USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 713 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 118 MET CE :methyl -126:sc= -0.412 (180deg=-2.49!) USER MOD Set 1.2: A 138 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 165 HIS : no HD1:sc= -2.41 K(o=-2.8,f=-1.6) USER MOD Single : A 90 SER OG : rot 23:sc= 1.13 USER MOD Single : A 92 ASN : amide:sc= -0.0864 X(o=-0.086,f=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot -131:sc= 0.0351 USER MOD Single : A 99 THR OG1 : rot 172:sc= -0.248 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 CYS SG : rot 137:sc= -0.935 USER MOD Single : A 123 ASN : amide:sc= -0.13 K(o=-0.13,f=-6!) USER MOD Single : A 125 GLN : amide:sc= -0.0325 X(o=-0.032,f=-0.032) USER MOD Single : A 126 LYS NZ :NH3+ 162:sc= -0.0161 (180deg=-0.155) USER MOD Single : A 127 MET CE :methyl -120:sc= -1.64 (180deg=-4.96) USER MOD Single : A 129 THR OG1 : rot 180:sc= 0 USER MOD Single : A 140 THR OG1 : rot 68:sc= 1.2 USER MOD Single : A 141 HIS : no HE2:sc= -0.612 X(o=-0.61,f=-1.1) USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD Single : A 146 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 147 HIS : no HD1:sc= -1.64! K(o=-1.6!,f=-0.18) USER MOD Single : A 149 CYS SG : rot 87:sc= -0.776 USER MOD Single : A 150 TYR OH : rot 180:sc= -0.24 USER MOD Single : A 152 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 SER OG : rot 180:sc= -0.0153 USER MOD Single : A 156 SER OG : rot 180:sc= 0 USER MOD Single : A 158 LYS NZ :NH3+ 159:sc= -0.0613 (180deg=-0.461) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 166 THR OG1 : rot 40:sc= 0.655 USER MOD Single : A 171 ASN : amide:sc= -0.0763 X(o=-0.076,f=0) USER MOD Single : A 178 THR OG1 : rot 180:sc= 0 USER MOD Single : A 179 GLN : amide:sc= -0.0223 X(o=-0.022,f=-0.48) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 86 18.245 1.100 3.448 1.00 33.20 N ATOM 2 CA GLY A 86 19.147 2.192 3.131 1.00 14.51 C ATOM 3 C GLY A 86 19.730 2.078 1.738 1.00 74.15 C ATOM 4 O GLY A 86 20.921 1.827 1.558 1.00 24.34 O ATOM 0 HA2 GLY A 86 18.613 3.138 3.221 1.00 14.51 H new ATOM 0 HA3 GLY A 86 19.957 2.213 3.860 1.00 14.51 H new ATOM 8 N PRO A 87 18.878 2.262 0.718 1.00 53.21 N ATOM 9 CA PRO A 87 19.292 2.182 -0.685 1.00 61.11 C ATOM 10 C PRO A 87 20.186 3.348 -1.093 1.00 4.30 C ATOM 11 O PRO A 87 20.216 4.384 -0.427 1.00 74.33 O ATOM 12 CB PRO A 87 17.968 2.231 -1.450 1.00 74.32 C ATOM 13 CG PRO A 87 17.029 2.942 -0.538 1.00 12.32 C ATOM 14 CD PRO A 87 17.443 2.565 0.858 1.00 42.13 C ATOM 0 HA PRO A 87 19.882 1.288 -0.885 1.00 61.11 H new ATOM 0 HB2 PRO A 87 18.077 2.760 -2.397 1.00 74.32 H new ATOM 0 HB3 PRO A 87 17.609 1.229 -1.685 1.00 74.32 H new ATOM 0 HG2 PRO A 87 17.085 4.021 -0.684 1.00 12.32 H new ATOM 0 HG3 PRO A 87 15.998 2.647 -0.732 1.00 12.32 H new ATOM 0 HD2 PRO A 87 17.271 3.379 1.562 1.00 42.13 H new ATOM 0 HD3 PRO A 87 16.884 1.704 1.224 1.00 42.13 H new ATOM 22 N LEU A 88 20.914 3.174 -2.191 1.00 32.44 N ATOM 23 CA LEU A 88 21.810 4.212 -2.689 1.00 12.22 C ATOM 24 C LEU A 88 22.211 3.938 -4.134 1.00 65.22 C ATOM 25 O LEU A 88 22.674 2.846 -4.464 1.00 51.51 O ATOM 26 CB LEU A 88 23.057 4.303 -1.808 1.00 65.23 C ATOM 27 CG LEU A 88 23.117 5.493 -0.849 1.00 63.33 C ATOM 28 CD1 LEU A 88 23.384 5.021 0.571 1.00 63.51 C ATOM 29 CD2 LEU A 88 24.186 6.481 -1.294 1.00 11.41 C ATOM 0 H LEU A 88 20.901 2.323 -2.754 1.00 32.44 H new ATOM 0 HA LEU A 88 21.279 5.163 -2.654 1.00 12.22 H new ATOM 0 HB2 LEU A 88 23.131 3.386 -1.223 1.00 65.23 H new ATOM 0 HB3 LEU A 88 23.933 4.340 -2.456 1.00 65.23 H new ATOM 0 HG LEU A 88 22.152 5.999 -0.866 1.00 63.33 H new ATOM 0 HD11 LEU A 88 23.423 5.881 1.239 1.00 63.51 H new ATOM 0 HD12 LEU A 88 22.585 4.351 0.888 1.00 63.51 H new ATOM 0 HD13 LEU A 88 24.336 4.491 0.605 1.00 63.51 H new ATOM 0 HD21 LEU A 88 24.216 7.322 -0.601 1.00 11.41 H new ATOM 0 HD22 LEU A 88 25.157 5.986 -1.305 1.00 11.41 H new ATOM 0 HD23 LEU A 88 23.952 6.844 -2.295 1.00 11.41 H new ATOM 41 N GLY A 89 22.035 4.938 -4.992 1.00 52.24 N ATOM 42 CA GLY A 89 22.386 4.785 -6.392 1.00 2.02 C ATOM 43 C GLY A 89 21.611 5.728 -7.290 1.00 72.45 C ATOM 44 O GLY A 89 21.060 6.726 -6.827 1.00 22.13 O ATOM 0 H GLY A 89 21.656 5.851 -4.743 1.00 52.24 H new ATOM 0 HA2 GLY A 89 23.454 4.964 -6.517 1.00 2.02 H new ATOM 0 HA3 GLY A 89 22.197 3.757 -6.701 1.00 2.02 H new ATOM 48 N SER A 90 21.570 5.413 -8.581 1.00 63.21 N ATOM 49 CA SER A 90 20.862 6.243 -9.549 1.00 30.24 C ATOM 50 C SER A 90 20.630 5.482 -10.851 1.00 32.33 C ATOM 51 O SER A 90 21.046 5.922 -11.922 1.00 13.35 O ATOM 52 CB SER A 90 21.649 7.524 -9.827 1.00 11.35 C ATOM 53 OG SER A 90 21.418 8.494 -8.820 1.00 54.53 O ATOM 0 H SER A 90 22.019 4.589 -8.981 1.00 63.21 H new ATOM 0 HA SER A 90 19.893 6.506 -9.125 1.00 30.24 H new ATOM 0 HB2 SER A 90 22.714 7.296 -9.879 1.00 11.35 H new ATOM 0 HB3 SER A 90 21.361 7.928 -10.798 1.00 11.35 H new ATOM 0 HG SER A 90 21.114 8.050 -8.001 1.00 54.53 H new ATOM 59 N GLU A 91 19.964 4.335 -10.749 1.00 13.50 N ATOM 60 CA GLU A 91 19.677 3.513 -11.918 1.00 51.32 C ATOM 61 C GLU A 91 18.273 2.921 -11.836 1.00 41.22 C ATOM 62 O GLU A 91 18.105 1.723 -11.614 1.00 42.15 O ATOM 63 CB GLU A 91 20.709 2.390 -12.043 1.00 54.45 C ATOM 64 CG GLU A 91 22.107 2.883 -12.379 1.00 10.21 C ATOM 65 CD GLU A 91 23.112 2.572 -11.287 1.00 52.24 C ATOM 66 OE1 GLU A 91 22.817 2.866 -10.110 1.00 2.04 O ATOM 67 OE2 GLU A 91 24.193 2.037 -11.610 1.00 22.24 O ATOM 0 H GLU A 91 19.614 3.955 -9.870 1.00 13.50 H new ATOM 0 HA GLU A 91 19.733 4.149 -12.801 1.00 51.32 H new ATOM 0 HB2 GLU A 91 20.744 1.834 -11.106 1.00 54.45 H new ATOM 0 HB3 GLU A 91 20.383 1.693 -12.815 1.00 54.45 H new ATOM 0 HG2 GLU A 91 22.436 2.425 -13.312 1.00 10.21 H new ATOM 0 HG3 GLU A 91 22.078 3.960 -12.546 1.00 10.21 H new ATOM 74 N ASN A 92 17.268 3.772 -12.016 1.00 33.11 N ATOM 75 CA ASN A 92 15.877 3.334 -11.961 1.00 65.41 C ATOM 76 C ASN A 92 14.954 4.376 -12.586 1.00 22.34 C ATOM 77 O ASN A 92 15.372 5.497 -12.874 1.00 44.45 O ATOM 78 CB ASN A 92 15.461 3.069 -10.513 1.00 52.03 C ATOM 79 CG ASN A 92 15.744 4.250 -9.605 1.00 3.00 C ATOM 80 OD1 ASN A 92 16.790 4.313 -8.958 1.00 44.14 O ATOM 81 ND2 ASN A 92 14.811 5.193 -9.552 1.00 10.54 N ATOM 0 H ASN A 92 17.390 4.768 -12.201 1.00 33.11 H new ATOM 0 HA ASN A 92 15.790 2.409 -12.531 1.00 65.41 H new ATOM 0 HB2 ASN A 92 14.397 2.836 -10.480 1.00 52.03 H new ATOM 0 HB3 ASN A 92 15.991 2.192 -10.140 1.00 52.03 H new ATOM 0 HD21 ASN A 92 14.946 6.011 -8.958 1.00 10.54 H new ATOM 0 HD22 ASN A 92 13.959 5.099 -10.105 1.00 10.54 H new ATOM 88 N ARG A 93 13.697 3.997 -12.791 1.00 11.22 N ATOM 89 CA ARG A 93 12.715 4.898 -13.381 1.00 54.30 C ATOM 90 C ARG A 93 11.312 4.582 -12.872 1.00 13.15 C ATOM 91 O ARG A 93 10.716 5.369 -12.136 1.00 55.43 O ATOM 92 CB ARG A 93 12.749 4.796 -14.907 1.00 12.32 C ATOM 93 CG ARG A 93 13.162 6.087 -15.594 1.00 41.32 C ATOM 94 CD ARG A 93 12.189 7.215 -15.292 1.00 15.34 C ATOM 95 NE ARG A 93 12.666 8.077 -14.213 1.00 61.33 N ATOM 96 CZ ARG A 93 13.560 9.044 -14.388 1.00 3.43 C ATOM 97 NH1 ARG A 93 14.070 9.272 -15.590 1.00 54.30 N ATOM 98 NH2 ARG A 93 13.945 9.786 -13.357 1.00 45.34 N ATOM 0 H ARG A 93 13.335 3.073 -12.557 1.00 11.22 H new ATOM 0 HA ARG A 93 12.970 5.916 -13.085 1.00 54.30 H new ATOM 0 HB2 ARG A 93 13.440 4.004 -15.195 1.00 12.32 H new ATOM 0 HB3 ARG A 93 11.762 4.503 -15.265 1.00 12.32 H new ATOM 0 HG2 ARG A 93 14.162 6.371 -15.267 1.00 41.32 H new ATOM 0 HG3 ARG A 93 13.212 5.927 -16.671 1.00 41.32 H new ATOM 0 HD2 ARG A 93 12.036 7.812 -16.191 1.00 15.34 H new ATOM 0 HD3 ARG A 93 11.221 6.795 -15.019 1.00 15.34 H new ATOM 0 HE ARG A 93 12.293 7.928 -13.275 1.00 61.33 H new ATOM 0 HH11 ARG A 93 13.776 8.704 -16.385 1.00 54.30 H new ATOM 0 HH12 ARG A 93 14.756 10.015 -15.720 1.00 54.30 H new ATOM 0 HH21 ARG A 93 13.554 9.614 -12.431 1.00 45.34 H new ATOM 0 HH22 ARG A 93 14.631 10.528 -13.491 1.00 45.34 H new ATOM 112 N SER A 94 10.790 3.426 -13.267 1.00 73.25 N ATOM 113 CA SER A 94 9.455 3.008 -12.854 1.00 24.41 C ATOM 114 C SER A 94 9.479 1.588 -12.296 1.00 45.42 C ATOM 115 O SER A 94 8.567 0.798 -12.536 1.00 71.50 O ATOM 116 CB SER A 94 8.485 3.087 -14.035 1.00 23.34 C ATOM 117 OG SER A 94 8.478 4.385 -14.603 1.00 4.00 O ATOM 0 H SER A 94 11.271 2.761 -13.873 1.00 73.25 H new ATOM 0 HA SER A 94 9.116 3.683 -12.068 1.00 24.41 H new ATOM 0 HB2 SER A 94 8.769 2.357 -14.793 1.00 23.34 H new ATOM 0 HB3 SER A 94 7.480 2.827 -13.702 1.00 23.34 H new ATOM 0 HG SER A 94 7.852 4.409 -15.357 1.00 4.00 H new ATOM 123 N LYS A 95 10.532 1.271 -11.549 1.00 1.30 N ATOM 124 CA LYS A 95 10.677 -0.052 -10.953 1.00 50.11 C ATOM 125 C LYS A 95 10.696 0.036 -9.431 1.00 22.33 C ATOM 126 O LYS A 95 10.257 -0.885 -8.740 1.00 0.53 O ATOM 127 CB LYS A 95 11.960 -0.720 -11.453 1.00 2.11 C ATOM 128 CG LYS A 95 11.726 -1.746 -12.547 1.00 72.11 C ATOM 129 CD LYS A 95 13.007 -2.480 -12.908 1.00 42.32 C ATOM 130 CE LYS A 95 13.501 -3.339 -11.754 1.00 40.23 C ATOM 131 NZ LYS A 95 13.944 -4.684 -12.214 1.00 10.32 N ATOM 0 H LYS A 95 11.297 1.913 -11.342 1.00 1.30 H new ATOM 0 HA LYS A 95 9.820 -0.655 -11.253 1.00 50.11 H new ATOM 0 HB2 LYS A 95 12.638 0.048 -11.826 1.00 2.11 H new ATOM 0 HB3 LYS A 95 12.458 -1.204 -10.613 1.00 2.11 H new ATOM 0 HG2 LYS A 95 10.975 -2.464 -12.219 1.00 72.11 H new ATOM 0 HG3 LYS A 95 11.328 -1.250 -13.432 1.00 72.11 H new ATOM 0 HD2 LYS A 95 12.834 -3.108 -13.782 1.00 42.32 H new ATOM 0 HD3 LYS A 95 13.777 -1.758 -13.181 1.00 42.32 H new ATOM 0 HE2 LYS A 95 14.329 -2.835 -11.255 1.00 40.23 H new ATOM 0 HE3 LYS A 95 12.705 -3.451 -11.018 1.00 40.23 H new ATOM 0 HZ1 LYS A 95 14.273 -5.239 -11.398 1.00 10.32 H new ATOM 0 HZ2 LYS A 95 13.148 -5.175 -12.668 1.00 10.32 H new ATOM 0 HZ3 LYS A 95 14.721 -4.579 -12.897 1.00 10.32 H new ATOM 145 N THR A 96 11.206 1.148 -8.912 1.00 65.04 N ATOM 146 CA THR A 96 11.283 1.356 -7.472 1.00 74.42 C ATOM 147 C THR A 96 10.069 2.125 -6.963 1.00 21.41 C ATOM 148 O THR A 96 10.190 3.003 -6.108 1.00 1.30 O ATOM 149 CB THR A 96 12.561 2.120 -7.081 1.00 70.11 C ATOM 150 OG1 THR A 96 12.573 3.409 -7.706 1.00 71.00 O ATOM 151 CG2 THR A 96 13.803 1.343 -7.490 1.00 22.35 C ATOM 0 H THR A 96 11.573 1.920 -9.469 1.00 65.04 H new ATOM 0 HA THR A 96 11.305 0.369 -7.011 1.00 74.42 H new ATOM 0 HB THR A 96 12.567 2.241 -5.998 1.00 70.11 H new ATOM 0 HG1 THR A 96 13.389 3.889 -7.451 1.00 71.00 H new ATOM 0 HG21 THR A 96 14.693 1.903 -7.203 1.00 22.35 H new ATOM 0 HG22 THR A 