USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 628 hydrogens (15 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 NoAdj-H: A 122 LYS HZ2 : A 122 LYS NZ : A 222 BTN C11 :(NH2R) USER MOD NoAdj-H: A 122 LYS HZ3 : A 122 LYS NZ : A 222 BTN C11 :(NH2R) USER MOD Set 1.1: A 123 MET CE :methyl 141:sc= -9.52! (180deg=-3.95!) USER MOD Set 1.2: A 125 ASN : amide:sc= -16.7! C(o=-26!,f=-38!) USER MOD Single : A 79 SER OG : rot 68:sc= 0.585 USER MOD Single : A 81 HIS : no HE2:sc= -8.05! C(o=-8!,f=-10!) USER MOD Single : A 85 SER OG : rot -92:sc= -9.8! USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 96:sc= 1.06 USER MOD Single : A 92 TYR OH : rot -174:sc= -2.89! USER MOD Single : A 94 THR OG1 : rot 70:sc= -3.72! USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 GLN : amide:sc= -0.828 X(o=-0.83,f=-1.3) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN : amide:sc= -0.0568 X(o=-0.057,f=-0.24) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0.0784 USER MOD Single : A 116 CYS SG : rot -12:sc= -1.21 USER MOD Single : A 121 MET CE :methyl 152:sc= 0 (180deg=-0.0662) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 MET CE :methyl -112:sc= -1.85 (180deg=-3.59!) USER MOD Single : A 126 GLN : amide:sc= -0.538 K(o=-0.54,f=-4.6!) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 SER OG : rot 180:sc= -0.79 USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 SER OG : rot -168:sc= -2.6! USER MOD Single : A 144 GLN : amide:sc= 0.0737 X(o=0.074,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 77 20.230 11.645 1.187 1.00 0.00 N ATOM 2 CA GLU A 77 19.016 12.445 1.308 1.00 0.00 C ATOM 3 C GLU A 77 17.821 11.715 0.705 1.00 0.00 C ATOM 4 O GLU A 77 17.981 10.726 -0.011 1.00 0.00 O ATOM 5 CB GLU A 77 19.202 13.798 0.620 1.00 0.00 C ATOM 6 CG GLU A 77 19.125 14.981 1.573 1.00 0.00 C ATOM 7 CD GLU A 77 20.432 15.745 1.659 1.00 0.00 C ATOM 8 OE1 GLU A 77 21.422 15.300 1.041 1.00 0.00 O ATOM 9 OE2 GLU A 77 20.465 16.789 2.344 1.00 0.00 O ATOM 0 HA GLU A 77 18.822 12.608 2.368 1.00 0.00 H new ATOM 0 HB2 GLU A 77 20.168 13.810 0.116 1.00 0.00 H new ATOM 0 HB3 GLU A 77 18.439 13.912 -0.150 1.00 0.00 H new ATOM 0 HG2 GLU A 77 18.334 15.656 1.245 1.00 0.00 H new ATOM 0 HG3 GLU A 77 18.850 14.626 2.566 1.00 0.00 H new ATOM 16 N ILE A 78 16.621 12.209 0.999 1.00 0.00 N ATOM 17 CA ILE A 78 15.400 11.603 0.484 1.00 0.00 C ATOM 18 C ILE A 78 15.481 11.401 -1.025 1.00 0.00 C ATOM 19 O ILE A 78 15.809 12.327 -1.767 1.00 0.00 O ATOM 20 CB ILE A 78 14.165 12.465 0.810 1.00 0.00 C ATOM 21 CG1 ILE A 78 12.920 11.886 0.136 1.00 0.00 C ATOM 22 CG2 ILE A 78 14.391 13.903 0.371 1.00 0.00 C ATOM 23 CD1 ILE A 78 12.575 10.488 0.602 1.00 0.00 C ATOM 0 H ILE A 78 16.470 13.026 1.590 1.00 0.00 H new ATOM 0 HA ILE A 78 15.297 10.634 0.972 1.00 0.00 H new ATOM 0 HB ILE A 78 14.009 12.456 1.889 1.00 0.00 H new ATOM 0 HG12 ILE A 78 12.073 12.544 0.329 1.00 0.00 H new ATOM 0 HG13 ILE A 78 13.074 11.873 -0.943 1.00 0.00 H new ATOM 0 HG21 ILE A 78 13.510 14.499 0.608 1.00 0.00 H new ATOM 0 HG22 ILE A 78 15.256 14.311 0.893 1.00 0.00 H new ATOM 0 HG23 ILE A 78 14.570 13.931 -0.704 1.00 0.00 H new ATOM 0 HD11 ILE A 78 11.682 10.141 0.082 1.00 0.00 H new ATOM 0 HD12 ILE A 78 13.405 9.816 0.384 1.00 0.00 H new ATOM 0 HD13 ILE A 78 12.389 10.498 1.676 1.00 0.00 H new ATOM 35 N SER A 79 15.181 10.187 -1.473 1.00 0.00 N ATOM 36 CA SER A 79 15.221 9.865 -2.894 1.00 0.00 C ATOM 37 C SER A 79 14.121 8.873 -3.261 1.00 0.00 C ATOM 38 O SER A 79 14.211 8.177 -4.272 1.00 0.00 O ATOM 39 CB SER A 79 16.587 9.289 -3.268 1.00 0.00 C ATOM 40 OG SER A 79 17.628 9.945 -2.565 1.00 0.00 O ATOM 0 H SER A 79 14.907 9.410 -0.872 1.00 0.00 H new ATOM 0 HA SER A 79 15.055 10.786 -3.454 1.00 0.00 H new ATOM 0 HB2 SER A 79 16.609 8.222 -3.044 1.00 0.00 H new ATOM 0 HB3 SER A 79 16.747 9.393 -4.341 1.00 0.00 H new ATOM 0 HG SER A 79 17.569 9.724 -1.612 1.00 0.00 H new ATOM 46 N GLY A 80 13.084 8.815 -2.433 1.00 0.00 N ATOM 47 CA GLY A 80 11.981 7.906 -2.688 1.00 0.00 C ATOM 48 C GLY A 80 10.801 8.594 -3.345 1.00 0.00 C ATOM 49 O GLY A 80 10.969 9.360 -4.293 1.00 0.00 O ATOM 0 H GLY A 80 12.987 9.381 -1.590 1.00 0.00 H new ATOM 0 HA2 GLY A 80 12.325 7.093 -3.327 1.00 0.00 H new ATOM 0 HA3 GLY A 80 11.659 7.458 -1.748 1.00 0.00 H new ATOM 53 N HIS A 81 9.604 8.319 -2.839 1.00 0.00 N ATOM 54 CA HIS A 81 8.387 8.915 -3.380 1.00 0.00 C ATOM 55 C HIS A 81 7.195 8.624 -2.476 1.00 0.00 C ATOM 56 O HIS A 81 7.358 8.143 -1.355 1.00 0.00 O ATOM 57 CB HIS A 81 8.117 8.384 -4.789 1.00 0.00 C ATOM 58 CG HIS A 81 7.603 6.978 -4.808 1.00 0.00 C ATOM 59 ND1 HIS A 81 6.260 6.667 -4.794 1.00 0.00 N ATOM 60 CD2 HIS A 81 8.260 5.794 -4.840 1.00 0.00 C ATOM 61 CE1 HIS A 81 6.114 5.354 -4.815 1.00 0.00 C ATOM 62 NE2 HIS A 81 7.312 4.801 -4.844 1.00 0.00 N ATOM 0 H HIS A 81 9.450 7.686 -2.054 1.00 0.00 H new ATOM 0 HA HIS A 81 8.529 9.995 -3.429 1.00 0.00 H new ATOM 0 HB2 HIS A 81 7.393 9.034 -5.281 1.00 0.00 H new ATOM 0 HB3 HIS A 81 9.038 8.434 -5.370 1.00 0.00 H new ATOM 0 HD1 HIS A 81 5.498 7.345 -4.771 1.00 0.00 H new ATOM 0 HD2 HIS A 81 9.331 5.657 -4.859 1.00 0.00 H new ATOM 0 HE1 HIS A 81 5.173 4.823 -4.809 1.00 0.00 H new ATOM 71 N ILE A 82 5.997 8.915 -2.970 1.00 0.00 N ATOM 72 CA ILE A 82 4.780 8.680 -2.203 1.00 0.00 C ATOM 73 C ILE A 82 3.734 7.950 -3.036 1.00 0.00 C ATOM 74 O ILE A 82 3.198 8.500 -4.000 1.00 0.00 O ATOM 75 CB ILE A 82 4.179 10.000 -1.682 1.00 0.00 C ATOM 76 CG1 ILE A 82 5.241 10.797 -0.917 1.00 0.00 C ATOM 77 CG2 ILE A 82 2.972 9.715 -0.799 1.00 0.00 C ATOM 78 CD1 ILE A 82 4.671 11.716 0.143 1.00 0.00 C ATOM 0 H ILE A 82 5.843 9.313 -3.896 1.00 0.00 H new ATOM 0 HA ILE A 82 5.059 8.057 -1.353 1.00 0.00 H new ATOM 0 HB ILE A 82 3.847 10.599 -2.530 1.00 0.00 H new ATOM 0 HG12 ILE A 82 5.935 10.101 -0.446 1.00 0.00 H new ATOM 0 HG13 ILE A 82 5.818 11.390 -1.627 1.00 0.00 H new ATOM 0 HG21 ILE A 82 2.556 10.655 -0.437 1.00 0.00 H new ATOM 0 HG22 ILE A 82 2.216 9.182 -1.376 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.278 9.103 0.049 1.00 0.00 H new ATOM 0 HD11 ILE A 82 5.483 12.245 0.641 1.00 0.00 H new ATOM 0 HD12 ILE A 82 4.000 12.437 -0.323 1.00 0.00 H new ATOM 0 HD13 ILE A 82 4.119 11.128 0.876 1.00 0.00 H new ATOM 90 N VAL A 83 3.448 6.709 -2.659 1.00 0.00 N ATOM 91 CA VAL A 83 2.467 5.899 -3.370 1.00 0.00 C ATOM 92 C VAL A 83 1.053 6.421 -3.141 1.00 0.00 C ATOM 93 O VAL A 83 0.505 6.298 -2.046 1.00 0.00 O ATOM 94 CB VAL A 83 2.534 4.424 -2.932 1.00 0.00 C ATOM 95 CG1 VAL A 83 1.580 3.576 -3.758 1.00 0.00 C ATOM 96 CG2 VAL A 83 3.958 3.900 -3.041 1.00 0.00 C ATOM 0 H VAL A 83 3.883 6.242 -1.863 1.00 0.00 H new ATOM 0 HA VAL A 83 2.709 5.967 -4.430 1.00 0.00 H new ATOM 0 HB VAL A 83 2.226 4.360 -1.888 1.00 0.00 H new ATOM 0 HG11 VAL A 83 1.642 2.537 -3.433 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.561 3.938 -3.622 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.852 3.644 -4.811 1.00 0.00 H new ATOM 0 HG21 VAL A 83 3.987 2.856 -2.728 1.00 0.00 H new ATOM 0 HG22 VAL A 83 4.296 3.978 -4.074 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.613 4.490 -2.399 1.00 0.00 H new ATOM 106 N ARG A 84 0.469 7.005 -4.182 1.00 0.00 N ATOM 107 CA ARG A 84 -0.883 7.547 -4.095 1.00 0.00 C ATOM 108 C ARG A 84 -1.914 6.427 -3.997 1.00 0.00 C ATOM 109 O ARG A 84 -1.579 5.249 -4.117 1.00 0.00 O ATOM 110 CB ARG A 84 -1.182 8.426 -5.312 1.00 0.00 C ATOM 111 CG ARG A 84 -1.082 9.915 -5.026 1.00 0.00 C ATOM 112 CD ARG A 84 -0.261 10.630 -6.086 1.00 0.00 C ATOM 113 NE ARG A 84 1.118 10.843 -5.659 1.00 0.00 N ATOM 114 CZ ARG A 84 2.033 11.454 -6.405 1.00 0.00 C ATOM 115 NH1 ARG A 84 1.714 11.909 -7.607 1.00 0.00 N ATOM 116 NH2 ARG A 84 3.268 11.610 -5.947 1.00 0.00 N ATOM 0 H ARG A 84 0.910 7.115 -5.095 1.00 0.00 H new ATOM 0 HA ARG A 84 -0.946 8.154 -3.192 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -0.488 8.171 -6.113 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -2.185 8.201 -5.675 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -2.082 10.347 -4.986 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -0.628 10.069 -4.047 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -0.269 10.046 -7.006 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -0.722 11.591 -6.315 1.00 0.00 H new ATOM 0 HE ARG A 84 1.395 10.504 -4.738 1.00 0.00 H new ATOM 0 HH11 ARG A 84 0.765 11.791 -7.962 1.00 0.00 H new ATOM 0 HH12 ARG A 84 2.417 12.378 -8.178 1.00 0.00 H new ATOM 0 HH21 ARG A 84 3.517 11.261 -5.021 1.00 0.00 H new ATOM 0 HH22 ARG A 84 3.969 12.079 -6.520 1.00 0.00 H new ATOM 130 N SER A 85 -3.169 6.805 -3.774 1.00 0.00 N ATOM 131 CA SER A 85 -4.251 5.834 -3.658 1.00 0.00 C ATOM 132 C SER A 85 -5.208 5.935 -4.841 1.00 0.00 C ATOM 133 O SER A 85 -6.215 6.638 -4.775 1.00 0.00 O ATOM 134 CB SER A 85 -5.015 6.054 -2.352 1.00 0.00 C ATOM 135 OG SER A 85 -6.393 5.768 -2.508 1.00 0.00 O ATOM 0 H SER A 85 -3.461 7.777 -3.670 1.00 0.00 H new ATOM 0 HA SER A 85 -3.812 4.836 -3.657 1.00 0.00 H new ATOM 0 HB2 SER A 85 -4.596 5.419 -1.571 1.00 0.00 H new ATOM 0 HB3 SER A 85 -4.890 7.086 -2.025 1.00 0.00 H new