USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=23 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 101 HIS :FLIP no HD1:sc= -0.241 F(o=-0.92,f=-0.24) USER MOD Set 1.2: A 103 HIS :FLIP no HD1:sc= 0 X(o=-0.26,f=-0.24) USER MOD Set 1.3: A 104 HIS : no HD1:sc= 0 X(o=-0.24,f=-0.24) USER MOD Set 2.1: A 45 GLN : amide:sc= -0.784 K(o=-1,f=-3.7!) USER MOD Set 2.2: A 61 LYS NZ :NH3+ 163:sc= -0.242 (180deg=0) USER MOD Set 3.1: A 27 SER OG : rot -120:sc= -0.097 USER MOD Set 3.2: A 31 LYS NZ :NH3+ -166:sc= 0.00714 (180deg=0) USER MOD Set 3.3: A 69 TYR OH : rot 180:sc= 0.00639 USER MOD Single : A 23 MET CE :methyl -154:sc= -0.215 (180deg=-1.22) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -1.34 K(o=-1.3,f=-6.9!) USER MOD Single : A 34 TYR OH : rot -179:sc= 0.0947 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 K(o=0,f=-0.96) USER MOD Single : A 42 ASN :FLIP amide:sc= -0.184 F(o=-1,f=-0.18) USER MOD Single : A 43 ASN : amide:sc=-0.00521 K(o=-0.0052,f=-1.4) USER MOD Single : A 52 ASN :FLIP amide:sc= -0.566! F(o=-1.1,f=-0.57!) USER MOD Single : A 57 ASN :FLIP amide:sc= -0.108 F(o=-1.2,f=-0.11) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 161:sc= 1.17 (180deg=0.492) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.241 X(o=-0.24,f=0.019) USER MOD Single : A 66 TYR OH : rot -45:sc= -2.16! USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 58:sc= 0.308 USER MOD Single : A 73 GLN : amide:sc=-0.00203 K(o=-0.002,f=-1.2) USER MOD Single : A 76 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.139) USER MOD Single : A 80 ASN : amide:sc= -0.245 X(o=-0.24,f=-0.026) USER MOD Single : A 83 THR OG1 : rot 78:sc= 0.187 USER MOD Single : A 84 LYS NZ :NH3+ -119:sc= -3.07 (180deg=-5.13!) USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=-0.33) 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=-0.15) USER MOD Single : A 100 HIS : no HD1:sc= -0.389 X(o=-0.39,f=-0.012) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 23 69.907 -16.839 9.417 1.00 10.94 N ATOM 2 CA MET A 23 68.988 -17.464 10.411 1.00 10.35 C ATOM 3 C MET A 23 68.815 -16.530 11.606 1.00 9.43 C ATOM 4 O MET A 23 67.713 -16.383 12.132 1.00 9.09 O ATOM 5 CB MET A 23 69.576 -18.799 10.878 1.00 10.57 C ATOM 6 CG MET A 23 69.783 -19.743 9.687 1.00 11.57 C ATOM 7 SD MET A 23 68.218 -20.027 8.819 1.00 12.15 S ATOM 8 CE MET A 23 67.332 -20.822 10.183 1.00 12.34 C ATOM 0 HA MET A 23 68.016 -17.639 9.950 1.00 10.35 H new ATOM 0 HB2 MET A 23 70.527 -18.627 11.383 1.00 10.57 H new ATOM 0 HB3 MET A 23 68.909 -19.262 11.605 1.00 10.57 H new ATOM 0 HG2 MET A 23 70.514 -19.316 9.000 1.00 11.57 H new ATOM 0 HG3 MET A 23 70.190 -20.693 10.035 1.00 11.57 H new ATOM 0 HE1 MET A 23 66.558 -21.477 9.782 1.00 12.34 H new ATOM 0 HE2 MET A 23 68.031 -21.409 10.778 1.00 12.34 H new ATOM 0 HE3 MET A 23 66.872 -20.059 10.812 1.00 12.34 H new ATOM 20 N ALA A 24 69.907 -15.900 12.030 1.00 9.26 N ATOM 21 CA ALA A 24 69.855 -14.985 13.167 1.00 8.60 C ATOM 22 C ALA A 24 68.866 -13.848 12.914 1.00 7.85 C ATOM 23 O ALA A 24 68.191 -13.392 13.836 1.00 7.84 O ATOM 24 CB ALA A 24 71.246 -14.405 13.431 1.00 9.02 C ATOM 0 H ALA A 24 70.830 -16.004 11.609 1.00 9.26 H new ATOM 0 HA ALA A 24 69.519 -15.546 14.039 1.00 8.60 H new ATOM 0 HB1 ALA A 24 71.201 -13.723 14.280 1.00 9.02 H new ATOM 0 HB2 ALA A 24 71.942 -15.214 13.652 1.00 9.02 H new ATOM 0 HB3 ALA A 24 71.588 -13.864 12.549 1.00 9.02 H new ATOM 30 N SER A 25 68.783 -13.389 11.666 1.00 7.48 N ATOM 31 CA SER A 25 67.855 -12.320 11.310 1.00 7.06 C ATOM 32 C SER A 25 66.764 -12.844 10.381 1.00 6.13 C ATOM 33 O SER A 25 67.039 -13.604 9.453 1.00 5.81 O ATOM 34 CB SER A 25 68.611 -11.187 10.615 1.00 7.43 C ATOM 35 OG SER A 25 69.128 -11.661 9.379 1.00 7.66 O ATOM 0 H SER A 25 69.344 -13.739 10.889 1.00 7.48 H new ATOM 0 HA SER A 25 67.392 -11.947 12.224 1.00 7.06 H new ATOM 0 HB2 SER A 25 67.946 -10.341 10.444 1.00 7.43 H new ATOM 0 HB3 SER A 25 69.422 -10.832 11.250 1.00 7.43 H new ATOM 0 HG SER A 25 69.612 -10.938 8.928 1.00 7.66 H new ATOM 41 N GLU A 26 65.527 -12.433 10.640 1.00 6.02 N ATOM 42 CA GLU A 26 64.405 -12.845 9.804 1.00 5.52 C ATOM 43 C GLU A 26 64.510 -12.238 8.408 1.00 4.55 C ATOM 44 O GLU A 26 64.172 -12.888 7.418 1.00 4.71 O ATOM 45 CB GLU A 26 63.086 -12.416 10.450 1.00 6.21 C ATOM 46 CG GLU A 26 61.913 -13.015 9.663 1.00 7.11 C ATOM 47 CD GLU A 26 60.558 -12.545 10.206 1.00 7.09 C ATOM 48 OE1 GLU A 26 60.527 -11.759 11.141 1.00 6.52 O ATOM 49 OE2 GLU A 26 59.556 -12.986 9.667 1.00 7.84 O ATOM 0 H GLU A 26 65.277 -11.820 11.416 1.00 6.02 H new ATOM 0 HA GLU A 26 64.432 -13.931 9.713 1.00 5.52 H new ATOM 0 HB2 GLU A 26 63.051 -12.750 11.487 1.00 6.21 H new ATOM 0 HB3 GLU A 26 63.012 -11.329 10.463 1.00 6.21 H new ATOM 0 HG2 GLU A 26 62.000 -12.735 8.613 1.00 7.11 H new ATOM 0 HG3 GLU A 26 61.964 -14.103 9.708 1.00 7.11 H new ATOM 56 N SER A 27 64.979 -10.994 8.330 1.00 3.94 N ATOM 57 CA SER A 27 65.021 -10.293 7.051 1.00 3.27 C ATOM 58 C SER A 27 65.863 -11.053 6.031 1.00 2.27 C ATOM 59 O SER A 27 66.998 -11.438 6.309 1.00 2.60 O ATOM 60 CB SER A 27 65.602 -8.892 7.247 1.00 3.88 C ATOM 61 OG SER A 27 64.780 -8.168 8.152 1.00 4.25 O ATOM 0 H SER A 27 65.330 -10.459 9.124 1.00 3.94 H new ATOM 0 HA SER A 27 64.002 -10.222 6.672 1.00 3.27 H new ATOM 0 HB2 SER A 27 66.619 -8.958 7.634 1.00 3.88 H new ATOM 0 HB3 SER A 27 65.658 -8.371 6.291 1.00 3.88 H new ATOM 0 HG SER A 27 64.432 -7.366 7.708 1.00 4.25 H new ATOM 67 N ASN A 28 65.294 -11.261 4.847 1.00 1.86 N ATOM 68 CA ASN A 28 66.049 -11.821 3.728 1.00 1.90 C ATOM 69 C ASN A 28 67.189 -10.899 3.284 1.00 1.49 C ATOM 70 O ASN A 28 68.194 -11.365 2.749 1.00 2.29 O ATOM 71 CB ASN A 28 65.115 -12.113 2.547 1.00 2.82 C ATOM 72 CG ASN A 28 64.275 -10.888 2.193 1.00 3.50 C ATOM 73 OD1 ASN A 28 64.790 -9.773 2.121 1.00 3.69 O ATOM 74 ND2 ASN A 28 62.998 -11.032 1.965 1.00 4.39 N ATOM 0 H ASN A 28 64.318 -11.052 4.637 1.00 1.86 H new ATOM 0 HA ASN A 28 66.496 -12.753 4.073 1.00 1.90 H new ATOM 0 HB2 ASN A 28 65.703 -12.417 1.681 1.00 2.82 H new ATOM 0 HB3 ASN A 28 64.459 -12.948 2.796 1.00 2.82 H new ATOM 0 HD21 ASN A 28 62.428 -10.220 1.727 1.00 4.39 H new ATOM 0 HD22 ASN A 28 62.570 -11.956 2.024 1.00 4.39 H new ATOM 81 N GLY A 29 67.034 -9.592 3.504 1.00 0.74 N ATOM 82 CA GLY A 29 68.037 -8.624 3.079 1.00 0.29 C ATOM 83 C GLY A 29 68.861 -8.139 4.266 1.00 0.24 C ATOM 84 O GLY A 29 68.315 -7.807 5.318 1.00 0.28 O ATOM 0 H GLY A 29 66.225 -9.184 3.973 1.00 0.74 H new ATOM 0 HA2 GLY A 29 68.694 -9.077 2.336 1.00 0.29 H new ATOM 0 HA3 GLY A 29 67.549 -7.776 2.599 1.00 0.29 H new ATOM 88 N ARG A 30 70.178 -8.100 4.091 1.00 0.19 N ATOM 89 CA ARG A 30 71.062 -7.639 5.157 1.00 0.19 C ATOM 90 C ARG A 30 70.703 -6.210 5.556 1.00 0.15 C ATOM 91 O ARG A 30 70.249 -5.432 4.720 1.00 0.13 O ATOM 92 CB ARG A 30 72.521 -7.694 4.698 1.00 0.21 C ATOM 93 CG ARG A 30 72.910 -9.144 4.406 1.00 0.59 C ATOM 94 CD ARG A 30 74.395 -9.212 4.046 1.00 0.95 C ATOM 95 NE ARG A 30 74.739 -10.555 3.570 1.00 1.70 N ATOM 96 CZ ARG A 30 74.770 -11.635 4.366 1.00 2.16 C ATOM 97 NH1 ARG A 30 74.498 -11.569 5.647 1.00 2.37 N ATOM 98 NH2 ARG A 30 75.081 -12.791 3.846 1.00 2.74 N ATOM 0 H ARG A 30 70.653 -8.378 3.232 1.00 0.19 H new ATOM 0 HA ARG A 30 70.936 -8.294 6.019 1.00 0.19 H new ATOM 0 HB2 ARG A 30 72.656 -7.083 3.805 1.00 0.21 H new ATOM 0 HB3 ARG A 30 73.172 -7.280 5.468 1.00 0.21 H new ATOM 0 HG2 ARG A 30 72.707 -9.768 5.276 1.00 0.59 H new ATOM 0 HG3 ARG A 30 72.308 -9.535 3.586 1.00 0.59 H new ATOM 0 HD2 ARG A 30 74.624 -8.475 3.276 1.00 0.95 H new ATOM 0 HD3 ARG A 30 75.000 -8.961 4.917 1.00 0.95 H new ATOM 0 HE ARG A 30 74.967 -10.675 2.583 1.00 1.70 H new ATOM 0 HH11 ARG A 30 74.252 -10.674 6.071 1.00 2.37 H new ATOM 0 HH12 ARG A 30 74.532 -12.412 6.220 1.00 2.37 H new ATOM 0 HH21 ARG A 30 75.295 -12.862 2.851 1.00 2.74 H new ATOM 0 HH22 ARG A 30 75.110 -13.624 4.434 1.00 2.74 H new ATOM 112 N LYS A 31 70.860 -5.878 6.835 1.00 0.15 N ATOM 113 CA LYS A 31 70.615 -4.509 7.284 1.00 0.13 C ATOM 114 C LYS A 31 71.825 -3.637 6.964 1.00 0.11 C ATOM 115 O LYS A 31 72.965 -4.038 7.203 1.00 0.13 O ATOM 116 CB LYS A 31 70.333 -4.479 8.790 1.00 0.16 C ATOM 117 CG LYS A 31 69.165 -5.412 9.127 1.00 0.92 C ATOM 118 CD LYS A 31 67.885 -4.911 8.454 1.00 0.91 C ATOM 119 CE LYS A 31 66.695 -5.741 8.939 1.00 1.87 C ATOM 120 NZ LYS A 31 65.428 -5.101 8.490 1.00 2.29 N ATOM 0 H LYS A 31 71.151 -6.525 7.568 1.00 0.15 H new ATOM 0 HA LYS A 31 69.742 -4.120 6.760 1.00 0.13 H new ATOM 0 HB2 LYS A 31 71.223 -4.785 9.340 1.00 0.16 H new ATOM 0 HB3 LYS A 31 70.098 -3.462 9.103 1.00 0.16 H new ATOM 0 HG2 LYS A 31 69.389 -6.425 8.792 1.00 0.92 H new ATOM 0 HG3 LYS A 31 69.024 -5.457 10.207 1.00 0.92 H new ATOM 0 HD2 LYS A 31 67.727 -3.858 8.687 1.00 0.91 H new ATOM 0 HD3 LYS A 31 67.977 -4.987 7.371 1.00 0.91 H new ATOM 0 HE2 LYS A 31 66.761 -6.756 8.546 1.00 1.87 H new ATOM 0 HE3 LYS A 31 66.711 -5.818 10.026 1.00 1.87 H new ATOM 0 HZ1 LYS A 31 64.627 -5.517 9.007 1.00 2.29 H new ATOM 0 HZ2 LYS A 31 65.469 -4.079 8.679 1.00 2.29 H new ATOM 0 HZ3 LYS A 31 65.302 -5.259 7.470 1.00 2.29 H new ATOM 134 N VAL A 32 71.581 -2.444 6.425 1.00 0.09 N ATOM 135 CA VAL A 32 72.676 -1.541 6.069 1.00 0.09 C ATOM 136 C VAL A 32 72.377 -0.104 6.499 1.00 0.08 C ATOM 137 O VAL A 32 71.287 0.418 6.265 1.00 0.08 O ATOM 138 CB VAL A 32 72.922 -1.598 