USER MOD reduce.3.24.130724 H: found=0, std=0, add=1228, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1226 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 125 HIS : no HD1:sc= -0.0723 K(o=-0.072,f=-1.9) USER MOD Set 1.2: A 130 ASN : amide:sc= 0 K(o=-0.072,f=-0.87) USER MOD Set 2.1: A 82 ASN :FLIP amide:sc= -3.11 F(o=-5.7!,f=-5.2) USER MOD Set 2.2: A 83 ASN :FLIP amide:sc= -2.04! C(o=-11!,f=-5.2!) USER MOD Set 3.1: A 58 SER OG : rot 180:sc= 0.254 USER MOD Set 3.2: A 94 GLN : amide:sc= 0.0665 K(o=0.32,f=-0.2) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 180:sc= 0.862 USER MOD Single : A 5 LYS NZ :NH3+ 166:sc= -0.0129 (180deg=-0.197) USER MOD Single : A 11 ASN : amide:sc= -2.33 K(o=-2.3,f=-9.3!) USER MOD Single : A 13 GLN : amide:sc= -2.52 K(o=-2.5,f=-7.5!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc=-0.00555 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.027 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.0085) USER MOD Single : A 32 GLN : amide:sc= -1.98! C(o=-2!,f=-8.2!) USER MOD Single : A 36 MET CE :methyl -166:sc= -0.371 (180deg=-0.736) USER MOD Single : A 37 ASN : amide:sc= -1.11 K(o=-1.1,f=-5.9!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 HIS : no HD1:sc= -5.3! C(o=-5.3!,f=-5.3!) USER MOD Single : A 55 THR OG1 : rot 178:sc= -1.95! USER MOD Single : A 68 THR OG1 : rot 93:sc= 0.825 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= 0.358 K(o=0.36,f=-0.31) USER MOD Single : A 79 ASN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 81 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.012) USER MOD Single : A 84 ASN : amide:sc= -0.0255 K(o=-0.026,f=-2.2!) USER MOD Single : A 101 THR OG1 : rot 124:sc= 0.676 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 TYR OH : rot 180:sc= -2.65! USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 119 HIS : no HE2:sc= 0.295 K(o=0.3,f=-1.1) USER MOD Single : A 122 MET CE :methyl 165:sc= -1.54 (180deg=-2.01) USER MOD Single : A 128 SER OG : rot 79:sc= 0.988 USER MOD Single : A 131 TYR OH : rot -130:sc= 1.59 USER MOD Single : A 136 SER OG : rot 180:sc= 0.58 USER MOD Single : A 143 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 144 GLN : amide:sc= -1.14 X(o=-1.1,f=-0.65) USER MOD Single : A 149 SER OG : rot 90:sc= 0.97 USER MOD Single : A 152 HIS : no HD1:sc= -0.104 X(o=-0.1,f=0) USER MOD Single : A 153 HIS : no HE2:sc= -0.265 K(o=-0.27,f=-1.5) USER MOD Single : A 154 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 155 HIS : no HE2:sc= 0.572 K(o=0.57,f=-2.1!) USER MOD Single : A 156 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 157 HIS : no HD1:sc= -0.0206 X(o=-0.021,f=-0.021) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.729 1.900 20.380 1.00 5.11 N ATOM 2 CA MET A 1 3.020 1.514 19.749 1.00 31.51 C ATOM 3 C MET A 1 3.308 0.019 19.949 1.00 11.24 C ATOM 4 O MET A 1 3.609 -0.416 21.059 1.00 5.41 O ATOM 5 CB MET A 1 4.168 2.341 20.348 1.00 14.34 C ATOM 6 CG MET A 1 5.547 2.006 19.791 1.00 74.44 C ATOM 7 SD MET A 1 6.859 2.941 20.603 1.00 62.23 S ATOM 8 CE MET A 1 8.310 2.303 19.770 1.00 61.25 C ATOM 0 H1 MET A 1 1.559 2.915 20.230 1.00 5.11 H new ATOM 0 H2 MET A 1 0.956 1.352 19.951 1.00 5.11 H new ATOM 0 H3 MET A 1 1.769 1.703 21.400 1.00 5.11 H new ATOM 0 HA MET A 1 2.944 1.713 18.680 1.00 31.51 H new ATOM 0 HB2 MET A 1 3.967 3.398 20.174 1.00 14.34 H new ATOM 0 HB3 MET A 1 4.181 2.193 21.428 1.00 14.34 H new ATOM 0 HG2 MET A 1 5.736 0.939 19.912 1.00 74.44 H new ATOM 0 HG3 MET A 1 5.565 2.214 18.721 1.00 74.44 H new ATOM 0 HE1 MET A 1 9.201 2.789 20.167 1.00 61.25 H new ATOM 0 HE2 MET A 1 8.380 1.228 19.933 1.00 61.25 H new ATOM 0 HE3 MET A 1 8.234 2.503 18.701 1.00 61.25 H new ATOM 20 N ARG A 2 3.206 -0.764 18.876 1.00 33.24 N ATOM 21 CA ARG A 2 3.567 -2.187 18.919 1.00 73.53 C ATOM 22 C ARG A 2 4.510 -2.521 17.755 1.00 74.52 C ATOM 23 O ARG A 2 4.143 -2.366 16.590 1.00 74.04 O ATOM 24 CB ARG A 2 2.307 -3.069 18.877 1.00 70.32 C ATOM 25 CG ARG A 2 2.569 -4.533 19.230 1.00 34.25 C ATOM 26 CD ARG A 2 1.272 -5.331 19.366 1.00 44.31 C ATOM 27 NE ARG A 2 0.609 -5.560 18.082 1.00 72.23 N ATOM 28 CZ ARG A 2 -0.673 -5.410 17.877 1.00 42.45 C ATOM 29 NH1 ARG A 2 -1.448 -4.966 18.811 1.00 41.50 N ATOM 30 NH2 ARG A 2 -1.180 -5.714 16.731 1.00 3.44 N ATOM 0 H ARG A 2 2.877 -0.441 17.966 1.00 33.24 H new ATOM 0 HA ARG A 2 4.085 -2.392 19.856 1.00 73.53 H new ATOM 0 HB2 ARG A 2 1.568 -2.664 19.569 1.00 70.32 H new ATOM 0 HB3 ARG A 2 1.871 -3.018 17.879 1.00 70.32 H new ATOM 0 HG2 ARG A 2 3.194 -4.985 18.460 1.00 34.25 H new ATOM 0 HG3 ARG A 2 3.127 -4.586 20.165 1.00 34.25 H new ATOM 0 HD2 ARG A 2 1.489 -6.291 19.834 1.00 44.31 H new ATOM 0 HD3 ARG A 2 0.592 -4.799 20.031 1.00 44.31 H new ATOM 0 HE ARG A 2 1.186 -5.856 17.295 1.00 72.23 H new ATOM 0 HH11 ARG A 2 -1.061 -4.727 19.724 1.00 41.50 H new ATOM 0 HH12 ARG A 2 -2.447 -4.855 18.635 1.00 41.50 H new ATOM 0 HH21 ARG A 2 -0.581 -6.071 15.987 1.00 3.44 H new ATOM 0 HH22 ARG A 2 -2.180 -5.598 16.569 1.00 3.44 H new ATOM 44 N VAL A 3 5.722 -2.960 18.080 1.00 12.42 N ATOM 45 CA VAL A 3 6.778 -3.168 17.076 1.00 25.34 C ATOM 46 C VAL A 3 6.616 -4.491 16.300 1.00 55.11 C ATOM 47 O VAL A 3 6.323 -5.542 16.879 1.00 71.52 O ATOM 48 CB VAL A 3 8.180 -3.137 17.739 1.00 64.02 C ATOM 49 CG1 VAL A 3 9.286 -3.282 16.693 1.00 52.33 C ATOM 50 CG2 VAL A 3 8.365 -1.856 18.553 1.00 34.42 C ATOM 0 H VAL A 3 6.005 -3.182 19.034 1.00 12.42 H new ATOM 0 HA VAL A 3 6.682 -2.349 16.363 1.00 25.34 H new ATOM 0 HB VAL A 3 8.250 -3.986 18.419 1.00 64.02 H new ATOM 0 HG11 VAL A 3 10.258 -3.257 17.185 1.00 52.33 H new ATOM 0 HG12 VAL A 3 9.169 -4.231 16.169 1.00 52.33 H new ATOM 0 HG13 VAL A 3 9.220 -2.462 15.978 1.00 52.33 H new ATOM 0 HG21 VAL A 3 9.355 -1.855 19.009 1.00 34.42 H new ATOM 0 HG22 VAL A 3 8.267 -0.991 17.897 1.00 34.42 H new ATOM 0 HG23 VAL A 3 7.606 -1.808 19.333 1.00 34.42 H new ATOM 60 N TYR A 4 6.800 -4.416 14.980 1.00 52.04 N ATOM 61 CA TYR A 4 6.783 -5.594 14.100 1.00 13.11 C ATOM 62 C TYR A 4 8.059 -5.673 13.255 1.00 60.15 C ATOM 63 O TYR A 4 8.684 -4.655 12.953 1.00 70.40 O ATOM 64 CB TYR A 4 5.567 -5.551 13.163 1.00 70.12 C ATOM 65 CG TYR A 4 4.264 -5.969 13.813 1.00 45.13 C ATOM 66 CD1 TYR A 4 3.659 -5.180 14.783 1.00 42.14 C ATOM 67 CD2 TYR A 4 3.639 -7.157 13.451 1.00 72.50 C ATOM 68 CE1 TYR A 4 2.474 -5.564 15.372 1.00 40.15 C ATOM 69 CE2 TYR A 4 2.452 -7.544 14.036 1.00 65.00 C ATOM 70 CZ TYR A 4 1.876 -6.745 14.996 1.00 30.41 C ATOM 71 OH TYR A 4 0.692 -7.127 15.582 1.00 14.24 O ATOM 0 H TYR A 4 6.965 -3.538 14.488 1.00 52.04 H new ATOM 0 HA TYR A 4 6.724 -6.475 14.738 1.00 13.11 H new ATOM 0 HB2 TYR A 4 5.458 -4.538 12.775 1.00 70.12 H new ATOM 0 HB3 TYR A 4 5.758 -6.201 12.309 1.00 70.12 H new ATOM 0 HD1 TYR A 4 4.124 -4.252 15.080 1.00 42.14 H new ATOM 0 HD2 TYR A 4 4.091 -7.787 12.699 1.00 72.50 H new ATOM 0 HE1 TYR A 4 2.016 -4.941 16.126 1.00 40.15 H new ATOM 0 HE2 TYR A 4 1.978 -8.469 13.742 1.00 65.00 H new ATOM 0 HH TYR A 4 0.402 -7.984 15.205 1.00 14.24 H new ATOM 81 N LYS A 5 8.440 -6.889 12.875 1.00 42.34 N ATOM 82 CA LYS A 5 9.572 -7.101 11.968 1.00 50.52 C ATOM 83 C LYS A 5 9.092 -7.703 10.636 1.00 3.43 C ATOM 84 O LYS A 5 7.935 -8.124 10.523 1.00 74.31 O ATOM 85 CB LYS A 5 10.609 -8.047 12.602 1.00 11.54 C ATOM 86 CG LYS A 5 11.099 -7.638 13.986 1.00 22.04 C ATOM 87 CD LYS A 5 12.181 -8.593 14.490 1.00 31.35 C ATOM 88 CE LYS A 5 12.535 -8.349 15.951 1.00 63.42 C ATOM 89 NZ LYS A 5 11.402 -8.674 16.860 1.00 61.03 N ATOM 0 H LYS A 5 7.982 -7.748 13.180 1.00 42.34 H new ATOM 0 HA LYS A 5 10.035 -6.132 11.783 1.00 50.52 H new ATOM 0 HB2 LYS A 5 10.175 -9.045 12.668 1.00 11.54 H new ATOM 0 HB3 LYS A 5 11.469 -8.117 11.936 1.00 11.54 H new ATOM 0 HG2 LYS A 5 11.494 -6.623 13.950 1.00 22.04 H new ATOM 0 HG3 LYS A 5 10.262 -7.630 14.684 1.00 22.04 H new ATOM 0 HD2 LYS A 5 11.840 -9.621 14.368 1.00 31.35 H new ATOM 0 HD3 LYS A 5 13.076 -8.479 13.878 1.00 31.35 H new ATOM 0 HE2 LYS A 5 13.401 -8.954 16.220 1.00 63.42 H new ATOM 0 HE3 LYS A 5 12.820 -7.306 16.086 1.00 63.42 H new ATOM 0 HZ1 LYS A 5 11.747 -8.725 17.840 1.00 61.03 H new ATOM 0 HZ2 LYS A 5 10.675 -7.934 16.787 1.00 61.03 H new ATOM 0 HZ3 LYS A 5 10.992 -9.591 16.589 1.00 61.03 H new ATOM 103 N PRO A 6 9.966 -7.759 9.602 1.00 32.32 N ATOM 104 CA PRO A 6 9.675 -8.477 8.344 1.00 62.42 C ATOM 105 C PRO A 6 9.644 -10.006 8.542 1.00 71.24 C ATOM 106 O PRO A 6 10.309 -10.755 7.828 1.00 53.11 O ATOM 107 CB PRO A 6 10.839 -8.069 7.415 1.00 74.12 C ATOM 108 CG PRO A 6 11.469 -6.890 8.076 1.00 12.03 C ATOM 109 CD PRO A 6 11.283 -7.105 9.549 1.00 52.21 C ATOM 0 HA PRO A 6 8.693 -8.222 7.945 1.00 62.42 H new ATOM 0 HB2 PRO A 6 11.554 -8.884 7.298 1.00 74.12 H new ATOM 0 HB3 PRO A 6 10.478 -7.816 6.418 1.00 74.12 H new ATOM 0 HG2 PRO A 6 12.526 -6.817 7.821 1.00 12.03 H new ATOM 0 HG3 PRO A 6 10.998 -5.962 7.753 1.00 12.03 H new ATOM 0 HD2 PRO A 6 12.067 -7.733 9.971 1.00 52.21 H new ATOM 0 HD3 PRO A 6 11.294 -6.166 10.102 1.00 52.21 H new ATOM 117 N GLU A 7 8.873 -10.448 9.529 1.00 64.33 N ATOM 118 CA GLU A 7 8.695 -11.873 9.829 1.00 42.04 C ATOM 119 C GLU A 7 7.474 -12.082 10.743 1.00 12.21 C ATOM 120 O GLU A 7 6.838 -13.136 10.712 1.00 55.01 O ATOM 121 CB GLU A 7 9.973 -12.461 10.460 1.00 12.43 C ATOM 122 CG GLU A 7 10.336 -11.893 11.833 1.00 52.01 C ATOM 123 CD GLU A 7 10.019 -12.853 12.970 1.00 24.10 C ATOM 124 OE1 GLU A 7 10.846 -13.749 13.246 1.00 14.41 O ATOM 125 OE2 GLU A 7 8.948 -12.723 13.591 1.00 1.23 O ATOM 0 H GLU A 7 8.350 -9.830 10.149 1.00 64.33 H new ATOM 0 HA GLU A 7 8.511 -12.404 8.895 1.00 42.04 H new ATOM 0 HB2 GLU A 7 9.852 -13.540 10.550 1.00 12.43 H new ATOM 0 HB3 GLU A 7 10.808 -12.290 9.780 1.00 12.43 H new ATOM 0 HG2 GLU A 7 11.399 -11.652 11.852 1.00 52.01 H new ATOM 0 HG3 GLU A 7 9.795 -10.960 11.990 1.00 52.01 H new ATOM 132 N ASP A 8 7.151 -11.069 11.557 1.00 31.52 N ATOM 133 CA ASP A 8 5.906 -11.073 12.341 1.00 53.02 C ATOM 134 C ASP A 8 4.688 -10.943 11.415 1.00 45.33 C ATOM 135 O ASP A 8 3.594 -11.415 11.727 1.00 23.13 O ATOM 136 CB ASP A 8 5.891 -9.917 13.350 1.00 13.21 C ATOM 137 CG ASP A 8 6.992 -10.017 14.388 1.00 14.33 C ATOM 138 OD1 ASP A 8 6.760 -10.630 15.450 1.00 31.41 O ATOM 139 OD2 ASP A 8 8.085 -9.458 14.157 1.00 31.11 O ATOM 0 H ASP A 8 7.730 -10.240 11.691 1.00 31.52 H new ATOM 0 HA ASP A 8 5.857 -12.019 12.880 1.00 53.02 H new ATOM 0 HB2 ASP A 8 5.991 -8.973 12.813 1.00 13.21 H new ATOM 0 HB3 ASP A 8 4.925 -9.896 13.855 1.00 13.21 H new ATOM 144 N VAL A 9 4.900 -10.283 10.280 1.00 54.41 N ATOM 145 CA VAL A 9 3.850 -10.059 9.286 1.00 14.00 C ATOM 146 C VAL A 9 3.464 -11.365 8.568 1.00 10.42 C ATOM 147 O VAL A 9 4.319 -12.021 7.970 1.00 74.14 O ATOM 148 CB VAL A 9 4.309 -9.020 8.231 1.00 0.25 C ATOM 149 CG1 VAL A 9 3.210 -8.754 7.203 1.00 15.00 C ATOM 150 CG2 VAL A 9 4.749 -7.723 8.910 1.00 53.41 C ATOM 0 H VAL A 9 5.804 -9.888 10.022 1.00 54.41 H new ATOM 0 HA VAL A 9 2.978 -9.681 9.820 1.00 14.00 H new ATOM 0 HB VAL A 9 5.165 -9.435 7.699 1.00 0.25 H new ATOM 0 HG11 VAL A 9 3.561 -8.021 6.476 1.00 15.00 H new ATOM 0 HG12 VAL A 9 2.959 -9.682 6.690 1.00 15.00 H new ATOM 0 HG13 VAL A 9 2.325 -8.368 7.708 1.00 15.00 H new ATOM 0 HG21 VAL A 9 5.068 -7.006 8.153 1.00 53.41 H new ATOM 0 HG22 VAL A 9 3.915 -7.307 9.475 1.00 53.41 H new ATOM 0 HG23 VAL A 9 5.579 -7.930 9.586 1.00 53.41 H new ATOM 160 N PRO A 10 2.176 -11.766 8.624 1.00 10.31 N ATOM 161 CA PRO A 10 1.687 -12.951 7.896 1.00 74.23 C ATOM 162 C PRO A 10 1.863 -12.807 6.372 1.00 41.20 C ATOM 163 O PRO A 10 1.322 -11.885 5.752 1.00 73.34 O ATOM 164 CB PRO A 10 0.196 -13.028 8.279 1.00 14.15 C ATOM 165 CG PRO A 10 -0.147 -11.660 8.769 1.00 65.54 C ATOM 166 CD PRO A 10 1.106 -11.119 9.405 1.00 51.33 C ATOM 0 HA PRO A 10 2.241 -13.852 8.158 1.00 74.23 H new ATOM 0 HB2 PRO A 10 -0.418 -13.306 7.422 1.00 14.15 H new ATOM 0 HB3 PRO A 10 0.025 -13.778 9.051 1.00 14.15 H new ATOM 0 HG2 PRO A 10 -0.474 -11.022 7.948 1.00 65.54 H new ATOM 0 HG3 PRO A 10 -0.965 -11.697 9.489 1.00 65.54 H new ATOM 0 HD2 PRO A 10 1.157 -10.032 9.337 1.00 51.33 H new ATOM 0 HD3 PRO A 10 1.166 -11.376 10.463 1.00 51.33 H new ATOM 174 N ASN A 11 2.632 -13.723 5.780 1.00 44.54 N ATOM 175 CA ASN A 11 2.957 -13.672 4.349 1.00 61.10 C ATOM 176 C ASN A 11 1.715 -13.838 3.442 1.00 61.22 C ATOM 177 O ASN A 11 1.395 -14.934 2.983 1.00 12.10 O ATOM 178 CB ASN A 11 4.026 -14.724 4.013 1.00 4.24 C ATOM 179 CG ASN A 11 3.658 -16.124 4.483 1.00 21.45 C ATOM 180 OD1 ASN A 11 3.014 -16.885 3.772 1.00 42.11 O ATOM 181 ND2 ASN A 11 4.078 -16.479 5.676 1.00 73.24 N ATOM 0 H ASN A 11 3.045 -14.515 6.272 1.00 44.54 H new ATOM 0 HA ASN A 11 3.353 -12.677 4.145 1.00 61.10 H new ATOM 0 HB2 ASN A 11 4.185 -14.740 2.935 1.00 4.24 H new ATOM 0 HB3 ASN A 11 4.971 -14.431 4.470 1.00 4.24 H new ATOM 0 HD21 ASN A 11 3.870 -17.411 6.034 1.00 73.24 H new ATOM 0 HD22 ASN A 11 4.613 -15.822 6.245 1.00 73.24 H new ATOM 188 N VAL A 12 1.027 -12.727 3.169 1.00 30.03 N ATOM 189 CA VAL A 12 -0.170 -12.746 2.311 1.00 64.13 C ATOM 190 C VAL A 12 0.179 -12.868 0.813 1.00 22.12 C ATOM 191 O VAL A 12 -0.711 -12.871 -0.039 1.00 72.44 O ATOM 192 CB VAL A 12 -1.043 -11.483 2.528 1.00 55.44 C ATOM 193 CG1 VAL A 12 -1.555 -11.424 3.966 1.00 71.21 C ATOM 194 CG2 VAL A 12 -0.269 -10.214 2.164 1.00 35.34 C ATOM 0 H VAL A 12 1.273 -11.804 3.526 1.00 30.03 H new ATOM 0 HA VAL A 12 -0.733 -13.632 2.605 1.00 64.13 H new ATOM 0 HB VAL A 12 -1.906 -11.546 1.865 1.00 55.44 H new ATOM 0 HG11 VAL A 12 -2.165 -10.531 4.099 1.00 71.21 H new ATOM 0 HG12 VAL A 12 -2.156 -12.309 4.175 1.00 71.21 H new ATOM 0 HG13 VAL A 12 -0.709 -11.390 4.652 1.00 71.21 H new ATOM 0 HG21 VAL A 12 -0.903 -9.342 2.325 1.00 35.34 H new ATOM 0 HG22 VAL A 12 0.619 -10.137 2.791 1.00 35.34 H new ATOM 0 HG23 VAL A 12 0.029 -10.257 1.116 1.00 35.34 H new ATOM 204 N GLN A 13 1.475 -12.948 0.500 1.00 34.12 N ATOM 205 CA GLN A 13 1.941 -13.137 -0.887 1.00 72.22 C ATOM 206 C GLN A 13 2.799 -14.403 -1.041 1.00 55.13 C ATOM 207 O GLN A 13 3.351 -14.666 -2.110 1.00 50.41 O ATOM 208 CB GLN A 13 2.730 -11.907 -1.357 1.00 13.51 C ATOM 209 CG GLN A 13 1.858 -10.684 -1.606 1.00 34.32 C ATOM 210 CD GLN A 13 0.885 -10.897 -2.753 1.00 14.52 C ATOM 211 OE1 GLN A 13 1.185 -10.601 -3.902 1.00 64.21 O ATOM 212 NE2 GLN A 13 -0.284 -11.430 -2.454 1.00 44.14 N ATOM 0 H GLN A 13 2.227 -12.885 1.187 1.00 34.12 H new ATOM 0 HA GLN A 13 1.056 -13.261 -1.511 1.00 72.22 H new ATOM 0 HB2 GLN A 13 3.483 -11.660 -0.608 1.00 13.51 H new ATOM 0 HB3 GLN A 13 3.263 -12.156 -2.275 1.00 13.51 H new ATOM 0 HG2 GLN A 13 1.302 -10.446 -0.699 1.00 34.32 H new ATOM 0 HG3 GLN A 13 2.493 -9.826 -1.825 1.00 34.32 H new ATOM 0 HE21 GLN A 13 -0.504 -11.666 -1.486 1.00 44.14 H new ATOM 0 HE22 GLN A 13 -0.967 -11.606 -3.190 1.00 44.14 H new ATOM 221 N LEU A 14 2.901 -15.185 0.030 1.00 74.24 N ATOM 222 CA LEU A 14 3.643 -16.451 0.009 1.00 1.25 C ATOM 223 C LEU A 14 2.670 -17.617 0.235 1.00 22.45 C ATOM 224 O LEU A 14 2.605 -18.550 -0.570 1.00 24.31 O ATOM 225 CB LEU A 14 4.757 -16.417 1.076 1.00 71.42 C ATOM 226 CG LEU A 14 5.817 -17.540 1.018 1.00 61.14 C