ATOM 0 HG SER A 85 -6.872 6.588 -2.751 1.00 0.00 H new ATOM 141 N PRO A 86 -4.903 5.227 -5.939 1.00 0.00 N ATOM 142 CA PRO A 86 -5.740 5.231 -7.146 1.00 0.00 C ATOM 143 C PRO A 86 -7.182 4.833 -6.843 1.00 0.00 C ATOM 144 O PRO A 86 -7.736 5.218 -5.814 1.00 0.00 O ATOM 145 CB PRO A 86 -5.073 4.186 -8.047 1.00 0.00 C ATOM 146 CG PRO A 86 -3.668 4.094 -7.560 1.00 0.00 C ATOM 147 CD PRO A 86 -3.718 4.368 -6.083 1.00 0.00 C ATOM 0 HA PRO A 86 -5.803 6.221 -7.599 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -5.579 3.223 -7.975 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -5.108 4.488 -9.094 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -3.251 3.107 -7.759 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -3.031 4.818 -8.069 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -3.815 3.448 -5.506 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -2.814 4.868 -5.736 1.00 0.00 H new ATOM 155 N MET A 87 -7.789 4.055 -7.734 1.00 0.00 N ATOM 156 CA MET A 87 -9.162 3.607 -7.538 1.00 0.00 C ATOM 157 C MET A 87 -9.232 2.614 -6.382 1.00 0.00 C ATOM 158 O MET A 87 -9.623 1.461 -6.562 1.00 0.00 O ATOM 159 CB MET A 87 -9.701 2.964 -8.816 1.00 0.00 C ATOM 160 CG MET A 87 -11.189 2.660 -8.764 1.00 0.00 C ATOM 161 SD MET A 87 -12.176 3.864 -9.673 1.00 0.00 S ATOM 162 CE MET A 87 -13.029 2.797 -10.832 1.00 0.00 C ATOM 0 H MET A 87 -7.354 3.723 -8.595 1.00 0.00 H new ATOM 0 HA MET A 87 -9.778 4.473 -7.297 1.00 0.00 H new ATOM 0 HB2 MET A 87 -9.504 3.628 -9.658 1.00 0.00 H new ATOM 0 HB3 MET A 87 -9.156 2.039 -9.005 1.00 0.00 H new ATOM 0 HG2 MET A 87 -11.367 1.666 -9.174 1.00 0.00 H new ATOM 0 HG3 MET A 87 -11.515 2.639 -7.724 1.00 0.00 H new ATOM 0 HE1 MET A 87 -13.681 3.397 -11.467 1.00 0.00 H new ATOM 0 HE2 MET A 87 -12.299 2.275 -11.451 1.00 0.00 H new ATOM 0 HE3 MET A 87 -13.627 2.069 -10.284 1.00 0.00 H new ATOM 172 N VAL A 88 -8.835 3.070 -5.198 1.00 0.00 N ATOM 173 CA VAL A 88 -8.833 2.225 -4.011 1.00 0.00 C ATOM 174 C VAL A 88 -10.211 2.170 -3.356 1.00 0.00 C ATOM 175 O VAL A 88 -11.188 2.689 -3.894 1.00 0.00 O ATOM 176 CB VAL A 88 -7.797 2.718 -2.979 1.00 0.00 C ATOM 177 CG1 VAL A 88 -7.205 1.550 -2.203 1.00 0.00 C ATOM 178 CG2 VAL A 88 -6.697 3.509 -3.669 1.00 0.00 C ATOM 0 H VAL A 88 -8.510 4.023 -5.036 1.00 0.00 H new ATOM 0 HA VAL A 88 -8.563 1.222 -4.340 1.00 0.00 H new ATOM 0 HB VAL A 88 -8.306 3.372 -2.271 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -6.478 1.923 -1.482 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -8.000 1.023 -1.676 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -6.712 0.866 -2.894 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -5.974 3.850 -2.928 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -6.196 2.874 -4.399 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -7.131 4.371 -4.175 1.00 0.00 H new ATOM 188 N GLY A 89 -10.276 1.534 -2.190 1.00 0.00 N ATOM 189 CA GLY A 89 -11.527 1.415 -1.465 1.00 0.00 C ATOM 190 C GLY A 89 -11.303 1.224 0.023 1.00 0.00 C ATOM 191 O GLY A 89 -11.780 2.012 0.838 1.00 0.00 O ATOM 0 H GLY A 89 -9.477 1.096 -1.732 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -12.128 2.309 -1.630 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -12.095 0.572 -1.858 1.00 0.00 H new ATOM 195 N THR A 90 -10.563 0.175 0.374 1.00 0.00 N ATOM 196 CA THR A 90 -10.262 -0.122 1.771 1.00 0.00 C ATOM 197 C THR A 90 -8.824 -0.610 1.914 1.00 0.00 C ATOM 198 O THR A 90 -8.472 -1.681 1.420 1.00 0.00 O ATOM 199 CB THR A 90 -11.228 -1.177 2.315 1.00 0.00 C ATOM 200 OG1 THR A 90 -12.484 -1.088 1.666 1.00 0.00 O ATOM 201 CG2 THR A 90 -11.470 -1.054 3.804 1.00 0.00 C ATOM 0 H THR A 90 -10.160 -0.484 -0.292 1.00 0.00 H new ATOM 0 HA THR A 90 -10.382 0.795 2.349 1.00 0.00 H new ATOM 0 HB THR A 90 -10.750 -2.137 2.119 1.00 0.00 H new ATOM 0 HG1 THR A 90 -12.515 -1.728 0.925 1.00 0.00 H new ATOM 0 HG21 THR A 90 -12.163 -1.831 4.125 1.00 0.00 H new ATOM 0 HG22 THR A 90 -10.526 -1.167 4.337 1.00 0.00 H new ATOM 0 HG23 THR A 90 -11.895 -0.075 4.024 1.00 0.00 H new ATOM 209 N PHE A 91 -7.993 0.183 2.583 1.00 0.00 N ATOM 210 CA PHE A 91 -6.592 -0.176 2.776 1.00 0.00 C ATOM 211 C PHE A 91 -6.413 -1.074 3.995 1.00 0.00 C ATOM 212 O PHE A 91 -7.298 -1.174 4.843 1.00 0.00 O ATOM 213 CB PHE A 91 -5.731 1.079 2.929 1.00 0.00 C ATOM 214 CG PHE A 91 -4.275 0.776 3.143 1.00 0.00 C ATOM 215 CD1 PHE A 91 -3.502 0.263 2.108 1.00 0.00 C ATOM 216 CD2 PHE A 91 -3.679 1.001 4.377 1.00 0.00 C ATOM 217 CE1 PHE A 91 -2.159 -0.020 2.301 1.00 0.00 C ATOM 218 CE2 PHE A 91 -2.336 0.720 4.578 1.00 0.00 C ATOM 219 CZ PHE A 91 -1.576 0.208 3.538 1.00 0.00 C ATOM 0 H PHE A 91 -8.263 1.074 2.999 1.00 0.00 H new ATOM 0 HA PHE A 91 -6.270 -0.726 1.892 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -5.840 1.697 2.038 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -6.101 1.665 3.770 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -3.953 0.083 1.143 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -4.268 1.399 5.190 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -1.568 -0.417 1.489 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -1.884 0.900 5.542 1.00 0.00 H new ATOM 0 HZ PHE A 91 -0.530 -0.013 3.691 1.00 0.00 H new ATOM 229 N TYR A 92 -5.255 -1.722 4.073 1.00 0.00 N ATOM 230 CA TYR A 92 -4.944 -2.612 5.185 1.00 0.00 C ATOM 231 C TYR A 92 -3.436 -2.782 5.334 1.00 0.00 C ATOM 232 O TYR A 92 -2.657 -2.138 4.631 1.00 0.00 O ATOM 233 CB TYR A 92 -5.602 -3.974 4.976 1.00 0.00 C ATOM 234 CG TYR A 92 -7.106 -3.910 4.835 1.00 0.00 C ATOM 235 CD1 TYR A 92 -7.904 -3.446 5.880 1.00 0.00 C ATOM 236 CD2 TYR A 92 -7.732 -4.316 3.658 1.00 0.00 C ATOM 237 CE1 TYR A 92 -9.283 -3.388 5.754 1.00 0.00 C ATOM 238 CE2 TYR A 92 -9.110 -4.261 3.525 1.00 0.00 C ATOM 239 CZ TYR A 92 -9.880 -3.796 4.575 1.00 0.00 C ATOM 240 OH TYR A 92 -11.249 -3.739 4.447 1.00 0.00 O ATOM 0 H TYR A 92 -4.514 -1.647 3.376 1.00 0.00 H new ATOM 0 HA TYR A 92 -5.337 -2.165 6.098 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -5.182 -4.437 4.083 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -5.352 -4.621 5.817 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -7.440 -3.127 6.802 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -7.133 -4.679 2.836 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -9.888 -3.026 6.572 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -9.580 -4.580 2.606 1.00 0.00 H new ATOM 0 HH TYR A 92 -11.515 -4.148 3.597 1.00 0.00 H new ATOM 250 N ARG A 93 -3.029 -3.656 6.249 1.00 0.00 N ATOM 251 CA ARG A 93 -1.610 -3.911 6.481 1.00 0.00 C ATOM 252 C ARG A 93 -1.263 -5.362 6.179 1.00 0.00 C ATOM 253 O ARG A 93 -0.098 -5.699 5.971 1.00 0.00 O ATOM 254 CB ARG A 93 -1.234 -3.585 7.928 1.00 0.00 C ATOM 255 CG ARG A 93 -1.950 -2.367 8.483 1.00 0.00 C ATOM 256 CD ARG A 93 -1.025 -1.160 8.547 1.00 0.00 C ATOM 257 NE ARG A 93 -0.082 -1.251 9.658 1.00 0.00 N ATOM 258 CZ ARG A 93 -0.439 -1.164 10.935 1.00 0.00 C ATOM 259 NH1 ARG A 93 -1.712 -0.981 11.260 1.00 0.00 N ATOM 260 NH2 ARG A 93 0.477 -1.258 11.889 1.00 0.00 N ATOM 0 H ARG A 93 -3.659 -4.198 6.841 1.00 0.00 H new ATOM 0 HA ARG A 93 -1.042 -3.266 5.810 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -1.460 -4.447 8.556 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -0.158 -3.422 7.987 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -2.812 -2.134 7.858 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -2.330 -2.589 9.480 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -0.474 -1.075 7.610 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -1.620 -0.253 8.650 1.00 0.00 H new ATOM 0 HE ARG A 93 0.905 -1.389 9.442 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -2.419 -0.907 10.529 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -1.983 -0.915 12.241 1.00 0.00 H new ATOM 0 HH21 ARG A 93 1.457 -1.397 11.643 1.00 0.00 H new ATOM 0 HH22 ARG A 93 0.202 -1.191 12.869 1.00 0.00 H new ATOM 274 N THR A 94 -2.277 -6.221 6.164 1.00 0.00 N ATOM 275 CA THR A 94 -2.064 -7.635 5.894 1.00 0.00 C ATOM 276 C THR A 94 -3.377 -8.409 5.927 1.00 0.00 C ATOM 277 O THR A 94 -4.308 -8.044 6.645 1.00 0.00 O ATOM 278 CB THR A 94 -1.088 -8.214 6.914 1.00 0.00 C ATOM 279 OG1 THR A 94 -0.637 -9.494 6.509 1.00 0.00 O ATOM 280 CG2 THR A 94 -1.683 -8.351 8.299 1.00 0.00 C ATOM 0 H THR A 94 -3.249 -5.963 6.335 1.00 0.00 H new ATOM 0 HA THR A 94 -1.643 -7.732 4.893 1.00 0.00 H new ATOM 0 HB THR A 94 -0.263 -7.504 6.960 1.00 0.00 H new ATOM 0 HG1 THR A 94 -0.050 -9.403 5.729 1.00 0.00 H new ATOM 0 HG21 THR A 94 -0.937 -8.768 8.976 1.00 0.00 H new ATOM 0 HG22 THR A 94 -1.993 -7.370 8.661 1.00 0.00 H new ATOM 0 HG23 THR A 94 -2.548 -9.013 8.260 1.00 0.00 H new ATOM 288 N PRO A 95 -3.462 -9.496 5.147 1.00 0.00 N ATOM 289 CA PRO A 95 -4.653 -10.331 5.082 1.00 0.00 C ATOM 290 C PRO A 95 -4.687 -11.380 6.191 1.00 0.00 C ATOM 291 O PRO A 95 -4.238 -12.509 6.001 1.00 0.00 O ATOM 292 CB PRO A 95 -4.531 -10.995 3.714 1.00 0.00 C ATOM 293 CG PRO A 95 -3.063 -11.066 3.436 1.00 0.00 C ATOM 294 CD PRO A 95 -2.392 -9.994 4.267 1.00 0.00 C ATOM 0 HA PRO A 95 -5.570 -9.756 