USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=20 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 57 ASN :FLIP amide:sc= -0.229 F(o=-1.5,f=-0.23) USER MOD Set 1.2: A 67 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 35 SER OG : rot 180:sc= -0.205 USER MOD Set 2.2: A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.162 K(o=-0.16,f=-2.2!) USER MOD Single : A 31 LYS NZ :NH3+ 166:sc= -0.557 (180deg=-0.891) USER MOD Single : A 34 TYR OH : rot 161:sc= 0.239 USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 42 ASN :FLIP amide:sc= -0.13 F(o=-0.98,f=-0.13) USER MOD Single : A 43 ASN : amide:sc=-0.00506 K(o=-0.0051,f=-1.3) USER MOD Single : A 45 GLN : amide:sc= 0.00318 X(o=0.0032,f=-0.24) USER MOD Single : A 52 ASN : amide:sc= -1.18 K(o=-1.2,f=-6.7!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 155:sc= -0.194 (180deg=-1.29) USER MOD Single : A 61 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0685) USER MOD Single : A 63 SER OG : rot -49:sc= 0.342 USER MOD Single : A 64 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 66 TYR OH : rot 120:sc= -2.38! USER MOD Single : A 68 THR OG1 : rot 58:sc= 0.291 USER MOD Single : A 69 TYR OH : rot -146:sc= 0.126 USER MOD Single : A 73 GLN : amide:sc= -0.726 X(o=-0.73,f=-0.25) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN :FLIP amide:sc= -0.109 F(o=-0.83,f=-0.11) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 87 LYS NZ :NH3+ -118:sc= -0.165 (180deg=-0.73) USER MOD Single : A 99 HIS : no HD1:sc= -0.339 K(o=-0.34,f=-1.3) USER MOD Single : A 100 HIS : no HE2:sc= -0.762 X(o=-0.76,f=-0.95) USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 102 HIS : no HD1:sc=-0.00655 X(o=-0.0065,f=-0.22) USER MOD Single : A 103 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 104 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 23 57.348 -11.513 2.571 1.00 10.94 N ATOM 2 CA MET A 23 58.668 -10.882 2.285 1.00 10.35 C ATOM 3 C MET A 23 59.429 -10.687 3.592 1.00 9.43 C ATOM 4 O MET A 23 60.628 -10.954 3.669 1.00 9.09 O ATOM 5 CB MET A 23 58.446 -9.531 1.603 1.00 10.57 C ATOM 6 CG MET A 23 57.801 -9.750 0.233 1.00 11.57 C ATOM 7 SD MET A 23 57.645 -8.163 -0.622 1.00 12.15 S ATOM 8 CE MET A 23 56.756 -8.775 -2.075 1.00 12.34 C ATOM 0 HA MET A 23 59.250 -11.525 1.625 1.00 10.35 H new ATOM 0 HB2 MET A 23 57.807 -8.901 2.221 1.00 10.57 H new ATOM 0 HB3 MET A 23 59.396 -9.008 1.490 1.00 10.57 H new ATOM 0 HG2 MET A 23 58.406 -10.436 -0.360 1.00 11.57 H new ATOM 0 HG3 MET A 23 56.820 -10.210 0.351 1.00 11.57 H new ATOM 0 HE1 MET A 23 56.552 -7.946 -2.752 1.00 12.34 H new ATOM 0 HE2 MET A 23 57.365 -9.520 -2.587 1.00 12.34 H new ATOM 0 HE3 MET A 23 55.815 -9.228 -1.762 1.00 12.34 H new ATOM 20 N ALA A 24 58.724 -10.221 4.618 1.00 9.26 N ATOM 21 CA ALA A 24 59.345 -10.000 5.921 1.00 8.60 C ATOM 22 C ALA A 24 59.892 -11.305 6.496 1.00 7.85 C ATOM 23 O ALA A 24 60.950 -11.317 7.126 1.00 7.84 O ATOM 24 CB ALA A 24 58.321 -9.405 6.889 1.00 9.02 C ATOM 0 H ALA A 24 57.731 -9.991 4.575 1.00 9.26 H new ATOM 0 HA ALA A 24 60.175 -9.305 5.789 1.00 8.60 H new ATOM 0 HB1 ALA A 24 58.790 -9.242 7.860 1.00 9.02 H new ATOM 0 HB2 ALA A 24 57.959 -8.455 6.497 1.00 9.02 H new ATOM 0 HB3 ALA A 24 57.484 -10.094 7.001 1.00 9.02 H new ATOM 30 N SER A 25 59.170 -12.400 6.279 1.00 7.48 N ATOM 31 CA SER A 25 59.602 -13.703 6.776 1.00 7.06 C ATOM 32 C SER A 25 60.957 -14.108 6.193 1.00 6.13 C ATOM 33 O SER A 25 61.735 -14.800 6.850 1.00 5.81 O ATOM 34 CB SER A 25 58.561 -14.764 6.422 1.00 7.43 C ATOM 35 OG SER A 25 58.548 -14.953 5.013 1.00 7.66 O ATOM 0 H SER A 25 58.289 -12.412 5.766 1.00 7.48 H new ATOM 0 HA SER A 25 59.706 -13.627 7.858 1.00 7.06 H new ATOM 0 HB2 SER A 25 58.795 -15.702 6.925 1.00 7.43 H new ATOM 0 HB3 SER A 25 57.575 -14.454 6.769 1.00 7.43 H new ATOM 0 HG SER A 25 57.883 -15.634 4.780 1.00 7.66 H new ATOM 41 N GLU A 26 61.240 -13.680 4.964 1.00 6.02 N ATOM 42 CA GLU A 26 62.493 -14.044 4.311 1.00 5.52 C ATOM 43 C GLU A 26 63.681 -13.399 5.017 1.00 4.55 C ATOM 44 O GLU A 26 63.762 -12.175 5.127 1.00 4.71 O ATOM 45 CB GLU A 26 62.466 -13.601 2.847 1.00 6.21 C ATOM 46 CG GLU A 26 61.337 -14.331 2.111 1.00 7.11 C ATOM 47 CD GLU A 26 61.554 -15.846 2.113 1.00 7.09 C ATOM 48 OE1 GLU A 26 62.668 -16.286 2.354 1.00 6.52 O ATOM 49 OE2 GLU A 26 60.591 -16.554 1.868 1.00 7.84 O ATOM 0 H GLU A 26 60.625 -13.087 4.406 1.00 6.02 H new ATOM 0 HA GLU A 26 62.603 -15.127 4.363 1.00 5.52 H new ATOM 0 HB2 GLU A 26 62.317 -12.523 2.785 1.00 6.21 H new ATOM 0 HB3 GLU A 26 63.423 -13.818 2.373 1.00 6.21 H new ATOM 0 HG2 GLU A 26 60.383 -14.098 2.584 1.00 7.11 H new ATOM 0 HG3 GLU A 26 61.279 -13.972 1.083 1.00 7.11 H new ATOM 56 N SER A 27 64.600 -14.233 5.491 1.00 3.94 N ATOM 57 CA SER A 27 65.814 -13.738 6.139 1.00 3.27 C ATOM 58 C SER A 27 66.629 -12.834 5.209 1.00 2.27 C ATOM 59 O SER A 27 67.341 -11.945 5.675 1.00 2.60 O ATOM 60 CB SER A 27 66.679 -14.917 6.583 1.00 3.88 C ATOM 61 OG SER A 27 67.779 -14.430 7.339 1.00 4.25 O ATOM 0 H SER A 27 64.531 -15.249 5.440 1.00 3.94 H new ATOM 0 HA SER A 27 65.509 -13.147 7.003 1.00 3.27 H new ATOM 0 HB2 SER A 27 66.089 -15.611 7.182 1.00 3.88 H new ATOM 0 HB3 SER A 27 67.036 -15.470 5.714 1.00 3.88 H new ATOM 0 HG SER A 27 68.336 -15.183 7.628 1.00 4.25 H new ATOM 67 N ASN A 28 66.527 -13.058 3.900 1.00 1.86 N ATOM 68 CA ASN A 28 67.282 -12.267 2.934 1.00 1.90 C ATOM 69 C ASN A 28 66.986 -10.781 3.107 1.00 1.49 C ATOM 70 O ASN A 28 65.860 -10.393 3.415 1.00 2.29 O ATOM 71 CB ASN A 28 66.921 -12.698 1.510 1.00 2.82 C ATOM 72 CG ASN A 28 67.935 -12.137 0.518 1.00 3.50 C ATOM 73 OD1 ASN A 28 69.077 -11.859 0.884 1.00 3.69 O ATOM 74 ND2 ASN A 28 67.583 -11.953 -0.725 1.00 4.39 N ATOM 0 H ASN A 28 65.932 -13.777 3.487 1.00 1.86 H new ATOM 0 HA ASN A 28 68.345 -12.436 3.107 1.00 1.90 H new ATOM 0 HB2 ASN A 28 66.901 -13.786 1.445 1.00 2.82 H new ATOM 0 HB3 ASN A 28 65.921 -12.345 1.258 1.00 2.82 H new ATOM 0 HD21 ASN A 28 68.255 -11.578 -1.395 1.00 4.39 H new ATOM 0 HD22 ASN A 28 66.636 -12.184 -1.026 1.00 4.39 H new ATOM 81 N GLY A 29 68.008 -9.952 2.907 1.00 0.74 N ATOM 82 CA GLY A 29 67.862 -8.508 3.069 1.00 0.29 C ATOM 83 C GLY A 29 68.698 -8.010 4.243 1.00 0.24 C ATOM 84 O GLY A 29 68.161 -7.602 5.273 1.00 0.28 O ATOM 0 H GLY A 29 68.943 -10.254 2.633 1.00 0.74 H new ATOM 0 HA2 GLY A 29 68.172 -8.001 2.155 1.00 0.29 H new ATOM 0 HA3 GLY A 29 66.813 -8.259 3.232 1.00 0.29 H new ATOM 88 N ARG A 30 70.016 -8.047 4.078 1.00 0.19 N ATOM 89 CA ARG A 30 70.920 -7.612 5.139 1.00 0.19 C ATOM 90 C ARG A 30 70.638 -6.160 5.514 1.00 0.15 C ATOM 91 O ARG A 30 70.225 -5.372 4.666 1.00 0.13 O ATOM 92 CB ARG A 30 72.373 -7.756 4.683 1.00 0.21 C ATOM 93 CG ARG A 30 72.679 -9.230 4.412 1.00 0.59 C ATOM 94 CD ARG A 30 74.156 -9.388 4.048 1.00 0.95 C ATOM 95 NE ARG A 30 74.420 -10.755 3.589 1.00 1.70 N ATOM 96 CZ ARG A 30 75.458 -11.085 2.805 1.00 2.16 C ATOM 97 NH1 ARG A 30 76.326 -10.198 2.382 1.00 2.37 N ATOM 98 NH2 ARG A 30 75.608 -12.332 2.451 1.00 2.74 N ATOM 0 H ARG A 30 70.480 -8.370 3.229 1.00 0.19 H new ATOM 0 HA ARG A 30 70.756 -8.241 6.014 1.00 0.19 H new ATOM 0 HB2 ARG A 30 72.543 -7.167 3.782 1.00 0.21 H new ATOM 0 HB3 ARG A 30 73.046 -7.369 5.448 1.00 0.21 H new ATOM 0 HG2 ARG A 30 72.445 -9.828 5.292 1.00 0.59 H new ATOM 0 HG3 ARG A 30 72.052 -9.599 3.600 1.00 0.59 H new ATOM 0 HD2 ARG A 30 74.424 -8.676 3.267 1.00 0.95 H new ATOM 0 HD3 ARG A 30 74.778 -9.161 4.914 1.00 0.95 H new ATOM 0 HE ARG A 30 73.781 -11.494 3.881 1.00 1.70 H new ATOM 0 HH11 ARG A 30 76.225 -9.218 2.648 1.00 2.37 H new ATOM 0 HH12 ARG A 30 77.102 -10.488 1.787 1.00 2.37 H new ATOM 0 HH21 ARG A 30 74.943 -13.036 2.770 1.00 2.74 H new ATOM 0 HH22 ARG A 30 76.391 -12.602 1.855 1.00 2.74 H new ATOM 112 N LYS A 31 70.812 -5.817 6.788 1.00 0.15 N ATOM 113 CA LYS A 31 70.637 -4.432 7.218 1.00 0.13 C ATOM 114 C LYS A 31 71.857 -3.603 6.832 1.00 0.11 C ATOM 115 O LYS A 31 72.995 -4.048 6.980 1.00 0.13 O ATOM 116 CB LYS A 31 70.422 -4.359 8.728 1.00 0.16 C ATOM 117 CG LYS A 31 70.085 -2.925 9.146 1.00 0.92 C ATOM 118 CD LYS A 31 68.645 -2.593 8.750 1.00 0.91 C ATOM 119 CE LYS A 31 68.285 -1.199 9.268 1.00 1.87 C ATOM 120 NZ LYS A 31 69.077 -0.176 8.530 1.00 2.29 N ATOM 0 H LYS A 31 71.070 -6.467 7.530 1.00 0.15 H new ATOM 0 HA LYS A 31 69.756 -4.029 6.719 1.00 0.13 H new ATOM 0 HB2 LYS A 31 69.614 -5.030 9.020 1.00 0.16 H new ATOM 0 HB3 LYS A 31 71.320 -4.695 9.247 1.00 0.16 H new ATOM 0 HG2 LYS A 31 70.211 -2.812 10.223 1.00 0.92 H new ATOM 0 HG3 LYS A 31 70.773 -2.227 8.669 1.00 0.92 H new ATOM 0 HD2 LYS A 31 68.536 -2.630 7.666 1.00 0.91 H new ATOM 0 HD3 LYS A 31 67.962 -3.335 9.164 1.00 0.91 H new ATOM 0 HE2 LYS A 31 67.219 -1.014 9.136 1.00 1.87 H new ATOM 0 HE3 LYS A 31 68.490 -1.132 10.336 1.00 1.87 H new ATOM 0 HZ1 LYS A 31 68.674 0.767 8.703 1.00 2.29 H new ATOM 0 HZ2 LYS A 31 70.063 -0.197 8.859 1.00 2.29 H new ATOM 0 HZ3 LYS A 31 69.048 -0.383 7.511 1.00 2.29 H new ATOM 134 N VAL A 32 71.609 -2.397 6.335 1.00 0.09 N ATOM 135 CA VAL A 32 72.696 -1.500 5.944 1.00 0.09 C ATOM 136 C VAL A 32 72.411 -0.061 6.374 1.00 0.08 C ATOM 137 O VAL A 32 71.318 0.464 6.159 1.00 0.08 O ATOM 138 CB VAL A 32 72.905 -1.570 4.425 1.00 0.10 C ATOM 139 CG1 VAL A 32 74.077 -0.679 4.000 1.00 0.12 C ATOM 140 CG2 VAL A 32 73.218 -3.014 4.024 1.00 0.11 C ATOM 0 H VAL A 32 70.673 -2.017 6.193 1.00 0.09 H new ATOM 0 HA VAL A 32 73.606 -1.824 6.450 1.00 0.09 H new ATOM 0 HB VAL A 32 71.995 -1.225 3.933 1.00 0.10 H new ATOM 0 HG11 VAL A 32 74.209 -0.742 2.920 1.00 0.12 H new ATOM 0 HG12 VAL A 32 73.869 0.354 4.280 1.00 0.12 H new ATOM 0 HG13 VAL A 32 74.987 -1.014 4.497 1.00 0.12 H new ATOM 0 HG21 VAL A 32 73.367 -3.068 2.946 1.00 0.11 H new ATOM 0 HG22 VAL A 32 74.124 -3.345 4.533 1.00 0.11 H new ATOM 0 HG23 VAL A 32 72.386 -3.659 4.308 1.00 0.11 H new ATOM 150 N ASP A 33 73.415 0.562 6.983 1.00 0.09 N ATOM 151 CA ASP A 33 73.344 1.972 7.354 1.00 0.08 C ATOM 152 C ASP A 33 73.529 2.860 6.123 1.00 0.08 C ATOM 153 O ASP A 33 74.241 2.496 5.187 1.00 0.10 O ATOM 154 CB ASP A 33 74.433 2.280 8.389 1.00 0.11 C ATOM 155 CG ASP A 33 74.189 1.485 9.670 1.00 0.74 C ATOM 156 OD1 ASP A 33 73.036 1.232 9.985 1.00 1.59 O ATOM 157 OD2 ASP A 33 75.161 1.140 10.321 1.00 0.47 O ATOM 0 H ASP A 33 74.294 0.109 7.232 1.00 0.09 H new ATOM 0 HA ASP A 33 72.363 2.178 7.783 1.00 0.08 H new ATOM 0 HB2 ASP A 33 75.413 2.032 7.980 1.00 0.11 H new ATOM 0 HB3 ASP A 33 74.441 3.347 8.611 1.00 0.11 H new ATOM 162 N TYR A 34 72.891 4.029 6.121 1.00 0.08 N ATOM 163 CA TYR A 34 73.000 4.950 4.990 1.00 0.09 C ATOM 164 C TYR A 34 74.463 5.251 4.661 1.00 0.11 C ATOM 165 O TYR A 34 74.832 5.348 3.490 1.00 0.13 O ATOM 166 CB TYR A 34 72.252 6.249 5.318 1.00 0.10 C ATOM 167 CG TYR A 34 72.377 7.331 4.264 1.00 0.15 C ATOM 168 CD1 TYR A 34 72.336 6.999 2.905 1.00 0.19 C ATOM 169 CD2 TYR A 34 72.546 8.667 4.653 1.00 0.18 C ATOM 170 CE1 TYR A 34 72.465 8.002 1.936 1.00 0.24 C ATOM 171 CE2 TYR A 34 72.671 9.669 3.682 1.00 0.24 C ATOM 172 CZ TYR A 34 72.630 9.336 2.322 1.00 0.27 C ATOM 173 OH TYR A 34 72.761 10.315 1.357 1.00 0.32 O ATOM 0 H TYR A 34 72.298 4.359 6.882 1.00 0.08 H new ATOM 0 HA TYR A 34 72.552 4.481 4.114 1.00 0.09 H new ATOM 0 HB2 TYR A 34 71.196 6.019 5.461 1.00 0.10 H new ATOM 0 HB3 TYR A 34 72.624 6.638 6.266 1.00 0.10 H new ATOM 0 HD1 TYR A 34 72.205 5.970 2.604 1.00 0.19 H new ATOM 0 HD2 TYR A 34 72.580 8.924 5.701 1.00 0.18 H new ATOM 0 HE1 TYR A 34 72.437 7.744 0.888 1.00 0.24 H new ATOM 0 HE2 TYR A 34 72.799 10.699 3.982 1.00 0.24 H new ATOM 0 HH TYR A 34 72.571 11.191 1.752 1.00 0.32 H new ATOM 183 N SER A 35 75.302 5.368 5.688 1.00 0.13 N ATOM 184 CA SER A 35 76.715 5.664 5.468 1.00 0.16 C ATOM 185 C SER A 35 77.365 4.573 4.621 1.00 0.16 C ATOM 186 O SER A 35 78.107 4.855 3.679 1.00 0.17 O ATOM 187 CB SER A 35 77.439 5.769 6.810 1.00 0.18 C ATOM 188 OG SER A 35 77.474 4.485 7.422 1.00 1.24 O ATOM 0 H SER A 35 75.033 5.264 6.666 1.00 0.13 H new ATOM 0 HA SER A 35 76.791 6.613 4.938 1.00 0.16 H new ATOM 0 HB2 SER A 35 78.452 6.143 6.662 1.00 0.18 H new ATOM 0 HB3 SER A 35 76.928 6.481 7.458 1.00 0.18 H new ATOM 0 HG SER A 35 77.939 4.545 8.283 1.00 1.24 H new ATOM 194 N THR A 36 77.040 3.322 4.931 1.00 0.15 N ATOM 195 CA THR A 36 77.628 2.197 4.211 1.00 0.16 C ATOM 196 C THR A 36 77.196 2.216 2.747 1.00 0.15 C ATOM 197 O THR A 36 78.003 1.968 1.852 1.00 0.17 O ATOM 198 CB THR A 36 77.216 0.876 4.862 1.00 0.16 C ATOM 199 OG1 THR A 36 77.543 0.909 6.243 1.00 0.18 O ATOM 200 CG2 THR A 36 77.954 -0.282 4.189 1.00 0.18 C ATOM 0 H THR A 36 76.382 3.063 5.666 1.00 0.15 H new ATOM 0 HA THR A 36 78.713 2.288 4.256 1.00 0.16 H new ATOM 0 HB THR A 36 76.142 0.734 4.745 1.00 0.16 H new ATOM 0 HG1 THR A 36 77.278 0.064 6.662 1.00 0.18 H new ATOM 0 HG21 THR A 36 77.658 -1.222 4.655 1.00 0.18 H new ATOM 0 HG22 THR A 36 77.701 -0.307 3.129 1.00 0.18 H new ATOM 0 HG23 THR A 36 79.029 -0.143 4.303 1.00 0.18 H new ATOM 208 N PHE A 37 75.927 2.536 2.506 1.00 0.13 N ATOM 209 CA PHE A 37 75.420 2.592 1.140 1.00 0.14 C ATOM 210 C PHE A 37 76.209 3.598 0.305 1.00 0.16 C ATOM 211 O PHE A 37 76.574 3.304 -0.832 1.00 0.17 O ATOM 212 CB PHE A 37 73.933 2.973 1.154 1.00 0.14 C ATOM 213 CG PHE A 37 73.327 3.153 -0.221 1.00 0.17 C ATOM 214 CD1 PHE A 37 72.759 2.066 -0.896 1.00 0.33 C ATOM 215 CD2 PHE A 37 73.352 4.416 -0.827 1.00 0.17 C ATOM 216 CE1 PHE A 37 72.215 2.244 -2.174 1.00 0.37 C ATOM 217 CE2 PHE A 37 72.808 4.593 -2.104 1.00 0.18 C ATOM 218 CZ PHE A 37 72.239 3.506 -2.777 1.00 0.25 C ATOM 0 H PHE A 37 75.241 2.757 3.228 1.00 0.13 H new ATOM 0 HA PHE A 37 75.538 1.607 0.688 1.00 0.14 H new ATOM 0 HB2 PHE A 37 73.377 2.201 1.686 1.00 0.14 H new ATOM 0 HB3 PHE A 37 73.812 3.899 1.717 1.00 0.14 H new ATOM 0 HD1 PHE A 37 72.740 1.091 -0.432 1.00 0.33 H new ATOM 0 HD2 PHE A 37 73.792 5.254 -0.308 1.00 0.17 H new ATOM 0 HE1 PHE A 37 71.776 1.406 -2.695 1.00 0.37 H new ATOM 0 HE2 PHE A 37 72.827 5.567 -2.570 1.00 0.18 H new ATOM 0 HZ PHE A 37 71.818 3.641 -3.762 1.00 0.25 H new ATOM 228 N LEU A 38 76.493 4.766 0.873 1.00 0.17 N ATOM 229 CA LEU A 38 77.202 5.801 0.128 1.00 0.21 C ATOM 230 C LEU A 38 78.575 5.308 -0.309 1.00 0.23 C ATOM 231 O LEU A 38 78.995 5.545 -1.443 1.00 0.25 O ATOM 232 CB LEU A 38 77.351 7.058 0.987 1.00 0.22 C ATOM 233 CG LEU A 38 75.966 7.601 1.348 1.00 0.21 C ATOM 234 CD1 LEU A 38 76.113 8.749 2.348 1.00 0.23 C ATOM 235 CD2 LEU A 38 75.272 8.118 0.084 1.00 0.23 C ATOM 0 H LEU A 38 76.248 5.017 1.831 1.00 0.17 H new ATOM 0 HA LEU A 38 76.620 6.041 -0.762 1.00 0.21 H new ATOM 0 HB2 LEU A 38 77.910 6.827 1.894 1.00 0.22 H new ATOM 0 HB3 LEU A 38 77.920 7.815 0.447 1.00 0.22 H new ATOM 0 HG LEU A 38 75.370 6.803 1.791 1.00 0.21 H new ATOM 0 HD11 LEU A 38 75.127 9.136 2.605 1.00 0.23 H new ATOM 0 HD12 LEU A 38 76.607 8.385 3.249 1.00 0.23 H new ATOM 0 HD13 LEU A 38 76.710 9.545 1.903 1.00 0.23 H new ATOM 0 HD21 LEU A 38 74.286 8.504 0.342 1.00 0.23 H new ATOM 0 HD22 LEU A 38 75.869 8.915 -0.359 1.00 0.23 H new ATOM 0 HD23 LEU A 38 75.166 7.303 -0.632 1.00 0.23 H new ATOM 247 N GLN A 39 79.260 4.595 0.580 1.00 0.23 N ATOM 248 CA GLN A 39 80.579 4.064 0.248 1.00 0.26 C ATOM 249 C GLN A 39 80.490 3.092 -0.925 1.00 0.24 C ATOM 250 O GLN A 39 81.290 3.152 -1.859 1.00 0.28 O ATOM 251 CB GLN A 39 81.185 3.354 1.459 1.00 0.27 C ATOM 252 CG GLN A 39 82.628 2.948 1.145 1.00 0.31 C ATOM 253 CD GLN A 39 83.283 2.275 2.351 1.00 0.67 C ATOM 254 OE1 GLN A 39 82.719 2.247 3.448 1.00 1.05 O ATOM 255 NE2 GLN A 39 84.456 1.722 2.213 1.00 1.10 N ATOM 0 H GLN A 39 78.932 4.374 1.520 1.00 0.23 H new ATOM 0 HA GLN A 39 81.219 4.899 -0.036 1.00 0.26 H new ATOM 0 HB2 GLN A 39 81.162 4.011 2.328 1.00 0.27 H new ATOM 0 HB3 GLN A 39 80.595 2.473 1.710 1.00 0.27 H new ATOM 0 HG2 GLN A 39 82.641 2.268 0.293 1.00 0.31 H new ATOM 0 HG3 GLN A 39 83.203 3.829 0.859 1.00 0.31 H new ATOM 0 HE21 GLN A 39 84.926 1.743 1.308 1.00 1.10 H new ATOM 0 HE22 GLN A 39 84.903 1.269 3.010 1.00 1.10 H new ATOM 264 N GLU A 40 79.486 2.223 -0.896 1.00 0.21 N ATOM 265 CA GLU A 40 79.325 1.229 -1.952 1.00 0.21 C ATOM 266 C GLU A 40 79.074 1.898 -3.301 1.00 0.21 C ATOM 267 O GLU A 40 79.551 1.426 -4.333 1.00 0.23 O ATOM 268 CB GLU A 40 78.165 0.290 -1.616 1.00 0.18 C ATOM 269 CG GLU A 40 78.501 -0.489 -0.339 1.00 0.97 C ATOM 270 CD GLU A 40 77.422 -1.522 0.000 1.00 1.58 C ATOM 271 OE1 GLU A 40 76.373 -1.517 -0.628 1.00 1.63 O ATOM 272 OE2 GLU A 40 77.664 -2.314 0.895 1.00 2.35 O ATOM 0 H GLU A 40 78.779 2.185 -0.162 1.00 0.21 H new ATOM 0 HA GLU A 40 80.249 0.654 -2.020 1.00 0.21 H new ATOM 0 HB2 GLU A 40 77.247 0.862 -1.477 1.00 0.18 H new ATOM 0 HB3 GLU A 40 77.989 -0.400 -2.441 1.00 0.18 H new ATOM 0 HG2 GLU A 40 79.460 -0.993 -0.463 1.00 0.97 H new ATOM 0 HG3 GLU A 40 78.611 0.207 0.493 1.00 0.97 H new ATOM 279 N VAL A 41 78.298 2.977 -3.292 1.00 0.20 N ATOM 280 CA VAL A 41 78.039 3.729 -4.514 1.00 0.24 C ATOM 281 C VAL A 41 79.358 4.237 -5.098 1.00 0.28 C ATOM 282 O VAL A 41 79.620 4.078 -6.289 1.00 0.31 O ATOM 283 CB VAL A 41 77.096 4.903 -4.210 1.00 0.25 C ATOM 284 CG1 VAL A 41 76.824 5.715 -5.481 1.00 0.30 C ATOM 285 CG2 VAL A 41 75.763 4.370 -3.676 1.00 0.22 C ATOM 0 H VAL A 41 77.841 3.348 -2.459 1.00 0.20 H new ATOM 0 HA VAL A 41 77.561 3.079 -5.247 1.00 0.24 H new ATOM 0 HB VAL A 41 77.572 5.542 -3.466 1.00 0.25 H new ATOM 0 HG11 VAL A 41 76.154 6.543 -5.248 1.00 0.30 H new ATOM 0 HG12 VAL A 41 77.764 6.107 -5.870 1.00 0.30 H new ATOM 0 HG13 VAL A 41 76.360 5.073 -6.230 1.00 0.30 H new ATOM 0 HG21 VAL A 41 75.097 5.206 -3.461 1.00 0.22 H new ATOM 0 HG22 VAL A 41 75.304 3.723 -4.423 1.00 0.22 H new ATOM 0 HG23 VAL A 41 75.938 3.802 -2.762 1.00 0.22 H new ATOM 295 N ASN A 42 80.198 4.815 -4.248 1.00 0.30 N ATOM 296 CA ASN A 42 81.507 5.292 -4.689 1.00 0.35 C ATOM 297 C ASN A 42 82.334 4.161 -5.305 1.00 0.36 C ATOM 298 O ASN A 42 83.114 4.387 -6.231 1.00 0.41 O ATOM 299 CB ASN A 42 82.259 5.902 -3.504 1.00 0.36 C ATOM 300 CG ASN A 42 81.524 7.143 -3.008 1.00 0.37 C ATOM 301 OD1 ASN A 42 81.154 7.221 -1.759 1.00 0.41 O flip ATOM 302 ND2 ASN A 42 81.271 8.064 -3.785 1.00 0.33 N flip ATOM 0 H ASN A 42 80.001 4.965 -3.258 1.00 0.30 H new ATOM 0 HA ASN A 42 81.352 6.051 -5.456 1.00 0.35 H new ATOM 0 HB2 ASN A 42 82.342 5.171 -2.699 1.00 0.36 H new ATOM 0 HB3 ASN A 42 83.274 6.164 -3.802 1.00 0.36 H new ATOM 0 HD21 ASN A 42 81.561 8.002 -4.761 1.00 0.33 H new ATOM 0 HD22 ASN A 42 80.772 8.889 -3.453 1.00 0.33 H new ATOM 309 N ASN A 43 82.163 2.946 -4.788 1.00 0.33 N ATOM 310 CA ASN A 43 82.884 1.782 -5.305 1.00 0.35 C ATOM 311 C ASN A 43 82.201 1.131 -6.518 1.00 0.33 C ATOM 312 O ASN A 43 82.616 0.055 -6.946 1.00 0.34 O ATOM 313 CB ASN A 43 83.044 0.739 -4.198 1.00 0.33 