4.554 1.00 0.10 C ATOM 139 CG1 VAL A 32 74.116 -0.717 4.173 1.00 0.12 C ATOM 140 CG2 VAL A 32 73.228 -3.040 4.139 1.00 0.11 C ATOM 0 H VAL A 32 70.648 -2.083 6.227 1.00 0.09 H new ATOM 0 HA VAL A 32 73.572 -1.867 6.597 1.00 0.09 H new ATOM 0 HB VAL A 32 72.028 -1.238 4.045 1.00 0.10 H new ATOM 0 HG11 VAL A 32 74.277 -0.768 3.096 1.00 0.12 H new ATOM 0 HG12 VAL A 32 73.913 0.315 4.461 1.00 0.12 H new ATOM 0 HG13 VAL A 32 75.008 -1.070 4.691 1.00 0.12 H new ATOM 0 HG21 VAL A 32 73.402 -3.080 3.064 1.00 0.11 H new ATOM 0 HG22 VAL A 32 74.117 -3.389 4.664 1.00 0.11 H new ATOM 0 HG23 VAL A 32 72.382 -3.679 4.393 1.00 0.11 H new ATOM 150 N ASP A 33 73.366 0.518 7.134 1.00 0.09 N ATOM 151 CA ASP A 33 73.284 1.925 7.516 1.00 0.08 C ATOM 152 C ASP A 33 73.443 2.824 6.290 1.00 0.08 C ATOM 153 O ASP A 33 74.152 2.477 5.346 1.00 0.10 O ATOM 154 CB ASP A 33 74.381 2.238 8.539 1.00 0.11 C ATOM 155 CG ASP A 33 74.159 1.434 9.819 1.00 0.74 C ATOM 156 OD1 ASP A 33 73.012 1.180 10.150 1.00 1.59 O ATOM 157 OD2 ASP A 33 75.143 1.085 10.450 1.00 0.47 O ATOM 0 H ASP A 33 74.241 0.065 7.397 1.00 0.09 H new ATOM 0 HA ASP A 33 72.306 2.116 7.958 1.00 0.08 H new ATOM 0 HB2 ASP A 33 75.358 2.001 8.118 1.00 0.11 H new ATOM 0 HB3 ASP A 33 74.382 3.304 8.767 1.00 0.11 H new ATOM 162 N TYR A 34 72.791 3.986 6.303 1.00 0.08 N ATOM 163 CA TYR A 34 72.885 4.920 5.181 1.00 0.09 C ATOM 164 C TYR A 34 74.344 5.242 4.852 1.00 0.11 C ATOM 165 O TYR A 34 74.713 5.348 3.682 1.00 0.13 O ATOM 166 CB TYR A 34 72.128 6.208 5.523 1.00 0.10 C ATOM 167 CG TYR A 34 72.226 7.296 4.476 1.00 0.15 C ATOM 168 CD1 TYR A 34 72.171 6.972 3.115 1.00 0.19 C ATOM 169 CD2 TYR A 34 72.379 8.632 4.868 1.00 0.18 C ATOM 170 CE1 TYR A 34 72.269 7.981 2.150 1.00 0.24 C ATOM 171 CE2 TYR A 34 72.474 9.642 3.901 1.00 0.24 C ATOM 172 CZ TYR A 34 72.420 9.315 2.541 1.00 0.27 C ATOM 173 OH TYR A 34 72.519 10.301 1.579 1.00 0.32 O ATOM 0 H TYR A 34 72.197 4.301 7.070 1.00 0.08 H new ATOM 0 HA TYR A 34 72.437 4.453 4.304 1.00 0.09 H new ATOM 0 HB2 TYR A 34 71.077 5.965 5.678 1.00 0.10 H new ATOM 0 HB3 TYR A 34 72.508 6.597 6.468 1.00 0.10 H new ATOM 0 HD1 TYR A 34 72.053 5.943 2.810 1.00 0.19 H new ATOM 0 HD2 TYR A 34 72.424 8.884 5.917 1.00 0.18 H new ATOM 0 HE1 TYR A 34 72.228 7.729 1.101 1.00 0.24 H new ATOM 0 HE2 TYR A 34 72.589 10.672 4.205 1.00 0.24 H new ATOM 0 HH TYR A 34 72.635 11.172 2.014 1.00 0.32 H new ATOM 183 N SER A 35 75.177 5.362 5.881 1.00 0.13 N ATOM 184 CA SER A 35 76.587 5.673 5.670 1.00 0.16 C ATOM 185 C SER A 35 77.246 4.601 4.806 1.00 0.16 C ATOM 186 O SER A 35 77.956 4.903 3.843 1.00 0.17 O ATOM 187 CB SER A 35 77.307 5.760 7.016 1.00 0.18 C ATOM 188 OG SER A 35 78.627 6.244 6.808 1.00 1.24 O ATOM 0 H SER A 35 74.905 5.250 6.858 1.00 0.13 H new ATOM 0 HA SER A 35 76.658 6.632 5.157 1.00 0.16 H new ATOM 0 HB2 SER A 35 76.765 6.424 7.690 1.00 0.18 H new ATOM 0 HB3 SER A 35 77.337 4.779 7.490 1.00 0.18 H new ATOM 0 HG SER A 35 79.093 6.303 7.668 1.00 1.24 H new ATOM 194 N THR A 36 76.970 3.342 5.130 1.00 0.15 N ATOM 195 CA THR A 36 77.584 2.235 4.407 1.00 0.16 C ATOM 196 C THR A 36 77.144 2.240 2.945 1.00 0.15 C ATOM 197 O THR A 36 77.952 2.005 2.046 1.00 0.17 O ATOM 198 CB THR A 36 77.211 0.903 5.062 1.00 0.16 C ATOM 199 OG1 THR A 36 77.552 0.944 6.440 1.00 0.18 O ATOM 200 CG2 THR A 36 77.973 -0.237 4.381 1.00 0.18 C ATOM 0 H THR A 36 76.334 3.065 5.878 1.00 0.15 H new ATOM 0 HA THR A 36 78.666 2.357 4.445 1.00 0.16 H new ATOM 0 HB THR A 36 76.139 0.734 4.956 1.00 0.16 H new ATOM 0 HG1 THR A 36 77.312 0.092 6.862 1.00 0.18 H new ATOM 0 HG21 THR A 36 77.706 -1.184 4.849 1.00 0.18 H new ATOM 0 HG22 THR A 36 77.712 -0.269 3.323 1.00 0.18 H new ATOM 0 HG23 THR A 36 79.045 -0.071 4.485 1.00 0.18 H new ATOM 208 N PHE A 37 75.868 2.534 2.707 1.00 0.13 N ATOM 209 CA PHE A 37 75.356 2.582 1.342 1.00 0.14 C ATOM 210 C PHE A 37 76.127 3.607 0.512 1.00 0.16 C ATOM 211 O PHE A 37 76.499 3.325 -0.626 1.00 0.17 O ATOM 212 CB PHE A 37 73.862 2.933 1.355 1.00 0.14 C ATOM 213 CG PHE A 37 73.256 3.111 -0.021 1.00 0.17 C ATOM 214 CD1 PHE A 37 72.714 2.017 -0.706 1.00 0.33 C ATOM 215 CD2 PHE A 37 73.258 4.377 -0.617 1.00 0.17 C ATOM 216 CE1 PHE A 37 72.171 2.193 -1.985 1.00 0.37 C ATOM 217 CE2 PHE A 37 72.716 4.553 -1.896 1.00 0.18 C ATOM 218 CZ PHE A 37 72.172 3.460 -2.580 1.00 0.25 C ATOM 0 H PHE A 37 75.179 2.740 3.431 1.00 0.13 H new ATOM 0 HA PHE A 37 75.489 1.600 0.888 1.00 0.14 H new ATOM 0 HB2 PHE A 37 73.320 2.147 1.880 1.00 0.14 H new ATOM 0 HB3 PHE A 37 73.721 3.852 1.924 1.00 0.14 H new ATOM 0 HD1 PHE A 37 72.715 1.039 -0.249 1.00 0.33 H new ATOM 0 HD2 PHE A 37 73.679 5.220 -0.089 1.00 0.17 H new ATOM 0 HE1 PHE A 37 71.751 1.350 -2.513 1.00 0.37 H new ATOM 0 HE2 PHE A 37 72.718 5.531 -2.354 1.00 0.18 H new ATOM 0 HZ PHE A 37 71.753 3.594 -3.566 1.00 0.25 H new ATOM 228 N LEU A 38 76.389 4.778 1.085 1.00 0.17 N ATOM 229 CA LEU A 38 77.072 5.832 0.341 1.00 0.21 C ATOM 230 C LEU A 38 78.452 5.369 -0.107 1.00 0.23 C ATOM 231 O LEU A 38 78.864 5.636 -1.236 1.00 0.25 O ATOM 232 CB LEU A 38 77.199 7.088 1.205 1.00 0.22 C ATOM 233 CG LEU A 38 75.804 7.613 1.551 1.00 0.21 C ATOM 234 CD1 LEU A 38 75.919 8.745 2.573 1.00 0.23 C ATOM 235 CD2 LEU A 38 75.127 8.147 0.287 1.00 0.23 C ATOM 0 H LEU A 38 76.144 5.019 2.045 1.00 0.17 H new ATOM 0 HA LEU A 38 76.480 6.065 -0.544 1.00 0.21 H new ATOM 0 HB2 LEU A 38 77.750 6.860 2.117 1.00 0.22 H new ATOM 0 HB3 LEU A 38 77.765 7.852 0.673 1.00 0.22 H new ATOM 0 HG LEU A 38 75.211 6.800 1.969 1.00 0.21 H new ATOM 0 HD11 LEU A 38 74.924 9.117 2.817 1.00 0.23 H new ATOM 0 HD12 LEU A 38 76.399 8.371 3.477 1.00 0.23 H new ATOM 0 HD13 LEU A 38 76.516 9.555 2.153 1.00 0.23 H new ATOM 0 HD21 LEU A 38 74.134 8.520 0.536 1.00 0.23 H new ATOM 0 HD22 LEU A 38 75.725 8.957 -0.131 1.00 0.23 H new ATOM 0 HD23 LEU A 38 75.040 7.345 -0.446 1.00 0.23 H new ATOM 247 N GLN A 39 79.151 4.650 0.766 1.00 0.23 N ATOM 248 CA GLN A 39 80.475 4.144 0.416 1.00 0.26 C ATOM 249 C GLN A 39 80.391 3.187 -0.769 1.00 0.24 C ATOM 250 O GLN A 39 81.168 3.284 -1.719 1.00 0.28 O ATOM 251 CB GLN A 39 81.103 3.425 1.613 1.00 0.27 C ATOM 252 CG GLN A 39 82.548 3.043 1.279 1.00 0.31 C ATOM 253 CD GLN A 39 83.224 2.361 2.469 1.00 0.67 C ATOM 254 OE1 GLN A 39 82.672 2.314 3.570 1.00 1.05 O ATOM 255 NE2 GLN A 39 84.401 1.823 2.309 1.00 1.10 N ATOM 0 H GLN A 39 78.831 4.408 1.704 1.00 0.23 H new ATOM 0 HA GLN A 39 81.100 4.993 0.139 1.00 0.26 H new ATOM 0 HB2 GLN A 39 81.080 4.070 2.491 1.00 0.27 H new ATOM 0 HB3 GLN A 39 80.527 2.533 1.858 1.00 0.27 H new ATOM 0 HG2 GLN A 39 82.562 2.376 0.417 1.00 0.31 H new ATOM 0 HG3 GLN A 39 83.109 3.935 1.000 1.00 0.31 H new ATOM 0 HE21 GLN A 39 84.860 1.861 1.399 1.00 1.10 H new ATOM 0 HE22 GLN A 39 84.863 1.364 3.094 1.00 1.10 H new ATOM 264 N GLU A 40 79.411 2.289 -0.733 1.00 0.21 N ATOM 265 CA GLU A 40 79.258 1.306 -1.803 1.00 0.21 C ATOM 266 C GLU A 40 78.977 1.989 -3.139 1.00 0.21 C ATOM 267 O GLU A 40 79.456 1.547 -4.183 1.00 0.23 O ATOM 268 CB GLU A 40 78.120 0.343 -1.466 1.00 0.18 C ATOM 269 CG GLU A 40 78.479 -0.447 -0.201 1.00 0.97 C ATOM 270 CD GLU A 40 77.416 -1.497 0.136 1.00 1.58 C ATOM 271 OE1 GLU A 40 76.357 -1.493 -0.474 1.00 1.63 O ATOM 272 OE2 GLU A 40 77.680 -2.300 1.016 1.00 2.35 O ATOM 0 H GLU A 40 78.719 2.220 0.014 1.00 0.21 H new ATOM 0 HA GLU A 40 80.192 0.751 -1.891 1.00 0.21 H new ATOM 0 HB2 GLU A 40 77.194 0.897 -1.312 1.00 0.18 H new ATOM 0 HB3 GLU A 40 77.948 -0.340 -2.298 1.00 0.18 H new ATOM 0 HG2 GLU A 40 79.443 -0.937 -0.340 1.00 0.97 H new ATOM 0 HG3 GLU A 40 78.589 0.241 0.638 1.00 0.97 H new ATOM 279 N VAL A 41 78.173 3.047 -3.101 1.00 0.20 N ATOM 280 CA VAL A 41 77.875 3.813 -4.304 1.00 0.24 C ATOM 281 C VAL A 41 79.171 4.365 -4.899 1.00 0.28 C ATOM 282 O VAL A 41 79.425 4.223 -6.094 1.00 0.31 O ATOM 283 CB VAL A 41 76.909 4.958 -3.958 1.00 0.25 C ATOM 284 CG1 VAL A 41 76.599 5.794 -5.203 1.00 0.30 C ATOM 285 CG2 VAL A 41 75.597 4.381 -3.415 1.00 0.22 C ATOM 0 H VAL A 41 77.719 3.391 -2.255 1.00 0.20 H new ATOM 0 HA VAL A 41 77.402 3.166 -5.042 1.00 0.24 H new ATOM 0 HB VAL A 41 77.382 5.590 -3.206 1.00 0.25 H new ATOM 0 HG11 VAL A 41 75.914 6.600 -4.939 1.00 0.30 H new ATOM 0 HG12 VAL A 41 77.523 6.218 -5.596 1.00 0.30 H new ATOM 0 HG13 VAL A 41 76.139 5.160 -5.961 1.00 0.30 H new ATOM 0 HG21 VAL A 41 74.915 5.195 -3.171 1.00 0.22 H new ATOM 0 HG22 VAL A 41 75.141 3.740 -4.170 1.00 0.22 H new ATOM 0 HG23 VAL A 41 75.800 3.797 -2.518 1.00 0.22 H new ATOM 295 N ASN A 42 80.006 4.958 -4.053 1.00 0.30 N ATOM 296 CA ASN A 42 81.293 5.481 -4.506 1.00 0.35 C ATOM 297 C ASN A 42 82.148 4.384 -5.146 1.00 0.36 C ATOM 298 O ASN A 42 82.908 4.647 -6.079 1.00 0.41 O ATOM 299 CB ASN A 42 82.041 6.101 -3.323 1.00 0.36 C ATOM 300 CG ASN A 42 81.259 7.295 -2.786 1.00 0.37 C ATOM 301 OD1 ASN A 42 80.956 7.352 -1.517 1.00 0.41 O flip ATOM 302 ND2 ASN A 42 80.904 8.196 -3.545 1.00 0.33 N flip ATOM 0 H ASN A 42 79.819 5.089 -3.059 1.00 0.30 H new ATOM 0 HA ASN A 42 81.104 6.243 -5.262 1.00 0.35 H new ATOM 0 HB2 ASN A 42 82.175 5.359 -2.536 1.00 0.36 H new ATOM 0 HB3 ASN A 42 83.036 6.417 -3.636 1.00 0.36 H new ATOM 0 HD21 ASN A 42 81.141 8.151 -4.536 1.00 0.33 H new ATOM 0 HD22 ASN A 42 80.373 8.988 -3.183 1.00 0.33 H new ATOM 309 N ASN A 43 82.020 3.159 -4.643 1.00 0.33 N ATOM 310 CA ASN A 43 82.782 2.027 -5.174 1.00 0.35 C ATOM 311 C ASN A 43 82.123 