5.214 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -4.978 -11.989 3.719 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -5.048 -10.416 2.949 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -2.671 -12.051 3.691 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -2.865 -10.909 2.376 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -1.560 -10.399 4.842 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -1.989 -9.198 3.640 1.00 0.00 H new ATOM 302 N SER A 96 -5.220 -10.986 7.346 1.00 0.00 N ATOM 303 CA SER A 96 -5.321 -11.873 8.507 1.00 0.00 C ATOM 304 C SER A 96 -5.391 -13.341 8.096 1.00 0.00 C ATOM 305 O SER A 96 -4.582 -14.156 8.538 1.00 0.00 O ATOM 306 CB SER A 96 -6.550 -11.510 9.343 1.00 0.00 C ATOM 307 OG SER A 96 -6.173 -10.982 10.602 1.00 0.00 O ATOM 0 H SER A 96 -5.592 -10.050 7.505 1.00 0.00 H new ATOM 0 HA SER A 96 -4.419 -11.735 9.103 1.00 0.00 H new ATOM 0 HB2 SER A 96 -7.156 -10.780 8.806 1.00 0.00 H new ATOM 0 HB3 SER A 96 -7.170 -12.395 9.487 1.00 0.00 H new ATOM 0 HG SER A 96 -6.976 -10.757 11.116 1.00 0.00 H new ATOM 313 N PRO A 97 -6.364 -13.694 7.241 1.00 0.00 N ATOM 314 CA PRO A 97 -6.544 -15.069 6.766 1.00 0.00 C ATOM 315 C PRO A 97 -5.240 -15.689 6.278 1.00 0.00 C ATOM 316 O PRO A 97 -4.971 -15.729 5.077 1.00 0.00 O ATOM 317 CB PRO A 97 -7.531 -14.913 5.610 1.00 0.00 C ATOM 318 CG PRO A 97 -8.312 -13.691 5.946 1.00 0.00 C ATOM 319 CD PRO A 97 -7.365 -12.776 6.674 1.00 0.00 C ATOM 0 HA PRO A 97 -6.893 -15.734 7.556 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -7.012 -14.803 4.658 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -8.178 -15.785 5.521 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -8.698 -13.215 5.044 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -9.172 -13.937 6.569 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -6.908 -12.052 5.999 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -7.875 -12.208 7.452 1.00 0.00 H new ATOM 327 N ASP A 98 -4.433 -16.167 7.218 1.00 0.00 N ATOM 328 CA ASP A 98 -3.153 -16.781 6.887 1.00 0.00 C ATOM 329 C ASP A 98 -2.246 -15.780 6.182 1.00 0.00 C ATOM 330 O ASP A 98 -1.878 -15.968 5.021 1.00 0.00 O ATOM 331 CB ASP A 98 -3.365 -18.010 6.000 1.00 0.00 C ATOM 332 CG ASP A 98 -2.734 -19.259 6.583 1.00 0.00 C ATOM 333 OD1 ASP A 98 -1.878 -19.128 7.483 1.00 0.00 O ATOM 334 OD2 ASP A 98 -3.098 -20.370 6.140 1.00 0.00 O ATOM 0 H ASP A 98 -4.643 -16.141 8.216 1.00 0.00 H new ATOM 0 HA ASP A 98 -2.674 -17.094 7.815 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -4.434 -18.176 5.863 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -2.943 -17.820 5.013 1.00 0.00 H new ATOM 339 N ALA A 99 -1.896 -14.709 6.887 1.00 0.00 N ATOM 340 CA ALA A 99 -1.041 -13.672 6.325 1.00 0.00 C ATOM 341 C ALA A 99 0.318 -13.628 7.014 1.00 0.00 C ATOM 342 O ALA A 99 0.513 -14.224 8.073 1.00 0.00 O ATOM 343 CB ALA A 99 -1.722 -12.317 6.433 1.00 0.00 C ATOM 0 H ALA A 99 -2.192 -14.537 7.848 1.00 0.00 H new ATOM 0 HA ALA A 99 -0.875 -13.913 5.275 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -1.074 -11.549 6.010 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -2.664 -12.339 5.885 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -1.917 -12.090 7.481 1.00 0.00 H new ATOM 349 N LYS A 100 1.250 -12.908 6.401 1.00 0.00 N ATOM 350 CA LYS A 100 2.595 -12.763 6.944 1.00 0.00 C ATOM 351 C LYS A 100 2.978 -11.290 7.015 1.00 0.00 C ATOM 352 O LYS A 100 4.155 -10.936 6.949 1.00 0.00 O ATOM 353 CB LYS A 100 3.603 -13.527 6.083 1.00 0.00 C ATOM 354 CG LYS A 100 3.317 -15.017 5.992 1.00 0.00 C ATOM 355 CD LYS A 100 2.471 -15.348 4.773 1.00 0.00 C ATOM 356 CE LYS A 100 1.796 -16.702 4.915 1.00 0.00 C ATOM 357 NZ LYS A 100 1.620 -17.376 3.599 1.00 0.00 N ATOM 0 H LYS A 100 1.097 -12.413 5.522 1.00 0.00 H new ATOM 0 HA LYS A 100 2.609 -13.180 7.951 1.00 0.00 H new ATOM 0 HB2 LYS A 100 3.605 -13.104 5.079 1.00 0.00 H new ATOM 0 HB3 LYS A 100 4.603 -13.381 6.493 1.00 0.00 H new ATOM 0 HG2 LYS A 100 4.257 -15.567 5.944 1.00 0.00 H new ATOM 0 HG3 LYS A 100 2.801 -15.345 6.894 1.00 0.00 H new ATOM 0 HD2 LYS A 100 1.714 -14.576 4.633 1.00 0.00 H new ATOM 0 HD3 LYS A 100 3.098 -15.345 3.882 1.00 0.00 H new ATOM 0 HE2 LYS A 100 2.391 -17.337 5.571 1.00 0.00 H new ATOM 0 HE3 LYS A 100 0.823 -16.575 5.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 1.156 -18.296 3.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 1.031 -16.782 2.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 2.550 -17.521 3.156 1.00 0.00 H new ATOM 371 N ALA A 101 1.967 -10.436 7.144 1.00 0.00 N ATOM 372 CA ALA A 101 2.178 -8.998 7.221 1.00 0.00 C ATOM 373 C ALA A 101 2.708 -8.447 5.902 1.00 0.00 C ATOM 374 O ALA A 101 3.896 -8.566 5.599 1.00 0.00 O ATOM 375 CB ALA A 101 3.125 -8.662 8.359 1.00 0.00 C ATOM 0 H ALA A 101 0.989 -10.719 7.197 1.00 0.00 H new ATOM 0 HA ALA A 101 1.215 -8.526 7.417 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.272 -7.583 8.403 1.00 0.00 H new ATOM 0 HB2 ALA A 101 2.700 -9.009 9.301 1.00 0.00 H new ATOM 0 HB3 ALA A 101 4.084 -9.153 8.191 1.00 0.00 H new ATOM 381 N PHE A 102 1.818 -7.841 5.120 1.00 0.00 N ATOM 382 CA PHE A 102 2.195 -7.268 3.833 1.00 0.00 C ATOM 383 C PHE A 102 3.388 -6.330 3.990 1.00 0.00 C ATOM 384 O PHE A 102 4.035 -6.306 5.036 1.00 0.00 O ATOM 385 CB PHE A 102 1.010 -6.515 3.221 1.00 0.00 C ATOM 386 CG PHE A 102 0.289 -7.287 2.151 1.00 0.00 C ATOM 387 CD1 PHE A 102 0.972 -7.751 1.033 1.00 0.00 C ATOM 388 CD2 PHE A 102 -1.073 -7.550 2.262 1.00 0.00 C ATOM 389 CE1 PHE A 102 0.311 -8.463 0.044 1.00 0.00 C ATOM 390 CE2 PHE A 102 -1.739 -8.260 1.275 1.00 0.00 C ATOM 391 CZ PHE A 102 -1.047 -8.717 0.165 1.00 0.00 C ATOM 0 H PHE A 102 0.831 -7.735 5.356 1.00 0.00 H new ATOM 0 HA PHE A 102 2.480 -8.081 3.165 1.00 0.00 H new ATOM 0 HB2 PHE A 102 0.304 -6.262 4.012 1.00 0.00 H new ATOM 0 HB3 PHE A 102 1.367 -5.575 2.800 1.00 0.00 H new ATOM 0 HD1 PHE A 102 2.029 -7.555 0.934 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -1.617 -7.197 3.126 1.00 0.00 H new ATOM 0 HE1 PHE A 102 0.853 -8.819 -0.820 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -2.797 -8.457 1.371 1.00 0.00 H new ATOM 0 HZ PHE A 102 -1.564 -9.270 -0.605 1.00 0.00 H new ATOM 401 N ILE A 103 3.674 -5.558 2.947 1.00 0.00 N ATOM 402 CA ILE A 103 4.790 -4.620 2.978 1.00 0.00 C ATOM 403 C ILE A 103 4.545 -3.511 3.995 1.00 0.00 C ATOM 404 O ILE A 103 4.089 -2.423 3.645 1.00 0.00 O ATOM 405 CB ILE A 103 5.034 -3.990 1.595 1.00 0.00 C ATOM 406 CG1 ILE A 103 5.075 -5.072 0.515 1.00 0.00 C ATOM 407 CG2 ILE A 103 6.328 -3.188 1.598 1.00 0.00 C ATOM 408 CD1 ILE A 103 5.970 -6.242 0.865 1.00 0.00 C ATOM 0 H ILE A 103 3.150 -5.563 2.072 1.00 0.00 H new ATOM 0 HA ILE A 103 5.674 -5.188 3.269 1.00 0.00 H new ATOM 0 HB ILE A 103 4.210 -3.313 1.372 1.00 0.00 H new ATOM 0 HG12 ILE A 103 4.063 -5.438 0.340 1.00 0.00 H new ATOM 0 HG13 ILE A 103 5.419 -4.629 -0.419 1.00 0.00 H new ATOM 0 HG21 ILE A 103 6.486 -2.749 0.613 1.00 0.00 H new ATOM 0 HG22 ILE A 103 6.263 -2.395 2.343 1.00 0.00 H new ATOM 0 HG23 ILE A 103 7.163 -3.845 1.841 1.00 0.00 H new ATOM 0 HD11 ILE A 103 5.951 -6.970 0.054 1.00 0.00 H new ATOM 0 HD12 ILE A 103 6.991 -5.888 1.011 1.00 0.00 H new ATOM 0 HD13 ILE A 103 5.614 -6.711 1.782 1.00 0.00 H new ATOM 420 N GLU A 104 4.847 -3.797 5.257 1.00 0.00 N ATOM 421 CA GLU A 104 4.658 -2.826 6.330 1.00 0.00 C ATOM 422 C GLU A 104 5.787 -1.800 6.347 1.00 0.00 C ATOM 423 O GLU A 104 6.726 -1.880 5.555 1.00 0.00 O ATOM 424 CB GLU A 104 4.581 -3.538 7.680 1.00 0.00 C ATOM 425 CG GLU A 104 3.191 -3.525 8.296 1.00 0.00 C ATOM 426 CD GLU A 104 3.181 -2.956 9.700 1.00 0.00 C ATOM 427 OE1 GLU A 104 3.612 -3.666 10.633 1.00 0.00 O ATOM 428 OE2 GLU A 104 2.741 -1.798 9.868 1.00 0.00 O ATOM 0 H GLU A 104 5.224 -4.694 5.563 1.00 0.00 H new ATOM 0 HA GLU A 104 3.720 -2.301 6.148 1.00 0.00 H new ATOM 0 HB2 GLU A 104 4.905 -4.571 7.555 1.00 0.00 H new ATOM 0 HB3 GLU A 104 5.280 -3.066 8.371 1.00 0.00 H new ATOM 0 HG2 GLU A 104 2.524 -2.938 7.665 1.00 0.00 H new ATOM 0 HG3 GLU A 104 2.797 -4.541 8.317 1.00 0.00 H new ATOM 435 N VAL A 105 5.686 -0.836 7.256 1.00 0.00 N ATOM 436 CA VAL A 105 6.696 0.209 7.378 1.00 0.00 C ATOM 437 C VAL A 105 8.020 -0.360 7.875 1.00 0.00 C ATOM 438 O VAL A 105 8.048 -1.354 8.602 1.00 0.00 O ATOM 439 CB VAL A 105 6.240 1.322 8.339 1.00 0.00 C ATOM 440 CG1 VAL A 105 7.265 2.445 8.380 1.00 0.00 C ATOM 441 CG2 VAL A 105 4.873 1.850 7.932 1.00 0.00 C ATOM 0 H VAL A 105 4.915 -0.757 7.919 1.00 0.00 H new ATOM 0 HA VAL A 105 6.834 0.631 6.382 1.00 0.00 H new ATOM 0 HB VAL A 105 6.157 0.902 9.341 1.00 0.00 H new ATOM 0 HG11 VAL A 105 6.926 3.223 9.064 1.00 0.00 H new ATOM 0 HG12 VAL A 105 8.222 2.052 8.723 1.00 0.00 H new ATOM 0 HG13 VAL A 105 7.383 2.867 7.382 1.00 0.00 H new ATOM 0 HG21 VAL A 105 4.566 2.636 8.622 1.00 0.00 H new ATOM 0 HG22 VAL A 105 4.925 2.255 6.921 1.00 0.00 H new ATOM 0 HG23 VAL A 105 4.146 1.038 7.960 1.00 0.00 H new ATOM 451 N GLY A 106 9.117 0.275 7.476 1.00 0.00 N ATOM 452 CA GLY A 106 10.431 -0.179 7.891 1.00 0.00 C ATOM 453 C GLY A 106 10.950 -1.317 7.033 1.00 