USER MOD reduce.3.24.130724 H: found=0, std=0, add=467, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 468 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 97 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= -5.09! C(o=-5.1!,f=-6.4!) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.257 K(o=-0.26,f=-5.6!) USER MOD Single : A 69 GLN : amide:sc=-0.00154 K(o=-0.0015,f=-1.3) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=-0.0099) USER MOD Single : A 89 THR OG1 : rot -84:sc=0.000534 USER MOD Single : A 90 CYS SG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 HIS : no HD1:sc= -0.019 X(o=-0.019,f=-0.38) USER MOD Single : A 103 MET CE :methyl 165:sc= -0.236 (180deg=-0.826) USER MOD Single : A 105 GLN : amide:sc= 0.0755 K(o=0.076,f=-1.2) USER MOD Single : A 110 LYS NZ :NH3+ -140:sc= 0.0648 (180deg=0) USER MOD Single : A 111 SER OG : rot 180:sc= -0.158 USER MOD Single : A 114 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 116 LYS NZ :NH3+ -148:sc= -1.23 (180deg=-2.62!) USER MOD ----------------------------------------------------------------- ATOM 781 N ARG A 60 2.226 -9.821 -11.583 1.00 0.00 N ATOM 782 CA ARG A 60 3.277 -8.847 -11.318 1.00 0.00 C ATOM 783 C ARG A 60 3.747 -8.936 -9.868 1.00 0.00 C ATOM 784 O ARG A 60 3.000 -9.364 -8.988 1.00 0.00 O ATOM 785 CB ARG A 60 2.779 -7.432 -11.618 1.00 0.00 C ATOM 786 CG ARG A 60 3.876 -6.484 -12.073 1.00 0.00 C ATOM 787 CD ARG A 60 3.325 -5.377 -12.957 1.00 0.00 C ATOM 788 NE ARG A 60 3.291 -5.766 -14.364 1.00 0.00 N ATOM 789 CZ ARG A 60 4.367 -5.804 -15.142 1.00 0.00 C ATOM 790 NH1 ARG A 60 5.555 -5.479 -14.652 1.00 0.00 N ATOM 791 NH2 ARG A 60 4.256 -6.168 -16.413 1.00 0.00 N ATOM 0 HA ARG A 60 4.120 -9.073 -11.970 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.011 -7.482 -12.390 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.307 -7.025 -10.724 1.00 0.00 H new ATOM 0 HG2 ARG A 60 4.364 -6.046 -11.202 1.00 0.00 H new ATOM 0 HG3 ARG A 60 4.637 -7.042 -12.619 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.319 -5.118 -12.628 1.00 0.00 H new ATOM 0 HD3 ARG A 60 3.938 -4.483 -12.843 1.00 0.00 H new ATOM 0 HE ARG A 60 2.392 -6.023 -14.772 1.00 0.00 H new ATOM 0 HH11 ARG A 60 5.645 -5.199 -13.675 1.00 0.00 H new ATOM 0 HH12 ARG A 60 6.380 -5.509 -15.252 1.00 0.00 H new ATOM 0 HH21 ARG A 60 3.344 -6.419 -16.794 1.00 0.00 H new ATOM 0 HH22 ARG A 60 5.083 -6.197 -17.009 1.00 0.00 H new ATOM 805 N HIS A 61 4.989 -8.528 -9.628 1.00 0.00 N ATOM 806 CA HIS A 61 5.558 -8.562 -8.286 1.00 0.00 C ATOM 807 C HIS A 61 5.600 -7.163 -7.679 1.00 0.00 C ATOM 808 O HIS A 61 6.210 -6.251 -8.236 1.00 0.00 O ATOM 809 CB HIS A 61 6.966 -9.157 -8.321 1.00 0.00 C ATOM 810 CG HIS A 61 7.343 -9.878 -7.063 1.00 0.00 C ATOM 811 ND1 HIS A 61 8.394 -9.490 -6.259 1.00 0.00 N ATOM 812 CD2 HIS A 61 6.801 -10.968 -6.470 1.00 0.00 C ATOM 813 CE1 HIS A 61 8.483 -10.311 -5.228 1.00 0.00 C ATOM 814 NE2 HIS A 61 7.527 -11.216 -5.332 1.00 0.00 N ATOM 0 H HIS A 61 5.620 -8.170 -10.345 1.00 0.00 H new ATOM 0 HA HIS A 61 4.921 -9.191 -7.664 1.00 0.00 H new ATOM 0 HB2 HIS A 61 7.039 -9.847 -9.161 1.00 0.00 H new ATOM 0 HB3 HIS A 61 7.685 -8.358 -8.501 1.00 0.00 H new ATOM 0 HD2 HIS A 61 5.955 -11.537 -6.826 1.00 0.00 H new ATOM 0 HE1 HIS A 61 9.214 -10.252 -4.435 1.00 0.00 H new ATOM 0 HE2 HIS A 61 7.356 -11.976 -4.674 1.00 0.00 H new ATOM 823 N GLY A 62 4.946 -7.000 -6.532 1.00 0.00 N ATOM 824 CA GLY A 62 4.920 -5.709 -5.870 1.00 0.00 C ATOM 825 C GLY A 62 5.356 -5.793 -4.420 1.00 0.00 C ATOM 826 O GLY A 62 5.431 -6.881 -3.849 1.00 0.00 O ATOM 0 H GLY A 62 4.434 -7.739 -6.050 1.00 0.00 H new ATOM 0 HA2 GLY A 62 5.572 -5.017 -6.403 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.911 -5.299 -5.920 1.00 0.00 H new ATOM 830 N VAL A 63 5.647 -4.641 -3.824 1.00 0.00 N ATOM 831 CA VAL A 63 6.079 -4.589 -2.432 1.00 0.00 C ATOM 832 C VAL A 63 5.477 -3.385 -1.715 1.00 0.00 C ATOM 833 O VAL A 63 5.594 -2.251 -2.179 1.00 0.00 O ATOM 834 CB VAL A 63 7.614 -4.523 -2.323 1.00 0.00 C ATOM 835 CG1 VAL A 63 8.031 -4.025 -0.947 1.00 0.00 C ATOM 836 CG2 VAL A 63 8.227 -5.885 -2.614 1.00 0.00 C ATOM 0 H VAL A 63 5.592 -3.732 -4.283 1.00 0.00 H new ATOM 0 HA VAL A 63 5.728 -5.505 -1.957 1.00 0.00 H new ATOM 0 HB VAL A 63 7.984 -3.817 -3.066 1.00 0.00 H new ATOM 0 HG11 VAL A 63 9.119 -3.985 -0.889 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.622 -3.028 -0.781 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.652 -4.704 -0.184 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.312 -5.821 -2.533 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.852 -6.614 -1.896 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.957 -6.198 -3.623 1.00 0.00 H new ATOM 846 N ALA A 64 4.834 -3.640 -0.580 1.00 0.00 N ATOM 847 CA ALA A 64 4.216 -2.577 0.203 1.00 0.00 C ATOM 848 C ALA A 64 5.271 -1.653 0.803 1.00 0.00 C ATOM 849 O ALA A 64 6.210 -2.110 1.456 1.00 0.00 O ATOM 850 CB ALA A 64 3.344 -3.168 1.300 1.00 0.00 C ATOM 0 H ALA A 64 4.728 -4.573 -0.182 1.00 0.00 H new ATOM 0 HA ALA A 64 3.589 -1.985 -0.464 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.889 -2.363 1.877 1.00 0.00 H new ATOM 0 HB2 ALA A 64 2.562 -3.781 0.852 1.00 0.00 H new ATOM 0 HB3 ALA A 64 3.956 -3.785 1.958 1.00 0.00 H new ATOM 856 N ILE A 65 5.111 -0.354 0.577 1.00 0.00 N ATOM 857 CA ILE A 65 6.049 0.633 1.097 1.00 0.00 C ATOM 858 C ILE A 65 5.406 1.482 2.188 1.00 0.00 C ATOM 859 O ILE A 65 6.096 2.168 2.942 1.00 0.00 O ATOM 860 CB ILE A 65 6.569 1.558 -0.019 1.00 0.00 C ATOM 861 CG1 ILE A 65 5.413 2.014 -0.913 1.00 0.00 C ATOM 862 CG2 ILE A 65 7.633 0.849 -0.843 1.00 0.00 C ATOM 863 CD1 ILE A 65 5.748 3.217 -1.766 1.00 0.00 C ATOM 0 H ILE A 65 4.340 0.040 0.037 1.00 0.00 H new ATOM 0 HA ILE A 65 6.888 0.079 1.519 1.00 0.00 H new ATOM 0 HB ILE A 65 7.019 2.438 0.440 1.00 0.00 H new ATOM 0 HG12 ILE A 65 5.119 1.189 -1.562 1.00 0.00 H new ATOM 0 HG13 ILE A 65 4.552 2.250 -0.288 1.00 0.00 H new ATOM 0 HG21 ILE A 65 7.990 1.516 -1.627 1.00 0.00 H new ATOM 0 HG22 ILE A 65 8.466 0.569 -0.198 1.00 0.00 H new ATOM 0 HG23 ILE A 65 7.206 -0.047 -1.295 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.883 3.484 -2.373 1.00 0.00 H new ATOM 0 HD12 ILE A 65 6.013 4.056 -1.123 1.00 0.00 H new ATOM 0 HD13 ILE A 65 6.589 2.979 -2.417 1.00 0.00 H new ATOM 875 N TYR A 66 4.081 1.430 2.266 1.00 0.00 N ATOM 876 CA TYR A 66 3.344 2.195 3.265 1.00 0.00 C ATOM 877 C TYR A 66 2.376 1.300 4.031 1.00 0.00 C ATOM 878 O TYR A 66 1.668 0.484 3.442 1.00 0.00 O ATOM 879 CB TYR A 66 2.579 3.340 2.598 1.00 0.00 C ATOM 880 CG TYR A 66 3.474 4.422 2.039 1.00 0.00 C ATOM 881 CD1 TYR A 66 4.452 5.018 2.825 1.00 0.00 C ATOM 882 CD2 TYR A 66 3.343 4.848 0.722 1.00 0.00 C ATOM 883 CE1 TYR A 66 5.272 6.007 2.318 1.00 0.00 C ATOM 884 CE2 TYR A 66 4.159 5.836 0.207 1.00 0.00 C ATOM 885 CZ TYR A 66 5.122 6.413 1.008 1.00 0.00 C ATOM 886 OH TYR A 66 5.937 7.397 0.499 1.00 0.00 O ATOM 0 H TYR A 66 3.495 0.866 1.650 1.00 0.00 H new ATOM 