ATOM 227 CD1 LEU A 14 7.038 -17.162 1.853 1.00 10.12 C ATOM 228 CD2 LEU A 14 5.246 -18.877 1.496 1.00 11.51 C ATOM 0 H LEU A 14 2.477 -14.966 0.932 1.00 74.24 H new ATOM 0 HA LEU A 14 4.118 -16.594 -0.962 1.00 1.25 H new ATOM 0 HB2 LEU A 14 5.273 -15.460 0.997 1.00 71.42 H new ATOM 0 HB3 LEU A 14 4.286 -16.446 2.059 1.00 71.42 H new ATOM 0 HG LEU A 14 6.118 -17.657 -0.023 1.00 61.14 H new ATOM 0 HD11 LEU A 14 7.776 -17.963 1.802 1.00 10.12 H new ATOM 0 HD12 LEU A 14 7.474 -16.242 1.464 1.00 10.12 H new ATOM 0 HD13 LEU A 14 6.737 -17.011 2.890 1.00 10.12 H new ATOM 0 HD21 LEU A 14 6.019 -19.643 1.441 1.00 11.51 H new ATOM 0 HD22 LEU A 14 4.904 -18.779 2.526 1.00 11.51 H new ATOM 0 HD23 LEU A 14 4.407 -19.162 0.861 1.00 11.51 H new ATOM 240 N ALA A 15 1.911 -17.556 1.331 1.00 24.54 N ATOM 241 CA ALA A 15 0.850 -18.534 1.593 1.00 14.35 C ATOM 242 C ALA A 15 -0.210 -18.501 0.482 1.00 53.33 C ATOM 243 O ALA A 15 -0.504 -19.519 -0.149 1.00 62.34 O ATOM 244 CB ALA A 15 0.210 -18.267 2.953 1.00 53.45 C ATOM 0 H ALA A 15 2.010 -16.841 2.052 1.00 24.54 H new ATOM 0 HA ALA A 15 1.295 -19.529 1.606 1.00 14.35 H new ATOM 0 HB1 ALA A 15 -0.576 -19.000 3.135 1.00 53.45 H new ATOM 0 HB2 ALA A 15 0.967 -18.345 3.733 1.00 53.45 H new ATOM 0 HB3 ALA A 15 -0.219 -17.265 2.963 1.00 53.45 H new ATOM 250 N ASP A 16 -0.769 -17.317 0.241 1.00 73.23 N ATOM 251 CA ASP A 16 -1.753 -17.113 -0.829 1.00 0.03 C ATOM 252 C ASP A 16 -1.338 -15.944 -1.735 1.00 75.21 C ATOM 253 O ASP A 16 -0.289 -15.335 -1.537 1.00 74.14 O ATOM 254 CB ASP A 16 -3.138 -16.842 -0.231 1.00 70.23 C ATOM 255 CG ASP A 16 -3.625 -17.990 0.635 1.00 3.43 C ATOM 256 OD1 ASP A 16 -3.271 -18.024 1.828 1.00 65.32 O ATOM 257 OD2 ASP A 16 -4.351 -18.873 0.122 1.00 75.11 O ATOM 0 H ASP A 16 -0.557 -16.475 0.776 1.00 73.23 H new ATOM 0 HA ASP A 16 -1.795 -18.021 -1.431 1.00 0.03 H new ATOM 0 HB2 ASP A 16 -3.102 -15.930 0.365 1.00 70.23 H new ATOM 0 HB3 ASP A 16 -3.852 -16.669 -1.036 1.00 70.23 H new ATOM 262 N SER A 17 -2.155 -15.651 -2.742 1.00 73.12 N ATOM 263 CA SER A 17 -1.911 -14.509 -3.640 1.00 2.31 C ATOM 264 C SER A 17 -3.164 -13.636 -3.798 1.00 43.20 C ATOM 265 O SER A 17 -3.092 -12.526 -4.322 1.00 44.24 O ATOM 266 CB SER A 17 -1.460 -15.006 -5.021 1.00 15.53 C ATOM 267 OG SER A 17 -2.465 -15.797 -5.632 1.00 11.24 O ATOM 0 H SER A 17 -2.995 -16.185 -2.963 1.00 73.12 H new ATOM 0 HA SER A 17 -1.124 -13.903 -3.191 1.00 2.31 H new ATOM 0 HB2 SER A 17 -1.226 -14.154 -5.659 1.00 15.53 H new ATOM 0 HB3 SER A 17 -0.545 -15.590 -4.920 1.00 15.53 H new ATOM 0 HG SER A 17 -2.154 -16.100 -6.511 1.00 11.24 H new ATOM 273 N THR A 18 -4.304 -14.141 -3.327 1.00 72.53 N ATOM 274 CA THR A 18 -5.599 -13.459 -3.496 1.00 34.11 C ATOM 275 C THR A 18 -5.826 -12.339 -2.465 1.00 23.12 C ATOM 276 O THR A 18 -6.272 -11.251 -2.821 1.00 33.15 O ATOM 277 CB THR A 18 -6.766 -14.467 -3.388 1.00 32.14 C ATOM 278 OG1 THR A 18 -6.708 -15.142 -2.122 1.00 41.34 O ATOM 279 CG2 THR A 18 -6.712 -15.497 -4.515 1.00 15.44 C ATOM 0 H THR A 18 -4.363 -15.025 -2.822 1.00 72.53 H new ATOM 0 HA THR A 18 -5.572 -13.009 -4.488 1.00 34.11 H new ATOM 0 HB THR A 18 -7.701 -13.913 -3.471 1.00 32.14 H new ATOM 0 HG1 THR A 18 -7.450 -15.779 -2.056 1.00 41.34 H new ATOM 0 HG21 THR A 18 -7.545 -16.192 -4.413 1.00 15.44 H new ATOM 0 HG22 THR A 18 -6.780 -14.988 -5.477 1.00 15.44 H new ATOM 0 HG23 THR A 18 -5.772 -16.046 -4.461 1.00 15.44 H new ATOM 287 N ARG A 19 -5.536 -12.621 -1.190 1.00 73.21 N ATOM 288 CA ARG A 19 -5.742 -11.647 -0.101 1.00 64.21 C ATOM 289 C ARG A 19 -5.068 -10.292 -0.396 1.00 34.13 C ATOM 290 O ARG A 19 -5.740 -9.266 -0.465 1.00 12.30 O ATOM 291 CB ARG A 19 -5.220 -12.229 1.227 1.00 44.44 C ATOM 292 CG ARG A 19 -5.307 -11.279 2.427 1.00 24.33 C ATOM 293 CD ARG A 19 -6.743 -10.862 2.741 1.00 71.54 C ATOM 294 NE ARG A 19 -6.821 -9.997 3.925 1.00 42.22 N ATOM 295 CZ ARG A 19 -7.896 -9.337 4.284 1.00 42.13 C ATOM 296 NH1 ARG A 19 -8.957 -9.349 3.538 1.00 31.43 N ATOM 297 NH2 ARG A 19 -7.897 -8.643 5.376 1.00 50.10 N ATOM 0 H ARG A 19 -5.157 -13.516 -0.882 1.00 73.21 H new ATOM 0 HA ARG A 19 -6.813 -11.461 -0.022 1.00 64.21 H new ATOM 0 HB2 ARG A 19 -5.783 -13.133 1.457 1.00 44.44 H new ATOM 0 HB3 ARG A 19 -4.180 -12.527 1.092 1.00 44.44 H new ATOM 0 HG2 ARG A 19 -4.873 -11.763 3.302 1.00 24.33 H new ATOM 0 HG3 ARG A 19 -4.710 -10.390 2.226 1.00 24.33 H new ATOM 0 HD2 ARG A 19 -7.164 -10.339 1.882 1.00 71.54 H new ATOM 0 HD3 ARG A 19 -7.351 -11.752 2.902 1.00 71.54 H new ATOM 0 HE ARG A 19 -5.987 -9.904 4.505 1.00 42.22 H new ATOM 0 HH11 ARG A 19 -8.960 -9.875 2.664 1.00 31.43 H new ATOM 0 HH12 ARG A 19 -9.788 -8.833 3.825 1.00 31.43 H new ATOM 0 HH21 ARG A 19 -7.061 -8.609 5.959 1.00 50.10 H new ATOM 0 HH22 ARG A 19 -8.734 -8.130 5.654 1.00 50.10 H new ATOM 311 N LEU A 20 -3.736 -10.296 -0.536 1.00 40.13 N ATOM 312 CA LEU A 20 -2.974 -9.075 -0.873 1.00 10.01 C ATOM 313 C LEU A 20 -3.090 -7.994 0.222 1.00 11.04 C ATOM 314 O LEU A 20 -2.603 -6.877 0.056 1.00 2.52 O ATOM 315 CB LEU A 20 -3.447 -8.512 -2.229 1.00 23.50 C ATOM 316 CG LEU A 20 -3.059 -9.345 -3.471 1.00 31.55 C ATOM 317 CD1 LEU A 20 -4.037 -9.102 -4.616 1.00 41.33 C ATOM 318 CD2 LEU A 20 -1.636 -9.013 -3.922 1.00 61.23 C ATOM 0 H LEU A 20 -3.159 -11.129 -0.422 1.00 40.13 H new ATOM 0 HA LEU A 20 -1.923 -9.356 -0.942 1.00 10.01 H new ATOM 0 HB2 LEU A 20 -4.532 -8.416 -2.203 1.00 23.50 H new ATOM 0 HB3 LEU A 20 -3.041 -7.507 -2.346 1.00 23.50 H new ATOM 0 HG LEU A 20 -3.103 -10.398 -3.193 1.00 31.55 H new ATOM 0 HD11 LEU A 20 -3.743 -9.699 -5.479 1.00 41.33 H new ATOM 0 HD12 LEU A 20 -5.042 -9.387 -4.303 1.00 41.33 H new ATOM 0 HD13 LEU A 20 -4.027 -8.046 -4.885 1.00 41.33 H new ATOM 0 HD21 LEU A 20 -1.383 -9.611 -4.798 1.00 61.23 H new ATOM 0 HD22 LEU A 20 -1.572 -7.955 -4.174 1.00 61.23 H new ATOM 0 HD23 LEU A 20 -0.937 -9.237 -3.116 1.00 61.23 H new ATOM 330 N VAL A 21 -3.711 -8.339 1.348 1.00 43.20 N ATOM 331 CA VAL A 21 -3.961 -7.381 2.432 1.00 1.24 C ATOM 332 C VAL A 21 -3.587 -7.963 3.805 1.00 34.52 C ATOM 333 O VAL A 21 -4.120 -8.995 4.221 1.00 52.22 O ATOM 334 CB VAL A 21 -5.455 -6.963 2.463 1.00 64.30 C ATOM 335 CG1 VAL A 21 -5.747 -6.042 3.651 1.00 21.13 C ATOM 336 CG2 VAL A 21 -5.865 -6.295 1.153 1.00 60.41 C ATOM 0 H VAL A 21 -4.054 -9.281 1.538 1.00 43.20 H new ATOM 0 HA VAL A 21 -3.334 -6.512 2.233 1.00 1.24 H new ATOM 0 HB VAL A 21 -6.048 -7.870 2.583 1.00 64.30 H new ATOM 0 HG11 VAL A 21 -6.801 -5.766 3.647 1.00 21.13 H new ATOM 0 HG12 VAL A 21 -5.512 -6.561 4.580 1.00 21.13 H new ATOM 0 HG13 VAL A 21 -5.136 -5.143 3.573 1.00 21.13 H new ATOM 0 HG21 VAL A 21 -6.917 -6.012 1.202 1.00 60.41 H new ATOM 0 HG22 VAL A 21 -5.257 -5.405 0.993 1.00 60.41 H new ATOM 0 HG23 VAL A 21 -5.715 -6.990 0.327 1.00 60.41 H new ATOM 346 N THR A 22 -2.675 -7.297 4.504 1.00 0.31 N ATOM 347 CA THR A 22 -2.301 -7.690 5.869 1.00 54.13 C ATOM 348 C THR A 22 -2.767 -6.639 6.886 1.00 31.32 C ATOM 349 O THR A 22 -2.154 -5.577 7.022 1.00 62.11 O ATOM 350 CB THR A 22 -0.770 -7.880 6.018 1.00 43.24 C ATOM 351 OG1 THR A 22 -0.297 -8.888 5.111 1.00 75.23 O ATOM 352 CG2 THR A 22 -0.399 -8.271 7.443 1.00 2.55 C ATOM 0 H THR A 22 -2.177 -6.480 4.152 1.00 0.31 H new ATOM 0 HA THR A 22 -2.794 -8.642 6.065 1.00 54.13 H new ATOM 0 HB THR A 22 -0.297 -6.927 5.781 1.00 43.24 H new ATOM 0 HG1 THR A 22 0.671 -8.995 5.216 1.00 75.23 H new ATOM 0 HG21 THR A 22 0.681 -8.397 7.516 1.00 2.55 H new ATOM 0 HG22 THR A 22 -0.720 -7.488 8.130 1.00 2.55 H new ATOM 0 HG23 THR A 22 -0.892 -9.208 7.703 1.00 2.55 H new ATOM 360 N ASP A 23 -3.853 -6.925 7.596 1.00 44.52 N ATOM 361 CA ASP A 23 -4.395 -5.986 8.580 1.00 74.53 C ATOM 362 C ASP A 23 -3.978 -6.355 10.020 1.00 71.42 C ATOM 363 O ASP A 23 -4.706 -7.031 10.746 1.00 71.24 O ATOM 364 CB ASP A 23 -5.925 -5.892 8.440 1.00 50.21 C ATOM 365 CG ASP A 23 -6.614 -7.248 8.475 1.00 10.52 C ATOM 366 OD1 ASP A 23 -6.380 -8.064 7.555 1.00 51.54 O ATOM 367 OD2 ASP A 23 -7.397 -7.502 9.416 1.00 1.50 O ATOM 0 H ASP A 23 -4.376 -7.796 7.511 1.00 44.52 H new ATOM 0 HA ASP A 23 -3.971 -5.003 8.376 1.00 74.53 H new ATOM 0 HB2 ASP A 23 -6.319 -5.270 9.244 1.00 50.21 H new ATOM 0 HB3 ASP A 23 -6.168 -5.392 7.502 1.00 50.21 H new ATOM 372 N GLU A 24 -2.783 -5.911 10.418 1.00 64.51 N ATOM 373 CA GLU A 24 -2.279 -6.141 11.779 1.00 73.42 C ATOM 374 C GLU A 24 -2.556 -4.926 12.675 1.00 34.22 C ATOM 375 O GLU A 24 -2.985 -5.071 13.821 1.00 23.21 O ATOM 376 CB GLU A 24 -0.775 -6.447 11.755 1.00 34.24 C ATOM 377 CG GLU A 24 -0.409 -7.671 10.920 1.00 15.41 C ATOM 378 CD GLU A 24 -1.154 -8.927 11.350 1.00 70.21 C ATOM 379 OE1 GLU A 24 -0.854 -9.455 12.440 1.00 4.22 O ATOM 380 OE2 GLU A 24 -2.046 -9.386 10.605 1.00 72.12 O ATOM 0 H GLU A 24 -2.144 -5.389 9.818 1.00 64.51 H new ATOM 0 HA GLU A 24 -2.804 -7.003 12.191 1.00 73.42 H new ATOM 0 HB2 GLU A 24 -0.243 -5.580 11.364 1.00 34.24 H new ATOM 0 HB3 GLU A 24 -0.428 -6.599 12.777 1.00 34.24 H new ATOM 0 HG2 GLU A 24 -0.626 -7.467 9.871 1.00 15.41 H new ATOM 0 HG3 GLU A 24 0.664 -7.848 10.995 1.00 15.41 H new ATOM 387 N ALA A 25 -2.290 -3.727 12.153 1.00 12.41 N ATOM 388 CA ALA A 25 -2.653 -2.480 12.847 1.00 2.31 C ATOM 389 C ALA A 25 -4.162 -2.398 13.142 1.00 62.42 C ATOM 390 O ALA A 25 -4.584 -1.717 14.076 1.00 62.44 O ATOM 391 CB ALA A 25 -2.210 -1.277 12.025 1.00 33.44 C ATOM 0 H ALA A 25 -1.826 -3.588 11.255 1.00 12.41 H new ATOM 0 HA ALA A 25 -2.135 -2.476 13.806 1.00 2.31 H new ATOM 0 HB1 ALA A 25 -2.483 -0.360 12.547 1.00 33.44 H new ATOM 0 HB2 ALA A 25 -1.129 -1.308 11.887 1.00 33.44 H new ATOM 0 HB3 ALA A 25 -2.700 -1.301 11.052 1.00 33.44 H new ATOM 397 N GLY A 26 -4.966 -3.100 12.341 1.00 11.44 N ATOM 398 CA GLY A 26 -6.413 -3.104 12.531 1.00 54.21 C ATOM 399 C GLY A 26 -7.073 -1.787 12.136 1.00 23.12 C ATOM 400 O GLY A 26 -7.928 -1.270 12.856 1.00 21.02 O ATOM 0 H GLY A 26 -4.640 -3.669 11.560 1.00 11.44 H new ATOM 0 HA2 GLY A 26 -6.848 -3.912 11.943 1.00 54.21 H new ATOM 0 HA3 GLY A 26 -6.635 -3.315 13.577 1.00 54.21 H new ATOM 404 N LEU A 27 -6.673 -1.243 10.987 1.00 52.42 N ATOM 405 CA LEU A 27 -7.206 0.038 10.497 1.00 60.21 C ATOM 406 C LEU A 27 -8.250 -0.163 9.386 1.00 14.44 C ATOM 407 O LEU A 27 -9.084 0.706 9.138 1.00 12.34 O ATOM 408 CB LEU A 27 -6.054 0.908 9.976 1.00 72.13 C ATOM 409 CG LEU A 27 -4.980 1.256 11.021 1.00 4.23 C ATOM 410 CD1 LEU A 27 -3.806 1.984 10.372 1.00 63.21 C ATOM 411 CD2 LEU A 27 -5.577 2.090 12.151 1.00 71.43 C ATOM 0 H LEU A 27 -5.979 -1.668 10.372 1.00 52.42 H new ATOM 0 HA LEU A 27 -7.702 0.535 11.331 1.00 60.21 H new ATOM 0 HB2 LEU A 27 -5.576 0.392 9.144 1.00 72.13 H new ATOM 0 HB3 LEU A 27 -6.469 1.835 9.580 1.00 72.13 H new ATOM 0 HG LEU A 27 -4.606 0.325 11.446 1.00 4.23 H new ATOM 0 HD11 LEU A 27 -3.060 2.220 11.131 1.00 63.21 H new ATOM 0 HD12 LEU A 27 -3.359 1.346 9.609 1.00 63.21 H new ATOM 0 HD13 LEU A 27 -4.160 2.907 9.912 1.00 63.21 H new ATOM 0 HD21 LEU A 27 -4.801 2.325 12.879 1.00 71.43 H new ATOM 0 HD22 LEU A 27 -5.985 3.015 11.744 1.00 71.43 H new ATOM 0 HD23 LEU A 27 -6.372 1.526 12.638 1.00 71.43 H new ATOM 423 N LEU A 28 -8.198 -1.312 8.722 1.00 54.44 N ATOM 424 CA LEU A 28 -9.115 -1.608 7.617 1.00 43.33 C ATOM 425 C LEU A 28 -10.353 -2.370 8.114 1.00 21.34 C ATOM 426 O LEU A 28 -10.264 -3.540 8.485 1.00 61.00 O ATOM 427 CB LEU A 28 -8.391 -2.422 6.532 1.00 3.05 C ATOM 428 CG LEU A 28 -7.167 -1.735 5.899 1.00 43.43 C ATOM 429 CD1 LEU A 28 -6.505 -2.648 4.867 1.00 21.52 C ATOM 430 CD2 LEU A 28 -7.563 -0.402 5.265 1.00 74.34 C ATOM 0 H LEU A 28 -7.532 -2.057 8.926 1.00 54.44 H new ATOM 0 HA LEU A 28 -9.449 -0.662 7.190 1.00 43.33 H new ATOM 0 HB2 LEU A 28 -8.071 -3.370 6.965 1.00 3.05 H new ATOM 0 HB3 LEU A 28 -9.104 -2.657 5.742 1.00 3.05 H new ATOM 0 HG LEU A 28 -6.444 -1.536 6.690 1.00 43.43 H new ATOM 0 HD11 LEU A 28 -5.643 -2.142 4.433 1.00 21.52 H new ATOM 0 HD12 LEU A 28 -6.179 -3.569 5.351 1.00 21.52 H new ATOM 0 HD13 LEU A 28 -7.220 -2.886 4.080 1.00 21.52 H new ATOM 0 HD21 LEU A 28 -6.683 0.067 4.824 1.00 74.34 H new ATOM 0 HD22 LEU A 28 -8.309 -0.575 4.490 1.00 74.34 H new ATOM 0 HD23 LEU A 28 -7.979 0.255 6.029 1.00 74.34 H new ATOM 442 N SER A 29 -11.501 -1.693 8.133 1.00 21.51 N ATOM 443 CA SER A 29 -12.765 -2.316 8.553 1.00 53.23 C ATOM 444 C SER A 29 -13.354 -3.183 7.431 1.00 41.01 C ATOM 445 O SER A 29 -13.004 -3.015 6.264 1.00 61.10 O ATOM 446 CB SER A 29 -13.780 -1.244 8.972 1.00 64.15 C ATOM 447 OG SER A 29 -13.287 -0.458 10.045 1.00 71.51 O ATOM 0 H SER A 29 -11.586 -0.713 7.863 1.00 21.51 H new ATOM 0 HA SER A 29 -12.552 -2.957 9.408 1.00 53.23 H new ATOM 0 HB2 SER A 29 -14.005 -0.601 8.121 1.00 64.15 H new ATOM 0 HB3 SER A 29 -14.715 -1.721 9.267 1.00 64.15 H new ATOM 0 HG SER A 29 -13.954 0.217 10.289 1.00 71.51 H new ATOM 453 N ASN A 30 -14.278 -4.081 7.790 1.00 3.15 N ATOM 454 CA ASN A 30 -14.831 -5.083 6.856 1.00 41.40 C ATOM 455 C ASN A 30 -15.201 -4.491 5.479 1.00 44.12 C ATOM 456 O ASN A 30 -14.883 -5.076 4.440 1.00 61.42 O ATOM 457 CB ASN A 30 -16.058 -5.752 7.490 1.00 72.40 C ATOM 458 CG ASN A 30 -16.639 -6.862 6.628 1.00 63.42 C ATOM 459 OD1 ASN A 30 -17.522 -6.638 5.807 1.00 42.43 O ATOM 460 ND2 ASN A 30 -16.144 -8.069 6.805 1.00 75.14 N ATOM 0 H ASN A 30 -14.666 -4.138 8.732 1.00 3.15 H new ATOM 0 HA ASN A 30 -14.048 -5.820 6.675 1.00 41.40 H new ATOM 0 HB2 ASN A 30 -15.781 -6.161 8.462 1.00 72.40 H new ATOM 0 HB3 ASN A 30 -16.825 -4.998 7.668 1.00 72.40 H new ATOM 0 HD21 ASN A 30 -16.495 -8.850 6.251 1.00 75.14 H new ATOM 0 HD22 ASN A 30 -15.410 -8.223 7.496 1.00 75.14 H new ATOM 467 N ALA A 31 -15.874 -3.340 5.476 1.00 52.12 N ATOM 468 CA ALA A 31 -16.260 -2.669 4.226 1.00 52.35 C ATOM 469 C ALA A 31 -15.031 -2.223 3.417 1.00 35.02 C ATOM 470 O ALA A 31 -14.892 -2.564 2.241 1.00 41.44 O ATOM 471 CB ALA A 31 -17.162 -1.475 4.531 1.00 50.42 C ATOM 0 H ALA A 31 -16.165 -2.850 6.322 1.00 52.12 H new ATOM 0 HA ALA A 31 -16.809 -3.386 3.616 1.00 52.35 H new ATOM 0 HB1 ALA A 31 -17.443 -0.984 3.599 1.00 50.42 H new ATOM 0 HB2 ALA A 31 -18.060 -1.819 5.045 1.00 50.42 H new ATOM 0 HB3 ALA A 31 -16.628 -0.769 5.167 1.00 50.42 H new ATOM 477 N GLN A 32 -14.132 -1.476 4.061 1.00 5.35 N ATOM 478 CA GLN A 32 -12.897 -1.016 3.410 1.00 21.23 C ATOM 479 C GLN A 32 -12.101 -2.206 2.854 1.00 50.41 C ATOM 480 O GLN A 32 -11.550 -2.144 1.753 1.00 64.34 O ATOM 481 CB GLN A 32 -12.021 -0.216 4.394 1.00 52.15 C ATOM 482 CG GLN A 32 -12.569 1.166 4.768 1.00 35.00 C ATOM 483 CD GLN A 32 -13.879 1.119 5.539 1.00 33.34 C ATOM 484 OE1 GLN A 32 -14.169 0.160 6.247 1.00 11.25 O ATOM 485 NE2 GLN A 32 -14.673 2.163 5.423 1.00 11.03 N ATOM 0 H GLN A 32 -14.233 -1.176 5.031 1.00 5.35 H new ATOM 0 HA GLN A 32 -13.180 -0.363 2.584 1.00 21.23 H new ATOM 0 HB2 GLN A 32 -11.897 -0.801 5.306 1.00 52.15 H new ATOM 0 HB3 GLN A 32 -11.030 -0.092 3.958 1.00 52.15 H new ATOM 0 HG2 GLN A 32 -11.825 1.692 5.366 1.00 35.00 H new ATOM 0 HG3 GLN A 32 -12.715 1.747 3.858 1.00 35.00 H new ATOM 0 HE21 GLN A 32 -14.403 2.945 4.826 1.00 11.03 H new ATOM 0 HE22 GLN A 32 -15.558 2.190 5.930 1.00 11.03 H new ATOM 494 N GLU A 33 -12.055 -3.292 3.625 1.00 41.22 N ATOM 495 CA GLU A 33 -11.424 -4.536 3.182 1.00 34.43 C ATOM 496 C GLU A 33 -12.100 -5.075 1.917 1.00 25.12 C ATOM 497 O GLU A 33 -11.440 -5.344 0.920 1.00 73.43 O ATOM 498 CB GLU A 33 -11.495 -5.603 4.280 1.00 44.12 C ATOM 499 CG GLU A 33 -10.761 -5.240 5.563 1.00 23.35 C ATOM 500 CD GLU A 33 -10.827 -6.358 6.589 1.00 42.22 C ATOM 501 OE1 GLU A 33 -10.098 -7.357 6.423 1.00 72.22 O ATOM 502 OE2 GLU A 33 -11.626 -6.260 7.545 1.00 4.21 O ATOM 0 H GLU A 33 -12.449 -3.336 4.565 1.00 41.22 H new ATOM 0 HA GLU A 33 -10.380 -4.311 2.962 1.00 34.43 H new ATOM 0 HB2 GLU A 33 -12.542 -5.793 4.517 1.00 44.12 H new ATOM 0 HB3 GLU A 33 -11.082 -6.534 3.891 1.00 44.12 H new ATOM 0 HG2 GLU A 33 -9.719 -5.018 5.334 1.00 23.35 H new ATOM 0 HG3 GLU A 33 -11.195 -4.334 5.985 1.00 23.35 H new ATOM 509 N GLU A 34 -13.421 -5.223 1.967 1.00 21.24 N ATOM 510 CA GLU A 34 -14.189 -5.765 0.839 1.00 22.14 C ATOM 511 C GLU A 34 -13.932 -4.971 -0.456 1.00 63.21 C ATOM 512 O GLU A 34 -13.790 -5.549 -1.537 1.00 63.15 O ATOM 513 CB GLU A 34 -15.685 -5.773 1.183 1.00 41.42 C ATOM 514 CG GLU A 34 -16.575 -6.306 0.067 1.00 33.23 C ATOM 515 CD GLU A 34 -18.011 -6.543 0.515 1.00 43.11 C ATOM 516 OE1 GLU A 34 -18.292 -7.626 1.077 1.00 13.25 O ATOM 517 OE2 GLU A 34 -18.862 -5.650 0.315 1.00 32.25 O ATOM 0 H GLU A 34 -13.988 -4.975 2.778 1.00 21.24 H new ATOM 0 HA GLU A 34 -13.858 -6.788 0.662 1.00 22.14 H new ATOM 0 HB2 GLU A 34 -15.839 -6.378 2.076 1.00 41.42 H new ATOM 0 HB3 GLU A 34 -15.996 -4.758 1.428 1.00 41.42 H new ATOM 0 HG2 GLU A 34 -16.571 -5.599 -0.763 1.00 33.23 H new ATOM 0 HG3 GLU A 34 -16.158 -7.241 -0.308 1.00 33.23 H new ATOM 524 N VAL A 35 -13.854 -3.648 -0.333 1.00 53.32 N ATOM 525 CA VAL A 35 -13.557 -2.777 -1.476 1.00 54.21 C ATOM 526 C VAL A 35 -12.089 -2.914 -1.932 1.00 30.32 C ATOM 527 O VAL A 35 -11.799 -2.997 -3.128 1.00 12.02 O ATOM 528 CB VAL A 35 -13.840 -1.293 -1.131 1.00 51.05 C ATOM 529 CG1 VAL A 35 -13.610 -0.394 -2.345 1.00 24.34 C ATOM 530 CG2 VAL A 35 -15.259 -1.122 -0.594 1.00 51.05 C ATOM 0 H VAL A 35 -13.992 -3.151 0.547 1.00 53.32 H new ATOM 0 HA VAL A 35 -14.209 -3.094 -2.290 1.00 54.21 H new ATOM 0 HB VAL A 35 -13.141 -0.991 -0.351 1.00 51.05 H new ATOM 0 HG11 VAL A 35 -13.816 0.642 -2.075 1.00 24.34 H new ATOM 0 HG12 VAL A 35 -12.575 -0.484 -2.674 1.00 24.34 H new ATOM 0 HG13 VAL A 35 -14.275 -0.697 -3.153 1.00 24.34 H new ATOM 0 HG21 VAL A 35 -15.435 -0.072 -0.359 1.00 51.05 H new ATOM 0 HG22 VAL A 35 -15.975 -1.450 -1.347 1.00 51.05 H new ATOM 0 HG23 VAL A 35 -15.381 -1.722 0.308 1.00 51.05 H new ATOM 540 N MET A 36 -11.161 -2.925 -0.973 1.00 71.23 N ATOM 541 CA MET A 36 -9.724 -2.980 -1.279 1.00 0.03 C ATOM 542 C MET A 36 -9.309 -4.353 -1.840 1.00 54.41 C ATOM 543 O MET A 36 -8.686 -4.434 -2.899 1.00 54.22 O ATOM 544 CB MET A 36 -8.915 -2.653 -0.017 1.00 33.22 C ATOM 545 CG MET A 36 -7.404 -2.658 -0.220 1.00 40.04 C ATOM 546 SD MET A 36 -6.505 -2.162 1.261 1.00 63.53 S ATOM 547 CE MET A 36 -7.067 -0.470 1.465 1.00 54.12 C ATOM 0 H MET A 36 -11.376 -2.897 0.024 1.00 71.23 H new ATOM 0 HA MET A 36 -9.515 -2.238 -2.050 1.00 0.03 H new ATOM 0 HB2 MET A 36 -9.217 -1.672 0.350 1.00 33.22 H new ATOM 0 HB3 MET A 36 -9.168 -3.375 0.759 1.00 33.22 H new ATOM 0 HG2 MET A 36 -7.084 -3.657 -0.517 1.00 40.04 H new ATOM 0 HG3 MET A 36 -7.149 -1.985 -1.038 1.00 40.04 H new ATOM 0 HE1 MET A 36 -6.422 0.044 2.178 1.00 54.12 H new ATOM 0 HE2 MET A 36 -7.029 0.044 0.505 1.00 54.12 H new ATOM 0 HE3 MET A 36 -8.092 -0.469 1.836 1.00 54.12 H new ATOM 557 N ASN A 37 -9.673 -5.419 -1.127 1.00 31.01 N ATOM 558 CA ASN A 37 -9.372 -6.798 -1.550 1.00 12.13 C ATOM 559 C ASN A 37 -9.886 -7.082 -2.971 1.00 30.21 C ATOM 560 O ASN A 37 -9.150 -7.580 -3.819 1.00 61.40 O ATOM 561 CB ASN A 37 -9.986 -7.810 -0.568 1.00 34.21 C ATOM 562 CG ASN A 37 -9.172 -7.972 0.705 1.00 13.11 C ATOM 563 OD1 ASN A 37 -8.358 -8.879 0.823 1.00 15.22 O ATOM 564 ND2 ASN A 37 -9.374 -7.098 1.665 1.00 35.35 N ATOM 0 H ASN A 37 -10.182 -5.358 -0.245 1.00 31.01 H new ATOM 0 HA ASN A 37 -8.287 -6.906 -1.552 1.00 12.13 H new ATOM 0 HB2 ASN A 37 -10.995 -7.490 -0.309 1.00 34.21 H new ATOM 0 HB3 ASN A 37 -10.075 -8.778 -1.061 1.00 34.21 H new ATOM 0 HD21 ASN A 37 -8.846 -7.165 2.535 1.00 35.35 H new ATOM 0 HD22 ASN A 37 -10.058 -6.352 1.540 1.00 35.35 H new ATOM 571 N GLY A 38 -11.155 -6.763 -3.219 1.00 70.12 N ATOM 572 CA GLY A 38 -11.745 -6.992 -4.536 1.00 0.22 C ATOM 573 C GLY A 38 -11.003 -6.285 -5.670 1.00 42.51 C ATOM 574 O GLY A 38 -10.871 -6.832 -6.768 1.00 32.44 O ATOM 0 H GLY A 38 -11.788 -6.350 -2.534 1.00 70.12 H new ATOM 0 HA2 GLY A 38 -11.762 -8.063 -4.736 1.00 0.22 H new ATOM 0 HA3 GLY A 38 -12.781 -6.654 -4.525 1.00 0.22 H new ATOM 578 N ARG A 39 -10.526 -5.069 -5.413 1.00 10.12 N ATOM 579 CA ARG A 39 -9.754 -4.316 -6.411 1.00 4.32 C ATOM 580 C ARG A 39 -8.352 -4.915 -6.603 1.00 3.04 C ATOM 581 O ARG A 39 -7.930 -5.161 -7.731 1.00 43.22 O ATOM 582 CB ARG A 39 -9.660 -2.836 -6.014 1.00 12.13 C ATOM 583 CG ARG A 39 -10.948 -2.051 -6.263 1.00 45.12 C ATOM 584 CD ARG A 39 -10.853 -0.623 -5.738 1.00 61.13 C ATOM 585 NE ARG A 39 -10.779 -0.587 -4.278 1.00 65.31 N ATOM 586 CZ ARG A 39 -10.323 0.418 -3.584 1.00 53.41 C ATOM 587 NH1 ARG A 39 -9.828 1.460 -4.170 1.00 63.01 N ATOM 588 NH2 ARG A 39 -10.355 0.372 -2.295 1.00 40.21 N ATOM 0 H ARG A 39 -10.657 -4.582 -4.527 1.00 10.12 H new ATOM 0 HA ARG A 39 -10.279 -4.388 -7.363 1.00 4.32 H new ATOM 0 HB2 ARG A 39 -9.402 -2.768 -4.957 1.00 12.13 H new ATOM 0 HB3 ARG A 39 -8.847 -2.370 -6.571 1.00 12.13 H new ATOM 0 HG2 ARG A 39 -11.161 -2.032 -7.332 1.00 45.12 H new ATOM 0 HG3 ARG A 39 -11.783 -2.560 -5.781 1.00 45.12 H new ATOM 0 HD2 ARG A 39 -9.972 -0.138 -6.159 1.00 61.13 H new ATOM 0 HD3 ARG A 39 -11.720 -0.054 -6.073 1.00 61.13 H new ATOM 0 HE ARG A 39 -11.107 -1.406 -3.766 1.00 65.31 H new ATOM 0 HH11 ARG A 39 -9.791 1.503 -5.188 1.00 63.01 H new ATOM 0 HH12 ARG A 39 -9.475 2.239 -3.614 1.00 63.01 H new ATOM 0 HH21 ARG A 39 -10.736 -0.448 -1.823 1.00 40.21 H new ATOM 0 HH22 ARG A 39 -9.999 1.156 -1.748 1.00 40.21 H new ATOM 602 N LEU A 40 -7.639 -5.156 -5.502 1.00 11.32 N ATOM 603 CA LEU A 40 -6.302 -5.763 -5.562 1.00 23.25 C ATOM 604 C LEU A 40 -6.344 -7.120 -6.280 1.00 30.14 C ATOM 605 O LEU A 40 -5.593 -7.361 -7.227 1.00 42.42 O ATOM 606 CB LEU A 40 -5.728 -5.935 -4.148 1.00 42.30 C ATOM 607 CG LEU A 40 -5.440 -4.629 -3.388 1.00 3.15 C ATOM 608 CD1 LEU A 40 -4.900 -4.922 -1.990 1.00 11.44 C ATOM 609 CD2 LEU A 40 -4.462 -3.759 -4.171 1.00 44.12 C ATOM 0 H LEU A 40 -7.961 -4.942 -4.558 1.00 11.32 H new ATOM 0 HA LEU A 40 -5.655 -5.094 -6.129 1.00 23.25 H new ATOM 0 HB2 LEU A 40 -6.427 -6.530 -3.561 1.00 42.30 H new ATOM 0 HB3 LEU A 40 -4.802 -6.507 -4.217 1.00 42.30 H new ATOM 0 HG LEU A 40 -6.377 -4.083 -3.281 1.00 3.15 H new ATOM 0 HD11 LEU A 40 -4.704 -3.983 -1.472 1.00 11.44 H new ATOM 0 HD12 LEU A 40 -5.635 -5.499 -1.429 1.00 11.44 H new ATOM 0 HD13 LEU A 40 -3.975 -5.493 -2.070 1.00 11.44 H new ATOM 0 HD21 LEU A 40 -4.270 -2.839 -3.618 1.00 44.12 H new ATOM 0 HD22 LEU A 40 -3.526 -4.300 -4.312 1.00 44.12 H new ATOM 0 HD23 LEU A 40 -4.890 -3.515 -5.143 1.00 44.12 H new ATOM 621 N ARG A 41 -7.234 -7.996 -5.822 1.00 60.11 N ATOM 622 CA ARG A 41 -7.441 -9.307 -6.448 1.00 71.02 C ATOM 623 C ARG A 41 -7.752 -9.169 -7.950 1.00 63.23 C ATOM 624 O ARG A 41 -7.241 -9.933 -8.776 1.00 71.04 O ATOM 625 CB ARG A 41 -8.577 -10.047 -5.724 1.00 25.31 C ATOM 626 CG ARG A 41 -8.903 -11.423 -6.299 1.00 30.10 C ATOM 627 CD ARG A 41 -9.869 -12.194 -5.403 1.00 11.24 C ATOM 628 NE ARG A 41 -10.981 -11.360 -4.943 1.00 32.21 N ATOM 629 CZ ARG A 41 -12.132 -11.257 -5.548 1.00 10.44 C ATOM 630 NH1 ARG A 41 -12.370 -11.910 -6.640 1.00 21.12 N ATOM 631 NH2 ARG A 41 -13.049 -10.500 -5.042 1.00 51.31 N ATOM 0 H ARG A 41 -7.830 -7.823 -5.013 1.00 60.11 H new ATOM 0 HA ARG A 41 -6.521 -9.884 -6.359 1.00 71.02 H new ATOM 0 HB2 ARG A 41 -8.308 -10.160 -4.674 1.00 25.31 H new ATOM 0 HB3 ARG A 41 -9.475 -9.431 -5.759 1.00 25.31 H new ATOM 0 HG2 ARG A 41 -9.339 -11.309 -7.291 1.00 30.10 H new ATOM 0 HG3 ARG A 41 -7.983 -11.995 -6.419 1.00 30.10 H new ATOM 0 HD2 ARG A 41 -10.262 -13.052 -5.949 1.00 11.24 H new ATOM 0 HD3 ARG A 41 -9.329 -12.585 -4.541 1.00 11.24 H new ATOM 0 HE ARG A 41 -10.846 -10.821 -4.088 1.00 32.21 H new ATOM 0 HH11 ARG A 41 -11.653 -12.515 -7.039 1.00 21.12 H new ATOM 0 HH12 ARG A 41 -13.275 -11.819 -7.102 1.00 21.12 H new ATOM 0 HH21 ARG A 41 -12.869 -9.990 -4.177 1.00 51.31 H new ATOM 0 HH22 ARG A 41 -13.952 -10.413 -5.507 1.00 51.31 H new ATOM 645 N ALA A 42 -8.582 -8.185 -8.298 1.00 12.42 N ATOM 646 CA ALA A 42 -8.899 -7.897 -9.702 1.00 63.10 C ATOM 647 C ALA A 42 -7.639 -7.508 -10.493 1.00 24.15 C ATOM 648 O ALA A 42 -7.422 -7.979 -11.606 1.00 52.33 O ATOM 649 CB ALA A 42 -9.951 -6.794 -9.796 1.00 4.24 C ATOM 0 H ALA A 42 -9.048 -7.573 -7.629 1.00 12.42 H new ATOM 0 HA ALA A 42 -9.303 -8.806 -10.146 1.00 63.10 H new ATOM 0 HB1 ALA A 42 -10.175 -6.593 -10.844 1.00 4.24 H new ATOM 0 HB2 ALA A 42 -10.860 -7.114 -9.286 1.00 4.24 H new ATOM 0 HB3 ALA A 42 -9.571 -5.887 -9.326 1.00 4.24 H new ATOM 655 N ILE A 43 -6.803 -6.656 -9.904 1.00 61.12 N ATOM 656 CA ILE A 43 -5.545 -6.245 -10.537 1.00 0.45 C ATOM 657 C ILE A 43 -4.585 -7.437 -10.685 1.00 15.04 C ATOM 658 O ILE A 43 -3.952 -7.616 -11.727 1.00 5.41 O ATOM 659 CB ILE A 43 -4.849 -5.124 -9.724 1.00 42.04 C ATOM 660 CG1 ILE A 43 -5.772 -3.897 -9.590 1.00 43.21 C ATOM 661 CG2 ILE A 43 -3.523 -4.732 -10.376 1.00 12.21 C ATOM 662 CD1 ILE A 43 -5.204 -2.796 -8.714 1.00 25.14 C ATOM 0 H ILE A 43 -6.971 -6.235 -8.990 1.00 61.12 H new ATOM 0 HA ILE A 43 -5.794 -5.863 -11.527 1.00 0.45 H new ATOM 0 HB ILE A 43 -4.640 -5.505 -8.724 1.00 42.04 H new ATOM 0 HG12 ILE A 43 -5.970 -3.493 -10.583 1.00 43.21 H new ATOM 0 HG13 ILE A 43 -6.730 -4.217 -9.180 1.00 43.21 H new ATOM 0 HG21 ILE A 43 -3.049 -3.944 -9.791 1.00 12.21 H new ATOM 0 HG22 ILE A 43 -2.866 -5.601 -10.414 1.00 12.21 H new ATOM 0 HG23 ILE A 43 -3.708 -4.372 -11.388 1.00 12.21 H new ATOM 0 HD11 ILE A 43 -5.910 -1.967 -8.668 1.00 25.14 H new ATOM 0 HD12 ILE A 43 -5.032 -3.182 -7.709 1.00 25.14 H new ATOM 0 HD13 ILE A 43 -4.261 -2.447 -9.134 1.00 25.14 H new ATOM 674 N ARG A 44 -4.499 -8.254 -9.639 1.00 63.01 N ATOM 675 CA ARG A 44 -3.630 -9.436 -9.633 1.00 54.10 C ATOM 676 C ARG A 44 -4.031 -10.437 -10.731 1.00 31.31 C ATOM 677 O ARG A 44 -3.179 -11.050 -11.367 1.00 21.32 O ATOM 678 CB ARG A 44 -3.693 -10.120 -8.259 1.00 3.41 C ATOM 679 CG ARG A 44 -2.746 -11.310 -8.111 1.00 2.32 C ATOM 680 CD ARG A 44 -1.284 -10.878 -8.123 1.00 20.45 C ATOM 681 NE ARG A 44 -0.379 -12.021 -8.206 1.00 64.05 N ATOM 682 CZ ARG A 44 0.569 -12.286 -7.348 1.00 71.53 C ATOM 683 NH1 ARG A 44 0.741 -11.547 -6.301 1.00 71.05 N ATOM 684 NH2 ARG A 44 1.345 -13.298 -7.538 1.00 44.41 N ATOM 0 H ARG A 44 -5.024 -8.120 -8.775 1.00 63.01 H new ATOM 0 HA ARG A 44 -2.611 -9.105 -9.835 1.00 54.10 H new ATOM 0 HB2 ARG A 44 -3.460 -9.385 -7.488 1.00 3.41 H new ATOM 0 HB3 ARG A 44 -4.714 -10.457 -8.079 1.00 3.41 H new ATOM 0 HG2 ARG A 44 -2.962 -11.833 -7.179 1.00 2.32 H new ATOM 0 HG3 ARG A 44 -2.922 -12.017 -8.921 1.00 2.32 H new ATOM 0 HD2 ARG A 44 -1.109 -10.214 -8.969 1.00 20.45 H new ATOM 0 HD3 ARG A 44 -1.067 -10.308 -7.220 1.00 20.45 H new ATOM 0 HE ARG A 44 -0.496 -12.660 -8.993 1.00 64.05 H new ATOM 0 HH11 ARG A 44 0.132 -10.745 -6.137 1.00 71.05 H new ATOM 0 HH12 ARG A 44 1.486 -11.766 -5.639 1.00 71.05 H new ATOM 0 HH21 ARG A 44 1.218 -13.891 -8.358 1.00 44.41 H new ATOM 0 HH22 ARG A 44 2.086 -13.506 -6.868 1.00 44.41 H new ATOM 698 N SER A 45 -5.335 -10.594 -10.944 1.00 14.01 N ATOM 699 CA SER A 45 -5.852 -11.536 -11.950 1.00 72.01 C ATOM 700 C SER A 45 -5.866 -10.928 -13.365 1.00 10.21 C ATOM 701 O SER A 45 -5.515 -11.591 -14.342 1.00 53.11 O ATOM 702 CB SER A 45 -7.269 -11.986 -11.572 1.00 72.42 C ATOM 703 OG SER A 45 -7.822 -12.838 -12.565 1.00 71.32 O ATOM 0 H SER A 45 -6.058 -10.084 -10.437 1.00 14.01 H new ATOM 0 HA SER A 45 -5.179 -12.394 -11.963 1.00 72.01 H new ATOM 0 HB2 SER A 45 -7.244 -12.507 -10.615 1.00 72.42 H new ATOM 0 HB3 SER A 45 -7.908 -11.112 -11.442 1.00 72.42 H new ATOM 0 HG SER A 45 -8.724 -13.110 -12.297 1.00 71.32 H new ATOM 709 N SER A 46 -6.276 -9.667 -13.467 1.00 10.20 N ATOM 710 CA SER A 46 -6.393 -8.975 -14.764 1.00 13.44 C ATOM 711 C SER A 46 -5.045 -8.419 -15.244 1.00 35.22 C ATOM 712 O SER A 46 -4.522 -8.825 -16.285 1.00 10.24 O ATOM 713 CB SER A 46 -7.406 -7.825 -14.656 1.00 60.00 C ATOM 714 OG SER A 46 -7.470 -7.063 -15.852 1.00 74.02 O ATOM 0 H SER A 46 -6.536 -9.093 -12.665 1.00 10.20 H new ATOM 0 HA SER A 46 -6.734 -9.709 -15.493 1.00 13.44 H new ATOM 0 HB2 SER A 46 -8.392 -8.230 -14.430 1.00 60.00 H new ATOM 0 HB3 SER A 46 -7.130 -7.175 -13.826 1.00 60.00 H new ATOM 0 HG SER A 46 -8.125 -6.342 -15.746 1.00 74.02 H new ATOM 720 N HIS A 47 -4.484 -7.494 -14.469 1.00 14.12 N ATOM 721 CA HIS A 47 -3.237 -6.811 -14.842 1.00 3.33 C ATOM 722 C HIS A 47 -1.999 -7.647 -14.472 1.00 61.33 C ATOM 723 O HIS A 47 -0.887 -7.360 -14.924 1.00 20.35 O ATOM 724 CB HIS A 47 -3.171 -5.442 -14.150 1.00 21.44 C ATOM 725 CG HIS A 47 -4.366 -4.577 -14.421 1.00 20.13 C ATOM 726 ND1 HIS A 47 -4.329 -3.576 -15.356 1.00 4.12 N ATOM 727 CD2 HIS A 47 -5.601 -4.609 -13.861 1.00 33.23 C ATOM 728 CE1 HIS A 47 -5.528 -3.027 -15.351 1.00 35.11 C ATOM 729 NE2 HIS A 47 -6.334 -3.617 -14.461 1.00 32.22 N ATOM 0 H HIS A 47 -4.871 -7.196 -13.574 1.00 14.12 H new ATOM 0 HA HIS A 47 -3.236 -6.678 -15.924 1.00 3.33 H new ATOM 0 HB2 HIS A 47 -3.077 -5.591 -13.074 1.00 21.44 H new ATOM 0 HB3 HIS A 47 -2.272 -4.920 -14.479 1.00 21.44 H new ATOM 0 HD2 HIS A 47 -5.942 -5.285 -13.091 1.00 33.23 H new ATOM 0 HE1 HIS A 47 -5.822 -2.204 -15.986 1.00 35.11 H new ATOM 0 HE2 HIS A 47 -7.306 -3.376 -14.266 1.00 32.22 H new ATOM 737 N ALA A 48 -2.205 -8.669 -13.636 1.00 43.23 N ATOM 738 CA ALA A 48 -1.122 -9.551 -13.172 1.00 72.34 C ATOM 739 C ALA A 48 -0.099 -8.795 -12.307 1.00 11.23 C ATOM 740 O ALA A 48 1.017 -9.268 -12.083 1.00 33.32 O ATOM 741 CB ALA A 48 -0.435 -10.240 -14.353 1.00 4.52 C ATOM 0 H ALA A 48 -3.122 -8.910 -13.261 1.00 43.23 H new ATOM 0 HA ALA A 48 -1.575 -10.318 -12.544 1.00 72.34 H new ATOM 0 HB1 ALA A 48 0.362 -10.886 -13.984 1.00 4.52 H new ATOM 0 HB2 ALA A 48 -1.164 -10.838 -14.899 1.00 4.52 H new ATOM 0 HB3 ALA A 48 -0.012 -9.487 -15.018 1.00 4.52 H new ATOM 747 N VAL A 49 -0.491 -7.622 -11.815 1.00 15.42 N ATOM 748 CA VAL A 49 0.385 -6.798 -10.975 1.00 24.11 C ATOM 749 C VAL A 49 0.267 -7.187 -9.495 1.00 10.10 C ATOM 750 O VAL A 49 -0.834 -7.286 -8.947 1.00 15.51 O ATOM 751 CB VAL A 49 0.066 -5.291 -11.140 1.00 2.42 C ATOM 752 CG1 VAL A 49 0.924 -4.437 -10.203 1.00 44.42 C ATOM 753 CG2 VAL A 49 0.256 -4.853 -12.593 1.00 34.24 C ATOM 0 H VAL A 49 -1.412 -7.217 -11.982 1.00 15.42 H new ATOM 0 HA VAL A 49 1.407 -6.981 -11.306 1.00 24.11 H new ATOM 0 HB VAL A 49 -0.979 -5.140 -10.868 1.00 2.42 H new ATOM 0 HG11 VAL A 49 0.677 -3.384 -10.342 1.00 44.42 H new ATOM 0 HG12 VAL A 49 0.728 -4.722 -9.169 1.00 44.42 H new ATOM 0 HG13 VAL A 49 1.978 -4.595 -10.430 1.00 44.42 