C ATOM 314 CG ASN A 43 83.911 1.291 -3.068 1.00 0.36 C ATOM 315 OD1 ASN A 43 84.688 2.223 -3.274 1.00 0.40 O ATOM 316 ND2 ASN A 43 83.823 0.764 -1.878 1.00 0.35 N ATOM 0 H ASN A 43 81.533 2.741 -4.013 1.00 0.33 H new ATOM 0 HA ASN A 43 83.856 2.144 -5.641 1.00 0.35 H new ATOM 0 HB2 ASN A 43 82.065 0.458 -3.810 1.00 0.33 H new ATOM 0 HB3 ASN A 43 83.497 -0.165 -4.604 1.00 0.33 H new ATOM 0 HD21 ASN A 43 84.399 1.124 -1.117 1.00 0.35 H new ATOM 0 HD22 ASN A 43 83.179 -0.008 -1.709 1.00 0.35 H new ATOM 323 N ASP A 44 81.156 1.755 -7.062 1.00 0.31 N ATOM 324 CA ASP A 44 80.451 1.216 -8.224 1.00 0.30 C ATOM 325 C ASP A 44 80.063 -0.250 -8.023 1.00 0.26 C ATOM 326 O ASP A 44 80.072 -1.040 -8.968 1.00 0.27 O ATOM 327 CB ASP A 44 81.336 1.355 -9.466 1.00 0.36 C ATOM 328 CG ASP A 44 80.497 1.198 -10.730 1.00 0.37 C ATOM 329 OD1 ASP A 44 80.362 0.079 -11.197 1.00 0.68 O ATOM 330 OD2 ASP A 44 80.001 2.202 -11.215 1.00 0.74 O ATOM 0 H ASP A 44 80.779 2.637 -6.715 1.00 0.31 H new ATOM 0 HA ASP A 44 79.531 1.785 -8.355 1.00 0.30 H new ATOM 0 HB2 ASP A 44 81.827 2.328 -9.465 1.00 0.36 H new ATOM 0 HB3 ASP A 44 82.123 0.601 -9.447 1.00 0.36 H new ATOM 335 N GLN A 45 79.720 -0.611 -6.790 1.00 0.23 N ATOM 336 CA GLN A 45 79.263 -1.971 -6.504 1.00 0.22 C ATOM 337 C GLN A 45 77.741 -2.113 -6.620 1.00 0.17 C ATOM 338 O GLN A 45 77.240 -3.218 -6.835 1.00 0.17 O ATOM 339 CB GLN A 45 79.728 -2.400 -5.107 1.00 0.26 C ATOM 340 CG GLN A 45 81.259 -2.421 -5.055 1.00 0.32 C ATOM 341 CD GLN A 45 81.816 -3.427 -6.061 1.00 0.62 C ATOM 342 OE1 GLN A 45 81.458 -4.604 -6.024 1.00 0.99 O ATOM 343 NE2 GLN A 45 82.655 -3.025 -6.975 1.00 0.66 N ATOM 0 H GLN A 45 79.748 0.009 -5.981 1.00 0.23 H new ATOM 0 HA GLN A 45 79.706 -2.625 -7.255 1.00 0.22 H new ATOM 0 HB2 GLN A 45 79.339 -1.712 -4.357 1.00 0.26 H new ATOM 0 HB3 GLN A 45 79.333 -3.388 -4.869 1.00 0.26 H new ATOM 0 HG2 GLN A 45 81.650 -1.427 -5.272 1.00 0.32 H new ATOM 0 HG3 GLN A 45 81.591 -2.681 -4.050 1.00 0.32 H new ATOM 0 HE21 GLN A 45 82.950 -2.049 -7.003 1.00 0.66 H new ATOM 0 HE22 GLN A 45 83.016 -3.687 -7.662 1.00 0.66 H new ATOM 352 N VAL A 46 77.001 -1.012 -6.478 1.00 0.16 N ATOM 353 CA VAL A 46 75.541 -1.067 -6.550 1.00 0.14 C ATOM 354 C VAL A 46 75.083 -1.101 -8.006 1.00 0.14 C ATOM 355 O VAL A 46 75.627 -0.392 -8.852 1.00 0.16 O ATOM 356 CB VAL A 46 74.928 0.144 -5.834 1.00 0.17 C ATOM 357 CG1 VAL A 46 73.401 0.025 -5.827 1.00 0.19 C ATOM 358 CG2 VAL A 46 75.428 0.200 -4.388 1.00 0.18 C ATOM 0 H VAL A 46 77.384 -0.081 -6.314 1.00 0.16 H new ATOM 0 HA VAL A 46 75.203 -1.977 -6.055 1.00 0.14 H new ATOM 0 HB VAL A 46 75.224 1.051 -6.361 1.00 0.17 H new ATOM 0 HG11 VAL A 46 72.971 0.887 -5.317 1.00 0.19 H new ATOM 0 HG12 VAL A 46 73.034 -0.010 -6.853 1.00 0.19 H new ATOM 0 HG13 VAL A 46 73.109 -0.887 -5.306 1.00 0.19 H new ATOM 0 HG21 VAL A 46 74.990 1.062 -3.885 1.00 0.18 H new ATOM 0 HG22 VAL A 46 75.137 -0.712 -3.867 1.00 0.18 H new ATOM 0 HG23 VAL A 46 76.514 0.290 -4.382 1.00 0.18 H new ATOM 368 N ARG A 47 74.080 -1.928 -8.293 1.00 0.13 N ATOM 369 CA ARG A 47 73.555 -2.040 -9.651 1.00 0.15 C ATOM 370 C ARG A 47 72.200 -1.346 -9.768 1.00 0.15 C ATOM 371 O ARG A 47 71.971 -0.552 -10.683 1.00 0.17 O ATOM 372 CB ARG A 47 73.400 -3.519 -10.013 1.00 0.15 C ATOM 373 CG ARG A 47 72.985 -3.653 -11.480 1.00 0.17 C ATOM 374 CD ARG A 47 72.770 -5.131 -11.813 1.00 0.18 C ATOM 375 NE ARG A 47 72.488 -5.293 -13.242 1.00 0.21 N ATOM 376 CZ ARG A 47 72.384 -6.487 -13.847 1.00 1.11 C ATOM 377 NH1 ARG A 47 72.527 -7.616 -13.194 1.00 2.22 N ATOM 378 NH2 ARG A 47 72.130 -6.525 -15.126 1.00 1.07 N ATOM 0 H ARG A 47 73.618 -2.526 -7.608 1.00 0.13 H new ATOM 0 HA ARG A 47 74.253 -1.557 -10.335 1.00 0.15 H new ATOM 0 HB2 ARG A 47 74.339 -4.045 -9.842 1.00 0.15 H new ATOM 0 HB3 ARG A 47 72.652 -3.984 -9.370 1.00 0.15 H new ATOM 0 HG2 ARG A 47 72.070 -3.090 -11.664 1.00 0.17 H new ATOM 0 HG3 ARG A 47 73.754 -3.231 -12.127 1.00 0.17 H new ATOM 0 HD2 ARG A 47 73.657 -5.705 -11.543 1.00 0.18 H new ATOM 0 HD3 ARG A 47 71.942 -5.527 -11.225 1.00 0.18 H new ATOM 0 HE ARG A 47 72.364 -4.453 -13.808 1.00 0.21 H new ATOM 0 HH11 ARG A 47 72.724 -7.605 -12.193 1.00 2.22 H new ATOM 0 HH12 ARG A 47 72.441 -8.505 -13.687 1.00 2.22 H new ATOM 0 HH21 ARG A 47 72.014 -5.657 -15.649 1.00 1.07 H new ATOM 0 HH22 ARG A 47 72.047 -7.423 -15.603 1.00 1.07 H new ATOM 392 N GLU A 48 71.309 -1.647 -8.827 1.00 0.14 N ATOM 393 CA GLU A 48 69.949 -1.115 -8.866 1.00 0.14 C ATOM 394 C GLU A 48 69.532 -0.565 -7.504 1.00 0.13 C ATOM 395 O GLU A 48 69.829 -1.164 -6.472 1.00 0.18 O ATOM 396 CB GLU A 48 68.981 -2.227 -9.279 1.00 0.16 C ATOM 397 CG GLU A 48 67.573 -1.647 -9.468 1.00 0.17 C ATOM 398 CD GLU A 48 66.545 -2.734 -9.801 1.00 0.61 C ATOM 399 OE1 GLU A 48 66.903 -3.902 -9.852 1.00 1.08 O ATOM 400 OE2 GLU A 48 65.398 -2.375 -10.004 1.00 0.59 O ATOM 0 H GLU A 48 71.503 -2.254 -8.031 1.00 0.14 H new ATOM 0 HA GLU A 48 69.920 -0.301 -9.590 1.00 0.14 H new ATOM 0 HB2 GLU A 48 69.320 -2.692 -10.205 1.00 0.16 H new ATOM 0 HB3 GLU A 48 68.964 -3.008 -8.518 1.00 0.16 H new ATOM 0 HG2 GLU A 48 67.270 -1.127 -8.559 1.00 0.17 H new ATOM 0 HG3 GLU A 48 67.590 -0.907 -10.268 1.00 0.17 H new ATOM 407 N ALA A 49 68.816 0.556 -7.514 1.00 0.12 N ATOM 408 CA ALA A 49 68.305 1.140 -6.276 1.00 0.13 C ATOM 409 C ALA A 49 66.851 1.580 -6.439 1.00 0.11 C ATOM 410 O ALA A 49 66.533 2.458 -7.243 1.00 0.12 O ATOM 411 CB ALA A 49 69.160 2.343 -5.875 1.00 0.18 C ATOM 0 H ALA A 49 68.577 1.076 -8.359 1.00 0.12 H new ATOM 0 HA ALA A 49 68.353 0.380 -5.497 1.00 0.13 H new ATOM 0 HB1 ALA A 49 68.773 2.773 -4.951 1.00 0.18 H new ATOM 0 HB2 ALA A 49 70.190 2.022 -5.722 1.00 0.18 H new ATOM 0 HB3 ALA A 49 69.127 3.093 -6.666 1.00 0.18 H new ATOM 417 N ARG A 50 65.963 0.936 -5.687 1.00 0.12 N ATOM 418 CA ARG A 50 64.560 1.334 -5.654 1.00 0.13 C ATOM 419 C ARG A 50 64.320 2.303 -4.500 1.00 0.16 C ATOM 420 O ARG A 50 64.758 2.051 -3.379 1.00 0.21 O ATOM 421 CB ARG A 50 63.681 0.097 -5.461 1.00 0.16 C ATOM 422 CG ARG A 50 63.782 -0.807 -6.692 1.00 0.16 C ATOM 423 CD ARG A 50 62.881 -2.030 -6.503 1.00 0.22 C ATOM 424 NE ARG A 50 61.471 -1.634 -6.551 1.00 1.33 N ATOM 425 CZ ARG A 50 60.482 -2.353 -6.000 1.00 2.05 C ATOM 426 NH1 ARG A 50 60.704 -3.479 -5.366 1.00 2.44 N ATOM 427 NH2 ARG A 50 59.256 -1.917 -6.097 1.00 2.82 N ATOM 0 H ARG A 50 66.190 0.138 -5.094 1.00 0.12 H new ATOM 0 HA ARG A 50 64.308 1.823 -6.595 1.00 0.13 H new ATOM 0 HB2 ARG A 50 63.995 -0.448 -4.571 1.00 0.16 H new ATOM 0 HB3 ARG A 50 62.645 0.397 -5.302 1.00 0.16 H new ATOM 0 HG2 ARG A 50 63.485 -0.258 -7.585 1.00 0.16 H new ATOM 0 HG3 ARG A 50 64.815 -1.122 -6.841 1.00 0.16 H new ATOM 0 HD2 ARG A 50 63.086 -2.765 -7.281 1.00 0.22 H new ATOM 0 HD3 ARG A 50 63.100 -2.507 -5.548 1.00 0.22 H new ATOM 0 HE ARG A 50 61.229 -0.766 -7.029 1.00 1.33 H new ATOM 0 HH11 ARG A 50 61.655 -3.836 -5.279 1.00 2.44 H new ATOM 0 HH12 ARG A 50 59.925 -3.998 -4.960 1.00 2.44 H new ATOM 0 HH21 ARG A 50 59.063 -1.043 -6.586 1.00 2.82 H new ATOM 0 HH22 ARG A 50 58.491 -2.450 -5.684 1.00 2.82 H new ATOM 441 N ILE A 51 63.572 3.372 -4.759 1.00 0.16 N ATOM 442 CA ILE A 51 63.281 4.370 -3.731 1.00 0.18 C ATOM 443 C ILE A 51 61.798 4.345 -3.359 1.00 0.13 C ATOM 444 O ILE A 51 60.931 4.488 -4.220 1.00 0.19 O ATOM 445 CB ILE A 51 63.666 5.763 -4.255 1.00 0.30 C ATOM 446 CG1 ILE A 51 65.154 5.780 -4.619 1.00 0.41 C ATOM 447 CG2 ILE A 51 63.399 6.832 -3.189 1.00 0.34 C ATOM 448 CD1 ILE A 51 65.494 7.087 -5.339 1.00 0.56 C ATOM 0 H ILE A 51 63.157 3.570 -5.669 1.00 0.16 H new ATOM 0 HA ILE A 51 63.861 4.139 -2.838 1.00 0.18 H new ATOM 0 HB ILE A 51 63.063 5.981 -5.136 1.00 0.30 H new ATOM 0 HG12 ILE A 51 65.760 5.682 -3.718 1.00 0.41 H new ATOM 0 HG13 ILE A 51 65.392 4.929 -5.258 1.00 0.41 H new ATOM 0 HG21 ILE A 51 63.678 7.811 -3.578 1.00 0.34 H new ATOM 0 HG22 ILE A 51 62.340 6.832 -2.931 1.00 0.34 H new ATOM 0 HG23 ILE A 51 63.989 6.614 -2.299 1.00 0.34 H new ATOM 0 HD11 ILE A 51 66.553 7.096 -5.596 1.00 0.56 H new ATOM 0 HD12 ILE A 51 64.899 7.167 -6.249 1.00 0.56 H new ATOM 0 HD13 ILE A 51 65.273 7.931 -4.685 1.00 0.56 H new ATOM 460 N ASN A 52 61.525 4.211 -2.064 1.00 0.17 N ATOM 461 CA ASN A 52 60.161 4.281 -1.558 1.00 0.18 C ATOM 462 C ASN A 52 60.149 5.002 -0.215 1.00 0.16 C ATOM 463 O ASN A 52 60.419 4.402 0.827 1.00 0.16 O ATOM 464 CB ASN A 52 59.590 2.870 -1.393 1.00 0.25 C ATOM 465 CG ASN A 52 58.087 2.926 -1.120 1.00 0.34 C ATOM 466 OD1 ASN A 52 57.441 3.948 -1.352 1.00 0.88 O ATOM 467 ND2 ASN A 52 57.487 1.873 -0.634 1.00 0.76 N ATOM 0 H ASN A 52 62.233 4.053 -1.347 1.00 0.17 H new ATOM 0 HA ASN A 52 59.545 4.832 -2.269 1.00 0.18 H new ATOM 0 HB2 ASN A 52 59.780 2.287 -2.294 1.00 0.25 H new ATOM 0 HB3 ASN A 52 60.095 2.361 -0.572 1.00 0.25 H new ATOM 0 HD21 ASN A 52 56.485 1.898 -0.447 1.00 0.76 H new ATOM 0 HD22 ASN A 52 58.021 1.025 -0.441 1.00 0.76 H new ATOM 474 N GLY A 53 59.873 6.301 -0.246 1.00 0.17 N ATOM 475 CA GLY A 53 59.847 7.090 0.980 1.00 0.19 C ATOM 476 C GLY A 53 61.219 7.093 1.649 1.00 0.19 C ATOM 477 O GLY A 53 62.234 7.369 1.010 1.00 0.21 O ATOM 0 H GLY A 53 59.666 6.825 -1.096 1.00 0.17 H new ATOM 0 HA2 GLY A 53 59.545 8.113 0.754 1.00 0.19 H new ATOM 0 HA3 GLY A 53 59.104 6.682 1.665 1.00 0.19 H new ATOM 481 N ARG A 54 61.234 6.785 2.941 1.00 0.19 N ATOM 482 CA ARG A 54 62.479 6.757 3.710 1.00 0.20 