0 HA TYR A 66 4.063 2.610 3.972 1.00 0.00 H new ATOM 0 HB2 TYR A 66 1.966 2.935 1.793 1.00 0.00 H new ATOM 0 HB3 TYR A 66 1.898 3.783 3.325 1.00 0.00 H new ATOM 0 HD1 TYR A 66 4.573 4.702 3.851 1.00 0.00 H new ATOM 0 HD2 TYR A 66 2.590 4.399 0.091 1.00 0.00 H new ATOM 0 HE1 TYR A 66 6.027 6.460 2.944 1.00 0.00 H new ATOM 0 HE2 TYR A 66 4.044 6.155 -0.818 1.00 0.00 H new ATOM 0 HH TYR A 66 5.702 7.565 -0.438 1.00 0.00 H new ATOM 896 N ASN A 67 2.350 1.460 5.351 1.00 0.00 N ATOM 897 CA ASN A 67 1.469 0.667 6.200 1.00 0.00 C ATOM 898 C ASN A 67 0.007 1.018 5.945 1.00 0.00 C ATOM 899 O ASN A 67 -0.500 2.019 6.450 1.00 0.00 O ATOM 900 CB ASN A 67 1.809 0.892 7.675 1.00 0.00 C ATOM 901 CG ASN A 67 2.937 -0.003 8.151 1.00 0.00 C ATOM 902 OD1 ASN A 67 3.102 -1.123 7.667 1.00 0.00 O ATOM 903 ND2 ASN A 67 3.719 0.488 9.105 1.00 0.00 N ATOM 0 H ASN A 67 2.929 2.132 5.855 1.00 0.00 H new ATOM 0 HA ASN A 67 1.620 -0.384 5.955 1.00 0.00 H new ATOM 0 HB2 ASN A 67 2.088 1.935 7.826 1.00 0.00 H new ATOM 0 HB3 ASN A 67 0.922 0.708 8.282 1.00 0.00 H new ATOM 0 HD21 ASN A 67 4.494 -0.069 9.466 1.00 0.00 H new ATOM 0 HD22 ASN A 67 3.545 1.422 9.477 1.00 0.00 H new ATOM 910 N PHE A 68 -0.667 0.186 5.157 1.00 0.00 N ATOM 911 CA PHE A 68 -2.071 0.408 4.834 1.00 0.00 C ATOM 912 C PHE A 68 -2.979 -0.306 5.831 1.00 0.00 C ATOM 913 O PHE A 68 -2.658 -1.394 6.308 1.00 0.00 O ATOM 914 CB PHE A 68 -2.373 -0.078 3.414 1.00 0.00 C ATOM 915 CG PHE A 68 -3.808 0.104 3.011 1.00 0.00 C ATOM 916 CD1 PHE A 68 -4.750 -0.873 3.294 1.00 0.00 C ATOM 917 CD2 PHE A 68 -4.216 1.250 2.348 1.00 0.00 C ATOM 918 CE1 PHE A 68 -6.072 -0.709 2.925 1.00 0.00 C ATOM 919 CE2 PHE A 68 -5.536 1.420 1.977 1.00 0.00 C ATOM 920 CZ PHE A 68 -6.465 0.439 2.264 1.00 0.00 C ATOM 0 H PHE A 68 -0.263 -0.648 4.731 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.266 1.479 4.894 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.736 0.459 2.711 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -2.113 -1.134 3.337 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -4.447 -1.773 3.809 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -3.494 2.019 2.118 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -6.796 -1.477 3.153 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.841 2.319 1.463 1.00 0.00 H new ATOM 0 HZ PHE A 68 -7.497 0.569 1.972 1.00 0.00 H new ATOM 930 N GLN A 69 -4.112 0.315 6.141 1.00 0.00 N ATOM 931 CA GLN A 69 -5.065 -0.261 7.083 1.00 0.00 C ATOM 932 C GLN A 69 -6.491 -0.144 6.554 1.00 0.00 C ATOM 933 O GLN A 69 -7.006 0.957 6.367 1.00 0.00 O ATOM 934 CB GLN A 69 -4.954 0.433 8.442 1.00 0.00 C ATOM 935 CG GLN A 69 -5.160 1.938 8.375 1.00 0.00 C ATOM 936 CD GLN A 69 -4.654 2.651 9.613 1.00 0.00 C ATOM 937 OE1 GLN A 69 -4.186 2.019 10.561 1.00 0.00 O ATOM 938 NE2 GLN A 69 -4.745 3.976 9.612 1.00 0.00 N ATOM 0 H GLN A 69 -4.393 1.216 5.754 1.00 0.00 H new ATOM 0 HA GLN A 69 -4.826 -1.318 7.202 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -5.691 0.004 9.121 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.971 0.228 8.866 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -4.647 2.333 7.498 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -6.221 2.150 8.246 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -5.140 4.459 8.805 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -4.420 4.510 10.418 1.00 0.00 H new ATOM 947 N GLY A 70 -7.124 -1.289 6.315 1.00 0.00 N ATOM 948 CA GLY A 70 -8.484 -1.292 5.809 1.00 0.00 C ATOM 949 C GLY A 70 -9.491 -1.722 6.858 1.00 0.00 C ATOM 950 O GLY A 70 -9.177 -1.772 8.047 1.00 0.00 O ATOM 0 H GLY A 70 -6.719 -2.214 6.463 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -8.738 -0.294 5.453 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -8.548 -1.962 4.952 1.00 0.00 H new ATOM 954 N SER A 71 -10.706 -2.033 6.417 1.00 0.00 N ATOM 955 CA SER A 71 -11.764 -2.455 7.327 1.00 0.00 C ATOM 956 C SER A 71 -12.246 -3.862 6.984 1.00 0.00 C ATOM 957 O SER A 71 -12.497 -4.677 7.870 1.00 0.00 O ATOM 958 CB SER A 71 -12.937 -1.474 7.269 1.00 0.00 C ATOM 959 OG SER A 71 -12.749 -0.400 8.173 1.00 0.00 O ATOM 0 H SER A 71 -10.982 -2.001 5.436 1.00 0.00 H new ATOM 0 HA SER A 71 -11.357 -2.465 8.338 1.00 0.00 H new ATOM 0 HB2 SER A 71 -13.041 -1.086 6.256 1.00 0.00 H new ATOM 0 HB3 SER A 71 -13.864 -1.996 7.507 1.00 0.00 H new ATOM 0 HG SER A 71 -13.511 0.213 8.115 1.00 0.00 H new ATOM 965 N GLY A 72 -12.372 -4.139 5.690 1.00 0.00 N ATOM 966 CA GLY A 72 -12.822 -5.447 5.251 1.00 0.00 C ATOM 967 C GLY A 72 -13.011 -5.522 3.749 1.00 0.00 C ATOM 968 O GLY A 72 -13.259 -4.509 3.097 1.00 0.00 O ATOM 0 H GLY A 72 -12.170 -3.481 4.937 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -12.097 -6.200 5.561 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -13.763 -5.688 5.745 1.00 0.00 H new ATOM 972 N ALA A 73 -12.891 -6.726 3.199 1.00 0.00 N ATOM 973 CA ALA A 73 -13.050 -6.929 1.764 1.00 0.00 C ATOM 974 C ALA A 73 -14.125 -6.009 1.195 1.00 0.00 C ATOM 975 O ALA A 73 -15.071 -5.622 1.881 1.00 0.00 O ATOM 976 CB ALA A 73 -13.389 -8.383 1.471 1.00 0.00 C ATOM 0 H ALA A 73 -12.684 -7.575 3.725 1.00 0.00 H new ATOM 0 HA ALA A 73 -12.105 -6.683 1.281 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -13.505 -8.520 0.396 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.586 -9.024 1.834 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -14.320 -8.648 1.973 1.00 0.00 H new ATOM 982 N PRO A 74 -13.976 -5.647 -0.088 1.00 0.00 N ATOM 983 CA PRO A 74 -12.853 -6.100 -0.913 1.00 0.00 C ATOM 984 C PRO A 74 -11.529 -5.478 -0.483 1.00 0.00 C ATOM 985 O PRO A 74 -10.473 -5.813 -1.019 1.00 0.00 O ATOM 986 CB PRO A 74 -13.234 -5.630 -2.320 1.00 0.00 C ATOM 987 CG PRO A 74 -14.140 -4.469 -2.098 1.00 0.00 C ATOM 988 CD PRO A 74 -14.894 -4.768 -0.832 1.00 0.00 C ATOM 0 HA PRO A 74 -12.699 -7.176 -0.836 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -12.353 -5.341 -2.893 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -13.733 -6.421 -2.880 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -13.572 -3.543 -2.005 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -14.823 -4.341 -2.938 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -15.120 -3.859 -0.275 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -15.844 -5.261 -1.037 1.00 0.00 H new ATOM 996 N GLN A 75 -11.595 -4.571 0.486 1.00 0.00 N ATOM 997 CA GLN A 75 -10.400 -3.901 0.987 1.00 0.00 C ATOM 998 C GLN A 75 -9.510 -4.876 1.751 1.00 0.00 C ATOM 999 O GLN A 75 -9.998 -5.712 2.513 1.00 0.00 O ATOM 1000 CB GLN A 75 -10.787 -2.730 1.891 1.00 0.00 C ATOM 1001 CG GLN A 75 -11.175 -1.474 1.127 1.00 0.00 C ATOM 1002 CD GLN A 75 -12.156 -0.606 1.890 1.00 0.00 C ATOM 1003 OE1 GLN A 75 -11.810 -0.003 2.906 1.00 0.00 O ATOM 1004 NE2 GLN A 75 -13.389 -0.538 1.402 1.00 0.00 N ATOM 0 H GLN A 75 -12.462 -4.283 0.940 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.842 -3.521 0.132 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.621 -3.032 2.525 