96 13.807 0.374 -6.990 1.00 22.35 H new ATOM 0 HG23 THR A 96 13.800 1.194 -8.570 1.00 22.35 H new ATOM 159 N THR A 97 8.896 1.789 -7.493 1.00 11.15 N ATOM 160 CA THR A 97 7.660 2.449 -7.092 1.00 41.13 C ATOM 161 C THR A 97 6.446 1.592 -7.430 1.00 34.22 C ATOM 162 O THR A 97 6.287 1.143 -8.564 1.00 74.34 O ATOM 163 CB THR A 97 7.510 3.822 -7.772 1.00 45.10 C ATOM 164 OG1 THR A 97 8.076 3.783 -9.087 1.00 33.23 O ATOM 165 CG2 THR A 97 8.192 4.909 -6.954 1.00 20.32 C ATOM 0 H THR A 97 8.777 1.064 -8.201 1.00 11.15 H new ATOM 0 HA THR A 97 7.713 2.591 -6.013 1.00 41.13 H new ATOM 0 HB THR A 97 6.447 4.053 -7.841 1.00 45.10 H new ATOM 0 HG1 THR A 97 7.975 4.660 -9.513 1.00 33.23 H new ATOM 0 HG21 THR A 97 8.073 5.870 -7.454 1.00 20.32 H new ATOM 0 HG22 THR A 97 7.739 4.957 -5.964 1.00 20.32 H new ATOM 0 HG23 THR A 97 9.253 4.680 -6.857 1.00 20.32 H new ATOM 173 N SER A 98 5.590 1.369 -6.437 1.00 33.53 N ATOM 174 CA SER A 98 4.390 0.563 -6.629 1.00 15.04 C ATOM 175 C SER A 98 3.145 1.443 -6.674 1.00 51.32 C ATOM 176 O SER A 98 3.111 2.523 -6.084 1.00 42.42 O ATOM 177 CB SER A 98 4.258 -0.469 -5.507 1.00 45.30 C ATOM 178 OG SER A 98 3.715 -1.684 -5.992 1.00 0.22 O ATOM 0 H SER A 98 5.705 1.735 -5.492 1.00 33.53 H new ATOM 0 HA SER A 98 4.481 0.043 -7.583 1.00 15.04 H new ATOM 0 HB2 SER A 98 5.236 -0.656 -5.064 1.00 45.30 H new ATOM 0 HB3 SER A 98 3.621 -0.072 -4.717 1.00 45.30 H new ATOM 0 HG SER A 98 2.979 -1.968 -5.411 1.00 0.22 H new ATOM 184 N THR A 99 2.121 0.973 -7.380 1.00 1.10 N ATOM 185 CA THR A 99 0.873 1.717 -7.506 1.00 5.35 C ATOM 186 C THR A 99 -0.332 0.789 -7.408 1.00 13.14 C ATOM 187 O THR A 99 -0.227 -0.409 -7.668 1.00 23.40 O ATOM 188 CB THR A 99 0.809 2.486 -8.838 1.00 44.31 C ATOM 189 OG1 THR A 99 1.646 1.850 -9.811 1.00 75.14 O ATOM 190 CG2 THR A 99 1.247 3.931 -8.652 1.00 64.02 C ATOM 0 H THR A 99 2.131 0.080 -7.873 1.00 1.10 H new ATOM 0 HA THR A 99 0.846 2.431 -6.683 1.00 5.35 H new ATOM 0 HB THR A 99 -0.224 2.479 -9.186 1.00 44.31 H new ATOM 0 HG1 THR A 99 1.502 2.264 -10.687 1.00 75.14 H new ATOM 0 HG21 THR A 99 1.193 4.453 -9.607 1.00 64.02 H new ATOM 0 HG22 THR A 99 0.590 4.421 -7.933 1.00 64.02 H new ATOM 0 HG23 THR A 99 2.272 3.956 -8.282 1.00 64.02 H new ATOM 198 N TRP A 100 -1.476 1.350 -7.033 1.00 44.34 N ATOM 199 CA TRP A 100 -2.702 0.573 -6.903 1.00 24.53 C ATOM 200 C TRP A 100 -3.929 1.442 -7.155 1.00 4.02 C ATOM 201 O TRP A 100 -4.090 2.498 -6.543 1.00 2.04 O ATOM 202 CB TRP A 100 -2.786 -0.057 -5.510 1.00 42.33 C ATOM 203 CG TRP A 100 -1.632 -0.963 -5.198 1.00 13.42 C ATOM 204 CD1 TRP A 100 -1.446 -2.238 -5.650 1.00 14.52 C ATOM 205 CD2 TRP A 100 -0.509 -0.661 -4.363 1.00 24.10 C ATOM 206 NE1 TRP A 100 -0.274 -2.747 -5.146 1.00 70.22 N ATOM 207 CE2 TRP A 100 0.321 -1.800 -4.355 1.00 73.33 C ATOM 208 CE3 TRP A 100 -0.121 0.459 -3.624 1.00 1.51 C ATOM 209 CZ2 TRP A 100 1.511 -1.848 -3.635 1.00 61.23 C ATOM 210 CZ3 TRP A 100 1.061 0.410 -2.910 1.00 24.05 C ATOM 211 CH2 TRP A 100 1.866 -0.738 -2.920 1.00 41.43 C ATOM 0 H TRP A 100 -1.580 2.341 -6.814 1.00 44.34 H new ATOM 0 HA TRP A 100 -2.681 -0.218 -7.652 1.00 24.53 H new ATOM 0 HB2 TRP A 100 -2.829 0.735 -4.763 1.00 42.33 H new ATOM 0 HB3 TRP A 100 -3.715 -0.622 -5.430 1.00 42.33 H new ATOM 0 HD1 TRP A 100 -2.120 -2.768 -6.306 1.00 14.52 H new ATOM 0 HE1 TRP A 100 0.094 -3.680 -5.331 1.00 70.22 H new ATOM 0 HE3 TRP A 100 -0.734 1.348 -3.611 1.00 1.51 H new ATOM 0 HZ2 TRP A 100 2.132 -2.731 -3.641 1.00 61.23 H new ATOM 0 HZ3 TRP A 100 1.370 1.270 -2.335 1.00 24.05 H new ATOM 0 HH2 TRP A 100 2.784 -0.746 -2.352 1.00 41.43 H new ATOM 222 N VAL A 101 -4.792 0.992 -8.061 1.00 24.12 N ATOM 223 CA VAL A 101 -6.005 1.729 -8.393 1.00 44.10 C ATOM 224 C VAL A 101 -7.236 1.062 -7.791 1.00 22.12 C ATOM 225 O VAL A 101 -7.587 -0.061 -8.155 1.00 34.21 O ATOM 226 CB VAL A 101 -6.191 1.846 -9.917 1.00 34.24 C ATOM 227 CG1 VAL A 101 -7.328 2.803 -10.245 1.00 24.53 C ATOM 228 CG2 VAL A 101 -4.897 2.294 -10.578 1.00 55.45 C ATOM 0 H VAL A 101 -4.673 0.121 -8.578 1.00 24.12 H new ATOM 0 HA VAL A 101 -5.894 2.728 -7.970 1.00 44.10 H new ATOM 0 HB VAL A 101 -6.452 0.864 -10.311 1.00 34.24 H new ATOM 0 HG11 VAL A 101 -7.444 2.873 -11.327 1.00 24.53 H new ATOM 0 HG12 VAL A 101 -8.254 2.433 -9.804 1.00 24.53 H new ATOM 0 HG13 VAL A 101 -7.102 3.789 -9.840 1.00 24.53 H new ATOM 0 HG21 VAL A 101 -5.046 2.371 -11.655 1.00 55.45 H new ATOM 0 HG22 VAL A 101 -4.603 3.266 -10.182 1.00 55.45 H new ATOM 0 HG23 VAL A 101 -4.112 1.566 -10.372 1.00 55.45 H new ATOM 238 N LEU A 102 -7.888 1.759 -6.868 1.00 32.21 N ATOM 239 CA LEU A 102 -9.083 1.235 -6.214 1.00 40.02 C ATOM 240 C LEU A 102 -10.113 2.338 -5.995 1.00 24.25 C ATOM 241 O LEU A 102 -9.758 3.496 -5.770 1.00 70.41 O ATOM 242 CB LEU A 102 -8.715 0.591 -4.876 1.00 60.10 C ATOM 243 CG LEU A 102 -8.295 1.551 -3.762 1.00 45.35 C ATOM 244 CD1 LEU A 102 -8.967 1.176 -2.452 1.00 14.05 C ATOM 245 CD2 LEU A 102 -6.780 1.554 -3.605 1.00 75.32 C ATOM 0 H LEU A 102 -7.610 2.689 -6.555 1.00 32.21 H new ATOM 0 HA LEU A 102 -9.522 0.479 -6.866 1.00 40.02 H new ATOM 0 HB2 LEU A 102 -9.570 0.013 -4.527 1.00 60.10 H new ATOM 0 HB3 LEU A 102 -7.901 -0.114 -5.046 1.00 60.10 H new ATOM 0 HG LEU A 102 -8.615 2.557 -4.035 1.00 45.35 H new ATOM 0 HD11 LEU A 102 -8.656 1.870 -1.672 1.00 14.05 H new ATOM 0 HD12 LEU A 102 -10.049 1.225 -2.571 1.00 14.05 H new ATOM 0 HD13 LEU A 102 -8.679 0.163 -2.172 1.00 14.05 H new ATOM 0 HD21 LEU A 102 -6.498 2.242 -2.808 1.00 75.32 H new ATOM 0 HD22 LEU A 102 -6.438 0.550 -3.355 1.00 75.32 H new ATOM 0 HD23 LEU A 102 -6.318 1.872 -4.540 1.00 75.32 H new ATOM 257 N ARG A 103 -11.388 1.971 -6.059 1.00 33.02 N ATOM 258 CA ARG A 103 -12.469 2.929 -5.865 1.00 54.35 C ATOM 259 C ARG A 103 -12.585 3.331 -4.398 1.00 23.33 C ATOM 260 O ARG A 103 -13.284 2.682 -3.619 1.00 25.04 O ATOM 261 CB ARG A 103 -13.795 2.339 -6.350 1.00 14.14 C ATOM 262 CG ARG A 103 -13.771 1.897 -7.803 1.00 24.41 C ATOM 263 CD ARG A 103 -15.153 1.480 -8.282 1.00 64.04 C ATOM 264 NE ARG A 103 -15.084 0.495 -9.359 1.00 32.10 N ATOM 265 CZ ARG A 103 -16.145 0.078 -10.041 1.00 62.11 C ATOM 266 NH1 ARG A 103 -17.349 0.559 -9.761 1.00 42.12 N ATOM 267 NH2 ARG A 103 -16.003 -0.821 -11.006 1.00 33.23 N ATOM 0 H ARG A 103 -11.698 1.017 -6.244 1.00 33.02 H new ATOM 0 HA ARG A 103 -12.239 3.820 -6.450 1.00 54.35 H new ATOM 0 HB2 ARG A 103 -14.053 1.485 -5.724 1.00 14.14 H new ATOM 0 HB3 ARG A 103 -14.583 3.081 -6.218 1.00 14.14 H new ATOM 0 HG2 ARG A 103 -13.399 2.711 -8.426 1.00 24.41 H new ATOM 0 HG3 ARG A 103 -13.078 1.064 -7.920 1.00 24.41 H new ATOM 0 HD2 ARG A 103 -15.717 1.065 -7.446 1.00 64.04 H new ATOM 0 HD3 ARG A 103 -15.697 2.359 -8.628 1.00 64.04 H new ATOM 0 HE ARG A 103 -14.172 0.107 -9.600 1.00 32.10 H new ATOM 0 HH11 ARG A 103 -17.462 1.251 -9.020 1.00 42.12 H new ATOM 0 HH12 ARG A 103 -18.162 0.237 -10.286 1.00 42.12 H new ATOM 0 HH21 ARG A 103 -15.079 -1.193 -11.225 1.00 33.23 H new ATOM 0 HH22 ARG A 103 -16.818 -1.141 -11.529 1.00 33.23 H new ATOM 281 N LEU A 104 -11.895 4.404 -4.027 1.00 72.15 N ATOM 282 CA LEU A 104 -11.919 4.892 -2.653 1.00 14.33 C ATOM 283 C LEU A 104 -12.416 6.334 -2.596 1.00 21.41 C ATOM 284 O LEU A 104 -12.255 7.094 -3.549 1.00 45.15 O ATOM 285 CB LEU A 104 -10.524 4.797 -2.032 1.00 54.13 C ATOM 286 CG LEU A 104 -10.474 4.446 -0.545 1.00 54.33 C ATOM 287 CD1 LEU A 104 -9.353 3.457 -0.267 1.00 74.31 C ATOM 288 CD2 LEU A 104 -10.297 5.704 0.293 1.00 31.43 C ATOM 0 H LEU A 104 -11.312 4.953 -4.659 1.00 72.15 H new ATOM 0 HA LEU A 104 -12.607 4.267 -2.084 1.00 14.33 H new ATOM 0 HB2 LEU A 104 -9.954 4.048 -2.581 1.00 54.13 H new ATOM 0 HB3 LEU A 104 -10.018 5.751 -2.177 1.00 54.13 H new ATOM 0 HG LEU A 104 -11.419 3.979 -0.269 1.00 54.33 H new ATOM 0 HD11 LEU A 104 -9.333 3.219 0.797 1.00 74.31 H new ATOM 0 HD12 LEU A 104 -9.522 2.545 -0.840 1.00 74.31 H new ATOM 0 HD13 LEU A 104 -8.399 3.897 -0.558 1.00 74.31 H new ATOM 0 HD21 LEU A 104 -10.263 5.436 1.349 1.00 31.43 H new ATOM 0 HD22 LEU A 104 -9.367 6.199 0.014 1.00 31.43 H new ATOM 0 HD23 LEU A 104 -11.134 6.379 0.117 1.00 31.43 H new ATOM 300 N ASP A 105 -13.020 6.701 -1.471 1.00 52.11 N ATOM 301 CA ASP A 105 -13.538 8.052 -1.287 1.00 63.12 C ATOM 302 C ASP A 105 -14.679 8.333 -2.259 1.00 61.25 C ATOM 303 O ASP A 105 -15.074 9.481 -2.454 1.00 11.30 O ATOM 304 CB ASP A 105 -12.421 9.080 -1.482 1.00 34.45 C ATOM 305 CG ASP A 105 -12.707 10.385 -0.767 1.00 13.45 C ATOM 306 OD1 ASP A 105 -13.876 10.614 -0.394 1.00 15.21 O ATOM 307 OD2 ASP A 105 -11.761 11.180 -0.580 1.00 40.04 O ATOM 0 H ASP A 105 -13.163 6.082 -0.673 1.00 52.11 H new ATOM 0 HA ASP A 105 -13.922 8.132 -0.270 1.00 63.12 H new ATOM 0 HB2 ASP A 105 -11.482 8.666 -1.115 1.00 34.45 H new ATOM 0 HB3 ASP A 105 -12.290 9.273 -2.547 1.00 34.45 H new ATOM 312 N GLY A 106 -15.205 7.275 -2.869 1.00 65.42 N ATOM 313 CA GLY A 106 -16.295 7.429 -3.815 1.00 42.14 C ATOM 314 C GLY A 106 -15.806 7.639 -5.234 1.00 63.54 C ATOM 315 O GLY A 106 -16.606 7.789 -6.157 1.00 31.43 O ATOM 0 H GLY A 106 -14.896 6.314 -2.725 1.00 65.42 H new ATOM 0 HA2 GLY A 106 -16.930 6.544 -3.780 1.00 42.14 H new ATOM 0 HA3 GLY A 106 -16.913 8.276 -3.518 1.00 42.14 H new ATOM 319 N GLU A 107 -14.488 7.650 -5.409 1.00 5.44 N ATOM 320 CA GLU A 107 -13.894 7.846 -6.727 1.00 13.44 C ATOM 321 C GLU A 107 -12.687 6.933 -6.921 1.00 34.32 C ATOM 322 O GLU A 107 -12.250 6.258 -5.989 1.00 11.13 O ATOM 323 CB GLU A 107 -13.477 9.307 -6.910 1.00 61.35 C ATOM 324 CG GLU A 107 -14.649 10.268 -7.008 1.00 52.03 C ATOM 325 CD GLU A 107 -14.224 11.720 -6.914 1.00 2.42 C ATOM 326 OE1 GLU A 107 -13.452 12.054 -5.990 1.00 32.05 O ATOM 327 OE2 GLU A 107 -14.662 12.523 -7.764 1.00 4.12 O ATOM 0 H GLU A 107 -13.812 7.526 -4.656 1.00 5.44 H new ATOM 0 HA GLU A 107 -14.643 7.593 -7.477 1.00 13.44 H new ATOM 0 HB2 GLU A 107 -12.845 9.603 -6.073 1.00 61.35 H new ATOM 0 HB3 GLU A 107 -12.872 9.393 -7.812 1.00 61.35 H new ATOM 0 HG2 GLU A 107 -15.168 10.106 -7.953 1.00 52.03 H new ATOM 0 HG3 GLU A 107 -15.360 10.050 -6.212 1.00 52.03 H new ATOM 334 N ASP A 108 -12.156 6.916 -8.138 1.00 40.20 N ATOM 335 CA ASP A 108 -11.000 6.086 -8.455 1.00 42.13 C ATOM 336 C ASP A 108 -9.751 6.598 -7.743 1.00 62.12 C ATOM 337 O ASP A 108 -9.011 7.422 -8.281 1.00 1.14 O ATOM 338 CB ASP A 108 -10.765 6.058 -9.966 1.00 44.15 C ATOM 339 CG ASP A 108 -11.791 5.214 -10.697 1.00 2.15 C ATOM 340 OD1 ASP A 108 -11.600 3.982 -10.773 1.00 53.02 O ATOM 341 OD2 ASP A 108 -12.785 5.786 -11.191 1.00 40.14 O ATOM 0 H ASP A 108 -12.507 7.467 -8.921 1.00 40.20 H new ATOM 0 HA ASP A 108 -11.205 5.073 -8.108 1.00 42.13 H new ATOM 0 HB2 ASP A 108 -10.794 7.076 -10.354 1.00 44.15 H new ATOM 0 HB3 ASP A 108 -9.768 5.668 -10.168 1.00 44.15 H new ATOM 346 N LEU A 109 -9.524 6.103 -6.532 1.00 0.11 N ATOM 347 CA LEU A 109 -8.365 6.511 -5.745 1.00 23.33 C ATOM 348 C LEU A 109 -7.094 5.844 -6.260 1.00 54.14 C ATOM 349 O LEU A 109 -7.055 4.630 -6.460 1.00 73.33 O ATOM 350 CB LEU A 109 -8.576 6.160 -4.271 1.00 14.03 C ATOM 351 CG LEU A 109 -7.860 7.056 -3.259 1.00 14.24 C ATOM 352 CD1 LEU A 109 -8.843 8.015 -2.605 1.00 34.13 C ATOM 353 CD2 LEU A 109 -7.154 6.213 -2.206 1.00 12.25 C ATOM 0 H LEU A 109 -10.126 5.419 -6.073 1.00 0.11 H new ATOM 0 HA LEU A 109 -8.252 7.591 -5.844 1.00 23.33 H new ATOM 0 HB2 LEU A 109 -9.645 6.190 -4.060 1.00 14.03 H new ATOM 0 HB3 LEU A 109 -8.249 5.133 -4.112 1.00 14.03 H new ATOM 0 HG LEU A 109 -7.110 7.643 -3.789 1.00 14.24 H new ATOM 0 HD11 LEU A 109 -8.315 8.644 -1.888 1.00 34.13 H new ATOM 0 HD12 LEU A 109 -9.303 8.642 -3.369 1.00 34.13 H new ATOM 0 HD13 LEU A 109 -9.617 7.447 -2.088 1.00 34.13 H new ATOM 0 HD21 LEU A 109 -6.650 6.867 -1.494 1.00 12.25 H new ATOM 0 HD22 LEU A 109 -7.886 5.600 -1.680 1.00 12.25 H new ATOM 0 HD23 LEU A 109 -6.420 5.568 -2.689 1.00 12.25 H new ATOM 365 N ARG A 110 -6.055 6.645 -6.472 1.00 40.20 N ATOM 366 CA ARG A 110 -4.782 6.133 -6.964 1.00 72.15 C ATOM 367 C ARG A 110 -3.737 6.114 -5.852 1.00 52.41 C ATOM 368 O ARG A 110 -3.325 7.163 -5.357 1.00 23.33 O ATOM 369 CB ARG A 110 -4.282 6.983 -8.134 1.00 35.25 C ATOM 370 CG ARG A 110 -3.616 6.174 -9.233 1.00 71.44 C ATOM 371 CD ARG A 110 -3.098 7.070 -10.348 1.00 22.11 C ATOM 372 NE ARG A 110 -1.680 7.379 -10.187 1.00 2.34 N ATOM 373 CZ ARG A 110 -1.044 8.303 -10.899 1.00 25.34 C ATOM 374 NH1 ARG A 110 -1.696 9.004 -11.815 1.00 41.34 N ATOM 375 NH2 ARG A 110 0.249 8.527 -10.694 1.00 71.41 N ATOM 0 H ARG A 110 -6.070 7.652 -6.311 1.00 40.20 H new ATOM 0 HA ARG A 110 -4.940 5.111 -7.309 1.00 72.15 H new ATOM 0 HB2 ARG A 110 -5.122 7.533 -8.558 1.00 35.25 H new ATOM 0 HB3 ARG A 110 -3.574 7.722 -7.759 1.00 35.25 H new ATOM 0 HG2 ARG A 110 -2.791 5.599 -8.814 1.00 71.44 H new ATOM 0 HG3 ARG A 110 -4.329 5.458 -9.642 1.00 71.44 H new ATOM 0 HD2 ARG A 110 -3.256 6.581 -11.309 1.00 22.11 H new ATOM 0 HD3 ARG A 110 -3.671 7.997 -10.364 1.00 22.11 H new ATOM 0 HE ARG A 110 -1.149 6.857 -9.490 1.00 2.34 H new ATOM 0 HH11 ARG A 110 -2.689 8.835 -11.975 1.00 41.34 H new ATOM 0 HH12 ARG A 110 -1.205 9.713 -12.360 1.00 41.34 H new ATOM 0 HH21 ARG A 110 0.754 7.989 -9.990 1.00 71.41 H new ATOM 0 HH22 ARG A 110 0.737 9.237 -11.241 1.00 71.41 H new ATOM 389 N VAL A 111 -3.314 4.915 -5.464 1.00 32.34 N ATOM 390 CA VAL A 111 -2.318 4.759 -4.411 1.00 3.21 C ATOM 391 C VAL A 111 -0.918 4.615 -4.997 1.00 42.11 C ATOM 392 O VAL A 111 -0.721 3.937 -6.004 1.00 73.25 O ATOM 393 CB VAL A 111 -2.622 3.535 -3.528 1.00 61.20 C ATOM 394 CG1 VAL A 111 -2.040 3.724 -2.135 1.00 30.32 C ATOM 395 CG2 VAL A 111 -4.121 3.286 -3.460 1.00 30.33 C ATOM 0 H VAL A 111 -3.646 4.037 -5.864 1.00 32.34 H new ATOM 0 HA VAL A 111 -2.361 5.659 -3.798 1.00 3.21 H new ATOM 0 HB VAL A 111 -2.152 2.660 -3.976 1.00 61.20 H new ATOM 0 HG11 VAL A 111 -2.265 2.849 -1.525 1.00 30.32 H new ATOM 0 HG12 VAL A 111 -0.960 3.849 -2.206 1.00 30.32 H new ATOM 0 HG13 VAL A 111 -2.478 4.610 -1.675 1.00 30.32 H new ATOM 0 HG21 VAL A 111 -4.317 2.417 -2.832 1.00 30.33 H new ATOM 0 HG22 VAL A 111 -4.616 4.160 -3.036 1.00 30.33 H new ATOM 0 HG23 VAL A 111 -4.505 3.102 -4.463 1.00 30.33 H new ATOM 405 N VAL A 112 0.054 5.259 -4.358 1.00 23.03 N ATOM 406 CA VAL A 112 1.438 5.202 -4.814 1.00 14.54 C ATOM 407 C VAL A 112 2.394 5.004 -3.644 1.00 61.12 C ATOM 408 O VAL A 112 2.387 5.775 -2.684 1.00 34.11 O ATOM 409 CB VAL A 112 1.832 6.483 -5.573 1.00 72.34 C ATOM 410 CG1 VAL A 112 3.306 6.453 -5.943 1.00 63.42 C ATOM 411 CG2 VAL A 112 0.966 6.654 -6.812 1.00 44.13 C ATOM 0 H VAL A 112 -0.092 5.826 -3.523 1.00 23.03 H new ATOM 0 HA VAL A 112 1.514 4.350 -5.490 1.00 14.54 H new ATOM 0 HB VAL A 112 1.665 7.339 -4.919 1.00 72.34 H new ATOM 0 HG11 VAL A 112 3.565 7.366 -6.479 1.00 63.42 H new ATOM 0 HG12 VAL A 112 3.907 6.381 -5.037 1.00 63.42 H new ATOM 0 HG13 VAL A 112 3.504 5.591 -6.580 1.00 63.42 H new ATOM 0 HG21 VAL A 112 1.257 7.564 -7.337 1.00 44.13 H new ATOM 0 HG22 VAL A 112 1.100 5.796 -7.471 1.00 44.13 H new ATOM 0 HG23 VAL A 112 -0.081 6.725 -6.517 1.00 44.13 H new ATOM 421 N LEU A 113 3.217 3.964 -3.730 1.00 50.31 N ATOM 422 CA LEU A 113 4.182 3.664 -2.678 1.00 21.10 C ATOM 423 C LEU A 113 5.609 3.908 -3.161 1.00 33.34 C ATOM 424 O LEU A 113 6.154 3.123 -3.936 1.00 12.03 O ATOM 425 CB LEU A 113 4.029 2.213 -2.217 1.00 71.32 C ATOM 426 CG LEU A 113 5.099 1.697 -1.255 1.00 2.10 C ATOM 427 CD1 LEU A 113 5.485 2.778 -0.258 1.00 5.15 C ATOM 428 CD2 LEU A 113 4.610 0.452 -0.532 1.00 24.43 C ATOM 0 H LEU A 113 3.235 3.315 -4.517 1.00 50.31 H new ATOM 0 HA LEU A 113 3.984 4.329 -1.837 1.00 21.10 H new ATOM 0 HB2 LEU A 113 3.056 2.106 -1.737 1.00 71.32 H new ATOM 0 HB3 LEU A 113 4.022 1.572 -3.098 1.00 71.32 H new ATOM 0 HG LEU A 113 5.984 1.432 -1.834 1.00 2.10 H new ATOM 0 HD11 LEU A 113 6.248 2.393 0.419 1.00 5.15 H new ATOM 0 HD12 LEU A 113 5.878 3.643 -0.793 1.00 5.15 H new ATOM 0 HD13 LEU A 113 4.607 3.074 0.316 1.00 5.15 H new ATOM 0 HD21 LEU A 113 5.385 0.099 0.149 1.00 24.43 H new ATOM 0 HD22 LEU A 113 3.710 0.690 0.035 1.00 24.43 H new ATOM 0 HD23 LEU A 113 4.384 -0.327 -1.260 1.00 24.43 H new ATOM 440 N GLU A 114 6.207 5.000 -2.696 1.00 2.25 N ATOM 441 CA GLU A 114 7.571 5.345 -3.080 1.00 15.23 C ATOM 442 C GLU A 114 8.584 4.540 -2.271 1.00 73.01 C ATOM 443 O GLU A 114 8.458 4.403 -1.055 1.00 10.43 O ATOM 444 CB GLU A 114 7.816 6.843 -2.880 1.00 33.13 C ATOM 445 CG GLU A 114 8.210 7.570 -4.153 1.00 54.23 C ATOM 446 CD GLU A 114 7.315 8.759 -4.447 1.00 40.35 C ATOM 447 OE1 GLU A 114 6.084 8.632 -4.279 1.00 2.11 O ATOM 448 OE2 GLU A 114 7.846 9.817 -4.845 1.00 44.01 O ATOM 0 H GLU A 114 5.769 5.660 -2.054 1.00 2.25 H new ATOM 0 HA GLU A 114 7.698 5.100 -4.135 1.00 15.23 H new ATOM 0 HB2 GLU A 114 6.913 7.300 -2.476 1.00 33.13 H new ATOM 0 HB3 GLU A 114 8.602 6.978 -2.137 1.00 33.13 H new ATOM 0 HG2 GLU A 114 9.242 7.909 -4.068 1.00 54.23 H new ATOM 0 HG3 GLU A 114 8.171 6.874 -4.991 1.00 54.23 H new ATOM 455 N LYS A 115 9.589 4.007 -2.958 1.00 41.32 N ATOM 456 CA LYS A 115 10.626 3.215 -2.307 1.00 51.42 C ATOM 457 C LYS A 115 11.574 4.109 -1.513 1.00 63.13 C ATOM 458 O LYS A 115 12.319 3.632 -0.656 1.00 44.41 O ATOM 459 CB LYS A 115 11.413 2.414 -3.346 1.00 22.10 C ATOM 460 CG LYS A 115 10.748 1.105 -3.736 1.00 51.33 C ATOM 461 CD LYS A 115 11.498 -0.090 -3.176 1.00 64.51 C ATOM 462 CE LYS A 115 12.792 -0.343 -3.935 1.00 75.33 C ATOM 463 NZ LYS A 115 13.367 -1.680 -3.622 1.00 23.00 N ATOM 0 H LYS A 115 9.707 4.109 -3.966 1.00 41.32 H new ATOM 0 HA LYS A 115 10.142 2.524 -1.617 1.00 51.42 H new ATOM 0 HB2 LYS A 115 11.546 3.025 -4.239 1.00 22.10 H new ATOM 0 HB3 LYS A 115 12.408 2.204 -2.953 1.00 22.10 H new ATOM 0 HG2 LYS A 115 9.721 1.095 -3.371 1.00 51.33 H new ATOM 0 HG3 LYS A 115 10.701 1.029 -4.822 1.00 51.33 H new ATOM 0 HD2 LYS A 115 11.720 0.080 -2.123 1.00 64.51 H new ATOM 0 HD3 LYS A 115 10.865 -0.976 -3.229 1.00 64.51 H new ATOM 0 HE2 LYS A 115 12.605 -0.270 -5.006 1.00 75.33 H new ATOM 0 HE3 LYS A 115 13.517 0.432 -3.685 1.00 75.33 H new ATOM 0 HZ1 LYS A 115 14.248 -1.814 -4.159 1.00 23.00 H new ATOM 0 HZ2 LYS A 115 13.570 -1.741 -2.604 1.00 23.00 H new ATOM 0 HZ3 LYS A 115 12.686 -2.421 -3.884 1.00 23.00 H new ATOM 477 N ASP A 116 11.540 5.404 -1.803 1.00 3.43 N ATOM 478 CA ASP A 116 12.395 6.365 -1.114 1.00 24.21 C ATOM 479 C ASP A 116 12.269 6.217 0.399 1.00 13.31 C ATOM 480 O ASP A 116 13.261 6.015 1.099 1.00 25.24 O ATOM 481 CB ASP A 116 12.036 7.791 -1.532 1.00 3.32 C ATOM 482 CG ASP A 116 13.223 8.732 -1.458 1.00 4.44 C ATOM 483 OD1 ASP A 116 14.070 8.550 -0.559 1.00 24.55 O ATOM 484 OD2 ASP A 116 13.305 9.651 -2.299 1.00 63.11 O ATOM 0 H ASP A 116 10.930 5.814 -2.510 1.00 3.43 H new ATOM 0 HA ASP A 116 13.428 6.162 -1.396 1.00 24.21 H new ATOM 0 HB2 ASP A 116 11.647 7.781 -2.550 1.00 3.32 H new ATOM 0 HB3 ASP A 116 11.239 8.165 -0.890 1.00 3.32 H new ATOM 489 N THR A 117 11.042 6.321 0.898 1.00 55.22 N ATOM 490 CA THR A 117 10.785 6.202 2.328 1.00 72.24 C ATOM 491 C THR A 117 9.560 5.335 2.596 1.00 23.45 C ATOM 492 O THR A 117 8.997 5.361 3.690 1.00 70.04 O ATOM 493 CB THR A 117 10.575 7.582 2.977 1.00 14.23 C ATOM 494 OG1 THR A 117 10.477 8.591 1.965 1.00 11.43 O ATOM 495 CG2 THR A 117 11.718 7.916 3.923 1.00 23.00 C ATOM 0 H THR A 117 10.210 6.488 0.333 1.00 55.22 H new ATOM 0 HA THR A 117 11.663 5.731 2.769 1.00 72.24 H new ATOM 0 HB THR A 117 9.648 7.551 3.549 1.00 14.23 H new ATOM 0 HG1 THR A 117 10.342 9.465 2.387 1.00 11.43 H new ATOM 0 HG21 THR A 117 11.547 8.896 4.369 1.00 23.00 H new ATOM 0 HG22 THR A 117 11.771 7.163 4.710 1.00 23.00 H new ATOM 0 HG23 THR A 117 12.657 7.929 3.369 1.00 23.00 H new ATOM 503 N MET A 118 9.154 4.566 1.592 1.00 41.23 N ATOM 504 CA MET A 118 7.996 3.689 1.721 1.00 62.10 C ATOM 505 C MET A 118 6.730 4.495 1.993 1.00 61.30 C ATOM 506 O MET A 118 5.725 3.954 2.455 1.00 44.32 O ATOM 507 CB MET A 118 8.221 2.675 2.845 1.00 31.13 C ATOM 508 CG MET A 118 8.580 1.285 2.347 1.00 73.12 C ATOM 509 SD MET A 118 8.461 0.033 3.639 1.00 62.31 S ATOM 510 CE MET A 118 7.553 -1.252 2.782 1.00 45.21 C ATOM 0 H MET A 118 9.609 4.532 0.680 1.00 41.23 H new ATOM 0 HA MET A 118 7.869 3.155 0.779 1.00 62.10 H new ATOM 0 HB2 MET A 118 9.018 3.036 3.495 1.00 31.13 H new ATOM 0 HB3 MET A 118 7.318 2.612 3.453 1.00 31.13 H new ATOM 0 HG2 MET A 118 7.918 1.016 1.524 1.00 73.12 H new ATOM 0 HG3 MET A 118 9.595 1.296 1.950 1.00 73.12 H new ATOM 0 HE1 MET A 118 6.671 -1.523 3.362 1.00 45.21 H new ATOM 0 HE2 MET A 118 7.245 -0.888 1.802 1.00 45.21 H new ATOM 0 HE3 MET A 118 8.190 -2.128 2.660 1.00 45.21 H new ATOM 520 N ASP A 119 6.786 5.790 1.703 1.00 30.11 N ATOM 521 CA ASP A 119 5.643 6.671 1.916 1.00 61.22 C ATOM 522 C ASP A 119 4.471 6.264 1.028 1.00 3.42 C ATOM 523 O ASP A 119 4.654 5.916 -0.139 1.00 14.24 O ATOM 524 CB ASP A 119 6.033 8.123 1.634 1.00 0.14 C ATOM 525 CG ASP A 119 5.699 9.046 2.790 1.00 72.13 C ATOM 526 OD1 ASP A 119 6.496 9.107 3.748 1.00 3.03 O ATOM 527 OD2 ASP A 119 4.640 9.708 2.735 1.00 21.50 O ATOM 0 H ASP A 