C ATOM 483 C ARG A 54 63.338 5.532 3.382 1.00 0.20 C ATOM 484 O ARG A 54 64.547 5.552 3.618 1.00 0.21 O ATOM 485 CB ARG A 54 62.161 6.771 5.207 1.00 0.22 C ATOM 486 CG ARG A 54 63.444 6.944 6.025 1.00 0.24 C ATOM 487 CD ARG A 54 63.095 6.914 7.515 1.00 0.27 C ATOM 488 NE ARG A 54 64.286 7.178 8.327 1.00 0.25 N ATOM 489 CZ ARG A 54 64.235 7.529 9.621 1.00 0.38 C ATOM 490 NH1 ARG A 54 63.099 7.693 10.258 1.00 0.62 N ATOM 491 NH2 ARG A 54 65.352 7.719 10.268 1.00 0.41 N ATOM 0 H ARG A 54 60.400 6.551 3.480 1.00 0.19 H new ATOM 0 HA ARG A 54 63.051 7.644 3.436 1.00 0.20 H new ATOM 0 HB2 ARG A 54 61.468 7.582 5.430 1.00 0.22 H new ATOM 0 HB3 ARG A 54 61.665 5.842 5.488 1.00 0.22 H new ATOM 0 HG2 ARG A 54 64.151 6.149 5.788 1.00 0.24 H new ATOM 0 HG3 ARG A 54 63.928 7.887 5.771 1.00 0.24 H new ATOM 0 HD2 ARG A 54 62.329 7.659 7.730 1.00 0.27 H new ATOM 0 HD3 ARG A 54 62.677 5.942 7.777 1.00 0.27 H new ATOM 0 HE ARG A 54 65.201 7.090 7.886 1.00 0.25 H new ATOM 0 HH11 ARG A 54 62.215 7.553 9.769 1.00 0.62 H new ATOM 0 HH12 ARG A 54 63.100 7.960 11.242 1.00 0.62 H new ATOM 0 HH21 ARG A 54 66.245 7.600 9.790 1.00 0.41 H new ATOM 0 HH22 ARG A 54 65.332 7.986 11.252 1.00 0.41 H new ATOM 505 N GLU A 55 62.736 4.468 2.848 1.00 0.21 N ATOM 506 CA GLU A 55 63.456 3.214 2.659 1.00 0.23 C ATOM 507 C GLU A 55 63.917 3.056 1.216 1.00 0.21 C ATOM 508 O GLU A 55 63.192 3.387 0.280 1.00 0.23 O ATOM 509 CB GLU A 55 62.547 2.038 3.025 1.00 0.25 C ATOM 510 CG GLU A 55 62.147 2.131 4.502 1.00 0.93 C ATOM 511 CD GLU A 55 61.303 0.928 4.938 1.00 1.83 C ATOM 512 OE1 GLU A 55 60.885 0.152 4.091 1.00 2.29 O ATOM 513 OE2 GLU A 55 61.085 0.800 6.131 1.00 2.44 O ATOM 0 H GLU A 55 61.763 4.451 2.543 1.00 0.21 H new ATOM 0 HA GLU A 55 64.333 3.228 3.306 1.00 0.23 H new ATOM 0 HB2 GLU A 55 61.657 2.045 2.396 1.00 0.25 H new ATOM 0 HB3 GLU A 55 63.062 1.096 2.837 1.00 0.25 H new ATOM 0 HG2 GLU A 55 63.044 2.189 5.119 1.00 0.93 H new ATOM 0 HG3 GLU A 55 61.585 3.050 4.670 1.00 0.93 H new ATOM 520 N ILE A 56 65.136 2.561 1.045 1.00 0.18 N ATOM 521 CA ILE A 56 65.648 2.219 -0.278 1.00 0.17 C ATOM 522 C ILE A 56 66.004 0.737 -0.301 1.00 0.15 C ATOM 523 O ILE A 56 66.704 0.252 0.588 1.00 0.13 O ATOM 524 CB ILE A 56 66.895 3.052 -0.601 1.00 0.18 C ATOM 525 CG1 ILE A 56 66.562 4.543 -0.498 1.00 0.20 C ATOM 526 CG2 ILE A 56 67.370 2.743 -2.025 1.00 0.18 C ATOM 527 CD1 ILE A 56 67.849 5.369 -0.569 1.00 0.22 C ATOM 0 H ILE A 56 65.791 2.387 1.807 1.00 0.18 H new ATOM 0 HA ILE A 56 64.884 2.433 -1.026 1.00 0.17 H new ATOM 0 HB ILE A 56 67.682 2.802 0.110 1.00 0.18 H new ATOM 0 HG12 ILE A 56 65.889 4.831 -1.306 1.00 0.20 H new ATOM 0 HG13 ILE A 56 66.041 4.745 0.438 1.00 0.20 H new ATOM 0 HG21 ILE A 56 68.256 3.337 -2.250 1.00 0.18 H new ATOM 0 HG22 ILE A 56 67.613 1.684 -2.106 1.00 0.18 H new ATOM 0 HG23 ILE A 56 66.579 2.988 -2.734 1.00 0.18 H new ATOM 0 HD11 ILE A 56 67.606 6.429 -0.495 1.00 0.22 H new ATOM 0 HD12 ILE A 56 68.507 5.090 0.254 1.00 0.22 H new ATOM 0 HD13 ILE A 56 68.352 5.177 -1.517 1.00 0.22 H new ATOM 539 N ASN A 57 65.523 0.020 -1.310 1.00 0.16 N ATOM 540 CA ASN A 57 65.867 -1.391 -1.459 1.00 0.16 C ATOM 541 C ASN A 57 66.925 -1.523 -2.545 1.00 0.15 C ATOM 542 O ASN A 57 66.742 -1.033 -3.655 1.00 0.17 O ATOM 543 CB ASN A 57 64.627 -2.203 -1.838 1.00 0.19 C ATOM 544 CG ASN A 57 63.560 -2.057 -0.758 1.00 0.24 C ATOM 545 OD1 ASN A 57 63.892 -2.188 0.497 1.00 1.23 O flip ATOM 546 ND2 ASN A 57 62.392 -1.817 -1.066 1.00 0.96 N flip ATOM 0 H ASN A 57 64.900 0.386 -2.030 1.00 0.16 H new ATOM 0 HA ASN A 57 66.253 -1.775 -0.514 1.00 0.16 H new ATOM 0 HB2 ASN A 57 64.236 -1.860 -2.796 1.00 0.19 H new ATOM 0 HB3 ASN A 57 64.893 -3.253 -1.959 1.00 0.19 H new ATOM 0 HD21 ASN A 57 62.134 -1.715 -2.048 1.00 0.96 H new ATOM 0 HD22 ASN A 57 61.683 -1.720 -0.340 1.00 0.96 H new ATOM 553 N VAL A 58 68.032 -2.186 -2.230 1.00 0.14 N ATOM 554 CA VAL A 58 69.199 -2.168 -3.113 1.00 0.13 C ATOM 555 C VAL A 58 69.600 -3.582 -3.520 1.00 0.11 C ATOM 556 O VAL A 58 69.605 -4.501 -2.700 1.00 0.10 O ATOM 557 CB VAL A 58 70.377 -1.491 -2.401 1.00 0.14 C ATOM 558 CG1 VAL A 58 71.564 -1.359 -3.361 1.00 0.15 C ATOM 559 CG2 VAL A 58 69.980 -0.090 -1.915 1.00 0.16 C ATOM 0 H VAL A 58 68.149 -2.738 -1.380 1.00 0.14 H new ATOM 0 HA VAL A 58 68.937 -1.609 -4.011 1.00 0.13 H new ATOM 0 HB VAL A 58 70.655 -2.107 -1.546 1.00 0.14 H new ATOM 0 HG11 VAL A 58 72.396 -0.877 -2.847 1.00 0.15 H new ATOM 0 HG12 VAL A 58 71.871 -2.349 -3.699 1.00 0.15 H new ATOM 0 HG13 VAL A 58 71.271 -0.757 -4.221 1.00 0.15 H new ATOM 0 HG21 VAL A 58 70.828 0.375 -1.412 1.00 0.16 H new ATOM 0 HG22 VAL A 58 69.684 0.521 -2.768 1.00 0.16 H new ATOM 0 HG23 VAL A 58 69.145 -0.169 -1.219 1.00 0.16 H new ATOM 569 N THR A 59 69.949 -3.734 -4.794 1.00 0.12 N ATOM 570 CA THR A 59 70.502 -4.987 -5.295 1.00 0.12 C ATOM 571 C THR A 59 71.933 -4.753 -5.774 1.00 0.14 C ATOM 572 O THR A 59 72.191 -3.858 -6.581 1.00 0.15 O ATOM 573 CB THR A 59 69.647 -5.504 -6.456 1.00 0.15 C ATOM 574 OG1 THR A 59 68.302 -5.642 -6.024 1.00 0.15 O ATOM 575 CG2 THR A 59 70.174 -6.861 -6.929 1.00 0.17 C ATOM 0 H THR A 59 69.858 -3.003 -5.499 1.00 0.12 H new ATOM 0 HA THR A 59 70.502 -5.728 -4.496 1.00 0.12 H new ATOM 0 HB THR A 59 69.696 -4.795 -7.282 1.00 0.15 H new ATOM 0 HG1 THR A 59 67.752 -5.971 -6.766 1.00 0.15 H new ATOM 0 HG21 THR A 59 69.561 -7.222 -7.755 1.00 0.17 H new ATOM 0 HG22 THR A 59 71.206 -6.754 -7.263 1.00 0.17 H new ATOM 0 HG23 THR A 59 70.131 -7.575 -6.106 1.00 0.17 H new ATOM 583 N LYS A 60 72.862 -5.546 -5.254 1.00 0.15 N ATOM 584 CA LYS A 60 74.264 -5.422 -5.634 1.00 0.20 C ATOM 585 C LYS A 60 74.573 -6.266 -6.864 1.00 0.24 C ATOM 586 O LYS A 60 73.880 -7.240 -7.151 1.00 0.24 O ATOM 587 CB LYS A 60 75.151 -5.878 -4.475 1.00 0.21 C ATOM 588 CG LYS A 60 74.967 -4.928 -3.290 1.00 0.87 C ATOM 589 CD LYS A 60 75.734 -5.463 -2.079 1.00 0.89 C ATOM 590 CE LYS A 60 77.240 -5.348 -2.325 1.00 1.70 C ATOM 591 NZ LYS A 60 77.593 -3.928 -2.608 1.00 1.91 N ATOM 0 H LYS A 60 72.671 -6.279 -4.571 1.00 0.15 H new ATOM 0 HA LYS A 60 74.463 -4.377 -5.870 1.00 0.20 H new ATOM 0 HB2 LYS A 60 74.892 -6.896 -4.183 1.00 0.21 H new ATOM 0 HB3 LYS A 60 76.196 -5.892 -4.786 1.00 0.21 H new ATOM 0 HG2 LYS A 60 75.327 -3.932 -3.550 1.00 0.87 H new ATOM 0 HG3 LYS A 60 73.908 -4.832 -3.049 1.00 0.87 H new ATOM 0 HD2 LYS A 60 75.459 -4.902 -1.186 1.00 0.89 H new ATOM 0 HD3 LYS A 60 75.465 -6.503 -1.897 1.00 0.89 H new ATOM 0 HE2 LYS A 60 77.789 -5.703 -1.453 1.00 1.70 H new ATOM 0 HE3 LYS A 60 77.531 -5.980 -3.164 1.00 1.70 H new ATOM 0 HZ1 LYS A 60 78.590 -3.762 -2.361 1.00 1.91 H new ATOM 0 HZ2 LYS A 60 77.449 -3.729 -3.619 1.00 1.91 H new ATOM 0 HZ3 LYS A 60 76.987 -3.300 -2.042 1.00 1.91 H new ATOM 605 N LYS A 61 75.642 -5.912 -7.568 1.00 0.31 N ATOM 606 CA LYS A 61 76.056 -6.677 -8.742 1.00 0.36 C ATOM 607 C LYS A 61 76.242 -8.162 -8.412 1.00 0.33 C ATOM 608 O LYS A 61 76.029 -9.020 -9.269 1.00 0.35 O ATOM 609 CB LYS A 61 77.367 -6.112 -9.293 1.00 0.46 C ATOM 610 CG LYS A 61 77.139 -4.682 -9.789 1.00 1.13 C ATOM 611 CD LYS A 61 78.420 -4.153 -10.435 1.00 1.08 C ATOM 612 CE LYS A 61 78.232 -2.685 -10.818 1.00 2.17 C ATOM 613 NZ LYS A 61 77.334 -2.593 -12.005 1.00 2.43 N ATOM 0 H LYS A 61 76.233 -5.110 -7.351 1.00 0.31 H new ATOM 0 HA LYS A 61 75.268 -6.591 -9.490 1.00 0.36 H new ATOM 0 HB2 LYS A 61 78.133 -6.121 -8.518 1.00 0.46 H new ATOM 0 HB3 LYS A 61 77.730 -6.737 -10.108 1.00 0.46 H new ATOM 0 HG2 LYS A 61 76.321 -4.662 -10.510 1.00 1.13 H new ATOM 0 HG3 LYS A 61 76.847 -4.040 -8.958 1.00 1.13 H new ATOM 0 HD2 LYS A 61 79.257 -4.255 -9.744 1.00 1.08 H new ATOM 0 HD3 LYS A 61 78.663 -4.742 -11.319 1.00 1.08 H new ATOM 0 HE2 LYS A 61 77.805 -2.132 -9.982 1.00 2.17 H new ATOM 0 HE3 LYS A 61 79.197 -2.230 -11.042 1.00 2.17 H new ATOM 0 HZ1 LYS A 61 77.300 -1.609 -12.339 1.00 2.43 H new ATOM 0 HZ2 LYS A 61 77.698 -3.204 -12.764 1.00 2.43 H new ATOM 0 HZ3 LYS A 61 76.377 -2.902 -11.741 1.00 2.43 H new ATOM 627 N ASP A 62 76.637 -8.466 -7.177 1.00 0.29 N ATOM 628 CA ASP A 62 76.898 -9.851 -6.780 1.00 0.30 C ATOM 629 C ASP A 62 75.620 -10.623 -6.420 1.00 0.28 C ATOM 630 O ASP A 62 75.696 -11.681 -5.796 1.00 0.30 O ATOM 631 CB ASP A 62 77.851 -9.861 -5.583 1.00 0.32 C ATOM 632 CG ASP A 62 78.503 -11.233 -5.439 1.00 0.40 C ATOM 633 OD1 ASP A 62 79.555 -11.431 -6.025 1.00 1.11 O ATOM 634 OD2 ASP A 62 77.944 -12.066 -4.745 1.00 0.81 O ATOM 0 H ASP A 62 76.783 -7.779 -6.438 1.00 0.29 H new ATOM 0 HA ASP A 62 77.344 -10.354 -7.638 1.00 0.30 H new ATOM 0 HB2 ASP A 62 78.618 -9.098 -5.713 1.00 0.32 H new ATOM 0 HB3 ASP A 62 77.306 -9.612 -4.673 1.00 0.32 H new ATOM 639 N SER A 63 74.448 -10.107 -6.805 1.00 0.26 N ATOM 640 CA SER A 63 73.167 -10.778 -6.547 1.00 0.28 C ATOM 641 C SER A 63 72.740 -10.734 -5.074 1.00 0.24 C ATOM 642 O SER A 63 71.646 -11.193 -4.745 1.00 0.26 O ATOM 643 CB SER A 63 73.207 -12.238 -7.016 1.00 0.36 C ATOM 644 OG SER A 63 71.878 -12.724 -7.140 1.00 1.09 O ATOM 0 H SER A 63 74.359 -9.220 -7.300 1.00 0.26 H new ATOM 0 HA SER A 63 72.426 -10.220 -7.119 1.00 0.28 H new ATOM 0 HB2 SER A 63 73.725 -12.311 -7.972 1.00 0.36 H new ATOM 0 HB3 SER A 63 73.765 -12.846 -6.304 1.00 0.36 H new ATOM 0 HG SER A 63 71.375 -12.513 -6.326 1.00 1.09 H new ATOM 650 N ASN A 64 73.580 -10.194 -4.187 1.00 0.20 N ATOM 651 CA ASN A 64 73.206 -10.057 -2.782 1.00 