0.00 C ATOM 454 O GLY A 106 12.135 -1.649 7.083 1.00 0.00 O ATOM 0 H GLY A 106 9.119 1.097 6.872 1.00 0.00 H new ATOM 0 HA2 GLY A 106 11.131 0.655 7.845 1.00 0.00 H new ATOM 0 HA3 GLY A 106 10.388 -0.503 8.931 1.00 0.00 H new ATOM 458 N GLN A 107 10.064 -1.916 6.243 1.00 0.00 N ATOM 459 CA GLN A 107 10.444 -3.021 5.373 1.00 0.00 C ATOM 460 C GLN A 107 10.955 -2.504 4.031 1.00 0.00 C ATOM 461 O GLN A 107 10.795 -1.328 3.707 1.00 0.00 O ATOM 462 CB GLN A 107 9.253 -3.955 5.153 1.00 0.00 C ATOM 463 CG GLN A 107 9.501 -5.022 4.098 1.00 0.00 C ATOM 464 CD GLN A 107 8.368 -6.024 4.002 1.00 0.00 C ATOM 465 OE1 GLN A 107 7.563 -6.158 4.925 1.00 0.00 O ATOM 466 NE2 GLN A 107 8.299 -6.734 2.883 1.00 0.00 N ATOM 0 H GLN A 107 9.080 -1.654 6.188 1.00 0.00 H new ATOM 0 HA GLN A 107 11.247 -3.575 5.858 1.00 0.00 H new ATOM 0 HB2 GLN A 107 9.004 -4.440 6.097 1.00 0.00 H new ATOM 0 HB3 GLN A 107 8.386 -3.362 4.861 1.00 0.00 H new ATOM 0 HG2 GLN A 107 9.640 -4.543 3.129 1.00 0.00 H new ATOM 0 HG3 GLN A 107 10.427 -5.548 4.330 1.00 0.00 H new ATOM 0 HE21 GLN A 107 8.987 -6.590 2.144 1.00 0.00 H new ATOM 0 HE22 GLN A 107 7.558 -7.424 2.762 1.00 0.00 H new ATOM 475 N LYS A 108 11.570 -3.390 3.252 1.00 0.00 N ATOM 476 CA LYS A 108 12.102 -3.019 1.947 1.00 0.00 C ATOM 477 C LYS A 108 11.118 -3.376 0.838 1.00 0.00 C ATOM 478 O LYS A 108 10.083 -3.994 1.090 1.00 0.00 O ATOM 479 CB LYS A 108 13.441 -3.716 1.700 1.00 0.00 C ATOM 480 CG LYS A 108 13.544 -5.086 2.351 1.00 0.00 C ATOM 481 CD LYS A 108 14.149 -4.998 3.743 1.00 0.00 C ATOM 482 CE LYS A 108 14.478 -6.375 4.294 1.00 0.00 C ATOM 483 NZ LYS A 108 13.249 -7.175 4.561 1.00 0.00 N ATOM 0 H LYS A 108 11.711 -4.369 3.503 1.00 0.00 H new ATOM 0 HA LYS A 108 12.256 -1.940 1.939 1.00 0.00 H new ATOM 0 HB2 LYS A 108 13.593 -3.821 0.626 1.00 0.00 H new ATOM 0 HB3 LYS A 108 14.245 -3.083 2.076 1.00 0.00 H new ATOM 0 HG2 LYS A 108 12.553 -5.536 2.412 1.00 0.00 H new ATOM 0 HG3 LYS A 108 14.154 -5.741 1.729 1.00 0.00 H new ATOM 0 HD2 LYS A 108 15.054 -4.392 3.710 1.00 0.00 H new ATOM 0 HD3 LYS A 108 13.452 -4.494 4.413 1.00 0.00 H new ATOM 0 HE2 LYS A 108 15.111 -6.908 3.585 1.00 0.00 H new ATOM 0 HE3 LYS A 108 15.050 -6.270 5.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 13.516 -8.108 4.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 12.656 -6.679 5.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 12.716 -7.297 3.677 1.00 0.00 H new ATOM 497 N VAL A 109 11.447 -2.985 -0.387 1.00 0.00 N ATOM 498 CA VAL A 109 10.591 -3.264 -1.533 1.00 0.00 C ATOM 499 C VAL A 109 11.377 -3.197 -2.837 1.00 0.00 C ATOM 500 O VAL A 109 12.514 -2.728 -2.865 1.00 0.00 O ATOM 501 CB VAL A 109 9.411 -2.276 -1.607 1.00 0.00 C ATOM 502 CG1 VAL A 109 8.186 -2.852 -0.913 1.00 0.00 C ATOM 503 CG2 VAL A 109 9.799 -0.937 -0.998 1.00 0.00 C ATOM 0 H VAL A 109 12.300 -2.474 -0.612 1.00 0.00 H new ATOM 0 HA VAL A 109 10.203 -4.273 -1.398 1.00 0.00 H new ATOM 0 HB VAL A 109 9.161 -2.114 -2.656 1.00 0.00 H new ATOM 0 HG11 VAL A 109 7.363 -2.140 -0.976 1.00 0.00 H new ATOM 0 HG12 VAL A 109 7.897 -3.784 -1.399 1.00 0.00 H new ATOM 0 HG13 VAL A 109 8.419 -3.046 0.134 1.00 0.00 H new ATOM 0 HG21 VAL A 109 8.954 -0.251 -1.059 1.00 0.00 H new ATOM 0 HG22 VAL A 109 10.077 -1.079 0.046 1.00 0.00 H new ATOM 0 HG23 VAL A 109 10.645 -0.520 -1.545 1.00 0.00 H new ATOM 513 N ASN A 110 10.762 -3.671 -3.917 1.00 0.00 N ATOM 514 CA ASN A 110 11.403 -3.666 -5.226 1.00 0.00 C ATOM 515 C ASN A 110 10.403 -4.015 -6.322 1.00 0.00 C ATOM 516 O ASN A 110 9.653 -4.984 -6.205 1.00 0.00 O ATOM 517 CB ASN A 110 12.571 -4.655 -5.250 1.00 0.00 C ATOM 518 CG ASN A 110 12.289 -5.903 -4.436 1.00 0.00 C ATOM 519 OD1 ASN A 110 12.676 -5.997 -3.271 1.00 0.00 O ATOM 520 ND2 ASN A 110 11.613 -6.868 -5.046 1.00 0.00 N ATOM 0 H ASN A 110 9.820 -4.063 -3.910 1.00 0.00 H new ATOM 0 HA ASN A 110 11.783 -2.662 -5.413 1.00 0.00 H new ATOM 0 HB2 ASN A 110 12.783 -4.937 -6.281 1.00 0.00 H new ATOM 0 HB3 ASN A 110 13.465 -4.166 -4.863 1.00 0.00 H new ATOM 0 HD21 ASN A 110 11.394 -7.731 -4.548 1.00 0.00 H new ATOM 0 HD22 ASN A 110 11.312 -6.747 -6.013 1.00 0.00 H new ATOM 527 N VAL A 111 10.397 -3.219 -7.386 1.00 0.00 N ATOM 528 CA VAL A 111 9.488 -3.444 -8.503 1.00 0.00 C ATOM 529 C VAL A 111 9.276 -4.933 -8.749 1.00 0.00 C ATOM 530 O VAL A 111 10.046 -5.570 -9.469 1.00 0.00 O ATOM 531 CB VAL A 111 10.015 -2.792 -9.795 1.00 0.00 C ATOM 532 CG1 VAL A 111 8.986 -2.904 -10.910 1.00 0.00 C ATOM 533 CG2 VAL A 111 10.385 -1.338 -9.546 1.00 0.00 C ATOM 0 H VAL A 111 11.011 -2.413 -7.498 1.00 0.00 H new ATOM 0 HA VAL A 111 8.537 -2.985 -8.234 1.00 0.00 H new ATOM 0 HB VAL A 111 10.913 -3.324 -10.108 1.00 0.00 H new ATOM 0 HG11 VAL A 111 9.377 -2.438 -11.814 1.00 0.00 H new ATOM 0 HG12 VAL A 111 8.775 -3.955 -11.106 1.00 0.00 H new ATOM 0 HG13 VAL A 111 8.068 -2.400 -10.610 1.00 0.00 H new ATOM 0 HG21 VAL A 111 10.755 -0.893 -10.470 1.00 0.00 H new ATOM 0 HG22 VAL A 111 9.505 -0.791 -9.208 1.00 0.00 H new ATOM 0 HG23 VAL A 111 11.160 -1.286 -8.782 1.00 0.00 H new ATOM 543 N GLY A 112 8.228 -5.484 -8.147 1.00 0.00 N ATOM 544 CA GLY A 112 7.934 -6.896 -8.312 1.00 0.00 C ATOM 545 C GLY A 112 7.240 -7.490 -7.103 1.00 0.00 C ATOM 546 O GLY A 112 6.317 -8.293 -7.241 1.00 0.00 O ATOM 0 H GLY A 112 7.576 -4.978 -7.547 1.00 0.00 H new ATOM 0 HA2 GLY A 112 7.305 -7.032 -9.191 1.00 0.00 H new ATOM 0 HA3 GLY A 112 8.862 -7.438 -8.497 1.00 0.00 H new ATOM 550 N ASP A 113 7.687 -7.096 -5.915 1.00 0.00 N ATOM 551 CA ASP A 113 7.103 -7.595 -4.674 1.00 0.00 C ATOM 552 C ASP A 113 5.683 -7.069 -4.489 1.00 0.00 C ATOM 553 O ASP A 113 5.297 -6.068 -5.093 1.00 0.00 O ATOM 554 CB ASP A 113 7.969 -7.191 -3.481 1.00 0.00 C ATOM 555 CG ASP A 113 8.634 -8.383 -2.820 1.00 0.00 C ATOM 556 OD1 ASP A 113 8.485 -9.509 -3.339 1.00 0.00 O ATOM 557 OD2 ASP A 113 9.303 -8.189 -1.783 1.00 0.00 O ATOM 0 H ASP A 113 8.451 -6.433 -5.785 1.00 0.00 H new ATOM 0 HA ASP A 113 7.062 -8.683 -4.733 1.00 0.00 H new ATOM 0 HB2 ASP A 113 8.734 -6.489 -3.812 1.00 0.00 H new ATOM 0 HB3 ASP A 113 7.353 -6.669 -2.748 1.00 0.00 H new ATOM 562 N THR A 114 4.911 -7.749 -3.648 1.00 0.00 N ATOM 563 CA THR A 114 3.533 -7.349 -3.382 1.00 0.00 C ATOM 564 C THR A 114 3.488 -6.033 -2.613 1.00 0.00 C ATOM 565 O THR A 114 4.520 -5.407 -2.373 1.00 0.00 O ATOM 566 CB THR A 114 2.806 -8.440 -2.595 1.00 0.00 C ATOM 567 OG1 THR A 114 3.519 -9.662 -2.656 1.00 0.00 O ATOM 568 CG2 THR A 114 1.401 -8.702 -3.094 1.00 0.00 C ATOM 0 H THR A 114 5.215 -8.579 -3.139 1.00 0.00 H new ATOM 0 HA THR A 114 3.031 -7.207 -4.339 1.00 0.00 H new ATOM 0 HB THR A 114 2.747 -8.068 -1.572 1.00 0.00 H new ATOM 0 HG1 THR A 114 3.039 -10.347 -2.145 1.00 0.00 H new ATOM 0 HG21 THR A 114 0.942 -9.487 -2.493 1.00 0.00 H new ATOM 0 HG22 THR A 114 0.810 -7.790 -3.013 1.00 0.00 H new ATOM 0 HG23 THR A 114 1.438 -9.019 -4.136 1.00 0.00 H new ATOM 576 N LEU A 115 2.285 -5.616 -2.231 1.00 0.00 N ATOM 577 CA LEU A 115 2.106 -4.373 -1.490 1.00 0.00 C ATOM 578 C LEU A 115 1.054 -4.535 -0.397 1.00 0.00 C ATOM 579 O LEU A 115 1.373 -4.532 0.792 1.00 0.00 O ATOM 580 CB LEU A 115 1.703 -3.243 -2.439 1.00 0.00 C ATOM 581 CG LEU A 115 1.663 -1.850 -1.807 1.00 0.00 C ATOM 582 CD1 LEU A 115 2.872 -1.034 -2.239 1.00 0.00 C ATOM 583 CD2 LEU A 115 0.373 -1.134 -2.179 1.00 0.00 C ATOM 0 H LEU A 115 1.420 -6.121 -2.423 1.00 0.00 H new ATOM 0 HA LEU A 115 3.056 -4.121 -1.018 1.00 0.00 H new ATOM 0 HB2 LEU A 115 2.401 -3.226 -3.276 1.00 0.00 H new ATOM 0 HB3 LEU A 115 0.719 -3.468 -2.850 1.00 0.00 H new ATOM 0 HG LEU A 115 1.694 -1.961 -0.723 1.00 0.00 H new ATOM 0 HD11 LEU A 115 2.827 -0.046 -1.780 1.00 0.00 H new ATOM 0 HD12 LEU A 115 3.784 -1.540 -1.923 1.00 0.00 H new ATOM 0 HD13 LEU A 115 2.872 -0.930 -3.324 1.00 0.00 H new ATOM 0 HD21 LEU A 115 0.361 -0.145 -1.721 1.00 0.00 H new ATOM 0 HD22 LEU A 115 0.312 -1.033 -3.263 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -0.480 -1.710 -1.820 1.00 0.00 H new ATOM 595 N CYS A 116 -0.202 -4.679 -0.808 1.00 0.00 N ATOM 596 CA CYS A 116 -1.302 -4.844 0.134 1.00 0.00 C ATOM 597 C CYS A 116 -2.638 -4.914 -0.598 1.00 0.00 C ATOM 598 O CYS A 116 -2.751 -4.474 -1.742 1.00 0.00 O ATOM 599 CB CYS A 116 -1.320 -3.693 1.142 1.00 0.00 C ATOM 600 SG CYS A 116 -1.054 -4.208 2.854 1.00 0.00 S ATOM 0 H CYS A 116 -0.483 -4.685 -1.789 1.00 0.00 H new ATOM 0 HA CYS A 116 -1.150 -5.782 0.669 1.00 0.00 H new ATOM 0 HB2 CYS A 116 -0.551 -2.971 0.867 1.00 0.00 H new ATOM 0 HB3 CYS A 116 -2.279 -3.179 1.073 1.00 0.00 H new ATOM 0 HG CYS A 116 -1.146 -5.502 2.937 1.00 0.00 H new ATOM 606 N ILE A 117 -3.647 -5.469 0.067 1.00 0.00 N ATOM 607 CA ILE A 117 -4.974 -5.597 -0.525 1.00 0.00 C ATOM 608 C ILE A 117 -5.709 -4.260 -0.540 1.00 0.00 C ATOM 609 O ILE A 117 -5.563 -3.446 0.372 1.00 0.00 O ATOM 610 CB ILE A 117 -5.834 -6.634 0.231 1.00 0.00 C ATOM 611 CG1 ILE A 117 -5.331 -8.050 -0.043 1.00 0.00 C ATOM 612 CG2 ILE A 117 -7.295 -6.512 -0.172 1.00 0.00 C ATOM 613 CD1 ILE A 117 -5.145 -8.878 1.209 1.00 0.00 C ATOM 0 H ILE A 117 -3.571 -5.837 1.015 1.00 0.00 H new ATOM 0 HA ILE A 117 -4.825 -5.936 -1.550 1.00 