H new ATOM 0 HG21 VAL A 49 0.027 -3.791 -12.686 1.00 34.24 H new ATOM 0 HG22 VAL A 49 1.289 -5.029 -12.894 1.00 34.24 H new ATOM 0 HG23 VAL A 49 -0.412 -5.426 -13.236 1.00 34.24 H new ATOM 763 N GLU A 50 1.410 -7.407 -8.856 1.00 5.24 N ATOM 764 CA GLU A 50 1.456 -7.775 -7.441 1.00 24.43 C ATOM 765 C GLU A 50 1.372 -6.526 -6.554 1.00 64.53 C ATOM 766 O GLU A 50 2.370 -5.858 -6.305 1.00 63.04 O ATOM 767 CB GLU A 50 2.750 -8.547 -7.158 1.00 33.10 C ATOM 768 CG GLU A 50 2.899 -9.799 -8.015 1.00 10.01 C ATOM 769 CD GLU A 50 4.310 -10.368 -8.006 1.00 52.24 C ATOM 770 OE1 GLU A 50 4.625 -11.170 -7.102 1.00 54.02 O ATOM 771 OE2 GLU A 50 5.099 -10.019 -8.909 1.00 23.41 O ATOM 0 H GLU A 50 2.327 -7.337 -9.298 1.00 5.24 H new ATOM 0 HA GLU A 50 0.600 -8.410 -7.210 1.00 24.43 H new ATOM 0 HB2 GLU A 50 3.603 -7.891 -7.332 1.00 33.10 H new ATOM 0 HB3 GLU A 50 2.775 -8.829 -6.105 1.00 33.10 H new ATOM 0 HG2 GLU A 50 2.205 -10.560 -7.658 1.00 10.01 H new ATOM 0 HG3 GLU A 50 2.615 -9.565 -9.041 1.00 10.01 H new ATOM 778 N PHE A 51 0.167 -6.216 -6.092 1.00 32.32 N ATOM 779 CA PHE A 51 -0.077 -5.009 -5.294 1.00 70.51 C ATOM 780 C PHE A 51 -0.612 -5.383 -3.901 1.00 64.02 C ATOM 781 O PHE A 51 -1.787 -5.715 -3.744 1.00 64.30 O ATOM 782 CB PHE A 51 -1.070 -4.101 -6.043 1.00 4.30 C ATOM 783 CG PHE A 51 -1.200 -2.691 -5.508 1.00 14.42 C ATOM 784 CD1 PHE A 51 -0.352 -2.202 -4.520 1.00 40.11 C ATOM 785 CD2 PHE A 51 -2.181 -1.849 -6.013 1.00 3.05 C ATOM 786 CE1 PHE A 51 -0.485 -0.906 -4.053 1.00 1.13 C ATOM 787 CE2 PHE A 51 -2.314 -0.556 -5.551 1.00 31.10 C ATOM 788 CZ PHE A 51 -1.467 -0.083 -4.571 1.00 50.21 C ATOM 0 H PHE A 51 -0.664 -6.784 -6.255 1.00 32.32 H new ATOM 0 HA PHE A 51 0.859 -4.469 -5.153 1.00 70.51 H new ATOM 0 HB2 PHE A 51 -0.767 -4.047 -7.089 1.00 4.30 H new ATOM 0 HB3 PHE A 51 -2.053 -4.571 -6.020 1.00 4.30 H new ATOM 0 HD1 PHE A 51 0.418 -2.840 -4.113 1.00 40.11 H new ATOM 0 HD2 PHE A 51 -2.850 -2.212 -6.779 1.00 3.05 H new ATOM 0 HE1 PHE A 51 0.178 -0.538 -3.284 1.00 1.13 H new ATOM 0 HE2 PHE A 51 -3.082 0.086 -5.957 1.00 31.10 H new ATOM 0 HZ PHE A 51 -1.571 0.929 -4.209 1.00 50.21 H new ATOM 798 N ALA A 52 0.263 -5.343 -2.896 1.00 61.45 N ATOM 799 CA ALA A 52 -0.092 -5.770 -1.534 1.00 51.31 C ATOM 800 C ALA A 52 -0.090 -4.600 -0.536 1.00 62.42 C ATOM 801 O ALA A 52 0.838 -3.792 -0.511 1.00 4.51 O ATOM 802 CB ALA A 52 0.867 -6.860 -1.066 1.00 35.14 C ATOM 0 H ALA A 52 1.225 -5.019 -2.995 1.00 61.45 H new ATOM 0 HA ALA A 52 -1.108 -6.163 -1.569 1.00 51.31 H new ATOM 0 HB1 ALA A 52 0.599 -7.172 -0.057 1.00 35.14 H new ATOM 0 HB2 ALA A 52 0.803 -7.715 -1.739 1.00 35.14 H new ATOM 0 HB3 ALA A 52 1.886 -6.473 -1.067 1.00 35.14 H new ATOM 808 N VAL A 53 -1.136 -4.523 0.287 1.00 44.31 N ATOM 809 CA VAL A 53 -1.247 -3.485 1.319 1.00 23.04 C ATOM 810 C VAL A 53 -1.069 -4.077 2.730 1.00 3.43 C ATOM 811 O VAL A 53 -1.897 -4.858 3.201 1.00 13.54 O ATOM 812 CB VAL A 53 -2.612 -2.755 1.237 1.00 2.23 C ATOM 813 CG1 VAL A 53 -2.709 -1.656 2.296 1.00 12.24 C ATOM 814 CG2 VAL A 53 -2.835 -2.180 -0.161 1.00 43.41 C ATOM 0 H VAL A 53 -1.924 -5.170 0.260 1.00 44.31 H new ATOM 0 HA VAL A 53 -0.449 -2.766 1.134 1.00 23.04 H new ATOM 0 HB VAL A 53 -3.397 -3.485 1.435 1.00 2.23 H new ATOM 0 HG11 VAL A 53 -3.676 -1.159 2.217 1.00 12.24 H new ATOM 0 HG12 VAL A 53 -2.607 -2.096 3.288 1.00 12.24 H new ATOM 0 HG13 VAL A 53 -1.913 -0.928 2.139 1.00 12.24 H new ATOM 0 HG21 VAL A 53 -3.799 -1.672 -0.196 1.00 43.41 H new ATOM 0 HG22 VAL A 53 -2.042 -1.469 -0.393 1.00 43.41 H new ATOM 0 HG23 VAL A 53 -2.824 -2.988 -0.893 1.00 43.41 H new ATOM 824 N VAL A 54 0.024 -3.708 3.392 1.00 12.25 N ATOM 825 CA VAL A 54 0.319 -4.178 4.752 1.00 71.13 C ATOM 826 C VAL A 54 0.159 -3.043 5.777 1.00 24.23 C ATOM 827 O VAL A 54 0.639 -1.932 5.564 1.00 23.02 O ATOM 828 CB VAL A 54 1.761 -4.742 4.846 1.00 11.12 C ATOM 829 CG1 VAL A 54 2.070 -5.244 6.257 1.00 11.14 C ATOM 830 CG2 VAL A 54 1.975 -5.849 3.814 1.00 72.02 C ATOM 0 H VAL A 54 0.729 -3.079 3.008 1.00 12.25 H new ATOM 0 HA VAL A 54 -0.394 -4.971 4.979 1.00 71.13 H new ATOM 0 HB VAL A 54 2.454 -3.930 4.626 1.00 11.12 H new ATOM 0 HG11 VAL A 54 3.088 -5.633 6.290 1.00 11.14 H new ATOM 0 HG12 VAL A 54 1.973 -4.421 6.965 1.00 11.14 H new ATOM 0 HG13 VAL A 54 1.370 -6.036 6.523 1.00 11.14 H new ATOM 0 HG21 VAL A 54 2.992 -6.231 3.896 1.00 72.02 H new ATOM 0 HG22 VAL A 54 1.268 -6.658 3.996 1.00 72.02 H new ATOM 0 HG23 VAL A 54 1.818 -5.448 2.813 1.00 72.02 H new ATOM 840 N THR A 55 -0.511 -3.327 6.891 1.00 24.10 N ATOM 841 CA THR A 55 -0.722 -2.320 7.944 1.00 41.21 C ATOM 842 C THR A 55 -0.105 -2.762 9.274 1.00 12.21 C ATOM 843 O THR A 55 -0.457 -3.811 9.817 1.00 61.34 O ATOM 844 CB THR A 55 -2.229 -2.033 8.169 1.00 23.03 C ATOM 845 OG1 THR A 55 -2.908 -3.223 8.609 1.00 24.43 O ATOM 846 CG2 THR A 55 -2.882 -1.520 6.892 1.00 34.34 C ATOM 0 H THR A 55 -0.918 -4.240 7.094 1.00 24.10 H new ATOM 0 HA THR A 55 -0.230 -1.410 7.599 1.00 41.21 H new ATOM 0 HB THR A 55 -2.310 -1.266 8.939 1.00 23.03 H new ATOM 0 HG1 THR A 55 -3.851 -3.018 8.779 1.00 24.43 H new ATOM 0 HG21 THR A 55 -3.939 -1.326 7.076 1.00 34.34 H new ATOM 0 HG22 THR A 55 -2.393 -0.598 6.579 1.00 34.34 H new ATOM 0 HG23 THR A 55 -2.782 -2.269 6.106 1.00 34.34 H new ATOM 854 N LEU A 56 0.802 -1.947 9.805 1.00 32.10 N ATOM 855 CA LEU A 56 1.470 -2.239 11.080 1.00 15.23 C ATOM 856 C LEU A 56 1.368 -1.043 12.043 1.00 24.11 C ATOM 857 O LEU A 56 1.473 0.110 11.620 1.00 71.20 O ATOM 858 CB LEU A 56 2.954 -2.570 10.846 1.00 45.44 C ATOM 859 CG LEU A 56 3.244 -3.760 9.914 1.00 65.54 C ATOM 860 CD1 LEU A 56 4.744 -3.882 9.647 1.00 54.42 C ATOM 861 CD2 LEU A 56 2.710 -5.056 10.511 1.00 41.33 C ATOM 0 H LEU A 56 1.096 -1.072 9.372 1.00 32.10 H new ATOM 0 HA LEU A 56 0.969 -3.098 11.526 1.00 15.23 H new ATOM 0 HB2 LEU A 56 3.442 -1.686 10.436 1.00 45.44 H new ATOM 0 HB3 LEU A 56 3.417 -2.770 11.812 1.00 45.44 H new ATOM 0 HG LEU A 56 2.735 -3.579 8.967 1.00 65.54 H new ATOM 0 HD11 LEU A 56 4.928 -4.729 8.986 1.00 54.42 H new ATOM 0 HD12 LEU A 56 5.105 -2.968 9.175 1.00 54.42 H new ATOM 0 HD13 LEU A 56 5.270 -4.036 10.589 1.00 54.42 H new ATOM 0 HD21 LEU A 56 2.926 -5.884 9.836 1.00 41.33 H new ATOM 0 HD22 LEU A 56 3.189 -5.238 11.473 1.00 41.33 H new ATOM 0 HD23 LEU A 56 1.632 -4.975 10.652 1.00 41.33 H new ATOM 873 N PRO A 57 1.151 -1.292 13.351 1.00 20.42 N ATOM 874 CA PRO A 57 1.133 -0.217 14.357 1.00 12.44 C ATOM 875 C PRO A 57 2.482 0.523 14.438 1.00 11.30 C ATOM 876 O PRO A 57 2.525 1.751 14.443 1.00 43.20 O ATOM 877 CB PRO A 57 0.821 -0.952 15.672 1.00 75.20 C ATOM 878 CG PRO A 57 1.151 -2.383 15.410 1.00 4.22 C ATOM 879 CD PRO A 57 0.898 -2.615 13.946 1.00 54.12 C ATOM 0 HA PRO A 57 0.404 0.557 14.118 1.00 12.44 H new ATOM 0 HB2 PRO A 57 1.416 -0.555 16.495 1.00 75.20 H new ATOM 0 HB3 PRO A 57 -0.226 -0.834 15.950 1.00 75.20 H new ATOM 0 HG2 PRO A 57 2.190 -2.595 15.663 1.00 4.22 H new ATOM 0 HG3 PRO A 57 0.534 -3.042 16.020 1.00 4.22 H new ATOM 0 HD2 PRO A 57 1.564 -3.375 13.537 1.00 54.12 H new ATOM 0 HD3 PRO A 57 -0.122 -2.952 13.761 1.00 54.12 H new ATOM 887 N SER A 58 3.581 -0.229 14.495 1.00 10.21 N ATOM 888 CA SER A 58 4.927 0.363 14.496 1.00 32.13 C ATOM 889 C SER A 58 5.982 -0.640 14.023 1.00 12.22 C ATOM 890 O SER A 58 5.876 -1.839 14.281 1.00 61.04 O ATOM 891 CB SER A 58 5.306 0.876 15.892 1.00 50.13 C ATOM 892 OG SER A 58 6.600 1.466 15.882 1.00 3.02 O ATOM 0 H SER A 58 3.570 -1.248 14.541 1.00 10.21 H new ATOM 0 HA SER A 58 4.903 1.202 13.801 1.00 32.13 H new ATOM 0 HB2 SER A 58 4.571 1.608 16.227 1.00 50.13 H new ATOM 0 HB3 SER A 58 5.283 0.052 16.605 1.00 50.13 H new ATOM 0 HG SER A 58 6.820 1.787 16.781 1.00 3.02 H new ATOM 898 N ILE A 59 6.999 -0.141 13.327 1.00 14.33 N ATOM 899 CA ILE A 59 8.113 -0.976 12.857 1.00 44.05 C ATOM 900 C ILE A 59 9.349 -0.807 13.751 1.00 3.41 C ATOM 901 O ILE A 59 10.437 -1.300 13.438 1.00 71.01 O ATOM 902 CB ILE A 59 8.493 -0.630 11.397 1.00 1.33 C ATOM 903 CG1 ILE A 59 8.905 0.851 11.288 1.00 10.42 C ATOM 904 CG2 ILE A 59 7.333 -0.951 10.451 1.00 0.51 C ATOM 905 CD1 ILE A 59 9.275 1.281 9.886 1.00 10.01 C ATOM 0 H ILE A 59 7.080 0.843 13.072 1.00 14.33 H new ATOM 0 HA ILE A 59 7.777 -2.012 12.904 1.00 44.05 H new ATOM 0 HB ILE A 59 9.346 -1.242 11.102 1.00 1.33 H new ATOM 0 HG12 ILE A 59 8.084 1.474 11.644 1.00 10.42 H new ATOM 0 HG13 ILE A 59 9.753 1.032 11.949 1.00 10.42 H new ATOM 0 HG21 ILE A 59 7.617 -0.702 9.429 1.00 0.51 H new ATOM 0 HG22 ILE A 59 7.096 -2.013 10.513 1.00 0.51 H new ATOM 0 HG23 ILE A 59 6.458 -0.367 10.737 1.00 0.51 H new ATOM 0 HD11 ILE A 59 9.553 2.335 9.890 1.00 10.01 H new ATOM 0 HD12 ILE A 59 10.116 0.685 9.533 1.00 10.01 H new ATOM 0 HD13 ILE A 59 8.422 1.133 9.223 1.00 10.01 H new ATOM 917 N GLY A 60 9.170 -0.115 14.872 1.00 61.34 N ATOM 918 CA GLY A 60 10.272 0.129 15.790 1.00 31.15 C ATOM 919 C GLY A 60 11.264 1.168 15.279 1.00 1.21 C ATOM 920 O GLY A 60 10.870 2.229 14.793 1.00 3.33 O ATOM 0 H GLY A 60 8.277 0.284 15.163 1.00 61.34 H new ATOM 0 HA2 GLY A 60 9.871 0.460 16.748 1.00 31.15 H new ATOM 0 HA3 GLY A 60 10.799 -0.808 15.971 1.00 31.15 H new ATOM 924 N ASP A 61 12.554 0.861 15.387 1.00 74.55 N ATOM 925 CA ASP A 61 13.617 1.786 14.976 1.00 42.24 C ATOM 926 C ASP A 61 13.967 1.634 13.483 1.00 50.43 C ATOM 927 O ASP A 61 14.540 2.541 12.875 1.00 41.01 O ATOM 928 CB ASP A 61 14.865 1.545 15.834 1.00 32.43 C ATOM 929 CG ASP A 61 14.543 1.524 17.319 1.00 75.15 C ATOM 930 OD1 ASP A 61 14.457 2.607 17.938 1.00 64.40 O ATOM 931 OD2 ASP A 61 14.351 0.422 17.873 1.00 73.40 O ATOM 0 H ASP A 61 12.894 -0.026 15.758 1.00 74.55 H new ATOM 0 HA ASP A 61 13.253 2.803 15.124 1.00 42.24 H new ATOM 0 HB2 ASP A 61 15.323 0.597 15.549 1.00 32.43 H new ATOM 0 HB3 ASP A 61 15.598 2.326 15.634 1.00 32.43 H new ATOM 936 N ALA A 62 13.600 0.495 12.897 1.00 33.24 N ATOM 937 CA ALA A 62 13.953 0.176 11.506 1.00 32.20 C ATOM 938 C ALA A 62 13.382 1.197 10.502 1.00 72.22 C ATOM 939 O ALA A 62 12.281 1.721 10.690 1.00 44.12 O ATOM 940 CB ALA A 62 13.470 -1.231 11.159 1.00 2.51 C ATOM 0 H ALA A 62 13.055 -0.229 13.364 1.00 33.24 H new ATOM 0 HA ALA A 62 15.039 0.225 11.427 1.00 32.20 H new ATOM 0 HB1 ALA A 62 13.734 -1.462 10.127 1.00 2.51 H new ATOM 0 HB2 ALA A 62 13.943 -1.953 11.825 1.00 2.51 H new ATOM 0 HB3 ALA A 62 12.388 -1.284 11.277 1.00 2.51 H new ATOM 946 N PRO A 63 14.131 1.507 9.424 1.00 64.32 N ATOM 947 CA PRO A 63 13.659 2.414 8.366 1.00 53.41 C ATOM 948 C PRO A 63 12.631 1.737 7.436 1.00 73.24 C ATOM 949 O PRO A 63 12.883 0.663 6.890 1.00 13.33 O ATOM 950 CB PRO A 63 14.947 2.761 7.610 1.00 45.15 C ATOM 951 CG PRO A 63 15.823 1.565 7.790 1.00 74.20 C ATOM 952 CD PRO A 63 15.498 1.006 9.153 1.00 41.53 C ATOM 0 HA PRO A 63 13.139 3.286 8.762 1.00 53.41 H new ATOM 0 HB2 PRO A 63 14.748 2.952 6.555 1.00 45.15 H new ATOM 0 HB3 PRO A 63 15.414 3.659 8.014 1.00 45.15 H new ATOM 0 HG2 PRO A 63 15.637 0.825 7.011 1.00 74.20 H new ATOM 0 HG3 PRO A 63 16.876 1.840 7.723 1.00 74.20 H new ATOM 0 HD2 PRO A 63 15.533 -0.083 9.157 1.00 41.53 H new ATOM 0 HD3 PRO A 63 16.207 1.350 9.906 1.00 41.53 H new ATOM 960 N LEU A 64 11.476 2.379 7.248 1.00 53.33 N ATOM 961 CA LEU A 64 10.366 1.783 6.488 1.00 71.41 C ATOM 962 C LEU A 64 10.752 1.481 5.027 1.00 5.01 C ATOM 963 O LEU A 64 10.271 0.510 4.442 1.00 31.12 O ATOM 964 CB LEU A 64 9.136 2.701 6.539 1.00 50.23 C ATOM 965 CG LEU A 64 7.851 2.118 5.924 1.00 34.34 C ATOM 966 CD1 LEU A 64 7.473 0.796 6.591 1.00 72.53 C ATOM 967 CD2 LEU A 64 6.706 3.121 6.026 1.00 62.20 C ATOM 0 H LEU A 64 11.281 3.312 7.610 1.00 53.33 H new ATOM 0 HA LEU A 64 10.125 0.830 6.959 1.00 71.41 H new ATOM 0 HB2 LEU A 64 8.937 2.956 7.580 1.00 50.23 H new ATOM 0 HB3 LEU A 64 9.376 3.631 6.023 1.00 50.23 H new ATOM 0 HG LEU A 64 8.041 1.918 4.870 1.00 34.34 H new ATOM 0 HD11 LEU A 64 6.562 0.407 6.137 1.00 72.53 H new ATOM 0 HD12 LEU A 64 8.281 0.077 6.457 1.00 72.53 H new ATOM 0 HD13 LEU A 64 7.306 0.960 7.656 1.00 72.53 H new ATOM 0 HD21 LEU A 64 5.806 2.692 5.586 1.00 62.20 H new ATOM 0 HD22 LEU A 64 6.521 3.357 7.074 1.00 62.20 H new ATOM 0 HD23 LEU A 64 6.972 4.033 5.491 1.00 62.20 H new ATOM 979 N GLU A 65 11.628 2.305 4.448 1.00 12.01 N ATOM 980 CA GLU A 65 12.085 2.104 3.062 1.00 61.41 C ATOM 981 C GLU A 65 12.835 0.771 2.898 1.00 71.51 C ATOM 982 O GLU A 65 12.648 0.051 1.917 1.00 11.33 O ATOM 983 CB GLU A 65 12.991 3.264 2.631 1.00 4.03 C ATOM 984 CG GLU A 65 12.313 4.625 2.719 1.00 41.44 C ATOM 985 CD GLU A 65 13.239 5.769 2.352 1.00 72.32 C ATOM 986 OE1 GLU A 65 14.038 6.191 3.214 1.00 62.42 O ATOM 987 OE2 GLU A 65 13.167 6.256 1.204 1.00 4.24 O ATOM 0 H GLU A 65 12.037 3.116 4.912 1.00 12.01 H new ATOM 0 HA GLU A 65 11.201 2.074 2.425 1.00 61.41 H new ATOM 0 HB2 GLU A 65 13.884 3.270 3.256 1.00 4.03 H new ATOM 0 HB3 GLU A 65 13.321 3.096 1.606 1.00 4.03 H new ATOM 0 HG2 GLU A 65 11.447 4.638 2.057 1.00 41.44 H new ATOM 0 HG3 GLU A 65 11.941 4.776 3.733 1.00 41.44 H new ATOM 994 N ASP A 66 13.701 0.469 3.858 1.00 44.14 N ATOM 995 CA ASP A 66 14.437 -0.803 3.880 1.00 40.12 C ATOM 996 C ASP A 66 13.534 -1.951 4.360 1.00 33.21 C ATOM 997 O ASP A 66 13.671 -3.098 3.917 1.00 13.44 O ATOM 998 CB ASP A 66 15.664 -0.676 4.792 1.00 74.32 C ATOM 999 CG ASP A 66 16.642 0.372 4.290 1.00 32.51 C ATOM 1000 OD1 ASP A 66 16.290 1.572 4.303 1.00 74.02 O ATOM 1001 OD2 ASP A 66 17.756 0.002 3.861 1.00 31.30 O ATOM 0 H ASP A 66 13.916 1.088 4.639 1.00 44.14 H new ATOM 0 HA ASP A 66 14.765 -1.032 2.866 1.00 40.12 H new ATOM 0 HB2 ASP A 66 15.341 -0.416 5.800 1.00 74.32 H new ATOM 0 HB3 ASP A 66 16.168 -1.640 4.857 1.00 74.32 H new ATOM 1006 N PHE A 67 12.608 -1.629 5.264 1.00 63.25 N ATOM 1007 CA PHE A 67 11.652 -2.605 5.797 1.00 1.20 C ATOM 1008 C PHE A 67 10.806 -3.218 4.669 1.00 4.51 C ATOM 1009 O PHE A 67 10.723 -4.442 4.533 1.00 64.35 O ATOM 1010 CB PHE A 67 10.742 -1.926 6.837 1.00 34.44 C ATOM 1011 CG PHE A 67 9.815 -2.867 7.567 1.00 22.51 C ATOM 1012 CD1 PHE A 67 8.607 -3.257 7.001 1.00 22.11 C ATOM 1013 CD2 PHE A 67 10.149 -3.350 8.823 1.00 44.23 C ATOM 1014 CE1 PHE A 67 7.757 -4.110 7.674 1.00 23.43 C ATOM 1015 CE2 PHE A 67 9.301 -4.204 9.499 1.00 23.34 C ATOM 1016 CZ PHE A 67 8.103 -4.584 8.924 1.00 51.44 C ATOM 0 H PHE A 67 12.498 -0.690 5.647 1.00 63.25 H new ATOM 0 HA PHE A 67 12.209 -3.410 6.277 1.00 1.20 H new ATOM 0 HB2 PHE A 67 11.367 -1.412 7.568 1.00 34.44 H new ATOM 0 HB3 PHE A 67 10.145 -1.164 6.336 1.00 34.44 H new ATOM 0 HD1 PHE A 67 8.331 -2.888 6.024 1.00 22.11 H new ATOM 0 HD2 PHE A 67 11.083 -3.055 9.278 1.00 44.23 H new ATOM 0 HE1 PHE A 67 6.821 -4.407 7.224 1.00 23.43 H new ATOM 0 HE2 PHE A 67 9.573 -4.575 10.476 1.00 23.34 H new ATOM 0 HZ PHE A 67 7.438 -5.251 9.452 1.00 51.44 H new ATOM 1026 N THR A 68 10.189 -2.357 3.858 1.00 43.25 N ATOM 1027 CA THR A 68 9.358 -2.804 2.734 1.00 45.30 C ATOM 1028 C THR A 68 10.156 -3.653 1.742 1.00 42.15 C ATOM 1029 O THR A 68 9.666 -4.669 1.254 1.00 23.45 O ATOM 1030 CB THR A 68 8.725 -1.612 1.977 1.00 72.54 C ATOM 1031 OG1 THR A 68 9.736 -0.669 1.592 1.00 72.24 O ATOM 1032 CG2 THR A 68 7.684 -0.908 2.839 1.00 64.32 C ATOM 0 H THR A 68 