0.18 C ATOM 652 C ASN A 64 72.214 -8.912 -2.616 1.00 0.15 C ATOM 653 O ASN A 64 72.362 -7.862 -3.240 1.00 0.14 O ATOM 654 CB ASN A 64 74.452 -9.780 -1.937 1.00 0.19 C ATOM 655 CG ASN A 64 75.408 -10.968 -1.995 1.00 0.24 C ATOM 656 OD1 ASN A 64 74.997 -12.090 -2.292 1.00 0.85 O ATOM 657 ND2 ASN A 64 76.672 -10.787 -1.725 1.00 0.87 N ATOM 0 H ASN A 64 74.512 -9.849 -4.415 1.00 0.20 H new ATOM 0 HA ASN A 64 72.742 -10.985 -2.449 1.00 0.18 H new ATOM 0 HB2 ASN A 64 74.954 -8.883 -2.300 1.00 0.19 H new ATOM 0 HB3 ASN A 64 74.163 -9.587 -0.904 1.00 0.19 H new ATOM 0 HD21 ASN A 64 77.319 -11.575 -1.760 1.00 0.87 H new ATOM 0 HD22 ASN A 64 77.013 -9.858 -1.479 1.00 0.87 H new ATOM 664 N ARG A 65 71.196 -9.114 -1.782 1.00 0.15 N ATOM 665 CA ARG A 65 70.182 -8.083 -1.569 1.00 0.14 C ATOM 666 C ARG A 65 70.252 -7.528 -0.149 1.00 0.12 C ATOM 667 O ARG A 65 70.526 -8.252 0.811 1.00 0.14 O ATOM 668 CB ARG A 65 68.791 -8.674 -1.806 1.00 0.18 C ATOM 669 CG ARG A 65 68.670 -9.129 -3.263 1.00 0.21 C ATOM 670 CD ARG A 65 67.248 -9.626 -3.526 1.00 0.51 C ATOM 671 NE ARG A 65 67.166 -10.250 -4.849 1.00 1.47 N ATOM 672 CZ ARG A 65 66.982 -9.558 -5.984 1.00 2.00 C ATOM 673 NH1 ARG A 65 66.859 -8.252 -5.995 1.00 2.52 N ATOM 674 NH2 ARG A 65 66.922 -10.206 -7.115 1.00 2.51 N ATOM 0 H ARG A 65 71.052 -9.971 -1.248 1.00 0.15 H new ATOM 0 HA ARG A 65 70.371 -7.271 -2.271 1.00 0.14 H new ATOM 0 HB2 ARG A 65 68.624 -9.517 -1.136 1.00 0.18 H new ATOM 0 HB3 ARG A 65 68.026 -7.931 -1.581 1.00 0.18 H new ATOM 0 HG2 ARG A 65 68.908 -8.303 -3.934 1.00 0.21 H new ATOM 0 HG3 ARG A 65 69.388 -9.923 -3.468 1.00 0.21 H new ATOM 0 HD2 ARG A 65 66.958 -10.344 -2.759 1.00 0.51 H new ATOM 0 HD3 ARG A 65 66.547 -8.794 -3.465 1.00 0.51 H new ATOM 0 HE ARG A 65 67.253 -11.264 -4.911 1.00 1.47 H new ATOM 0 HH11 ARG A 65 66.902 -7.728 -5.121 1.00 2.52 H new ATOM 0 HH12 ARG A 65 66.720 -7.760 -6.878 1.00 2.52 H new ATOM 0 HH21 ARG A 65 67.014 -11.222 -7.126 1.00 2.51 H new ATOM 0 HH22 ARG A 65 66.783 -9.697 -7.988 1.00 2.51 H new ATOM 688 N TYR A 66 69.981 -6.233 -0.020 1.00 0.10 N ATOM 689 CA TYR A 66 69.970 -5.600 1.292 1.00 0.10 C ATOM 690 C TYR A 66 69.031 -4.396 1.316 1.00 0.09 C ATOM 691 O TYR A 66 68.632 -3.884 0.272 1.00 0.10 O ATOM 692 CB TYR A 66 71.391 -5.184 1.689 1.00 0.10 C ATOM 693 CG TYR A 66 71.952 -4.008 0.920 1.00 0.09 C ATOM 694 CD1 TYR A 66 71.646 -2.702 1.322 1.00 0.09 C ATOM 695 CD2 TYR A 66 72.795 -4.225 -0.176 1.00 0.12 C ATOM 696 CE1 TYR A 66 72.185 -1.612 0.629 1.00 0.12 C ATOM 697 CE2 TYR A 66 73.330 -3.134 -0.872 1.00 0.15 C ATOM 698 CZ TYR A 66 73.027 -1.828 -0.467 1.00 0.15 C ATOM 699 OH TYR A 66 73.559 -0.755 -1.150 1.00 0.19 O ATOM 0 H TYR A 66 69.769 -5.609 -0.798 1.00 0.10 H new ATOM 0 HA TYR A 66 69.600 -6.325 2.017 1.00 0.10 H new ATOM 0 HB2 TYR A 66 71.399 -4.941 2.752 1.00 0.10 H new ATOM 0 HB3 TYR A 66 72.055 -6.038 1.553 1.00 0.10 H new ATOM 0 HD1 TYR A 66 70.994 -2.536 2.167 1.00 0.09 H new ATOM 0 HD2 TYR A 66 73.033 -5.232 -0.484 1.00 0.12 H new ATOM 0 HE1 TYR A 66 71.951 -0.605 0.940 1.00 0.12 H new ATOM 0 HE2 TYR A 66 73.976 -3.300 -1.721 1.00 0.15 H new ATOM 0 HH TYR A 66 74.537 -0.795 -1.112 1.00 0.19 H new ATOM 709 N THR A 67 68.684 -3.953 2.521 1.00 0.09 N ATOM 710 CA THR A 67 67.800 -2.805 2.691 1.00 0.10 C ATOM 711 C THR A 67 68.477 -1.744 3.553 1.00 0.09 C ATOM 712 O THR A 67 69.092 -2.056 4.574 1.00 0.10 O ATOM 713 CB THR A 67 66.492 -3.247 3.354 1.00 0.12 C ATOM 714 OG1 THR A 67 65.919 -4.307 2.603 1.00 0.14 O ATOM 715 CG2 THR A 67 65.518 -2.068 3.404 1.00 0.14 C ATOM 0 H THR A 67 69.002 -4.372 3.395 1.00 0.09 H new ATOM 0 HA THR A 67 67.582 -2.382 1.710 1.00 0.10 H new ATOM 0 HB THR A 67 66.695 -3.588 4.369 1.00 0.12 H new ATOM 0 HG1 THR A 67 65.083 -4.593 3.026 1.00 0.14 H new ATOM 0 HG21 THR A 67 64.588 -2.384 3.876 1.00 0.14 H new ATOM 0 HG22 THR A 67 65.960 -1.255 3.981 1.00 0.14 H new ATOM 0 HG23 THR A 67 65.312 -1.723 2.391 1.00 0.14 H new ATOM 723 N THR A 68 68.363 -0.487 3.138 1.00 0.09 N ATOM 724 CA THR A 68 68.978 0.613 3.880 1.00 0.09 C ATOM 725 C THR A 68 67.957 1.705 4.188 1.00 0.11 C ATOM 726 O THR A 68 67.075 1.988 3.379 1.00 0.14 O ATOM 727 CB THR A 68 70.138 1.199 3.069 1.00 0.10 C ATOM 728 OG1 THR A 68 70.737 2.258 3.802 1.00 0.11 O ATOM 729 CG2 THR A 68 69.627 1.725 1.725 1.00 0.12 C ATOM 0 H THR A 68 67.856 -0.204 2.300 1.00 0.09 H new ATOM 0 HA THR A 68 69.354 0.222 4.825 1.00 0.09 H new ATOM 0 HB THR A 68 70.877 0.419 2.884 1.00 0.10 H new ATOM 0 HG1 THR A 68 71.050 1.921 4.667 1.00 0.11 H new ATOM 0 HG21 THR A 68 70.459 2.139 1.156 1.00 0.12 H new ATOM 0 HG22 THR A 68 69.174 0.908 1.163 1.00 0.12 H new ATOM 0 HG23 THR A 68 68.883 2.502 1.898 1.00 0.12 H new ATOM 737 N TYR A 69 68.088 2.315 5.362 1.00 0.09 N ATOM 738 CA TYR A 69 67.208 3.415 5.748 1.00 0.10 C ATOM 739 C TYR A 69 67.936 4.748 5.610 1.00 0.10 C ATOM 740 O TYR A 69 69.125 4.843 5.917 1.00 0.09 O ATOM 741 CB TYR A 69 66.745 3.232 7.195 1.00 0.12 C ATOM 742 CG TYR A 69 65.736 2.120 7.366 1.00 0.16 C ATOM 743 CD1 TYR A 69 66.163 0.792 7.463 1.00 0.26 C ATOM 744 CD2 TYR A 69 64.371 2.423 7.430 1.00 0.16 C ATOM 745 CE1 TYR A 69 65.225 -0.235 7.624 1.00 0.30 C ATOM 746 CE2 TYR A 69 63.433 1.397 7.590 1.00 0.20 C ATOM 747 CZ TYR A 69 63.859 0.067 7.687 1.00 0.24 C ATOM 748 OH TYR A 69 62.934 -0.944 7.846 1.00 0.29 O ATOM 0 H TYR A 69 68.790 2.069 6.060 1.00 0.09 H new ATOM 0 HA TYR A 69 66.340 3.413 5.088 1.00 0.10 H new ATOM 0 HB2 TYR A 69 67.612 3.026 7.823 1.00 0.12 H new ATOM 0 HB3 TYR A 69 66.309 4.166 7.550 1.00 0.12 H new ATOM 0 HD1 TYR A 69 67.216 0.558 7.414 1.00 0.26 H new ATOM 0 HD2 TYR A 69 64.042 3.449 7.356 1.00 0.16 H new ATOM 0 HE1 TYR A 69 65.555 -1.261 7.700 1.00 0.30 H new ATOM 0 HE2 TYR A 69 62.380 1.631 7.639 1.00 0.20 H new ATOM 0 HH TYR A 69 62.113 -0.716 7.361 1.00 0.29 H new ATOM 758 N ILE A 70 67.223 5.773 5.149 1.00 0.12 N ATOM 759 CA ILE A 70 67.838 7.088 4.976 1.00 0.13 C ATOM 760 C ILE A 70 67.566 7.963 6.207 1.00 0.13 C ATOM 761 O ILE A 70 66.416 8.365 6.402 1.00 0.16 O ATOM 762 CB ILE A 70 67.261 7.809 3.748 1.00 0.17 C ATOM 763 CG1 ILE A 70 67.270 6.904 2.510 1.00 0.18 C ATOM 764 CG2 ILE A 70 68.118 9.041 3.457 1.00 0.19 C ATOM 765 CD1 ILE A 70 66.476 7.573 1.384 1.00 0.34 C ATOM 0 H ILE A 70 66.237 5.722 4.892 1.00 0.12 H new ATOM 0 HA ILE A 70 68.909 6.934 4.843 1.00 0.13 H new ATOM 0 HB ILE A 70 66.230 8.087 3.965 1.00 0.17 H new ATOM 0 HG12 ILE A 70 68.295 6.721 2.188 1.00 0.18 H new ATOM 0 HG13 ILE A 70 66.833 5.935 2.751 1.00 0.18 H new ATOM 0 HG21 ILE A 70 67.720 9.564 2.587 1.00 0.19 H new ATOM 0 HG22 ILE A 70 68.102 9.707 4.319 1.00 0.19 H new ATOM 0 HG23 ILE A 70 69.144 8.732 3.257 1.00 0.19 H new ATOM 0 HD11 ILE A 70 66.482 6.931 0.503 1.00 0.34 H new ATOM 0 HD12 ILE A 70 65.448 7.734 1.709 1.00 0.34 H new ATOM 0 HD13 ILE A 70 66.932 8.532 1.137 1.00 0.34 H new ATOM 777 N PRO A 71 68.546 8.274 7.036 1.00 0.13 N ATOM 778 CA PRO A 71 68.297 9.126 8.244 1.00 0.14 C ATOM 779 C PRO A 71 67.667 10.473 7.885 1.00 0.14 C ATOM 780 O PRO A 71 66.759 10.942 8.572 1.00 0.14 O ATOM 781 CB PRO A 71 69.675 9.303 8.900 1.00 0.16 C ATOM 782 CG PRO A 71 70.679 8.822 7.907 1.00 0.18 C ATOM 783 CD PRO A 71 69.956 7.847 6.982 1.00 0.16 C ATOM 0 HA PRO A 71 67.581 8.656 8.918 1.00 0.14 H new ATOM 0 HB2 PRO A 71 69.852 10.348 9.156 1.00 0.16 H new ATOM 0 HB3 PRO A 71 69.740 8.732 9.826 1.00 0.16 H new ATOM 0 HG2 PRO A 71 71.093 9.657 7.341 1.00 0.18 H new ATOM 0 HG3 PRO A 71 71.514 8.332 8.408 1.00 0.18 H new ATOM 0 HD2 PRO A 71 70.348 7.897 5.966 1.00 0.16 H new ATOM 0 HD3 PRO A 71 70.073 6.817 7.319 1.00 0.16 H new ATOM 791 N VAL A 72 68.152 11.091 6.813 1.00 0.16 N ATOM 792 CA VAL A 72 67.595 12.356 6.346 1.00 0.19 C ATOM 793 C VAL A 72 67.499 12.339 4.823 1.00 0.21 C ATOM 794 O VAL A 72 68.410 11.863 4.145 1.00 0.30 O ATOM 795 CB VAL A 72 68.471 13.528 6.803 1.00 0.20 C ATOM 796 CG1 VAL A 72 67.826 14.852 6.383 1.00 1.34 C ATOM 797 CG2 VAL A 72 68.611 13.504 8.328 1.00 1.40 C ATOM 0 H VAL A 72 68.927 10.738 6.252 1.00 0.16 H new ATOM 0 HA VAL A 72 66.599 12.483 6.771 1.00 0.19 H new ATOM 0 HB VAL A 72 69.454 13.436 6.341 1.00 0.20 H new ATOM 0 HG11 VAL A 72 68.452 15.682 6.710 1.00 1.34 H new ATOM 0 HG12 VAL A 72 67.725 14.879 5.298 1.00 1.34 H new ATOM 0 HG13 VAL A 72 66.841 14.938 6.841 1.00 1.34 H new ATOM 0 HG21 VAL A 72 69.234 14.338 8.649 1.00 1.40 H new ATOM 0 HG22 VAL A 72 67.625 13.590 8.785 1.00 1.40 H new ATOM 0 HG23 VAL A 72 69.073 12.566 8.636 1.00 1.40 H new ATOM 807 N GLN A 73 66.401 12.866 4.287 1.00 0.34 N ATOM 808 CA GLN A 73 66.197 12.856 2.841 1.00 0.41 C ATOM 809 C GLN A 73 67.345 13.576 2.138 1.00 0.28 C ATOM 810 O GLN A 73 67.687 14.707 2.484 1.00 0.37 O ATOM 811 CB GLN A 73 64.871 13.543 2.495 1.00 0.66 C ATOM 812 CG GLN A 73 63.709 12.862 3.227 1.00 1.37 C ATOM 813 CD GLN A 73 63.620 11.384 2.853 1.00 1.56 C ATOM 814 OE1 GLN A 73 63.622 11.042 1.671 1.00 1.56 O ATOM 815 NE2 GLN A 73 63.542 10.485 3.795 1.00 2.32 N ATOM 0 H GLN A 73 65.649 13.299 4.823 1.00 0.34 H new ATOM 0 HA GLN A 73 66.167 11.821 2.501 1.00 0.41 H new ATOM 0 HB2 GLN A 73 64.917 14.596 2.772 1.00 0.66 H new ATOM 0 HB3 GLN A 73 64.704 13.504 1.419 1.00 0.66 H new ATOM 0 HG2 GLN A 73 63.845 12.961 4.304 1.00 1.37 H new ATOM 0 HG3 GLN A 73 62.773 13.362 2.976 1.00 1.37 H new ATOM 0 HE21 GLN A 73 63.541 10.771 4.774 