119 7.610 6.253 1.320 1.00 30.11 H new ATOM 0 HA ASP A 119 5.334 6.581 2.958 1.00 61.22 H new ATOM 0 HB2 ASP A 119 7.102 8.176 1.428 1.00 0.14 H new ATOM 0 HB3 ASP A 119 5.518 8.467 0.737 1.00 0.14 H new ATOM 532 N VAL A 120 3.268 6.310 1.590 1.00 75.22 N ATOM 533 CA VAL A 120 2.065 5.946 0.849 1.00 2.22 C ATOM 534 C VAL A 120 1.265 7.183 0.457 1.00 41.43 C ATOM 535 O VAL A 120 0.799 7.931 1.316 1.00 1.32 O ATOM 536 CB VAL A 120 1.163 5.005 1.671 1.00 3.11 C ATOM 537 CG1 VAL A 120 -0.101 4.664 0.896 1.00 50.43 C ATOM 538 CG2 VAL A 120 1.920 3.743 2.054 1.00 31.43 C ATOM 0 H VAL A 120 3.100 6.595 2.555 1.00 75.22 H new ATOM 0 HA VAL A 120 2.393 5.428 -0.052 1.00 2.22 H new ATOM 0 HB VAL A 120 0.871 5.519 2.587 1.00 3.11 H new ATOM 0 HG11 VAL A 120 -0.725 3.999 1.493 1.00 50.43 H new ATOM 0 HG12 VAL A 120 -0.652 5.579 0.677 1.00 50.43 H new ATOM 0 HG13 VAL A 120 0.167 4.170 -0.038 1.00 50.43 H new ATOM 0 HG21 VAL A 120 1.268 3.090 2.634 1.00 31.43 H new ATOM 0 HG22 VAL A 120 2.243 3.225 1.151 1.00 31.43 H new ATOM 0 HG23 VAL A 120 2.792 4.009 2.652 1.00 31.43 H new ATOM 548 N TRP A 121 1.112 7.393 -0.846 1.00 32.23 N ATOM 549 CA TRP A 121 0.367 8.541 -1.352 1.00 64.33 C ATOM 550 C TRP A 121 -1.041 8.134 -1.770 1.00 51.34 C ATOM 551 O TRP A 121 -1.224 7.179 -2.525 1.00 5.13 O ATOM 552 CB TRP A 121 1.103 9.167 -2.538 1.00 41.20 C ATOM 553 CG TRP A 121 0.881 10.645 -2.660 1.00 75.03 C ATOM 554 CD1 TRP A 121 0.124 11.430 -1.839 1.00 13.11 C ATOM 555 CD2 TRP A 121 1.419 11.512 -3.665 1.00 21.55 C ATOM 556 NE1 TRP A 121 0.159 12.734 -2.272 1.00 24.40 N ATOM 557 CE2 TRP A 121 0.947 12.810 -3.390 1.00 45.15 C ATOM 558 CE3 TRP A 121 2.255 11.318 -4.768 1.00 1.25 C ATOM 559 CZ2 TRP A 121 1.284 13.907 -4.180 1.00 34.34 C ATOM 560 CZ3 TRP A 121 2.588 12.407 -5.550 1.00 72.21 C ATOM 561 CH2 TRP A 121 2.104 13.688 -5.253 1.00 74.21 C ATOM 0 H TRP A 121 1.493 6.784 -1.570 1.00 32.23 H new ATOM 0 HA TRP A 121 0.290 9.276 -0.551 1.00 64.33 H new ATOM 0 HB2 TRP A 121 2.171 8.974 -2.437 1.00 41.20 H new ATOM 0 HB3 TRP A 121 0.777 8.680 -3.457 1.00 41.20 H new ATOM 0 HD1 TRP A 121 -0.422 11.078 -0.976 1.00 13.11 H new ATOM 0 HE1 TRP A 121 -0.323 13.518 -1.832 1.00 24.40 H new ATOM 0 HE3 TRP A 121 2.634 10.335 -5.005 1.00 1.25 H new ATOM 0 HZ2 TRP A 121 0.911 14.895 -3.953 1.00 34.34 H new ATOM 0 HZ3 TRP A 121 3.233 12.269 -6.405 1.00 72.21 H new ATOM 0 HH2 TRP A 121 2.384 14.519 -5.884 1.00 74.21 H new ATOM 572 N CYS A 122 -2.034 8.866 -1.275 1.00 30.33 N ATOM 573 CA CYS A 122 -3.428 8.581 -1.597 1.00 24.42 C ATOM 574 C CYS A 122 -4.108 9.806 -2.198 1.00 31.04 C ATOM 575 O CYS A 122 -4.461 10.744 -1.485 1.00 33.04 O ATOM 576 CB CYS A 122 -4.179 8.127 -0.344 1.00 72.04 C ATOM 577 SG CYS A 122 -4.402 6.336 -0.225 1.00 25.10 S ATOM 0 H CYS A 122 -1.899 9.661 -0.650 1.00 30.33 H new ATOM 0 HA CYS A 122 -3.449 7.779 -2.335 1.00 24.42 H new ATOM 0 HB2 CYS A 122 -3.638 8.474 0.536 1.00 72.04 H new ATOM 0 HB3 CYS A 122 -5.158 8.606 -0.327 1.00 72.04 H new ATOM 0 HG CYS A 122 -4.159 5.948 0.992 1.00 25.10 H new ATOM 583 N ASN A 123 -4.289 9.790 -3.514 1.00 73.24 N ATOM 584 CA ASN A 123 -4.925 10.901 -4.212 1.00 14.32 C ATOM 585 C ASN A 123 -4.364 12.237 -3.734 1.00 73.45 C ATOM 586 O ASN A 123 -5.050 13.006 -3.062 1.00 42.30 O ATOM 587 CB ASN A 123 -6.440 10.865 -3.997 1.00 4.42 C ATOM 588 CG ASN A 123 -7.159 10.077 -5.073 1.00 72.32 C ATOM 589 OD1 ASN A 123 -6.531 9.381 -5.872 1.00 40.34 O ATOM 590 ND2 ASN A 123 -8.483 10.180 -5.099 1.00 23.24 N ATOM 0 H ASN A 123 -4.004 9.020 -4.119 1.00 73.24 H new ATOM 0 HA ASN A 123 -4.713 10.798 -5.276 1.00 14.32 H new ATOM 0 HB2 ASN A 123 -6.655 10.425 -3.023 1.00 4.42 H new ATOM 0 HB3 ASN A 123 -6.826 11.884 -3.978 1.00 4.42 H new ATOM 0 HD21 ASN A 123 -9.020 9.671 -5.800 1.00 23.24 H new ATOM 0 HD22 ASN A 123 -8.962 10.768 -4.417 1.00 23.24 H new ATOM 597 N GLY A 124 -3.110 12.506 -4.087 1.00 32.13 N ATOM 598 CA GLY A 124 -2.478 13.749 -3.686 1.00 31.43 C ATOM 599 C GLY A 124 -2.645 14.034 -2.206 1.00 71.03 C ATOM 600 O GLY A 124 -2.850 15.180 -1.808 1.00 61.23 O ATOM 0 H GLY A 124 -2.522 11.886 -4.643 1.00 32.13 H new ATOM 0 HA2 GLY A 124 -1.416 13.707 -3.927 1.00 31.43 H new ATOM 0 HA3 GLY A 124 -2.903 14.571 -4.261 1.00 31.43 H new ATOM 604 N GLN A 125 -2.558 12.988 -1.390 1.00 44.10 N ATOM 605 CA GLN A 125 -2.704 13.132 0.054 1.00 42.43 C ATOM 606 C GLN A 125 -1.817 12.135 0.792 1.00 70.01 C ATOM 607 O GLN A 125 -2.027 10.924 0.712 1.00 34.22 O ATOM 608 CB GLN A 125 -4.164 12.935 0.462 1.00 1.14 C ATOM 609 CG GLN A 125 -4.723 14.078 1.295 1.00 23.32 C ATOM 610 CD GLN A 125 -3.923 14.322 2.559 1.00 4.43 C ATOM 611 OE1 GLN A 125 -3.715 13.412 3.363 1.00 43.04 O ATOM 612 NE2 GLN A 125 -3.468 15.556 2.744 1.00 53.10 N ATOM 0 H GLN A 125 -2.387 12.033 -1.704 1.00 44.10 H new ATOM 0 HA GLN A 125 -2.392 14.140 0.328 1.00 42.43 H new ATOM 0 HB2 GLN A 125 -4.771 12.820 -0.436 1.00 1.14 H new ATOM 0 HB3 GLN A 125 -4.253 12.007 1.027 1.00 1.14 H new ATOM 0 HG2 GLN A 125 -4.735 14.988 0.695 1.00 23.32 H new ATOM 0 HG3 GLN A 125 -5.757 13.858 1.560 1.00 23.32 H new ATOM 0 HE21 GLN A 125 -3.663 16.280 2.053 1.00 53.10 H new ATOM 0 HE22 GLN A 125 -2.923 15.779 3.577 1.00 53.10 H new ATOM 621 N LYS A 126 -0.826 12.650 1.510 1.00 4.30 N ATOM 622 CA LYS A 126 0.093 11.806 2.265 1.00 60.01 C ATOM 623 C LYS A 126 -0.671 10.861 3.188 1.00 42.41 C ATOM 624 O LYS A 126 -1.834 11.097 3.508 1.00 15.52 O ATOM 625 CB LYS A 126 1.056 12.669 3.083 1.00 1.01 C ATOM 626 CG LYS A 126 2.506 12.229 2.977 1.00 65.24 C ATOM 627 CD LYS A 126 3.450 13.420 2.958 1.00 70.21 C ATOM 628 CE LYS A 126 4.651 13.164 2.060 1.00 11.43 C ATOM 629 NZ LYS A 126 4.276 13.170 0.619 1.00 11.21 N ATOM 0 H LYS A 126 -0.638 13.650 1.585 1.00 4.30 H new ATOM 0 HA LYS A 126 0.665 11.209 1.555 1.00 60.01 H new ATOM 0 HB2 LYS A 126 0.974 13.704 2.752 1.00 1.01 H new ATOM 0 HB3 LYS A 126 0.753 12.644 4.130 1.00 1.01 H new ATOM 0 HG2 LYS A 126 2.753 11.581 3.818 1.00 65.24 H new ATOM 0 HG3 LYS A 126 2.643 11.640 2.070 1.00 65.24 H new ATOM 0 HD2 LYS A 126 2.916 14.304 2.610 1.00 70.21 H new ATOM 0 HD3 LYS A 126 3.791 13.632 3.971 1.00 70.21 H new ATOM 0 HE2 LYS A 126 5.409 13.926 2.241 1.00 11.43 H new ATOM 0 HE3 LYS A 126 5.097 12.203 2.315 1.00 11.43 H new ATOM 0 HZ1 LYS A 126 5.129 13.299 0.039 1.00 11.21 H new ATOM 0 HZ2 LYS A 126 3.824 12.266 0.374 1.00 11.21 H new ATOM 0 HZ3 LYS A 126 3.612 13.950 0.436 1.00 11.21 H new ATOM 643 N MET A 127 -0.005 9.792 3.615 1.00 11.31 N ATOM 644 CA MET A 127 -0.621 8.815 4.504 1.00 20.54 C ATOM 645 C MET A 127 0.241 8.587 5.742 1.00 22.13 C ATOM 646 O MET A 127 1.418 8.944 5.763 1.00 3.23 O ATOM 647 CB MET A 127 -0.839 7.491 3.770 1.00 62.55 C ATOM 648 CG MET A 127 -1.841 7.586 2.631 1.00 74.41 C ATOM 649 SD MET A 127 -3.523 7.202 3.154 1.00 74.25 S ATOM 650 CE MET A 127 -3.341 5.492 3.655 1.00 11.13 C ATOM 0 H MET A 127 0.960 9.581 3.360 1.00 11.31 H new ATOM 0 HA MET A 127 -1.586 9.209 4.822 1.00 20.54 H new ATOM 0 HB2 MET A 127 0.115 7.142 3.375 1.00 62.55 H new ATOM 0 HB3 MET A 127 -1.182 6.742 4.483 1.00 62.55 H new ATOM 0 HG2 MET A 127 -1.815 8.592 2.212 1.00 74.41 H new ATOM 0 HG3 MET A 127 -1.547 6.902 1.835 1.00 74.41 H new ATOM 0 HE1 MET A 127 -3.999 4.865 3.054 1.00 11.13 H new ATOM 0 HE2 MET A 127 -2.307 5.178 3.509 1.00 11.13 H new ATOM 0 HE3 MET A 127 -3.605 5.391 4.708 1.00 11.13 H new ATOM 660 N GLU A 128 -0.354 7.991 6.771 1.00 70.15 N ATOM 661 CA GLU A 128 0.361 7.718 8.012 1.00 74.13 C ATOM 662 C GLU A 128 0.407 6.218 8.294 1.00 14.42 C ATOM 663 O GLU A 128 -0.596 5.615 8.676 1.00 13.53 O ATOM 664 CB GLU A 128 -0.305 8.448 9.180 1.00 24.32 C ATOM 665 CG GLU A 128 0.202 8.004 10.543 1.00 72.34 C ATOM 666 CD GLU A 128 0.581 9.172 11.433 1.00 53.02 C ATOM 667 OE1 GLU A 128 -0.295 10.020 11.703 1.00 23.02 O ATOM 668 OE2 GLU A 128 1.753 9.236 11.859 1.00 12.42 O ATOM 0 H GLU A 128 -1.328 7.688 6.770 1.00 70.15 H new ATOM 0 HA GLU A 128 1.383 8.081 7.901 1.00 74.13 H new ATOM 0 HB2 GLU A 128 -0.138 9.520 9.071 1.00 24.32 H new ATOM 0 HB3 GLU A 128 -1.382 8.287 9.132 1.00 24.32 H new ATOM 0 HG2 GLU A 128 -0.567 7.410 11.037 1.00 72.34 H new ATOM 0 HG3 GLU A 128 1.069 7.356 10.411 1.00 72.34 H new ATOM 675 N THR A 129 1.579 5.622 8.103 1.00 44.03 N ATOM 676 CA THR A 129 1.757 4.194 8.335 1.00 62.23 C ATOM 677 C THR A 129 2.309 3.928 9.731 1.00 64.04 C ATOM 678 O THR A 129 2.508 4.855 10.516 1.00 61.42 O ATOM 679 CB THR A 129 2.705 3.570 7.293 1.00 55.12 C ATOM 680 OG1 THR A 129 4.059 3.938 7.579 1.00 12.22 O ATOM 681 CG2 THR A 129 2.338 4.021 5.887 1.00 14.44 C ATOM 0 H THR A 129 2.420 6.106 7.788 1.00 44.03 H new ATOM 0 HA THR A 129 0.773 3.734 8.243 1.00 62.23 H new ATOM 0 HB THR A 129 2.604 2.486 7.347 1.00 55.12 H new ATOM 0 HG1 THR A 129 4.655 3.536 6.913 1.00 12.22 H new ATOM 0 HG21 THR A 129 3.021 3.567 5.169 1.00 14.44 H new ATOM 0 HG22 THR A 129 1.317 3.713 5.661 1.00 14.44 H new ATOM 0 HG23 THR A 129 2.412 5.107 5.822 1.00 14.44 H new ATOM 689 N ALA A 130 2.554 2.658 10.033 1.00 42.21 N ATOM 690 CA ALA A 130 3.086 2.270 11.334 1.00 51.43 C ATOM 691 C ALA A 130 4.609 2.201 11.305 1.00 3.10 C ATOM 692 O ALA A 130 5.271 2.458 12.310 1.00 12.22 O ATOM 693 CB ALA A 130 2.502 0.934 11.766 1.00 42.03 C ATOM 0 H ALA A 130 2.393 1.879 9.394 1.00 42.21 H new ATOM 0 HA ALA A 130 2.797 3.031 12.059 1.00 51.43 H new ATOM 0 HB1 ALA A 130 2.908 0.657 12.739 1.00 42.03 H new ATOM 0 HB2 ALA A 130 1.417 1.016 11.836 1.00 42.03 H new ATOM 0 HB3 ALA A 130 2.761 0.170 11.034 1.00 42.03 H new ATOM 699 N GLY A 131 5.160 1.851 10.147 1.00 73.03 N ATOM 700 CA GLY A 131 6.601 1.753 10.010 1.00 31.45 C ATOM 701 C GLY A 131 7.219 0.823 11.035 1.00 22.15 C ATOM 702 O GLY A 131 7.923 1.268 11.941 1.00 1.31 O ATOM 0 H GLY A 131 4.634 1.633 9.301 1.00 73.03 H new ATOM 0 HA2 GLY A 131 6.844 1.398 9.009 1.00 31.45 H new ATOM 0 HA3 GLY A 131 7.041 2.745 10.112 1.00 31.45 H new ATOM 706 N GLU A 132 6.953 -0.472 10.895 1.00 50.13 N ATOM 707 CA GLU A 132 7.486 -1.465 11.819 1.00 4.11 C ATOM 708 C GLU A 132 8.210 -2.577 11.065 1.00 10.42 C ATOM 709 O GLU A 132 7.594 -3.342 10.322 1.00 2.42 O ATOM 710 CB GLU A 132 6.361 -2.059 12.669 1.00 21.44 C ATOM 711 CG GLU A 132 6.338 -1.541 14.097 1.00 23.40 C ATOM 712 CD GLU A 132 5.027 -1.831 14.802 1.00 13.30 C ATOM 713 OE1 GLU A 132 4.070 -2.258 14.122 1.00 42.30 O ATOM 714 OE2 GLU A 132 4.957 -1.630 16.032 1.00 25.24 O ATOM 0 H GLU A 132 6.372 -0.857 10.151 1.00 50.13 H new ATOM 0 HA GLU