0.00 H new ATOM 0 HB ILE A 117 -5.748 -6.433 1.299 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -6.036 -8.556 -0.702 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -4.382 -7.993 -0.575 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -7.885 -7.250 0.371 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -7.656 -5.512 0.067 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -7.393 -6.686 -1.244 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -4.786 -9.871 0.938 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -4.417 -8.394 1.860 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -6.097 -8.966 1.732 1.00 0.00 H new ATOM 625 N VAL A 118 -6.511 -4.052 -1.579 1.00 0.00 N ATOM 626 CA VAL A 118 -7.288 -2.827 -1.719 1.00 0.00 C ATOM 627 C VAL A 118 -8.717 -3.049 -1.235 1.00 0.00 C ATOM 628 O VAL A 118 -9.351 -2.146 -0.691 1.00 0.00 O ATOM 629 CB VAL A 118 -7.328 -2.353 -3.188 1.00 0.00 C ATOM 630 CG1 VAL A 118 -8.418 -1.313 -3.394 1.00 0.00 C ATOM 631 CG2 VAL A 118 -5.976 -1.805 -3.616 1.00 0.00 C ATOM 0 H VAL A 118 -6.640 -4.720 -2.339 1.00 0.00 H new ATOM 0 HA VAL A 118 -6.804 -2.062 -1.113 1.00 0.00 H new ATOM 0 HB VAL A 118 -7.560 -3.215 -3.813 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -8.425 -0.995 -4.437 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -9.386 -1.745 -3.139 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -8.225 -0.452 -2.754 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -6.028 -1.477 -4.654 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -5.709 -0.960 -2.982 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -5.220 -2.585 -3.519 1.00 0.00 H new ATOM 641 N GLU A 119 -9.212 -4.263 -1.444 1.00 0.00 N ATOM 642 CA GLU A 119 -10.564 -4.625 -1.040 1.00 0.00 C ATOM 643 C GLU A 119 -11.536 -3.478 -1.286 1.00 0.00 C ATOM 644 O GLU A 119 -12.176 -2.981 -0.357 1.00 0.00 O ATOM 645 CB GLU A 119 -10.590 -5.024 0.437 1.00 0.00 C ATOM 646 CG GLU A 119 -11.350 -6.313 0.702 1.00 0.00 C ATOM 647 CD GLU A 119 -11.006 -7.408 -0.290 1.00 0.00 C ATOM 648 OE1 GLU A 119 -10.024 -8.140 -0.048 1.00 0.00 O ATOM 649 OE2 GLU A 119 -11.717 -7.531 -1.309 1.00 0.00 O ATOM 0 H GLU A 119 -8.693 -5.017 -1.894 1.00 0.00 H new ATOM 0 HA GLU A 119 -10.878 -5.476 -1.645 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -9.566 -5.135 0.793 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -11.043 -4.219 1.015 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -11.129 -6.660 1.711 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -12.421 -6.114 0.661 1.00 0.00 H new ATOM 656 N ALA A 120 -11.647 -3.064 -2.543 1.00 0.00 N ATOM 657 CA ALA A 120 -12.549 -1.979 -2.914 1.00 0.00 C ATOM 658 C ALA A 120 -13.907 -2.522 -3.348 1.00 0.00 C ATOM 659 O ALA A 120 -14.832 -1.760 -3.626 1.00 0.00 O ATOM 660 CB ALA A 120 -11.934 -1.137 -4.022 1.00 0.00 C ATOM 0 H ALA A 120 -11.124 -3.463 -3.323 1.00 0.00 H new ATOM 0 HA ALA A 120 -12.702 -1.348 -2.038 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -12.618 -0.331 -4.289 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -10.991 -0.713 -3.676 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -11.752 -1.763 -4.896 1.00 0.00 H new ATOM 666 N MET A 121 -14.017 -3.847 -3.404 1.00 0.00 N ATOM 667 CA MET A 121 -15.257 -4.499 -3.802 1.00 0.00 C ATOM 668 C MET A 121 -15.147 -6.009 -3.622 1.00 0.00 C ATOM 669 O MET A 121 -15.589 -6.780 -4.473 1.00 0.00 O ATOM 670 CB MET A 121 -15.583 -4.172 -5.261 1.00 0.00 C ATOM 671 CG MET A 121 -14.660 -4.855 -6.258 1.00 0.00 C ATOM 672 SD MET A 121 -15.554 -5.604 -7.633 1.00 0.00 S ATOM 673 CE MET A 121 -14.289 -5.603 -8.901 1.00 0.00 C ATOM 0 H MET A 121 -13.258 -4.490 -3.178 1.00 0.00 H new ATOM 0 HA MET A 121 -16.061 -4.127 -3.166 1.00 0.00 H new ATOM 0 HB2 MET A 121 -16.611 -4.467 -5.470 1.00 0.00 H new ATOM 0 HB3 MET A 121 -15.525 -3.093 -5.405 1.00 0.00 H new ATOM 0 HG2 MET A 121 -13.948 -4.126 -6.646 1.00 0.00 H new ATOM 0 HG3 MET A 121 -14.082 -5.623 -5.744 1.00 0.00 H new ATOM 0 HE1 MET A 121 -14.469 -6.424 -9.595 1.00 0.00 H new ATOM 0 HE2 MET A 121 -14.317 -4.657 -9.442 1.00 0.00 H new ATOM 0 HE3 MET A 121 -13.310 -5.727 -8.438 1.00 0.00 H new ATOM 683 N LYS A 122 -14.547 -6.424 -2.511 1.00 0.00 N ATOM 684 CA LYS A 122 -14.371 -7.842 -2.227 1.00 0.00 C ATOM 685 C LYS A 122 -13.523 -8.496 -3.310 1.00 0.00 C ATOM 686 O LYS A 122 -13.621 -9.700 -3.551 1.00 0.00 O ATOM 687 CB LYS A 122 -15.728 -8.540 -2.130 1.00 0.00 C ATOM 688 CG LYS A 122 -15.707 -9.801 -1.283 1.00 0.00 C ATOM 689 CD LYS A 122 -14.974 -9.578 0.030 1.00 0.00 C ATOM 690 CE LYS A 122 -15.478 -8.335 0.744 1.00 0.00 C ATOM 691 NZ LYS A 122 -14.938 -8.222 2.095 1.00 0.00 N ATOM 0 H LYS A 122 -14.176 -5.800 -1.795 1.00 0.00 H new ATOM 0 HA LYS A 122 -13.858 -7.941 -1.270 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -16.455 -7.844 -1.712 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -16.069 -8.793 -3.134 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -16.729 -10.122 -1.081 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -15.225 -10.605 -1.838 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -15.106 -10.448 0.674 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -13.905 -9.481 -0.160 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -15.203 -7.451 0.169 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -16.567 -8.360 0.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -15.307 -7.361 2.546 1.00 0.00 H new ATOM 702 N MET A 123 -12.695 -7.689 -3.966 1.00 0.00 N ATOM 703 CA MET A 123 -11.831 -8.179 -5.033 1.00 0.00 C ATOM 704 C MET A 123 -10.421 -8.459 -4.518 1.00 0.00 C ATOM 705 O MET A 123 -9.558 -8.910 -5.271 1.00 0.00 O ATOM 706 CB MET A 123 -11.782 -7.164 -6.179 1.00 0.00 C ATOM 707 CG MET A 123 -11.233 -5.804 -5.774 1.00 0.00 C ATOM 708 SD MET A 123 -10.689 -4.827 -7.191 1.00 0.00 S ATOM 709 CE MET A 123 -10.487 -3.211 -6.442 1.00 0.00 C ATOM 0 H MET A 123 -12.605 -6.691 -3.776 1.00 0.00 H new ATOM 0 HA MET A 123 -12.248 -9.116 -5.402 1.00 0.00 H new ATOM 0 HB2 MET A 123 -11.168 -7.568 -6.983 1.00 0.00 H new ATOM 0 HB3 MET A 123 -12.787 -7.035 -6.580 1.00 0.00 H new ATOM 0 HG2 MET A 123 -12.001 -5.253 -5.231 1.00 0.00 H new ATOM 0 HG3 MET A 123 -10.396 -5.943 -5.090 1.00 0.00 H new ATOM 0 HE1 MET A 123 -9.603 -2.726 -6.856 1.00 0.00 H new ATOM 0 HE2 MET A 123 -11.366 -2.601 -6.650 1.00 0.00 H new ATOM 0 HE3 MET A 123 -10.369 -3.322 -5.364 1.00 0.00 H new ATOM 719 N MET A 124 -10.192 -8.192 -3.234 1.00 0.00 N ATOM 720 CA MET A 124 -8.887 -8.417 -2.626 1.00 0.00 C ATOM 721 C MET A 124 -7.771 -8.118 -3.619 1.00 0.00 C ATOM 722 O MET A 124 -6.748 -8.803 -3.649 1.00 0.00 O ATOM 723 CB MET A 124 -8.775 -9.859 -2.127 1.00 0.00 C ATOM 724 CG MET A 124 -10.106 -10.463 -1.711 1.00 0.00 C ATOM 725 SD MET A 124 -10.019 -11.305 -0.119 1.00 0.00 S ATOM 726 CE MET A 124 -11.466 -10.634 0.698 1.00 0.00 C ATOM 0 H MET A 124 -10.895 -7.819 -2.596 1.00 0.00 H new ATOM 0 HA MET A 124 -8.784 -7.741 -1.777 1.00 0.00 H new ATOM 0 HB2 MET A 124 -8.336 -10.474 -2.913 1.00 0.00 H new ATOM 0 HB3 MET A 124 -8.091 -9.889 -1.279 1.00 0.00 H new ATOM 0 HG2 MET A 124 -10.858 -9.676 -1.661 1.00 0.00 H new ATOM 0 HG3 MET A 124 -10.434 -11.169 -2.474 1.00 0.00 H new ATOM 0 HE1 MET A 124 -11.154 -9.995 1.524 1.00 0.00 H new ATOM 0 HE2 MET A 124 -12.047 -10.048 -0.014 1.00 0.00 H new ATOM 0 HE3 MET A 124 -12.079 -11.450 1.081 1.00 0.00 H new ATOM 736 N ASN A 125 -7.979 -7.088 -4.429 1.00 0.00 N ATOM 737 CA ASN A 125 -6.995 -6.687 -5.428 1.00 0.00 C ATOM 738 C ASN A 125 -5.782 -6.055 -4.761 1.00 0.00 C ATOM 739 O ASN A 125 -5.723 -4.839 -4.581 1.00 0.00 O ATOM 740 CB ASN A 125 -7.618 -5.701 -6.414 1.00 0.00 C ATOM 741 CG ASN A 125 -8.037 -4.413 -5.739 1.00 0.00 C ATOM 742 OD1 ASN A 125 -8.894 -4.415 -4.854 1.00 0.00 O ATOM 743 ND2 ASN A 125 -7.427 -3.306 -6.145 1.00 0.00 N ATOM 0 H ASN A 125 -8.822 -6.514 -4.414 1.00 0.00 H new ATOM 0 HA ASN A 125 -6.672 -7.577 -5.969 1.00 0.00 H new ATOM 0 HB2 ASN A 125 -6.903 -5.479 -7.206 1.00 0.00 H new ATOM 0 HB3 ASN A 125 -8.485 -6.161 -6.888 1.00 0.00 H new ATOM 0 HD21 ASN A 125 -7.662 -2.409 -5.720 1.00 0.00 H new ATOM 0 HD22 ASN A 125 -6.723 -3.352 -6.882 1.00 0.00 H new ATOM 750 N GLN A 126 -4.818 -6.888 -4.388 1.00 0.00 N ATOM 751 CA GLN A 126 -3.610 -6.409 -3.732 1.00 0.00 C ATOM 752 C GLN A 126 -2.595 -5.899 -4.748 1.00 0.00 C ATOM 753 O GLN A 126 -2.353 -6.533 -5.775 1.00 0.00 O ATOM 754 CB GLN A 126 -2.994 -7.522 -2.883 1.00 0.00 C ATOM 755 CG GLN A 126 -2.296 -8.596 -3.702 1.00 0.00 C ATOM 756 CD GLN A 126 -2.338 -9.956 -3.034 1.00 0.00 C ATOM 757 OE1 GLN A 126 -1.356 -10.400 -2.439 1.00 0.00 O ATOM 758 NE2 GLN A 126 -3.481 -10.627 -3.128 1.00 0.00 N ATOM 0 H GLN A 126 -4.850 -7.898 -4.529 1.00 0.00 H new ATOM 0 HA GLN A 126 -3.885 -5.577 -3.084 1.00 0.00 H new ATOM 0 HB2 GLN A 126 -2.278 -7.084 -2.188 1.00 0.00 H new ATOM 0 HB3 GLN A 126 -3.777 -7.986 -2.283 1.00 0.00 H new ATOM 0 HG2 GLN A 126 -2.766 -8.662 -4.683 1.00 0.00 H new ATOM 0 HG3 GLN A 126 -1.258 -8.307 -3.865 1.00 0.00 H new ATOM 0 HE21 GLN A 126 -4.271 -10.222 -3.631 1.00 0.00 H new ATOM 0 HE22 GLN A 126 -3.569 -11.547 -2.697 1.00 0.00 H new ATOM 767 N ILE A 127 -2.005 -4.745 -4.451 1.00 0.00 N ATOM 768 CA ILE A 127 -1.014 -4.141 -5.333 1.00 0.00 C ATOM 769 C ILE A 127 0.380 -4.687 -5.053 1.00 0.00 C ATOM 770 O ILE A 127 0.628 -5.277 -4.001 1.00 0.00 O ATOM 771 CB ILE A 127 -0.989 -2.608 -5.180 1.00 0.00 C ATOM 772 CG1 ILE A 127 -2.400 -2.034 -5.302 1.00 0.00 C ATOM 773 CG2 ILE A 127 -0.066 -1.988 -6.218 1.00 0.00 C ATOM 774 CD1 ILE A 127 -3.230 -2.691 -6.384 1.00 0.00 C ATOM 0 H ILE A 127 -2.197 -4.209 -3.605 1.00 0.00 H new ATOM 0 HA ILE A 127 -1.303 -4.396 -6.353 1.00 0.00 H new ATOM 0 HB ILE A 127 -0.606 -2.364 -4.189 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -2.912 -2.144 -4.346 1.00 0.00 H new ATOM 0 HG13 ILE A 127 -2.332 -0.965 -5.506 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -0.059 -0.905 -6.098 1.00 0.00 H new ATOM 0 HG22 ILE A 127 0.944 -2.375 -6.084 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -0.421 -2.240 -7.217 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -4.219 -2.233 -6.413 1.00 0.00 H new ATOM 0 HD12 ILE A 127 -2.741 -2.559 -7.349 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -3.329 -3.755 -6.171 1.00 0.00 H new ATOM 786 N GLU A 128 1.288 -4.484 -6.002 1.00 0.00 N ATOM 787 CA GLU A 128 2.662 -4.952 -5.861 1.00 0.00 C ATOM 788 C GLU A 128 3.643 -3.791 -5.983 1.00 0.00 C ATOM 789 O GLU A 128 3.629 -3.055 -6.970 1.00 0.00 O ATOM 790 CB GLU A 128 2.973 -6.011 -6.921 1.00 0.00 C ATOM 791 CG GLU A 128 2.433 -7.391 -6.582 1.00 0.00 C ATOM 792 CD GLU A 128 1.981 -8.158 -7.809 1.00 0.00 C ATOM 793 OE1 GLU A 128 2.027 -7.586 -8.918 1.00 0.00 O ATOM 794 OE2 GLU A 128 1.584 -9.333 -7.662 1.00 0.00 O ATOM 0 H GLU A 128 1.097 -3.998 -6.878 1.00 0.00 H new ATOM 0 HA GLU A 128 2.771 -5.396 -4.872 1.00 0.00 H new ATOM 0 HB2 GLU A 128 2.555 -5.691 -7.875 1.00 0.00 H new ATOM 0 HB3 GLU A 128 4.053 -6.075 -7.052 1.00 0.00 H new ATOM 0 HG2 GLU A 128 3.204 -7.962 -6.065 1.00 0.00 H new ATOM 0 HG3 GLU A 128 1.595 -7.290 -5.892 1.00 0.00 H new ATOM 801 N ALA A 129 4.494 -3.631 -4.974 1.00 0.00 N ATOM 802 CA ALA A 129 5.481 -2.557 -4.968 1.00 0.00 C ATOM 803 C ALA A 129 6.008 -2.287 -6.374 1.00 0.00 C ATOM 804 O ALA A 129 6.451 -3.202 -7.067 1.00 0.00 O ATOM 805 CB ALA A 129 6.629 -2.900 -4.031 1.00 0.00 C ATOM 0 H ALA A 129 4.520 -4.232 -4.150 1.00 0.00 H new ATOM 0 HA ALA A 129 4.992 -1.651 -4.610 1.00 0.00 H new ATOM 0 HB1 ALA A 129 7.358 -2.090 -4.037 1.00 0.00 H new ATOM 0 HB2 ALA A 129 6.245 -3.036 -3.020 1.00 0.00 H new ATOM 0 HB3 ALA A 129 7.108 -3.821 -4.364 1.00 0.00 H new ATOM 811 N ASP A 130 5.958 -1.024 -6.787 1.00 0.00 N ATOM 812 CA ASP A 130 6.432 -0.633 -8.109 1.00 0.00 C ATOM 813 C ASP A 130 7.744 0.138 -8.008 1.00 0.00 C ATOM 814 O ASP A 130 8.466 0.286 -8.994 1.00 0.00 O ATOM 815 CB ASP A 130 5.379 0.218 -8.821 1.00 0.00 C ATOM 816 CG ASP A 130 4.616 1.112 -7.863 1.00 0.00 C ATOM 817 OD1 ASP A 130 5.205 2.099 -7.375 1.00 0.00 O ATOM 818 OD2 ASP A 130 3.429 0.826 -7.601 1.00 0.00 O ATOM 0 H ASP A 130 5.594 -0.255 -6.225 1.00 0.00 H new ATOM 0 HA ASP A 130 6.607 -1.539 -8.689 1.00 0.00 H new ATOM 0 HB2 ASP A 130 5.864 0.833 -9.579 1.00 0.00 H new ATOM 0 HB3 ASP A 130 4.678 -0.435 -9.341 1.00 0.00 H new ATOM 823 N LYS A 131 8.045 0.628 -6.810 1.00 0.00 N ATOM 824 CA LYS A 131 9.270 1.384 -6.579 1.00 0.00 C ATOM 825 C LYS A 131 10.056 0.800 -5.408 1.00 0.00 C ATOM 826 O LYS A 131 9.611 0.851 -4.262 1.00 0.00 O ATOM 827 CB LYS A 131 8.945 2.854 -6.310 1.00 0.00 C ATOM 828 CG LYS A 131 9.674 3.817 -7.233 1.00 0.00 C ATOM 829 CD LYS A 131 8.726 4.851 -7.820 1.00 0.00 C ATOM 830 CE LYS A 131 8.643 4.734 -9.333 1.00 0.00 C ATOM 831 NZ LYS A 131 8.359 6.045 -9.977 1.00 0.00 N ATOM 0 H LYS A 131 7.457 0.515 -5.984 1.00 0.00 H new ATOM 0 HA LYS A 131 9.885 1.315 -7.476 1.00 0.00 H new ATOM 0 HB2 LYS A 131 7.871 3.005 -6.416 1.00 0.00 H new ATOM 0 HB3 LYS A 131 9.200 3.091 -5.277 1.00 0.00 H new ATOM 0 HG2 LYS A 131 10.468 4.321 -6.681 1.00 0.00 H new ATOM 0 HG3 LYS A 131 10.151 3.260 -8.039 1.00 0.00 H new ATOM 0 HD2 LYS A 131 7.733 4.722 -7.389 1.00 0.00 H new ATOM 0 HD3 LYS A 131 9.064 5.851 -7.549 1.00 0.00 H new ATOM 0 HE2 LYS A 131 9.582 4.336 -9.718 1.00 0.00 H new ATOM 0 HE3 LYS A 131 7.862 4.022 -9.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 8.310 5.922 -11.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 7.451 6.413 -9.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 9.117 6.718 -9.744 1.00 0.00 H new ATOM 845 N SER A 132 11.226 0.246 -5.706 1.00 0.00 N ATOM 846 CA SER A 132 12.075 -0.349 -4.679 1.00 0.00 C ATOM 847 C SER A 132 12.410 0.667 -3.593 1.00 0.00 C ATOM 848 O SER A 132 12.003 1.826 -3.665 1.00 0.00 O ATOM 849 CB SER A 132 13.363 -0.889 -5.303 1.00 0.00 C ATOM 850 OG SER A 132 13.128 -1.386 -6.610 1.00 0.00 O ATOM 0 H SER A 132 11.609 0.196 -6.650 1.00 0.00 H new ATOM 0 HA SER A 132 11.527 -1.173 -4.223 1.00 0.00 H new ATOM 0 HB2 SER A 132 14.112 -0.098 -5.341 1.00 0.00 H new ATOM 0 HB3 SER A 132 13.769 -1.683 -4.676 1.00 0.00 H new ATOM 0 HG SER A 132 13.967 -1.724 -6.987 1.00 0.00 H new ATOM 856 N GLY A 133 13.153 0.222 -2.584 1.00 0.00 N ATOM 857 CA GLY A 133 13.530 1.104 -1.495 1.00 0.00 C ATOM 858 C GLY A 133 12.981 0.641 -0.160 1.00 0.00 C ATOM 859 O GLY A 133 12.473 -0.474 -0.043 1.00 0.00 O ATOM 0 H GLY A 133 13.500 -0.733 -2.501 1.00 0.00 H new ATOM 0 HA2 GLY A 133 14.617 1.162 -1.437 1.00 0.00 H new ATOM 0 HA3 GLY A 133 13.168 2.111 -1.704 1.00 0.00 H new ATOM 863 N THR A 134 13.086 1.498 0.850 1.00 0.00 N ATOM 864 CA THR A 134 12.597 1.170 2.184 1.00 0.00 C ATOM 865 C THR A 134 11.412 2.054 2.561 1.00 0.00 C ATOM 866 O THR A 134 11.573 3.245 2.827 1.00 0.00 O ATOM 867 CB THR A 134 13.716 1.331 3.214 1.00 0.00 C ATOM 868 OG1 THR A 134 14.785 0.446 2.934 1.00 0.00 O ATOM 869 CG2 THR A 134 13.265 1.070 4.634 1.00 0.00 C ATOM 0 H THR A 134 13.505 2.424 0.770 1.00 0.00 H new ATOM 0 HA THR A 134 12.266 0.132 2.177 1.00 0.00 H new ATOM 0 HB THR A 134 14.033 2.371 3.136 1.00 0.00 H new ATOM 0 HG1 THR A 134 15.492 0.565 3.602 1.00 0.00 H new ATOM 0 HG21 THR A 134 14.107 1.201 5.313 1.00 0.00 H new ATOM 0 HG22 THR A 134 12.473 1.770 4.899 1.00 0.00 H new ATOM 0 HG23 THR A 134 12.890 0.050 4.715 1.00 0.00 H new ATOM 877 N VAL A 135 10.222 1.463 2.581 1.00 0.00 N ATOM 878 CA VAL A 135 9.011 2.196 2.926 1.00 0.00 C ATOM 879 C VAL A 135 9.244 3.107 4.126 1.00 0.00 C ATOM 880 O VAL A 135 9.692 2.657 5.181 1.00 0.00 O ATOM 881 CB VAL A 135 7.844 1.241 3.241 1.00 0.00 C ATOM 882 CG1 VAL A 135 6.659 2.011 3.803 1.00 0.00 C ATOM 883 CG2 VAL A 135 7.442 0.461 1.999 1.00 0.00 C ATOM 0 H VAL A 135 10.071 0.478 2.362 1.00 0.00 H new ATOM 0 HA VAL A 135 8.750 2.801 2.057 1.00 0.00 H new ATOM 0 HB VAL A 135 8.176 0.529 3.997 1.00 0.00 H new ATOM 0 HG11 VAL A 135 5.845 1.319 4.019 1.00 0.00 H new ATOM 0 HG12 VAL A 135 6.957 2.519 4.720 1.00 0.00 H new ATOM 0 HG13 VAL A 135 6.325 2.748 3.073 1.00 0.00 H new ATOM 0 HG21 VAL A 135 6.616 -0.208 2.241 1.00 0.00 H new ATOM 0 HG22 VAL A 135 7.130 1.155 1.219 1.00 0.00 H new ATOM 0 HG23 VAL A 135 8.291 -0.124 1.646 1.00 0.00 H new ATOM 893 N LYS A 136 8.937 4.389 3.960 1.00 0.00 N ATOM 894 CA LYS A 136 9.114 5.362 5.031 1.00 0.00 C ATOM 895 C LYS A 136 8.003 5.237 6.069 1.00 0.00 C ATOM 896 O LYS A 136 8.265 5.219 7.272 1.00 0.00 O ATOM 897 CB LYS A 136 9.141 6.781 4.463 1.00 0.00 C ATOM 898 CG LYS A 136 10.417 7.541 4.787 1.00 0.00 C ATOM 899 CD LYS A 136 10.430 8.016 6.231 1.00 0.00 C ATOM 900 CE LYS A 136 11.844 8.059 6.790 1.00 0.00 C ATOM 901 NZ LYS A 136 12.372 9.449 6.856 1.00 0.00 N ATOM 0 H LYS A 136 8.564 4.778 3.094 1.00 0.00 H new ATOM 0 HA LYS A 136 10.067 5.157 5.519 1.00 0.00 H new ATOM 0 HB2 LYS A 136 9.021 6.733 3.381 1.00 0.00 H new ATOM 0 HB3 LYS A 136 8.288 7.336 4.853 1.00 0.00 H new ATOM 0 HG2 LYS A 136 11.280 6.900 4.606 1.00 0.00 H new ATOM 0 HG3 LYS A 136 10.511 8.398 4.120 1.00 0.00 H new ATOM 0 HD2 LYS A 136 9.983 9.008 6.293 1.00 0.00 H new ATOM 0 HD3 LYS A 136 9.817 7.351 6.840 1.00 0.00 H new ATOM 0 HE2 LYS A 136 11.854 7.619 7.787 1.00 0.00 H new ATOM 0 HE3 LYS A 136 12.500 7.451 6.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 13.338 9.436 7.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 12.387 9.860 5.