1.00 2.32 H new ATOM 0 HE22 GLN A 73 63.483 9.496 3.552 1.00 2.32 H new ATOM 824 N ASP A 74 67.933 12.910 1.148 1.00 0.27 N ATOM 825 CA ASP A 74 69.067 13.471 0.416 1.00 0.39 C ATOM 826 C ASP A 74 68.720 13.630 -1.069 1.00 0.34 C ATOM 827 O ASP A 74 68.930 12.697 -1.848 1.00 0.32 O ATOM 828 CB ASP A 74 70.273 12.539 0.579 1.00 0.60 C ATOM 829 CG ASP A 74 71.573 13.335 0.520 1.00 1.00 C ATOM 830 OD1 ASP A 74 71.813 13.971 -0.493 1.00 1.52 O ATOM 831 OD2 ASP A 74 72.310 13.294 1.492 1.00 1.61 O ATOM 0 H ASP A 74 67.645 11.983 0.834 1.00 0.27 H new ATOM 0 HA ASP A 74 69.306 14.456 0.817 1.00 0.39 H new ATOM 0 HB2 ASP A 74 70.206 12.010 1.530 1.00 0.60 H new ATOM 0 HB3 ASP A 74 70.266 11.784 -0.207 1.00 0.60 H new ATOM 836 N PRO A 75 68.183 14.758 -1.485 1.00 0.36 N ATOM 837 CA PRO A 75 67.850 14.978 -2.930 1.00 0.36 C ATOM 838 C PRO A 75 69.074 14.842 -3.835 1.00 0.29 C ATOM 839 O PRO A 75 68.958 14.438 -4.993 1.00 0.30 O ATOM 840 CB PRO A 75 67.307 16.410 -2.975 1.00 0.47 C ATOM 841 CG PRO A 75 66.831 16.679 -1.590 1.00 0.53 C ATOM 842 CD PRO A 75 67.806 15.939 -0.681 1.00 0.45 C ATOM 0 HA PRO A 75 67.140 14.236 -3.294 1.00 0.36 H new ATOM 0 HB2 PRO A 75 68.081 17.118 -3.272 1.00 0.47 H new ATOM 0 HB3 PRO A 75 66.496 16.503 -3.697 1.00 0.47 H new ATOM 0 HG2 PRO A 75 66.827 17.748 -1.376 1.00 0.53 H new ATOM 0 HG3 PRO A 75 65.811 16.321 -1.448 1.00 0.53 H new ATOM 0 HD2 PRO A 75 68.673 16.553 -0.435 1.00 0.45 H new ATOM 0 HD3 PRO A 75 67.340 15.653 0.262 1.00 0.45 H new ATOM 850 N LYS A 76 70.244 15.180 -3.300 1.00 0.26 N ATOM 851 CA LYS A 76 71.487 15.076 -4.062 1.00 0.26 C ATOM 852 C LYS A 76 71.792 13.628 -4.457 1.00 0.22 C ATOM 853 O LYS A 76 72.400 13.377 -5.498 1.00 0.22 O ATOM 854 CB LYS A 76 72.650 15.650 -3.249 1.00 0.28 C ATOM 855 CG LYS A 76 73.911 15.693 -4.115 1.00 0.36 C ATOM 856 CD LYS A 76 75.090 16.192 -3.277 1.00 0.82 C ATOM 857 CE LYS A 76 76.312 16.383 -4.177 1.00 0.97 C ATOM 858 NZ LYS A 76 77.406 17.031 -3.401 1.00 1.84 N ATOM 0 H LYS A 76 70.359 15.526 -2.347 1.00 0.26 H new ATOM 0 HA LYS A 76 71.362 15.652 -4.979 1.00 0.26 H new ATOM 0 HB2 LYS A 76 72.403 16.652 -2.899 1.00 0.28 H new ATOM 0 HB3 LYS A 76 72.825 15.038 -2.364 1.00 0.28 H new ATOM 0 HG2 LYS A 76 74.127 14.701 -4.511 1.00 0.36 H new ATOM 0 HG3 LYS A 76 73.755 16.350 -4.970 1.00 0.36 H new ATOM 0 HD2 LYS A 76 74.832 17.133 -2.792 1.00 0.82 H new ATOM 0 HD3 LYS A 76 75.316 15.477 -2.486 1.00 0.82 H new ATOM 0 HE2 LYS A 76 76.647 15.420 -4.563 1.00 0.97 H new ATOM 0 HE3 LYS A 76 76.050 16.997 -5.038 1.00 0.97 H new ATOM 0 HZ1 LYS A 76 78.236 17.161 -4.014 1.00 1.84 H new ATOM 0 HZ2 LYS A 76 77.084 17.957 -3.054 1.00 1.84 H new ATOM 0 HZ3 LYS A 76 77.662 16.429 -2.593 1.00 1.84 H new ATOM 872 N LEU A 77 71.367 12.674 -3.632 1.00 0.20 N ATOM 873 CA LEU A 77 71.681 11.271 -3.876 1.00 0.20 C ATOM 874 C LEU A 77 71.205 10.839 -5.261 1.00 0.19 C ATOM 875 O LEU A 77 71.888 10.079 -5.947 1.00 0.19 O ATOM 876 CB LEU A 77 71.019 10.396 -2.809 1.00 0.23 C ATOM 877 CG LEU A 77 71.470 8.943 -2.976 1.00 0.25 C ATOM 878 CD1 LEU A 77 72.939 8.815 -2.572 1.00 0.26 C ATOM 879 CD2 LEU A 77 70.617 8.040 -2.083 1.00 0.27 C ATOM 0 H LEU A 77 70.809 12.846 -2.796 1.00 0.20 H new ATOM 0 HA LEU A 77 72.763 11.150 -3.828 1.00 0.20 H new ATOM 0 HB2 LEU A 77 71.284 10.756 -1.815 1.00 0.23 H new ATOM 0 HB3 LEU A 77 69.934 10.462 -2.894 1.00 0.23 H new ATOM 0 HG LEU A 77 71.352 8.643 -4.017 1.00 0.25 H new ATOM 0 HD11 LEU A 77 73.260 7.780 -2.691 1.00 0.26 H new ATOM 0 HD12 LEU A 77 73.548 9.459 -3.206 1.00 0.26 H new ATOM 0 HD13 LEU A 77 73.057 9.114 -1.531 1.00 0.26 H new ATOM 0 HD21 LEU A 77 70.937 7.005 -2.201 1.00 0.27 H new ATOM 0 HD22 LEU A 77 70.736 8.340 -1.042 1.00 0.27 H new ATOM 0 HD23 LEU A 77 69.569 8.131 -2.369 1.00 0.27 H new ATOM 891 N LEU A 78 70.051 11.346 -5.683 1.00 0.20 N ATOM 892 CA LEU A 78 69.497 10.970 -6.979 1.00 0.24 C ATOM 893 C LEU A 78 70.474 11.329 -8.094 1.00 0.21 C ATOM 894 O LEU A 78 70.782 10.509 -8.960 1.00 0.22 O ATOM 895 CB LEU A 78 68.168 11.693 -7.210 1.00 0.31 C ATOM 896 CG LEU A 78 67.185 11.347 -6.089 1.00 0.37 C ATOM 897 CD1 LEU A 78 65.901 12.160 -6.270 1.00 0.45 C ATOM 898 CD2 LEU A 78 66.845 9.855 -6.144 1.00 0.47 C ATOM 0 H LEU A 78 69.487 12.011 -5.154 1.00 0.20 H new ATOM 0 HA LEU A 78 69.328 9.893 -6.986 1.00 0.24 H new ATOM 0 HB2 LEU A 78 68.331 12.770 -7.243 1.00 0.31 H new ATOM 0 HB3 LEU A 78 67.750 11.404 -8.174 1.00 0.31 H new ATOM 0 HG LEU A 78 67.640 11.583 -5.127 1.00 0.37 H new ATOM 0 HD11 LEU A 78 65.200 11.915 -5.472 1.00 0.45 H new ATOM 0 HD12 LEU A 78 66.136 13.224 -6.233 1.00 0.45 H new ATOM 0 HD13 LEU A 78 65.452 11.921 -7.234 1.00 0.45 H new ATOM 0 HD21 LEU A 78 66.145 9.612 -5.345 1.00 0.47 H new ATOM 0 HD22 LEU A 78 66.392 9.620 -7.107 1.00 0.47 H new ATOM 0 HD23 LEU A 78 67.756 9.269 -6.019 1.00 0.47 H new ATOM 910 N ASP A 79 70.999 12.548 -8.038 1.00 0.20 N ATOM 911 CA ASP A 79 71.920 13.012 -9.069 1.00 0.23 C ATOM 912 C ASP A 79 73.158 12.125 -9.124 1.00 0.22 C ATOM 913 O ASP A 79 73.639 11.783 -10.206 1.00 0.25 O ATOM 914 CB ASP A 79 72.335 14.460 -8.788 1.00 0.24 C ATOM 915 CG ASP A 79 71.127 15.389 -8.881 1.00 0.87 C ATOM 916 OD1 ASP A 79 70.235 15.103 -9.665 1.00 1.83 O ATOM 917 OD2 ASP A 79 71.111 16.375 -8.164 1.00 0.84 O ATOM 0 H ASP A 79 70.806 13.225 -7.300 1.00 0.20 H new ATOM 0 HA ASP A 79 71.411 12.962 -10.032 1.00 0.23 H new ATOM 0 HB2 ASP A 79 72.780 14.531 -7.796 1.00 0.24 H new ATOM 0 HB3 ASP A 79 73.097 14.772 -9.503 1.00 0.24 H new ATOM 922 N ASN A 80 73.659 11.736 -7.958 1.00 0.20 N ATOM 923 CA ASN A 80 74.846 10.889 -7.899 1.00 0.22 C ATOM 924 C ASN A 80 74.602 9.561 -8.612 1.00 0.23 C ATOM 925 O ASN A 80 75.405 9.137 -9.442 1.00 0.26 O ATOM 926 CB ASN A 80 75.220 10.624 -6.439 1.00 0.22 C ATOM 927 CG ASN A 80 76.631 10.051 -6.359 1.00 0.27 C ATOM 928 OD1 ASN A 80 76.828 8.909 -5.760 1.00 0.64 O flip ATOM 929 ND2 ASN A 80 77.579 10.662 -6.854 1.00 0.66 N flip ATOM 0 H ASN A 80 73.268 11.989 -7.050 1.00 0.20 H new ATOM 0 HA ASN A 80 75.663 11.408 -8.400 1.00 0.22 H new ATOM 0 HB2 ASN A 80 75.161 11.549 -5.866 1.00 0.22 H new ATOM 0 HB3 ASN A 80 74.510 9.927 -5.993 1.00 0.22 H new ATOM 0 HD21 ASN A 80 77.422 11.555 -7.322 1.00 0.66 H new ATOM 0 HD22 ASN A 80 78.521 10.275 -6.796 1.00 0.66 H new ATOM 936 N LEU A 81 73.474 8.922 -8.314 1.00 0.20 N ATOM 937 CA LEU A 81 73.161 7.632 -8.921 1.00 0.21 C ATOM 938 C LEU A 81 73.125 7.733 -10.441 1.00 0.24 C ATOM 939 O LEU A 81 73.530 6.798 -11.130 1.00 0.27 O ATOM 940 CB LEU A 81 71.808 7.127 -8.412 1.00 0.20 C ATOM 941 CG LEU A 81 71.861 6.935 -6.895 1.00 0.20 C ATOM 942 CD1 LEU A 81 70.465 6.587 -6.376 1.00 0.19 C ATOM 943 CD2 LEU A 81 72.822 5.792 -6.556 1.00 0.24 C ATOM 0 H LEU A 81 72.769 9.271 -7.664 1.00 0.20 H new ATOM 0 HA LEU A 81 73.945 6.930 -8.639 1.00 0.21 H new ATOM 0 HB2 LEU A 81 71.024 7.839 -8.670 1.00 0.20 H new ATOM 0 HB3 LEU A 81 71.556 6.185 -8.898 1.00 0.20 H new ATOM 0 HG LEU A 81 72.208 7.856 -6.427 1.00 0.20 H new ATOM 0 HD11 LEU A 81 70.502 6.450 -5.295 1.00 0.19 H new ATOM 0 HD12 LEU A 81 69.775 7.396 -6.616 1.00 0.19 H new ATOM 0 HD13 LEU A 81 70.121 5.666 -6.847 1.00 0.19 H new ATOM 0 HD21 LEU A 81 72.859 5.656 -5.475 1.00 0.24 H new ATOM 0 HD22 LEU A 81 72.473 4.872 -7.026 1.00 0.24 H new ATOM 0 HD23 LEU A 81 73.819 6.033 -6.926 1.00 0.24 H new ATOM 955 N LEU A 82 72.637 8.857 -10.962 1.00 0.25 N ATOM 956 CA LEU A 82 72.592 9.040 -12.410 1.00 0.29 C ATOM 957 C LEU A 82 73.999 9.135 -12.995 1.00 0.32 C ATOM 958 O LEU A 82 74.296 8.492 -14.000 1.00 0.36 O ATOM 959 CB LEU A 82 71.788 10.292 -12.769 1.00 0.30 C ATOM 960 CG LEU A 82 70.360 10.167 -12.232 1.00 0.29 C ATOM 961 CD1 LEU A 82 69.602 11.469 -12.496 1.00 0.32 C ATOM 962 CD2 LEU A 82 69.640 9.017 -12.940 1.00 0.32 C ATOM 0 H LEU A 82 72.275 9.639 -10.417 1.00 0.25 H new ATOM 0 HA LEU A 82 72.099 8.169 -12.842 1.00 0.29 H new ATOM 0 HB2 LEU A 82 72.268 11.176 -12.348 1.00 0.30 H new ATOM 0 HB3 LEU A 82 71.769 10.424 -13.851 1.00 0.30 H new ATOM 0 HG LEU A 82 70.396 9.970 -11.161 1.00 0.29 H new ATOM 0 HD11 LEU A 82 68.585 11.382 -12.114 1.00 0.32 H new ATOM 0 HD12 LEU A 82 70.109 12.293 -11.994 1.00 0.32 H new ATOM 0 HD13 LEU A 82 69.572 11.661 -13.568 1.00 0.32 H new ATOM 0 HD21 LEU A 82 68.624 8.932 -12.555 1.00 0.32 H new ATOM 0 HD22 LEU A 82 69.606 9.214 -14.012 1.00 0.32 H new ATOM 0 HD23 LEU A 82 70.176 8.085 -12.759 1.00 0.32 H new ATOM 974 N THR A 83 74.877 9.896 -12.346 1.00 0.32 N ATOM 975 CA THR A 83 76.258 10.013 -12.813 1.00 0.36 C ATOM 976 C THR A 83 76.965 8.656 -12.839 1.00 0.37 C ATOM 977 O THR A 83 77.816 8.408 -13.693 1.00 0.41 O ATOM 978 CB THR A 83 77.029 10.974 -11.905 1.00 0.36 C ATOM 979 OG1 THR A 83 76.320 12.201 -11.807 1.00 0.40 O ATOM 980 CG2 THR A 83 78.418 11.234 -12.492 1.00 0.32 C ATOM 0 H THR A 83 74.662 10.434 -11.507 1.00 0.32 H new ATOM 0 HA THR A 83 76.234 10.399 -13.832 1.00 0.36 H new ATOM 0 HB THR A 83 77.133 10.531 -10.914 1.00 0.36 H new ATOM 0 HG1 THR A 83 76.811 12.817 -11.224 1.00 0.40 H new ATOM 0 HG21 THR A 83 78.965 11.919 -11.844 1.00 0.32 H new ATOM 0 HG22 THR A 83 78.963 10.293 -12.568 1.00 0.32 H new ATOM 0 HG23 THR A 83 78.317 11.676 -13.483 1.00 0.32 H new ATOM 988 N LYS A 84 76.611 7.782 -11.900 1.00 0.34 N ATOM 989 CA LYS A 84 77.195 6.440 -11.834 1.00 0.36 C ATOM 990 C LYS A 84 76.556 5.449 -12.821 1.00 0.36 C ATOM 991 O LYS A 84 76.973 4.292 -12.875 1.00 0.37 O ATOM 992 CB LYS A 84 77.090 5.887 -10.410 1.00 0.35 C ATOM 993 CG LYS A 84 77.752 6.846 -9.417 1.00 0.38 C ATOM 994 CD LYS A 84 79.252 6.952 -9.708 1.00 1.08 C ATOM 995 CE LYS A 84 79.932 7.742 -8.588 1.00 1.07 C ATOM 996 NZ LYS A 84 81.392 7.840 -8.865 1.00 2.15 N ATOM 0 H LYS A 84 75.923 7.977 -11.173 1.00 0.34 H new ATOM 0 HA LYS A 84 78.241 6.546 -12.122 1.00 0.36 H new ATOM 0 HB2 LYS A 84 76.043 5.744 -10.145 1.00 0.35 H new ATOM 0 HB3 LYS A 84 77.569 4.909 -10.356 1.00 0.35 H new ATOM 0 HG2 LYS A 84 77.290 7.831 -9.487 1.00 0.38 H new ATOM 0 HG3 LYS A 84 77.595 6.492 -8.398 1.00 0.38 H new ATOM 0 HD2 LYS A 84 79.690 5.957 -9.784 1.00 1.08 H new ATOM 0 HD3 LYS A 84 79.414 7.446 -10.666 1.00 1.08 H new ATOM 0 HE2 LYS A 84 79.497 8.739 -8.516 1.00 1.07 H new ATOM 0 HE3 LYS A 84 79.765 7.251 -7.629 1.00 1.07 H new ATOM 0 HZ1 LYS A 84 81.854 8.377 -8.104 1.00 2.15 H new ATOM 0 HZ2 LYS A 84 81.801 6.885 -8.913 1.00 2.15 H new ATOM 0 HZ3 LYS A 84 81.541 8.327 -9.772 1.00 2.15 H new ATOM 1010 N ASN A 85 75.547 5.877 -13.581 1.00 0.35 N ATOM 1011 CA ASN A 85 74.845 4.984 -14.497 1.00 0.36 C ATOM 1012 C ASN A 85 74.203 3.826 -13.736 1.00 0.33 C ATOM 1013 O ASN A 85 74.225 2.679 -14.184 1.00 0.35 O ATOM 1014 CB ASN A 85 75.811 4.452 -15.562 1.00 0.42 C ATOM 1015 CG ASN A 85 76.476 5.616 -16.289 1.00 0.43 C ATOM 1016 OD1 ASN A 85 75.817 6.603 -16.614 1.00 0.85 O ATOM 1017 ND2 ASN A 85 77.750 5.557 -16.565 1.00 0.94 N ATOM 0 H ASN A 85 75.200 6.836 -13.579 1.00 0.35 H new ATOM 0 HA ASN A 85 74.054 5.549 -14.991 1.00 0.36 H new ATOM 0 HB2 ASN A 85 76.569 3.823 -15.096 1.00 0.42 H new ATOM 0 HB3 ASN A 85 75.272 3.827 -16.274 1.00 0.42 H new ATOM 0 HD21 ASN A 85 78.203 6.331 -17.052 1.00 0.94 H new ATOM 0 HD22 ASN A 85 78.293 4.737 -16.294 1.00 0.94 H new ATOM 1024 N VAL A 86 73.621 4.135 -12.580 1.00 0.30 N ATOM 1025 CA VAL A 86 72.926 3.123 -11.791 1.00 0.26 C ATOM 1026 C VAL A 86 71.426 3.199 -12.066 1.00 0.23 C ATOM 1027 O VAL A 86 70.864 4.289 -12.169 1.00 0.26 O ATOM 1028 CB VAL A 86 73.195 3.344 -10.297 1.00 0.26 C ATOM 1029 CG1 VAL A 86 72.522 2.241 -9.474 1.00 0.24 C ATOM 1030 CG2 VAL A 86 74.704 3.305 -10.034 1.00 0.30 C ATOM 0 H VAL A 86 73.617 5.070 -12.172 1.00 0.30 H new ATOM 0 HA VAL A 86 73.294 2.136 -12.073 1.00 0.26 H new ATOM 0 HB VAL A 86 72.791 4.314 -10.008 1.00 0.26 H new ATOM 0 HG11 VAL A 86 72.718 2.406 -8.415 1.00 0.24 H new ATOM 0 HG12 VAL A 86 71.447 2.260 -9.651 1.00 0.24 H new ATOM 0 HG13 VAL A 86 72.921 1.271 -9.770 1.00 0.24 H new ATOM 0 HG21 VAL A 86 74.892 3.462 -8.972 1.00 0.30 H new ATOM 0 HG22 VAL A 86 75.101 2.335 -10.333 1.00 0.30 H new ATOM 0 HG23 VAL A 86 75.194 4.090 -10.610 1.00 0.30 H new ATOM 1040 N LYS A 87 70.783 2.040 -12.181 1.00 0.21 N ATOM 1041 CA LYS A 87 69.354 2.008 -12.472 1.00 0.23 C ATOM 1042 C LYS A 87 68.574 2.561 -11.284 1.00 0.21 C ATOM 1043 O LYS A 87 68.817 2.175 -10.143 1.00 0.23 O ATOM 1044 CB LYS A 87 68.905 0.575 -12.767 1.00 0.24 C ATOM 1045 CG LYS A 87 67.450 0.581 -13.239 1.00 0.30 C ATOM 1046 CD LYS A 87 66.977 -0.858 -13.454 1.00 0.86 C ATOM 1047 CE LYS A 87 65.580 -0.849 -14.079 1.00 1.03 C ATOM 1048 NZ LYS A 87 64.560 -0.660 -13.010 1.00 1.92 N ATOM 0 H LYS A 87 71.221 1.124 -12.079 1.00 0.21 H new ATOM 0 HA LYS A 87 69.159 2.624 -13.350 1.00 0.23 H new ATOM 0 HB2 LYS A 87 69.544 0.133 -13.531 1.00 0.24 H new ATOM 0 HB3 LYS A 87 69.005 -0.040 -11.873 1.00 0.24 H new ATOM 0 HG2 LYS A 87 66.819 1.076 -12.501 1.00 0.30 H new ATOM 0 HG3 LYS A 87 67.360 1.147 -14.166 1.00 0.30 H new ATOM 0 HD2 LYS A 87 67.674 -1.388 -14.103 1.00 0.86 H new ATOM 0 HD3 LYS A 87 66.958 -1.392 -12.504 1.00 0.86 H new ATOM 0 HE2 LYS A 87 65.504 -0.048 -14.815 1.00 1.03 H new ATOM 0 HE3 LYS A 87 65.400 -1.785 -14.607 1.00 1.03 H new ATOM 0 HZ1 LYS A 87 63.937 -1.492 -12.974 1.00 1.92 H new ATOM 0 HZ2 LYS A 87 65.036 -0.544 -12.093 1.00 1.92 H new ATOM 0 HZ3 LYS A 87 63.994 0.188 -13.216 1.00 1.92 H new ATOM 1062 N VAL A 88 67.613 3.441 -11.556 1.00 0.22 N ATOM 1063 CA VAL A 88 66.848 4.079 -10.485 1.00 0.20 C ATOM 1064 C VAL A 88 65.352 3.896 -10.721 1.00 0.21 C ATOM 1065 O VAL A 88 64.851 4.124 -11.822 1.00 0.25 O ATOM 1066 CB VAL A 88 67.185 5.575 -10.410 1.00 0.24 C ATOM 1067 CG1 VAL A 88 66.457 6.216 -9.224 1.00 0.24 C ATOM 1068 CG2 VAL A 88 68.694 5.757 -10.222 1.00 0.26 C ATOM 0 H VAL A 88 67.347 3.727 -12.498 1.00 0.22 H new ATOM 0 HA VAL A 88 67.117 3.607 -9.540 1.00 0.20 H new ATOM 0 HB VAL A 88 66.867 6.053 -11.337 1.00 0.24 H new ATOM 0 HG11 VAL A 88 66.701 7.277 -9.178 1.00 0.24 H new ATOM 0 HG12 VAL A 88 65.381 6.096 -9.350 1.00 0.24 H new ATOM 0 HG13 VAL A 88 66.770 5.731 -8.300 1.00 0.24 H new ATOM 0 HG21 VAL A 88 68.928 6.820 -10.169 1.00 0.26 H new ATOM 0 HG22 VAL A 88 69.007 5.270 -9.298 1.00 0.26 H new ATOM 0 HG23 VAL A 88 69.222 5.310 -11.064 1.00 0.26 H new ATOM 1078 N VAL A 89 64.648 3.480 -9.672 1.00 0.19 N ATOM 1079 CA VAL A 89 63.198 3.295 -9.749 1.00 0.22 C ATOM 1080 C VAL A 89 62.514 4.168 -8.704 1.00 0.22 C ATOM 1081 O VAL A 89 62.908 4.164 -7.541 1.00 0.19 O ATOM 1082 CB VAL A 89 62.821 1.832 -9.481 1.00 0.24 C ATOM 1083 CG1 VAL A 89 61.326 1.639 -9.741 1.00 0.21 C ATOM 1084 CG2 VAL A 89 63.619 0.893 -10.393 1.00 0.30 C ATOM 0 H VAL A 89 65.054 3.265 -8.761 1.00 0.19 H new ATOM 0 HA VAL A 89 62.873 3.574 -10.751 1.00 0.22 H new ATOM 0 HB VAL A 89 63.054 1.595 -8.443 1.00 0.24 H new ATOM 0 HG11 VAL A 89 61.055 0.600 -9.551 1.00 0.21 H new ATOM 0 HG12 VAL A 89 60.755 2.290 -9.079 1.00 0.21 H new ATOM 0 HG13 VAL A 89 61.102 1.889 -10.778 1.00 0.21 H new ATOM 0 HG21 VAL A 89 63.337 -0.140 -10.188 1.00 0.30 H new ATOM 0 HG22 VAL A 89 63.403 1.128 -11.435 1.00 0.30 H new ATOM 0 HG23 VAL A 89 64.685 1.023 -10.205 1.00 0.30 H new ATOM 1094 N GLY A 90 61.482 4.902 -9.111 1.00 0.27 N ATOM 1095 CA GLY A 90 60.739 5.738 -8.170 1.00 0.30 C ATOM 1096 C GLY A 90 59.363 5.145 -7.886 1.00 0.50 C ATOM 1097 O GLY A 90 58.614 4.824 -8.808 1.00 0.73 O ATOM 0 H GLY A 90 61.144 4.936 -10.073 1.00 0.27 H new ATOM 0 HA2 GLY A 90 61.299 5.831 -7.239 1.00 0.30 H new ATOM 0 HA3 GLY A 90 60.629 6.743 -8.578 1.00 0.30 H new ATOM 1101 N GLU A 91 59.037 5.000 -6.605 1.00 0.55 N ATOM 1102 CA GLU A 91 57.721 4.503 -6.219 1.00 0.91 C ATOM 1103 C GLU A 91 57.346 5.013 -4.824 1.00 1.23 C ATOM 1104 O GLU A 91 57.487 4.281 -3.842 1.00 1.39 O ATOM 1105 CB GLU A 91 57.709 2.972 -6.249 1.00 1.05 C ATOM 1106 CG GLU A 91 57.482 2.489 -7.682 1.00 1.70 C ATOM 1107 CD GLU A 91 56.947 1.061 -7.673 1.00 2.42 C ATOM 1108 OE1 GLU A 91 57.603 0.207 -7.099 1.00 2.75 O ATOM 1109 OE2 GLU A 91 55.890 0.841 -8.240 1.00 3.17 O ATOM 0 H GLU A 91 59.658 5.217 -5.825 1.00 0.55 H new ATOM 0 HA GLU A 91 56.983 4.874 -6.931 1.00 0.91 H new ATOM 0 HB2 GLU A 91 58.654 2.583 -5.869 1.00 1.05 H new ATOM 0 HB3 GLU A 91 56.922 2.592 -5.597 1.00 1.05 H new ATOM 0 HG2 GLU A 91 56.776 3.147 -8.189 1.00 1.70 H new ATOM 0 HG3 GLU A 91 58.417 2.532 -8.241 1.00 1.70 H new ATOM 1116 N PRO A 92 56.887 6.244 -4.699 1.00 1.61 N ATOM 1117 CA PRO A 92 56.502 6.800 -3.366 1.00 2.06 C ATOM 1118 C PRO A 92 55.414 5.952 -2.695 1.00 2.32 C ATOM 1119 O PRO A 92 54.588 5.364 -3.395 1.00 2.43 O ATOM 1120 CB PRO A 92 55.999 8.219 -3.659 1.00 2.48 C ATOM 1121 CG PRO A 92 55.720 8.257 -5.123 1.00 2.52 C ATOM 1122 CD PRO A 92 56.662 7.242 -5.765 1.00 1.91 C ATOM 0 HA PRO A 92 57.342 6.800 -2.671 1.00 2.06 H new ATOM 0 HB2 PRO A 92 55.100 8.442 -3.084 1.00 2.48 H new ATOM 0 HB3 PRO A 92 56.746 8.963 -3.384 1.00 2.48 H new ATOM 0 HG2 PRO A 92 54.679 8.005 -5.327 1.00 2.52 H new ATOM 0 HG3 PRO A 92 55.891 9.255 -5.526 1.00 2.52 H new ATOM 0 HD2 PRO A 92 56.217 6.788 -6.650 1.00 1.91 H new ATOM 0 HD3 PRO A 92 57.596 7.707 -6.081 1.00 1.91 H new ATOM 1130 N PRO A 93 55.381 5.870 -1.380 1.00 2.69 N ATOM 1131 CA PRO A 93 54.348 5.044 -0.676 1.00 3.14 C ATOM 1132 C PRO A 93 52.932 5.414 -1.106 1.00 3.58 C ATOM 1133 O PRO A 93 52.645 6.577 -1.393 1.00 3.80 O ATOM 1134 CB PRO A 93 54.561 5.362 0.805 1.00 3.64 C ATOM 1135 CG PRO A 93 55.986 5.780 0.899 1.00 3.48 C ATOM 1136 CD PRO A 93 56.276 6.523 -0.401 1.00 3.00 C ATOM 0 HA PRO A 93 54.453 3.984 -0.905 1.00 3.14 H new ATOM 0 HB2 PRO A 93 53.893 6.155 1.140 1.00 3.64 H new ATOM 0 HB3 PRO A 93 54.361 4.492 1.430 1.00 3.64 H new ATOM 0 HG2 PRO A 93 56.151 6.422 1.764 1.00 3.48 H new ATOM 0 HG3 PRO A 93 56.642 4.917 1.013 1.00 3.48 H new ATOM 0 HD2 PRO A 93 56.063 7.588 -0.311 1.00 3.00 H new ATOM 0 HD3 PRO A 93 57.323 6.431 -0.691 1.00 3.00 H new ATOM 1144 N GLU A 94 52.051 4.421 -1.149 1.00 3.96 N ATOM 1145 CA GLU A 94 50.668 4.657 -1.545 1.00 4.59 C ATOM 1146 C GLU A 94 49.781 4.826 -0.315 1.00 5.38 C ATOM 1147 O GLU A 94 49.862 4.045 0.632 1.00 5.70 O ATOM 1148 CB GLU A 94 50.158 3.486 -2.386 1.00 5.02 C ATOM 1149 CG GLU A 94 48.775 3.826 -2.955 1.00 5.18 C ATOM 1150 CD GLU A 94 48.170 2.652 -3.733 1.00 5.24 C ATOM 1151 OE1 GLU A 94 48.788 1.599 -3.807 1.00 5.22 O ATOM 1152 OE2 GLU A 94 47.080 2.826 -4.253 1.00 5.65 O ATOM 0 H GLU A 94 52.267 3.452 -0.916 1.00 3.96 H new ATOM 0 HA GLU A 94 50.630 5.572 -2.136 1.00 4.59 H new ATOM 0 HB2 GLU A 94 50.855 3.277 -3.198 1.00 5.02 H new ATOM 0 HB3 GLU A 94 50.100 2.585 -1.776 1.00 5.02 H new ATOM 0 HG2 GLU A 94 48.106 4.104 -2.140 1.00 5.18 H new ATOM 0 HG3 GLU A 94 48.856 4.693 -3.611 