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -9.951 -2.500 2.551 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -10.278 -0.895 0.908 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -11.614 -1.757 0.170 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -13.632 -1.055 0.557 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -14.093 0.031 1.872 1.00 0.00 H new ATOM 1013 N LEU A 76 -8.203 -4.763 1.543 1.00 0.00 N ATOM 1014 CA LEU A 76 -7.244 -5.635 2.213 1.00 0.00 C ATOM 1015 C LEU A 76 -6.140 -4.820 2.879 1.00 0.00 C ATOM 1016 O LEU A 76 -5.753 -3.761 2.386 1.00 0.00 O ATOM 1017 CB LEU A 76 -6.634 -6.619 1.212 1.00 0.00 C ATOM 1018 CG LEU A 76 -5.446 -7.439 1.716 1.00 0.00 C ATOM 1019 CD1 LEU A 76 -5.925 -8.731 2.361 1.00 0.00 C ATOM 1020 CD2 LEU A 76 -4.481 -7.735 0.578 1.00 0.00 C ATOM 0 H LEU A 76 -7.783 -4.077 0.916 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.774 -6.193 2.985 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.414 -7.308 0.889 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.317 -6.061 0.331 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.919 -6.854 2.470 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.066 -9.302 2.714 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.576 -8.498 3.203 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -6.476 -9.321 1.629 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.642 -8.319 0.955 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.997 -8.300 -0.199 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.112 -6.798 0.161 1.00 0.00 H new ATOM 1032 N SER A 77 -5.636 -5.323 4.001 1.00 0.00 N ATOM 1033 CA SER A 77 -4.577 -4.641 4.736 1.00 0.00 C ATOM 1034 C SER A 77 -3.205 -5.011 4.181 1.00 0.00 C ATOM 1035 O SER A 77 -3.041 -6.049 3.539 1.00 0.00 O ATOM 1036 CB SER A 77 -4.650 -4.994 6.223 1.00 0.00 C ATOM 1037 OG SER A 77 -4.403 -6.374 6.432 1.00 0.00 O ATOM 0 H SER A 77 -5.944 -6.200 4.421 1.00 0.00 H new ATOM 0 HA SER A 77 -4.720 -3.567 4.617 1.00 0.00 H new ATOM 0 HB2 SER A 77 -3.921 -4.403 6.777 1.00 0.00 H new ATOM 0 HB3 SER A 77 -5.634 -4.734 6.614 1.00 0.00 H new ATOM 0 HG SER A 77 -4.454 -6.574 7.390 1.00 0.00 H new ATOM 1043 N LEU A 78 -2.221 -4.154 4.433 1.00 0.00 N ATOM 1044 CA LEU A 78 -0.862 -4.389 3.959 1.00 0.00 C ATOM 1045 C LEU A 78 0.162 -3.820 4.937 1.00 0.00 C ATOM 1046 O LEU A 78 -0.117 -2.858 5.651 1.00 0.00 O ATOM 1047 CB LEU A 78 -0.667 -3.763 2.577 1.00 0.00 C ATOM 1048 CG LEU A 78 -1.155 -4.592 1.389 1.00 0.00 C ATOM 1049 CD1 LEU A 78 -1.006 -3.810 0.094 1.00 0.00 C ATOM 1050 CD2 LEU A 78 -0.395 -5.908 1.310 1.00 0.00 C ATOM 0 H LEU A 78 -2.339 -3.290 4.963 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.710 -5.466 3.888 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.182 -2.802 2.560 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.395 -3.558 2.440 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.212 -4.813 1.535 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.359 -4.417 -0.740 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.595 -2.895 0.152 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.043 -3.557 -0.060 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.755 -6.486 0.459 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.669 -5.707 1.188 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.554 -6.476 2.227 1.00 0.00 H new ATOM 1062 N GLN A 79 1.347 -4.421 4.961 1.00 0.00 N ATOM 1063 CA GLN A 79 2.412 -3.972 5.849 1.00 0.00 C ATOM 1064 C GLN A 79 3.708 -3.750 5.077 1.00 0.00 C ATOM 1065 O GLN A 79 4.095 -4.571 4.245 1.00 0.00 O ATOM 1066 CB GLN A 79 2.639 -4.994 6.965 1.00 0.00 C ATOM 1067 CG GLN A 79 1.731 -4.793 8.168 1.00 0.00 C ATOM 1068 CD GLN A 79 1.817 -5.935 9.161 1.00 0.00 C ATOM 1069 OE1 GLN A 79 0.852 -6.675 9.358 1.00 0.00 O ATOM 1070 NE2 GLN A 79 2.975 -6.085 9.793 1.00 0.00 N ATOM 0 H GLN A 79 1.593 -5.219 4.376 1.00 0.00 H new ATOM 0 HA GLN A 79 2.106 -3.023 6.290 1.00 0.00 H new ATOM 0 HB2 GLN A 79 2.483 -5.996 6.566 1.00 0.00 H new ATOM 0 HB3 GLN A 79 3.678 -4.939 7.291 1.00 0.00 H new ATOM 0 HG2 GLN A 79 1.997 -3.861 8.668 1.00 0.00 H new ATOM 0 HG3 GLN A 79 0.701 -4.689 7.828 1.00 0.00 H new ATOM 0 HE21 GLN A 79 3.748 -5.449 9.599 1.00 0.00 H new ATOM 0 HE22 GLN A 79 3.091 -6.837 10.473 1.00 0.00 H new ATOM 1079 N ILE A 80 4.374 -2.634 5.357 1.00 0.00 N ATOM 1080 CA ILE A 80 5.627 -2.305 4.689 1.00 0.00 C ATOM 1081 C ILE A 80 6.575 -3.499 4.679 1.00 0.00 C ATOM 1082 O ILE A 80 6.842 -4.103 5.717 1.00 0.00 O ATOM 1083 CB ILE A 80 6.329 -1.112 5.365 1.00 0.00 C ATOM 1084 CG1 ILE A 80 5.389 0.093 5.425 1.00 0.00 C ATOM 1085 CG2 ILE A 80 7.607 -0.758 4.619 1.00 0.00 C ATOM 1086 CD1 ILE A 80 5.994 1.298 6.110 1.00 0.00 C ATOM 0 H ILE A 80 4.067 -1.943 6.042 1.00 0.00 H new ATOM 0 HA ILE A 80 5.376 -2.035 3.663 1.00 0.00 H new ATOM 0 HB ILE A 80 6.593 -1.394 6.384 1.00 0.00 H new ATOM 0 HG12 ILE A 80 5.100 0.369 4.411 1.00 0.00 H new ATOM 0 HG13 ILE A 80 4.477 -0.193 5.950 1.00 0.00 H new ATOM 0 HG21 ILE A 80 8.092 0.087 5.108 1.00 0.00 H new ATOM 0 HG22 ILE A 80 8.280 -1.615 4.623 1.00 0.00 H new ATOM 0 HG23 ILE A 80 7.366 -0.491 3.590 1.00 0.00 H new ATOM 0 HD11 ILE A 80 5.271 2.114 6.116 1.00 0.00 H new ATOM 0 HD12 ILE A 80 6.258 1.039 7.136 1.00 0.00 H new ATOM 0 HD13 ILE A 80 6.890 1.610 5.573 1.00 0.00 H new ATOM 1098 N GLY A 81 7.084 -3.834 3.497 1.00 0.00 N ATOM 1099 CA GLY A 81 7.999 -4.954 3.373 1.00 0.00 C ATOM 1100 C GLY A 81 7.288 -6.248 3.032 1.00 0.00 C ATOM 1101 O GLY A 81 7.839 -7.334 3.216 1.00 0.00 O ATOM 0 H GLY A 81 6.879 -3.350 2.623 1.00 0.00 H new ATOM 0 HA2 GLY A 81 8.736 -4.733 2.601 1.00 0.00 H new ATOM 0 HA3 GLY A 81 8.545 -5.078 4.308 1.00 0.00 H new ATOM 1105 N ASP A 82 6.061 -6.135 2.537 1.00 0.00 N ATOM 1106 CA ASP A 82 5.273 -7.306 2.170 1.00 0.00 C ATOM 1107 C ASP A 82 5.076 -7.377 0.659 1.00 0.00 C ATOM 1108 O ASP A 82 4.929 -6.353 -0.008 1.00 0.00 O ATOM 1109 CB ASP A 82 3.915 -7.273 2.873 1.00 0.00 C ATOM 1110 CG ASP A 82 4.018 -7.605 4.348 1.00 0.00 C ATOM 1111 OD1 ASP A 82 5.130 -7.948 4.803 1.00 0.00 O ATOM 1112 OD2 ASP A 82 2.988 -7.522 5.048 1.00 0.00 O ATOM 0 H ASP A 82 5.590 -5.244 2.380 1.00 0.00 H new ATOM 0 HA ASP A 82 5.818 -8.195 2.489 1.00 0.00 H new ATOM 0 HB2 ASP A 82 3.473 -6.284 2.756 1.00 0.00 H new ATOM 0 HB3 ASP A 82 3.242 -7.982 2.390 1.00 0.00 H new ATOM 1117 N VAL A 83 5.076 -8.594 0.124 1.00 0.00 N ATOM 1118 CA VAL A 83 4.898 -8.800 -1.308 1.00 0.00 C ATOM 1119 C VAL A 83 3.557 -9.462 -1.606 1.00 0.00 C ATOM 1120 O VAL A 83 3.170 -10.427 -0.948 1.00 0.00 O ATOM 1121 CB VAL A 83 6.028 -9.666 -1.896 1.00 0.00 C ATOM 1122 CG1 VAL A 83 5.791 -9.920 -3.377 1.00 0.00 C ATOM 1123 CG2 VAL A 83 7.379 -9.004 -1.669 1.00 0.00 C ATOM 0 H VAL A 83 5.197 -9.452 0.661 1.00 0.00 H new ATOM 0 HA VAL A 83 4.925 -7.815 -1.775 1.00 0.00 H new ATOM 0 HB VAL A 83 6.030 -10.628 -1.383 1.00 0.00 H new ATOM 0 HG11 VAL A 83 6.599 -10.533 -3.775 