1.368 -6.394 1.00 0.33 C ATOM 312 O ASN A 43 82.569 0.306 -6.829 1.00 0.34 O ATOM 313 CB ASN A 43 82.978 0.978 -4.078 1.00 0.33 C ATOM 314 CG ASN A 43 83.830 1.544 -2.945 1.00 0.36 C ATOM 315 OD1 ASN A 43 84.569 2.510 -3.138 1.00 0.40 O ATOM 316 ND2 ASN A 43 83.771 0.993 -1.763 1.00 0.35 N ATOM 0 H ASN A 43 81.398 2.923 -3.870 1.00 0.33 H new ATOM 0 HA ASN A 43 83.741 2.426 -5.506 1.00 0.35 H new ATOM 0 HB2 ASN A 43 82.009 0.663 -3.690 1.00 0.33 H new ATOM 0 HB3 ASN A 43 83.458 0.093 -4.495 1.00 0.33 H new ATOM 0 HD21 ASN A 43 84.337 1.363 -0.999 1.00 0.35 H new ATOM 0 HD22 ASN A 43 83.159 0.193 -1.603 1.00 0.35 H new ATOM 323 N ASP A 44 81.063 1.967 -6.939 1.00 0.31 N ATOM 324 CA ASP A 44 80.384 1.420 -8.111 1.00 0.30 C ATOM 325 C ASP A 44 80.037 -0.059 -7.931 1.00 0.26 C ATOM 326 O ASP A 44 80.070 -0.835 -8.887 1.00 0.27 O ATOM 327 CB ASP A 44 81.274 1.598 -9.345 1.00 0.36 C ATOM 328 CG ASP A 44 80.492 1.254 -10.609 1.00 0.37 C ATOM 329 OD1 ASP A 44 79.728 2.093 -11.055 1.00 0.68 O ATOM 330 OD2 ASP A 44 80.673 0.159 -11.115 1.00 0.74 O ATOM 0 H ASP A 44 80.657 2.833 -6.585 1.00 0.31 H new ATOM 0 HA ASP A 44 79.448 1.964 -8.242 1.00 0.30 H new ATOM 0 HB2 ASP A 44 81.633 2.626 -9.399 1.00 0.36 H new ATOM 0 HB3 ASP A 44 82.152 0.957 -9.265 1.00 0.36 H new ATOM 335 N GLN A 45 79.700 -0.446 -6.705 1.00 0.23 N ATOM 336 CA GLN A 45 79.268 -1.819 -6.442 1.00 0.22 C ATOM 337 C GLN A 45 77.752 -1.993 -6.591 1.00 0.17 C ATOM 338 O GLN A 45 77.277 -3.103 -6.836 1.00 0.17 O ATOM 339 CB GLN A 45 79.712 -2.249 -5.039 1.00 0.26 C ATOM 340 CG GLN A 45 81.241 -2.218 -4.949 1.00 0.32 C ATOM 341 CD GLN A 45 81.856 -3.200 -5.944 1.00 0.62 C ATOM 342 OE1 GLN A 45 81.536 -4.389 -5.921 1.00 0.99 O ATOM 343 NE2 GLN A 45 82.705 -2.767 -6.834 1.00 0.66 N ATOM 0 H GLN A 45 79.716 0.161 -5.885 1.00 0.23 H new ATOM 0 HA GLN A 45 79.741 -2.456 -7.189 1.00 0.22 H new ATOM 0 HB2 GLN A 45 79.281 -1.584 -4.291 1.00 0.26 H new ATOM 0 HB3 GLN A 45 79.346 -3.253 -4.823 1.00 0.26 H new ATOM 0 HG2 GLN A 45 81.603 -1.210 -5.153 1.00 0.32 H new ATOM 0 HG3 GLN A 45 81.557 -2.471 -3.937 1.00 0.32 H new ATOM 0 HE21 GLN A 45 82.968 -1.782 -6.851 1.00 0.66 H new ATOM 0 HE22 GLN A 45 83.106 -3.414 -7.513 1.00 0.66 H new ATOM 352 N VAL A 46 76.987 -0.909 -6.451 1.00 0.16 N ATOM 353 CA VAL A 46 75.531 -0.992 -6.536 1.00 0.14 C ATOM 354 C VAL A 46 75.082 -1.029 -7.995 1.00 0.14 C ATOM 355 O VAL A 46 75.617 -0.306 -8.836 1.00 0.16 O ATOM 356 CB VAL A 46 74.890 0.204 -5.817 1.00 0.17 C ATOM 357 CG1 VAL A 46 73.365 0.063 -5.827 1.00 0.19 C ATOM 358 CG2 VAL A 46 75.372 0.256 -4.364 1.00 0.18 C ATOM 0 H VAL A 46 77.349 0.029 -6.280 1.00 0.16 H new ATOM 0 HA VAL A 46 75.208 -1.912 -6.049 1.00 0.14 H new ATOM 0 HB VAL A 46 75.178 1.119 -6.335 1.00 0.17 H new ATOM 0 HG11 VAL A 46 72.917 0.915 -5.315 1.00 0.19 H new ATOM 0 HG12 VAL A 46 73.009 0.031 -6.857 1.00 0.19 H new ATOM 0 HG13 VAL A 46 73.081 -0.857 -5.316 1.00 0.19 H new ATOM 0 HG21 VAL A 46 74.914 1.106 -3.859 1.00 0.18 H new ATOM 0 HG22 VAL A 46 75.089 -0.665 -3.854 1.00 0.18 H new ATOM 0 HG23 VAL A 46 76.457 0.363 -4.344 1.00 0.18 H new ATOM 368 N ARG A 47 74.098 -1.875 -8.289 1.00 0.13 N ATOM 369 CA ARG A 47 73.569 -1.983 -9.646 1.00 0.15 C ATOM 370 C ARG A 47 72.210 -1.294 -9.747 1.00 0.15 C ATOM 371 O ARG A 47 71.966 -0.499 -10.658 1.00 0.17 O ATOM 372 CB ARG A 47 73.421 -3.460 -10.020 1.00 0.15 C ATOM 373 CG ARG A 47 72.972 -3.591 -11.479 1.00 0.17 C ATOM 374 CD ARG A 47 72.711 -5.062 -11.804 1.00 0.18 C ATOM 375 NE ARG A 47 73.941 -5.843 -11.643 1.00 0.21 N ATOM 376 CZ ARG A 47 74.059 -7.125 -12.021 1.00 1.11 C ATOM 377 NH1 ARG A 47 73.068 -7.787 -12.568 1.00 2.22 N ATOM 378 NH2 ARG A 47 75.198 -7.734 -11.836 1.00 1.07 N ATOM 0 H ARG A 47 73.653 -2.493 -7.610 1.00 0.13 H new ATOM 0 HA ARG A 47 74.261 -1.495 -10.332 1.00 0.15 H new ATOM 0 HB2 ARG A 47 74.370 -3.977 -9.876 1.00 0.15 H new ATOM 0 HB3 ARG A 47 72.694 -3.938 -9.363 1.00 0.15 H new ATOM 0 HG2 ARG A 47 72.068 -3.005 -11.646 1.00 0.17 H new ATOM 0 HG3 ARG A 47 73.738 -3.192 -12.143 1.00 0.17 H new ATOM 0 HD2 ARG A 47 71.934 -5.454 -11.148 1.00 0.18 H new ATOM 0 HD3 ARG A 47 72.343 -5.156 -12.826 1.00 0.18 H new ATOM 0 HE ARG A 47 74.750 -5.388 -11.221 1.00 0.21 H new ATOM 0 HH11 ARG A 47 72.170 -7.328 -12.719 1.00 2.22 H new ATOM 0 HH12 ARG A 47 73.195 -8.761 -12.843 1.00 2.22 H new ATOM 0 HH21 ARG A 47 75.980 -7.236 -11.410 1.00 1.07 H new ATOM 0 HH22 ARG A 47 75.307 -8.709 -12.117 1.00 1.07 H new ATOM 392 N GLU A 48 71.329 -1.609 -8.801 1.00 0.14 N ATOM 393 CA GLU A 48 69.965 -1.088 -8.822 1.00 0.14 C ATOM 394 C GLU A 48 69.571 -0.525 -7.460 1.00 0.13 C ATOM 395 O GLU A 48 69.869 -1.120 -6.427 1.00 0.18 O ATOM 396 CB GLU A 48 68.999 -2.214 -9.200 1.00 0.16 C ATOM 397 CG GLU A 48 67.583 -1.649 -9.370 1.00 0.17 C ATOM 398 CD GLU A 48 66.559 -2.750 -9.667 1.00 0.61 C ATOM 399 OE1 GLU A 48 66.927 -3.917 -9.713 1.00 1.08 O ATOM 400 OE2 GLU A 48 65.402 -2.406 -9.849 1.00 0.59 O ATOM 0 H GLU A 48 71.535 -2.221 -8.012 1.00 0.14 H new ATOM 0 HA GLU A 48 69.915 -0.284 -9.556 1.00 0.14 H new ATOM 0 HB2 GLU A 48 69.324 -2.689 -10.125 1.00 0.16 H new ATOM 0 HB3 GLU A 48 69.003 -2.983 -8.428 1.00 0.16 H new ATOM 0 HG2 GLU A 48 67.293 -1.119 -8.463 1.00 0.17 H new ATOM 0 HG3 GLU A 48 67.578 -0.920 -10.181 1.00 0.17 H new ATOM 407 N ALA A 49 68.872 0.608 -7.470 1.00 0.12 N ATOM 408 CA ALA A 49 68.366 1.198 -6.234 1.00 0.13 C ATOM 409 C ALA A 49 66.900 1.600 -6.385 1.00 0.11 C ATOM 410 O ALA A 49 66.553 2.460 -7.196 1.00 0.12 O ATOM 411 CB ALA A 49 69.199 2.426 -5.862 1.00 0.18 C ATOM 0 H ALA A 49 68.644 1.133 -8.315 1.00 0.12 H new ATOM 0 HA ALA A 49 68.443 0.452 -5.443 1.00 0.13 H new ATOM 0 HB1 ALA A 49 68.815 2.860 -4.939 1.00 0.18 H new ATOM 0 HB2 ALA A 49 70.239 2.131 -5.719 1.00 0.18 H new ATOM 0 HB3 ALA A 49 69.138 3.163 -6.663 1.00 0.18 H new ATOM 417 N ARG A 50 66.037 0.946 -5.613 1.00 0.12 N ATOM 418 CA ARG A 50 64.623 1.300 -5.581 1.00 0.13 C ATOM 419 C ARG A 50 64.350 2.257 -4.424 1.00 0.16 C ATOM 420 O ARG A 50 64.794 2.016 -3.303 1.00 0.21 O ATOM 421 CB ARG A 50 63.779 0.038 -5.394 1.00 0.16 C ATOM 422 CG ARG A 50 63.937 -0.877 -6.610 1.00 0.16 C ATOM 423 CD ARG A 50 63.015 -2.088 -6.460 1.00 0.22 C ATOM 424 NE ARG A 50 63.302 -3.077 -7.504 1.00 1.33 N ATOM 425 CZ ARG A 50 64.236 -4.034 -7.382 1.00 2.05 C ATOM 426 NH1 ARG A 50 64.972 -4.160 -6.305 1.00 2.44 N ATOM 427 NH2 ARG A 50 64.416 -4.866 -8.369 1.00 2.82 N ATOM 0 H ARG A 50 66.292 0.170 -5.003 1.00 0.12 H new ATOM 0 HA ARG A 50 64.361 1.783 -6.522 1.00 0.13 H new ATOM 0 HB2 ARG A 50 64.088 -0.487 -4.490 1.00 0.16 H new ATOM 0 HB3 ARG A 50 62.731 0.307 -5.264 1.00 0.16 H new ATOM 0 HG2 ARG A 50 63.694 -0.332 -7.522 1.00 0.16 H new ATOM 0 HG3 ARG A 50 64.973 -1.204 -6.700 1.00 0.16 H new ATOM 0 HD2 ARG A 50 63.151 -2.537 -5.476 1.00 0.22 H new ATOM 0 HD3 ARG A 50 61.974 -1.772 -6.525 1.00 0.22 H new ATOM 0 HE ARG A 50 62.763 -3.036 -8.369 1.00 1.33 H new ATOM 0 HH11 ARG A 50 64.845 -3.518 -5.523 1.00 2.44 H new ATOM 0 HH12 ARG A 50 65.672 -4.900 -6.249 1.00 2.44 H new ATOM 0 HH21 ARG A 50 63.852 -4.783 -9.215 1.00 2.82 H new ATOM 0 HH22 ARG A 50 65.121 -5.600 -8.295 1.00 2.82 H new ATOM 441 N ILE A 51 63.570 3.302 -4.682 1.00 0.16 N ATOM 442 CA ILE A 51 63.247 4.287 -3.652 1.00 0.18 C ATOM 443 C ILE A 51 61.767 4.209 -3.272 1.00 0.13 C ATOM 444 O ILE A 51 60.888 4.291 -4.130 1.00 0.19 O ATOM 445 CB ILE A 51 63.578 5.694 -4.174 1.00 0.30 C ATOM 446 CG1 ILE A 51 65.063 5.767 -4.547 1.00 0.41 C ATOM 447 CG2 ILE A 51 63.278 6.751 -3.105 1.00 0.34 C ATOM 448 CD1 ILE A 51 65.345 7.076 -5.284 1.00 0.56 C ATOM 0 H ILE A 51 63.150 3.490 -5.592 1.00 0.16 H new ATOM 0 HA ILE A 51 63.840 4.074 -2.763 1.00 0.18 H new ATOM 0 HB ILE A 51 62.962 5.891 -5.051 1.00 0.30 H new ATOM 0 HG12 ILE A 51 65.677 5.705 -3.649 1.00 0.41 H new ATOM 0 HG13 ILE A 51 65.332 4.919 -5.176 1.00 0.41 H new ATOM 0 HG21 ILE A 51 63.519 7.740 -3.494 1.00 0.34 H new ATOM 0 HG22 ILE A 51 62.221 6.712 -2.841 1.00 0.34 H new ATOM 0 HG23 ILE A 51 63.880 6.553 -2.218 1.00 0.34 H new ATOM 0 HD11 ILE A 51 66.401 7.125 -5.548 1.00 0.56 H new ATOM 0 HD12 ILE A 51 64.742 7.120 -6.191 1.00 0.56 H new ATOM 0 HD13 ILE A 51 65.093 7.918 -4.640 1.00 0.56 H new ATOM 460 N ASN A 52 61.511 4.100 -1.973 1.00 0.17 N ATOM 461 CA ASN A 52 60.152 4.114 -1.447 1.00 0.18 C ATOM 462 C ASN A 52 60.109 4.961 -0.178 1.00 0.16 C ATOM 463 O ASN A 52 60.235 4.444 0.931 1.00 0.16 O ATOM 464 CB ASN A 52 59.695 2.689 -1.128 1.00 0.25 C ATOM 465 CG ASN A 52 58.230 2.689 -0.705 1.00 0.34 C ATOM 466 OD1 ASN A 52 57.914 2.342 0.513 1.00 0.88 O flip ATOM 467 ND2 ASN A 52 57.351 3.014 -1.502 1.00 0.76 N flip ATOM 0 H ASN A 52 62.234 4.000 -1.260 1.00 0.17 H new ATOM 0 HA ASN A 52 59.484 4.540 -2.196 1.00 0.18 H new ATOM 0 HB2 ASN A 52 59.829 2.052 -2.002 1.00 0.25 H new ATOM 0 HB3 ASN A 52 60.311 2.271 -0.332 1.00 0.25 H new ATOM 0 HD21 ASN A 52 57.600 3.285 -2.453 1.00 0.76 H new ATOM 0 HD22 ASN A 52 56.373 3.013 -1.211 1.00 0.76 H new ATOM 474 N GLY A 53 59.973 6.272 -0.351 1.00 0.17 N ATOM 475 CA GLY A 53 59.956 7.179 0.790 1.00 0.19 C ATOM 476 C GLY A 53 61.285 7.133 1.539 1.00 0.19 C ATOM 477 O GLY A 53 62.347 7.348 0.955 1.00 0.21 O ATOM 0 H GLY A 53 59.874 6.726 -1.259 1.00 0.17 H new ATOM 0 HA2 GLY A 53 59.761 8.196 0.449 1.00 0.19 H new ATOM 0 HA3 GLY A 53 59.144 6.907 1.464 