10.248 -1.344 3.957 1.00 43.25 H new ATOM 0 HA THR A 68 8.565 -3.412 3.168 1.00 45.30 H new ATOM 0 HB THR A 68 8.237 -2.007 1.086 1.00 72.54 H new ATOM 0 HG1 THR A 68 10.049 -0.876 0.687 1.00 72.24 H new ATOM 0 HG21 THR A 68 7.255 -0.074 2.283 1.00 64.32 H new ATOM 0 HG22 THR A 68 6.895 -1.612 3.104 1.00 64.32 H new ATOM 0 HG23 THR A 68 8.157 -0.534 3.747 1.00 64.32 H new ATOM 1040 N LEU A 69 11.387 -3.236 1.453 1.00 62.54 N ATOM 1041 CA LEU A 69 12.268 -3.993 0.557 1.00 11.02 C ATOM 1042 C LEU A 69 12.476 -5.433 1.065 1.00 42.31 C ATOM 1043 O LEU A 69 12.323 -6.400 0.313 1.00 64.45 O ATOM 1044 CB LEU A 69 13.622 -3.278 0.421 1.00 34.04 C ATOM 1045 CG LEU A 69 14.613 -3.913 -0.574 1.00 4.32 C ATOM 1046 CD1 LEU A 69 14.028 -3.933 -1.985 1.00 23.23 C ATOM 1047 CD2 LEU A 69 15.947 -3.170 -0.551 1.00 11.55 C ATOM 0 H LEU A 69 11.799 -2.380 1.824 1.00 62.54 H new ATOM 0 HA LEU A 69 11.791 -4.047 -0.422 1.00 11.02 H new ATOM 0 HB2 LEU A 69 13.439 -2.247 0.117 1.00 34.04 H new ATOM 0 HB3 LEU A 69 14.094 -3.242 1.403 1.00 34.04 H new ATOM 0 HG LEU A 69 14.790 -4.944 -0.268 1.00 4.32 H new ATOM 0 HD11 LEU A 69 14.745 -4.386 -2.670 1.00 23.23 H new ATOM 0 HD12 LEU A 69 13.106 -4.515 -1.988 1.00 23.23 H new ATOM 0 HD13 LEU A 69 13.815 -2.913 -2.305 1.00 23.23 H new ATOM 0 HD21 LEU A 69 16.634 -3.633 -1.260 1.00 11.55 H new ATOM 0 HD22 LEU A 69 15.788 -2.128 -0.828 1.00 11.55 H new ATOM 0 HD23 LEU A 69 16.373 -3.218 0.451 1.00 11.55 H new ATOM 1059 N LYS A 70 12.813 -5.571 2.351 1.00 20.44 N ATOM 1060 CA LYS A 70 13.008 -6.894 2.964 1.00 23.24 C ATOM 1061 C LYS A 70 11.712 -7.726 2.936 1.00 21.54 C ATOM 1062 O LYS A 70 11.721 -8.902 2.561 1.00 54.45 O ATOM 1063 CB LYS A 70 13.498 -6.753 4.416 1.00 33.33 C ATOM 1064 CG LYS A 70 14.880 -6.116 4.551 1.00 60.31 C ATOM 1065 CD LYS A 70 15.351 -6.082 6.007 1.00 11.25 C ATOM 1066 CE LYS A 70 15.435 -7.483 6.608 1.00 1.42 C ATOM 1067 NZ LYS A 70 15.916 -7.464 8.013 1.00 71.14 N ATOM 0 H LYS A 70 12.957 -4.787 2.988 1.00 20.44 H new ATOM 0 HA LYS A 70 13.765 -7.414 2.377 1.00 23.24 H new ATOM 0 HB2 LYS A 70 12.778 -6.154 4.974 1.00 33.33 H new ATOM 0 HB3 LYS A 70 13.518 -7.740 4.878 1.00 33.33 H new ATOM 0 HG2 LYS A 70 15.598 -6.674 3.950 1.00 60.31 H new ATOM 0 HG3 LYS A 70 14.853 -5.101 4.154 1.00 60.31 H new ATOM 0 HD2 LYS A 70 16.329 -5.604 6.062 1.00 11.25 H new ATOM 0 HD3 LYS A 70 14.665 -5.474 6.597 1.00 11.25 H new ATOM 0 HE2 LYS A 70 14.452 -7.953 6.569 1.00 1.42 H new ATOM 0 HE3 LYS A 70 16.105 -8.095 6.005 1.00 1.42 H new ATOM 0 HZ1 LYS A 70 15.957 -8.437 8.379 1.00 71.14 H new ATOM 0 HZ2 LYS A 70 16.865 -7.040 8.049 1.00 71.14 H new ATOM 0 HZ3 LYS A 70 15.263 -6.902 8.596 1.00 71.14 H new ATOM 1081 N LEU A 71 10.603 -7.106 3.333 1.00 12.41 N ATOM 1082 CA LEU A 71 9.297 -7.778 3.360 1.00 70.13 C ATOM 1083 C LEU A 71 8.865 -8.225 1.951 1.00 21.42 C ATOM 1084 O LEU A 71 8.269 -9.287 1.776 1.00 33.31 O ATOM 1085 CB LEU A 71 8.244 -6.837 3.969 1.00 34.03 C ATOM 1086 CG LEU A 71 6.838 -7.437 4.153 1.00 4.41 C ATOM 1087 CD1 LEU A 71 6.875 -8.630 5.105 1.00 51.33 C ATOM 1088 CD2 LEU A 71 5.860 -6.372 4.651 1.00 65.12 C ATOM 0 H LEU A 71 10.579 -6.134 3.643 1.00 12.41 H new ATOM 0 HA LEU A 71 9.384 -8.672 3.977 1.00 70.13 H new ATOM 0 HB2 LEU A 71 8.604 -6.499 4.940 1.00 34.03 H new ATOM 0 HB3 LEU A 71 8.162 -5.954 3.335 1.00 34.03 H new ATOM 0 HG LEU A 71 6.490 -7.793 3.183 1.00 4.41 H new ATOM 0 HD11 LEU A 71 5.870 -9.036 5.219 1.00 51.33 H new ATOM 0 HD12 LEU A 71 7.533 -9.398 4.700 1.00 51.33 H new ATOM 0 HD13 LEU A 71 7.248 -8.308 6.077 1.00 51.33 H new ATOM 0 HD21 LEU A 71 4.872 -6.815 4.775 1.00 65.12 H new ATOM 0 HD22 LEU A 71 6.205 -5.980 5.608 1.00 65.12 H new ATOM 0 HD23 LEU A 71 5.805 -5.560 3.925 1.00 65.12 H new ATOM 1100 N ALA A 72 9.177 -7.408 0.951 1.00 23.22 N ATOM 1101 CA ALA A 72 8.853 -7.730 -0.442 1.00 55.10 C ATOM 1102 C ALA A 72 9.730 -8.867 -0.997 1.00 70.31 C ATOM 1103 O ALA A 72 9.253 -9.719 -1.752 1.00 72.34 O ATOM 1104 CB ALA A 72 8.983 -6.484 -1.310 1.00 73.41 C ATOM 0 H ALA A 72 9.655 -6.515 1.075 1.00 23.22 H new ATOM 0 HA ALA A 72 7.822 -8.082 -0.466 1.00 55.10 H new ATOM 0 HB1 ALA A 72 8.740 -6.733 -2.343 1.00 73.41 H new ATOM 0 HB2 ALA A 72 8.297 -5.717 -0.951 1.00 73.41 H new ATOM 0 HB3 ALA A 72 10.005 -6.109 -1.258 1.00 73.41 H new ATOM 1110 N ARG A 73 11.016 -8.878 -0.629 1.00 60.14 N ATOM 1111 CA ARG A 73 11.956 -9.898 -1.124 1.00 61.42 C ATOM 1112 C ARG A 73 11.551 -11.321 -0.705 1.00 4.23 C ATOM 1113 O ARG A 73 11.530 -12.230 -1.537 1.00 53.24 O ATOM 1114 CB ARG A 73 13.390 -9.600 -0.656 1.00 31.30 C ATOM 1115 CG ARG A 73 14.031 -8.400 -1.353 1.00 2.50 C ATOM 1116 CD ARG A 73 15.497 -8.224 -0.961 1.00 34.12 C ATOM 1117 NE ARG A 73 16.293 -9.416 -1.261 1.00 45.12 N ATOM 1118 CZ ARG A 73 17.348 -9.430 -2.036 1.00 53.11 C ATOM 1119 NH1 ARG A 73 17.730 -8.361 -2.658 1.00 43.35 N ATOM 1120 NH2 ARG A 73 18.010 -10.525 -2.202 1.00 24.43 N ATOM 0 H ARG A 73 11.431 -8.197 0.007 1.00 60.14 H new ATOM 0 HA ARG A 73 11.919 -9.851 -2.212 1.00 61.42 H new ATOM 0 HB2 ARG A 73 13.381 -9.421 0.419 1.00 31.30 H new ATOM 0 HB3 ARG A 73 14.009 -10.481 -0.828 1.00 31.30 H new ATOM 0 HG2 ARG A 73 13.958 -8.527 -2.433 1.00 2.50 H new ATOM 0 HG3 ARG A 73 13.477 -7.496 -1.100 1.00 2.50 H new ATOM 0 HD2 ARG A 73 15.913 -7.367 -1.491 1.00 34.12 H new ATOM 0 HD3 ARG A 73 15.563 -8.003 0.104 1.00 34.12 H new ATOM 0 HE ARG A 73 16.005 -10.298 -0.836 1.00 45.12 H new ATOM 0 HH11 ARG A 73 17.207 -7.492 -2.548 1.00 43.35 H new ATOM 0 HH12 ARG A 73 18.554 -8.387 -3.258 1.00 43.35 H new ATOM 0 HH21 ARG A 73 17.711 -11.378 -1.730 1.00 24.43 H new ATOM 0 HH22 ARG A 73 18.832 -10.537 -2.806 1.00 24.43 H new ATOM 1134 N GLN A 74 11.232 -11.516 0.574 1.00 55.13 N ATOM 1135 CA GLN A 74 10.824 -12.841 1.067 1.00 63.45 C ATOM 1136 C GLN A 74 9.571 -13.363 0.338 1.00 0.34 C ATOM 1137 O GLN A 74 9.463 -14.552 0.040 1.00 13.50 O ATOM 1138 CB GLN A 74 10.568 -12.810 2.582 1.00 52.21 C ATOM 1139 CG GLN A 74 9.500 -11.809 3.012 1.00 72.50 C ATOM 1140 CD GLN A 74 9.047 -12.011 4.447 1.00 74.01 C ATOM 1141 OE1 GLN A 74 8.096 -12.737 4.717 1.00 54.02 O ATOM 1142 NE2 GLN A 74 9.723 -11.379 5.378 1.00 5.13 N ATOM 0 H GLN A 74 11.246 -10.785 1.285 1.00 55.13 H new ATOM 0 HA GLN A 74 11.648 -13.523 0.859 1.00 63.45 H new ATOM 0 HB2 GLN A 74 10.271 -13.806 2.910 1.00 52.21 H new ATOM 0 HB3 GLN A 74 11.501 -12.572 3.093 1.00 52.21 H new ATOM 0 HG2 GLN A 74 9.890 -10.798 2.898 1.00 72.50 H new ATOM 0 HG3 GLN A 74 8.639 -11.896 2.349 1.00 72.50 H new ATOM 0 HE21 GLN A 74 10.509 -10.782 5.121 1.00 5.13 H new ATOM 0 HE22 GLN A 74 9.462 -11.485 6.358 1.00 5.13 H new ATOM 1151 N TRP A 75 8.632 -12.461 0.045 1.00 51.13 N ATOM 1152 CA TRP A 75 7.401 -12.822 -0.674 1.00 14.11 C ATOM 1153 C TRP A 75 7.646 -12.978 -2.184 1.00 3.31 C ATOM 1154 O TRP A 75 6.738 -13.334 -2.933 1.00 73.00 O ATOM 1155 CB TRP A 75 6.314 -11.760 -0.441 1.00 31.44 C ATOM 1156 CG TRP A 75 5.871 -11.637 0.990 1.00 71.41 C ATOM 1157 CD1 TRP A 75 6.232 -12.435 2.036 1.00 73.01 C ATOM 1158 CD2 TRP A 75 4.967 -10.661 1.527 1.00 55.44 C ATOM 1159 NE1 TRP A 75 5.620 -12.011 3.188 1.00 23.33 N ATOM 1160 CE2 TRP A 75 4.836 -10.926 2.902 1.00 63.41 C ATOM 1161 CE3 TRP A 75 4.259 -9.585 0.978 1.00 15.12 C ATOM 1162 CZ2 TRP A 75 4.027 -10.158 3.736 1.00 64.22 C ATOM 1163 CZ3 TRP A 75 3.455 -8.824 1.807 1.00 31.02 C ATOM 1164 CH2 TRP A 75 3.345 -9.116 3.172 1.00 22.35 C ATOM 0 H TRP A 75 8.697 -11.474 0.293 1.00 51.13 H new ATOM 0 HA TRP A 75 7.068 -13.783 -0.281 1.00 14.11 H new ATOM 0 HB2 TRP A 75 6.688 -10.793 -0.778 1.00 31.44 H new ATOM 0 HB3 TRP A 75 5.448 -12.000 -1.058 1.00 31.44 H new ATOM 0 HD1 TRP A 75 6.903 -13.279 1.967 1.00 73.01 H new ATOM 0 HE1 TRP A 75 5.731 -12.436 4.109 1.00 23.33 H new ATOM 0 HE3 TRP A 75 4.339 -9.353 -0.074 1.00 15.12 H new ATOM 0 HZ2 TRP A 75 3.942 -10.378 4.790 1.00 64.22 H new ATOM 0 HZ3 TRP A 75 2.904 -7.992 1.395 1.00 31.02 H new ATOM 0 HH2 TRP A 75 2.707 -8.504 3.793 1.00 22.35 H new ATOM 1175 N GLY A 76 8.867 -12.681 -2.630 1.00 11.13 N ATOM 1176 CA GLY A 76 9.188 -12.755 -4.054 1.00 73.20 C ATOM 1177 C GLY A 76 8.805 -11.484 -4.808 1.00 35.22 C ATOM 1178 O GLY A 76 9.508 -11.061 -5.725 1.00 70.14 O ATOM 0 H GLY A 76 9.641 -12.390 -2.033 1.00 11.13 H new ATOM 0 HA2 GLY A 76 10.256 -12.936 -4.173 1.00 73.20 H new ATOM 0 HA3 GLY A 76 8.669 -13.606 -4.496 1.00 73.20 H new ATOM 1182 N VAL A 77 7.700 -10.866 -4.391 1.00 60.25 N ATOM 1183 CA VAL A 77 7.180 -9.636 -5.006 1.00 35.22 C ATOM 1184 C VAL A 77 8.264 -8.548 -5.175 1.00 73.41 C ATOM 1185 O VAL A 77 8.189 -7.722 -6.080 1.00 21.22 O ATOM 1186 CB VAL A 77 6.014 -9.063 -4.168 1.00 11.23 C ATOM 1187 CG1 VAL A 77 5.405 -7.829 -4.829 1.00 35.14 C ATOM 1188 CG2 VAL A 77 4.949 -10.130 -3.918 1.00 2.14 C ATOM 0 H VAL A 77 7.134 -11.204 -3.612 1.00 60.25 H new ATOM 0 HA VAL A 77 6.828 -9.914 -6.000 1.00 35.22 H new ATOM 0 HB VAL A 77 6.420 -8.754 -3.205 1.00 11.23 H new ATOM 0 HG11 VAL A 77 4.588 -7.452 -4.213 1.00 35.14 H new ATOM 0 HG12 VAL A 77 6.168 -7.057 -4.932 1.00 35.14 H new ATOM 0 HG13 VAL A 77 5.023 -8.095 -5.815 1.00 35.14 H new ATOM 0 HG21 VAL A 77 4.139 -9.704 -3.327 1.00 2.14 H new ATOM 0 HG22 VAL A 77 4.556 -10.482 -4.872 1.00 2.14 H new ATOM 0 HG23 VAL A 77 5.392 -10.966 -3.377 1.00 2.14 H new ATOM 1198 N GLY A 78 9.275 -8.559 -4.311 1.00 11.52 N ATOM 1199 CA GLY A 78 10.353 -7.576 -4.406 1.00 63.12 C ATOM 1200 C GLY A 78 11.747 -8.197 -4.444 1.00 34.30 C ATOM 1201 O GLY A 78 12.729 -7.538 -4.101 1.00 3.33 O ATOM 0 H GLY A 78 9.372 -9.227 -3.547 1.00 11.52 H new ATOM 0 HA2 GLY A 78 10.208 -6.976 -5.304 1.00 63.12 H new ATOM 0 HA3 GLY A 78 10.290 -6.897 -3.555 1.00 63.12 H new ATOM 1205 N ASN A 79 11.842 -9.456 -4.877 1.00 15.33 N ATOM 1206 CA ASN A 79 13.136 -10.158 -4.944 1.00 30.44 C ATOM 1207 C ASN A 79 14.089 -9.468 -5.939 1.00 22.01 C ATOM 1208 O ASN A 79 14.100 -9.782 -7.131 1.00 14.11 O ATOM 1209 CB ASN A 79 12.929 -11.631 -5.333 1.00 72.15 C ATOM 1210 CG ASN A 79 14.219 -12.434 -5.291 1.00 12.03 C ATOM 1211 OD1 ASN A 79 15.122 -12.149 -4.511 1.00 54.13 O ATOM 1212 ND2 ASN A 79 14.318 -13.450 -6.123 1.00 60.12 N ATOM 0 H ASN A 79 11.045 -10.013 -5.186 1.00 15.33 H new ATOM 0 HA ASN A 79 13.593 -10.119 -3.955 1.00 30.44 H new ATOM 0 HB2 ASN A 79 12.202 -12.083 -4.658 1.00 72.15 H new ATOM 0 HB3 ASN A 79 12.506 -11.682 -6.336 1.00 72.15 H new ATOM 0 HD21 ASN A 79 15.162 -14.023 -6.130 1.00 60.12 H new ATOM 0 HD22 ASN A 79 13.551 -13.664 -6.761 1.00 60.12 H new ATOM 1219 N GLU A 80 14.874 -8.516 -5.430 1.00 4.21 N ATOM 1220 CA GLU A 80 15.732 -7.663 -6.262 1.00 24.44 C ATOM 1221 C GLU A 80 14.922 -7.015 -7.400 1.00 63.41 C ATOM 1222 O GLU A 80 15.232 -7.173 -8.582 1.00 62.13 O ATOM 1223 CB GLU A 80 16.924 -8.450 -6.823 1.00 32.33 C ATOM 1224 CG GLU A 80 17.989 -7.568 -7.471 1.00 33.04 C ATOM 1225 CD GLU A 80 19.134 -8.364 -8.077 1.00 60.30 C ATOM 1226 OE1 GLU A 80 19.947 -8.923 -7.309 1.00 74.23 O ATOM 1227 OE2 GLU A 80 19.229 -8.425 -9.323 1.00 50.54 O ATOM 0 H GLU A 80 14.934 -8.313 -4.432 1.00 4.21 H new ATOM 0 HA GLU A 80 16.126 -6.869 -5.627 1.00 24.44 H new ATOM 0 HB2 GLU A 80 17.381 -9.024 -6.017 1.00 32.33 H new ATOM 0 HB3 GLU A 80 16.561 -9.167 -7.559 1.00 32.33 H new ATOM 0 HG2 GLU A 80 17.525 -6.960 -8.248 1.00 33.04 H new ATOM 0 HG3 GLU A 80 18.387 -6.881 -6.724 1.00 33.04 H new ATOM 1234 N LYS A 81 13.863 -6.301 -7.018 1.00 15.42 N ATOM 1235 CA LYS A 81 13.006 -5.578 -7.968 1.00 12.30 C ATOM 1236 C LYS A 81 12.302 -6.532 -8.953 1.00 22.12 C ATOM 1237 O LYS A 81 12.537 -6.492 -10.163 1.00 21.22 O ATOM 1238 CB LYS A 81 13.805 -4.492 -8.726 1.00 42.11 C ATOM 1239 CG LYS A 81 14.247 -3.314 -7.852 1.00 61.22 C ATOM 1240 CD LYS A 81 15.257 -3.732 -6.783 1.00 61.43 C ATOM 1241 CE LYS A 81 15.542 -2.603 -5.797 1.00 44.43 C ATOM 1242 NZ LYS A 81 16.165 -1.423 -6.453 1.00 61.53 N ATOM 0 H LYS A 81 13.573 -6.205 -6.045 1.00 15.42 H new ATOM 0 HA LYS A 81 12.229 -5.084 -7.385 1.00 12.30 H new ATOM 0 HB2 LYS A 81 14.688 -4.951 -9.172 1.00 42.11 H new ATOM 0 HB3 LYS A 81 13.194 -4.113 -9.546 1.00 42.11 H new ATOM 0 HG2 LYS A 81 14.687 -2.542 -8.483 1.00 61.22 H new ATOM 0 HG3 LYS A 81 13.374 -2.873 -7.371 1.00 61.22 H new ATOM 0 HD2 LYS A 81 14.876 -4.598 -6.242 1.00 61.43 H new ATOM 0 HD3 LYS A 81 16.187 -4.039 -7.262 1.00 61.43 H new ATOM 0 HE2 LYS A 81 14.612 -2.300 -5.317 1.00 44.43 H new ATOM 0 HE3 LYS A 81 16.202 -2.969 -5.010 1.00 44.43 H new ATOM 0 HZ1 LYS A 81 16.386 -0.703 -5.735 1.00 61.53 H new ATOM 0 HZ2 LYS A 81 17.041 -1.714 -6.932 1.00 61.53 H new ATOM 0 HZ3 LYS A 81 15.505 -1.025 -7.151 1.00 61.53 H new ATOM 1256 N ASN A 82 11.432 -7.383 -8.411 1.00 62.12 N ATOM 1257 CA ASN A 82 10.607 -8.304 -9.209 1.00 31.20 C ATOM 1258 C ASN A 82 9.639 -7.525 -10.124 1.00 21.13 C ATOM 1259 O ASN A 82 9.044 -6.540 -9.701 1.00 53.42 O ATOM 1260 CB ASN A 82 9.843 -9.220 -8.248 1.00 53.14 C ATOM 1261 CG ASN A 82 8.755 -10.044 -8.909 1.00 43.42 C ATOM 1262 OD1 ASN A 82 7.698 -10.294 -8.168 1.00 1.11 O flip ATOM 1263 ND2 ASN A 82 8.863 -10.442 -10.063 1.00 71.20 N flip ATOM 0 H ASN A 82 11.275 -7.457 -7.406 1.00 62.12 H new ATOM 0 HA ASN A 82 11.244 -8.904 -9.859 1.00 31.20 H new ATOM 0 HB2 ASN A 82 10.551 -9.894 -7.766 1.00 53.14 H new ATOM 0 HB3 ASN A 82 9.396 -8.612 -7.462 1.00 53.14 H new ATOM 0 HD21 ASN A 82 9.702 -10.224 -10.601 1.00 71.20 H new ATOM 0 HD22 ASN A 82 8.114 -10.991 -10.485 1.00 71.20 H new ATOM 1270 N ASN A 83 9.469 -7.997 -11.363 1.00 75.14 N ATOM 1271 CA ASN A 83 8.779 -7.229 -12.420 1.00 21.31 C ATOM 1272 C ASN A 83 7.481 -6.514 -11.951 1.00 0.21 C ATOM 1273 O ASN A 83 7.470 -5.292 -11.797 1.00 64.33 O ATOM 1274 CB ASN A 83 8.508 -8.120 -13.652 1.00 75.35 C ATOM 1275 CG ASN A 83 7.564 -9.288 -13.392 1.00 34.11 C ATOM 1276 OD1 ASN A 83 7.500 -9.756 -12.165 1.00 51.11 O flip ATOM 1277 ND2 ASN A 83 6.878 -9.758 -14.293 1.00 42.34 N flip ATOM 0 H ASN A 83 9.800 -8.913 -11.666 1.00 75.14 H new ATOM 0 HA ASN A 83 9.464 -6.427 -12.696 1.00 21.31 H new ATOM 0 HB2 ASN A 83 8.091 -7.502 -14.447 1.00 75.35 H new ATOM 0 HB3 ASN A 83 9.457 -8.511 -14.018 1.00 75.35 H new ATOM 0 HD21 ASN A 83 6.946 -9.378 -15.237 1.00 42.34 H new ATOM 0 HD22 ASN A 83 6.240 -10.529 -14.099 1.00 42.34 H new ATOM 1284 N ASN A 84 6.406 -7.255 -11.703 1.00 73.42 N ATOM 1285 CA ASN A 84 5.102 -6.652 -11.384 1.00 24.03 C ATOM 1286 C ASN A 84 4.936 -6.384 -9.879 1.00 45.41 C ATOM 1287 O ASN A 84 3.817 -6.228 -9.394 1.00 44.45 O ATOM 1288 CB ASN A 84 3.977 -7.572 -11.879 1.00 63.32 C ATOM 1289 CG ASN A 84 3.905 -7.642 -13.395 1.00 1.11 C ATOM 1290 OD1 ASN A 84 4.894 -7.441 -14.093 1.00 44.35 O ATOM 1291 ND2 ASN A 84 2.734 -7.939 -13.921 1.00 2.23 N ATOM 0 H ASN A 84 6.405 -8.275 -11.715 1.00 73.42 H new ATOM 0 HA ASN A 84 5.050 -5.689 -11.891 1.00 24.03 H new ATOM 0 HB2 ASN A 84 4.130 -8.575 -11.479 1.00 63.32 H new ATOM 0 HB3 ASN A 84 3.023 -7.216 -11.490 1.00 63.32 H new ATOM 0 HD21 ASN A 84 2.632 -8.007 -14.934 1.00 2.23 H new ATOM 0 HD22 ASN A 84 1.929 -8.101 -13.316 1.00 2.23 H new ATOM 1298 N GLY A 85 6.050 -6.287 -9.161 1.00 50.23 N ATOM 1299 CA GLY A 85 