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.842 -10.440 -3.510 1.00 0.00 H new ATOM 0 HG13 VAL A 83 5.761 -8.969 -3.909 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.166 -9.629 -2.091 1.00 0.00 H new ATOM 0 HG22 VAL A 83 7.392 -8.028 -2.154 1.00 0.00 H new ATOM 0 HG23 VAL A 83 7.548 -8.880 -0.599 1.00 0.00 H new ATOM 1133 N VAL A 84 2.852 -8.937 -2.603 1.00 0.00 N ATOM 1134 CA VAL A 84 1.555 -9.478 -2.990 1.00 0.00 C ATOM 1135 C VAL A 84 1.537 -9.861 -4.465 1.00 0.00 C ATOM 1136 O VAL A 84 2.131 -9.179 -5.301 1.00 0.00 O ATOM 1137 CB VAL A 84 0.423 -8.470 -2.718 1.00 0.00 C ATOM 1138 CG1 VAL A 84 0.363 -8.119 -1.239 1.00 0.00 C ATOM 1139 CG2 VAL A 84 0.609 -7.219 -3.564 1.00 0.00 C ATOM 0 H VAL A 84 3.158 -8.137 -3.157 1.00 0.00 H new ATOM 0 HA VAL A 84 1.390 -10.370 -2.385 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.525 -8.932 -2.996 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.443 -7.406 -1.067 1.00 0.00 H new ATOM 0 HG12 VAL A 84 0.178 -9.022 -0.658 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.311 -7.677 -0.931 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.200 -6.518 -3.359 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.564 -6.753 -3.320 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.596 -7.489 -4.620 1.00 0.00 H new ATOM 1149 N ARG A 85 0.851 -10.955 -4.779 1.00 0.00 N ATOM 1150 CA ARG A 85 0.756 -11.429 -6.154 1.00 0.00 C ATOM 1151 C ARG A 85 -0.313 -10.657 -6.923 1.00 0.00 C ATOM 1152 O ARG A 85 -1.510 -10.868 -6.721 1.00 0.00 O ATOM 1153 CB ARG A 85 0.437 -12.925 -6.179 1.00 0.00 C ATOM 1154 CG ARG A 85 0.995 -13.647 -7.395 1.00 0.00 C ATOM 1155 CD ARG A 85 2.480 -13.936 -7.237 1.00 0.00 C ATOM 1156 NE ARG A 85 2.722 -15.158 -6.475 1.00 0.00 N ATOM 1157 CZ ARG A 85 2.465 -16.376 -6.939 1.00 0.00 C ATOM 1158 NH1 ARG A 85 1.963 -16.534 -8.156 1.00 0.00 N ATOM 1159 NH2 ARG A 85 2.713 -17.440 -6.185 1.00 0.00 N ATOM 0 H ARG A 85 0.353 -11.530 -4.099 1.00 0.00 H new ATOM 0 HA ARG A 85 1.719 -11.261 -6.637 1.00 0.00 H new ATOM 0 HB2 ARG A 85 0.837 -13.388 -5.277 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -0.645 -13.058 -6.153 1.00 0.00 H new ATOM 0 HG2 ARG A 85 0.455 -14.582 -7.544 1.00 0.00 H new ATOM 0 HG3 ARG A 85 0.834 -13.040 -8.286 1.00 0.00 H new ATOM 0 HD2 ARG A 85 2.938 -14.026 -8.222 1.00 0.00 H new ATOM 0 HD3 ARG A 85 2.962 -13.096 -6.737 1.00 0.00 H new ATOM 0 HE ARG A 85 3.109 -15.072 -5.535 1.00 0.00 H new ATOM 0 HH11 ARG A 85 1.773 -15.719 -8.739 1.00 0.00 H new ATOM 0 HH12 ARG A 85 1.767 -17.471 -8.509 1.00 0.00 H new ATOM 0 HH21 ARG A 85 3.101 -17.323 -5.249 1.00 0.00 H new ATOM 0 HH22 ARG A 85 2.516 -18.375 -6.542 1.00 0.00 H new ATOM 1173 N ILE A 86 0.127 -9.764 -7.802 1.00 0.00 N ATOM 1174 CA ILE A 86 -0.791 -8.962 -8.600 1.00 0.00 C ATOM 1175 C ILE A 86 -1.392 -9.782 -9.737 1.00 0.00 C ATOM 1176 O ILE A 86 -0.670 -10.403 -10.516 1.00 0.00 O ATOM 1177 CB ILE A 86 -0.090 -7.724 -9.191 1.00 0.00 C ATOM 1178 CG1 ILE A 86 0.480 -6.852 -8.072 1.00 0.00 C ATOM 1179 CG2 ILE A 86 -1.059 -6.927 -10.050 1.00 0.00 C ATOM 1180 CD1 ILE A 86 1.517 -5.858 -8.548 1.00 0.00 C ATOM 0 H ILE A 86 1.114 -9.578 -7.980 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.587 -8.635 -7.931 1.00 0.00 H new ATOM 0 HB ILE A 86 0.734 -8.057 -9.822 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -0.336 -6.312 -7.592 1.00 0.00 H new ATOM 0 HG13 ILE A 86 0.926 -7.495 -7.313 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.549 -6.055 -10.461 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -1.422 -7.553 -10.865 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.902 -6.601 -9.441 1.00 0.00 H new ATOM 0 HD11 ILE A 86 1.877 -5.274 -7.701 1.00 0.00 H new ATOM 0 HD12 ILE A 86 2.352 -6.392 -9.002 1.00 0.00 H new ATOM 0 HD13 ILE A 86 1.070 -5.191 -9.285 1.00 0.00 H new ATOM 1192 N GLN A 87 -2.719 -9.779 -9.824 1.00 0.00 N ATOM 1193 CA GLN A 87 -3.417 -10.522 -10.866 1.00 0.00 C ATOM 1194 C GLN A 87 -4.144 -9.576 -11.816 1.00 0.00 C ATOM 1195 O GLN A 87 -4.162 -9.791 -13.027 1.00 0.00 O ATOM 1196 CB GLN A 87 -4.412 -11.503 -10.243 1.00 0.00 C ATOM 1197 CG GLN A 87 -3.811 -12.363 -9.144 1.00 0.00 C ATOM 1198 CD GLN A 87 -4.594 -13.640 -8.908 1.00 0.00 C ATOM 1199 OE1 GLN A 87 -4.647 -14.518 -9.770 1.00 0.00 O ATOM 1200 NE2 GLN A 87 -5.209 -13.749 -7.736 1.00 0.00 N ATOM 0 H GLN A 87 -3.331 -9.271 -9.186 1.00 0.00 H new ATOM 0 HA GLN A 87 -2.676 -11.081 -11.437 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -5.254 -10.944 -9.836 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -4.808 -12.151 -11.025 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -2.783 -12.615 -9.406 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -3.773 -11.789 -8.218 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -5.138 -12.997 -7.051 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -5.752 -14.585 -7.521 1.00 0.00 H new ATOM 1209 N GLU A 88 -4.743 -8.529 -11.257 1.00 0.00 N ATOM 1210 CA GLU A 88 -5.472 -7.551 -12.055 1.00 0.00 C ATOM 1211 C GLU A 88 -5.236 -6.137 -11.532 1.00 0.00 C ATOM 1212 O GLU A 88 -4.914 -5.941 -10.360 1.00 0.00 O ATOM 1213 CB GLU A 88 -6.969 -7.866 -12.046 1.00 0.00 C ATOM 1214 CG GLU A 88 -7.764 -7.079 -13.074 1.00 0.00 C ATOM 1215 CD GLU A 88 -7.535 -7.571 -14.490 1.00 0.00 C ATOM 1216 OE1 GLU A 88 -6.360 -7.698 -14.892 1.00 0.00 O ATOM 1217 OE2 GLU A 88 -8.533 -7.830 -15.195 1.00 0.00 O ATOM 0 H GLU A 88 -4.738 -8.337 -10.255 1.00 0.00 H new ATOM 0 HA GLU A 88 -5.102 -7.608 -13.079 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -7.108 -8.931 -12.230 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -7.369 -7.659 -11.054 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -8.826 -7.148 -12.837 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -7.491 -6.026 -13.011 1.00 0.00 H new ATOM 1224 N THR A 89 -5.398 -5.152 -12.411 1.00 0.00 N ATOM 1225 CA THR A 89 -5.201 -3.757 -12.040 1.00 0.00 C ATOM 1226 C THR A 89 -6.408 -2.910 -12.426 1.00 0.00 C ATOM 1227 O THR A 89 -6.614 -2.604 -13.601 1.00 0.00 O ATOM 1228 CB THR A 89 -3.943 -3.170 -12.707 1.00 0.00 C ATOM 1229 OG1 THR A 89 -2.829 -4.047 -12.508 1.00 0.00 O ATOM 1230 CG2 THR A 89 -3.620 -1.796 -12.140 1.00 0.00 C ATOM 0 H THR A 89 -5.665 -5.296 -13.385 1.00 0.00 H new ATOM 0 HA THR A 89 -5.074 -3.733 -10.958 1.00 0.00 H new ATOM 0 HB THR A 89 -4.139 -3.068 -13.774 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.421 -3.865 -11.636 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.728 -1.402 -12.627 1.00 0.00 H new ATOM 0 HG22 THR A 89 -4.458 -1.122 -12.319 1.00 0.00 H new ATOM 0 HG23 THR A 89 -3.442 -1.877 -11.068 1.00 0.00 H new ATOM 1238 N CYS A 90 -7.203 -2.533 -11.430 1.00 0.00 N ATOM 1239 CA CYS A 90 -8.391 -1.720 -11.666 1.00 0.00 C ATOM 1240 C CYS A 90 -8.181 -0.293 -11.171 1.00 0.00 C ATOM 1241 O CYS A 90 -7.756 -0.075 -10.037 1.00 0.00 O ATOM 1242 CB CYS A 90 -9.604 -2.340 -10.972 1.00 0.00 C ATOM 1243 SG CYS A 90 -10.341 -3.725 -11.871 1.00 0.00 