1.00 5.18 H new ATOM 1159 N GLU A 95 48.936 5.853 -0.339 1.00 5.92 N ATOM 1160 CA GLU A 95 48.038 6.128 0.778 1.00 6.87 C ATOM 1161 C GLU A 95 46.611 6.368 0.271 1.00 7.76 C ATOM 1162 O GLU A 95 46.204 7.520 0.103 1.00 7.83 O ATOM 1163 CB GLU A 95 48.535 7.354 1.551 1.00 7.16 C ATOM 1164 CG GLU A 95 47.668 7.563 2.794 1.00 7.33 C ATOM 1165 CD GLU A 95 47.997 8.906 3.439 1.00 7.47 C ATOM 1166 OE1 GLU A 95 47.983 9.900 2.731 1.00 7.52 O ATOM 1167 OE2 GLU A 95 48.257 8.920 4.630 1.00 7.76 O ATOM 0 H GLU A 95 48.854 6.507 -1.118 1.00 5.92 H new ATOM 0 HA GLU A 95 48.028 5.264 1.443 1.00 6.87 H new ATOM 0 HB2 GLU A 95 49.577 7.216 1.841 1.00 7.16 H new ATOM 0 HB3 GLU A 95 48.496 8.238 0.915 1.00 7.16 H new ATOM 0 HG2 GLU A 95 46.613 7.530 2.522 1.00 7.33 H new ATOM 0 HG3 GLU A 95 47.839 6.756 3.507 1.00 7.33 H new ATOM 1174 N PRO A 96 45.846 5.325 0.011 1.00 8.63 N ATOM 1175 CA PRO A 96 44.448 5.496 -0.495 1.00 9.67 C ATOM 1176 C PRO A 96 43.617 6.389 0.423 1.00 10.08 C ATOM 1177 O PRO A 96 43.608 6.208 1.641 1.00 10.26 O ATOM 1178 CB PRO A 96 43.877 4.075 -0.535 1.00 10.57 C ATOM 1179 CG PRO A 96 45.061 3.173 -0.595 1.00 10.13 C ATOM 1180 CD PRO A 96 46.185 3.892 0.146 1.00 8.93 C ATOM 0 HA PRO A 96 44.430 5.984 -1.470 1.00 9.67 H new ATOM 0 HB2 PRO A 96 43.272 3.870 0.348 1.00 10.57 H new ATOM 0 HB3 PRO A 96 43.232 3.935 -1.403 1.00 10.57 H new ATOM 0 HG2 PRO A 96 44.841 2.212 -0.130 1.00 10.13 H new ATOM 0 HG3 PRO A 96 45.344 2.970 -1.628 1.00 10.13 H new ATOM 0 HD2 PRO A 96 46.230 3.590 1.192 1.00 8.93 H new ATOM 0 HD3 PRO A 96 47.158 3.669 -0.292 1.00 8.93 H new ATOM 1188 N LEU A 97 42.919 7.350 -0.172 1.00 10.45 N ATOM 1189 CA LEU A 97 42.097 8.280 0.597 1.00 11.04 C ATOM 1190 C LEU A 97 40.837 7.602 1.130 1.00 11.89 C ATOM 1191 O LEU A 97 40.392 7.894 2.241 1.00 12.08 O ATOM 1192 CB LEU A 97 41.701 9.470 -0.282 1.00 11.40 C ATOM 1193 CG LEU A 97 42.954 10.168 -0.816 1.00 11.56 C ATOM 1194 CD1 LEU A 97 42.543 11.287 -1.774 1.00 11.71 C ATOM 1195 CD2 LEU A 97 43.747 10.771 0.345 1.00 11.77 C ATOM 0 H LEU A 97 42.905 7.506 -1.180 1.00 10.45 H new ATOM 0 HA LEU A 97 42.686 8.624 1.447 1.00 11.04 H new ATOM 0 HB2 LEU A 97 41.083 9.129 -1.113 1.00 11.40 H new ATOM 0 HB3 LEU A 97 41.100 10.174 0.294 1.00 11.40 H new ATOM 0 HG LEU A 97 43.573 9.439 -1.340 1.00 11.56 H new ATOM 0 HD11 LEU A 97 43.434 11.785 -2.155 1.00 11.71 H new ATOM 0 HD12 LEU A 97 41.979 10.865 -2.606 1.00 11.71 H new ATOM 0 HD13 LEU A 97 41.922 12.010 -1.244 1.00 11.71 H new ATOM 0 HD21 LEU A 97 44.638 11.266 -0.041 1.00 11.77 H new ATOM 0 HD22 LEU A 97 43.127 11.497 0.871 1.00 11.77 H new ATOM 0 HD23 LEU A 97 44.042 9.980 1.034 1.00 11.77 H new ATOM 1207 N GLU A 98 40.265 6.700 0.339 1.00 12.53 N ATOM 1208 CA GLU A 98 38.999 6.073 0.702 1.00 13.52 C ATOM 1209 C GLU A 98 39.093 5.363 2.049 1.00 13.93 C ATOM 1210 O GLU A 98 38.151 5.396 2.840 1.00 14.01 O ATOM 1211 CB GLU A 98 38.592 5.066 -0.375 1.00 14.19 C ATOM 1212 CG GLU A 98 37.179 4.546 -0.085 1.00 14.28 C ATOM 1213 CD GLU A 98 36.752 3.460 -1.080 1.00 13.85 C ATOM 1214 OE1 GLU A 98 37.535 3.100 -1.948 1.00 13.51 O ATOM 1215 OE2 GLU A 98 35.630 2.998 -0.956 1.00 14.00 O ATOM 0 H GLU A 98 40.654 6.389 -0.551 1.00 12.53 H new ATOM 0 HA GLU A 98 38.248 6.859 0.781 1.00 13.52 H new ATOM 0 HB2 GLU A 98 38.623 5.537 -1.358 1.00 14.19 H new ATOM 0 HB3 GLU A 98 39.298 4.236 -0.397 1.00 14.19 H new ATOM 0 HG2 GLU A 98 37.141 4.145 0.928 1.00 14.28 H new ATOM 0 HG3 GLU A 98 36.472 5.374 -0.127 1.00 14.28 H new ATOM 1222 N HIS A 99 40.230 4.724 2.308 1.00 14.35 N ATOM 1223 CA HIS A 99 40.411 3.994 3.558 1.00 14.94 C ATOM 1224 C HIS A 99 40.322 4.932 4.757 1.00 15.25 C ATOM 1225 O HIS A 99 39.621 4.647 5.728 1.00 15.32 O ATOM 1226 CB HIS A 99 41.767 3.286 3.557 1.00 15.27 C ATOM 1227 CG HIS A 99 41.794 2.051 2.697 1.00 15.50 C ATOM 1228 ND1 HIS A 99 41.732 2.110 1.314 1.00 15.48 N ATOM 1229 CD2 HIS A 99 41.881 0.716 3.012 1.00 15.95 C ATOM 1230 CE1 HIS A 99 41.784 0.848 0.851 1.00 15.90 C ATOM 1231 NE2 HIS A 99 41.874 -0.041 1.844 1.00 16.20 N ATOM 0 H HIS A 99 41.031 4.696 1.677 1.00 14.35 H new ATOM 0 HA HIS A 99 39.614 3.255 3.639 1.00 14.94 H new ATOM 0 HB2 HIS A 99 42.531 3.980 3.207 1.00 15.27 H new ATOM 0 HB3 HIS A 99 42.028 3.014 4.580 1.00 15.27 H new ATOM 0 HD2 HIS A 99 41.945 0.316 4.013 1.00 15.95 H new ATOM 0 HE1 HIS A 99 41.756 0.585 -0.196 1.00 15.90 H new ATOM 0 HE2 HIS A 99 41.926 -1.056 1.764 1.00 16.20 H new ATOM 1239 N HIS A 100 41.037 6.050 4.686 1.00 15.60 N ATOM 1240 CA HIS A 100 41.028 7.020 5.775 1.00 16.10 C ATOM 1241 C HIS A 100 39.629 7.589 5.990 1.00 16.21 C ATOM 1242 O HIS A 100 38.874 7.785 5.037 1.00 16.29 O ATOM 1243 CB HIS A 100 42.005 8.157 5.470 1.00 16.57 C ATOM 1244 CG HIS A 100 43.448 7.748 5.590 1.00 16.76 C ATOM 1245 ND1 HIS A 100 44.136 7.145 4.550 1.00 17.19 N ATOM 1246 CD2 HIS A 100 44.346 7.843 6.627 1.00 16.75 C ATOM 1247 CE1 HIS A 100 45.387 6.901 4.977 1.00 17.42 C ATOM 1248 NE2 HIS A 100 45.570 7.307 6.236 1.00 17.17 N ATOM 0 H HIS A 100 41.625 6.306 3.893 1.00 15.60 H new ATOM 0 HA HIS A 100 41.336 6.509 6.687 1.00 16.10 H new ATOM 0 HB2 HIS A 100 41.821 8.524 4.460 1.00 16.57 H new ATOM 0 HB3 HIS A 100 41.811 8.986 6.151 1.00 16.57 H new ATOM 0 HD1 HIS A 100 43.761 6.926 3.627 1.00 17.19 H new ATOM 0 HD2 HIS A 100 44.134 8.268 7.597 1.00 16.75 H new ATOM 0 HE1 HIS A 100 46.152 6.433 4.375 1.00 17.42 H new ATOM 1256 N HIS A 101 39.292 7.848 7.249 1.00 16.36 N ATOM 1257 CA HIS A 101 38.001 8.451 7.578 1.00 16.65 C ATOM 1258 C HIS A 101 38.060 9.982 7.563 1.00 16.91 C ATOM 1259 O HIS A 101 37.049 10.640 7.323 1.00 17.14 O ATOM 1260 CB HIS A 101 37.545 7.974 8.958 1.00 16.80 C ATOM 1261 CG HIS A 101 37.266 6.497 9.019 1.00 17.13 C ATOM 1262 ND1 HIS A 101 38.234 5.577 9.384 1.00 17.44 N ATOM 1263 CD2 HIS A 101 36.131 5.767 8.765 1.00 17.35 C ATOM 1264 CE1 HIS A 101 37.672 4.356 9.338 1.00 17.82 C ATOM 1265 NE2 HIS A 101 36.390 4.413 8.967 1.00 17.79 N ATOM 0 H HIS A 101 39.888 7.653 8.054 1.00 16.36 H new ATOM 0 HA HIS A 101 37.289 8.137 6.815 1.00 16.65 H new ATOM 0 HB2 HIS A 101 38.312 8.222 9.691 1.00 16.80 H new ATOM 0 HB3 HIS A 101 36.645 8.518 9.243 1.00 16.80 H new ATOM 0 HD2 HIS A 101 35.182 6.180 8.456 1.00 17.35 H new ATOM 0 HE1 HIS A 101 38.194 3.440 9.573 1.00 17.82 H new ATOM 0 HE2 HIS A 101 35.741 3.634 8.856 1.00 17.79 H new ATOM 1273 N HIS A 102 39.238 10.548 7.825 1.00 17.03 N ATOM 1274 CA HIS A 102 39.397 11.998 7.849 1.00 17.46 C ATOM 1275 C HIS A 102 38.940 12.637 6.538 1.00 17.73 C ATOM 1276 O HIS A 102 38.416 13.751 6.535 1.00 18.10 O ATOM 1277 CB HIS A 102 40.863 12.353 8.102 1.00 17.62 C ATOM 1278 CG HIS A 102 41.367 11.894 9.443 1.00 17.77 C ATOM 1279 ND1 HIS A 102 41.974 10.661 9.621 1.00 17.75 N ATOM 1280 CD2 HIS A 102 41.362 12.492 10.680 1.00 18.09 C ATOM 1281 CE1 HIS A 102 42.307 10.556 10.921 1.00 18.05 C ATOM 1282 NE2 HIS A 102 41.956 11.644 11.612 1.00 18.27 N ATOM 0 H HIS A 102 40.091 10.025 8.023 1.00 17.03 H new ATOM 0 HA HIS A 102 38.773 12.388 8.653 1.00 17.46 H new ATOM 0 HB2 HIS A 102 41.477 11.907 7.320 1.00 17.62 H new ATOM 0 HB3 HIS A 102 40.986 13.433 8.027 1.00 17.62 H new ATOM 0 HD2 HIS A 102 40.959 13.470 10.897 1.00 18.09 H new ATOM 0 HE1 HIS A 102 42.798 9.697 11.353 1.00 18.05 H new ATOM 0 HE2 HIS A 102 42.093 11.817 12.608 1.00 18.27 H new ATOM 1290 N HIS A 103 39.140 11.935 5.426 1.00 17.69 N ATOM 1291 CA HIS A 103 38.773 12.473 4.118 1.00 18.12 C ATOM 1292 C HIS A 103 37.298 12.876 4.069 1.00 18.52 C ATOM 1293 O HIS A 103 36.936 13.828 3.378 1.00 18.82 O ATOM 1294 CB HIS A 103 39.048 11.430 3.034 1.00 18.07 C ATOM 1295 CG HIS A 103 38.802 11.938 1.639 1.00 18.13 C ATOM 1296 ND1 HIS A 103 39.578 12.932 1.066 1.00 18.35 N ATOM 1297 CD2 HIS A 103 37.868 11.599 0.691 1.00 18.15 C ATOM 1298 CE1 HIS A 103 39.105 13.155 -0.172 1.00 18.49 C ATOM 1299 NE2 HIS A 103 38.061 12.370 -0.453 1.00 18.38 N ATOM 0 H HIS A 103 39.550 11.001 5.403 1.00 17.69 H new ATOM 0 HA HIS A 103 39.377 13.364 3.943 1.00 18.12 H new ATOM 0 HB2 HIS A 103 40.083 11.098 3.114 1.00 18.07 H new ATOM 0 HB3 HIS A 103 38.419 10.558 3.211 1.00 18.07 H new ATOM 0 HD2 HIS A 103 37.101 10.849 0.814 1.00 18.15 H new ATOM 0 HE1 HIS A 103 39.519 13.881 -0.857 1.00 18.49 H new ATOM 0 HE2 HIS A 103 37.522 12.341 -1.318 1.00 18.38 H new ATOM 1307 N HIS A 104 36.450 12.156 4.800 1.00 18.68 N ATOM 1308 CA HIS A 104 35.027 12.471 4.832 1.00 19.22 C ATOM 1309 C HIS A 104 34.417 12.062 6.168 1.00 19.40 C ATOM 1310 O HIS A 104 33.827 12.913 6.814 1.00 19.63 O ATOM 1311 CB HIS A 104 34.304 11.745 3.696 1.00 19.83 C ATOM 1312 CG HIS A 104 32.852 12.120 3.574 1.00 20.24 C ATOM 1313 ND1 HIS A 104 32.446 13.391 3.202 1.00 20.20 N ATOM 1314 CD2 HIS A 104 31.699 11.401 3.773 1.00 20.83 C ATOM 1315 CE1 HIS A 104 31.101 13.400 3.188 1.00 20.75 C ATOM 1316 NE2 HIS A 104 30.594 12.213 3.528 1.00 21.15 N ATOM 1317 OXT HIS A 104 34.550 10.904 6.528 1.00 19.42 O ATOM 0 H HIS A 104 36.722 11.357 5.373 1.00 18.68 H new ATOM 0 HA HIS A 104 34.911 13.548 4.707 1.00 19.22 H new ATOM 0 HB2 HIS A 104 34.808 11.965 2.755 1.00 19.83 H new ATOM 0 HB3 HIS A 104 34.381 10.669 3.855 1.00 19.83 H new ATOM 0 HD2 HIS A 104 31.656 10.365 4.073 1.00 20.83 H new ATOM 0 HE1 HIS A 104 30.504 14.263 2.933 1.00 20.75 H new ATOM 0 HE2 HIS A 104 29.609 11.956 3.594 1.00 21.15 H new TER 1325 HIS A 104