1.00 0.19 H new ATOM 481 N ARG A 54 61.214 6.851 2.836 1.00 0.19 N ATOM 482 CA ARG A 54 62.415 6.775 3.667 1.00 0.20 C ATOM 483 C ARG A 54 63.223 5.501 3.405 1.00 0.20 C ATOM 484 O ARG A 54 64.421 5.468 3.685 1.00 0.21 O ATOM 485 CB ARG A 54 62.034 6.838 5.148 1.00 0.22 C ATOM 486 CG ARG A 54 63.289 6.989 6.011 1.00 0.24 C ATOM 487 CD ARG A 54 62.886 7.003 7.487 1.00 0.27 C ATOM 488 NE ARG A 54 64.056 7.255 8.334 1.00 0.25 N ATOM 489 CZ ARG A 54 63.971 7.622 9.622 1.00 0.38 C ATOM 490 NH1 ARG A 54 62.820 7.797 10.225 1.00 0.62 N ATOM 491 NH2 ARG A 54 65.071 7.812 10.298 1.00 0.41 N ATOM 0 H ARG A 54 60.342 6.672 3.335 1.00 0.19 H new ATOM 0 HA ARG A 54 63.041 7.628 3.404 1.00 0.20 H new ATOM 0 HB2 ARG A 54 61.361 7.677 5.322 1.00 0.22 H new ATOM 0 HB3 ARG A 54 61.496 5.934 5.431 1.00 0.22 H new ATOM 0 HG2 ARG A 54 63.979 6.167 5.818 1.00 0.24 H new ATOM 0 HG3 ARG A 54 63.812 7.911 5.756 1.00 0.24 H new ATOM 0 HD2 ARG A 54 62.133 7.772 7.658 1.00 0.27 H new ATOM 0 HD3 ARG A 54 62.433 6.049 7.756 1.00 0.27 H new ATOM 0 HE ARG A 54 64.983 7.146 7.923 1.00 0.25 H new ATOM 0 HH11 ARG A 54 61.949 7.654 9.713 1.00 0.62 H new ATOM 0 HH12 ARG A 54 62.795 8.076 11.206 1.00 0.62 H new ATOM 0 HH21 ARG A 54 65.976 7.681 9.846 1.00 0.41 H new ATOM 0 HH22 ARG A 54 65.026 8.091 11.278 1.00 0.41 H new ATOM 505 N GLU A 55 62.583 4.451 2.890 1.00 0.21 N ATOM 506 CA GLU A 55 63.253 3.165 2.736 1.00 0.23 C ATOM 507 C GLU A 55 63.788 3.002 1.318 1.00 0.21 C ATOM 508 O GLU A 55 63.122 3.359 0.350 1.00 0.23 O ATOM 509 CB GLU A 55 62.268 2.029 3.026 1.00 0.25 C ATOM 510 CG GLU A 55 61.698 2.179 4.441 1.00 0.93 C ATOM 511 CD GLU A 55 62.794 2.087 5.504 1.00 1.83 C ATOM 512 OE1 GLU A 55 63.875 1.604 5.203 1.00 2.29 O ATOM 513 OE2 GLU A 55 62.529 2.507 6.619 1.00 2.44 O ATOM 0 H GLU A 55 61.613 4.467 2.576 1.00 0.21 H new ATOM 0 HA GLU A 55 64.085 3.128 3.439 1.00 0.23 H new ATOM 0 HB2 GLU A 55 61.459 2.043 2.296 1.00 0.25 H new ATOM 0 HB3 GLU A 55 62.770 1.067 2.927 1.00 0.25 H new ATOM 0 HG2 GLU A 55 61.186 3.137 4.528 1.00 0.93 H new ATOM 0 HG3 GLU A 55 60.953 1.403 4.618 1.00 0.93 H new ATOM 520 N ILE A 56 65.003 2.474 1.197 1.00 0.18 N ATOM 521 CA ILE A 56 65.563 2.140 -0.109 1.00 0.17 C ATOM 522 C ILE A 56 65.897 0.652 -0.145 1.00 0.15 C ATOM 523 O ILE A 56 66.536 0.138 0.770 1.00 0.13 O ATOM 524 CB ILE A 56 66.840 2.948 -0.372 1.00 0.18 C ATOM 525 CG1 ILE A 56 66.545 4.443 -0.243 1.00 0.20 C ATOM 526 CG2 ILE A 56 67.351 2.662 -1.788 1.00 0.18 C ATOM 527 CD1 ILE A 56 67.853 5.236 -0.331 1.00 0.22 C ATOM 0 H ILE A 56 65.617 2.269 1.985 1.00 0.18 H new ATOM 0 HA ILE A 56 64.829 2.382 -0.878 1.00 0.17 H new ATOM 0 HB ILE A 56 67.596 2.659 0.358 1.00 0.18 H new ATOM 0 HG12 ILE A 56 65.863 4.759 -1.033 1.00 0.20 H new ATOM 0 HG13 ILE A 56 66.049 4.645 0.706 1.00 0.20 H new ATOM 0 HG21 ILE A 56 68.258 3.238 -1.971 1.00 0.18 H new ATOM 0 HG22 ILE A 56 67.570 1.599 -1.888 1.00 0.18 H new ATOM 0 HG23 ILE A 56 66.589 2.945 -2.514 1.00 0.18 H new ATOM 0 HD11 ILE A 56 67.640 6.301 -0.239 1.00 0.22 H new ATOM 0 HD12 ILE A 56 68.520 4.928 0.474 1.00 0.22 H new ATOM 0 HD13 ILE A 56 68.331 5.044 -1.291 1.00 0.22 H new ATOM 539 N ASN A 57 65.473 -0.033 -1.201 1.00 0.16 N ATOM 540 CA ASN A 57 65.829 -1.439 -1.377 1.00 0.16 C ATOM 541 C ASN A 57 66.902 -1.535 -2.455 1.00 0.15 C ATOM 542 O ASN A 57 66.739 -0.990 -3.542 1.00 0.17 O ATOM 543 CB ASN A 57 64.600 -2.251 -1.789 1.00 0.19 C ATOM 544 CG ASN A 57 63.514 -2.133 -0.725 1.00 0.24 C ATOM 545 OD1 ASN A 57 63.828 -2.276 0.534 1.00 1.23 O flip ATOM 546 ND2 ASN A 57 62.349 -1.904 -1.048 1.00 0.96 N flip ATOM 0 H ASN A 57 64.889 0.355 -1.941 1.00 0.16 H new ATOM 0 HA ASN A 57 66.206 -1.843 -0.437 1.00 0.16 H new ATOM 0 HB2 ASN A 57 64.222 -1.893 -2.747 1.00 0.19 H new ATOM 0 HB3 ASN A 57 64.874 -3.297 -1.925 1.00 0.19 H new ATOM 0 HD21 ASN A 57 62.105 -1.792 -2.032 1.00 0.96 H new ATOM 0 HD22 ASN A 57 61.627 -1.826 -0.332 1.00 0.96 H new ATOM 553 N VAL A 58 67.997 -2.226 -2.160 1.00 0.14 N ATOM 554 CA VAL A 58 69.174 -2.176 -3.028 1.00 0.13 C ATOM 555 C VAL A 58 69.607 -3.575 -3.454 1.00 0.11 C ATOM 556 O VAL A 58 69.602 -4.511 -2.654 1.00 0.10 O ATOM 557 CB VAL A 58 70.337 -1.489 -2.297 1.00 0.14 C ATOM 558 CG1 VAL A 58 71.519 -1.313 -3.255 1.00 0.15 C ATOM 559 CG2 VAL A 58 69.911 -0.109 -1.776 1.00 0.16 C ATOM 0 H VAL A 58 68.097 -2.821 -1.338 1.00 0.14 H new ATOM 0 HA VAL A 58 68.907 -1.607 -3.919 1.00 0.13 H new ATOM 0 HB VAL A 58 70.628 -2.116 -1.454 1.00 0.14 H new ATOM 0 HG11 VAL A 58 72.342 -0.825 -2.732 1.00 0.15 H new ATOM 0 HG12 VAL A 58 71.845 -2.289 -3.614 1.00 0.15 H new ATOM 0 HG13 VAL A 58 71.213 -0.699 -4.102 1.00 0.15 H new ATOM 0 HG21 VAL A 58 70.749 0.360 -1.261 1.00 0.16 H new ATOM 0 HG22 VAL A 58 69.603 0.517 -2.614 1.00 0.16 H new ATOM 0 HG23 VAL A 58 69.078 -0.223 -1.083 1.00 0.16 H new ATOM 569 N THR A 59 69.995 -3.695 -4.721 1.00 0.12 N ATOM 570 CA THR A 59 70.567 -4.935 -5.238 1.00 0.12 C ATOM 571 C THR A 59 71.985 -4.676 -5.742 1.00 0.14 C ATOM 572 O THR A 59 72.215 -3.772 -6.545 1.00 0.15 O ATOM 573 CB THR A 59 69.698 -5.466 -6.383 1.00 0.15 C ATOM 574 OG1 THR A 59 68.366 -5.640 -5.920 1.00 0.15 O ATOM 575 CG2 THR A 59 70.244 -6.806 -6.884 1.00 0.17 C ATOM 0 H THR A 59 69.923 -2.946 -5.410 1.00 0.12 H new ATOM 0 HA THR A 59 70.600 -5.677 -4.440 1.00 0.12 H new ATOM 0 HB THR A 59 69.713 -4.749 -7.204 1.00 0.15 H new ATOM 0 HG1 THR A 59 67.807 -5.978 -6.651 1.00 0.15 H new ATOM 0 HG21 THR A 59 69.618 -7.173 -7.697 1.00 0.17 H new ATOM 0 HG22 THR A 59 71.264 -6.672 -7.244 1.00 0.17 H new ATOM 0 HG23 THR A 59 70.239 -7.529 -6.068 1.00 0.17 H new ATOM 583 N LYS A 60 72.935 -5.467 -5.254 1.00 0.15 N ATOM 584 CA LYS A 60 74.322 -5.340 -5.687 1.00 0.20 C ATOM 585 C LYS A 60 74.567 -6.138 -6.961 1.00 0.24 C ATOM 586 O LYS A 60 73.839 -7.082 -7.265 1.00 0.24 O ATOM 587 CB LYS A 60 75.261 -5.856 -4.596 1.00 0.21 C ATOM 588 CG LYS A 60 75.160 -4.963 -3.360 1.00 0.87 C ATOM 589 CD LYS A 60 76.185 -5.428 -2.323 1.00 0.89 C ATOM 590 CE LYS A 60 76.021 -4.619 -1.036 1.00 1.70 C ATOM 591 NZ LYS A 60 77.280 -4.688 -0.242 1.00 1.91 N ATOM 0 H LYS A 60 72.771 -6.199 -4.562 1.00 0.15 H new ATOM 0 HA LYS A 60 74.518 -4.285 -5.880 1.00 0.20 H new ATOM 0 HB2 LYS A 60 75.002 -6.882 -4.336 1.00 0.21 H new ATOM 0 HB3 LYS A 60 76.287 -5.869 -4.963 1.00 0.21 H new ATOM 0 HG2 LYS A 60 75.344 -3.923 -3.631 1.00 0.87 H new ATOM 0 HG3 LYS A 60 74.154 -5.011 -2.943 1.00 0.87 H new ATOM 0 HD2 LYS A 60 76.051 -6.490 -2.116 1.00 0.89 H new ATOM 0 HD3 LYS A 60 77.195 -5.305 -2.715 1.00 0.89 H new ATOM 0 HE2 LYS A 60 75.785 -3.582 -1.273 1.00 1.70 H new ATOM 0 HE3 LYS A 60 75.188 -5.010 -0.452 1.00 1.70 H new ATOM 0 HZ1 LYS A 60 77.300 -3.909 0.446 1.00 1.91 H new ATOM 0 HZ2 LYS A 60 77.323 -5.596 0.262 1.00 1.91 H new ATOM 0 HZ3 LYS A 60 78.098 -4.607 -0.880 1.00 1.91 H new ATOM 605 N LYS A 61 75.620 -5.778 -7.687 1.00 0.31 N ATOM 606 CA LYS A 61 75.980 -6.511 -8.899 1.00 0.36 C ATOM 607 C LYS A 61 76.147 -8.015 -8.634 1.00 0.33 C ATOM 608 O LYS A 61 75.951 -8.829 -9.537 1.00 0.35 O ATOM 609 CB LYS A 61 77.255 -5.913 -9.509 1.00 0.46 C ATOM 610 CG LYS A 61 78.473 -6.182 -8.617 1.00 1.13 C ATOM 611 CD LYS A 61 79.696 -5.466 -9.194 1.00 1.08 C ATOM 612 CE LYS A 61 80.962 -5.983 -8.506 1.00 2.17 C ATOM 613 NZ LYS A 61 82.113 -5.105 -8.861 1.00 2.43 N ATOM 0 H LYS A 61 76.233 -4.994 -7.463 1.00 0.31 H new ATOM 0 HA LYS A 61 75.162 -6.407 -9.612 1.00 0.36 H new ATOM 0 HB2 LYS A 61 77.423 -6.340 -10.498 1.00 0.46 H new ATOM 0 HB3 LYS A 61 77.129 -4.839 -9.643 1.00 0.46 H new ATOM 0 HG2 LYS A 61 78.279 -5.833 -7.603 1.00 1.13 H new ATOM 0 HG3 LYS A 61 78.662 -7.254 -8.554 1.00 1.13 H new ATOM 0 HD2 LYS A 61 79.758 -5.637 -10.269 1.00 1.08 H new ATOM 0 HD3 LYS A 61 79.603 -4.390 -9.048 1.00 1.08 H new ATOM 0 HE2 LYS A 61 80.822 -5.998 -7.425 1.00 2.17 H new ATOM 0 HE3 LYS A 61 81.164 -7.009 -8.815 1.00 2.17 H new ATOM 0 HZ1 LYS A 61 82.892 -5.266 -8.191 1.00 2.43 H new ATOM 0 HZ2 LYS A 61 82.434 -5.327 -9.825 1.00 2.43 H new ATOM 0 HZ3 LYS A 61 81.817 -4.109 -8.815 1.00 2.43 H new ATOM 627 N ASP A 62 76.507 -8.382 -7.405 1.00 0.29 N ATOM 628 CA ASP A 62 76.750 -9.786 -7.069 1.00 0.30 C ATOM 629 C ASP A 62 75.476 -10.526 -6.636 1.00 0.28 C ATOM 630 O ASP A 62 75.559 -11.585 -6.014 1.00 0.30 O ATOM 631 CB ASP A 62 77.790 -9.867 -5.949 1.00 0.32 C ATOM 632 CG ASP A 62 78.270 -11.305 -5.776 1.00 0.40 C ATOM 633 OD1 ASP A 62 79.129 -11.717 -6.538 1.00 0.81 O ATOM 634 OD2 ASP A 62 77.771 -11.972 -4.885 1.00 1.11 O ATOM 0 H ASP A 62 76.636 -7.732 -6.629 1.00 0.29 H new ATOM 0 HA ASP A 62 77.114 -10.275 -7.973 1.00 0.30 H new ATOM 0 HB2 ASP A 62 78.636 -9.219 -6.181 1.00 0.32 H new ATOM 0 HB3 ASP A 62 77.358 -9.506 -5.016 1.00 0.32 H new ATOM 639 N SER A 63 74.299 -9.983 -6.958 1.00 0.26 N ATOM 640 CA SER A 63 73.019 -10.628 -6.637 1.00 0.28 C ATOM 641 C SER A 63 72.674 -10.588 -5.143 1.00 0.24 C ATOM 642 O SER A 63 71.586 -11.024 -4.761 1.00 0.26 O ATOM 643 CB SER A 63 73.003 -12.084 -7.118 1.00 0.36 C ATOM 644 OG SER A 63 73.569 -12.152 -8.419 1.00 1.09 O ATOM 0 H SER A 63 74.204 -9.092 -7.444 1.00 0.26 H new ATOM 0 HA SER A 63 72.260 -10.050 -7.164 1.00 0.28 H new ATOM 0 HB2 SER A 63 73.567 -12.713 -6.430 1.00 0.36 H new ATOM 0 HB3 SER A 63 71.981 -12.464 -7.132 1.00 0.36 H new ATOM 0 HG SER A 63 73.563 -13.081 -8.730 1.00 1.09 H new ATOM 650 N ASN