 41.170 17.543 2.149 1.00 17.35 C ATOM 1264 CE1 HIS A 101 42.435 15.916 1.484 1.00 17.82 C ATOM 1265 NE2 HIS A 101 41.353 16.612 1.130 1.00 17.79 N ATOM 0 H HIS A 101 44.830 17.984 3.846 1.00 16.36 H new ATOM 0 HA HIS A 101 42.914 19.948 3.364 1.00 16.65 H new ATOM 0 HB2 HIS A 101 42.923 17.436 5.079 1.00 16.80 H new ATOM 0 HB3 HIS A 101 41.477 18.399 4.843 1.00 16.80 H new ATOM 0 HD1 HIS A 101 43.766 15.968 3.124 1.00 17.44 H new ATOM 0 HD2 HIS A 101 40.378 18.276 2.187 1.00 17.35 H new ATOM 0 HE1 HIS A 101 42.851 15.107 0.902 1.00 17.82 H new ATOM 1273 N HIS A 102 44.036 19.925 6.455 1.00 17.03 N ATOM 1274 CA HIS A 102 44.038 20.691 7.696 1.00 17.46 C ATOM 1275 C HIS A 102 44.286 22.173 7.427 1.00 17.73 C ATOM 1276 O HIS A 102 43.685 23.036 8.067 1.00 18.10 O ATOM 1277 CB HIS A 102 45.118 20.156 8.640 1.00 17.62 C ATOM 1278 CG HIS A 102 44.849 18.759 9.129 1.00 17.77 C ATOM 1279 ND1 HIS A 102 45.480 17.651 8.587 1.00 17.75 N ATOM 1280 CD2 HIS A 102 44.019 18.275 10.111 1.00 18.09 C ATOM 1281 CE1 HIS A 102 45.024 16.566 9.238 1.00 18.05 C ATOM 1282 NE2 HIS A 102 44.132 16.889 10.178 1.00 18.27 N ATOM 0 H HIS A 102 44.711 19.161 6.424 1.00 17.03 H new ATOM 0 HA HIS A 102 43.058 20.582 8.160 1.00 17.46 H new ATOM 0 HB2 HIS A 102 46.079 20.174 8.127 1.00 17.62 H new ATOM 0 HB3 HIS A 102 45.202 20.823 9.498 1.00 17.62 H new ATOM 0 HD1 HIS A 102 46.166 17.657 7.832 1.00 17.75 H new ATOM 0 HD2 HIS A 102 43.377 18.878 10.736 1.00 18.09 H new ATOM 0 HE1 HIS A 102 45.341 15.556 9.026 1.00 18.05 H new ATOM 1290 N HIS A 103 45.171 22.464 6.478 1.00 17.69 N ATOM 1291 CA HIS A 103 45.486 23.850 6.140 1.00 18.12 C ATOM 1292 C HIS A 103 44.236 24.634 5.738 1.00 18.52 C ATOM 1293 O HIS A 103 44.157 25.841 5.967 1.00 18.82 O ATOM 1294 CB HIS A 103 46.500 23.889 4.995 1.00 18.07 C ATOM 1295 CG HIS A 103 47.864 23.391 5.388 1.00 18.13 C ATOM 1296 ND1 HIS A 103 48.151 22.041 5.511 1.00 18.35 N ATOM 1297 CD2 HIS A 103 49.032 24.050 5.684 1.00 18.15 C ATOM 1298 CE1 HIS A 103 49.442 21.930 5.866 1.00 18.49 C ATOM 1299 NE2 HIS A 103 50.028 23.124 5.986 1.00 18.38 N ATOM 0 H HIS A 103 45.679 21.767 5.934 1.00 17.69 H new ATOM 0 HA HIS A 103 45.908 24.318 7.029 1.00 18.12 H new ATOM 0 HB2 HIS A 103 46.126 23.286 4.167 1.00 18.07 H new ATOM 0 HB3 HIS A 103 46.586 24.913 4.630 1.00 18.07 H new ATOM 0 HD2 HIS A 103 49.159 25.123 5.683 1.00 18.15 H new ATOM 0 HE1 HIS A 103 49.945 20.989 6.034 1.00 18.49 H new ATOM 0 HE2 HIS A 103 50.996 23.316 6.243 1.00 18.38 H new ATOM 1307 N HIS A 104 43.262 23.954 5.138 1.00 18.68 N ATOM 1308 CA HIS A 104 42.032 24.613 4.713 1.00 19.22 C ATOM 1309 C HIS A 104 41.023 24.654 5.855 1.00 19.40 C ATOM 1310 O HIS A 104 40.213 25.566 5.872 1.00 19.63 O ATOM 1311 CB HIS A 104 41.427 23.872 3.520 1.00 19.83 C ATOM 1312 CG HIS A 104 40.233 24.569 2.925 1.00 20.24 C ATOM 1313 ND1 HIS A 104 40.339 25.784 2.267 1.00 20.20 N ATOM 1314 CD2 HIS A 104 38.902 24.233 2.881 1.00 20.83 C ATOM 1315 CE1 HIS A 104 39.108 26.134 1.859 1.00 20.75 C ATOM 1316 NE2 HIS A 104 38.193 25.225 2.207 1.00 21.15 N ATOM 1317 OXT HIS A 104 41.073 23.772 6.696 1.00 19.42 O ATOM 0 H HIS A 104 43.300 22.955 4.937 1.00 18.68 H new ATOM 0 HA HIS A 104 42.273 25.635 4.420 1.00 19.22 H new ATOM 0 HB2 HIS A 104 42.190 23.754 2.751 1.00 19.83 H new ATOM 0 HB3 HIS A 104 41.134 22.870 3.835 1.00 19.83 H new ATOM 0 HD2 HIS A 104 38.471 23.337 3.304 1.00 20.83 H new ATOM 0 HE1 HIS A 104 38.885 27.040 1.316 1.00 20.75 H new ATOM 0 HE2 HIS A 104 37.191 25.252 2.020 1.00 21.15 H new TER 1325 HIS A 104