5.999 -6.131 -7.713 1.00 35.40 C ATOM 1300 C GLY A 85 5.748 -4.700 -7.239 1.00 35.30 C ATOM 1301 O GLY A 85 6.436 -3.765 -7.655 1.00 63.32 O ATOM 0 H GLY A 85 6.991 -6.313 -9.554 1.00 50.23 H new ATOM 0 HA2 GLY A 85 5.213 -6.774 -7.318 1.00 35.40 H new ATOM 0 HA3 GLY A 85 6.940 -6.481 -7.289 1.00 35.40 H new ATOM 1305 N LEU A 86 4.750 -4.539 -6.368 1.00 11.24 N ATOM 1306 CA LEU A 86 4.468 -3.257 -5.710 1.00 41.21 C ATOM 1307 C LEU A 86 3.964 -3.486 -4.273 1.00 63.34 C ATOM 1308 O LEU A 86 2.922 -4.110 -4.060 1.00 4.14 O ATOM 1309 CB LEU A 86 3.424 -2.456 -6.507 1.00 10.52 C ATOM 1310 CG LEU A 86 3.055 -1.076 -5.924 1.00 34.34 C ATOM 1311 CD1 LEU A 86 4.288 -0.181 -5.811 1.00 32.14 C ATOM 1312 CD2 LEU A 86 1.976 -0.407 -6.775 1.00 63.33 C ATOM 0 H LEU A 86 4.115 -5.290 -6.098 1.00 11.24 H new ATOM 0 HA LEU A 86 5.396 -2.686 -5.672 1.00 41.21 H new ATOM 0 HB2 LEU A 86 3.798 -2.314 -7.521 1.00 10.52 H new ATOM 0 HB3 LEU A 86 2.515 -3.053 -6.583 1.00 10.52 H new ATOM 0 HG LEU A 86 2.658 -1.227 -4.920 1.00 34.34 H new ATOM 0 HD11 LEU A 86 3.999 0.785 -5.397 1.00 32.14 H new ATOM 0 HD12 LEU A 86 5.021 -0.652 -5.156 1.00 32.14 H new ATOM 0 HD13 LEU A 86 4.725 -0.037 -6.799 1.00 32.14 H new ATOM 0 HD21 LEU A 86 1.728 0.565 -6.349 1.00 63.33 H new ATOM 0 HD22 LEU A 86 2.345 -0.274 -7.792 1.00 63.33 H new ATOM 0 HD23 LEU A 86 1.085 -1.034 -6.791 1.00 63.33 H new ATOM 1324 N LEU A 87 4.699 -2.974 -3.289 1.00 1.10 N ATOM 1325 CA LEU A 87 4.333 -3.161 -1.879 1.00 74.55 C ATOM 1326 C LEU A 87 3.997 -1.823 -1.197 1.00 60.14 C ATOM 1327 O LEU A 87 4.785 -0.878 -1.237 1.00 72.31 O ATOM 1328 CB LEU A 87 5.473 -3.863 -1.125 1.00 14.41 C ATOM 1329 CG LEU A 87 5.190 -4.181 0.354 1.00 63.03 C ATOM 1330 CD1 LEU A 87 3.997 -5.121 0.494 1.00 73.35 C ATOM 1331 CD2 LEU A 87 6.427 -4.776 1.020 1.00 0.32 C ATOM 0 H LEU A 87 5.548 -2.428 -3.436 1.00 1.10 H new ATOM 0 HA LEU A 87 3.440 -3.785 -1.849 1.00 74.55 H new ATOM 0 HB2 LEU A 87 5.707 -4.794 -1.641 1.00 14.41 H new ATOM 0 HB3 LEU A 87 6.363 -3.236 -1.180 1.00 14.41 H new ATOM 0 HG LEU A 87 4.942 -3.247 0.859 1.00 63.03 H new ATOM 0 HD11 LEU A 87 3.819 -5.329 1.549 1.00 73.35 H new ATOM 0 HD12 LEU A 87 3.112 -4.653 0.063 1.00 73.35 H new ATOM 0 HD13 LEU A 87 4.206 -6.054 -0.030 1.00 73.35 H new ATOM 0 HD21 LEU A 87 6.208 -4.994 2.065 1.00 0.32 H new ATOM 0 HD22 LEU A 87 6.709 -5.696 0.508 1.00 0.32 H new ATOM 0 HD23 LEU A 87 7.249 -4.063 0.963 1.00 0.32 H new ATOM 1343 N LEU A 88 2.820 -1.763 -0.575 1.00 32.21 N ATOM 1344 CA LEU A 88 2.371 -0.580 0.172 1.00 33.32 C ATOM 1345 C LEU A 88 2.207 -0.907 1.667 1.00 20.31 C ATOM 1346 O LEU A 88 1.322 -1.668 2.050 1.00 64.21 O ATOM 1347 CB LEU A 88 1.038 -0.069 -0.407 1.00 63.21 C ATOM 1348 CG LEU A 88 0.321 1.026 0.409 1.00 32.03 C ATOM 1349 CD1 LEU A 88 1.221 2.241 0.612 1.00 42.11 C ATOM 1350 CD2 LEU A 88 -0.990 1.429 -0.270 1.00 34.15 C ATOM 0 H LEU A 88 2.148 -2.531 -0.572 1.00 32.21 H new ATOM 0 HA LEU A 88 3.127 0.199 0.073 1.00 33.32 H new ATOM 0 HB2 LEU A 88 1.224 0.316 -1.409 1.00 63.21 H new ATOM 0 HB3 LEU A 88 0.362 -0.917 -0.512 1.00 63.21 H new ATOM 0 HG LEU A 88 0.089 0.616 1.392 1.00 32.03 H new ATOM 0 HD11 LEU A 88 0.688 2.996 1.190 1.00 42.11 H new ATOM 0 HD12 LEU A 88 2.121 1.941 1.148 1.00 42.11 H new ATOM 0 HD13 LEU A 88 1.497 2.655 -0.358 1.00 42.11 H new ATOM 0 HD21 LEU A 88 -1.482 2.202 0.320 1.00 34.15 H new ATOM 0 HD22 LEU A 88 -0.780 1.812 -1.268 1.00 34.15 H new ATOM 0 HD23 LEU A 88 -1.643 0.559 -0.345 1.00 34.15 H new ATOM 1362 N VAL A 89 3.065 -0.333 2.508 1.00 22.35 N ATOM 1363 CA VAL A 89 3.006 -0.570 3.959 1.00 50.41 C ATOM 1364 C VAL A 89 2.732 0.730 4.733 1.00 3.25 C ATOM 1365 O VAL A 89 3.393 1.743 4.513 1.00 43.42 O ATOM 1366 CB VAL A 89 4.321 -1.212 4.486 1.00 71.14 C ATOM 1367 CG1 VAL A 89 4.254 -1.441 5.998 1.00 64.31 C ATOM 1368 CG2 VAL A 89 4.611 -2.524 3.754 1.00 64.21 C ATOM 0 H VAL A 89 3.810 0.299 2.216 1.00 22.35 H new ATOM 0 HA VAL A 89 2.181 -1.262 4.127 1.00 50.41 H new ATOM 0 HB VAL A 89 5.138 -0.518 4.287 1.00 71.14 H new ATOM 0 HG11 VAL A 89 5.186 -1.891 6.340 1.00 64.31 H new ATOM 0 HG12 VAL A 89 4.104 -0.487 6.504 1.00 64.31 H new ATOM 0 HG13 VAL A 89 3.424 -2.108 6.228 1.00 64.31 H new ATOM 0 HG21 VAL A 89 5.535 -2.958 4.137 1.00 64.21 H new ATOM 0 HG22 VAL A 89 3.789 -3.221 3.916 1.00 64.21 H new ATOM 0 HG23 VAL A 89 4.716 -2.330 2.687 1.00 64.21 H new ATOM 1378 N LEU A 90 1.748 0.690 5.633 1.00 23.44 N ATOM 1379 CA LEU A 90 1.402 1.842 6.479 1.00 53.35 C ATOM 1380 C LEU A 90 1.791 1.601 7.945 1.00 33.30 C ATOM 1381 O LEU A 90 1.395 0.601 8.551 1.00 34.41 O ATOM 1382 CB LEU A 90 -0.106 2.135 6.392 1.00 5.24 C ATOM 1383 CG LEU A 90 -0.658 3.109 7.454 1.00 31.31 C ATOM 1384 CD1 LEU A 90 -0.077 4.509 7.299 1.00 61.12 C ATOM 1385 CD2 LEU A 90 -2.185 3.155 7.413 1.00 11.23 C ATOM 0 H LEU A 90 1.170 -0.134 5.798 1.00 23.44 H new ATOM 0 HA LEU A 90 1.964 2.700 6.110 1.00 53.35 H new ATOM 0 HB2 LEU A 90 -0.323 2.542 5.404 1.00 5.24 H new ATOM 0 HB3 LEU A 90 -0.647 1.192 6.474 1.00 5.24 H new ATOM 0 HG LEU A 90 -0.348 2.730 8.428 1.00 31.31 H new ATOM 0 HD11 LEU A 90 -0.492 5.162 8.066 1.00 61.12 H new ATOM 0 HD12 LEU A 90 1.007 4.467 7.406 1.00 61.12 H new ATOM 0 HD13 LEU A 90 -0.329 4.901 6.314 1.00 61.12 H new ATOM 0 HD21 LEU A 90 -2.549 3.849 8.171 1.00 11.23 H new ATOM 0 HD22 LEU A 90 -2.513 3.489 6.429 1.00 11.23 H new ATOM 0 HD23 LEU A 90 -2.584 2.160 7.610 1.00 11.23 H new ATOM 1397 N VAL A 91 2.565 2.528 8.506 1.00 35.54 N ATOM 1398 CA VAL A 91 2.898 2.507 9.933 1.00 2.12 C ATOM 1399 C VAL A 91 2.007 3.495 10.703 1.00 24.42 C ATOM 1400 O VAL A 91 2.194 4.711 10.623 1.00 43.23 O ATOM 1401 CB VAL A 91 4.389 2.857 10.175 1.00 23.23 C ATOM 1402 CG1 VAL A 91 4.737 2.760 11.660 1.00 24.44 C ATOM 1403 CG2 VAL A 91 5.292 1.948 9.345 1.00 21.13 C ATOM 0 H VAL A 91 2.976 3.308 7.993 1.00 35.54 H new ATOM 0 HA VAL A 91 2.721 1.495 10.296 1.00 2.12 H new ATOM 0 HB VAL A 91 4.555 3.887 9.858 1.00 23.23 H new ATOM 0 HG11 VAL A 91 5.788 3.010 11.804 1.00 24.44 H new ATOM 0 HG12 VAL A 91 4.117 3.456 12.225 1.00 24.44 H new ATOM 0 HG13 VAL A 91 4.554 1.744 12.011 1.00 24.44 H new ATOM 0 HG21 VAL A 91 6.335 2.207 9.527 1.00 21.13 H new ATOM 0 HG22 VAL A 91 5.122 0.909 9.628 1.00 21.13 H new ATOM 0 HG23 VAL A 91 5.065 2.078 8.287 1.00 21.13 H new ATOM 1413 N LEU A 92 1.037 2.958 11.440 1.00 54.41 N ATOM 1414 CA LEU A 92 0.032 3.768 12.147 1.00 63.01 C ATOM 1415 C LEU A 92 0.652 4.783 13.126 1.00 64.35 C ATOM 1416 O LEU A 92 0.515 5.995 12.947 1.00 70.11 O ATOM 1417 CB LEU A 92 -0.940 2.839 12.897 1.00 32.24 C ATOM 1418 CG LEU A 92 -1.930 3.529 13.855 1.00 30.53 C ATOM 1419 CD1 LEU A 92 -2.860 4.472 13.095 1.00 3.50 C ATOM 1420 CD2 LEU A 92 -2.729 2.488 14.636 1.00 63.51 C ATOM 0 H LEU A 92 0.921 1.953 11.567 1.00 54.41 H new ATOM 0 HA LEU A 92 -0.501 4.348 11.394 1.00 63.01 H new ATOM 0 HB2 LEU A 92 -1.512 2.274 12.161 1.00 32.24 H new ATOM 0 HB3 LEU A 92 -0.355 2.118 13.468 1.00 32.24 H new ATOM 0 HG LEU A 92 -1.358 4.127 14.565 1.00 30.53 H new ATOM 0 HD11 LEU A 92 -3.549 4.946 13.795 1.00 3.50 H new ATOM 0 HD12 LEU A 92 -2.270 5.238 12.592 1.00 3.50 H new ATOM 0 HD13 LEU A 92 -3.427 3.906 12.355 1.00 3.50 H new ATOM 0 HD21 LEU A 92 -3.424 2.992 15.308 1.00 63.51 H new ATOM 0 HD22 LEU A 92 -3.287 1.861 13.941 1.00 63.51 H new ATOM 0 HD23 LEU A 92 -2.047 1.867 15.217 1.00 63.51 H new ATOM 1432 N ASP A 93 1.350 4.283 14.141 1.00 12.30 N ATOM 1433 CA ASP A 93 1.836 5.123 15.245 1.00 71.11 C ATOM 1434 C ASP A 93 2.830 6.201 14.766 1.00 10.15 C ATOM 1435 O ASP A 93 2.956 7.262 15.380 1.00 11.03 O ATOM 1436 CB ASP A 93 2.477 4.237 16.321 1.00 33.30 C ATOM 1437 CG ASP A 93 2.788 4.994 17.601 1.00 1.14 C ATOM 1438 OD1 ASP A 93 1.880 5.662 18.138 1.00 20.52 O ATOM 1439 OD2 ASP A 93 3.931 4.901 18.091 1.00 32.32 O ATOM 0 H ASP A 93 1.596 3.297 14.227 1.00 12.30 H new ATOM 0 HA ASP A 93 0.980 5.650 15.667 1.00 71.11 H new ATOM 0 HB2 ASP A 93 1.807 3.408 16.549 1.00 33.30 H new ATOM 0 HB3 ASP A 93 3.397 3.804 15.928 1.00 33.30 H new ATOM 1444 N GLN A 94 3.529 5.926 13.668 1.00 25.04 N ATOM 1445 CA GLN A 94 4.483 6.887 13.094 1.00 61.44 C ATOM 1446 C GLN A 94 3.846 7.691 11.945 1.00 73.51 C ATOM 1447 O GLN A 94 4.416 8.678 11.476 1.00 51.22 O ATOM 1448 CB GLN A 94 5.734 6.145 12.605 1.00 20.40 C ATOM 1449 CG GLN A 94 6.419 5.330 13.701 1.00 61.10 C ATOM 1450 CD GLN A 94 7.655 4.584 13.219 1.00 34.25 C ATOM 1451 OE1 GLN A 94 8.336 5.008 12.293 1.00 72.51 O ATOM 1452 NE2 GLN A 94 7.966 3.469 13.858 1.00 30.15 N ATOM 0 H GLN A 94 3.457 5.048 13.154 1.00 25.04 H new ATOM 0 HA GLN A 94 4.768 7.596 13.871 1.00 61.44 H new ATOM 0 HB2 GLN A 94 5.457 5.480 11.787 1.00 20.40 H new ATOM 0 HB3 GLN A 94 6.443 6.868 12.202 1.00 20.40 H new ATOM 0 HG2 GLN A 94 6.701 5.997 14.516 1.00 61.10 H new ATOM 0 HG3 GLN A 94 5.707 4.612 14.108 1.00 61.10 H new ATOM 0 HE21 GLN A 94 7.380 3.141 14.625 1.00 30.15 H new ATOM 0 HE22 GLN A 94 8.792 2.937 13.584 1.00 30.15 H new ATOM 1461 N ARG A 95 2.663 7.254 11.509 1.00 12.44 N ATOM 1462 CA ARG A 95 1.905 7.910 10.434 1.00 51.35 C ATOM 1463 C ARG A 95 2.763 8.151 9.175 1.00 34.30 C ATOM 1464 O ARG A 95 3.085 9.288 8.821 1.00 33.52 O ATOM 1465 CB ARG A 95 1.279 9.220 10.941 1.00 73.11 C ATOM 1466 CG ARG A 95 0.410 9.935 9.908 1.00 20.32 C ATOM 1467 CD ARG A 95 -0.299 11.145 10.504 1.00 0.22 C ATOM 1468 NE ARG A 95 -1.296 10.761 11.499 1.00 34.20 N ATOM 1469 CZ ARG A 95 -1.823 11.577 12.368 1.00 22.11 C ATOM 1470 NH1 ARG A 95 -1.411 12.802 12.460 1.00 60.33 N ATOM 1471 NH2 ARG A 95 -2.747 11.150 13.167 1.00 74.52 N ATOM 0 H ARG A 95 2.199 6.431 11.892 1.00 12.44 H new ATOM 0 HA ARG A 95 1.104 7.233 10.139 1.00 51.35 H new ATOM 0 HB2 ARG A 95 0.675 9.004 11.822 1.00 73.11 H new ATOM 0 HB3 ARG A 95 2.076 9.893 11.258 1.00 73.11 H new ATOM 0 HG2 ARG A 95 1.030 10.253 9.070 1.00 20.32 H new ATOM 0 HG3 ARG A 95 -0.330 9.239 9.511 1.00 20.32 H new ATOM 0 HD2 ARG A 95 0.436 11.805 10.964 1.00 0.22 H new ATOM 0 HD3 ARG A 95 -0.782 11.711 9.707 1.00 0.22 H new ATOM 0 HE ARG A 95 -1.601 9.788 11.515 1.00 34.20 H new ATOM 0 HH11 ARG A 95 -0.667 13.137 11.848 1.00 60.33 H new ATOM 0 HH12 ARG A 95 -1.831 13.431 13.144 1.00 60.33 H new ATOM 0 HH21 ARG A 95 -3.059 10.180 13.114 1.00 74.52 H new ATOM 0 HH22 ARG A 95 -3.164 11.783 13.849 1.00 74.52 H new ATOM 1485 N ARG A 96 3.149 7.062 8.518 1.00 13.40 N ATOM 1486 CA ARG A 96 3.916 7.136 7.266 1.00 33.41 C ATOM 1487 C ARG A 96 3.807 5.826 6.473 1.00 62.01 C ATOM 1488 O ARG A 96 3.628 4.753 7.051 1.00 42.23 O ATOM 1489 CB ARG A 96 5.384 7.467 7.566 1.00 53.21 C ATOM 1490 CG ARG A 96 6.063 6.474 8.499 1.00 64.12 C ATOM 1491 CD ARG A 96 7.371 7.026 9.054 1.00 15.11 C ATOM 1492 NE ARG A 96 7.165 8.254 9.826 1.00 23.04 N ATOM 1493 CZ ARG A 96 8.100 8.870 10.494 1.00 41.23 C ATOM 1494 NH1 ARG A 96 9.314 8.421 10.510 1.00 55.25 N ATOM 1495 NH2 ARG A 96 7.818 9.946 11.148 1.00 34.22 N ATOM 0 H ARG A 96 2.945 6.112 8.828 1.00 13.40 H new ATOM 0 HA ARG A 96 3.495 7.932 6.652 1.00 33.41 H new ATOM 0 HB2 ARG A 96 5.937 7.505 6.627 1.00 53.21 H new ATOM 0 HB3 ARG A 96 5.439 8.462 8.008 1.00 53.21 H new ATOM 0 HG2 ARG A 96 5.392 6.231 9.323 1.00 64.12 H new ATOM 0 HG3 ARG A 96 6.258 5.545 7.963 1.00 64.12 H new ATOM 0 HD2 ARG A 96 7.842 6.274 9.687 1.00 15.11 H new ATOM 0 HD3 ARG A 96 8.058 7.226 8.232 1.00 15.11 H new ATOM 0 HE ARG A 96 6.227 8.654 9.842 1.00 23.04 H new ATOM 0 HH11 ARG A 96 9.551 7.573 9.995 1.00 55.25 H new ATOM 0 HH12 ARG A 96 10.034 8.915 11.038 1.00 55.25 H new ATOM 0 HH21 ARG A 96 6.866 10.312 11.141 1.00 34.22 H new ATOM 0 HH22 ARG A 96 8.547 10.430 11.672 1.00 34.22 H new ATOM 1509 N VAL A 97 3.907 5.919 5.147 1.00 72.41 N ATOM 1510 CA VAL A 97 3.749 4.746 4.270 1.00 30.24 C ATOM 1511 C VAL A 97 4.909 4.623 3.268 1.00 50.43 C ATOM 1512 O VAL A 97 5.740 5.523 3.147 1.00 34.10 O ATOM 1513 CB VAL A 97 2.414 4.787 3.478 1.00 31.32 C ATOM 1514 CG1 VAL A 97 1.234 5.034 4.398 1.00 41.55 C ATOM 1515 CG2 VAL A 97 2.459 5.835 2.371 1.00 64.34 C ATOM 0 H VAL A 97 4.096 6.790 4.652 1.00 72.41 H new ATOM 0 HA VAL A 97 3.747 3.879 4.931 1.00 30.24 H new ATOM 0 HB VAL A 97 2.282 3.809 3.014 1.00 31.32 H new ATOM 0 HG11 VAL A 97 0.315 5.057 3.813 1.00 41.55 H new ATOM 0 HG12 VAL A 97 1.174 4.234 5.136 1.00 41.55 H new ATOM 0 HG13 VAL A 97 1.364 5.989 4.908 1.00 41.55 H new ATOM 0 HG21 VAL A 97 1.510 5.839 1.835 1.00 64.34 H new ATOM 0 HG22 VAL A 97 2.633 6.818 2.808 1.00 64.34 H new ATOM 0 HG23 VAL A 97 3.266 5.598 1.678 1.00 64.34 H new ATOM 1525 N ARG A 98 4.951 3.502 2.548 1.00 53.22 N ATOM 1526 CA ARG A 98 5.979 3.269 1.524 1.00 62.24 C ATOM 1527 C ARG A 98 5.416 2.565 0.285 1.00 43.44 C ATOM 1528 O ARG A 98 4.435 1.829 0.359 1.00 1.14 O ATOM 1529 CB ARG A 98 7.139 2.439 2.103 1.00 52.53 C ATOM 1530 CG ARG A 98 8.315 3.267 2.611 1.00 51.30 C ATOM 1531 CD ARG A 98 9.124 3.875 1.470 1.00 44.23 C ATOM 1532 NE ARG A 98 9.764 2.848 0.638 1.00 1.34 N ATOM 1533 CZ ARG A 98 10.638 3.105 -0.301 1.00 51.30 C ATOM 1534 NH1 ARG A 98 10.984 4.327 -0.564 1.00 72.41 N ATOM 1535 NH2 ARG A 98 11.173 2.135 -0.971 1.00 4.13 N ATOM 0 H ARG A 98 4.285 2.737 2.653 1.00 53.22 H new ATOM 0 HA ARG A 98 6.344 4.249 1.216 1.00 62.24 H new ATOM 0 HB2 ARG A 98 6.759 1.829 2.923 1.00 52.53 H new ATOM 0 HB3 ARG A 98 7.498 1.754 1.335 1.00 52.53 H new ATOM 0 HG2 ARG A 98 7.945 4.063 3.257 1.00 51.30 H new ATOM 0 HG3 ARG A 98 8.964 2.638 3.220 1.00 51.30 H new ATOM 0 HD2 ARG A 98 8.471 4.488 0.849 1.00 44.23 H new ATOM 0 HD3 ARG A 98 9.887 4.536 1.880 1.00 44.23 H new ATOM 0 HE ARG A 98 9.511 1.874 0.802 1.00 1.34 H new ATOM 0 HH11 ARG A 98 10.574 5.098 -0.037 1.00 72.41 H new ATOM 0 HH12 ARG A 98 11.666 4.517 -1.298 1.00 72.41 H new ATOM 0 HH21 ARG A 98 10.913 1.170 -0.767 1.00 4.13 H new ATOM 0 HH22 ARG A 98 11.854 2.336 -1.703 1.00 4.13 H new ATOM 1549 N PHE A 99 6.072 2.799 -0.848 1.00 54.23 N ATOM 1550 CA PHE A 99 5.747 2.137 -2.117 1.00 33.30 C ATOM 1551 C PHE A 99 7.019 1.552 -2.749 1.00 62.51 C ATOM 1552 O PHE A 99 7.907 2.293 -3.174 1.00 12.05 O ATOM 1553 CB PHE A 99 5.095 3.120 -3.102 1.00 55.04 C ATOM 1554 CG PHE A 99 3.613 3.330 -2.906 1.00 1.31 C ATOM 1555 CD1 PHE A 99 2.699 2.421 -3.423 1.00 22.43 C ATOM 1556 CD2 PHE A 99 3.132 4.444 -2.232 1.00 53.43 C ATOM 1557 CE1 PHE A 99 1.340 2.619 -3.272 1.00 42.45 C ATOM 1558 CE2 PHE A 99 1.772 4.642 -2.075 1.00 4.24 C ATOM 1559 CZ PHE A 99 0.875 3.731 -2.597 1.00 20.34 C ATOM 0 H PHE A 99 6.849 3.456 -0.917 1.00 54.23 H new ATOM 0 HA PHE A 99 5.040 1.335 -1.905 1.00 33.30 H new ATOM 0 HB2 PHE A 99 5.598 4.083 -3.017 1.00 55.04 H new ATOM 0 HB3 PHE A 99 5.265 2.760 -4.117 1.00 55.04 H new ATOM 0 HD1 PHE A 99 3.055 1.548 -3.950 1.00 22.43 H new ATOM 0 HD2 PHE A 99 3.827 5.164 -1.826 1.00 53.43 H new ATOM 0 HE1 PHE A 99 0.641 1.905 -3.682 1.00 42.45 H new ATOM 0 HE2 PHE A 99 1.411 5.510 -1.543 1.00 4.24 H new ATOM 0 HZ PHE A 99 -0.187 3.887 -2.478 1.00 20.34 H new ATOM 1569 N GLU A 100 7.112 0.228 -2.792 1.00 21.12 N ATOM 1570 CA GLU A 100 8.291 -0.446 -3.356 1.00 13.12 C ATOM 1571 C GLU A 100 7.974 -1.030 -4.745 1.00 32.41 C ATOM 1572 O GLU A 100 