A 64 73.570 -10.076 -4.297 1.00 0.20 N ATOM 651 CA ASN A 64 73.276 -9.954 -2.872 1.00 0.18 C ATOM 652 C ASN A 64 72.275 -8.827 -2.645 1.00 0.15 C ATOM 653 O ASN A 64 72.401 -7.756 -3.236 1.00 0.14 O ATOM 654 CB ASN A 64 74.563 -9.663 -2.097 1.00 0.19 C ATOM 655 CG ASN A 64 75.571 -10.784 -2.317 1.00 0.24 C ATOM 656 OD1 ASN A 64 76.744 -10.523 -2.585 1.00 0.85 O ATOM 657 ND2 ASN A 64 75.183 -12.027 -2.220 1.00 0.87 N ATOM 0 H ASN A 64 74.494 -9.743 -4.572 1.00 0.20 H new ATOM 0 HA ASN A 64 72.848 -10.892 -2.517 1.00 0.18 H new ATOM 0 HB2 ASN A 64 74.987 -8.713 -2.424 1.00 0.19 H new ATOM 0 HB3 ASN A 64 74.342 -9.565 -1.034 1.00 0.19 H new ATOM 0 HD21 ASN A 64 75.852 -12.783 -2.366 1.00 0.87 H new ATOM 0 HD22 ASN A 64 74.211 -12.242 -1.998 1.00 0.87 H new ATOM 664 N ARG A 65 71.280 -9.065 -1.795 1.00 0.15 N ATOM 665 CA ARG A 65 70.244 -8.064 -1.546 1.00 0.14 C ATOM 666 C ARG A 65 70.324 -7.522 -0.123 1.00 0.12 C ATOM 667 O ARG A 65 70.635 -8.246 0.827 1.00 0.14 O ATOM 668 CB ARG A 65 68.864 -8.686 -1.769 1.00 0.18 C ATOM 669 CG ARG A 65 68.723 -9.113 -3.231 1.00 0.21 C ATOM 670 CD ARG A 65 67.308 -9.638 -3.475 1.00 0.51 C ATOM 671 NE ARG A 65 67.211 -10.232 -4.812 1.00 1.47 N ATOM 672 CZ ARG A 65 67.506 -11.514 -5.076 1.00 2.00 C ATOM 673 NH1 ARG A 65 67.913 -12.344 -4.145 1.00 2.52 N ATOM 674 NH2 ARG A 65 67.386 -11.950 -6.300 1.00 2.51 N ATOM 0 H ARG A 65 71.168 -9.933 -1.271 1.00 0.15 H new ATOM 0 HA ARG A 65 70.402 -7.238 -2.239 1.00 0.14 H new ATOM 0 HB2 ARG A 65 68.732 -9.547 -1.114 1.00 0.18 H new ATOM 0 HB3 ARG A 65 68.085 -7.968 -1.513 1.00 0.18 H new ATOM 0 HG2 ARG A 65 68.927 -8.268 -3.889 1.00 0.21 H new ATOM 0 HG3 ARG A 65 69.455 -9.886 -3.467 1.00 0.21 H new ATOM 0 HD2 ARG A 65 67.053 -10.381 -2.720 1.00 0.51 H new ATOM 0 HD3 ARG A 65 66.589 -8.825 -3.378 1.00 0.51 H new ATOM 0 HE ARG A 65 66.903 -9.639 -5.583 1.00 1.47 H new ATOM 0 HH11 ARG A 65 68.014 -12.021 -3.183 1.00 2.52 H new ATOM 0 HH12 ARG A 65 68.128 -13.312 -4.383 1.00 2.52 H new ATOM 0 HH21 ARG A 65 67.072 -11.319 -7.038 1.00 2.51 H new ATOM 0 HH22 ARG A 65 67.606 -12.922 -6.519 1.00 2.51 H new ATOM 688 N TYR A 66 70.019 -6.236 0.022 1.00 0.10 N ATOM 689 CA TYR A 66 69.992 -5.617 1.341 1.00 0.10 C ATOM 690 C TYR A 66 69.033 -4.431 1.371 1.00 0.09 C ATOM 691 O TYR A 66 68.619 -3.924 0.331 1.00 0.10 O ATOM 692 CB TYR A 66 71.402 -5.180 1.746 1.00 0.10 C ATOM 693 CG TYR A 66 71.950 -3.999 0.976 1.00 0.09 C ATOM 694 CD1 TYR A 66 71.698 -2.695 1.420 1.00 0.09 C ATOM 695 CD2 TYR A 66 72.734 -4.212 -0.162 1.00 0.12 C ATOM 696 CE1 TYR A 66 72.232 -1.604 0.725 1.00 0.12 C ATOM 697 CE2 TYR A 66 73.263 -3.120 -0.860 1.00 0.15 C ATOM 698 CZ TYR A 66 73.014 -1.817 -0.415 1.00 0.15 C ATOM 699 OH TYR A 66 73.547 -0.743 -1.098 1.00 0.19 O ATOM 0 H TYR A 66 69.790 -5.609 -0.749 1.00 0.10 H new ATOM 0 HA TYR A 66 69.633 -6.355 2.059 1.00 0.10 H new ATOM 0 HB2 TYR A 66 71.399 -4.933 2.808 1.00 0.10 H new ATOM 0 HB3 TYR A 66 72.079 -6.024 1.617 1.00 0.10 H new ATOM 0 HD1 TYR A 66 71.092 -2.531 2.299 1.00 0.09 H new ATOM 0 HD2 TYR A 66 72.931 -5.218 -0.502 1.00 0.12 H new ATOM 0 HE1 TYR A 66 72.040 -0.598 1.069 1.00 0.12 H new ATOM 0 HE2 TYR A 66 73.864 -3.283 -1.743 1.00 0.15 H new ATOM 0 HH TYR A 66 72.862 -0.050 -1.203 1.00 0.19 H new ATOM 709 N THR A 67 68.683 -3.999 2.578 1.00 0.09 N ATOM 710 CA THR A 67 67.778 -2.869 2.758 1.00 0.10 C ATOM 711 C THR A 67 68.442 -1.804 3.623 1.00 0.09 C ATOM 712 O THR A 67 69.074 -2.114 4.634 1.00 0.10 O ATOM 713 CB THR A 67 66.483 -3.338 3.423 1.00 0.12 C ATOM 714 OG1 THR A 67 65.924 -4.403 2.668 1.00 0.14 O ATOM 715 CG2 THR A 67 65.488 -2.177 3.486 1.00 0.14 C ATOM 0 H THR A 67 69.013 -4.416 3.449 1.00 0.09 H new ATOM 0 HA THR A 67 67.546 -2.444 1.782 1.00 0.10 H new ATOM 0 HB THR A 67 66.698 -3.683 4.434 1.00 0.12 H new ATOM 0 HG1 THR A 67 65.095 -4.706 3.094 1.00 0.14 H new ATOM 0 HG21 THR A 67 64.566 -2.513 3.960 1.00 0.14 H new ATOM 0 HG22 THR A 67 65.918 -1.361 4.067 1.00 0.14 H new ATOM 0 HG23 THR A 67 65.271 -1.829 2.476 1.00 0.14 H new ATOM 723 N THR A 68 68.299 -0.544 3.225 1.00 0.09 N ATOM 724 CA THR A 68 68.908 0.557 3.971 1.00 0.09 C ATOM 725 C THR A 68 67.879 1.635 4.300 1.00 0.11 C ATOM 726 O THR A 68 66.946 1.873 3.534 1.00 0.14 O ATOM 727 CB THR A 68 70.059 1.161 3.158 1.00 0.10 C ATOM 728 OG1 THR A 68 70.670 2.201 3.907 1.00 0.11 O ATOM 729 CG2 THR A 68 69.536 1.718 1.831 1.00 0.12 C ATOM 0 H THR A 68 67.773 -0.259 2.399 1.00 0.09 H new ATOM 0 HA THR A 68 69.295 0.161 4.910 1.00 0.09 H new ATOM 0 HB THR A 68 70.792 0.383 2.946 1.00 0.10 H new ATOM 0 HG1 THR A 68 70.986 1.845 4.764 1.00 0.11 H new ATOM 0 HG21 THR A 68 70.364 2.144 1.264 1.00 0.12 H new ATOM 0 HG22 THR A 68 69.077 0.915 1.255 1.00 0.12 H new ATOM 0 HG23 THR A 68 68.795 2.493 2.028 1.00 0.12 H new ATOM 737 N TYR A 69 68.061 2.283 5.446 1.00 0.09 N ATOM 738 CA TYR A 69 67.167 3.360 5.859 1.00 0.10 C ATOM 739 C TYR A 69 67.834 4.710 5.626 1.00 0.10 C ATOM 740 O TYR A 69 69.039 4.852 5.844 1.00 0.09 O ATOM 741 CB TYR A 69 66.838 3.212 7.346 1.00 0.12 C ATOM 742 CG TYR A 69 66.260 1.863 7.707 1.00 0.16 C ATOM 743 CD1 TYR A 69 67.096 0.742 7.787 1.00 0.26 C ATOM 744 CD2 TYR A 69 64.891 1.736 7.968 1.00 0.16 C ATOM 745 CE1 TYR A 69 66.560 -0.506 8.125 1.00 0.30 C ATOM 746 CE2 TYR A 69 64.356 0.487 8.306 1.00 0.20 C ATOM 747 CZ TYR A 69 65.191 -0.635 8.384 1.00 0.24 C ATOM 748 OH TYR A 69 64.663 -1.865 8.718 1.00 0.29 O ATOM 0 H TYR A 69 68.815 2.083 6.103 1.00 0.09 H new ATOM 0 HA TYR A 69 66.251 3.304 5.271 1.00 0.10 H new ATOM 0 HB2 TYR A 69 67.745 3.377 7.928 1.00 0.12 H new ATOM 0 HB3 TYR A 69 66.130 3.990 7.632 1.00 0.12 H new ATOM 0 HD1 TYR A 69 68.153 0.841 7.588 1.00 0.26 H new ATOM 0 HD2 TYR A 69 64.247 2.601 7.909 1.00 0.16 H new ATOM 0 HE1 TYR A 69 67.204 -1.371 8.186 1.00 0.30 H new ATOM 0 HE2 TYR A 69 63.299 0.389 8.507 1.00 0.20 H new ATOM 0 HH TYR A 69 63.698 -1.777 8.866 1.00 0.29 H new ATOM 758 N ILE A 70 67.060 5.702 5.184 1.00 0.12 N ATOM 759 CA ILE A 70 67.615 7.038 4.972 1.00 0.13 C ATOM 760 C ILE A 70 67.343 7.924 6.195 1.00 0.13 C ATOM 761 O ILE A 70 66.199 8.348 6.372 1.00 0.16 O ATOM 762 CB ILE A 70 66.982 7.729 3.756 1.00 0.17 C ATOM 763 CG1 ILE A 70 66.933 6.805 2.532 1.00 0.18 C ATOM 764 CG2 ILE A 70 67.830 8.950 3.401 1.00 0.19 C ATOM 765 CD1 ILE A 70 66.048 7.449 1.462 1.00 0.34 C ATOM 0 H ILE A 70 66.067 5.609 4.970 1.00 0.12 H new ATOM 0 HA ILE A 70 68.685 6.912 4.806 1.00 0.13 H new ATOM 0 HB ILE A 70 65.960 8.006 4.016 1.00 0.17 H new ATOM 0 HG12 ILE A 70 67.938 6.642 2.142 1.00 0.18 H new ATOM 0 HG13 ILE A 70 66.537 5.829 2.812 1.00 0.18 H new ATOM 0 HG21 ILE A 70 67.396 9.456 2.538 1.00 0.19 H new ATOM 0 HG22 ILE A 70 67.854 9.635 4.249 1.00 0.19 H new ATOM 0 HG23 ILE A 70 68.845 8.631 3.163 1.00 0.19 H new ATOM 0 HD11 ILE A 70 66.006 6.801 0.587 1.00 0.34 H new ATOM 0 HD12 ILE A 70 65.042 7.590 1.858 1.00 0.34 H new ATOM 0 HD13 ILE A 70 66.465 8.415 1.178 1.00 0.34 H new ATOM 777 N PRO A 71 68.318 8.218 7.034 1.00 0.13 N ATOM 778 CA PRO A 71 68.072 9.086 8.228 1.00 0.14 C ATOM 779 C PRO A 71 67.483 10.444 7.840 1.00 0.14 C ATOM 780 O PRO A 71 66.574 10.944 8.502 1.00 0.14 O ATOM 781 CB PRO A 71 69.443 9.237 8.905 1.00 0.16 C ATOM 782 CG PRO A 71 70.454 8.684 7.958 1.00 0.18 C ATOM 783 CD PRO A 71 69.716 7.748 7.002 1.00 0.16 C ATOM 0 HA PRO A 71 67.336 8.641 8.897 1.00 0.14 H new ATOM 0 HB2 PRO A 71 69.652 10.284 9.126 1.00 0.16 H new ATOM 0 HB3 PRO A 71 69.467 8.700 9.853 1.00 0.16 H new ATOM 0 HG2 PRO A 71 70.945 9.487 7.408 1.00 0.18 H new ATOM 0 HG3 PRO A 71 71.233 8.146 8.498 1.00 0.18 H new ATOM 0 HD2 PRO A 71 70.130 7.801 5.995 1.00 0.16 H new ATOM 0 HD3 PRO A 71 69.793 6.710 7.324 1.00 0.16 H new ATOM 791 N VAL A 72 68.004 11.032 6.769 1.00 0.16 N ATOM 792 CA VAL A 72 67.452 12.269 6.229 1.00 0.19 C ATOM 793 C VAL A 72 67.525 12.227 4.705 1.00 0.21 C ATOM 794 O VAL A 72 68.544 11.827 4.142 1.00 0.30 O ATOM 795 CB VAL A 72 68.229 13.480 6.760 1.00 0.20 C ATOM 796 CG1 VAL A 72 67.582 14.770 6.252 1.00 1.34 C ATOM 797 CG2 VAL A 72 68.204 13.476 8.291 1.00 1.40 C ATOM 0 H VAL A 72 68.809 10.671 6.257 1.00 0.16 H new ATOM 0 HA VAL A 72 66.413 12.365 6.543 1.00 0.19 H new ATOM 0 HB VAL A 72 69.260 13.424 6.410 1.00 0.20 H new ATOM 0 HG11 VAL A 72 68.136 15.629 6.631 1.00 1.34 H new ATOM 0 HG12 VAL A 72 67.598 14.780 5.162 1.00 1.34 H new ATOM 0 HG13 VAL A 72 66.551 14.821 6.601 1.00 1.34 H new ATOM 0 HG21 VAL A 72 68.757 14.337 8.666 1.00 1.40 H new ATOM 0 HG22 VAL A 72 67.172 13.528 8.638 1.00 1.40 H new ATOM 0 HG23 VAL A 72 68.665 12.560 8.660 1.00 1.40 H new ATOM 807 N GLN A 73 66.454 12.651 4.039 1.00 0.34 N ATOM 808 CA GLN A 73 66.405 12.585 2.582 1.00 0.41 C ATOM 809 C GLN A 73 67.570 13.358 1.970 1.00 0.28 C ATOM 810 O GLN A 73 67.830 14.504 2.337 1.00 0.37 O ATOM 811 CB GLN A 73 65.082 13.162 2.076 1.00 0.66 C ATOM 812 CG GLN A 73 63.925 12.282 2.554 1.00 1.37 C ATOM 813 CD GLN A 73 62.584 12.883 2.137 1.00 1.56 C ATOM 814 OE1 GLN A 73 62.499 14.068 1.812 1.00 1.56 O ATOM 815 NE2 GLN A 73 61.520 12.127 2.125 1.00 2.32 N ATOM 0 H GLN A 73 65.619 13.039 4.478 1.00 0.34 H new ATOM 0 HA GLN A 73 66.482 11.540 2.282 1.00 0.41 H new ATOM 0 HB2 GLN A 73 64.954 14.181 2.442 1.00 0.66 H new ATOM 0 HB3 GLN A 73 65.088 13.213 0.987 1.00 0.66 H new ATOM 0 HG2 GLN A 73 64.026 11.280 2.136 1.00 1.37 H new ATOM 0 HG3 GLN A 73 63.962 