A 132 8.202 -0.967 12.473 1.00 4.11 H new ATOM 0 HB2 GLU A 132 5.404 -1.838 12.196 1.00 21.44 H new ATOM 0 HB3 GLU A 132 6.465 -3.144 12.687 1.00 21.44 H new ATOM 0 HG2 GLU A 132 7.156 -1.995 14.657 1.00 23.40 H new ATOM 0 HG3 GLU A 132 6.513 -0.465 14.092 1.00 23.40 H new ATOM 721 N PHE A 133 9.522 -2.661 11.261 1.00 41.43 N ATOM 722 CA PHE A 133 10.331 -3.677 10.599 1.00 50.14 C ATOM 723 C PHE A 133 10.315 -4.983 11.387 1.00 11.44 C ATOM 724 O PHE A 133 10.798 -5.045 12.519 1.00 52.15 O ATOM 725 CB PHE A 133 11.770 -3.185 10.434 1.00 61.22 C ATOM 726 CG PHE A 133 12.271 -3.260 9.020 1.00 75.15 C ATOM 727 CD1 PHE A 133 12.183 -4.442 8.301 1.00 5.13 C ATOM 728 CD2 PHE A 133 12.828 -2.148 8.407 1.00 31.21 C ATOM 729 CE1 PHE A 133 12.644 -4.514 7.000 1.00 62.31 C ATOM 730 CE2 PHE A 133 13.289 -2.214 7.106 1.00 23.51 C ATOM 731 CZ PHE A 133 13.196 -3.399 6.402 1.00 51.35 C ATOM 0 H PHE A 133 10.047 -2.037 11.873 1.00 41.43 H new ATOM 0 HA PHE A 133 9.903 -3.862 9.614 1.00 50.14 H new ATOM 0 HB2 PHE A 133 11.835 -2.153 10.780 1.00 61.22 H new ATOM 0 HB3 PHE A 133 12.424 -3.777 11.074 1.00 61.22 H new ATOM 0 HD1 PHE A 133 11.749 -5.317 8.763 1.00 5.13 H new ATOM 0 HD2 PHE A 133 12.902 -1.219 8.953 1.00 31.21 H new ATOM 0 HE1 PHE A 133 12.572 -5.442 6.452 1.00 62.31 H new ATOM 0 HE2 PHE A 133 13.721 -1.341 6.640 1.00 23.51 H new ATOM 0 HZ PHE A 133 13.555 -3.453 5.385 1.00 51.35 H new ATOM 741 N VAL A 134 9.757 -6.026 10.781 1.00 12.05 N ATOM 742 CA VAL A 134 9.678 -7.332 11.425 1.00 51.42 C ATOM 743 C VAL A 134 10.962 -8.126 11.217 1.00 61.14 C ATOM 744 O VAL A 134 11.916 -7.636 10.611 1.00 53.43 O ATOM 745 CB VAL A 134 8.488 -8.151 10.890 1.00 41.23 C ATOM 746 CG1 VAL A 134 7.171 -7.510 11.298 1.00 4.35 C ATOM 747 CG2 VAL A 134 8.576 -8.290 9.377 1.00 23.22 C ATOM 0 H VAL A 134 9.353 -5.992 9.845 1.00 12.05 H new ATOM 0 HA VAL A 134 9.535 -7.151 12.490 1.00 51.42 H new ATOM 0 HB VAL A 134 8.530 -9.148 11.328 1.00 41.23 H new ATOM 0 HG11 VAL A 134 6.342 -8.103 10.911 1.00 4.35 H new ATOM 0 HG12 VAL A 134 7.109 -7.466 12.385 1.00 4.35 H new ATOM 0 HG13 VAL A 134 7.116 -6.500 10.891 1.00 4.35 H new ATOM 0 HG21 VAL A 134 7.728 -8.871 9.015 1.00 23.22 H new ATOM 0 HG22 VAL A 134 8.560 -7.301 8.919 1.00 23.22 H new ATOM 0 HG23 VAL A 134 9.503 -8.798 9.112 1.00 23.22 H new ATOM 757 N ASP A 135 10.981 -9.355 11.720 1.00 14.05 N ATOM 758 CA ASP A 135 12.148 -10.219 11.589 1.00 73.22 C ATOM 759 C ASP A 135 12.580 -10.329 10.130 1.00 75.35 C ATOM 760 O ASP A 135 13.761 -10.514 9.833 1.00 14.42 O ATOM 761 CB ASP A 135 11.846 -11.609 12.150 1.00 23.01 C ATOM 762 CG ASP A 135 12.529 -11.856 13.481 1.00 15.14 C ATOM 763 OD1 ASP A 135 13.710 -12.261 13.477 1.00 74.51 O ATOM 764 OD2 ASP A 135 11.881 -11.644 14.527 1.00 11.25 O ATOM 0 H ASP A 135 10.200 -9.776 12.223 1.00 14.05 H new ATOM 0 HA ASP A 135 12.964 -9.775 12.159 1.00 73.22 H new ATOM 0 HB2 ASP A 135 10.769 -11.723 12.271 1.00 23.01 H new ATOM 0 HB3 ASP A 135 12.168 -12.365 11.434 1.00 23.01 H new ATOM 769 N ASP A 136 11.616 -10.216 9.222 1.00 15.44 N ATOM 770 CA ASP A 136 11.896 -10.303 7.793 1.00 14.43 C ATOM 771 C ASP A 136 10.733 -9.748 6.978 1.00 61.14 C ATOM 772 O ASP A 136 9.787 -10.467 6.659 1.00 72.30 O ATOM 773 CB ASP A 136 12.171 -11.753 7.393 1.00 11.35 C ATOM 774 CG ASP A 136 13.569 -11.945 6.840 1.00 40.32 C ATOM 775 OD1 ASP A 136 13.794 -11.600 5.660 1.00 33.43 O ATOM 776 OD2 ASP A 136 14.439 -12.440 7.586 1.00 3.45 O ATOM 0 H ASP A 136 10.634 -10.064 9.450 1.00 15.44 H new ATOM 0 HA ASP A 136 12.782 -9.703 7.583 1.00 14.43 H new ATOM 0 HB2 ASP A 136 12.035 -12.398 8.261 1.00 11.35 H new ATOM 0 HB3 ASP A 136 11.442 -12.065 6.646 1.00 11.35 H new ATOM 781 N GLY A 137 10.810 -8.464 6.642 1.00 45.13 N ATOM 782 CA GLY A 137 9.757 -7.834 5.866 1.00 21.44 C ATOM 783 C GLY A 137 9.262 -6.549 6.498 1.00 73.41 C ATOM 784 O GLY A 137 9.724 -6.156 7.569 1.00 14.35 O ATOM 0 H GLY A 137 11.583 -7.848 6.893 1.00 45.13 H new ATOM 0 HA2 GLY A 137 10.126 -7.623 4.862 1.00 21.44 H new ATOM 0 HA3 GLY A 137 8.923 -8.528 5.760 1.00 21.44 H new ATOM 788 N THR A 138 8.319 -5.889 5.831 1.00 35.53 N ATOM 789 CA THR A 138 7.761 -4.640 6.333 1.00 40.14 C ATOM 790 C THR A 138 6.241 -4.630 6.217 1.00 2.10 C ATOM 791 O THR A 138 5.689 -4.942 5.163 1.00 70.11 O ATOM 792 CB THR A 138 8.331 -3.427 5.572 1.00 2.33 C ATOM 793 OG1 THR A 138 9.381 -3.847 4.695 1.00 64.40 O ATOM 794 CG2 THR A 138 8.860 -2.381 6.542 1.00 62.04 C ATOM 0 H THR A 138 7.926 -6.199 4.942 1.00 35.53 H new ATOM 0 HA THR A 138 8.042 -4.567 7.384 1.00 40.14 H new ATOM 0 HB THR A 138 7.527 -2.983 4.986 1.00 2.33 H new ATOM 0 HG1 THR A 138 9.736 -3.070 4.214 1.00 64.40 H new ATOM 0 HG21 THR A 138 9.257 -1.534 5.983 1.00 62.04 H new ATOM 0 HG22 THR A 138 8.050 -2.041 7.188 1.00 62.04 H new ATOM 0 HG23 THR A 138 9.652 -2.817 7.151 1.00 62.04 H new ATOM 802 N GLU A 139 5.572 -4.268 7.307 1.00 32.33 N ATOM 803 CA GLU A 139 4.115 -4.218 7.326 1.00 12.22 C ATOM 804 C GLU A 139 3.622 -2.788 7.530 1.00 41.42 C ATOM 805 O GLU A 139 3.538 -2.303 8.659 1.00 72.01 O ATOM 806 CB GLU A 139 3.566 -5.121 8.433 1.00 51.01 C ATOM 807 CG GLU A 139 4.259 -6.470 8.518 1.00 65.11 C ATOM 808 CD GLU A 139 3.728 -7.329 9.649 1.00 11.21 C ATOM 809 OE1 GLU A 139 3.838 -6.903 10.818 1.00 42.13 O ATOM 810 OE2 GLU A 139 3.203 -8.426 9.366 1.00 11.55 O ATOM 0 H GLU A 139 6.015 -4.005 8.187 1.00 32.33 H new ATOM 0 HA GLU A 139 3.752 -4.575 6.362 1.00 12.22 H new ATOM 0 HB2 GLU A 139 3.666 -4.610 9.390 1.00 51.01 H new ATOM 0 HB3 GLU A 139 2.501 -5.279 8.266 1.00 51.01 H new ATOM 0 HG2 GLU A 139 4.132 -7.000 7.574 1.00 65.11 H new ATOM 0 HG3 GLU A 139 5.329 -6.316 8.655 1.00 65.11 H new ATOM 817 N THR A 140 3.299 -2.118 6.429 1.00 1.41 N ATOM 818 CA THR A 140 2.816 -0.743 6.484 1.00 25.45 C ATOM 819 C THR A 140 1.358 -0.690 6.922 1.00 12.34 C ATOM 820 O THR A 140 0.461 -1.092 6.179 1.00 1.41 O ATOM 821 CB THR A 140 2.958 -0.042 5.120 1.00 33.33 C ATOM 822 OG1 THR A 140 3.405 -0.978 4.133 1.00 10.34 O ATOM 823 CG2 THR A 140 3.937 1.119 5.207 1.00 33.11 C ATOM 0 H THR A 140 3.363 -2.505 5.487 1.00 1.41 H new ATOM 0 HA THR A 140 3.431 -0.221 7.217 1.00 25.45 H new ATOM 0 HB THR A 140 1.982 0.349 4.833 1.00 33.33 H new ATOM 0 HG1 THR A 140 2.700 -1.638 3.965 1.00 10.34 H new ATOM 0 HG21 THR A 140 4.021 1.598 4.232 1.00 33.11 H new ATOM 0 HG22 THR A 140 3.578 1.844 5.938 1.00 33.11 H new ATOM 0 HG23 THR A 140 4.915 0.748 5.514 1.00 33.11 H new ATOM 831 N HIS A 141 1.125 -0.191 8.133 1.00 62.33 N ATOM 832 CA HIS A 141 -0.227 -0.084 8.669 1.00 74.02 C ATOM 833 C HIS A 141 -0.693 1.369 8.682 1.00 21.10 C ATOM 834 O HIS A 141 -0.275 2.158 9.529 1.00 43.14 O ATOM 835 CB HIS A 141 -0.286 -0.663 10.082 1.00 72.33 C ATOM 836 CG HIS A 141 0.290 -2.043 10.189 1.00 51.40 C ATOM 837 ND1 HIS A 141 -0.362 -3.168 9.730 1.00 50.44 N ATOM 838 CD2 HIS A 141 1.464 -2.474 10.705 1.00 65.12 C ATOM 839 CE1 HIS A 141 0.386 -4.232 9.960 1.00 50.21 C ATOM 840 NE2 HIS A 141 1.499 -3.839 10.550 1.00 44.44 N ATOM 0 H HIS A 141 1.855 0.145 8.761 1.00 62.33 H new ATOM 0 HA HIS A 141 -0.893 -0.655 8.023 1.00 74.02 H new ATOM 0 HB2 HIS A 141 0.252 -0.000 10.760 1.00 72.33 H new ATOM 0 HB3 HIS A 141 -1.324 -0.685 10.414 1.00 72.33 H new ATOM 0 HD1 HIS A 141 -1.279 -3.177 9.283 1.00 50.44 H new ATOM 0 HD2 HIS A 141 2.230 -1.860 11.155 1.00 65.12 H new ATOM 0 HE1 HIS A 141 0.130 -5.251 9.708 1.00 50.21 H new ATOM 848 N PHE A 142 -1.561 1.715 7.738 1.00 75.05 N ATOM 849 CA PHE A 142 -2.082 3.073 7.639 1.00 55.10 C ATOM 850 C PHE A 142 -3.608 3.073 7.668 1.00 0.42 C ATOM 851 O PHE A 142 -4.237 2.030 7.839 1.00 33.34 O ATOM 852 CB PHE A 142 -1.586 3.742 6.356 1.00 41.22 C ATOM 853 CG PHE A 142 -1.725 2.875 5.136 1.00 51.43 C ATOM 854 CD1 PHE A 142 -2.976 2.503 4.675 1.00 75.25 C ATOM 855 CD2 PHE A 142 -0.604 2.434 4.452 1.00 44.42 C ATOM 856 CE1 PHE A 142 -3.108 1.706 3.552 1.00 62.20 C ATOM 857 CE2 PHE A 142 -0.729 1.638 3.330 1.00 41.21 C ATOM 858 CZ PHE A 142 -1.982 1.273 2.879 1.00 23.24 C ATOM 0 H PHE A 142 -1.919 1.074 7.030 1.00 75.05 H new ATOM 0 HA PHE A 142 -1.719 3.637 8.498 1.00 55.10 H new ATOM 0 HB2 PHE A 142 -2.141 4.667 6.200 1.00 41.22 H new ATOM 0 HB3 PHE A 142 -0.538 4.016 6.480 1.00 41.22 H new ATOM 0 HD1 PHE A 142 -3.859 2.839 5.198 1.00 75.25 H new ATOM 0 HD2 PHE A 142 0.379 2.716 4.800 1.00 44.42 H new ATOM 0 HE1 PHE A 142 -4.090 1.423 3.202 1.00 62.20 H new ATOM 0 HE2 PHE A 142 0.153 1.301 2.806 1.00 41.21 H new ATOM 0 HZ PHE A 142 -2.081 0.650 2.002 1.00 23.24 H new ATOM 868 N SER A 143 -4.197 4.254 7.500 1.00 20.33 N ATOM 869 CA SER A 143 -5.649 4.392 7.511 1.00 32.51 C ATOM 870 C SER A 143 -6.093 5.530 6.597 1.00 75.31 C ATOM 871 O SER A 143 -5.302 6.406 6.247 1.00 10.15 O ATOM 872 CB SER A 143 -6.147 4.643 8.936 1.00 42.22 C ATOM 873 OG SER A 143 -5.512 5.774 9.507 1.00 42.12 O ATOM 0 H SER A 143 -3.691 5.128 7.355 1.00 20.33 H new ATOM 0 HA SER A 143 -6.081 3.462 7.141 1.00 32.51 H new ATOM 0 HB2 SER A 143 -7.226 4.795 8.926 1.00 42.22 H new ATOM 0 HB3 SER A 143 -5.954 3.764 9.552 1.00 42.22 H new ATOM 0 HG SER A 143 -5.849 5.914 10.417 1.00 42.12 H new ATOM 879 N VAL A 144 -7.365 5.509 6.212 1.00 31.34 N ATOM 880 CA VAL A 144 -7.917 6.538 5.339 1.00 33.10 C ATOM 881 C VAL A 144 -9.276 7.014 5.841 1.00 43.02 C ATOM 882 O VAL A 144 -10.299 6.380 5.588 1.00 12.22 O ATOM 883 CB VAL A 144 -8.066 6.027 3.894 1.00 32.13 C ATOM 884 CG1 VAL A 144 -8.710 7.090 3.016 1.00 32.33 C ATOM 885 CG2 VAL A 144 -6.714 5.609 3.335 1.00 32.32 C ATOM 0 H VAL A 144 -8.033 4.790 6.491 1.00 31.34 H new ATOM 0 HA VAL A 144 -7.216 7.373 5.351 1.00 33.10 H new ATOM 0 HB VAL A 144 -8.717 5.152 3.901 1.00 32.13 H new ATOM 0 HG11 VAL A 144 -8.807 6.711 1.998 1.00 32.33 H new ATOM 0 HG12 VAL A 144 -9.697 7.336 3.408 1.00 32.33 H new ATOM 0 HG13 VAL A 144 -8.088 7.985 3.012 1.00 32.33 H new ATOM 0 HG21 VAL A 144 -6.838 5.250 2.313 1.00 32.32 H new ATOM 0 HG22 VAL A 144 -6.038 6.464 3.340 1.00 32.32 H new ATOM 0 HG23 VAL A 144 -6.296 4.813 3.951 1.00 32.32 H new ATOM 895 N GLY A 145 -9.278 8.136 6.555 1.00 63.24 N ATOM 896 CA GLY A 145 -10.516 8.678 7.081 1.00 51.33 C ATOM 897 C GLY A 145 -11.283 7.671 7.913 1.00 30.52 C ATOM 898 O GLY A 145 -10.833 7.273 8.988 1.00 53.15 O ATOM 0 H GLY A 145 -8.444 8.679 6.778 1.00 63.24 H new ATOM 0 HA2 GLY A 145 -10.295 9.555 7.690 1.00 51.33 H new ATOM 0 HA3 GLY A 145 -11.142 9.014 6.254 1.00 51.33 H new ATOM 902 N ASN A 146 -12.445 7.258 7.418 1.00 22.13 N ATOM 