S ATOM 0 H CYS A 90 -7.046 -2.777 -10.452 1.00 0.00 H new ATOM 0 HA CYS A 90 -8.572 -1.689 -12.740 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -9.307 -2.681 -9.980 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -10.361 -1.569 -10.830 1.00 0.00 H new ATOM 0 HG CYS A 90 -11.358 -4.183 -11.204 1.00 0.00 H new ATOM 1249 N GLY A 91 -8.479 0.677 -12.030 1.00 0.00 N ATOM 1250 CA GLY A 91 -8.314 2.071 -11.662 1.00 0.00 C ATOM 1251 C GLY A 91 -7.112 2.296 -10.768 1.00 0.00 C ATOM 1252 O GLY A 91 -6.072 1.661 -10.943 1.00 0.00 O ATOM 0 H GLY A 91 -8.832 0.522 -12.974 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.209 2.672 -12.565 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -9.213 2.418 -11.152 1.00 0.00 H new ATOM 1256 N ASP A 92 -7.252 3.203 -9.808 1.00 0.00 N ATOM 1257 CA ASP A 92 -6.168 3.512 -8.882 1.00 0.00 C ATOM 1258 C ASP A 92 -6.101 2.480 -7.761 1.00 0.00 C ATOM 1259 O ASP A 92 -5.907 2.827 -6.596 1.00 0.00 O ATOM 1260 CB ASP A 92 -6.354 4.912 -8.294 1.00 0.00 C ATOM 1261 CG ASP A 92 -5.889 6.003 -9.239 1.00 0.00 C ATOM 1262 OD1 ASP A 92 -5.987 5.804 -10.468 1.00 0.00 O ATOM 1263 OD2 ASP A 92 -5.427 7.055 -8.749 1.00 0.00 O ATOM 0 H ASP A 92 -8.106 3.738 -9.650 1.00 0.00 H new ATOM 0 HA ASP A 92 -5.230 3.482 -9.436 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -7.406 5.066 -8.056 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -5.801 4.986 -7.358 1.00 0.00 H new ATOM 1268 N TRP A 93 -6.264 1.212 -8.120 1.00 0.00 N ATOM 1269 CA TRP A 93 -6.223 0.130 -7.143 1.00 0.00 C ATOM 1270 C TRP A 93 -5.744 -1.167 -7.787 1.00 0.00 C ATOM 1271 O TRP A 93 -6.070 -1.456 -8.938 1.00 0.00 O ATOM 1272 CB TRP A 93 -7.606 -0.076 -6.521 1.00 0.00 C ATOM 1273 CG TRP A 93 -8.124 1.138 -5.811 1.00 0.00 C ATOM 1274 CD1 TRP A 93 -8.597 2.284 -6.385 1.00 0.00 C ATOM 1275 CD2 TRP A 93 -8.220 1.327 -4.395 1.00 0.00 C ATOM 1276 NE1 TRP A 93 -8.981 3.174 -5.411 1.00 0.00 N ATOM 1277 CE2 TRP A 93 -8.760 2.610 -4.182 1.00 0.00 C ATOM 1278 CE3 TRP A 93 -7.904 0.537 -3.287 1.00 0.00 C ATOM 1279 CZ2 TRP A 93 -8.989 3.119 -2.906 1.00 0.00 C ATOM 1280 CZ3 TRP A 93 -8.131 1.043 -2.021 1.00 0.00 C ATOM 1281 CH2 TRP A 93 -8.670 2.323 -1.839 1.00 0.00 C ATOM 0 H TRP A 93 -6.426 0.908 -9.080 1.00 0.00 H new ATOM 0 HA TRP A 93 -5.517 0.408 -6.360 1.00 0.00 H new ATOM 0 HB2 TRP A 93 -8.310 -0.359 -7.304 1.00 0.00 H new ATOM 0 HB3 TRP A 93 -7.560 -0.908 -5.818 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -8.660 2.464 -7.448 1.00 0.00 H new ATOM 0 HE1 TRP A 93 -9.368 4.103 -5.576 1.00 0.00 H new ATOM 0 HE3 TRP A 93 -7.490 -0.452 -3.417 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 -9.403 4.106 -2.763 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 -7.889 0.441 -1.157 1.00 0.00 H new ATOM 0 HH2 TRP A 93 -8.837 2.689 -0.837 1.00 0.00 H new ATOM 1292 N TYR A 94 -4.970 -1.943 -7.037 1.00 0.00 N ATOM 1293 CA TYR A 94 -4.444 -3.208 -7.537 1.00 0.00 C ATOM 1294 C TYR A 94 -5.321 -4.375 -7.094 1.00 0.00 C ATOM 1295 O TYR A 94 -6.143 -4.240 -6.188 1.00 0.00 O ATOM 1296 CB TYR A 94 -3.011 -3.418 -7.046 1.00 0.00 C ATOM 1297 CG TYR A 94 -1.982 -2.629 -7.824 1.00 0.00 C ATOM 1298 CD1 TYR A 94 -1.947 -2.676 -9.212 1.00 0.00 C ATOM 1299 CD2 TYR A 94 -1.047 -1.836 -7.171 1.00 0.00 C ATOM 1300 CE1 TYR A 94 -1.008 -1.957 -9.927 1.00 0.00 C ATOM 1301 CE2 TYR A 94 -0.106 -1.113 -7.878 1.00 0.00 C ATOM 1302 CZ TYR A 94 -0.090 -1.177 -9.256 1.00 0.00 C ATOM 1303 OH TYR A 94 0.845 -0.458 -9.965 1.00 0.00 O ATOM 0 H TYR A 94 -4.693 -1.719 -6.081 1.00 0.00 H new ATOM 0 HA TYR A 94 -4.446 -3.168 -8.626 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.952 -3.138 -5.994 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -2.766 -4.478 -7.108 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -2.665 -3.284 -9.741 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -1.056 -1.784 -6.092 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -0.993 -2.006 -11.006 1.00 0.00 H new ATOM 0 HE2 TYR A 94 0.614 -0.501 -7.355 1.00 0.00 H new ATOM 0 HH TYR A 94 1.416 0.040 -9.343 1.00 0.00 H new ATOM 1313 N ARG A 95 -5.139 -5.522 -7.740 1.00 0.00 N ATOM 1314 CA ARG A 95 -5.913 -6.714 -7.415 1.00 0.00 C ATOM 1315 C ARG A 95 -4.995 -7.903 -7.149 1.00 0.00 C ATOM 1316 O ARG A 95 -4.242 -8.327 -8.024 1.00 0.00 O ATOM 1317 CB ARG A 95 -6.879 -7.047 -8.553 1.00 0.00 C ATOM 1318 CG ARG A 95 -7.892 -8.123 -8.197 1.00 0.00 C ATOM 1319 CD ARG A 95 -9.119 -7.531 -7.521 1.00 0.00 C ATOM 1320 NE ARG A 95 -9.884 -8.541 -6.794 1.00 0.00 N ATOM 1321 CZ ARG A 95 -9.420 -9.191 -5.732 1.00 0.00 C ATOM 1322 NH1 ARG A 95 -8.201 -8.937 -5.276 1.00 0.00 N ATOM 1323 NH2 ARG A 95 -10.177 -10.096 -5.124 1.00 0.00 N ATOM 0 H ARG A 95 -4.462 -5.651 -8.492 1.00 0.00 H new ATOM 0 HA ARG A 95 -6.485 -6.509 -6.510 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -7.411 -6.141 -8.844 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -6.306 -7.372 -9.421 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -8.193 -8.654 -9.100 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -7.429 -8.856 -7.536 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -8.810 -6.745 -6.832 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -9.757 -7.064 -8.272 1.00 0.00 H new ATOM 0 HE ARG A 95 -10.826 -8.759 -7.119 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -7.617 -8.241 -5.741 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -7.847 -9.437 -4.461 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -11.115 -10.293 -5.472 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -9.820 -10.595 -4.309 1.00 0.00 H new ATOM 1337 N GLY A 96 -5.062 -8.436 -5.932 1.00 0.00 N ATOM 1338 CA GLY A 96 -4.232 -9.570 -5.572 1.00 0.00 C ATOM 1339 C GLY A 96 -4.410 -9.984 -4.125 1.00 0.00 C ATOM 1340 O GLY A 96 -5.437 -9.692 -3.511 1.00 0.00 O ATOM 0 H GLY A 96 -5.677 -8.102 -5.190 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.473 -10.413 -6.220 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.186 -9.321 -5.749 1.00 0.00 H new ATOM 1344 N TYR A 97 -3.410 -10.666 -3.578 1.00 0.00 N ATOM 1345 CA TYR A 97 -3.463 -11.124 -2.195 1.00 0.00 C ATOM 1346 C TYR A 97 -2.060 -11.246 -1.608 1.00 0.00 C ATOM 1347 O TYR A 97 -1.070 -11.291 -2.339 1.00 0.00 O ATOM 1348 CB TYR A 97 -4.183 -12.470 -2.109 1.00 0.00 C ATOM 1349 CG TYR A 97 -3.526 -13.562 -2.923 1.00 0.00 C ATOM 1350 CD1 TYR A 97 -2.272 -14.052 -2.579 1.00 0.00 C ATOM 1351 CD2 TYR A 97 -4.158 -14.102 -4.036 1.00 0.00 C ATOM 1352 CE1 TYR A 97 -1.668 -15.049 -3.320 1.00 0.00 C ATOM 1353 CE2 TYR A 97 -3.562 -15.100 -4.782 1.00 0.00 C ATOM 1354 CZ TYR A 97 -2.317 -15.570 -4.420 1.00 0.00 C ATOM 1355 OH TYR A 97 -1.718 -16.563 -5.162 1.00 0.00 O ATOM 0 H TYR A 97 -2.552 -10.914 -4.072 1.00 0.00 H new ATOM 0 HA TYR A 97 -4.017 -10.386 -1.615 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -4.227 -12.783 -1.066 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -5.211 -12.345 -2.448 