12.180 3.639 1.00 1.37 H new ATOM 0 HE21 GLN A 73 61.589 11.145 2.394 1.00 2.32 H new ATOM 0 HE22 GLN A 73 60.620 12.518 1.847 1.00 2.32 H new ATOM 824 N ASP A 74 68.267 12.719 1.034 1.00 0.27 N ATOM 825 CA ASP A 74 69.425 13.332 0.389 1.00 0.39 C ATOM 826 C ASP A 74 69.181 13.466 -1.121 1.00 0.34 C ATOM 827 O ASP A 74 69.502 12.546 -1.875 1.00 0.32 O ATOM 828 CB ASP A 74 70.657 12.457 0.648 1.00 0.60 C ATOM 829 CG ASP A 74 71.920 13.312 0.686 1.00 1.00 C ATOM 830 OD1 ASP A 74 72.187 13.985 -0.296 1.00 1.52 O ATOM 831 OD2 ASP A 74 72.600 13.280 1.699 1.00 1.61 O ATOM 0 H ASP A 74 68.050 11.778 0.705 1.00 0.27 H new ATOM 0 HA ASP A 74 69.589 14.328 0.800 1.00 0.39 H new ATOM 0 HB2 ASP A 74 70.541 11.926 1.593 1.00 0.60 H new ATOM 0 HB3 ASP A 74 70.745 11.702 -0.133 1.00 0.60 H new ATOM 836 N PRO A 75 68.621 14.565 -1.584 1.00 0.36 N ATOM 837 CA PRO A 75 68.342 14.743 -3.047 1.00 0.36 C ATOM 838 C PRO A 75 69.603 14.632 -3.901 1.00 0.29 C ATOM 839 O PRO A 75 69.543 14.221 -5.059 1.00 0.30 O ATOM 840 CB PRO A 75 67.747 16.152 -3.147 1.00 0.47 C ATOM 841 CG PRO A 75 67.210 16.435 -1.788 1.00 0.53 C ATOM 842 CD PRO A 75 68.178 15.753 -0.827 1.00 0.45 C ATOM 0 HA PRO A 75 67.676 13.966 -3.422 1.00 0.36 H new ATOM 0 HB2 PRO A 75 68.504 16.882 -3.433 1.00 0.47 H new ATOM 0 HB3 PRO A 75 66.961 16.197 -3.900 1.00 0.47 H new ATOM 0 HG2 PRO A 75 67.158 17.507 -1.600 1.00 0.53 H new ATOM 0 HG3 PRO A 75 66.200 16.042 -1.674 1.00 0.53 H new ATOM 0 HD2 PRO A 75 69.015 16.402 -0.570 1.00 0.45 H new ATOM 0 HD3 PRO A 75 67.690 15.476 0.108 1.00 0.45 H new ATOM 850 N LYS A 76 70.743 15.001 -3.324 1.00 0.26 N ATOM 851 CA LYS A 76 72.010 14.936 -4.049 1.00 0.26 C ATOM 852 C LYS A 76 72.355 13.500 -4.448 1.00 0.22 C ATOM 853 O LYS A 76 72.941 13.264 -5.506 1.00 0.22 O ATOM 854 CB LYS A 76 73.135 15.524 -3.196 1.00 0.28 C ATOM 855 CG LYS A 76 74.422 15.603 -4.021 1.00 0.36 C ATOM 856 CD LYS A 76 75.563 16.117 -3.142 1.00 0.82 C ATOM 857 CE LYS A 76 76.805 16.352 -4.002 1.00 0.97 C ATOM 858 NZ LYS A 76 76.632 17.604 -4.792 1.00 1.84 N ATOM 0 H LYS A 76 70.817 15.345 -2.367 1.00 0.26 H new ATOM 0 HA LYS A 76 71.902 15.522 -4.961 1.00 0.26 H new ATOM 0 HB2 LYS A 76 72.856 16.517 -2.844 1.00 0.28 H new ATOM 0 HB3 LYS A 76 73.295 14.906 -2.313 1.00 0.28 H new ATOM 0 HG2 LYS A 76 74.671 14.620 -4.420 1.00 0.36 H new ATOM 0 HG3 LYS A 76 74.279 16.266 -4.874 1.00 0.36 H new ATOM 0 HD2 LYS A 76 75.268 17.044 -2.650 1.00 0.82 H new ATOM 0 HD3 LYS A 76 75.784 15.395 -2.356 1.00 0.82 H new ATOM 0 HE2 LYS A 76 77.690 16.428 -3.370 1.00 0.97 H new ATOM 0 HE3 LYS A 76 76.963 15.506 -4.671 1.00 0.97 H new ATOM 0 HZ1 LYS A 76 77.549 17.893 -5.189 1.00 1.84 H new ATOM 0 HZ2 LYS A 76 75.957 17.436 -5.565 1.00 1.84 H new ATOM 0 HZ3 LYS A 76 76.270 18.357 -4.174 1.00 1.84 H new ATOM 872 N LEU A 77 71.975 12.537 -3.611 1.00 0.20 N ATOM 873 CA LEU A 77 72.293 11.139 -3.880 1.00 0.20 C ATOM 874 C LEU A 77 71.736 10.710 -5.235 1.00 0.19 C ATOM 875 O LEU A 77 72.389 9.976 -5.976 1.00 0.19 O ATOM 876 CB LEU A 77 71.705 10.254 -2.779 1.00 0.23 C ATOM 877 CG LEU A 77 72.148 8.803 -2.983 1.00 0.25 C ATOM 878 CD1 LEU A 77 73.640 8.674 -2.675 1.00 0.26 C ATOM 879 CD2 LEU A 77 71.352 7.893 -2.045 1.00 0.27 C ATOM 0 H LEU A 77 71.452 12.697 -2.750 1.00 0.20 H new ATOM 0 HA LEU A 77 73.377 11.028 -3.898 1.00 0.20 H new ATOM 0 HB2 LEU A 77 72.032 10.609 -1.802 1.00 0.23 H new ATOM 0 HB3 LEU A 77 70.617 10.316 -2.793 1.00 0.23 H new ATOM 0 HG LEU A 77 71.967 8.510 -4.017 1.00 0.25 H new ATOM 0 HD11 LEU A 77 73.954 7.640 -2.821 1.00 0.26 H new ATOM 0 HD12 LEU A 77 74.207 9.323 -3.343 1.00 0.26 H new ATOM 0 HD13 LEU A 77 73.825 8.967 -1.641 1.00 0.26 H new ATOM 0 HD21 LEU A 77 71.666 6.859 -2.188 1.00 0.27 H new ATOM 0 HD22 LEU A 77 71.534 8.187 -1.011 1.00 0.27 H new ATOM 0 HD23 LEU A 77 70.289 7.984 -2.266 1.00 0.27 H new ATOM 891 N LEU A 78 70.543 11.191 -5.568 1.00 0.20 N ATOM 892 CA LEU A 78 69.912 10.820 -6.830 1.00 0.24 C ATOM 893 C LEU A 78 70.801 11.225 -8.000 1.00 0.21 C ATOM 894 O LEU A 78 71.057 10.432 -8.905 1.00 0.22 O ATOM 895 CB LEU A 78 68.551 11.508 -6.956 1.00 0.31 C ATOM 896 CG LEU A 78 67.659 11.121 -5.774 1.00 0.37 C ATOM 897 CD1 LEU A 78 66.343 11.897 -5.853 1.00 0.45 C ATOM 898 CD2 LEU A 78 67.359 9.620 -5.822 1.00 0.47 C ATOM 0 H LEU A 78 69.999 11.831 -4.990 1.00 0.20 H new ATOM 0 HA LEU A 78 69.771 9.739 -6.847 1.00 0.24 H new ATOM 0 HB2 LEU A 78 68.682 12.590 -6.985 1.00 0.31 H new ATOM 0 HB3 LEU A 78 68.074 11.220 -7.893 1.00 0.31 H new ATOM 0 HG LEU A 78 68.174 11.360 -4.844 1.00 0.37 H new ATOM 0 HD11 LEU A 78 65.707 11.622 -5.011 1.00 0.45 H new ATOM 0 HD12 LEU A 78 66.549 12.967 -5.818 1.00 0.45 H new ATOM 0 HD13 LEU A 78 65.834 11.656 -6.786 1.00 0.45 H new ATOM 0 HD21 LEU A 78 66.724 9.349 -4.979 1.00 0.47 H new ATOM 0 HD22 LEU A 78 66.847 9.381 -6.754 1.00 0.47 H new ATOM 0 HD23 LEU A 78 68.293 9.060 -5.768 1.00 0.47 H new ATOM 910 N ASP A 79 71.310 12.450 -7.951 1.00 0.20 N ATOM 911 CA ASP A 79 72.143 12.958 -9.034 1.00 0.23 C ATOM 912 C ASP A 79 73.378 12.085 -9.220 1.00 0.22 C ATOM 913 O ASP A 79 73.767 11.779 -10.347 1.00 0.25 O ATOM 914 CB ASP A 79 72.570 14.397 -8.739 1.00 0.24 C ATOM 915 CG ASP A 79 73.279 14.990 -9.952 1.00 0.87 C ATOM 916 OD1 ASP A 79 72.594 15.463 -10.842 1.00 1.83 O ATOM 917 OD2 ASP A 79 74.499 14.960 -9.973 1.00 0.84 O ATOM 0 H ASP A 79 71.163 13.104 -7.182 1.00 0.20 H new ATOM 0 HA ASP A 79 71.558 12.936 -9.953 1.00 0.23 H new ATOM 0 HB2 ASP A 79 71.697 15.000 -8.487 1.00 0.24 H new ATOM 0 HB3 ASP A 79 73.233 14.418 -7.874 1.00 0.24 H new ATOM 922 N ASN A 80 73.979 11.667 -8.111 1.00 0.20 N ATOM 923 CA ASN A 80 75.179 10.839 -8.180 1.00 0.22 C ATOM 924 C ASN A 80 74.894 9.533 -8.916 1.00 0.23 C ATOM 925 O ASN A 80 75.610 9.162 -9.848 1.00 0.26 O ATOM 926 CB ASN A 80 75.668 10.526 -6.764 1.00 0.22 C ATOM 927 CG ASN A 80 77.102 10.010 -6.808 1.00 0.27 C ATOM 928 OD1 ASN A 80 78.008 10.727 -7.236 1.00 0.64 O ATOM 929 ND2 ASN A 80 77.365 8.802 -6.392 1.00 0.66 N ATOM 0 H ASN A 80 73.661 11.884 -7.166 1.00 0.20 H new ATOM 0 HA ASN A 80 75.946 11.388 -8.726 1.00 0.22 H new ATOM 0 HB2 ASN A 80 75.614 11.422 -6.146 1.00 0.22 H new ATOM 0 HB3 ASN A 80 75.019 9.781 -6.303 1.00 0.22 H new ATOM 0 HD21 ASN A 80 78.322 8.450 -6.421 1.00 0.66 H new ATOM 0 HD22 ASN A 80 76.614 8.210 -6.038 1.00 0.66 H new ATOM 936 N LEU A 81 73.823 8.853 -8.521 1.00 0.20 N ATOM 937 CA LEU A 81 73.475 7.579 -9.139 1.00 0.21 C ATOM 938 C LEU A 81 73.263 7.731 -10.640 1.00 0.24 C ATOM 939 O LEU A 81 73.609 6.831 -11.405 1.00 0.27 O ATOM 940 CB LEU A 81 72.204 7.015 -8.498 1.00 0.20 C ATOM 941 CG LEU A 81 72.415 6.833 -6.993 1.00 0.20 C ATOM 942 CD1 LEU A 81 71.104 6.380 -6.346 1.00 0.19 C ATOM 943 CD2 LEU A 81 73.488 5.768 -6.748 1.00 0.24 C ATOM 0 H LEU A 81 73.187 9.158 -7.784 1.00 0.20 H new ATOM 0 HA LEU A 81 74.305 6.891 -8.977 1.00 0.21 H new ATOM 0 HB2 LEU A 81 71.366 7.689 -8.678 1.00 0.20 H new ATOM 0 HB3 LEU A 81 71.949 6.060 -8.956 1.00 0.20 H new ATOM 0 HG LEU A 81 72.734 7.780 -6.558 1.00 0.20 H new ATOM 0 HD11 LEU A 81 71.253 6.250 -5.274 1.00 0.19 H new ATOM 0 HD12 LEU A 81 70.335 7.133 -6.517 1.00 0.19 H new ATOM 0 HD13 LEU A 81 70.789 5.434 -6.786 1.00 0.19 H new ATOM 0 HD21 LEU A 81 73.636 5.641 -5.676 1.00 0.24 H new ATOM 0 HD22 LEU A 81 73.168 4.822 -7.185 1.00 0.24 H new ATOM 0 HD23 LEU A 81 74.425 6.082 -7.209 1.00 0.24 H new ATOM 955 N LEU A 82 72.693 8.858 -11.060 1.00 0.25 N ATOM 956 CA LEU A 82 72.463 9.083 -12.484 1.00 0.29 C ATOM 957 C LEU A 82 73.784 9.221 -13.237 1.00 0.32 C ATOM 958 O LEU A 82 73.959 8.615 -14.293 1.00 0.36 O ATOM 959 CB LEU A 82 71.603 10.330 -12.702 1.00 0.30 C ATOM 960 CG LEU A 82 70.230 10.135 -12.054 1.00 0.29 C ATOM 961 CD1 LEU A 82 69.441 11.443 -12.130 1.00 0.32 C ATOM 962 CD2 LEU A 82 69.463 9.041 -12.799 1.00 0.32 C ATOM 0 H LEU A 82 72.387 9.615 -10.449 1.00 0.25 H new ATOM 0 HA LEU A 82 71.931 8.216 -12.876 1.00 0.29 H new ATOM 0 HB2 LEU A 82 72.097 11.202 -12.274 1.00 0.30 H new ATOM 0 HB3 LEU A 82 71.488 10.521 -13.769 1.00 0.30 H new ATOM 0 HG LEU A 82 70.361 9.845 -11.012 1.00 0.29 H new ATOM 0 HD11 LEU A 82 68.463 11.305 -11.669 1.00 0.32 H new ATOM 0 HD12 LEU A 82 69.984 12.227 -11.602 1.00 0.32 H new ATOM 0 HD13 LEU A 82 69.313 11.730 -13.174 1.00 0.32 H new ATOM 0 HD21 LEU A 82 68.486 8.903 -12.337 1.00 0.32 H new ATOM 0 HD22 LEU A 82 69.334 9.333 -13.841 1.00 0.32 H new ATOM 0 HD23 LEU A 82 70.023 8.107 -12.750 1.00 0.32 H new ATOM 974 N THR A 83 74.727 9.972 -12.675 1.00 0.32 N ATOM 975 CA THR A 83 76.023 10.158 -13.328 1.00 0.36 C ATOM 976 C THR A 83 76.755 8.828 -13.523 1.00 0.37 C ATOM 977 O THR A 83 77.477 8.653 -14.505 1.00 0.41 O ATOM 978 CB THR A 83 76.891 11.099 -12.489 1.00 0.36 C ATOM 979 OG1 THR A 83 76.170 12.294 -12.229 1.00 0.40 O ATOM 980 CG2 THR A 83 78.174 11.434 -13.252 1.00 0.32 C ATOM 0 H THR A 83 74.623 10.456 -11.783 1.00 0.32 H new ATOM 0 HA THR A 83 75.842 10.591 -14.312 1.00 0.36 H new ATOM 0 HB THR A 83 77.148 10.613 -11.548 1.00 0.36 H new ATOM 0 HG1 THR A 83 75.519 12.134 -11.514 1.00 0.40 H new ATOM 0 HG21 THR A 83 78.790 12.104 -12.652 1.00 0.32 H new ATOM 0 HG22 THR A 83 78.727 10.517 -13.454 1.00 0.32 H new ATOM 0 HG23 THR A 83 77.921 11.920 -14.194 1.00 0.32 H new ATOM 988 N LYS A 84 76.568 7.895 -12.593 1.00 0.34 N ATOM 989 CA LYS A 84 77.192 6.575 -12.704 