903 CA ASN A 146 -13.278 6.291 8.125 1.00 1.55 C ATOM 904 C ASN A 146 -13.157 4.907 7.497 1.00 53.01 C ATOM 905 O ASN A 146 -14.067 4.083 7.605 1.00 23.04 O ATOM 906 CB ASN A 146 -14.739 6.743 8.117 1.00 35.23 C ATOM 907 CG ASN A 146 -15.316 6.862 9.515 1.00 34.41 C ATOM 908 OD1 ASN A 146 -15.516 5.860 10.203 1.00 44.13 O ATOM 909 ND2 ASN A 146 -15.587 8.090 9.941 1.00 33.31 N ATOM 0 H ASN A 146 -12.832 7.578 6.530 1.00 22.13 H new ATOM 0 HA ASN A 146 -12.929 6.233 9.156 1.00 1.55 H new ATOM 0 HB2 ASN A 146 -14.816 7.706 7.612 1.00 35.23 H new ATOM 0 HB3 ASN A 146 -15.333 6.033 7.541 1.00 35.23 H new ATOM 0 HD21 ASN A 146 -15.977 8.232 10.873 1.00 33.31 H new ATOM 0 HD22 ASN A 146 -15.405 8.891 9.337 1.00 33.31 H new ATOM 916 N HIS A 147 -12.029 4.657 6.841 1.00 63.43 N ATOM 917 CA HIS A 147 -11.789 3.371 6.195 1.00 14.14 C ATOM 918 C HIS A 147 -10.689 2.598 6.916 1.00 40.21 C ATOM 919 O HIS A 147 -10.253 2.985 8.000 1.00 71.12 O ATOM 920 CB HIS A 147 -11.408 3.576 4.728 1.00 31.25 C ATOM 921 CG HIS A 147 -12.392 4.408 3.964 1.00 5.24 C ATOM 922 ND1 HIS A 147 -13.757 4.265 4.092 1.00 63.13 N ATOM 923 CD2 HIS A 147 -12.200 5.398 3.062 1.00 10.04 C ATOM 924 CE1 HIS A 147 -14.363 5.131 3.299 1.00 62.34 C ATOM 925 NE2 HIS A 147 -13.441 5.831 2.663 1.00 63.41 N ATOM 0 H HIS A 147 -11.267 5.327 6.742 1.00 63.43 H new ATOM 0 HA HIS A 147 -12.710 2.790 6.245 1.00 14.14 H new ATOM 0 HB2 HIS A 147 -10.428 4.050 4.679 1.00 31.25 H new ATOM 0 HB3 HIS A 147 -11.316 2.603 4.246 1.00 31.25 H new ATOM 0 HD2 HIS A 147 -11.248 5.777 2.720 1.00 10.04 H new ATOM 0 HE1 HIS A 147 -15.431 5.247 3.189 1.00 62.34 H new ATOM 0 HE2 HIS A 147 -13.621 6.572 1.986 1.00 63.41 H new ATOM 933 N ASP A 148 -10.244 1.504 6.307 1.00 15.13 N ATOM 934 CA ASP A 148 -9.195 0.676 6.891 1.00 42.44 C ATOM 935 C ASP A 148 -8.442 -0.090 5.807 1.00 12.15 C ATOM 936 O ASP A 148 -8.969 -1.038 5.224 1.00 12.45 O ATOM 937 CB ASP A 148 -9.791 -0.301 7.904 1.00 21.42 C ATOM 938 CG ASP A 148 -8.846 -0.593 9.052 1.00 21.22 C ATOM 939 OD1 ASP A 148 -7.635 -0.763 8.796 1.00 1.50 O ATOM 940 OD2 ASP A 148 -9.316 -0.651 10.208 1.00 62.14 O ATOM 0 H ASP A 148 -10.594 1.170 5.409 1.00 15.13 H new ATOM 0 HA ASP A 148 -8.491 1.332 7.403 1.00 42.44 H new ATOM 0 HB2 ASP A 148 -10.720 0.111 8.298 1.00 21.42 H new ATOM 0 HB3 ASP A 148 -10.044 -1.233 7.399 1.00 21.42 H new ATOM 945 N CYS A 149 -7.209 0.328 5.543 1.00 20.35 N ATOM 946 CA CYS A 149 -6.384 -0.318 4.529 1.00 64.21 C ATOM 947 C CYS A 149 -4.925 -0.372 4.968 1.00 45.31 C ATOM 948 O CYS A 149 -4.509 0.362 5.866 1.00 25.42 O ATOM 949 CB CYS A 149 -6.502 0.425 3.197 1.00 22.30 C ATOM 950 SG CYS A 149 -6.730 2.210 3.366 1.00 43.23 S ATOM 0 H CYS A 149 -6.759 1.111 6.017 1.00 20.35 H new ATOM 0 HA CYS A 149 -6.743 -1.339 4.400 1.00 64.21 H new ATOM 0 HB2 CYS A 149 -5.604 0.238 2.608 1.00 22.30 H new ATOM 0 HB3 CYS A 149 -7.342 0.014 2.637 1.00 22.30 H new ATOM 0 HG CYS A 149 -5.570 2.789 3.461 1.00 43.23 H new ATOM 956 N TYR A 150 -4.152 -1.244 4.331 1.00 2.01 N ATOM 957 CA TYR A 150 -2.739 -1.396 4.659 1.00 54.04 C ATOM 958 C TYR A 150 -1.980 -2.045 3.506 1.00 70.54 C ATOM 959 O TYR A 150 -2.535 -2.849 2.756 1.00 53.51 O ATOM 960 CB TYR A 150 -2.576 -2.234 5.927 1.00 0.44 C ATOM 961 CG TYR A 150 -2.863 -3.705 5.724 1.00 43.23 C ATOM 962 CD1 TYR A 150 -4.169 -4.176 5.668 1.00 32.32 C ATOM 963 CD2 TYR A 150 -1.829 -4.622 5.589 1.00 51.30 C ATOM 964 CE1 TYR A 150 -4.436 -5.518 5.483 1.00 32.41 C ATOM 965 CE2 TYR A 150 -2.087 -5.967 5.401 1.00 2.43 C ATOM 966 CZ TYR A 150 -3.392 -6.410 5.350 1.00 44.35 C ATOM 967 OH TYR A 150 -3.653 -7.748 5.165 1.00 42.10 O ATOM 0 H TYR A 150 -4.480 -1.857 3.584 1.00 2.01 H new ATOM 0 HA TYR A 150 -2.323 -0.403 4.832 1.00 54.04 H new ATOM 0 HB2 TYR A 150 -1.558 -2.119 6.299 1.00 0.44 H new ATOM 0 HB3 TYR A 150 -3.243 -1.846 6.697 1.00 0.44 H new ATOM 0 HD1 TYR A 150 -4.989 -3.481 5.771 1.00 32.32 H new ATOM 0 HD2 TYR A 150 -0.806 -4.279 5.632 1.00 51.30 H new ATOM 0 HE1 TYR A 150 -5.457 -5.868 5.443 1.00 32.41 H new ATOM 0 HE2 TYR A 150 -1.271 -6.667 5.295 1.00 2.43 H new ATOM 0 HH TYR A 150 -2.808 -8.239 5.089 1.00 42.10 H new ATOM 977 N ILE A 151 -0.706 -1.692 3.372 1.00 23.30 N ATOM 978 CA ILE A 151 0.132 -2.242 2.313 1.00 50.35 C ATOM 979 C ILE A 151 1.003 -3.379 2.835 1.00 74.34 C ATOM 980 O ILE A 151 1.891 -3.168 3.660 1.00 5.11 O ATOM 981 CB ILE A 151 1.037 -1.161 1.693 1.00 53.51 C ATOM 982 CG1 ILE A 151 0.291 -0.413 0.586 1.00 22.34 C ATOM 983 CG2 ILE A 151 2.314 -1.785 1.151 1.00 35.23 C ATOM 984 CD1 ILE A 151 0.903 0.927 0.243 1.00 11.21 C ATOM 0 H ILE A 151 -0.231 -1.028 3.983 1.00 23.30 H new ATOM 0 HA ILE A 151 -0.541 -2.626 1.546 1.00 50.35 H new ATOM 0 HB ILE A 151 1.307 -0.446 2.470 1.00 53.51 H new ATOM 0 HG12 ILE A 151 0.270 -1.034 -0.310 1.00 22.34 H new ATOM 0 HG13 ILE A 151 -0.744 -0.262 0.894 1.00 22.34 H new ATOM 0 HG21 ILE A 151 2.943 -1.008 0.716 1.00 35.23 H new ATOM 0 HG22 ILE A 151 2.852 -2.275 1.962 1.00 35.23 H new ATOM 0 HG23 ILE A 151 2.064 -2.520 0.386 1.00 35.23 H new ATOM 0 HD11 ILE A 151 0.322 1.400 -0.549 1.00 11.21 H new ATOM 0 HD12 ILE A 151 0.900 1.565 1.126 1.00 11.21 H new ATOM 0 HD13 ILE A 151 1.929 0.782 -0.096 1.00 11.21 H new ATOM 996 N LYS A 152 0.742 -4.588 2.346 1.00 42.33 N ATOM 997 CA LYS A 152 1.504 -5.760 2.760 1.00 74.23 C ATOM 998 C LYS A 152 2.820 -5.852 1.995 1.00 55.05 C ATOM 999 O LYS A 152 2.847 -6.257 0.833 1.00 34.21 O ATOM 1000 CB LYS A 152 0.682 -7.032 2.536 1.00 14.12 C ATOM 1001 CG LYS A 152 0.621 -7.939 3.753 1.00 15.24 C ATOM 1002 CD LYS A 152 1.178 -9.319 3.449 1.00 11.44 C ATOM 1003 CE LYS A 152 0.584 -10.375 4.368 1.00 3.22 C ATOM 1004 NZ LYS A 152 1.370 -11.640 4.341 1.00 14.22 N ATOM 0 H LYS A 152 0.009 -4.781 1.663 1.00 42.33 H new ATOM 0 HA LYS A 152 1.728 -5.660 3.822 1.00 74.23 H new ATOM 0 HB2 LYS A 152 -0.332 -6.753 2.250 1.00 14.12 H new ATOM 0 HB3 LYS A 152 1.108 -7.587 1.700 1.00 14.12 H new ATOM 0 HG2 LYS A 152 1.185 -7.490 4.571 1.00 15.24 H new ATOM 0 HG3 LYS A 152 -0.412 -8.029 4.090 1.00 15.24 H new ATOM 0 HD2 LYS A 152 0.966 -9.577 2.411 1.00 11.44 H new ATOM 0 HD3 LYS A 152 2.262 -9.307 3.560 1.00 11.44 H new ATOM 0 HE2 LYS A 152 0.549 -9.991 5.388 1.00 3.22 H new ATOM 0 HE3 LYS A 152 -0.444 -10.580 4.069 1.00 3.22 H new ATOM 0 HZ1 LYS A 152 0.933 -12.334 4.980 1.00 14.22 H new ATOM 0 HZ2 LYS A 152 1.382 -12.020 3.373 1.00 14.22 H new ATOM 0 HZ3 LYS A 152 2.344 -11.450 4.651 1.00 14.22 H new ATOM 1018 N ALA A 153 3.910 -5.475 2.654 1.00 22.14 N ATOM 1019 CA ALA A 153 5.229 -5.519 2.037 1.00 64.00 C ATOM 1020 C ALA A 153 6.005 -6.752 2.487 1.00 23.10 C ATOM 1021 O ALA A 153 5.878 -7.196 3.628 1.00 71.33 O ATOM 1022 CB ALA A 153 6.009 -4.253 2.366 1.00 33.44 C ATOM 0 H ALA A 153 3.905 -5.135 3.616 1.00 22.14 H new ATOM 0 HA ALA A 153 5.095 -5.580 0.957 1.00 64.00 H new ATOM 0 HB1 ALA A 153 6.993 -4.300 1.898 1.00 33.44 H new ATOM 0 HB2 ALA A 153 5.469 -3.385 1.989 1.00 33.44 H new ATOM 0 HB3 ALA A 153 6.125 -4.167 3.446 1.00 33.44 H new ATOM 1028 N VAL A 154 6.810 -7.302 1.582 1.00 2.25 N ATOM 1029 CA VAL A 154 7.607 -8.484 1.886 1.00 4.10 C ATOM 1030 C VAL A 154 8.956 -8.435 1.177 1.00 35.14 C ATOM 1031 O VAL A 154 9.032 -8.129 -0.013 1.00 62.23 O ATOM 1032 CB VAL A 154 6.873 -9.776 1.480 1.00 15.33 C ATOM 1033 CG1 VAL A 154 7.623 -10.998 1.987 1.00 74.51 C ATOM 1034 CG2 VAL A 154 5.444 -9.762 2.002 1.00 41.32 C ATOM 0 H VAL A 154 6.927 -6.947 0.633 1.00 2.25 H new ATOM 0 HA VAL A 154 7.766 -8.489 2.964 1.00 4.10 H new ATOM 0 HB VAL A 154 6.838 -9.827 0.392 1.00 15.33 H new ATOM 0 HG11 VAL A 154 7.090 -11.901 1.691 1.00 74.51 H new ATOM 0 HG12 VAL A 154 8.626 -11.012 1.560 1.00 74.51 H new ATOM 0 HG13 VAL A 154 7.692 -10.958 3.074 1.00 74.51 H new ATOM 0 HG21 VAL A 154 4.940 -10.682 1.706 1.00 41.32 H new ATOM 0 HG22 VAL A 154 5.455 -9.687 3.089 1.00 41.32 H new ATOM 0 HG23 VAL A 154 4.913 -8.907 1.585 1.00 41.32 H new ATOM 1044 N SER A 155 10.018 -8.738 1.916 1.00 64.45 N ATOM 1045 CA SER A 155 11.365 -8.725 1.359 1.00 64.04 C ATOM 1046 C SER A 155 11.871 -10.146 1.125 1.00 13.55 C ATOM 1047 O SER A 155 11.797 -10.996 2.012 1.00 55.02 O ATOM 1048 CB SER A 155 12.320 -7.980 2.294 1.00 53.32 C ATOM 1049 OG SER A 155 13.038 -8.884 3.115 1.00 21.04 O ATOM 0 H SER A 155 9.972 -8.995 2.902 1.00 64.45 H new ATOM 0 HA SER A 155 11.329 -8.208 0.400 1.00 64.04 H new ATOM 0 HB2 SER A 155 13.018 -7.384 1.706 1.00 53.32 H new ATOM 0 HB3 SER A 155 11.756 -7.287 2.918 1.00 53.32 H new ATOM 0 HG SER A 155 13.642 -8.383 3.702 1.00 21.04 H new ATOM 1055 N SER A 156 12.384 -10.395 -0.076 1.00 11.02 N ATOM 1056 CA SER A 156 12.897 -11.713 -0.428 1.00 62.03 C ATOM 1057 C SER A 156 14.125 -11.595 -1.327 1.00 51.31 C ATOM 1058 O SER A 156 14.266 -10.634 -2.081 1.00 51.35 O ATOM 1059 CB SER A 156 11.815 -12.534 -1.131 1.00 64.12 C ATOM 1060 OG SER A 156 11.378 -11.894 -2.318 1.00 21.01 O ATOM 0 H SER A 156 12.455 -9.702 -0.821 1.00 11.02 H new ATOM 0 HA SER A 156 13.188 -12.220 0.492 1.00 62.03 H new ATOM 0 HB2 SER A 156 12.203 -13.524 -1.370 1.00 64.12 H new ATOM 0 HB3 SER A 156 10.969 -12.677 -0.459 1.00 64.12 H new ATOM 0 HG SER A 156 10.688 -12.440 -2.749 1.00 21.01 H new ATOM 1066 N GLY A 157 15.013 -12.581 -1.238 1.00 55.34 N ATOM 1067 CA GLY A 157 16.217 -12.569 -2.048 1.00 42.24 C ATOM 1068 C GLY A 157 17.471 -12.793 -1.225 1.00 13.33 C ATOM 1069 O GLY A 157 17.422 -12.800 0.005 1.00 21.44 O ATOM 0 H GLY A 157 14.920 -13.387 -0.620 1.00 55.34 H new ATOM 0 HA2 GLY A 157 16.145 -13.343 -2.813 1.00 42.24 H new ATOM 0 HA3 GLY A 157 16.293 -11.614 -2.567 1.00 42.24 H new ATOM 1073 N LYS A 158 18.598 -12.976 -1.905 1.00 33.25 N ATOM 1074 CA LYS A 158 19.870 -13.201 -1.229 1.00 43.05 C ATOM 1075 C LYS A 158 20.271 -11.984 -0.403 1.00 52.54 C ATOM 1076 O LYS A 158 20.880 -11.045 -0.918 1.00 63.10 O ATOM 1077 CB LYS A 158 20.964 -13.519 -2.252 1.00 64.31 C ATOM 1078 CG LYS A 158 21.028 -14.987 -2.638 1.00 55.04 C ATOM 1079 CD LYS A 158 21.981 -15.217 -3.800 1.00 14.25 C ATOM 1080 CE LYS A 158 21.871 -16.635 -4.338 1.00 40.13 C ATOM 1081 NZ LYS A 158 20.508 -16.926 -4.864 1.00 2.24 N ATOM 0 H LYS A 158 18.656 -12.973 -2.923 1.00 33.25 H new ATOM 0 HA LYS A 158 19.750 -14.050 -0.556 1.00 43.05 H new ATOM 0 HB2 LYS A 158 20.795 -12.923 -3.149 1.00 64.31 H new ATOM 0 HB3 LYS A 158 21.929 -13.217 -1.845 1.00 64.31 H new ATOM 0 HG2 LYS A 158 21.351 -15.576 -1.780 1.00 55.04 H new ATOM 0 HG3 LYS A 158 20.032 -15.337 -2.909 1.00 