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 11.761 10.024 7.471 1.00 0.00 H new ATOM 915 N ALA A 137 6.763 5.153 5.598 1.00 0.00 N ATOM 916 CA ALA A 137 5.618 5.030 6.492 1.00 0.00 C ATOM 917 C ALA A 137 4.301 5.149 5.730 1.00 0.00 C ATOM 918 O ALA A 137 4.260 5.678 4.619 1.00 0.00 O ATOM 919 CB ALA A 137 5.691 6.085 7.586 1.00 0.00 C ATOM 0 H ALA A 137 6.526 5.168 4.606 1.00 0.00 H new ATOM 0 HA ALA A 137 5.652 4.040 6.947 1.00 0.00 H new ATOM 0 HB1 ALA A 137 4.831 5.983 8.248 1.00 0.00 H new ATOM 0 HB2 ALA A 137 6.608 5.951 8.160 1.00 0.00 H new ATOM 0 HB3 ALA A 137 5.687 7.077 7.135 1.00 0.00 H new ATOM 925 N ILE A 138 3.228 4.655 6.339 1.00 0.00 N ATOM 926 CA ILE A 138 1.906 4.705 5.726 1.00 0.00 C ATOM 927 C ILE A 138 1.094 5.871 6.281 1.00 0.00 C ATOM 928 O ILE A 138 1.294 6.291 7.421 1.00 0.00 O ATOM 929 CB ILE A 138 1.130 3.392 5.959 1.00 0.00 C ATOM 930 CG1 ILE A 138 1.765 2.252 5.161 1.00 0.00 C ATOM 931 CG2 ILE A 138 -0.334 3.560 5.579 1.00 0.00 C ATOM 932 CD1 ILE A 138 0.963 0.968 5.199 1.00 0.00 C ATOM 0 H ILE A 138 3.249 4.214 7.259 1.00 0.00 H new ATOM 0 HA ILE A 138 2.053 4.843 4.655 1.00 0.00 H new ATOM 0 HB ILE A 138 1.180 3.144 7.019 1.00 0.00 H new ATOM 0 HG12 ILE A 138 1.883 2.567 4.124 1.00 0.00 H new ATOM 0 HG13 ILE A 138 2.764 2.059 5.551 1.00 0.00 H new ATOM 0 HG21 ILE A 138 -0.864 2.623 5.750 1.00 0.00 H new ATOM 0 HG22 ILE A 138 -0.780 4.346 6.188 1.00 0.00 H new ATOM 0 HG23 ILE A 138 -0.408 3.831 4.526 1.00 0.00 H new ATOM 0 HD11 ILE A 138 1.472 0.203 4.612 1.00 0.00 H new ATOM 0 HD12 ILE A 138 0.867 0.630 6.231 1.00 0.00 H new ATOM 0 HD13 ILE A 138 -0.028 1.146 4.781 1.00 0.00 H new ATOM 944 N LEU A 139 0.178 6.391 5.469 1.00 0.00 N ATOM 945 CA LEU A 139 -0.660 7.510 5.885 1.00 0.00 C ATOM 946 C LEU A 139 -2.136 7.125 5.867 1.00 0.00 C ATOM 947 O LEU A 139 -2.906 7.537 6.735 1.00 0.00 O ATOM 948 CB LEU A 139 -0.425 8.716 4.973 1.00 0.00 C ATOM 949 CG LEU A 139 0.768 9.593 5.353 1.00 0.00 C ATOM 950 CD1 LEU A 139 2.051 9.040 4.752 1.00 0.00 C ATOM 951 CD2 LEU A 139 0.540 11.026 4.898 1.00 0.00 C ATOM 0 H LEU A 139 -0.002 6.056 4.522 1.00 0.00 H new ATOM 0 HA LEU A 139 -0.386 7.775 6.906 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -0.283 8.359 3.953 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -1.324 9.332 4.973 1.00 0.00 H new ATOM 0 HG LEU A 139 0.868 9.587 6.438 1.00 0.00 H new ATOM 0 HD11 LEU A 139 2.889 9.678 5.033 1.00 0.00 H new ATOM 0 HD12 LEU A 139 2.222 8.030 5.125 1.00 0.00 H new ATOM 0 HD13 LEU A 139 1.963 9.015 3.666 1.00 0.00 H new ATOM 0 HD21 LEU A 139 1.399 11.637 5.176 1.00 0.00 H new ATOM 0 HD22 LEU A 139 0.414 11.048 3.816 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -0.357 11.421 5.376 1.00 0.00 H new ATOM 963 N VAL A 140 -2.525 6.335 4.872 1.00 0.00 N ATOM 964 CA VAL A 140 -3.909 5.897 4.743 1.00 0.00 C ATOM 965 C VAL A 140 -4.458 5.405 6.078 1.00 0.00 C ATOM 966 O VAL A 140 -5.638 5.591 6.379 1.00 0.00 O ATOM 967 CB VAL A 140 -4.049 4.776 3.692 1.00 0.00 C ATOM 968 CG1 VAL A 140 -5.413 4.108 3.794 1.00 0.00 C ATOM 969 CG2 VAL A 140 -3.825 5.328 2.293 1.00 0.00 C ATOM 0 H VAL A 140 -1.902 5.985 4.144 1.00 0.00 H new ATOM 0 HA VAL A 140 -4.486 6.762 4.416 1.00 0.00 H new ATOM 0 HB VAL A 140 -3.287 4.022 3.891 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -5.490 3.321 3.044 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -5.533 3.675 4.787 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -6.194 4.849 3.624 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -3.927 4.524 1.564 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -4.563 6.103 2.085 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -2.824 5.753 2.226 1.00 0.00 H new ATOM 979 N GLU A 141 -3.600 4.774 6.873 1.00 0.00 N ATOM 980 CA GLU A 141 -4.003 4.253 8.173 1.00 0.00 C ATOM 981 C GLU A 141 -4.962 3.083 8.003 1.00 0.00 C ATOM 982 O GLU A 141 -6.166 3.272 7.844 1.00 0.00 O ATOM 983 CB GLU A 141 -4.659 5.351 9.014 1.00 0.00 C ATOM 984 CG GLU A 141 -3.706 6.469 9.403 1.00 0.00 C ATOM 985 CD GLU A 141 -3.737 6.770 10.888 1.00 0.00 C ATOM 986 OE1 GLU A 141 -3.500 5.839 11.688 1.00 0.00 O ATOM 987 OE2 GLU A 141 -3.997 7.936 11.252 1.00 0.00 O ATOM 0 H GLU A 141 -2.621 4.611 6.639 1.00 0.00 H new ATOM 0 HA GLU A 141 -3.110 3.903 8.692 1.00 0.00 H new ATOM 0 HB2 GLU A 141 -5.494 5.774 8.456 1.00 0.00 H new ATOM 0 HB3 GLU A 141 -5.073 4.906 9.919 1.00 0.00 H new ATOM 0 HG2 GLU A 141 -2.692 6.195 9.113 1.00 0.00 H new ATOM 0 HG3 GLU A 141 -3.964 7.371 8.848 1.00 0.00 H new ATOM 994 N SER A 142 -4.413 1.874 8.032 1.00 0.00 N ATOM 995 CA SER A 142 -5.206 0.661 7.877 1.00 0.00 C ATOM 996 C SER A 142 -6.608 0.840 8.459 1.00 0.00 C ATOM 997 O SER A 142 -6.810 1.639 9.373 1.00 0.00 O ATOM 998 CB SER A 142 -4.501 -0.507 8.562 1.00 0.00 C ATOM 999 OG SER A 142 -5.017 -1.750 8.115 1.00 0.00 O ATOM 0 H SER A 142 -3.415 1.708 8.162 1.00 0.00 H new ATOM 0 HA SER A 142 -5.307 0.451 6.812 1.00 0.00 H new ATOM 0 HB2 SER A 142 -3.431 -0.460 8.358 1.00 0.00 H new ATOM 0 HB3 SER A 142 -4.624 -0.426 9.642 1.00 0.00 H new ATOM 0 HG SER A 142 -4.690 -2.468 8.697 1.00 0.00 H new ATOM 1005 N GLY A 143 -7.574 0.094 7.926 1.00 0.00 N ATOM 1006 CA GLY A 143 -8.937 0.197 8.411 1.00 0.00 C ATOM 1007 C GLY A 143 -9.591 1.513 8.036 1.00 0.00 C ATOM 1008 O GLY A 143 -10.683 1.827 8.507 1.00 0.00 O ATOM 0 H GLY A 143 -7.436 -0.577 7.170 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -9.526 -0.626 8.006 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -8.942 0.089 9.496 1.00 0.00 H new ATOM 1012 N GLN A 144 -8.919 2.285 7.184 1.00 0.00 N ATOM 1013 CA GLN A 144 -9.445 3.576 6.749 1.00 0.00 C ATOM 1014 C GLN A 144 -9.936 3.509 5.306 1.00 0.00 C ATOM 1015 O GLN A 144 -9.469 2.690 4.513 1.00 0.00 O ATOM 1016 CB GLN A 144 -8.376 4.662 6.882 1.00 0.00 C ATOM 1017 CG GLN A 144 -8.178 5.150 8.307 1.00 0.00 C ATOM 1018 CD GLN A 144 -8.457 6.632 8.459 1.00 0.00 C ATOM 1019 OE1 GLN A 144 -9.474 7.030 9.028 1.00 0.00 O ATOM 1020 NE2 GLN A 144 -7.553 7.460 7.949 1.00 0.00 N ATOM 0 H GLN A 144 -8.014 2.040 6.783 1.00 0.00 H new ATOM 0 HA GLN A 144 -10.289 3.826 7.391 1.00 0.00 H new ATOM 0 HB2 GLN A 144 -7.429 4.276 6.504 1.00 0.00 H new ATOM 0 HB3 GLN A 144 -8.649 5.508 6.252 1.00 0.00 H new ATOM 0 HG2 GLN A 144 -8.834 4.590 8.973 1.00 0.00 H new ATOM 0 HG3 GLN A 144 -7.154 4.943 8.619 1.00 0.00 H new ATOM 0 HE21 GLN A 144 -6.724 7.088 7.486 1.00 0.00 H new ATOM 0 HE22 GLN A 144 -7.687 8.469 8.021 1.00 0.00 H new ATOM 1029 N PRO A 145 -10.893 4.380 4.952 1.00 0.00 N ATOM 1030 CA PRO A 145 -11.462 4.433 3.605 1.00 0.00 C ATOM 1031 C PRO A 145 -10.542 5.131 2.608 1.00 0.00 C ATOM 1032 O PRO A 145 -10.478 6.360 2.561 1.00 0.00 O ATOM 1033 CB PRO A 145 -12.742 5.242 3.806 1.00 0.00 C ATOM 1034 CG PRO A 145 -12.438 6.144 4.951 1.00 0.00 C ATOM 1035 CD PRO A 145 -11.499 5.382 5.850 1.00 0.00 C ATOM 0 HA PRO A 145 -11.623 3.439 3.188 1.00 0.00 H new ATOM 0 HB2 PRO A 145 -12.997 5.809 2.911 1.00 0.00 H new ATOM 0 HB3 PRO A 145 -13.591 4.594 4.026 1.00 0.00 H new ATOM 0 HG2 PRO A 145 -11.980 7.071 4.605 1.00 0.00 H new ATOM 0 HG3 PRO A 145 -13.349 6.418 5.483 1.00 0.00 H new ATOM 0 HD2 PRO A 145 -10.745 6.036 6.288 1.00 0.00 H new ATOM 0 HD3 PRO A 145 -12.030 4.910 6.676 1.00 0.00 H new ATOM 1043 N VAL A 146 -9.835 4.338 1.810 1.00 0.00 N ATOM 1044 CA VAL A 146 -8.923 4.877 0.807 1.00 0.00 C ATOM 1045 C VAL A 146 -9.448 4.608 -0.598 1.00 0.00 C ATOM 1046 O VAL A 146 -9.927 3.513 -0.886 1.00 0.00 O ATOM 1047 CB VAL A 146 -7.515 4.266 0.940 1.00 0.00 C ATOM 1048 CG1 VAL A 146 -7.572 2.756 0.777 1.00 0.00 C ATOM 1049 CG2 VAL A 146 -6.567 4.884 -0.075 1.00 0.00 C ATOM 0 H VAL A 146 -9.876 3.319 1.838 1.00 0.00 H new ATOM 0 HA VAL A 146 -8.859 5.952 0.976 1.00 0.00 H new ATOM 0 HB VAL A 146 -7.135 4.487 1.938 1.00 0.00 H new ATOM 0 HG11 VAL A 146 -6.569 2.341 0.874 1.00 0.00 H new ATOM 0 HG12 VAL A 146 -8.216 2.331 1.547 1.00 0.00 H new ATOM 0 HG13 VAL A 146 -7.972 2.511 -0.207 1.00 0.00 H new ATOM 0 HG21 VAL A 146 -5.577 4.440 0.034 1.00 0.00 H new ATOM 0 HG22 VAL A 146 -6.940 4.697 -1.082 1.00 0.00 H new ATOM 0 HG23 VAL A 146 -6.503 5.959 0.094 1.00 0.00 H new ATOM 1059 N GLU A 147 -9.362 5.608 -1.468 1.00 0.00 N ATOM 1060 CA GLU A 147 -9.841 5.459 -2.839 1.00 0.00 C ATOM 1061 C GLU A 147 -9.699 6.764 -3.619 1.00 0.00 C ATOM 1062 O GLU A 147 -10.598 7.605 -3.607 1.00 0.00 O ATOM 1063 CB GLU A 147 -11.305 5.019 -2.836 1.00 0.00 C ATOM 1064 CG GLU A 147 -12.245 6.032 -2.204 1.00 0.00 C ATOM 1065 CD GLU A 147 -13.380 5.377 -1.440 1.00 0.00 C ATOM 1066 OE1 GLU A 147 -13.129 4.866 -0.328 1.00 0.00 O ATOM 1067 OE2 GLU A 147 -14.518 5.375 -1.953 1.00 0.00 O ATOM 0 H GLU A 147 -8.969 6.524 -1.252 1.00 0.00 H new ATOM 0 HA GLU A 147 -9.231 4.699 -3.328 1.00 0.00 H new ATOM 0 HB2 GLU A 147 -11.622 4.833 -3.862 1.00 0.00 H new ATOM 0 HB3 GLU A 147 -11.390 4.074 -2.300 1.00 0.00 H new ATOM 0 HG2 GLU A 147 -11.680 6.674 -1.528 1.00 0.00 H new ATOM 0 HG3 GLU A 147 -12.658 6.674 -2.982 1.00 0.00 H new ATOM 1074 N PHE A 148 -8.574 6.923 -4.305 1.00 0.00 N ATOM 1075 CA PHE A 148 -8.328 8.122 -5.100 1.00 0.00 C ATOM 1076 C PHE A 148 -7.922 9.303 -4.222 1.00 0.00 C ATOM 1077 O PHE A 148 -8.756 9.900 -3.542 1.00 0.00 O ATOM 1078 CB PHE A 148 -9.573 8.483 -5.905 1.00 0.00 C ATOM 1079 CG PHE A 148 -9.269 9.054 -7.261 1.00 0.00 C ATOM 1080 CD1 PHE A 148 -8.709 8.258 -8.255 1.00 0.00 C ATOM 1081 CD2 PHE A 148 -9.545 10.387 -7.545 1.00 0.00 C ATOM 1082 CE1 PHE A 148 -8.428 8.783 -9.507 1.00 0.00 C ATOM 1083 CE2 PHE A 148 -9.266 10.917 -8.796 1.00 0.00 C ATOM 1084 CZ PHE A 148 -8.708 10.113 -9.777 1.00 0.00 C ATOM 0 H PHE A 148 -7.818 6.239 -4.328 1.00 0.00 H new ATOM 0 HA PHE A 148 -7.504 7.906 -5.780 1.00 0.00 H new ATOM 0 HB2 PHE A 148 -10.189 7.592 -6.025 1.00 0.00 H new ATOM 0 HB3 PHE A 148 -10.164 9.204 -5.340 1.00 0.00 H new ATOM 0 HD1 PHE A 148 -8.491 7.220 -8.049 1.00 0.00 H new ATOM 0 HD2 PHE A 148 -9.981 11.016 -6.783 1.00 0.00 H new ATOM 0 HE1 PHE A 148 -7.992 8.156 -10.271 1.00 0.00 H new ATOM 0 HE2 PHE A 148 -9.483 11.954 -9.005 1.00 0.00 H new ATOM 0 HZ PHE A 148 -8.491 10.523 -10.752 1.00 0.00 H new ATOM 1094 N ASP A 149 -6.636 9.642 -4.252 1.00 0.00 N ATOM 1095 CA ASP A 149 -6.119 10.762 -3.471 1.00 0.00 C ATOM 1096 C ASP A 149 -5.853 10.361 -2.023 1.00 0.00 C ATOM 1097 O ASP A 149 -6.339 11.005 -1.094 1.00 0.00 O ATOM 1098 CB ASP A 149 -7.101 11.934 -3.514 1.00 0.00 C ATOM 1099 CG ASP A 149 -7.795 12.058 -4.855 1.00 0.00 C ATOM 1100 OD1 ASP A 149 -7.278 11.498 -5.845 1.00 0.00 O ATOM 1101 OD2 ASP A 149 -8.855 12.715 -4.916 1.00 0.00 O ATOM 0 H ASP A 149 -5.933 9.157 -4.809 1.00 0.00 H new ATOM 0 HA ASP A 149 -5.172 11.066 -3.916 1.00 0.00 H new ATOM 0 HB2 ASP A 149 -7.849 11.806 -2.731 1.00 0.00 H new ATOM 0 HB3 ASP A 149 -6.567 12.859 -3.297 1.00 0.00 H new ATOM 1106 N GLU A 150 -5.073 9.302 -1.836 1.00 0.00 N ATOM 1107 CA GLU A 150 -4.740 8.831 -0.495 1.00 0.00 C ATOM 1108 C GLU A 150 -3.339 8.223 -0.458 1.00 0.00 C ATOM 1109 O GLU A 150 -3.027 7.304 -1.216 1.00 0.00 O ATOM 1110 CB GLU A 150 -5.771 7.806 -0.019 1.00 0.00 C ATOM 1111 CG GLU A 150 -6.754 8.358 0.999 1.00 0.00 C ATOM 1112 CD GLU A 150 -6.437 7.916 2.415 1.00 0.00 C ATOM 1113 OE1 GLU A 150 -5.394 8.344 2.951 1.00 0.00 O ATOM 1114 OE2 GLU A 150 -7.232 7.141 2.987 1.00 0.00 O ATOM 0 H GLU A 150 -4.661 8.755 -2.592 1.00 0.00 H new ATOM 0 HA GLU A 150 -4.757 9.689 0.177 1.00 0.00 H new ATOM 0 HB2 GLU A 150 -6.325 7.433 -0.881 1.00 0.00 H new ATOM 0 HB3 GLU A 150 -5.249 6.954 0.417 1.00 0.00 H new ATOM 0 HG2 GLU A 150 -6.747 9.447 0.952 1.00 0.00 H new ATOM 0 HG3 GLU A 150 -7.762 8.034 0.738 1.00 0.00 H new ATOM 1121 N PRO A 151 -2.473 8.736 0.428 1.00 0.00 N ATOM 1122 CA PRO A 151 -1.097 8.248 0.569 1.00 0.00 C ATOM 1123 C PRO A 151 -1.040 6.831 1.133 1.00 0.00 C ATOM 1124 O PRO A 151 -0.936 6.637 2.344 1.00 0.00 O ATOM 1125 CB PRO A 151 -0.463 9.238 1.548 1.00 0.00 C ATOM 1126 CG PRO A 151 -1.608 9.802 2.316 1.00 0.00 C ATOM 1127 CD PRO A 151 -2.770 9.834 1.363 1.00 0.00 C ATOM 0 HA PRO A 151 -0.585 8.194 -0.392 1.00 0.00 H new ATOM 0 HB2 PRO A 151 0.249 8.741 2.207 1.00 0.00 H new ATOM 0 HB3 PRO A 151 0.083 10.020 1.021 1.00 0.00 H new ATOM 0 HG2 PRO A 151 -1.834 9.187 3.187 1.00 0.00 H new ATOM 0 HG3 PRO A 151 -1.377 10.802 2.683 1.00 0.00 H new ATOM 0 HD2 PRO A 151 -3.717 9.678 1.879 1.00 0.00 H new ATOM 0 HD3 PRO A 151 -2.842 10.792 0.848 1.00 0.00 H new ATOM 1135 N LEU A 152 -1.107 5.844 0.245 1.00 0.00 N ATOM 1136 CA LEU A 152 -1.064 4.443 0.650 1.00 0.00 C ATOM 1137 C LEU A 152 0.241 4.123 1.373 1.00 0.00 C ATOM 1138 O LEU A 152 0.232 3.593 2.484 1.00 0.00 O ATOM 1139 CB LEU A 152 -1.221 3.533 -0.569 1.00 0.00 C ATOM 1140 CG LEU A 152 -2.664 3.180 -0.932 1.00 0.00 C ATOM 1141 CD1 LEU A 152 -2.765 2.786 -2.396 1.00 0.00 C ATOM 1142 CD2 LEU A 152 -3.177 2.060 -0.040 1.00 0.00 C ATOM 0 H LEU A 152 -1.191 5.989 -0.761 1.00 0.00 H new ATOM 0 HA LEU A 152 -1.891 4.265 1.337 1.00 0.00 H new ATOM 0 HB2 LEU A 152 -0.755 4.017 -1.427 1.00 0.00 H new ATOM 0 HB3 LEU A 152 -0.672 2.609 -0.387 1.00 0.00 H new ATOM 0 HG LEU A 152 -3.286 4.061 -0.771 1.00 0.00 H new ATOM 0 HD11 LEU A 152 -3.799 2.538 -2.636 1.00 0.00 H new ATOM 0 HD12 LEU A 152 -2.437 3.617 -3.020 1.00 0.00 H new ATOM 0 HD13 LEU A 152 -2.131 1.919 -2.584 1.00 0.00 H new ATOM 0 HD21 LEU A 152 -4.205 1.821 -0.311 1.00 0.00 H new ATOM 0 HD22 LEU A 152 -2.552 1.176 -0.170 1.00 0.00 H new ATOM 0 HD23 LEU A 152 -3.141 2.379 1.002 1.00 0.00 H new ATOM 1154 N VAL A 153 1.360 4.447 0.734 1.00 0.00 N ATOM 1155 CA VAL A 153 2.672 4.192 1.316 1.00 0.00 C ATOM 1156 C VAL A 153 3.727 5.115 0.716 1.00 0.00 C ATOM 1157 O VAL A 153 3.847 5.227 -0.504 1.00 0.00 O ATOM 1158 CB VAL A 153 3.106 2.729 1.104 1.00 0.00 C ATOM 1159 CG1 VAL A 153 4.118 2.313 2.160 1.00 0.00 C ATOM 1160 CG2 VAL A 153 1.897 1.806 1.122 1.00 0.00 C ATOM 0 H VAL A 153 1.384 4.886 -0.186 1.00 0.00 H new ATOM 0 HA VAL A 153 2.587 4.387 2.385 1.00 0.00 H new ATOM 0 HB VAL A 153 3.582 2.649 0.127 1.00 0.00 H new ATOM 0 HG11 VAL A 153 4.412 1.277 1.994 1.00 0.00 H new ATOM 0 HG12 VAL A 153 4.997 2.955 2.095 1.00 0.00 H new ATOM 0 HG13 VAL A 153 3.671 2.409 3.150 1.00 0.00 H new ATOM 0 HG21 VAL A 153 2.223 0.777 0.971 1.00 0.00 H new ATOM 0 HG22 VAL A 153 1.390 1.889 2.084 1.00 0.00 H new ATOM 0 HG23 VAL A 153 1.210 2.090 0.325 1.00 0.00 H new ATOM 1170 N VAL A 154 4.493 5.772 1.582 1.00 0.00 N ATOM 1171 CA VAL A 154 5.539 6.684 1.135 1.00 0.00 C ATOM 1172 C VAL A 154 6.910 6.018 1.193 1.00 0.00 C ATOM 1173 O VAL A 154 7.351 5.571 2.252 1.00 0.00 O ATOM 1174 CB VAL A 154 5.563 7.971 1.981 1.00 0.00 C ATOM 1175 CG1 VAL A 154 4.155 8.514 2.166 1.00 0.00 C ATOM 1176 CG2 VAL A 154 6.224 7.716 3.326 1.00 0.00 C ATOM 0 H VAL A 154 4.409 5.690 2.595 1.00 0.00 H new ATOM 0 HA VAL A 154 5.311 6.946 0.102 1.00 0.00 H new ATOM 0 HB VAL A 154 6.151 8.720 1.451 1.00 0.00 H new ATOM 0 HG11 VAL A 154 4.192 9.423 2.766 1.00 0.00 H new ATOM 0 HG12 VAL A 154 3.721 8.739 1.192 1.00 0.00 H new ATOM 0 HG13 VAL A 154 3.541 7.769 2.673 1.00 0.00 H new ATOM 0 HG21 VAL A 154 6.231 8.637 3.908 1.00 0.00 H new ATOM 0 HG22 VAL A 154 5.667 6.950 3.866 1.00 0.00 H new ATOM 0 HG23 VAL A 154 7.248 7.378 3.170 1.00 0.00 H new ATOM 1186 N ILE A 155 7.577 5.956 0.045 1.00 0.00 N ATOM 1187 CA ILE A 155 8.898 5.344 -0.042 1.00 0.00 C ATOM 1188 C ILE A 155 9.996 6.348 0.295 1.00 0.00 C ATOM 1189 O ILE A 155 9.839 7.550 0.079 1.00 0.00 O ATOM 1190 CB ILE A 155 9.158 4.772 -1.450 1.00 0.00 C ATOM 1191 CG1 ILE A 155 7.941 3.979 -1.932 1.00 0.00 C ATOM 1192 CG2 ILE A 155 10.401 3.895 -1.447 1.00 0.00 C ATOM 1193 CD1 ILE A 155 7.479 2.926 -0.947 1.00 0.00 C ATOM 0 H ILE A 155 7.224 6.323 -0.839 1.00 0.00 H new ATOM 0 HA ILE A 155 8.918 4.532 0.685 1.00 0.00 H new ATOM 0 HB ILE A 155 9.326 5.601 -2.138 1.00 0.00 H new ATOM 0 HG12 ILE A 155 7.120 4.670 -2.125 1.00 0.00 H new ATOM 0 HG13 ILE A 155 8.183 3.498 -2.880 1.00 0.00 H new ATOM 0 HG21 ILE A 155 10.570 3.500 -2.449 1.00 0.00 H new ATOM 0 HG22 ILE A 155 11.263 4.487 -1.141 1.00 0.00 H new ATOM 0 HG23 ILE A 155 10.262 3.069 -0.750 1.00 0.00 H new ATOM 0 HD11 ILE A 155 6.613 2.403 -1.353 1.00 0.00 H new ATOM 0 HD12 ILE A 155 8.285 2.213 -0.772 1.00 0.00 H new ATOM 0 HD13 ILE A 155 7.206 3.403 -0.006 1.00 0.00 H new ATOM 1205 N GLU A 156 11.107 5.845 0.825 1.00 0.00 N ATOM 1206 CA GLU A 156 12.232 6.697 1.193 1.00 0.00 C ATOM 1207 C GLU A 156 13.243 6.784 0.055 1.00 0.00 C ATOM 1208 O GLU A 156 13.084 6.038 -0.935 1.00 0.00 O ATOM 1209 CB GLU A 156 12.911 6.165 2.455 1.00 0.00 C ATOM 1210 CG GLU A 156 13.655 7.231 3.242 1.00 0.00 C ATOM 1211 CD GLU A 156 14.779 6.657 4.083 1.00 0.00 C ATOM 1212 OE1 GLU A 156 14.544 5.647 4.779 1.00 0.00 O ATOM 1213 OE2 GLU A 156 15.894 7.219 4.046 1.00 0.00 O ATOM 1214 OXT GLU A 156 14.187 7.596 0.161 1.00 0.00 O ATOM 0 H GLU A 156 11.252 4.852 1.009 1.00 0.00 H new ATOM 0 HA GLU A 156 11.848 7.698 1.391 1.00 0.00 H new ATOM 0 HB2 GLU A 156 12.158 5.710 3.098 1.00 0.00 H new ATOM 0 HB3 GLU A 156 13.610 5.377 2.176 1.00 0.00 H new ATOM 0 HG2 GLU A 156 14.063 7.969 2.551 1.00 0.00 H new ATOM 0 HG3 GLU A 156 12.953 7.755 3.890 1.00 0.00 H new TER 1221 GLU A 156 HETATM 1222 C11 BTN A 222 -14.810 -9.253 2.925 1.00 0.00 C HETATM 1223 O11 BTN A 222 -15.743 -10.037 3.101 1.00 0.00 O HETATM 1224 C10 BTN A 222 -13.515 -9.486 3.676 1.00 0.00 C HETATM 1225 C9 BTN A 222 -13.271 -8.445 4.757 1.00 0.00 C HETATM 1226 C8 BTN A 222 -12.632 -7.189 4.187 1.00 0.00 C HETATM 1227 C7 BTN A 222 -11.251 -6.950 4.775 1.00 0.00 C HETATM 1228 C2 BTN A 222 -10.145 -7.754 4.086 1.00 0.00 C HETATM 1229 S1 BTN A 222 -10.256 -9.582 4.277 1.00 0.00 S HETATM 1230 C6 BTN A 222 -8.452 -9.767 3.972 1.00 0.00 C HETATM 1231 C5 BTN A 222 -7.802 -8.567 4.650 1.00 0.00 C HETATM 1232 N1 BTN A 222 -7.598 -8.782 6.078 1.00 0.00 N HETATM 1233 C3 BTN A 222 -8.267 -7.937 6.866 1.00 0.00 C HETATM 1234 O3 BTN A 222 -8.255 -7.921 8.096 1.00 0.00 O HETATM 1235 N2 BTN A 222 -8.947 -7.117 6.070 1.00 0.00 N HETATM 1236 C4 BTN A 222 -8.764 -7.378 4.648 1.00 0.00 C HETATM 0 H102 BTN A 222 -13.535 -10.477 4.129 1.00 0.00 H new HETATM 0 H101 BTN A 222 -12.683 -9.475 2.971 1.00 0.00 H new HETATM 0 HN2 BTN A 222 -9.545 -6.370 6.424 1.00 0.00 H new HETATM 0 HN1 BTN A 222 -6.994 -9.518 6.445 1.00 0.00 H new HETATM 0 H92 BTN A 222 -14.216 -8.188 5.236 1.00 0.00 H new HETATM 0 H91 BTN A 222 -12.626 -8.865 5.529 1.00 0.00 H new HETATM 0 H82 BTN A 222 -12.557 -7.278 3.103 1.00 0.00 H new HETATM 0 H81 BTN A 222 -13.270 -6.329 4.393 1.00 0.00 H new HETATM 0 H72 BTN A 222 -11.014 -5.888 4.705 1.00 0.00 H new HETATM 0 H71 BTN A 222 -11.267 -7.204 5.835 1.00 0.00 H new HETATM 0 H62 BTN A 222 -8.077 -10.703 4.386 1.00 0.00 H new HETATM 0 H61 BTN A 222 -8.233 -9.781 2.904 1.00 0.00 H new HETATM 0 H5 BTN A 222 -6.870 -8.407 4.108 1.00 0.00 H new HETATM 0 H4 BTN A 222 -8.378 -6.553 4.049 1.00 0.00 H new HETATM 0 H2 BTN A 222 -10.277 -7.499 3.035 1.00 0.00 H new