1.00 0.36 C ATOM 990 C LYS A 84 76.407 5.589 -13.581 1.00 0.36 C ATOM 991 O LYS A 84 76.839 4.449 -13.750 1.00 0.37 O ATOM 992 CB LYS A 84 77.432 5.978 -11.317 1.00 0.35 C ATOM 993 CG LYS A 84 78.417 6.865 -10.553 1.00 0.38 C ATOM 994 CD LYS A 84 78.908 6.133 -9.301 1.00 1.08 C ATOM 995 CE LYS A 84 77.745 5.934 -8.328 1.00 1.07 C ATOM 996 NZ LYS A 84 77.000 4.695 -8.684 1.00 2.15 N ATOM 0 H LYS A 84 75.994 8.024 -11.760 1.00 0.34 H new ATOM 0 HA LYS A 84 78.146 6.735 -13.207 1.00 0.36 H new ATOM 0 HB2 LYS A 84 76.491 5.905 -10.771 1.00 0.35 H new ATOM 0 HB3 LYS A 84 77.828 4.967 -11.407 1.00 0.35 H new ATOM 0 HG2 LYS A 84 79.263 7.120 -11.192 1.00 0.38 H new ATOM 0 HG3 LYS A 84 77.936 7.802 -10.273 1.00 0.38 H new ATOM 0 HD2 LYS A 84 79.333 5.168 -9.576 1.00 1.08 H new ATOM 0 HD3 LYS A 84 79.702 6.706 -8.821 1.00 1.08 H new ATOM 0 HE2 LYS A 84 78.120 5.864 -7.307 1.00 1.07 H new ATOM 0 HE3 LYS A 84 77.077 6.795 -8.364 1.00 1.07 H new ATOM 0 HZ1 LYS A 84 76.017 4.937 -8.922 1.00 2.15 H new ATOM 0 HZ2 LYS A 84 77.453 4.241 -9.503 1.00 2.15 H new ATOM 0 HZ3 LYS A 84 77.009 4.040 -7.876 1.00 2.15 H new ATOM 1010 N ASN A 85 75.255 6.001 -14.112 1.00 0.35 N ATOM 1011 CA ASN A 85 74.424 5.122 -14.931 1.00 0.36 C ATOM 1012 C ASN A 85 73.923 3.927 -14.120 1.00 0.33 C ATOM 1013 O ASN A 85 73.925 2.789 -14.590 1.00 0.35 O ATOM 1014 CB ASN A 85 75.202 4.646 -16.162 1.00 0.42 C ATOM 1015 CG ASN A 85 75.739 5.843 -16.940 1.00 0.43 C ATOM 1016 OD1 ASN A 85 75.032 6.835 -17.118 1.00 0.85 O ATOM 1017 ND2 ASN A 85 76.953 5.808 -17.416 1.00 0.94 N ATOM 0 H ASN A 85 74.877 6.940 -13.988 1.00 0.35 H new ATOM 0 HA ASN A 85 73.556 5.691 -15.264 1.00 0.36 H new ATOM 0 HB2 ASN A 85 76.027 4.003 -15.854 1.00 0.42 H new ATOM 0 HB3 ASN A 85 74.554 4.048 -16.802 1.00 0.42 H new ATOM 0 HD21 ASN A 85 77.319 6.604 -17.938 1.00 0.94 H new ATOM 0 HD22 ASN A 85 77.536 4.984 -17.267 1.00 0.94 H new ATOM 1024 N VAL A 86 73.480 4.196 -12.895 1.00 0.30 N ATOM 1025 CA VAL A 86 72.886 3.156 -12.061 1.00 0.26 C ATOM 1026 C VAL A 86 71.367 3.190 -12.212 1.00 0.23 C ATOM 1027 O VAL A 86 70.773 4.266 -12.300 1.00 0.26 O ATOM 1028 CB VAL A 86 73.271 3.370 -10.592 1.00 0.26 C ATOM 1029 CG1 VAL A 86 72.704 2.236 -9.732 1.00 0.24 C ATOM 1030 CG2 VAL A 86 74.795 3.379 -10.457 1.00 0.30 C ATOM 0 H VAL A 86 73.520 5.118 -12.460 1.00 0.30 H new ATOM 0 HA VAL A 86 73.261 2.184 -12.381 1.00 0.26 H new ATOM 0 HB VAL A 86 72.862 4.323 -10.256 1.00 0.26 H new ATOM 0 HG11 VAL A 86 72.982 2.396 -8.690 1.00 0.24 H new ATOM 0 HG12 VAL A 86 71.618 2.221 -9.820 1.00 0.24 H new ATOM 0 HG13 VAL A 86 73.108 1.283 -10.074 1.00 0.24 H new ATOM 0 HG21 VAL A 86 75.067 3.531 -9.412 1.00 0.30 H new ATOM 0 HG22 VAL A 86 75.196 2.426 -10.801 1.00 0.30 H new ATOM 0 HG23 VAL A 86 75.209 4.186 -11.061 1.00 0.30 H new ATOM 1040 N LYS A 87 70.743 2.016 -12.239 1.00 0.21 N ATOM 1041 CA LYS A 87 69.303 1.944 -12.458 1.00 0.23 C ATOM 1042 C LYS A 87 68.562 2.542 -11.268 1.00 0.21 C ATOM 1043 O LYS A 87 68.858 2.220 -10.119 1.00 0.23 O ATOM 1044 CB LYS A 87 68.872 0.488 -12.658 1.00 0.24 C ATOM 1045 CG LYS A 87 67.391 0.428 -13.039 1.00 0.30 C ATOM 1046 CD LYS A 87 67.211 0.857 -14.498 1.00 0.86 C ATOM 1047 CE LYS A 87 65.742 0.703 -14.896 1.00 1.03 C ATOM 1048 NZ LYS A 87 65.571 1.094 -16.324 1.00 1.92 N ATOM 0 H LYS A 87 71.204 1.115 -12.114 1.00 0.21 H new ATOM 0 HA LYS A 87 69.057 2.514 -13.354 1.00 0.23 H new ATOM 0 HB2 LYS A 87 69.476 0.025 -13.439 1.00 0.24 H new ATOM 0 HB3 LYS A 87 69.044 -0.080 -11.744 1.00 0.24 H new ATOM 0 HG2 LYS A 87 67.011 -0.584 -12.899 1.00 0.30 H new ATOM 0 HG3 LYS A 87 66.811 1.080 -12.385 1.00 0.30 H new ATOM 0 HD2 LYS A 87 67.527 1.892 -14.626 1.00 0.86 H new ATOM 0 HD3 LYS A 87 67.841 0.249 -15.148 1.00 0.86 H new ATOM 0 HE2 LYS A 87 65.420 -0.328 -14.749 1.00 1.03 H new ATOM 0 HE3 LYS A 87 65.114 1.326 -14.259 1.00 1.03 H new ATOM 0 HZ1 LYS A 87 64.572 0.990 -16.595 1.00 1.92 H new ATOM 0 HZ2 LYS A 87 65.862 2.084 -16.450 1.00 1.92 H new ATOM 0 HZ3 LYS A 87 66.159 0.481 -16.924 1.00 1.92 H new ATOM 1062 N VAL A 88 67.570 3.384 -11.545 1.00 0.22 N ATOM 1063 CA VAL A 88 66.817 4.046 -10.481 1.00 0.20 C ATOM 1064 C VAL A 88 65.320 3.832 -10.685 1.00 0.21 C ATOM 1065 O VAL A 88 64.794 4.038 -11.779 1.00 0.25 O ATOM 1066 CB VAL A 88 67.132 5.548 -10.462 1.00 0.24 C ATOM 1067 CG1 VAL A 88 66.417 6.215 -9.283 1.00 0.24 C ATOM 1068 CG2 VAL A 88 68.642 5.760 -10.310 1.00 0.26 C ATOM 0 H VAL A 88 67.270 3.624 -12.490 1.00 0.22 H new ATOM 0 HA VAL A 88 67.111 3.612 -9.525 1.00 0.20 H new ATOM 0 HB VAL A 88 66.790 5.990 -11.398 1.00 0.24 H new ATOM 0 HG11 VAL A 88 66.645 7.281 -9.275 1.00 0.24 H new ATOM 0 HG12 VAL A 88 65.341 6.075 -9.384 1.00 0.24 H new ATOM 0 HG13 VAL A 88 66.756 5.765 -8.350 1.00 0.24 H new ATOM 0 HG21 VAL A 88 68.860 6.828 -10.297 1.00 0.26 H new ATOM 0 HG22 VAL A 88 68.981 5.309 -9.377 1.00 0.26 H new ATOM 0 HG23 VAL A 88 69.161 5.294 -11.148 1.00 0.26 H new ATOM 1078 N VAL A 89 64.643 3.418 -9.619 1.00 0.19 N ATOM 1079 CA VAL A 89 63.198 3.192 -9.671 1.00 0.22 C ATOM 1080 C VAL A 89 62.505 4.054 -8.623 1.00 0.22 C ATOM 1081 O VAL A 89 62.916 4.069 -7.465 1.00 0.19 O ATOM 1082 CB VAL A 89 62.867 1.721 -9.385 1.00 0.24 C ATOM 1083 CG1 VAL A 89 61.373 1.485 -9.622 1.00 0.21 C ATOM 1084 CG2 VAL A 89 63.677 0.797 -10.301 1.00 0.30 C ATOM 0 H VAL A 89 65.067 3.232 -8.710 1.00 0.19 H new ATOM 0 HA VAL A 89 62.850 3.454 -10.670 1.00 0.22 H new ATOM 0 HB VAL A 89 63.123 1.499 -8.349 1.00 0.24 H new ATOM 0 HG11 VAL A 89 61.133 0.441 -9.420 1.00 0.21 H new ATOM 0 HG12 VAL A 89 60.794 2.126 -8.957 1.00 0.21 H new ATOM 0 HG13 VAL A 89 61.127 1.720 -10.658 1.00 0.21 H new ATOM 0 HG21 VAL A 89 63.428 -0.241 -10.083 1.00 0.30 H new ATOM 0 HG22 VAL A 89 63.438 1.016 -11.342 1.00 0.30 H new ATOM 0 HG23 VAL A 89 64.742 0.958 -10.131 1.00 0.30 H new ATOM 1094 N GLY A 90 61.447 4.757 -9.018 1.00 0.27 N ATOM 1095 CA GLY A 90 60.689 5.572 -8.070 1.00 0.30 C ATOM 1096 C GLY A 90 59.317 4.963 -7.807 1.00 0.50 C ATOM 1097 O GLY A 90 58.578 4.652 -8.740 1.00 0.73 O ATOM 0 H GLY A 90 61.097 4.780 -9.976 1.00 0.27 H new ATOM 0 HA2 GLY A 90 61.240 5.655 -7.133 1.00 0.30 H new ATOM 0 HA3 GLY A 90 60.574 6.582 -8.463 1.00 0.30 H new ATOM 1101 N GLU A 91 58.982 4.793 -6.531 1.00 0.55 N ATOM 1102 CA GLU A 91 57.670 4.275 -6.163 1.00 0.91 C ATOM 1103 C GLU A 91 57.279 4.758 -4.763 1.00 1.23 C ATOM 1104 O GLU A 91 57.523 4.050 -3.784 1.00 1.39 O ATOM 1105 CB GLU A 91 57.678 2.744 -6.203 1.00 1.05 C ATOM 1106 CG GLU A 91 57.517 2.268 -7.647 1.00 1.70 C ATOM 1107 CD GLU A 91 57.157 0.787 -7.669 1.00 2.42 C ATOM 1108 OE1 GLU A 91 58.069 -0.024 -7.651 1.00 2.75 O ATOM 1109 OE2 GLU A 91 55.976 0.484 -7.705 1.00 3.17 O ATOM 0 H GLU A 91 59.594 5.004 -5.743 1.00 0.55 H new ATOM 0 HA GLU A 91 56.937 4.646 -6.880 1.00 0.91 H new ATOM 0 HB2 GLU A 91 58.611 2.364 -5.786 1.00 1.05 H new ATOM 0 HB3 GLU A 91 56.870 2.350 -5.587 1.00 1.05 H new ATOM 0 HG2 GLU A 91 56.740 2.847 -8.145 1.00 1.70 H new ATOM 0 HG3 GLU A 91 58.442 2.434 -8.199 1.00 1.70 H new ATOM 1116 N PRO A 92 56.695 5.933 -4.632 1.00 1.61 N ATOM 1117 CA PRO A 92 56.289 6.452 -3.289 1.00 2.06 C ATOM 1118 C PRO A 92 55.352 5.476 -2.568 1.00 2.32 C ATOM 1119 O PRO A 92 54.577 4.784 -3.231 1.00 2.43 O ATOM 1120 CB PRO A 92 55.576 7.776 -3.584 1.00 2.48 C ATOM 1121 CG PRO A 92 56.045 8.191 -4.935 1.00 2.52 C ATOM 1122 CD PRO A 92 56.358 6.904 -5.693 1.00 1.91 C ATOM 0 HA PRO A 92 57.147 6.579 -2.628 1.00 2.06 H new ATOM 0 HB2 PRO A 92 54.493 7.651 -3.566 1.00 2.48 H new ATOM 0 HB3 PRO A 92 55.822 8.529 -2.835 1.00 2.48 H new ATOM 0 HG2 PRO A 92 55.280 8.770 -5.451 1.00 2.52 H new ATOM 0 HG3 PRO A 92 56.929 8.824 -4.862 1.00 2.52 H new ATOM 0 HD2 PRO A 92 55.503 6.570 -6.282 1.00 1.91 H new ATOM 0 HD3 PRO A 92 57.188 7.041 -6.386 1.00 1.91 H new ATOM 1130 N PRO A 93 55.392 5.394 -1.254 1.00 2.69 N ATOM 1131 CA PRO A 93 54.505 4.447 -0.506 1.00 3.14 C ATOM 1132 C PRO A 93 53.034 4.643 -0.860 1.00 3.58 C ATOM 1133 O PRO A 93 52.590 5.765 -1.104 1.00 3.80 O ATOM 1134 CB PRO A 93 54.754 4.785 0.966 1.00 3.64 C ATOM 1135 CG PRO A 93 56.116 5.381 0.991 1.00 3.48 C ATOM 1136 CD PRO A 93 56.242 6.158 -0.317 1.00 3.00 C ATOM 0 HA PRO A 93 54.727 3.408 -0.750 1.00 3.14 H new ATOM 0 HB2 PRO A 93 54.008 5.485 1.343 1.00 3.64 H new ATOM 0 HB3 PRO A 93 54.700 3.894 1.592 1.00 3.64 H new ATOM 0 HG2 PRO A 93 56.242 6.038 1.852 1.00 3.48 H new ATOM 0 HG3 PRO A 93 56.882 4.609 1.065 1.00 3.48 H new ATOM 0 HD2 PRO A 93 55.896 7.186 -0.208 1.00 3.00 H new ATOM 0 HD3 PRO A 93 57.276 6.204 -0.659 1.00 3.00 H new ATOM 1144 N GLU A 94 52.284 3.546 -0.889 1.00 3.96 N ATOM 1145 CA GLU A 94 50.860 3.611 -1.205 1.00 4.59 C ATOM 1146 C GLU A 94 50.025 3.452 0.061 1.00 5.38 C ATOM 1147 O GLU A 94 50.325 2.615 0.912 1.00 5.70 O ATOM 1148 CB GLU A 94 50.496 2.506 -2.198 1.00 5.02 C ATOM 1149 CG GLU A 94 51.285 2.705 -3.498 1.00 5.18 C ATOM 1150 CD GLU A 94 50.936 4.037 -4.168 1.00 5.24 C ATOM 1151 OE1 GLU A 94 49.906 4.611 -3.845 1.00 5.22 O ATOM 1152 OE2 GLU A 94 51.713 4.467 -5.004 1.00 5.65 O ATOM 0 H GLU A 94 52.635 2.607 -0.699 1.00 3.96 H new ATOM 0 HA GLU A 94 50.648 4.584 -1.649 1.00 4.59 H new ATOM 0 HB2 GLU A 94 50.721 1.529 -1.770 1.00 5.02 H new ATOM 0 HB3 GLU A 94 49.426 2.525 -2.403 1.00 5.02 H new ATOM 0 HG2 GLU A 94 52.353 2.673 -3.285 1.00 5.18 H new ATOM 0 HG3 GLU A 94 