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -1.761 -13.647 -1.718 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -5.132 -13.735 -4.323 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -0.693 -15.419 -3.040 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -4.068 -15.510 -5.644 1.00 0.00 H new ATOM 0 HH TYR A 97 -2.308 -16.820 -5.901 1.00 0.00 H new ATOM 1365 N LEU A 98 -1.984 -11.300 -0.283 1.00 0.00 N ATOM 1366 CA LEU A 98 -0.703 -11.418 0.406 1.00 0.00 C ATOM 1367 C LEU A 98 -0.091 -12.798 0.184 1.00 0.00 C ATOM 1368 O LEU A 98 -0.617 -13.804 0.659 1.00 0.00 O ATOM 1369 CB LEU A 98 -0.881 -11.161 1.903 1.00 0.00 C ATOM 1370 CG LEU A 98 0.405 -10.963 2.707 1.00 0.00 C ATOM 1371 CD1 LEU A 98 1.241 -9.843 2.109 1.00 0.00 C ATOM 1372 CD2 LEU A 98 0.082 -10.669 4.165 1.00 0.00 C ATOM 0 H LEU A 98 -2.794 -11.264 0.336 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.026 -10.670 -0.006 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.504 -10.275 2.028 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -1.429 -11.999 2.333 1.00 0.00 H new ATOM 0 HG LEU A 98 0.985 -11.885 2.662 1.00 0.00 H new ATOM 0 HD11 LEU A 98 2.152 -9.717 2.694 1.00 0.00 H new ATOM 0 HD12 LEU A 98 1.502 -10.093 1.081 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.669 -8.915 2.123 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.009 -10.531 4.722 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -0.518 -9.762 4.229 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.476 -11.504 4.590 1.00 0.00 H new ATOM 1384 N ILE A 99 1.023 -12.835 -0.539 1.00 0.00 N ATOM 1385 CA ILE A 99 1.709 -14.091 -0.820 1.00 0.00 C ATOM 1386 C ILE A 99 2.061 -14.825 0.468 1.00 0.00 C ATOM 1387 O ILE A 99 1.699 -15.988 0.653 1.00 0.00 O ATOM 1388 CB ILE A 99 2.995 -13.860 -1.635 1.00 0.00 C ATOM 1389 CG1 ILE A 99 2.681 -13.088 -2.918 1.00 0.00 C ATOM 1390 CG2 ILE A 99 3.663 -15.188 -1.959 1.00 0.00 C ATOM 1391 CD1 ILE A 99 3.913 -12.681 -3.696 1.00 0.00 C ATOM 0 H ILE A 99 1.470 -12.011 -0.941 1.00 0.00 H new ATOM 0 HA ILE A 99 1.022 -14.701 -1.406 1.00 0.00 H new ATOM 0 HB ILE A 99 3.685 -13.266 -1.036 1.00 0.00 H new ATOM 0 HG12 ILE A 99 2.045 -13.702 -3.556 1.00 0.00 H new ATOM 0 HG13 ILE A 99 2.110 -12.195 -2.664 1.00 0.00 H new ATOM 0 HG21 ILE A 99 4.570 -15.008 -2.535 1.00 0.00 H new ATOM 0 HG22 ILE A 99 3.918 -15.703 -1.033 1.00 0.00 H new ATOM 0 HG23 ILE A 99 2.980 -15.806 -2.542 1.00 0.00 H new ATOM 0 HD11 ILE A 99 3.614 -12.138 -4.593 1.00 0.00 H new ATOM 0 HD12 ILE A 99 4.540 -12.040 -3.076 1.00 0.00 H new ATOM 0 HD13 ILE A 99 4.474 -13.571 -3.981 1.00 0.00 H new ATOM 1403 N LYS A 100 2.769 -14.139 1.359 1.00 0.00 N ATOM 1404 CA LYS A 100 3.169 -14.724 2.634 1.00 0.00 C ATOM 1405 C LYS A 100 1.954 -15.225 3.408 1.00 0.00 C ATOM 1406 O LYS A 100 2.037 -16.208 4.145 1.00 0.00 O ATOM 1407 CB LYS A 100 3.933 -13.697 3.472 1.00 0.00 C ATOM 1408 CG LYS A 100 3.214 -12.366 3.607 1.00 0.00 C ATOM 1409 CD LYS A 100 4.045 -11.360 4.385 1.00 0.00 C ATOM 1410 CE LYS A 100 4.738 -12.009 5.573 1.00 0.00 C ATOM 1411 NZ LYS A 100 5.506 -11.018 6.377 1.00 0.00 N ATOM 0 H LYS A 100 3.078 -13.177 1.222 1.00 0.00 H new ATOM 0 HA LYS A 100 3.821 -15.573 2.427 1.00 0.00 H new ATOM 0 HB2 LYS A 100 4.107 -14.109 4.466 1.00 0.00 H new ATOM 0 HB3 LYS A 100 4.911 -13.528 3.021 1.00 0.00 H new ATOM 0 HG2 LYS A 100 2.993 -11.968 2.616 1.00 0.00 H new ATOM 0 HG3 LYS A 100 2.259 -12.517 4.110 1.00 0.00 H new ATOM 0 HD2 LYS A 100 4.791 -10.915 3.726 1.00 0.00 H new ATOM 0 HD3 LYS A 100 3.405 -10.550 4.734 1.00 0.00 H new ATOM 0 HE2 LYS A 100 3.995 -12.493 6.207 1.00 0.00 H new ATOM 0 HE3 LYS A 100 5.412 -12.789 5.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 5.963 -11.500 7.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 6.232 -10.574 5.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 4.859 -10.287 6.737 1.00 0.00 H new ATOM 1425 N HIS A 101 0.825 -14.544 3.235 1.00 0.00 N ATOM 1426 CA HIS A 101 -0.408 -14.922 3.916 1.00 0.00 C ATOM 1427 C HIS A 101 -1.591 -14.895 2.952 1.00 0.00 C ATOM 1428 O HIS A 101 -2.336 -13.916 2.894 1.00 0.00 O ATOM 1429 CB HIS A 101 -0.673 -13.983 5.093 1.00 0.00 C ATOM 1430 CG HIS A 101 0.305 -14.141 6.217 1.00 0.00 C ATOM 1431 ND1 HIS A 101 0.739 -15.369 6.670 1.00 0.00 N ATOM 1432 CD2 HIS A 101 0.936 -13.217 6.978 1.00 0.00 C ATOM 1433 CE1 HIS A 101 1.592 -15.193 7.663 1.00 0.00 C ATOM 1434 NE2 HIS A 101 1.730 -13.896 7.869 1.00 0.00 N ATOM 0 H HIS A 101 0.739 -13.728 2.629 1.00 0.00 H new ATOM 0 HA HIS A 101 -0.291 -15.939 4.291 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -0.644 -12.953 4.739 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -1.680 -14.162 5.470 1.00 0.00 H new ATOM 0 HD2 HIS A 101 0.834 -12.145 6.899 1.00 0.00 H new ATOM 0 HE1 HIS A 101 2.092 -15.977 8.213 1.00 0.00 H new ATOM 0 HE2 HIS A 101 2.329 -13.468 8.575 1.00 0.00 H new ATOM 1443 N LYS A 102 -1.757 -15.975 2.197 1.00 0.00 N ATOM 1444 CA LYS A 102 -2.849 -16.077 1.236 1.00 0.00 C ATOM 1445 C LYS A 102 -4.196 -16.144 1.949 1.00 0.00 C ATOM 1446 O LYS A 102 -5.247 -16.161 1.308 1.00 0.00 O ATOM 1447 CB LYS A 102 -2.665 -17.313 0.353 1.00 0.00 C ATOM 1448 CG LYS A 102 -1.336 -17.343 -0.382 1.00 0.00 C ATOM 1449 CD LYS A 102 -1.432 -18.132 -1.677 1.00 0.00 C ATOM 1450 CE LYS A 102 -0.112 -18.806 -2.018 1.00 0.00 C ATOM 1451 NZ LYS A 102 0.748 -17.940 -2.872 1.00 0.00 N ATOM 0 H LYS A 102 -1.149 -16.793 2.232 1.00 0.00 H new ATOM 0 HA LYS A 102 -2.833 -15.185 0.609 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -2.749 -18.207 0.971 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -3.475 -17.352 -0.376 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -1.016 -16.324 -0.599 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -0.574 -17.786 0.260 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -2.214 -18.886 -1.588 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -1.722 -17.466 -2.490 1.00 0.00 H new ATOM 0 HE2 LYS A 102 0.419 -19.051 -1.098 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -0.307 -19.746 -2.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 1.638 -18.435 -3.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 0.252 -17.727 -3.