55.04 H new ATOM 0 HD2 LYS A 158 21.763 -14.506 -4.597 1.00 14.25 H new ATOM 0 HD3 LYS A 158 23.004 -15.028 -3.476 1.00 14.25 H new ATOM 0 HE2 LYS A 158 22.605 -16.780 -5.131 1.00 40.13 H new ATOM 0 HE3 LYS A 158 22.113 -17.344 -3.546 1.00 40.13 H new ATOM 0 HZ1 LYS A 158 20.554 -17.729 -5.523 1.00 2.24 H new ATOM 0 HZ2 LYS A 158 19.874 -17.163 -4.074 1.00 2.24 H new ATOM 0 HZ3 LYS A 158 20.142 -16.090 -5.362 1.00 2.24 H new ATOM 1095 N ARG A 159 19.927 -12.006 0.880 1.00 1.44 N ATOM 1096 CA ARG A 159 20.251 -10.904 1.778 1.00 73.11 C ATOM 1097 C ARG A 159 19.555 -9.620 1.335 1.00 3.52 C ATOM 1098 O ARG A 159 20.207 -8.622 1.026 1.00 55.04 O ATOM 1099 CB ARG A 159 21.764 -10.686 1.826 1.00 43.20 C ATOM 1100 CG ARG A 159 22.557 -11.963 2.047 1.00 62.24 C ATOM 1101 CD ARG A 159 23.802 -11.710 2.883 1.00 70.11 C ATOM 1102 NE ARG A 159 24.861 -12.671 2.592 1.00 64.23 N ATOM 1103 CZ ARG A 159 24.898 -13.899 3.095 1.00 25.41 C ATOM 1104 NH1 ARG A 159 23.938 -14.315 3.910 1.00 5.20 N ATOM 1105 NH2 ARG A 159 25.896 -14.717 2.783 1.00 23.01 N ATOM 0 H ARG A 159 19.424 -12.775 1.322 1.00 1.44 H new ATOM 0 HA ARG A 159 19.896 -11.164 2.775 1.00 73.11 H new ATOM 0 HB2 ARG A 159 22.086 -10.226 0.892 1.00 43.20 H new ATOM 0 HB3 ARG A 159 21.996 -9.982 2.625 1.00 43.20 H new ATOM 0 HG2 ARG A 159 21.928 -12.701 2.544 1.00 62.24 H new ATOM 0 HG3 ARG A 159 22.844 -12.385 1.084 1.00 62.24 H new ATOM 0 HD2 ARG A 159 24.167 -10.700 2.694 1.00 70.11 H new ATOM 0 HD3 ARG A 159 23.545 -11.763 3.941 1.00 70.11 H new ATOM 0 HE ARG A 159 25.614 -12.383 1.968 1.00 64.23 H new ATOM 0 HH11 ARG A 159 23.168 -13.691 4.152 1.00 5.20 H new ATOM 0 HH12 ARG A 159 23.969 -15.259 4.295 1.00 5.20 H new ATOM 0 HH21 ARG A 159 26.636 -14.402 2.156 1.00 23.01 H new ATOM 0 HH22 ARG A 159 25.923 -15.660 3.171 1.00 23.01 H new ATOM 1119 N LYS A 160 18.227 -9.652 1.307 1.00 74.53 N ATOM 1120 CA LYS A 160 17.441 -8.492 0.903 1.00 72.12 C ATOM 1121 C LYS A 160 17.815 -8.046 -0.507 1.00 10.14 C ATOM 1122 O LYS A 160 18.608 -7.121 -0.684 1.00 22.24 O ATOM 1123 CB LYS A 160 17.653 -7.340 1.888 1.00 14.20 C ATOM 1124 CG LYS A 160 17.167 -7.645 3.294 1.00 0.24 C ATOM 1125 CD LYS A 160 18.302 -8.125 4.183 1.00 20.52 C ATOM 1126 CE LYS A 160 17.897 -8.133 5.650 1.00 73.11 C ATOM 1127 NZ LYS A 160 17.355 -9.456 6.069 1.00 41.31 N ATOM 0 H LYS A 160 17.672 -10.470 1.560 1.00 74.53 H new ATOM 0 HA LYS A 160 16.389 -8.777 0.907 1.00 72.12 H new ATOM 0 HB2 LYS A 160 18.714 -7.095 1.925 1.00 14.20 H new ATOM 0 HB3 LYS A 160 17.134 -6.456 1.517 1.00 14.20 H new ATOM 0 HG2 LYS A 160 16.717 -6.751 3.727 1.00 0.24 H new ATOM 0 HG3 LYS A 160 16.388 -8.406 3.254 1.00 0.24 H new ATOM 0 HD2 LYS A 160 18.602 -9.129 3.882 1.00 20.52 H new ATOM 0 HD3 LYS A 160 19.170 -7.479 4.048 1.00 20.52 H new ATOM 0 HE2 LYS A 160 18.760 -7.883 6.266 1.00 73.11 H new ATOM 0 HE3 LYS A 160 17.147 -7.362 5.824 1.00 73.11 H new ATOM 0 HZ1 LYS A 160 17.091 -9.420 7.074 1.00 41.31 H new ATOM 0 HZ2 LYS A 160 16.516 -9.684 5.498 1.00 41.31 H new ATOM 0 HZ3 LYS A 160 18.079 -10.189 5.927 1.00 41.31 H new ATOM 1141 N GLU A 161 17.239 -8.707 -1.504 1.00 72.55 N ATOM 1142 CA GLU A 161 17.512 -8.376 -2.898 1.00 63.42 C ATOM 1143 C GLU A 161 16.353 -7.595 -3.510 1.00 14.02 C ATOM 1144 O GLU A 161 16.544 -6.515 -4.069 1.00 70.42 O ATOM 1145 CB GLU A 161 17.765 -9.650 -3.708 1.00 20.54 C ATOM 1146 CG GLU A 161 18.786 -9.472 -4.820 1.00 14.14 C ATOM 1147 CD GLU A 161 19.202 -10.788 -5.446 1.00 55.14 C ATOM 1148 OE1 GLU A 161 18.537 -11.811 -5.174 1.00 53.34 O ATOM 1149 OE2 GLU A 161 20.190 -10.797 -6.208 1.00 65.12 O ATOM 0 H GLU A 161 16.580 -9.475 -1.374 1.00 72.55 H new ATOM 0 HA GLU A 161 18.405 -7.751 -2.927 1.00 63.42 H new ATOM 0 HB2 GLU A 161 18.107 -10.436 -3.035 1.00 20.54 H new ATOM 0 HB3 GLU A 161 16.824 -9.988 -4.141 1.00 20.54 H new ATOM 0 HG2 GLU A 161 18.369 -8.823 -5.590 1.00 14.14 H new ATOM 0 HG3 GLU A 161 19.667 -8.969 -4.422 1.00 14.14 H new ATOM 1156 N GLY A 162 15.149 -8.148 -3.398 1.00 31.32 N ATOM 1157 CA GLY A 162 13.976 -7.491 -3.944 1.00 41.22 C ATOM 1158 C GLY A 162 12.814 -7.475 -2.971 1.00 32.31 C ATOM 1159 O GLY A 162 12.651 -8.399 -2.174 1.00 40.10 O ATOM 0 H GLY A 162 14.965 -9.040 -2.939 1.00 31.32 H new ATOM 0 HA2 GLY A 162 14.231 -6.467 -4.217 1.00 41.22 H new ATOM 0 HA3 GLY A 162 13.672 -7.999 -4.859 1.00 41.22 H new ATOM 1163 N ILE A 163 12.006 -6.423 -3.035 1.00 14.01 N ATOM 1164 CA ILE A 163 10.854 -6.291 -2.152 1.00 15.02 C ATOM 1165 C ILE A 163 9.579 -6.024 -2.947 1.00 3.20 C ATOM 1166 O ILE A 163 9.593 -5.282 -3.929 1.00 12.53 O ATOM 1167 CB ILE A 163 11.054 -5.157 -1.130 1.00 4.35 C ATOM 1168 CG1 ILE A 163 12.344 -5.378 -0.337 1.00 23.03 C ATOM 1169 CG2 ILE A 163 9.858 -5.071 -0.193 1.00 44.21 C ATOM 1170 CD1 ILE A 163 12.636 -4.280 0.661 1.00 2.45 C ATOM 0 H ILE A 163 12.128 -5.650 -3.689 1.00 14.01 H new ATOM 0 HA ILE A 163 10.756 -7.237 -1.619 1.00 15.02 H new ATOM 0 HB ILE A 163 11.137 -4.213 -1.668 1.00 4.35 H new ATOM 0 HG12 ILE A 163 12.278 -6.329 0.191 1.00 23.03 H new ATOM 0 HG13 ILE A 163 13.179 -5.457 -1.033 1.00 23.03 H new ATOM 0 HG21 ILE A 163 10.014 -4.265 0.524 1.00 44.21 H new ATOM 0 HG22 ILE A 163 8.956 -4.872 -0.772 1.00 44.21 H new ATOM 0 HG23 ILE A 163 9.746 -6.014 0.341 1.00 44.21 H new ATOM 0 HD11 ILE A 163 13.565 -4.503 1.186 1.00 2.45 H new ATOM 0 HD12 ILE A 163 12.735 -3.329 0.137 1.00 2.45 H new ATOM 0 HD13 ILE A 163 11.819 -4.215 1.380 1.00 2.45 H new ATOM 1182 N ILE A 164 8.480 -6.633 -2.514 1.00 44.24 N ATOM 1183 CA ILE A 164 7.197 -6.458 -3.184 1.00 52.33 C ATOM 1184 C ILE A 164 6.128 -5.979 -2.207 1.00 45.52 C ATOM 1185 O ILE A 164 6.081 -6.416 -1.058 1.00 71.10 O ATOM 1186 CB ILE A 164 6.724 -7.766 -3.844 1.00 23.21 C ATOM 1187 CG1 ILE A 164 7.768 -8.265 -4.845 1.00 14.53 C ATOM 1188 CG2 ILE A 164 5.381 -7.558 -4.529 1.00 64.34 C ATOM 1189 CD1 ILE A 164 7.552 -9.698 -5.279 1.00 44.14 C ATOM 0 H ILE A 164 8.452 -7.251 -1.703 1.00 44.24 H new ATOM 0 HA ILE A 164 7.344 -5.703 -3.957 1.00 52.33 H new ATOM 0 HB ILE A 164 6.601 -8.523 -3.069 1.00 23.21 H new ATOM 0 HG12 ILE A 164 7.753 -7.621 -5.724 1.00 14.53 H new ATOM 0 HG13 ILE A 164 8.759 -8.174 -4.400 1.00 14.53 H new ATOM 0 HG21 ILE A 164 5.060 -8.492 -4.991 1.00 64.34 H new ATOM 0 HG22 ILE A 164 4.641 -7.244 -3.792 1.00 64.34 H new ATOM 0 HG23 ILE A 164 5.479 -6.789 -5.295 1.00 64.34 H new ATOM 0 HD11 ILE A 164 8.329 -9.984 -5.988 1.00 44.14 H new ATOM 0 HD12 ILE A 164 7.596 -10.352 -4.408 1.00 44.14 H new ATOM 0 HD13 ILE A 164 6.575 -9.791 -5.753 1.00 44.14 H new ATOM 1201 N HIS A 165 5.271 -5.077 -2.674 1.00 14.14 N ATOM 1202 CA HIS A 165 4.200 -4.538 -1.843 1.00 34.44 C ATOM 1203 C HIS A 165 2.833 -4.924 -2.401 1.00 32.12 C ATOM 1204 O HIS A 165 2.636 -4.968 -3.615 1.00 33.03 O ATOM 1205 CB HIS A 165 4.314 -3.017 -1.747 1.00 54.14 C ATOM 1206 CG HIS A 165 5.720 -2.531 -1.573 1.00 70.52 C ATOM 1207 ND1 HIS A 165 6.586 -2.338 -2.629 1.00 12.33 N ATOM 1208 CD2 HIS A 165 6.409 -2.199 -0.457 1.00 44.02 C ATOM 1209 CE1 HIS A 165 7.748 -1.909 -2.170 1.00 14.12 C ATOM 1210 NE2 HIS A 165 7.667 -1.815 -0.854 1.00 73.32 N ATOM 0 H HIS A 165 5.297 -4.704 -3.623 1.00 14.14 H new ATOM 0 HA HIS A 165 4.300 -4.965 -0.845 1.00 34.44 H new ATOM 0 HB2 HIS A 165 3.894 -2.572 -2.649 1.00 54.14 H new ATOM 0 HB3 HIS A 165 3.711 -2.668 -0.908 1.00 54.14 H new ATOM 0 HD2 HIS A 165 6.039 -2.230 0.557 1.00 44.02 H new ATOM 0 HE1 HIS A 165 8.616 -1.675 -2.768 1.00 14.12 H new ATOM 0 HE2 HIS A 165 8.416 -1.507 -0.234 1.00 73.32 H new ATOM 1218 N THR A 166 1.891 -5.204 -1.505 1.00 74.22 N ATOM 1219 CA THR A 166 0.544 -5.588 -1.907 1.00 60.31 C ATOM 1220 C THR A 166 -0.507 -4.809 -1.124 1.00 41.02 C ATOM 1221 O THR A 166 -0.715 -5.052 0.066 1.00 12.01 O ATOM 1222 CB THR A 166 0.305 -7.097 -1.705 1.00 5.54 C ATOM 1223 OG1 THR A 166 1.338 -7.649 -0.881 1.00 60.24 O ATOM 1224 CG2 THR A 166 0.271 -7.823 -3.041 1.00 62.04 C ATOM 0 H THR A 166 2.037 -5.172 -0.496 1.00 74.22 H new ATOM 0 HA THR A 166 0.452 -5.352 -2.967 1.00 60.31 H new ATOM 0 HB THR A 166 -0.660 -7.228 -1.215 1.00 5.54 H new ATOM 0 HG1 THR A 166 1.556 -7.018 -0.163 1.00 60.24 H new ATOM 0 HG21 THR A 166 0.101 -8.886 -2.873 1.00 62.04 H new ATOM 0 HG22 THR A 166 -0.535 -7.419 -3.654 1.00 62.04 H new ATOM 0 HG23 THR A 166 1.222 -7.684 -3.555 1.00 62.04 H new ATOM 1232 N LEU A 167 -1.167 -3.874 -1.797 1.00 33.10 N ATOM 1233 CA LEU A 167 -2.199 -3.059 -1.165 1.00 23.15 C ATOM 1234 C LEU A 167 -3.425 -3.900 -0.824 1.00 64.30 C ATOM 1235 O LEU A 167 -3.908 -4.673 -1.651 1.00 71.01 O ATOM 1236 CB LEU A 167 -2.599 -1.903 -2.082 1.00 41.04 C ATOM 1237 CG LEU A 167 -3.835 -1.108 -1.661 1.00 20.41 C ATOM 1238 CD1 LEU A 167 -3.715 -0.663 -0.211 1.00 62.23 C ATOM 1239 CD2 LEU A 167 -4.033 0.093 -2.574 1.00 12.01 C ATOM 0 H LEU A 167 -1.006 -3.661 -2.781 1.00 33.10 H new ATOM 0 HA LEU A 167 -1.790 -2.654 -0.239 1.00 23.15 H new ATOM 0 HB2 LEU A 167 -1.757 -1.215 -2.154 1.00 41.04 H new ATOM 0 HB3 LEU A 167 -2.772 -2.302 -3.082 1.00 41.04 H new ATOM 0 HG LEU A 167 -4.707 -1.755 -1.750 1.00 20.41 H new ATOM 0 HD11 LEU A 167 -4.604 -0.099 0.071 1.00 62.23 H new ATOM 0 HD12 LEU A 167 -3.622 -1.538 0.432 1.00 62.23 H new ATOM 0 HD13 LEU A 167 -2.833 -0.033 -0.096 1.00 62.23 H new ATOM 0 HD21 LEU A 167 -4.917 0.647 -2.260 1.00 12.01 H new ATOM 0 HD22 LEU A 167 -3.159 0.742 -2.517 1.00 12.01 H new ATOM 0 HD23 LEU A 167 -4.165 -0.248 -3.601 1.00 12.01 H new ATOM 1251 N ILE A 168 -3.923 -3.743 0.398 1.00 61.04 N ATOM 1252 CA ILE A 168 -5.094 -4.486 0.846 1.00 10.30 C ATOM 1253 C ILE A 168 -6.077 -3.575 1.573 1.00 32.35 C ATOM 1254 O ILE A 168 -5.781 -3.059 2.651 1.00 55.44 O ATOM 1255 CB ILE A 168 -4.701 -5.647 1.779 1.00 75.31 C ATOM 1256 CG1 ILE A 168 -3.670 -6.550 1.098 1.00 62.20 C ATOM 1257 CG2 ILE A 168 -5.934 -6.447 2.175 1.00 62.33 C ATOM 1258 CD1 ILE A 168 -3.428 -7.850 1.832 1.00 63.41 C ATOM 0 H ILE A 168 -3.534 -3.108 1.095 1.00 61.04 H new ATOM 0 HA ILE A 168 -5.570 -4.893 -0.046 1.00 10.30 H new ATOM 0 HB ILE A 168 -4.253 -5.233 2.683 1.00 75.31 H new ATOM 0 HG12 ILE A 168 -4.005 -6.771 0.085 1.00 62.20 H new ATOM 0 HG13 ILE A 168 -2.727 -6.010 1.011 1.00 62.20 H new ATOM 0 HG21 ILE A 168 -5.641 -7.264 2.834 1.00 62.33 H new ATOM 0 HG22 ILE A 168 -6.638 -5.797 2.694 1.00 62.33 H new ATOM 0 HG23 ILE A 168 -6.406 -6.854 1.281 1.00 62.33 H new ATOM 0 HD11 ILE A 168 -2.686 -8.440 1.293 1.00 63.41 H new ATOM 0 HD12 ILE A 168 -3.062 -7.638 2.837 1.00 63.41 H new ATOM 