51.072 1.885 -4.183 1.00 5.18 H new ATOM 1159 N GLU A 95 48.978 4.261 0.179 1.00 5.92 N ATOM 1160 CA GLU A 95 48.109 4.204 1.347 1.00 6.87 C ATOM 1161 C GLU A 95 46.693 4.662 0.988 1.00 7.76 C ATOM 1162 O GLU A 95 46.384 5.848 1.122 1.00 7.83 O ATOM 1163 CB GLU A 95 48.673 5.093 2.458 1.00 7.16 C ATOM 1164 CG GLU A 95 49.919 4.437 3.054 1.00 7.33 C ATOM 1165 CD GLU A 95 50.178 4.985 4.454 1.00 7.47 C ATOM 1166 OE1 GLU A 95 50.159 6.195 4.608 1.00 7.52 O ATOM 1167 OE2 GLU A 95 50.391 4.187 5.351 1.00 7.76 O ATOM 0 H GLU A 95 48.712 4.959 -0.515 1.00 5.92 H new ATOM 0 HA GLU A 95 48.064 3.172 1.695 1.00 6.87 H new ATOM 0 HB2 GLU A 95 48.922 6.077 2.060 1.00 7.16 H new ATOM 0 HB3 GLU A 95 47.922 5.244 3.234 1.00 7.16 H new ATOM 0 HG2 GLU A 95 49.786 3.356 3.097 1.00 7.33 H new ATOM 0 HG3 GLU A 95 50.781 4.627 2.415 1.00 7.33 H new ATOM 1174 N PRO A 96 45.830 3.773 0.537 1.00 8.63 N ATOM 1175 CA PRO A 96 44.430 4.163 0.181 1.00 9.67 C ATOM 1176 C PRO A 96 43.765 5.011 1.264 1.00 10.08 C ATOM 1177 O PRO A 96 42.903 5.838 0.969 1.00 10.26 O ATOM 1178 CB PRO A 96 43.703 2.827 0.023 1.00 10.57 C ATOM 1179 CG PRO A 96 44.757 1.845 -0.364 1.00 10.13 C ATOM 1180 CD PRO A 96 46.071 2.344 0.235 1.00 8.93 C ATOM 0 HA PRO A 96 44.403 4.780 -0.717 1.00 9.67 H new ATOM 0 HB2 PRO A 96 43.215 2.533 0.952 1.00 10.57 H new ATOM 0 HB3 PRO A 96 42.926 2.890 -0.739 1.00 10.57 H new ATOM 0 HG2 PRO A 96 44.515 0.851 0.011 1.00 10.13 H new ATOM 0 HG3 PRO A 96 44.832 1.767 -1.449 1.00 10.13 H new ATOM 0 HD2 PRO A 96 46.332 1.788 1.135 1.00 8.93 H new ATOM 0 HD3 PRO A 96 46.897 2.222 -0.466 1.00 8.93 H new ATOM 1188 N LEU A 97 44.165 4.803 2.517 1.00 10.45 N ATOM 1189 CA LEU A 97 43.639 5.595 3.626 1.00 11.04 C ATOM 1190 C LEU A 97 44.746 6.446 4.237 1.00 11.89 C ATOM 1191 O LEU A 97 45.814 5.937 4.580 1.00 12.08 O ATOM 1192 CB LEU A 97 43.055 4.669 4.699 1.00 11.40 C ATOM 1193 CG LEU A 97 41.970 3.776 4.090 1.00 11.56 C ATOM 1194 CD1 LEU A 97 41.467 2.793 5.149 1.00 11.71 C ATOM 1195 CD2 LEU A 97 40.800 4.638 3.609 1.00 11.77 C ATOM 0 H LEU A 97 44.848 4.096 2.789 1.00 10.45 H new ATOM 0 HA LEU A 97 42.854 6.249 3.246 1.00 11.04 H new ATOM 0 HB2 LEU A 97 43.845 4.053 5.128 1.00 11.40 H new ATOM 0 HB3 LEU A 97 42.635 5.261 5.512 1.00 11.40 H new ATOM 0 HG LEU A 97 42.389 3.228 3.246 1.00 11.56 H new ATOM 0 HD11 LEU A 97 40.695 2.157 4.717 1.00 11.71 H new ATOM 0 HD12 LEU A 97 42.296 2.175 5.494 1.00 11.71 H new ATOM 0 HD13 LEU A 97 41.052 3.347 5.991 1.00 11.71 H new ATOM 0 HD21 LEU A 97 40.031 3.998 3.176 1.00 11.77 H new ATOM 0 HD22 LEU A 97 40.383 5.188 4.452 1.00 11.77 H new ATOM 0 HD23 LEU A 97 41.153 5.342 2.855 1.00 11.77 H new ATOM 1207 N GLU A 98 44.488 7.743 4.373 1.00 12.53 N ATOM 1208 CA GLU A 98 45.474 8.646 4.957 1.00 13.52 C ATOM 1209 C GLU A 98 45.818 8.232 6.387 1.00 13.93 C ATOM 1210 O GLU A 98 46.971 8.324 6.807 1.00 14.01 O ATOM 1211 CB GLU A 98 44.933 10.077 4.955 1.00 14.19 C ATOM 1212 CG GLU A 98 46.039 11.044 5.396 1.00 14.28 C ATOM 1213 CD GLU A 98 45.530 12.486 5.502 1.00 13.85 C ATOM 1214 OE1 GLU A 98 44.354 12.726 5.272 1.00 13.51 O ATOM 1215 OE2 GLU A 98 46.339 13.344 5.817 1.00 14.00 O ATOM 0 H GLU A 98 43.615 8.189 4.090 1.00 12.53 H new ATOM 0 HA GLU A 98 46.381 8.595 4.355 1.00 13.52 H new ATOM 0 HB2 GLU A 98 44.580 10.342 3.958 1.00 14.19 H new ATOM 0 HB3 GLU A 98 44.078 10.155 5.627 1.00 14.19 H new ATOM 0 HG2 GLU A 98 46.435 10.727 6.361 1.00 14.28 H new ATOM 0 HG3 GLU A 98 46.863 11.002 4.684 1.00 14.28 H new ATOM 1222 N HIS A 99 44.813 7.777 7.129 1.00 14.35 N ATOM 1223 CA HIS A 99 45.024 7.343 8.507 1.00 14.94 C ATOM 1224 C HIS A 99 46.054 6.218 8.582 1.00 15.25 C ATOM 1225 O HIS A 99 46.850 6.157 9.520 1.00 15.32 O ATOM 1226 CB HIS A 99 43.701 6.866 9.108 1.00 15.27 C ATOM 1227 CG HIS A 99 42.661 7.949 9.200 1.00 15.50 C ATOM 1228 ND1 HIS A 99 41.738 8.174 8.191 1.00 15.48 N ATOM 1229 CD2 HIS A 99 42.386 8.877 10.174 1.00 15.95 C ATOM 1230 CE1 HIS A 99 40.960 9.201 8.575 1.00 15.90 C ATOM 1231 NE2 HIS A 99 41.311 9.667 9.776 1.00 16.20 N ATOM 0 H HIS A 99 43.850 7.699 6.802 1.00 14.35 H new ATOM 0 HA HIS A 99 45.403 8.193 9.075 1.00 14.94 H new ATOM 0 HB2 HIS A 99 43.310 6.048 8.503 1.00 15.27 H new ATOM 0 HB3 HIS A 99 43.887 6.465 10.105 1.00 15.27 H new ATOM 0 HD2 HIS A 99 42.922 8.979 11.106 1.00 15.95 H new ATOM 0 HE1 HIS A 99 40.149 9.601 7.984 1.00 15.90 H new ATOM 0 HE2 HIS A 99 40.883 10.436 10.291 1.00 16.20 H new ATOM 1239 N HIS A 100 46.037 5.329 7.593 1.00 15.60 N ATOM 1240 CA HIS A 100 46.953 4.194 7.581 1.00 16.10 C ATOM 1241 C HIS A 100 48.402 4.666 7.619 1.00 16.21 C ATOM 1242 O HIS A 100 48.744 5.700 7.044 1.00 16.29 O ATOM 1243 CB HIS A 100 46.723 3.350 6.326 1.00 16.57 C ATOM 1244 CG HIS A 100 47.591 2.122 6.265 1.00 16.76 C ATOM 1245 ND1 HIS A 100 47.456 1.076 7.164 1.00 17.19 N ATOM 1246 CD2 HIS A 100 48.611 1.760 5.418 1.00 16.75 C ATOM 1247 CE1 HIS A 100 48.370 0.143 6.842 1.00 17.42 C ATOM 1248 NE2 HIS A 100 49.101 0.509 5.785 1.00 17.17 N ATOM 0 H HIS A 100 45.403 5.372 6.795 1.00 15.60 H new ATOM 0 HA HIS A 100 46.759 3.590 8.468 1.00 16.10 H new ATOM 0 HB2 HIS A 100 45.676 3.048 6.287 1.00 16.57 H new ATOM 0 HB3 HIS A 100 46.911 3.963 5.445 1.00 16.57 H new ATOM 0 HD2 HIS A 100 48.977 2.355 4.594 1.00 16.75 H new ATOM 0 HE1 HIS A 100 48.497 -0.789 7.373 1.00 17.42 H new ATOM 0 HE2 HIS A 100 49.856 -0.015 5.342 1.00 17.17 H new ATOM 1256 N HIS A 101 49.252 3.899 8.298 1.00 16.36 N ATOM 1257 CA HIS A 101 50.672 4.229 8.392 1.00 16.65 C ATOM 1258 C HIS A 101 51.514 3.046 7.919 1.00 16.91 C ATOM 1259 O HIS A 101 51.402 1.940 8.448 1.00 17.14 O ATOM 1260 CB HIS A 101 51.025 4.580 9.838 1.00 16.80 C ATOM 1261 CG HIS A 101 52.318 5.335 9.974 1.00 17.13 C ATOM 1262 ND1 HIS A 101 53.477 5.056 10.655 1.00 17.44 N flip ATOM 1263 CD2 HIS A 101 52.523 6.566 9.368 1.00 17.35 C flip ATOM 1264 CE1 HIS A 101 54.388 6.093 10.473 1.00 17.82 C flip ATOM 1265 NE2 HIS A 101 53.762 6.975 9.690 1.00 17.79 N flip ATOM 0 H HIS A 101 48.983 3.047 8.790 1.00 16.36 H new ATOM 0 HA HIS A 101 50.884 5.088 7.755 1.00 16.65 H new ATOM 0 HB2 HIS A 101 50.219 5.176 10.266 1.00 16.80 H new ATOM 0 HB3 HIS A 101 51.087 3.662 10.422 1.00 16.80 H new ATOM 0 HD2 HIS A 101 51.816 7.099 8.750 1.00 17.35 H new ATOM 0 HE1 HIS A 101 55.386 6.168 10.878 1.00 17.82 H new ATOM 0 HE2 HIS A 101 54.174 7.853 9.374 1.00 17.79 H new ATOM 1273 N HIS A 102 52.358 3.290 6.921 1.00 17.03 N ATOM 1274 CA HIS A 102 53.136 2.220 6.304 1.00 17.46 C ATOM 1275 C HIS A 102 54.019 1.503 7.322 1.00 17.73 C ATOM 1276 O HIS A 102 54.157 0.280 7.274 1.00 18.10 O ATOM 1277 CB HIS A 102 54.011 2.792 5.188 1.00 17.62 C ATOM 1278 CG HIS A 102 54.776 1.741 4.432 1.00 17.77 C ATOM 1279 ND1 HIS A 102 54.146 0.792 3.643 1.00 17.75 N ATOM 1280 CD2 HIS A 102 56.121 1.474 4.337 1.00 18.09 C ATOM 1281 CE1 HIS A 102 55.100 0.006 3.112 1.00 18.05 C ATOM 1282 NE2 HIS A 102 56.322 0.378 3.502 1.00 18.27 N ATOM 0 H HIS A 102 52.521 4.215 6.523 1.00 17.03 H new ATOM 0 HA HIS A 102 52.433 1.495 5.895 1.00 17.46 H new ATOM 0 HB2 HIS A 102 53.382 3.345 4.491 1.00 17.62 H new ATOM 0 HB3 HIS A 102 54.715 3.505 5.617 1.00 17.62 H new ATOM 0 HD2 HIS A 102 56.903 2.029 4.834 1.00 18.09 H new ATOM 0 HE1 HIS A 102 54.902 -0.825 2.451 1.00 18.05 H new ATOM 0 HE2 HIS A 102 57.212 -0.049 3.244 1.00 18.27 H new ATOM 1290 N HIS A 103 54.614 2.259 8.240 1.00 17.69 N ATOM 1291 CA HIS A 103 55.522 1.671 9.222 1.00 18.12 C ATOM 1292 C HIS A 103 54.837 0.564 10.025 1.00 18.52 C ATOM 1293 O HIS A 103 55.479 -0.408 10.421 1.00 18.82 O ATOM 1294 CB HIS A 103 56.034 2.748 10.179 1.00 18.07 C ATOM 1295 CG HIS A 103 57.130 2.265 11.090 1.00 18.13 C ATOM 1296 ND1 HIS A 103 57.180 2.082 12.450 1.00 18.35 N flip ATOM 1297 CD2 HIS A 103 58.380 1.901 10.613 1.00 18.15 C flip ATOM 1298 CE1 HIS A 103 58.440 1.613 12.813 1.00 18.49 C flip ATOM 1299 NE2 HIS A 103 59.122 1.521 11.669 1.00 18.38 N flip ATOM 0 H HIS A 103 54.487 3.267 8.325 1.00 17.69 H new ATOM 0 HA HIS A 103 56.359 1.235 8.677 1.00 18.12 H new ATOM 0 HB2 HIS A 103 56.401 3.595 9.599 1.00 18.07 H new ATOM 0 HB3 HIS A 103 55.203 3.112 10.783 1.00 18.07 H new ATOM 0 HD2 HIS A 103 58.700 1.919 9.582 1.00 18.15 H new ATOM 0 HE1 HIS A 103 58.790 1.375 13.807 1.00 18.49 H new ATOM 0 HE2 HIS A 103 60.088 1.201 11.603 1.00 18.38 H new ATOM 1307 N HIS A 104 53.535 0.711 10.266 1.00 18.68 N ATOM 1308 CA HIS A 104 52.781 -0.287 11.021 1.00 19.22 C ATOM 1309 C HIS A 104 51.795 -1.012 10.111 1.00 19.40 C ATOM 1310 O HIS A 104 50.871 -1.614 10.632 1.00 19.63 O ATOM 1311 CB HIS A 104 52.019 0.389 12.162 1.00 19.83 C ATOM 1312 CG HIS A 104 52.916 1.005 13.202 1.00 20.24 C ATOM 1313 ND1 HIS A 104 53.317 2.329 13.140 1.00 20.20 N ATOM 1314 CD2 HIS A 104 53.501 0.487 14.332 1.00 20.83 C ATOM 1315 CE1 HIS A 104 54.108 2.564 14.202 1.00 20.75 C ATOM 1316 NE2 HIS A 104 54.254 1.476 14.962 1.00 21.15 N ATOM 1317 OXT HIS A 104 51.978 -0.953 8.906 1.00 19.42 O ATOM 0 H HIS A 104 52.983 1.508 9.951 1.00 18.68 H new ATOM 0 HA HIS A 104 53.483 -1.013 11.431 1.00 19.22 H new ATOM 0 HB2 HIS A 104 51.372 1.162 11.748 1.00 19.83 H new ATOM 0 HB3 HIS A 104 51.372 -0.346 12.641 1.00 19.83 H new ATOM 0 HD2 HIS A 104 53.394 -0.530 14.679 1.00 20.83 H new ATOM 0 HE1 HIS A 104 54.569 3.517 14.414 1.00 20.75 H new ATOM 0 HE2 HIS A 104 54.799 1.388 15.819 1.00 21.15 H new TER 1325 HIS A 104