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 0.955 -17.053 -2.370 1.00 0.00 H new ATOM 1465 N MET A 103 -4.157 -16.181 3.276 1.00 0.00 N ATOM 1466 CA MET A 103 -5.376 -16.244 4.075 1.00 0.00 C ATOM 1467 C MET A 103 -6.187 -14.960 3.930 1.00 0.00 C ATOM 1468 O MET A 103 -7.372 -14.922 4.265 1.00 0.00 O ATOM 1469 CB MET A 103 -5.034 -16.481 5.547 1.00 0.00 C ATOM 1470 CG MET A 103 -4.324 -15.309 6.203 1.00 0.00 C ATOM 1471 SD MET A 103 -4.192 -15.489 7.993 1.00 0.00 S ATOM 1472 CE MET A 103 -3.747 -17.218 8.127 1.00 0.00 C ATOM 0 H MET A 103 -3.295 -16.168 3.821 1.00 0.00 H new ATOM 0 HA MET A 103 -5.978 -17.077 3.710 1.00 0.00 H new ATOM 0 HB2 MET A 103 -5.952 -16.692 6.095 1.00 0.00 H new ATOM 0 HB3 MET A 103 -4.404 -17.367 5.627 1.00 0.00 H new ATOM 0 HG2 MET A 103 -3.325 -15.210 5.777 1.00 0.00 H new ATOM 0 HG3 MET A 103 -4.861 -14.389 5.973 1.00 0.00 H new ATOM 0 HE1 MET A 103 -3.373 -17.421 9.130 1.00 0.00 H new ATOM 0 HE2 MET A 103 -4.625 -17.835 7.936 1.00 0.00 H new ATOM 0 HE3 MET A 103 -2.972 -17.452 7.397 1.00 0.00 H new ATOM 1482 N LEU A 104 -5.543 -13.912 3.429 1.00 0.00 N ATOM 1483 CA LEU A 104 -6.206 -12.626 3.239 1.00 0.00 C ATOM 1484 C LEU A 104 -6.075 -12.154 1.795 1.00 0.00 C ATOM 1485 O LEU A 104 -4.976 -12.118 1.241 1.00 0.00 O ATOM 1486 CB LEU A 104 -5.613 -11.581 4.186 1.00 0.00 C ATOM 1487 CG LEU A 104 -4.088 -11.471 4.194 1.00 0.00 C ATOM 1488 CD1 LEU A 104 -3.656 -10.053 4.532 1.00 0.00 C ATOM 1489 CD2 LEU A 104 -3.488 -12.463 5.181 1.00 0.00 C ATOM 0 H LEU A 104 -4.563 -13.927 3.147 1.00 0.00 H new ATOM 0 HA LEU A 104 -7.265 -12.753 3.465 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -6.026 -10.607 3.924 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -5.946 -11.807 5.199 1.00 0.00 H new ATOM 0 HG LEU A 104 -3.720 -11.712 3.197 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -2.568 -9.995 4.533 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -4.056 -9.364 3.788 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -4.035 -9.783 5.518 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -2.402 -12.371 5.174 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -3.864 -12.252 6.182 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -3.768 -13.476 4.894 1.00 0.00 H new ATOM 1501 N GLN A 105 -7.202 -11.790 1.192 1.00 0.00 N ATOM 1502 CA GLN A 105 -7.212 -11.319 -0.188 1.00 0.00 C ATOM 1503 C GLN A 105 -8.089 -10.079 -0.332 1.00 0.00 C ATOM 1504 O GLN A 105 -9.028 -9.877 0.436 1.00 0.00 O ATOM 1505 CB GLN A 105 -7.710 -12.422 -1.123 1.00 0.00 C ATOM 1506 CG GLN A 105 -7.096 -13.783 -0.839 1.00 0.00 C ATOM 1507 CD GLN A 105 -8.019 -14.928 -1.208 1.00 0.00 C ATOM 1508 OE1 GLN A 105 -9.032 -14.733 -1.879 1.00 0.00 O ATOM 1509 NE2 GLN A 105 -7.672 -16.133 -0.770 1.00 0.00 N ATOM 0 H GLN A 105 -8.120 -11.812 1.637 1.00 0.00 H new ATOM 0 HA GLN A 105 -6.191 -11.055 -0.463 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -8.794 -12.497 -1.038 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -7.490 -12.141 -2.153 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -6.163 -13.880 -1.395 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -6.845 -13.850 0.220 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -6.823 -16.250 -0.216 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -8.254 -16.942 -0.987 1.00 0.00 H new ATOM 1518 N GLY A 106 -7.775 -9.251 -1.324 1.00 0.00 N ATOM 1519 CA GLY A 106 -8.544 -8.041 -1.551 1.00 0.00 C ATOM 1520 C GLY A 106 -7.857 -7.089 -2.511 1.00 0.00 C ATOM 1521 O GLY A 106 -7.217 -7.520 -3.470 1.00 0.00 O ATOM 0 H GLY A 106 -7.002 -9.396 -1.974 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -9.525 -8.306 -1.946 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -8.710 -7.536 -0.600 1.00 0.00 H new ATOM 1525 N ILE A 107 -7.991 -5.793 -2.252 1.00 0.00 N ATOM 1526 CA ILE A 107 -7.378 -4.778 -3.101 1.00 0.00 C ATOM 1527 C ILE A 107 -6.612 -3.755 -2.269 1.00 0.00 C ATOM 1528 O ILE A 107 -6.739 -3.714 -1.045 1.00 0.00 O ATOM 1529 CB ILE A 107 -8.431 -4.046 -3.953 1.00 0.00 C ATOM 1530 CG1 ILE A 107 -9.595 -3.581 -3.075 1.00 0.00 C ATOM 1531 CG2 ILE A 107 -8.931 -4.950 -5.070 1.00 0.00 C ATOM 1532 CD1 ILE A 107 -10.589 -2.703 -3.804 1.00 0.00 C ATOM 0 H ILE A 107 -8.518 -5.421 -1.462 1.00 0.00 H new ATOM 0 HA ILE A 107 -6.684 -5.297 -3.763 1.00 0.00 H new ATOM 0 HB ILE A 107 -7.967 -3.169 -4.403 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -10.114 -4.455 -2.682 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -9.198 -3.034 -2.220 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -9.675 -4.418 -5.663 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -8.095 -5.236 -5.708 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -9.382 -5.844 -4.640 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -11.386 -2.411 -3.121 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -10.084 -1.811 -4.174 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -11.014 -3.254 -4.643 1.00 0.00 H new ATOM 1544 N PHE A 108 -5.818 -2.928 -2.942 1.00 0.00 N ATOM 1545 CA PHE A 108 -5.032 -1.904 -2.265 1.00 0.00 C ATOM 1546 C PHE A 108 -4.600 -0.815 -3.243 1.00 0.00 C ATOM 1547 O PHE A 108 -4.605 -1.001 -4.460 1.00 0.00 O ATOM 1548 CB PHE A 108 -3.802 -2.528 -1.603 1.00 0.00 C ATOM 1549 CG PHE A 108 -3.300 -3.756 -2.309 1.00 0.00 C ATOM 1550 CD1 PHE A 108 -2.376 -3.652 -3.336 1.00 0.00 C ATOM 1551 CD2 PHE A 108 -3.753 -5.014 -1.945 1.00 0.00 C ATOM 1552 CE1 PHE A 108 -1.913 -4.779 -3.987 1.00 0.00 C ATOM 1553 CE2 PHE A 108 -3.292 -6.145 -2.592 1.00 0.00 C ATOM 1554 CZ PHE A 108 -2.372 -6.027 -3.615 1.00 0.00 C ATOM 0 H PHE A 108 -5.702 -2.947 -3.955 1.00 0.00 H new ATOM 0 HA PHE A 108 -5.658 -1.451 -1.496 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -3.003 -1.787 -1.567 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -4.045 -2.785 -0.572 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -2.013 -2.678 -3.631 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -4.474 -5.112 -1.147 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -1.193 -4.684 -4.786 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -3.651 -7.120 -2.298 1.00 0.00 H new ATOM 0 HZ PHE A 108 -2.012 -6.909 -4.123 1.00 0.00 H new ATOM 1564 N PRO A 109 -4.218 0.350 -2.700 1.00 0.00 N ATOM 1565 CA PRO A 109 -3.776 1.492 -3.506 1.00 0.00 C ATOM 1566 C PRO A 109 -2.425 1.246 -4.168 1.00 0.00 C ATOM 1567 O PRO A 109 -1.481 0.785 -3.526 1.00 0.00 O ATOM 1568 CB PRO A 109 -3.671 2.628 -2.484 1.00 0.00 C ATOM 1569 CG PRO A 109 -3.439 1.945 -1.181 1.00 0.00 C ATOM 1570 CD PRO A 109 -4.187 0.642 -1.257 1.00 0.00 C ATOM 0 HA PRO A 109 -4.462 1.700 -4.327 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -2.852 3.305 -2.727 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -4.582 3.225 -2.461 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -2.375 1.775 -1.013 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -3.799 2.554 -0.352 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -3.681 -0.145 -0.699 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -5.192 0.731 -0.843 1.00 0.00 H new ATOM 1578 N LYS A 110 -2.338 1.556 -5.457 1.00 0.00 N ATOM 1579 CA LYS A 110 -1.102 1.370 -6.208 1.00 0.00 C ATOM 1580 C LYS A 110 0.012 2.249 -5.649 1.00 0.00 C ATOM 1581 O LYS A 110 1.193 1.935 -5.789 1.00 0.00 O ATOM 1582 CB LYS A 110 -1.326 1.691 -7.687 1.00 0.00 C ATOM 1583 CG LYS A 110 -2.539 0.998 -8.284 1.00 0.00 C ATOM 1584 CD LYS A 110 -3.103 1.775 -9.461 1.00 0.00 C ATOM 1585 CE LYS A 110 -2.225 1.632 -10.695 1.00 0.00 C ATOM 1586 NZ LYS A 110 -2.962 1.974 -11.943 1.00 0.00 N ATOM 0 H LYS A 110 -3.110 1.938 -6.004 1.00 0.00 H new ATOM 0 HA LYS A 110 -0.801 0.327 -6.111 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -1.440 2.769 -7.803 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -0.439 1.402 -8.251 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -2.263 -0.005 -8.608 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -3.308 0.886 -7.519 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -4.108 1.419 -9.685 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -3.190 2.828 -9.195 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -1.354 2.280 -10.598 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -1.855 0.609 -10.