0 HD13 ILE A 168 -4.361 -8.411 1.896 1.00 63.41 H new ATOM 1270 N VAL A 169 -7.250 -3.384 0.977 1.00 13.23 N ATOM 1271 CA VAL A 169 -8.279 -2.538 1.569 1.00 54.10 C ATOM 1272 C VAL A 169 -9.542 -3.337 1.871 1.00 65.32 C ATOM 1273 O VAL A 169 -10.059 -4.049 1.010 1.00 25.12 O ATOM 1274 CB VAL A 169 -8.640 -1.361 0.643 1.00 71.02 C ATOM 1275 CG1 VAL A 169 -9.558 -0.381 1.357 1.00 53.33 C ATOM 1276 CG2 VAL A 169 -7.380 -0.663 0.153 1.00 63.41 C ATOM 0 H VAL A 169 -7.511 -3.804 0.085 1.00 13.23 H new ATOM 0 HA VAL A 169 -7.869 -2.146 2.500 1.00 54.10 H new ATOM 0 HB VAL A 169 -9.171 -1.754 -0.224 1.00 71.02 H new ATOM 0 HG11 VAL A 169 -9.802 0.443 0.687 1.00 53.33 H new ATOM 0 HG12 VAL A 169 -10.475 -0.891 1.653 1.00 53.33 H new ATOM 0 HG13 VAL A 169 -9.056 0.008 2.243 1.00 53.33 H new ATOM 0 HG21 VAL A 169 -7.654 0.166 -0.500 1.00 63.41 H new ATOM 0 HG22 VAL A 169 -6.819 -0.283 1.007 1.00 63.41 H new ATOM 0 HG23 VAL A 169 -6.763 -1.372 -0.400 1.00 63.41 H new ATOM 1286 N ASP A 170 -10.033 -3.214 3.099 1.00 72.42 N ATOM 1287 CA ASP A 170 -11.237 -3.925 3.515 1.00 30.44 C ATOM 1288 C ASP A 170 -11.018 -5.434 3.476 1.00 71.21 C ATOM 1289 O ASP A 170 -11.932 -6.195 3.161 1.00 61.51 O ATOM 1290 CB ASP A 170 -12.416 -3.544 2.619 1.00 44.20 C ATOM 1291 CG ASP A 170 -13.695 -3.329 3.404 1.00 3.10 C ATOM 1292 OD1 ASP A 170 -13.767 -2.337 4.159 1.00 34.02 O ATOM 1293 OD2 ASP A 170 -14.622 -4.153 3.265 1.00 72.03 O ATOM 0 H ASP A 170 -9.617 -2.629 3.824 1.00 72.42 H new ATOM 0 HA ASP A 170 -11.463 -3.636 4.541 1.00 30.44 H new ATOM 0 HB2 ASP A 170 -12.172 -2.634 2.071 1.00 44.20 H new ATOM 0 HB3 ASP A 170 -12.575 -4.329 1.879 1.00 44.20 H new ATOM 1298 N ASN A 171 -9.800 -5.859 3.795 1.00 23.23 N ATOM 1299 CA ASN A 171 -9.461 -7.277 3.794 1.00 62.53 C ATOM 1300 C ASN A 171 -9.581 -7.865 2.391 1.00 71.01 C ATOM 1301 O ASN A 171 -10.103 -8.965 2.209 1.00 10.10 O ATOM 1302 CB ASN A 171 -10.371 -8.042 4.758 1.00 31.12 C ATOM 1303 CG ASN A 171 -9.632 -9.134 5.508 1.00 4.33 C ATOM 1304 OD1 ASN A 171 -9.708 -9.221 6.734 1.00 42.44 O ATOM 1305 ND2 ASN A 171 -8.911 -9.972 4.773 1.00 31.43 N ATOM 0 H ASN A 171 -9.032 -5.242 4.057 1.00 23.23 H new ATOM 0 HA ASN A 171 -8.427 -7.377 4.124 1.00 62.53 H new ATOM 0 HB2 ASN A 171 -10.806 -7.344 5.473 1.00 31.12 H new ATOM 0 HB3 ASN A 171 -11.197 -8.483 4.200 1.00 31.12 H new ATOM 0 HD21 ASN A 171 -8.391 -10.726 5.222 1.00 31.43 H new ATOM 0 HD22 ASN A 171 -8.877 -9.862 3.760 1.00 31.43 H new ATOM 1312 N ARG A 172 -9.092 -7.123 1.402 1.00 34.22 N ATOM 1313 CA ARG A 172 -9.145 -7.569 0.015 1.00 34.12 C ATOM 1314 C ARG A 172 -7.876 -7.172 -0.733 1.00 14.41 C ATOM 1315 O ARG A 172 -7.471 -6.010 -0.710 1.00 42.25 O ATOM 1316 CB ARG A 172 -10.370 -6.980 -0.687 1.00 41.51 C ATOM 1317 CG ARG A 172 -11.563 -7.921 -0.725 1.00 65.02 C ATOM 1318 CD ARG A 172 -11.956 -8.263 -2.154 1.00 55.12 C ATOM 1319 NE ARG A 172 -12.809 -9.447 -2.218 1.00 61.25 N ATOM 1320 CZ ARG A 172 -13.133 -10.059 -3.352 1.00 62.53 C ATOM 1321 NH1 ARG A 172 -12.677 -9.601 -4.510 1.00 14.44 N ATOM 1322 NH2 ARG A 172 -13.912 -11.132 -3.330 1.00 13.35 N ATOM 0 H ARG A 172 -8.655 -6.211 1.536 1.00 34.22 H new ATOM 0 HA ARG A 172 -9.222 -8.656 0.012 1.00 34.12 H new ATOM 0 HB2 ARG A 172 -10.660 -6.059 -0.181 1.00 41.51 H new ATOM 0 HB3 ARG A 172 -10.098 -6.710 -1.708 1.00 41.51 H new ATOM 0 HG2 ARG A 172 -11.324 -8.836 -0.183 1.00 65.02 H new ATOM 0 HG3 ARG A 172 -12.408 -7.460 -0.214 1.00 65.02 H new ATOM 0 HD2 ARG A 172 -12.478 -7.416 -2.599 1.00 55.12 H new ATOM 0 HD3 ARG A 172 -11.057 -8.431 -2.747 1.00 55.12 H new ATOM 0 HE ARG A 172 -13.176 -9.825 -1.344 1.00 61.25 H new ATOM 0 HH11 ARG A 172 -12.076 -8.777 -4.532 1.00 14.44 H new ATOM 0 HH12 ARG A 172 -12.927 -10.073 -5.379 1.00 14.44 H new ATOM 0 HH21 ARG A 172 -14.264 -11.489 -2.441 1.00 13.35 H new ATOM 0 HH22 ARG A 172 -14.160 -11.600 -4.202 1.00 13.35 H new ATOM 1336 N GLU A 173 -7.255 -8.143 -1.394 1.00 72.02 N ATOM 1337 CA GLU A 173 -6.033 -7.893 -2.148 1.00 4.04 C ATOM 1338 C GLU A 173 -6.286 -6.910 -3.287 1.00 13.21 C ATOM 1339 O GLU A 173 -7.366 -6.895 -3.879 1.00 40.20 O ATOM 1340 CB GLU A 173 -5.474 -9.203 -2.705 1.00 24.32 C ATOM 1341 CG GLU A 173 -3.957 -9.230 -2.794 1.00 51.45 C ATOM 1342 CD GLU A 173 -3.438 -10.425 -3.569 1.00 54.04 C ATOM 1343 OE1 GLU A 173 -3.771 -11.567 -3.190 1.00 51.15 O ATOM 1344 OE2 GLU A 173 -2.699 -10.218 -4.555 1.00 15.12 O ATOM 0 H GLU A 173 -7.578 -9.110 -1.423 1.00 72.02 H new ATOM 0 HA GLU A 173 -5.302 -7.454 -1.469 1.00 4.04 H new ATOM 0 HB2 GLU A 173 -5.807 -10.027 -2.074 1.00 24.32 H new ATOM 0 HB3 GLU A 173 -5.891 -9.373 -3.698 1.00 24.32 H new ATOM 0 HG2 GLU A 173 -3.609 -8.314 -3.271 1.00 51.45 H new ATOM 0 HG3 GLU A 173 -3.538 -9.245 -1.788 1.00 51.45 H new ATOM 1351 N ILE A 174 -5.284 -6.091 -3.588 1.00 0.22 N ATOM 1352 CA ILE A 174 -5.399 -5.105 -4.656 1.00 62.50 C ATOM 1353 C ILE A 174 -4.300 -5.293 -5.698 1.00 35.35 C ATOM 1354 O ILE A 174 -3.118 -5.416 -5.375 1.00 12.44 O ATOM 1355 CB ILE A 174 -5.328 -3.668 -4.106 1.00 70.33 C ATOM 1356 CG1 ILE A 174 -6.478 -3.417 -3.129 1.00 1.23 C ATOM 1357 CG2 ILE A 174 -5.366 -2.662 -5.248 1.00 33.23 C ATOM 1358 CD1 ILE A 174 -7.418 -2.319 -3.572 1.00 53.44 C ATOM 0 H ILE A 174 -4.384 -6.090 -3.108 1.00 0.22 H new ATOM 0 HA ILE A 174 -6.371 -5.259 -5.124 1.00 62.50 H new ATOM 0 HB ILE A 174 -4.387 -3.544 -3.570 1.00 70.33 H new ATOM 0 HG12 ILE A 174 -7.044 -4.340 -3.002 1.00 1.23 H new ATOM 0 HG13 ILE A 174 -6.066 -3.159 -2.153 1.00 1.23 H new ATOM 0 HG21 ILE A 174 -5.315 -1.651 -4.844 1.00 33.23 H new ATOM 0 HG22 ILE A 174 -4.517 -2.831 -5.910 1.00 33.23 H new ATOM 0 HG23 ILE A 174 -6.293 -2.783 -5.808 1.00 33.23 H new ATOM 0 HD11 ILE A 174 -8.208 -2.196 -2.832 1.00 53.44 H new ATOM 0 HD12 ILE A 174 -6.865 -1.385 -3.671 1.00 53.44 H new ATOM 0 HD13 ILE A 174 -7.859 -2.583 -4.533 1.00 53.44 H new ATOM 1370 N PRO A 175 -4.698 -5.317 -6.978 1.00 45.34 N ATOM 1371 CA PRO A 175 -3.762 -5.487 -8.094 1.00 42.43 C ATOM 1372 C PRO A 175 -2.866 -4.268 -8.291 1.00 71.02 C ATOM 1373 O PRO A 175 -3.329 -3.130 -8.228 1.00 33.24 O ATOM 1374 CB PRO A 175 -4.681 -5.676 -9.303 1.00 11.21 C ATOM 1375 CG PRO A 175 -5.951 -4.995 -8.922 1.00 64.23 C ATOM 1376 CD PRO A 175 -6.090 -5.178 -7.436 1.00 44.02 C ATOM 0 HA PRO A 175 -3.077 -6.319 -7.928 1.00 42.43 H new ATOM 0 HB2 PRO A 175 -4.249 -5.235 -10.202 1.00 11.21 H new ATOM 0 HB3 PRO A 175 -4.846 -6.733 -9.514 1.00 11.21 H new ATOM 0 HG2 PRO A 175 -5.920 -3.937 -9.184 1.00 64.23 H new ATOM 0 HG3 PRO A 175 -6.800 -5.429 -9.450 1.00 64.23 H new ATOM 0 HD2 PRO A 175 -6.583 -4.325 -6.970 1.00 44.02 H new ATOM 0 HD3 PRO A 175 -6.683 -6.060 -7.193 1.00 44.02 H new ATOM 1384 N GLU A 176 -1.582 -4.515 -8.530 1.00 63.14 N ATOM 1385 CA GLU A 176 -0.623 -3.437 -8.735 1.00 45.25 C ATOM 1386 C GLU A 176 -0.532 -3.064 -10.212 1.00 64.04 C ATOM 1387 O GLU A 176 -0.416 -3.932 -11.078 1.00 63.31 O ATOM 1388 CB GLU A 176 0.757 -3.845 -8.216 1.00 30.04 C ATOM 1389 CG GLU A 176 1.848 -2.833 -8.523 1.00 21.20 C ATOM 1390 CD GLU A 176 2.963 -3.415 -9.371 1.00 33.40 C ATOM 1391 OE1 GLU A 176 3.527 -4.456 -8.976 1.00 75.14 O ATOM 1392 OE2 GLU A 176 3.270 -2.828 -10.430 1.00 34.24 O ATOM 0 H GLU A 176 -1.182 -5.452 -8.586 1.00 63.14 H new ATOM 0 HA GLU A 176 -0.970 -2.567 -8.178 1.00 45.25 H new ATOM 0 HB2 GLU A 176 0.701 -3.990 -7.137 1.00 30.04 H new ATOM 0 HB3 GLU A 176 1.031 -4.805 -8.653 1.00 30.04 H new ATOM 0 HG2 GLU A 176 1.411 -1.979 -9.041 1.00 21.20 H new ATOM 0 HG3 GLU A 176 2.265 -2.459 -7.588 1.00 21.20 H new ATOM 1399 N LEU A 177 -0.586 -1.766 -10.493 1.00 74.20 N ATOM 1400 CA LEU A 177 -0.511 -1.277 -11.865 1.00 43.04 C ATOM 1401 C LEU A 177 0.751 -1.785 -12.557 1.00 30.32 C ATOM 1402 O LEU A 177 1.866 -1.427 -12.179 1.00 5.14 O ATOM 1403 CB LEU A 177 -0.535 0.253 -11.885 1.00 34.05 C ATOM 1404 CG LEU A 177 -0.708 0.905 -13.257 1.00 30.35 C ATOM 1405 CD1 LEU A 177 -2.023 0.477 -13.890 1.00 4.20 C ATOM 1406 CD2 LEU A 177 -0.638 2.420 -13.139 1.00 43.33 C ATOM 0 H LEU A 177 -0.681 -1.034 -9.789 1.00 74.20 H new ATOM 0 HA LEU A 177 -1.378 -1.656 -12.406 1.00 43.04 H new ATOM 0 HB2 LEU A 177 -1.345 0.592 -11.239 1.00 34.05 H new ATOM 0 HB3 LEU A 177 0.395 0.616 -11.447 1.00 34.05 H new ATOM 0 HG LEU A 177 0.106 0.573 -13.902 1.00 30.35 H new ATOM 0 HD11 LEU A 177 -2.128 0.951 -14.866 1.00 4.20 H new ATOM 0 HD12 LEU A 177 -2.033 -0.606 -14.010 1.00 4.20 H new ATOM 0 HD13 LEU A 177 -2.851 0.779 -13.249 1.00 4.20 H new ATOM 0 HD21 LEU A 177 -0.763 2.868 -14.125 1.00 43.33 H new ATOM 0 HD22 LEU A 177 -1.431 2.770 -12.478 1.00 43.33 H new ATOM 0 HD23 LEU A 177 0.330 2.709 -12.729 1.00 43.33 H new ATOM 1418 N THR A 178 0.566 -2.621 -13.574 1.00 41.23 N ATOM 1419 CA THR A 178 1.688 -3.177 -14.319 1.00 63.50 C ATOM 1420 C THR A 178 1.562 -2.878 -15.808 1.00 11.24 C ATOM 1421 O THR A 178 2.048 -3.638 -16.646 1.00 13.31 O ATOM 1422 CB THR A 178 1.794 -4.701 -14.121 1.00 0.04 C ATOM 1423 OG1 THR A 178 0.598 -5.339 -14.581 1.00 41.03 O ATOM 1424 CG2 THR A 178 2.024 -5.042 -12.655 1.00 52.44 C ATOM 0 H THR A 178 -0.350 -2.928 -13.900 1.00 41.23 H new ATOM 0 HA THR A 178 2.590 -2.704 -13.931 1.00 63.50 H new ATOM 0 HB THR A 178 2.644 -5.062 -14.700 1.00 0.04 H new ATOM 0 HG1 THR A 178 0.674 -6.308 -14.453 1.00 41.03 H new ATOM 0 HG21 THR A 178 2.096 -6.124 -12.540 1.00 52.44 H new ATOM 0 HG22 THR A 178 2.950 -4.579 -12.315 1.00 52.44 H new ATOM 0 HG23 THR A 178 1.191 -4.668 -12.059 1.00 52.44 H new ATOM 1432 N GLN A 179 0.908 -1.767 -16.131 1.00 5.13 N ATOM 1433 CA GLN A 179 0.719 -1.367 -17.520 1.00 24.31 C ATOM 1434 C GLN A 179 -0.113 -2.400 -18.274 1.00 53.13 C ATOM 1435 O GLN A 179 -0.692 -2.102 -19.319 1.00 50.10 O ATOM 1436 CB GLN A 179 2.073 -1.184 -18.209 1.00 61.40 C ATOM 1437 CG GLN A 179 2.465 0.271 -18.402 1.00 53.53 C ATOM 1438 CD GLN A 179 3.144 0.521 -19.734 1.00 62.25 C ATOM 1439 OE1 GLN A 179 3.781 -0.370 -20.296 1.00 4.13 O ATOM 1440 NE2 GLN A 179 3.010 1.739 -20.247 1.00 65.15 N ATOM 0 H GLN A 179 0.500 -1.128 -15.449 1.00 5.13 H new ATOM 0 HA GLN A 179 0.184 -0.418 -17.530 1.00 24.31 H new ATOM 0 HB2 GLN A 179 2.842 -1.684 -17.620 1.00 61.40 H new ATOM 0 HB3 GLN A 179 2.046 -1.676 -19.181 1.00 61.40 H new ATOM 0 HG2 GLN A 179 1.575 0.896 -18.329 1.00 53.53 H new ATOM 0 HG3 GLN A 179 3.133 0.573 -17.596 1.00 53.53 H new ATOM 0 HE21 GLN A 179 2.473 2.447 -19.746 1.00 65.15 H new ATOM 0 HE22 GLN A 179 3.444 1.966 -21.142 1.00 65.15 H new TER 1449 GLN A 179