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -2.698 1.307 -12.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -3.986 1.912 -11.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -2.718 2.942 -12.236 1.00 0.00 H new ATOM 1600 N SER A 111 -0.373 3.352 -5.014 1.00 0.00 N ATOM 1601 CA SER A 111 0.593 4.278 -4.435 1.00 0.00 C ATOM 1602 C SER A 111 1.305 3.646 -3.243 1.00 0.00 C ATOM 1603 O SER A 111 2.294 4.180 -2.742 1.00 0.00 O ATOM 1604 CB SER A 111 -0.103 5.570 -4.002 1.00 0.00 C ATOM 1605 OG SER A 111 -1.172 5.299 -3.112 1.00 0.00 O ATOM 0 H SER A 111 -1.347 3.626 -4.888 1.00 0.00 H new ATOM 0 HA SER A 111 1.336 4.512 -5.197 1.00 0.00 H new ATOM 0 HB2 SER A 111 0.617 6.231 -3.520 1.00 0.00 H new ATOM 0 HB3 SER A 111 -0.480 6.095 -4.879 1.00 0.00 H new ATOM 0 HG SER A 111 -1.600 6.140 -2.848 1.00 0.00 H new ATOM 1611 N PHE A 112 0.794 2.504 -2.795 1.00 0.00 N ATOM 1612 CA PHE A 112 1.380 1.798 -1.661 1.00 0.00 C ATOM 1613 C PHE A 112 2.169 0.579 -2.128 1.00 0.00 C ATOM 1614 O PHE A 112 2.996 0.042 -1.391 1.00 0.00 O ATOM 1615 CB PHE A 112 0.286 1.367 -0.682 1.00 0.00 C ATOM 1616 CG PHE A 112 -0.266 2.499 0.137 1.00 0.00 C ATOM 1617 CD1 PHE A 112 -0.762 3.638 -0.477 1.00 0.00 C ATOM 1618 CD2 PHE A 112 -0.289 2.424 1.520 1.00 0.00 C ATOM 1619 CE1 PHE A 112 -1.269 4.681 0.275 1.00 0.00 C ATOM 1620 CE2 PHE A 112 -0.796 3.463 2.277 1.00 0.00 C ATOM 1621 CZ PHE A 112 -1.287 4.593 1.653 1.00 0.00 C ATOM 0 H PHE A 112 -0.024 2.048 -3.199 1.00 0.00 H new ATOM 0 HA PHE A 112 2.064 2.479 -1.155 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -0.527 0.903 -1.240 1.00 0.00 H new ATOM 0 HB3 PHE A 112 0.688 0.607 -0.012 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -0.752 3.711 -1.554 1.00 0.00 H new ATOM 0 HD2 PHE A 112 0.094 1.543 2.013 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -1.651 5.564 -0.215 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -0.808 3.391 3.355 1.00 0.00 H new ATOM 0 HZ PHE A 112 -1.684 5.407 2.242 1.00 0.00 H new ATOM 1631 N ILE A 113 1.907 0.147 -3.357 1.00 0.00 N ATOM 1632 CA ILE A 113 2.593 -1.008 -3.923 1.00 0.00 C ATOM 1633 C ILE A 113 3.724 -0.576 -4.850 1.00 0.00 C ATOM 1634 O ILE A 113 3.505 0.159 -5.814 1.00 0.00 O ATOM 1635 CB ILE A 113 1.621 -1.912 -4.704 1.00 0.00 C ATOM 1636 CG1 ILE A 113 0.482 -2.379 -3.795 1.00 0.00 C ATOM 1637 CG2 ILE A 113 2.362 -3.106 -5.289 1.00 0.00 C ATOM 1638 CD1 ILE A 113 0.953 -3.165 -2.592 1.00 0.00 C ATOM 0 H ILE A 113 1.225 0.579 -3.980 1.00 0.00 H new ATOM 0 HA ILE A 113 3.007 -1.571 -3.086 1.00 0.00 H new ATOM 0 HB ILE A 113 1.193 -1.336 -5.525 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -0.079 -1.509 -3.454 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -0.206 -2.995 -4.375 1.00 0.00 H new ATOM 0 HG21 ILE A 113 1.662 -3.735 -5.838 1.00 0.00 H new ATOM 0 HG22 ILE A 113 3.141 -2.755 -5.965 1.00 0.00 H new ATOM 0 HG23 ILE A 113 2.814 -3.684 -4.483 1.00 0.00 H new ATOM 0 HD11 ILE A 113 0.093 -3.463 -1.993 1.00 0.00 H new ATOM 0 HD12 ILE A 113 1.489 -4.054 -2.925 1.00 0.00 H new ATOM 0 HD13 ILE A 113 1.617 -2.545 -1.990 1.00 0.00 H new ATOM 1650 N HIS A 114 4.934 -1.039 -4.554 1.00 0.00 N ATOM 1651 CA HIS A 114 6.100 -0.702 -5.363 1.00 0.00 C ATOM 1652 C HIS A 114 6.416 -1.820 -6.352 1.00 0.00 C ATOM 1653 O HIS A 114 7.007 -2.836 -5.987 1.00 0.00 O ATOM 1654 CB HIS A 114 7.311 -0.442 -4.466 1.00 0.00 C ATOM 1655 CG HIS A 114 8.503 0.081 -5.206 1.00 0.00 C ATOM 1656 ND1 HIS A 114 8.480 1.248 -5.940 1.00 0.00 N ATOM 1657 CD2 HIS A 114 9.760 -0.409 -5.321 1.00 0.00 C ATOM 1658 CE1 HIS A 114 9.670 1.452 -6.476 1.00 0.00 C ATOM 1659 NE2 HIS A 114 10.465 0.461 -6.115 1.00 0.00 N ATOM 0 H HIS A 114 5.133 -1.648 -3.760 1.00 0.00 H new ATOM 0 HA HIS A 114 5.872 0.204 -5.925 1.00 0.00 H new ATOM 0 HB2 HIS A 114 7.032 0.272 -3.691 1.00 0.00 H new ATOM 0 HB3 HIS A 114 7.585 -1.369 -3.961 1.00 0.00 H new ATOM 0 HD2 HIS A 114 10.138 -1.316 -4.872 1.00 0.00 H new ATOM 0 HE1 HIS A 114 9.946 2.287 -7.103 1.00 0.00 H new ATOM 0 HE2 HIS A 114 11.444 0.359 -6.383 1.00 0.00 H new ATOM 1668 N ILE A 115 6.018 -1.624 -7.604 1.00 0.00 N ATOM 1669 CA ILE A 115 6.259 -2.615 -8.646 1.00 0.00 C ATOM 1670 C ILE A 115 7.749 -2.760 -8.933 1.00 0.00 C ATOM 1671 O ILE A 115 8.380 -1.851 -9.473 1.00 0.00 O ATOM 1672 CB ILE A 115 5.529 -2.249 -9.952 1.00 0.00 C ATOM 1673 CG1 ILE A 115 4.017 -2.205 -9.722 1.00 0.00 C ATOM 1674 CG2 ILE A 115 5.875 -3.244 -11.049 1.00 0.00 C ATOM 1675 CD1 ILE A 115 3.497 -3.363 -8.898 1.00 0.00 C ATOM 0 H ILE A 115 5.527 -0.788 -7.922 1.00 0.00 H new ATOM 0 HA ILE A 115 5.869 -3.563 -8.275 1.00 0.00 H new ATOM 0 HB ILE A 115 5.858 -1.259 -10.270 1.00 0.00 H new ATOM 0 HG12 ILE A 115 3.761 -1.270 -9.223 1.00 0.00 H new ATOM 0 HG13 ILE A 115 3.511 -2.200 -10.687 1.00 0.00 H new ATOM 0 HG21 ILE A 115 5.351 -2.972 -11.965 1.00 0.00 H new ATOM 0 HG22 ILE A 115 6.950 -3.230 -11.227 1.00 0.00 H new ATOM 0 HG23 ILE A 115 5.572 -4.245 -10.741 1.00 0.00 H new ATOM 0 HD11 ILE A 115 2.418 -3.267 -8.775 1.00 0.00 H new ATOM 0 HD12 ILE A 115 3.722 -4.301 -9.406 1.00 0.00 H new ATOM 0 HD13 ILE A 115 3.976 -3.357 -7.919 1.00 0.00 H new ATOM 1687 N LYS A 116 8.307 -3.910 -8.570 1.00 0.00 N ATOM 1688 CA LYS A 116 9.724 -4.177 -8.790 1.00 0.00 C ATOM 1689 C LYS A 116 9.962 -4.724 -10.194 1.00 0.00 C ATOM 1690 O LYS A 116 9.763 -5.912 -10.448 1.00 0.00 O ATOM 1691 CB LYS A 116 10.245 -5.169 -7.749 1.00 0.00 C ATOM 1692 CG LYS A 116 10.190 -4.642 -6.325 1.00 0.00 C ATOM 1693 CD LYS A 116 10.697 -5.672 -5.330 1.00 0.00 C ATOM 1694 CE LYS A 116 11.265 -5.010 -4.084 1.00 0.00 C ATOM 1695 NZ LYS A 116 11.580 -6.005 -3.021 1.00 0.00 N ATOM 0 H LYS A 116 7.799 -4.673 -8.122 1.00 0.00 H new ATOM 0 HA LYS A 116 10.266 -3.237 -8.689 1.00 0.00 H new ATOM 0 HB2 LYS A 116 9.661 -6.087 -7.810 1.00 0.00 H new ATOM 0 HB3 LYS A 116 11.275 -5.430 -7.991 1.00 0.00 H new ATOM 0 HG2 LYS A 116 10.789 -3.735 -6.248 1.00 0.00 H new ATOM 0 HG3 LYS A 116 9.165 -4.369 -6.076 1.00 0.00 H new ATOM 0 HD2 LYS A 116 9.883 -6.340 -5.049 1.00 0.00 H new ATOM 0 HD3 LYS A 116 11.465 -6.286 -5.800 1.00 0.00 H new ATOM 0 HE2 LYS A 116 12.169 -4.459 -4.345 1.00 0.00 H new ATOM 0 HE3 LYS A 116 10.549 -4.283 -3.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 11.437 -5.572 -2.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 10.953 -6.829 -3.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 12.570 -6.310 -3.113 1.00 0.00 H new