7.177 -1.963 -4.859 1.00 52.10 O ATOM 1573 CB GLU A 100 8.747 -1.567 -2.405 1.00 14.34 C ATOM 1574 CG GLU A 100 10.215 -1.969 -2.556 1.00 74.22 C ATOM 1575 CD GLU A 100 11.166 -0.890 -2.054 1.00 2.35 C ATOM 1576 OE1 GLU A 100 11.127 -0.577 -0.844 1.00 22.11 O ATOM 1577 OE2 GLU A 100 11.938 -0.332 -2.861 1.00 64.35 O ATOM 0 H GLU A 100 6.391 -0.405 -2.446 1.00 21.12 H new ATOM 0 HA GLU A 100 9.092 0.285 -3.468 1.00 13.12 H new ATOM 0 HB2 GLU A 100 8.575 -1.247 -1.377 1.00 14.34 H new ATOM 0 HB3 GLU A 100 8.124 -2.445 -2.574 1.00 14.34 H new ATOM 0 HG2 GLU A 100 10.395 -2.893 -2.006 1.00 74.22 H new ATOM 0 HG3 GLU A 100 10.426 -2.177 -3.605 1.00 74.22 H new ATOM 1584 N THR A 101 8.587 -0.475 -5.796 1.00 45.43 N ATOM 1585 CA THR A 101 8.361 -0.953 -7.173 1.00 12.32 C ATOM 1586 C THR A 101 9.427 -1.938 -7.641 1.00 70.21 C ATOM 1587 O THR A 101 10.602 -1.848 -7.272 1.00 73.32 O ATOM 1588 CB THR A 101 8.316 0.201 -8.210 1.00 61.15 C ATOM 1589 OG1 THR A 101 9.230 1.247 -7.847 1.00 41.05 O ATOM 1590 CG2 THR A 101 6.907 0.757 -8.362 1.00 30.42 C ATOM 0 H THR A 101 9.242 0.303 -5.725 1.00 45.43 H new ATOM 0 HA THR A 101 7.392 -1.449 -7.124 1.00 12.32 H new ATOM 0 HB THR A 101 8.621 -0.210 -9.173 1.00 61.15 H new ATOM 0 HG1 THR A 101 9.848 1.414 -8.589 1.00 41.05 H new ATOM 0 HG21 THR A 101 6.911 1.563 -9.095 1.00 30.42 H new ATOM 0 HG22 THR A 101 6.237 -0.035 -8.697 1.00 30.42 H new ATOM 0 HG23 THR A 101 6.562 1.141 -7.402 1.00 30.42 H new ATOM 1598 N GLY A 102 9.002 -2.873 -8.477 1.00 15.14 N ATOM 1599 CA GLY A 102 9.930 -3.756 -9.153 1.00 54.55 C ATOM 1600 C GLY A 102 10.296 -3.267 -10.549 1.00 14.33 C ATOM 1601 O GLY A 102 9.722 -2.304 -11.059 1.00 51.31 O ATOM 0 H GLY A 102 8.021 -3.037 -8.701 1.00 15.14 H new ATOM 0 HA2 GLY A 102 10.837 -3.849 -8.556 1.00 54.55 H new ATOM 0 HA3 GLY A 102 9.492 -4.751 -9.224 1.00 54.55 H new ATOM 1605 N TYR A 103 11.234 -3.964 -11.176 1.00 40.40 N ATOM 1606 CA TYR A 103 11.745 -3.603 -12.506 1.00 14.10 C ATOM 1607 C TYR A 103 10.631 -3.499 -13.572 1.00 0.43 C ATOM 1608 O TYR A 103 10.788 -2.813 -14.581 1.00 33.41 O ATOM 1609 CB TYR A 103 12.811 -4.640 -12.918 1.00 34.20 C ATOM 1610 CG TYR A 103 12.945 -4.876 -14.414 1.00 21.55 C ATOM 1611 CD1 TYR A 103 13.760 -4.072 -15.202 1.00 72.43 C ATOM 1612 CD2 TYR A 103 12.257 -5.915 -15.031 1.00 63.40 C ATOM 1613 CE1 TYR A 103 13.883 -4.295 -16.562 1.00 71.32 C ATOM 1614 CE2 TYR A 103 12.374 -6.144 -16.388 1.00 10.04 C ATOM 1615 CZ TYR A 103 13.188 -5.333 -17.150 1.00 3.21 C ATOM 1616 OH TYR A 103 13.305 -5.561 -18.503 1.00 33.13 O ATOM 0 H TYR A 103 11.668 -4.799 -10.782 1.00 40.40 H new ATOM 0 HA TYR A 103 12.187 -2.608 -12.445 1.00 14.10 H new ATOM 0 HB2 TYR A 103 13.777 -4.317 -12.530 1.00 34.20 H new ATOM 0 HB3 TYR A 103 12.575 -5.589 -12.437 1.00 34.20 H new ATOM 0 HD1 TYR A 103 14.306 -3.260 -14.745 1.00 72.43 H new ATOM 0 HD2 TYR A 103 11.620 -6.554 -14.438 1.00 63.40 H new ATOM 0 HE1 TYR A 103 14.520 -3.660 -17.161 1.00 71.32 H new ATOM 0 HE2 TYR A 103 11.830 -6.955 -16.850 1.00 10.04 H new ATOM 0 HH TYR A 103 12.751 -6.330 -18.754 1.00 33.13 H new ATOM 1626 N GLY A 104 9.501 -4.154 -13.331 1.00 41.23 N ATOM 1627 CA GLY A 104 8.430 -4.193 -14.324 1.00 61.21 C ATOM 1628 C GLY A 104 7.579 -2.930 -14.312 1.00 4.20 C ATOM 1629 O GLY A 104 7.210 -2.396 -15.358 1.00 24.13 O ATOM 0 H GLY A 104 9.302 -4.660 -12.468 1.00 41.23 H new ATOM 0 HA2 GLY A 104 8.863 -4.327 -15.316 1.00 61.21 H new ATOM 0 HA3 GLY A 104 7.794 -5.058 -14.134 1.00 61.21 H new ATOM 1633 N LEU A 105 7.284 -2.442 -13.111 1.00 24.51 N ATOM 1634 CA LEU A 105 6.414 -1.275 -12.934 1.00 12.34 C ATOM 1635 C LEU A 105 7.154 0.055 -13.148 1.00 23.43 C ATOM 1636 O LEU A 105 6.530 1.112 -13.176 1.00 61.52 O ATOM 1637 CB LEU A 105 5.771 -1.304 -11.544 1.00 22.34 C ATOM 1638 CG LEU A 105 4.807 -2.475 -11.302 1.00 72.33 C ATOM 1639 CD1 LEU A 105 4.231 -2.413 -9.894 1.00 13.21 C ATOM 1640 CD2 LEU A 105 3.686 -2.482 -12.342 1.00 43.50 C ATOM 0 H LEU A 105 7.635 -2.837 -12.239 1.00 24.51 H new ATOM 0 HA LEU A 105 5.640 -1.335 -13.699 1.00 12.34 H new ATOM 0 HB2 LEU A 105 6.562 -1.342 -10.795 1.00 22.34 H new ATOM 0 HB3 LEU A 105 5.231 -0.370 -11.390 1.00 22.34 H new ATOM 0 HG LEU A 105 5.369 -3.403 -11.403 1.00 72.33 H new ATOM 0 HD11 LEU A 105 3.551 -3.251 -9.742 1.00 13.21 H new ATOM 0 HD12 LEU A 105 5.041 -2.467 -9.167 1.00 13.21 H new ATOM 0 HD13 LEU A 105 3.688 -1.477 -9.764 1.00 13.21 H new ATOM 0 HD21 LEU A 105 3.016 -3.320 -12.150 1.00 43.50 H new ATOM 0 HD22 LEU A 105 3.126 -1.549 -12.280 1.00 43.50 H new ATOM 0 HD23 LEU A 105 4.115 -2.582 -13.339 1.00 43.50 H new ATOM 1652 N GLU A 106 8.475 0.003 -13.318 1.00 72.11 N ATOM 1653 CA GLU A 106 9.275 1.213 -13.580 1.00 62.21 C ATOM 1654 C GLU A 106 8.835 1.946 -14.866 1.00 51.24 C ATOM 1655 O GLU A 106 9.241 3.085 -15.112 1.00 44.31 O ATOM 1656 CB GLU A 106 10.769 0.858 -13.661 1.00 43.00 C ATOM 1657 CG GLU A 106 11.408 0.555 -12.308 1.00 3.34 C ATOM 1658 CD GLU A 106 11.361 1.744 -11.351 1.00 5.25 C ATOM 1659 OE1 GLU A 106 11.744 2.862 -11.764 1.00 53.02 O ATOM 1660 OE2 GLU A 106 10.947 1.568 -10.184 1.00 0.21 O ATOM 0 H GLU A 106 9.019 -0.859 -13.280 1.00 72.11 H new ATOM 0 HA GLU A 106 9.105 1.893 -12.746 1.00 62.21 H new ATOM 0 HB2 GLU A 106 10.892 -0.008 -14.312 1.00 43.00 H new ATOM 0 HB3 GLU A 106 11.304 1.685 -14.127 1.00 43.00 H new ATOM 0 HG2 GLU A 106 10.897 -0.293 -11.852 1.00 3.34 H new ATOM 0 HG3 GLU A 106 12.446 0.258 -12.460 1.00 3.34 H new ATOM 1667 N GLY A 107 8.013 1.290 -15.684 1.00 12.11 N ATOM 1668 CA GLY A 107 7.470 1.928 -16.883 1.00 0.00 C ATOM 1669 C GLY A 107 6.155 2.670 -16.632 1.00 73.22 C ATOM 1670 O GLY A 107 5.703 3.447 -17.473 1.00 40.31 O ATOM 0 H GLY A 107 7.711 0.326 -15.541 1.00 12.11 H new ATOM 0 HA2 GLY A 107 8.205 2.629 -17.277 1.00 0.00 H new ATOM 0 HA3 GLY A 107 7.310 1.169 -17.649 1.00 0.00 H new ATOM 1674 N TYR A 108 5.543 2.429 -15.473 1.00 3.45 N ATOM 1675 CA TYR A 108 4.257 3.053 -15.121 1.00 71.44 C ATOM 1676 C TYR A 108 4.376 3.954 -13.883 1.00 4.42 C ATOM 1677 O TYR A 108 3.894 5.089 -13.873 1.00 62.11 O ATOM 1678 CB TYR A 108 3.200 1.975 -14.833 1.00 25.23 C ATOM 1679 CG TYR A 108 2.973 0.992 -15.966 1.00 4.25 C ATOM 1680 CD1 TYR A 108 2.202 1.342 -17.067 1.00 11.11 C ATOM 1681 CD2 TYR A 108 3.527 -0.285 -15.932 1.00 43.34 C ATOM 1682 CE1 TYR A 108 1.986 0.450 -18.099 1.00 25.11 C ATOM 1683 CE2 TYR A 108 3.314 -1.183 -16.962 1.00 54.21 C ATOM 1684 CZ TYR A 108 2.544 -0.808 -18.042 1.00 54.44 C ATOM 1685 OH TYR A 108 2.328 -1.695 -19.071 1.00 72.55 O ATOM 0 H TYR A 108 5.914 1.805 -14.757 1.00 3.45 H new ATOM 0 HA TYR A 108 3.959 3.662 -15.974 1.00 71.44 H new ATOM 0 HB2 TYR A 108 3.499 1.421 -13.943 1.00 25.23 H new ATOM 0 HB3 TYR A 108 2.255 2.465 -14.600 1.00 25.23 H new ATOM 0 HD1 TYR A 108 1.764 2.328 -17.117 1.00 11.11 H new ATOM 0 HD2 TYR A 108 4.133 -0.579 -15.088 1.00 43.34 H new ATOM 0 HE1 TYR A 108 1.382 0.738 -18.947 1.00 25.11 H new ATOM 0 HE2 TYR A 108 3.748 -2.171 -16.920 1.00 54.21 H new ATOM 0 HH TYR A 108 2.791 -2.537 -18.879 1.00 72.55 H new ATOM 1695 N LEU A 109 5.018 3.428 -12.840 1.00 53.13 N ATOM 1696 CA LEU A 109 5.012 4.054 -11.512 1.00 1.14 C ATOM 1697 C LEU A 109 6.434 4.362 -11.000 1.00 71.15 C ATOM 1698 O LEU A 109 7.085 3.501 -10.408 1.00 54.43 O ATOM 1699 CB LEU A 109 4.311 3.112 -10.521 1.00 50.30 C ATOM 1700 CG LEU A 109 2.895 2.662 -10.923 1.00 22.11 C ATOM 1701 CD1 LEU A 109 2.462 1.454 -10.098 1.00 73.15 C ATOM 1702 CD2 LEU A 109 1.897 3.807 -10.768 1.00 60.23 C ATOM 0 H LEU A 109 5.554 2.562 -12.888 1.00 53.13 H new ATOM 0 HA LEU A 109 4.481 5.003 -11.594 1.00 1.14 H new ATOM 0 HB2 LEU A 109 4.931 2.225 -10.389 1.00 50.30 H new ATOM 0 HB3 LEU A 109 4.254 3.609 -9.552 1.00 50.30 H new ATOM 0 HG LEU A 109 2.915 2.371 -11.973 1.00 22.11 H new ATOM 0 HD11 LEU A 109 1.459 1.150 -10.396 1.00 73.15 H new ATOM 0 HD12 LEU A 109 3.156 0.630 -10.267 1.00 73.15 H new ATOM 0 HD13 LEU A 109 2.462 1.717 -9.040 1.00 73.15 H new ATOM 0 HD21 LEU A 109 0.903 3.465 -11.058 1.00 60.23 H new ATOM 0 HD22 LEU A 109 1.879 4.136 -9.729 1.00 60.23 H new ATOM 0 HD23 LEU A 109 2.195 4.639 -11.406 1.00 60.23 H new ATOM 1714 N PRO A 110 6.944 5.584 -11.242 1.00 60.50 N ATOM 1715 CA PRO A 110 8.202 6.048 -10.629 1.00 44.14 C ATOM 1716 C PRO A 110 8.005 6.475 -9.161 1.00 1.24 C ATOM 1717 O PRO A 110 6.882 6.767 -8.738 1.00 12.44 O ATOM 1718 CB PRO A 110 8.582 7.249 -11.502 1.00 73.25 C ATOM 1719 CG PRO A 110 7.276 7.787 -11.981 1.00 21.24 C ATOM 1720 CD PRO A 110 6.365 6.594 -12.150 1.00 0.42 C ATOM 0 HA PRO A 110 8.966 5.271 -10.595 1.00 44.14 H new ATOM 0 HB2 PRO A 110 9.134 7.996 -10.932 1.00 73.25 H new ATOM 0 HB3 PRO A 110 9.218 6.949 -12.335 1.00 73.25 H new ATOM 0 HG2 PRO A 110 6.861 8.496 -11.264 1.00 21.24 H new ATOM 0 HG3 PRO A 110 7.397 8.321 -12.924 1.00 21.24 H new ATOM 0 HD2 PRO A 110 5.337 6.833 -11.880 1.00 0.42 H new ATOM 0 HD3 PRO A 110 6.350 6.244 -13.182 1.00 0.42 H new ATOM 1728 N ASP A 111 9.097 6.529 -8.388 1.00 23.12 N ATOM 1729 CA ASP A 111 9.012 6.875 -6.960 1.00 72.23 C ATOM 1730 C ASP A 111 8.305 8.225 -6.742 1.00 24.35 C ATOM 1731 O ASP A 111 7.553 8.392 -5.783 1.00 43.11 O ATOM 1732 CB ASP A 111 10.407 6.884 -6.308 1.00 11.31 C ATOM 1733 CG ASP A 111 11.344 7.927 -6.898 1.00 64.20 C ATOM 1734 OD1 ASP A 111 11.350 9.077 -6.410 1.00 32.31 O ATOM 1735 OD2 ASP A 111 12.084 7.600 -7.847 1.00 24.24 O ATOM 0 H ASP A 111 10.042 6.340 -8.721 1.00 23.12 H new ATOM 0 HA ASP A 111 8.411 6.104 -6.478 1.00 72.23 H new ATOM 0 HB2 ASP A 111 10.299 7.067 -5.239 1.00 11.31 H new ATOM 0 HB3 ASP A 111 10.858 5.898 -6.418 1.00 11.31 H new ATOM 1740 N GLY A 112 8.538 9.179 -7.647 1.00 23.32 N ATOM 1741 CA GLY A 112 7.878 10.478 -7.565 1.00 62.44 C ATOM 1742 C GLY A 112 6.354 10.386 -7.649 1.00 65.52 C ATOM 1743 O GLY A 112 5.645 10.966 -6.826 1.00 1.55 O ATOM 0 H GLY A 112 9.174 9.075 -8.438 1.00 23.32 H new ATOM 0 HA2 GLY A 112 8.155 10.961 -6.628 1.00 62.44 H new ATOM 0 HA3 GLY A 112 8.242 11.115 -8.371 1.00 62.44 H new ATOM 1747 N LEU A 113 5.854 9.654 -8.644 1.00 52.24 N ATOM 1748 CA LEU A 113 4.410 9.455 -8.819 1.00 24.14 C ATOM 1749 C LEU A 113 3.789 8.770 -7.592 1.00 41.43 C ATOM 1750 O LEU A 113 2.725 9.166 -7.115 1.00 75.23 O ATOM 1751 CB LEU A 113 4.142 8.622 -10.081 1.00 3.15 C ATOM 1752 CG LEU A 113 2.669 8.245 -10.333 1.00 25.32 C ATOM 1753 CD1 LEU A 113 1.789 9.489 -10.412 1.00 42.12 C ATOM 1754 CD2 LEU A 113 2.540 7.410 -11.605 1.00 74.14 C ATOM 0 H LEU A 113 6.428 9.186 -9.345 1.00 52.24 H new ATOM 0 HA LEU A 113 3.945 10.435 -8.929 1.00 24.14 H new ATOM 0 HB2 LEU A 113 4.509 9.177 -10.945 1.00 3.15 H new ATOM 0 HB3 LEU A 113 4.727 7.704 -10.019 1.00 3.15 H new ATOM 0 HG LEU A 113 2.325 7.645 -9.490 1.00 25.32 H new ATOM 0 HD11 LEU A 113 0.755 9.193 -10.590 1.00 42.12 H new ATOM 0 HD12 LEU A 113 1.852 10.039 -9.473 1.00 42.12 H new ATOM 0 HD13 LEU A 113 2.130 10.125 -11.229 1.00 42.12 H new ATOM 0 HD21 LEU A 113 1.493 7.153 -11.767 1.00 74.14 H new ATOM 0 HD22 LEU A 113 2.909 7.983 -12.456 1.00 74.14 H new ATOM 0 HD23 LEU A 113 3.126 6.497 -11.502 1.00 74.14 H new ATOM 1766 N LEU A 114 4.465 7.742 -7.088 1.00 33.55 N ATOM 1767 CA LEU A 114 4.017 7.032 -5.887 1.00 10.12 C ATOM 1768 C LEU A 114 3.996 7.970 -4.669 1.00 71.45 C ATOM 1769 O LEU A 114 3.041 7.981 -3.892 1.00 73.04 O ATOM 1770 CB LEU A 114 4.936 5.834 -5.628 1.00 33.21 C ATOM 1771 CG LEU A 114 4.972 4.789 -6.759 1.00 44.54 C ATOM 1772 CD1 LEU A 114 6.046 3.733 -6.498 1.00 5.23 C ATOM 1773 CD2 LEU A 114 3.598 4.136 -6.931 1.00 4.34 C ATOM 0 H LEU A 114 5.328 7.379 -7.492 1.00 33.55 H new ATOM 0 HA LEU A 114 3.000 6.675 -6.049 1.00 10.12 H new ATOM 0 HB2 LEU A 114 5.948 6.201 -5.459 1.00 33.21 H new ATOM 0 HB3 LEU A 114 4.618 5.342 -4.709 1.00 33.21 H new ATOM 0 HG LEU A 114 5.227 5.302 -7.686 1.00 44.54 H new ATOM 0 HD11 LEU A 114 6.049 3.008 -7.312 1.00 5.23 H new ATOM 0 HD12 LEU A 114 7.022 4.214 -6.437 1.00 5.23 H new ATOM 0 HD13 LEU A 114 5.834 3.223 -5.559 1.00 5.23 H new ATOM 0 HD21 LEU A 114 3.643 3.401 -7.734 1.00 4.34 H new ATOM 0 HD22 LEU A 114 3.311 3.642 -6.003 1.00 4.34 H new ATOM 0 HD23 LEU A 114 2.861 4.900 -7.179 1.00 4.34 H new ATOM 1785 N SER A 115 5.051 8.771 -4.529 1.00 52.52 N ATOM 1786 CA SER A 115 5.149 9.759 -3.443 1.00 54.52 C ATOM 1787 C SER A 115 4.064 10.832 -3.576 1.00 64.11 C ATOM 1788 O SER A 115 3.552 11.349 -2.580 1.00 30.01 O ATOM 1789 CB SER A 115 6.532 10.420 -3.446 1.00 41.45 C ATOM 1790 OG SER A 115 6.638 11.417 -2.438 1.00 51.23 O ATOM 0 H SER A 115 5.856 8.759 -5.155 1.00 52.52 H new ATOM 0 HA SER A 115 5.004 9.234 -2.499 1.00 54.52 H new ATOM 0 HB2 SER A 115 7.299 9.661 -3.290 1.00 41.45 H new ATOM 0 HB3 SER A 115 6.720 10.867 -4.422 1.00 41.45 H new ATOM 0 HG SER A 115 7.532 11.817 -2.466 1.00 51.23 H new ATOM 1796 N ARG A 116 3.720 11.163 -4.818 1.00 44.15 N ATOM 1797 CA ARG A 116 2.648 12.118 -5.101 1.00 74.33 C ATOM 1798 C ARG A 116 1.322 11.628 -4.499 1.00 22.03 C ATOM 1799 O ARG A 116 0.661 12.350 -3.756 1.00 4.41 O ATOM 1800 CB ARG A 116 2.495 12.298 -6.615 1.00 51.23 C ATOM 1801 CG ARG A 116 1.598 13.464 -7.014 1.00 70.43 C ATOM 1802 CD ARG A 116 1.302 13.460 -8.510 1.00 61.20 C ATOM 1803 NE ARG A 116 2.512 13.302 -9.320 1.00 34.04 N ATOM 1804 CZ ARG A 116 2.526 13.342 -10.626 1.00 2.34 C ATOM 1805 NH1 ARG A 116 1.454 13.645 -11.285 1.00 35.45 N ATOM 1806 NH2 ARG A 116 3.621 13.107 -11.273 1.00 64.13 N ATOM 0 H ARG A 116 4.170 10.782 -5.650 1.00 44.15 H new ATOM 0 HA ARG A 116 2.906 13.076 -4.649 1.00 74.33 H new ATOM 0 HB2 ARG A 116 3.482 12.445 -7.054 1.00 51.23 H new ATOM 0 HB3 ARG A 116 2.090 11.380 -7.041 1.00 51.23 H new ATOM 0 HG2 ARG A 116 0.662 13.411 -6.458 1.00 70.43 H new ATOM 0 HG3 ARG A 116 2.078 14.403 -6.740 1.00 70.43 H new ATOM 0 HD2 ARG A 116 0.608 12.651 -8.738 1.00 61.20 H new ATOM 0 HD3 ARG A 116 0.806 14.392 -8.782 1.00 61.20 H new ATOM 0 HE ARG A 116 3.397 13.152 -8.836 1.00 34.04 H new ATOM 0 HH11 ARG A 116 0.590 13.855 -10.785 1.00 35.45 H new ATOM 0 HH12 ARG A 116 1.473 13.674 -12.304 1.00 35.45 H new ATOM 0 HH21 ARG A 116 4.478 12.889 -10.764 1.00 64.13 H new ATOM 0 HH22 ARG A 116 3.628 13.139 -12.292 1.00 64.13 H new ATOM 1820 N ILE A 117 0.958 10.384 -4.818 1.00 1.31 N ATOM 1821 CA ILE A 117 -0.251 9.751 -4.275 1.00 34.52 C ATOM 1822 C ILE A 117 -0.278 9.844 -2.742 1.00 25.41 C ATOM 1823 O ILE A 117 -1.295 10.210 -2.139 1.00 43.20 O ATOM 1824 CB ILE A 117 -0.330 8.258 -4.692 1.00 54.32 C ATOM 1825 CG1 ILE A 117 -0.293 8.127 -6.225 1.00 75.44 C ATOM 1826 CG2 ILE A 117 -1.589 7.600 -4.119 1.00 22.34 C ATOM 1827 CD1 ILE A 117 -0.245 6.695 -6.721 1.00 54.21 C ATOM 0 H ILE A 117 1.487 9.789 -5.455 1.00 1.31 H new ATOM 0 HA ILE A 117 -1.109 10.285 -4.684 1.00 34.52 H new ATOM 0 HB ILE A 117 0.537 7.739 -4.282 1.00 54.32 H new ATOM 0 HG12 ILE A 117 -1.173 8.616 -6.642 1.00 75.44 H new ATOM 0 HG13 ILE A 117 0.578 8.661 -6.604 1.00 75.44 H new ATOM 0 HG21 ILE A 117 -1.624 6.554 -4.424 1.00 22.34 H new ATOM 0 HG22 ILE A 117 -1.568 7.660 -3.031 1.00 22.34 H new ATOM 0 HG23 ILE A 117 -2.472 8.117 -4.494 1.00 22.34 H new ATOM 0 HD11 ILE A 117 -0.221 6.688 -7.811 1.00 54.21 H new ATOM 0 HD12 ILE A 117 0.650 6.206 -6.335 1.00 54.21 H new ATOM 0 HD13 ILE A 117 -1.129 6.160 -6.374 1.00 54.21 H new ATOM 1839 N ILE A 118 0.861 9.523 -2.125 1.00 51.25 N ATOM 1840 CA ILE A 118 1.010 9.594 -0.670 1.00 43.30 C ATOM 1841 C ILE A 118 0.693 10.998 -0.132 1.00 23.13 C ATOM 1842 O ILE A 118 -0.175 11.168 0.724 1.00 2.41 O ATOM 1843 CB ILE A 118 2.451 9.221 -0.234 1.00 35.23 C ATOM 1844 CG1 ILE A 118 2.816 7.807 -0.711 1.00 33.04 C ATOM 1845 CG2 ILE A 118 2.608 9.335 1.284 1.00 3.52 C ATOM 1846 CD1 ILE A 118 4.248 7.405 -0.409 1.00 25.34 C ATOM 0 H ILE A 118 1.699 9.209 -2.614 1.00 51.25 H new ATOM 0 HA ILE A 118 0.299 8.879 -0.255 1.00 43.30 H new ATOM 0 HB ILE A 118 3.138 9.927 -0.701 1.00 35.23 H new ATOM 0 HG12 ILE A 118 2.142 7.091 -0.242 1.00 33.04 H new ATOM 0 HG13 ILE A 118 2.650 7.743 -1.786 1.00 33.04 H new ATOM 0 HG21 ILE A 118 3.627 9.068 1.565 1.00 3.52 H new ATOM 0 HG22 ILE A 118 2.402 10.359 1.595 1.00 3.52 H new ATOM 0 HG23 ILE A 118 1.908 8.659 1.774 1.00 3.52 H new ATOM 0 HD11 ILE A 118 4.428 6.395 -0.777 1.00 25.34 H new ATOM 0 HD12 ILE A 118 4.932 8.097 -0.901 1.00 25.34 H new ATOM 0 HD13 ILE A 118 4.415 7.434 0.668 1.00 25.34 H new ATOM 1858 N HIS A 119 1.387 12.005 -0.650 1.00 20.32 N ATOM 1859 CA HIS A 119 1.298 13.354 -0.091 1.00 23.43 C ATOM 1860 C HIS A 119 0.060 14.125 -0.581 1.00 70.23 C ATOM 1861 O HIS A 119 -0.332 15.121 0.033 1.00 61.32 O ATOM 1862 CB HIS A 119 2.569 14.151 -0.405 1.00 53.10 C ATOM 1863 CG HIS A 119 2.975 15.047 0.721 1.00 31.11 C ATOM 1864 ND1 HIS A 119 2.150 16.019 1.245 1.00 13.32 N ATOM 1865 CD2 HIS A 119 4.106 15.079 1.461 1.00 12.34 C ATOM 1866 CE1 HIS A 119 2.753 16.606 2.258 1.00 22.45 C ATOM 1867 NE2 HIS A 119 3.939 16.054 2.411 1.00 61.32 N ATOM 0 H HIS A 119 2.014 11.917 -1.450 1.00 20.32 H new ATOM 0 HA HIS A 119 1.196 13.236 0.988 1.00 23.43 H new ATOM 0 HB2 HIS A 119 3.382 13.460 -0.626 1.00 53.10 H new ATOM 0 HB3 HIS A 119 2.407 14.750 -1.301 1.00 53.10 H new ATOM 0 HD1 HIS A 119 1.217 16.248 0.902 1.00 13.32 H new ATOM 0 HD2 HIS A 119 4.977 14.454 1.329 1.00 12.34 H new ATOM 0 HE1 HIS A 119 2.345 17.404 2.860 1.00 22.45 H new ATOM 1876 N ASP A 120 -0.542 13.672 -1.678 1.00 31.20 N ATOM 1877 CA ASP A 120 -1.714 14.348 -2.250 1.00 44.44 C ATOM 1878 C ASP A 120 -3.004 13.982 -1.494 1.00 14.53 C ATOM 1879 O ASP A 120 -3.689 14.856 -0.959 1.00 72.41 O ATOM 1880 CB ASP A 120 -1.849 13.995 -3.741 1.00 73.44 C ATOM 1881 CG ASP A 120 -2.943 14.789 -4.442 1.00 73.42 C ATOM 1882 OD1 ASP A 120 -2.805 16.026 -4.554 1.00 1.11 O ATOM 1883 OD2 ASP A 120 -3.944 14.185 -4.890 1.00 13.33 O ATOM 0 H ASP A 120 -0.242 12.843 -2.191 1.00 31.20 H new ATOM 0 HA ASP A 120 -1.566 15.423 -2.147 1.00 44.44 H new ATOM 0 HB2 ASP A 120 -0.898 14.179 -4.240 1.00 73.44 H new ATOM 0 HB3 ASP A 120 -2.060 12.930 -3.839 1.00 73.44 H new ATOM 1888 N ARG A 121 -3.335 12.690 -1.442 1.00 64.02 N ATOM 1889 CA ARG A 121 -4.607 12.250 -0.840 1.00 34.31 C ATOM 1890 C ARG A 121 -4.416 11.415 0.437 1.00 35.23 C ATOM 1891 O ARG A 121 -5.217 11.506 1.366 1.00 51.42 O ATOM 1892 CB ARG A 121 -5.432 11.457 -1.862 1.00 64.12 C ATOM 1893 CG ARG A 121 -5.748 12.254 -3.124 1.00 25.41 C ATOM 1894 CD ARG A 121 -6.785 11.566 -4.006 1.00 71.32 C ATOM 1895 NE ARG A 121 -8.069 11.403 -3.325 1.00 3.14 N ATOM 1896 CZ ARG A 121 -8.897 12.379 -3.055 1.00 2.11 C ATOM 1897 NH1 ARG A 121 -8.606 13.607 -3.348 1.00 23.10 N ATOM 1898 NH2 ARG A 121 -10.024 12.115 -2.488 1.00 53.35 N ATOM 0 H ARG A 121 -2.752 11.935 -1.803 1.00 64.02 H new ATOM 0 HA ARG A 121 -5.141 13.155 -0.550 1.00 34.31 H new ATOM 0 HB2 ARG A 121 -4.888 10.554 -2.137 1.00 64.12 H new ATOM 0 HB3 ARG A 121 -6.365 11.138 -1.398 1.00 64.12 H new ATOM 0 HG2 ARG A 121 -6.113 13.242 -2.844 1.00 25.41 H new ATOM 0 HG3 ARG A 121 -4.831 12.402 -3.695 1.00 25.41 H new ATOM 0 HD2 ARG A 121 -6.930 12.149 -4.916 1.00 71.32 H new ATOM 0 HD3 ARG A 121 -6.410 10.589 -4.310 1.00 71.32 H new ATOM 0 HE ARG A 121 -8.338 10.461 -3.040 1.00 3.14 H new ATOM 0 HH11 ARG A 121 -7.717 13.827 -3.798 1.00 23.10 H new ATOM 0 HH12 ARG A 121 -9.266 14.354 -3.129 1.00 23.10 H new ATOM 0 HH21 ARG A 121 -10.264 11.152 -2.254 1.00 53.35 H new ATOM 0 HH22 ARG A 121 -10.676 12.869 -2.274 1.00 53.35 H new ATOM 1912 N MET A 122 -3.361 10.613 0.493 1.00 52.33 N ATOM 1913 CA MET A 122 -3.157 9.699 1.625 1.00 12.34 C ATOM 1914 C MET A 122 -2.833 10.450 2.934 1.00 52.04 C ATOM 1915 O MET A 122 -3.431 10.174 3.975 1.00 21.20 O ATOM 1916 CB MET A 122 -2.054 8.689 1.290 1.00 2.23 C ATOM 1917 CG MET A 122 -2.350 7.867 0.038 1.00 72.43 C ATOM 1918 SD MET A 122 -1.028 6.718 -0.385 1.00 73.40 S ATOM 1919 CE MET A 122 -1.068 5.603 1.015 1.00 75.11 C ATOM 0 H MET A 122 -2.635 10.571 -0.222 1.00 52.33 H new ATOM 0 HA MET A 122 -4.093 9.167 1.792 1.00 12.34 H new ATOM 0 HB2 MET A 122 -1.113 9.221 1.153 1.00 2.23 H new ATOM 0 HB3 MET A 122 -1.919 8.015 2.136 1.00 2.23 H new ATOM 0 HG2 MET A 122 -3.274 7.309 0.188 1.00 72.43 H new ATOM 0 HG3 MET A 122 -2.518 8.542 -0.801 1.00 72.43 H new ATOM 0 HE1 MET A 122 -0.504 4.701 0.778 1.00 75.11 H new ATOM 0 HE2 MET A 122 -0.624 6.092 1.882 1.00 75.11 H new ATOM 0 HE3 MET A 122 -2.101 5.337 1.239 1.00 75.11 H new ATOM 1929 N ILE A 123 -1.900 11.407 2.874 1.00 65.23 N ATOM 1930 CA ILE A 123 -1.484 12.176 4.064 1.00 30.24 C ATOM 1931 C ILE A 123 -2.669 12.874 4.778 1.00 14.13 C ATOM 1932 O ILE A 123 -2.865 12.669 5.981 1.00 20.53 O ATOM 1933 CB ILE A 123 -0.385 13.229 3.717 1.00 42.24 C ATOM 1934 CG1 ILE A 123 0.939 12.538 3.342 1.00 72.35 C ATOM 1935 CG2 ILE A 123 -0.167 14.206 4.879 1.00 41.42 C ATOM 1936 CD1 ILE A 123 1.605 11.816 4.493 1.00 14.21 C ATOM 0 H ILE A 123 -1.416 11.671 2.016 1.00 65.23 H new ATOM 0 HA ILE A 123 -1.068 11.442 4.754 1.00 30.24 H new ATOM 0 HB ILE A 123 -0.734 13.798 2.855 1.00 42.24 H new ATOM 0 HG12 ILE A 123 0.750 11.825 2.540 1.00 72.35 H new ATOM 0 HG13 ILE A 123 1.628 13.285 2.948 1.00 72.35 H new ATOM 0 HG21 ILE A 123 0.604 14.927 4.608 1.00 41.42 H new ATOM 0 HG22 ILE A 123 -1.098 14.732 5.092 1.00 41.42 H new ATOM 0 HG23 ILE A 123 0.148 13.654 5.764 1.00 41.42 H new ATOM 0 HD11 ILE A 123 2.531 11.356 4.147 1.00 14.21 H new ATOM 0 HD12 ILE A 123 1.828 12.527 5.288 1.00 14.21 H new ATOM 0 HD13 ILE A 123 0.937 11.044 4.874 1.00 14.21 H new ATOM 1948 N PRO A 124 -3.477 13.711 4.076 1.00 41.03 N ATOM 1949 CA PRO A 124 -4.620 14.399 4.703 1.00 70.30 C ATOM 1950 C PRO A 124 -5.587 13.424 5.396 1.00 1.34 C ATOM 1951 O PRO A 124 -6.049 13.681 6.510 1.00 10.04 O ATOM 1952 CB PRO A 124 -5.311 15.127 3.534 1.00 74.35 C ATOM 1953 CG PRO A 124 -4.745 14.517 2.295 1.00 54.14 C ATOM 1954 CD PRO A 124 -3.356 14.059 2.649 1.00 4.31 C ATOM 0 HA PRO A 124 -4.295 15.076 5.493 1.00 70.30 H new ATOM 0 HB2 PRO A 124 -6.393 14.999 3.576 1.00 74.35 H new ATOM 0 HB3 PRO A 124 -5.116 16.199 3.569 1.00 74.35 H new ATOM 0 HG2 PRO A 124 -5.357 13.680 1.959 1.00 54.14 H new ATOM 0 HG3 PRO A 124 -4.720 15.241 1.481 1.00 54.14 H new ATOM 0 HD2 PRO A 124 -3.048 13.203 2.049 1.00 4.31 H new ATOM 0 HD3 PRO A 124 -2.618 14.844 2.486 1.00 4.31 H new ATOM 1962 N HIS A 125 -5.878 12.295 4.741 1.00 51.40 N ATOM 1963 CA HIS A 125 -6.742 11.265 5.334 1.00 31.32 C ATOM 1964 C HIS A 125 -6.142 10.711 6.637 1.00 73.11 C ATOM 1965 O HIS A 125 -6.830 10.621 7.655 1.00 43.32 O ATOM 1966 CB HIS A 125 -6.989 10.115 4.347 1.00 41.41 C ATOM 1967 CG HIS A 125 -8.019 10.419 3.301 1.00 33.22 C ATOM 1968 ND1 HIS A 125 -9.307 10.744 3.645 1.00 44.04 N ATOM 1969 CD2 HIS A 125 -7.913 10.418 1.949 1.00 3.13 C ATOM 1970 CE1 HIS A 125 -9.951 10.930 2.508 1.00 64.52 C ATOM 1971 NE2 HIS A 125 -9.148 10.743 1.452 1.00 55.14 N ATOM 0 H HIS A 125 -5.532 12.071 3.808 1.00 51.40 H new ATOM 0 HA HIS A 125 -7.695 11.741 5.566 1.00 31.32 H new ATOM 0 HB2 HIS A 125 -6.049 9.864 3.855 1.00 41.41 H new ATOM 0 HB3 HIS A 125 -7.302 9.232 4.905 1.00 41.41 H new ATOM 0 HD2 HIS A 125 -7.025 10.202 1.374 1.00 3.13 H new ATOM 0 HE1 HIS A 125 -10.995 11.199 2.438 1.00 64.52 H new ATOM 0 HE2 HIS A 125 -9.406 10.826 0.469 1.00 55.14 H new ATOM 1979 N PHE A 126 -4.853 10.356 6.600 1.00 35.04 N ATOM 1980 CA PHE A 126 -4.156 9.833 7.784 1.00 31.44 C ATOM 1981 C PHE A 126 -4.243 10.814 8.960 1.00 64.11 C ATOM 1982 O PHE A 126 -4.569 10.428 10.081 1.00 64.34 O ATOM 1983 CB PHE A 126 -2.678 9.546 7.465 1.00 12.14 C ATOM 1984 CG PHE A 126 -2.460 8.498 6.400 1.00 3.13 C ATOM 1985 CD1 PHE A 126 -3.398 7.498 6.182 1.00 43.54 C ATOM 1986 CD2 PHE A 126 -1.316 8.517 5.615 1.00 64.31 C ATOM 1987 CE1 PHE A 126 -3.201 6.543 5.206 1.00 33.01 C ATOM 1988 CE2 PHE A 126 -1.115 7.562 4.636 1.00 25.31 C ATOM 1989 CZ PHE A 126 -2.060 6.575 4.431 1.00 3.30 C ATOM 0 H PHE A 126 -4.271 10.421 5.765 1.00 35.04 H new ATOM 0 HA PHE A 126 -4.650 8.903 8.067 1.00 31.44 H new ATOM 0 HB2 PHE A 126 -2.201 10.473 7.148 1.00 12.14 H new ATOM 0 HB3 PHE A 126 -2.177 9.227 8.379 1.00 12.14 H new ATOM 0 HD1 PHE A 126 -4.294 7.467 6.784 1.00 43.54 H new ATOM 0 HD2 PHE A 126 -0.574 9.286 5.771 1.00 64.31 H new ATOM 0 HE1 PHE A 126 -3.940 5.771 5.049 1.00 33.01 H new ATOM 0 HE2 PHE A 126 -0.220 7.587 4.032 1.00 25.31 H new ATOM 0 HZ PHE A 126 -1.906 5.829 3.665 1.00 3.30 H new ATOM 1999 N ARG A 127 -3.961 12.088 8.691 1.00 24.13 N ATOM 2000 CA ARG A 127 -4.020 13.131 9.725 1.00 61.32 C ATOM 2001 C ARG A 127 -5.457 13.324 10.239 1.00 34.25 C ATOM 2002 O ARG A 127 -5.674 13.621 11.415 1.00 62.33 O ATOM 2003 CB ARG A 127 -3.474 14.455 9.172 1.00 24.11 C ATOM 2004 CG ARG A 127 -2.070 14.337 8.582 1.00 62.44 C ATOM 2005 CD ARG A 127 -1.551 15.675 8.061 1.00 62.15 C ATOM 2006 NE ARG A 127 -1.265 16.617 9.143 1.00 75.13 N ATOM 2007 CZ ARG A 127 -1.073 17.897 8.973 1.00 74.54 C ATOM 2008 NH1 ARG A 127 -1.221 18.440 7.807 1.00 74.42 N ATOM 2009 NH2 ARG A 127 -0.753 18.637 9.983 1.00 52.34 N ATOM 0 H ARG A 127 -3.689 12.427 7.768 1.00 24.13 H new ATOM 0 HA ARG A 127 -3.401 12.811 10.563 1.00 61.32 H new ATOM 0 HB2 ARG A 127 -4.152 14.826 8.403 1.00 24.11 H new ATOM 0 HB3 ARG A 127 -3.462 15.196 9.971 1.00 24.11 H new ATOM 0 HG2 ARG A 127 -1.389 13.956 9.343 1.00 62.44 H new ATOM 0 HG3 ARG A 127 -2.079 13.611 7.769 1.00 62.44 H new ATOM 0 HD2 ARG A 127 -0.645 15.509 7.478 1.00 62.15 H new ATOM 0 HD3 ARG A 127 -2.289 16.111 7.387 1.00 62.15 H new ATOM 0 HE ARG A 127 -1.212 16.249 10.093 1.00 75.13 H new ATOM 0 HH11 ARG A 127 -1.491 17.866 7.008 1.00 74.42 H new ATOM 0 HH12 ARG A 127 -1.068 19.441 7.688 1.00 74.42 H new ATOM 0 HH21 ARG A 127 -0.651 18.220 10.909 1.00 52.34 H new ATOM 0 HH22 ARG A 127 -0.602 19.638 9.855 1.00 52.34 H new ATOM 2023 N SER A 128 -6.437 13.137 9.352 1.00 2.32 N ATOM 2024 CA SER A 128 -7.856 13.269 9.718 1.00 54.11 C ATOM 2025 C SER A 128 -8.396 11.990 10.378 1.00 15.45 C ATOM 2026 O SER A 128 -9.567 11.925 10.758 1.00 14.40 O ATOM 2027 CB SER A 128 -8.702 13.597 8.478 1.00 15.44 C ATOM 2028 OG SER A 128 -8.250 14.785 7.842 1.00 23.52 O ATOM 0 H SER A 128 -6.278 12.894 8.374 1.00 2.32 H new ATOM 0 HA SER A 128 -7.928 14.084 10.439 1.00 54.11 H new ATOM 0 HB2 SER A 128 -8.657 12.766 7.774 1.00 15.44 H new ATOM 0 HB3 SER A 128 -9.746 13.712 8.768 1.00 15.44 H new ATOM 0 HG SER A 128 -7.452 14.587 7.309 1.00 23.52 H new ATOM 2034 N GLY A 129 -7.545 10.971 10.500 1.00 20.14 N ATOM 2035 CA GLY A 129 -7.950 9.720 11.138 1.00 54.41 C ATOM 2036 C GLY A 129 -8.362 8.634 10.147 1.00 72.24 C ATOM 2037 O GLY A 129 -8.418 7.454 10.503 1.00 14.43 O ATOM 0 H GLY A 129 -6.580 10.987 10.169 1.00 20.14 H new ATOM 0 HA2 GLY A 129 -7.126 9.350 11.748 1.00 54.41 H new ATOM 0 HA3 GLY A 129 -8.782 9.919 11.813 1.00 54.41 H new ATOM 2041 N ASN A 130 -8.637 9.018 8.901 1.00 24.14 N ATOM 2042 CA ASN A 130 -9.072 8.059 7.873 1.00 44.43 C ATOM 2043 C ASN A 130 -7.888 7.282 7.272 1.00 11.22 C ATOM 2044 O ASN A 130 -7.582 7.411 6.083 1.00 13.14 O ATOM 2045 CB ASN A 130 -9.828 8.767 6.743 1.00 64.25 C ATOM 2046 CG ASN A 130 -11.147 9.373 7.174 1.00 43.43 C ATOM 2047 OD1 ASN A 130 -11.763 8.953 8.149 1.00 44.41 O ATOM 2048 ND2 ASN A 130 -11.604 10.350 6.423 1.00 53.21 N ATOM 0 H ASN A 130 -8.568 9.982 8.575 1.00 24.14 H new ATOM 0 HA ASN A 130 -9.736 7.353 8.371 1.00 44.43 H new ATOM 0 HB2 ASN A 130 -9.195 9.553 6.332 1.00 64.25 H new ATOM 0 HB3 ASN A 130 -10.012 8.054 5.939 1.00 64.25 H new ATOM 0 HD21 ASN A 130 -12.499 10.786 6.643 1.00 53.21 H new ATOM 0 HD22 ASN A 130 -11.063 10.672 5.620 1.00 53.21 H new ATOM 2055 N TYR A 131 -7.226 6.467 8.089 1.00 24.23 N ATOM 2056 CA TYR A 131 -6.112 5.639 7.607 1.00 12.34 C ATOM 2057 C TYR A 131 -6.593 4.611 6.570 1.00 33.03 C ATOM 2058 O TYR A 131 -5.863 4.262 5.640 1.00 41.40 O ATOM 2059 CB TYR A 131 -5.411 4.936 8.779 1.00 34.43 C ATOM 2060 CG TYR A 131 -4.687 5.889 9.717 1.00 51.32 C ATOM 2061 CD1 TYR A 131 -3.363 6.253 9.484 1.00 71.13 C ATOM 2062 CD2 TYR A 131 -5.327 6.431 10.828 1.00 73.20 C ATOM 2063 CE1 TYR A 131 -2.703 7.126 10.328 1.00 54.33 C ATOM 2064 CE2 TYR A 131 -4.670 7.303 11.676 1.00 70.44 C ATOM 2065 CZ TYR A 131 -3.359 7.650 11.419 1.00 52.24 C ATOM 2066 OH TYR A 131 -2.699 8.520 12.260 1.00 43.21 O ATOM 0 H TYR A 131 -7.435 6.359 9.081 1.00 24.23 H new ATOM 0 HA TYR A 131 -5.393 6.297 7.120 1.00 12.34 H new ATOM 0 HB2 TYR A 131 -6.150 4.372 9.348 1.00 34.43 H new ATOM 0 HB3 TYR A 131 -4.695 4.215 8.384 1.00 34.43 H new ATOM 0 HD1 TYR A 131 -2.843 5.846 8.629 1.00 71.13 H new ATOM 0 HD2 TYR A 131 -6.354 6.166 11.031 1.00 73.20 H new ATOM 0 HE1 TYR A 131 -1.676 7.396 10.132 1.00 54.33 H new ATOM 0 HE2 TYR A 131 -5.180 7.711 12.536 1.00 70.44 H new ATOM 0 HH TYR A 131 -2.813 8.227 13.188 1.00 43.21 H new ATOM 2076 N ALA A 132 -7.827 4.142 6.731 1.00 64.33 N ATOM 2077 CA ALA A 132 -8.433 3.200 5.782 1.00 35.13 C ATOM 2078 C ALA A 132 -8.764 3.885 4.444 1.00 51.34 C ATOM 2079 O ALA A 132 -8.390 3.400 3.372 1.00 64.22 O ATOM 2080 CB ALA A 132 -9.690 2.581 6.387 1.00 62.11 C ATOM 0 H ALA A 132 -8.432 4.397 7.511 1.00 64.33 H new ATOM 0 HA ALA A 132 -7.708 2.411 5.581 1.00 35.13 H new ATOM 0 HB1 ALA A 132 -10.131 1.884 5.675 1.00 62.11 H new ATOM 0 HB2 ALA A 132 -9.429 2.049 7.302 1.00 62.11 H new ATOM 0 HB3 ALA A 132 -10.408 3.368 6.617 1.00 62.11 H new ATOM 2086 N GLU A 133 -9.461 5.017 4.521 1.00 10.54 N ATOM 2087 CA GLU A 133 -9.819 5.811 3.336 1.00 11.42 C ATOM 2088 C GLU A 133 -8.574 6.224 2.534 1.00 52.54 C ATOM 2089 O GLU A 133 -8.567 6.156 1.298 1.00 64.51 O ATOM 2090 CB GLU A 133 -10.614 7.064 3.754 1.00 52.53 C ATOM 2091 CG GLU A 133 -12.057 6.791 4.192 1.00 41.31 C ATOM 2092 CD GLU A 133 -12.179 5.695 5.242 1.00 12.24 C ATOM 2093 OE1 GLU A 133 -11.544 5.817 6.312 1.00 45.22 O ATOM 2094 OE2 GLU A 133 -12.921 4.713 5.005 1.00 74.21 O ATOM 0 H GLU A 133 -9.795 5.413 5.400 1.00 10.54 H new ATOM 0 HA GLU A 133 -10.440 5.186 2.695 1.00 11.42 H new ATOM 0 HB2 GLU A 133 -10.087 7.555 4.572 1.00 52.53 H new ATOM 0 HB3 GLU A 133 -10.629 7.764 2.918 1.00 52.53 H new ATOM 0 HG2 GLU A 133 -12.488 7.711 4.587 1.00 41.31 H new ATOM 0 HG3 GLU A 133 -12.646 6.513 3.318 1.00 41.31 H new ATOM 2101 N GLY A 134 -7.524 6.641 3.244 1.00 32.31 N ATOM 2102 CA GLY A 134 -6.269 7.018 2.598 1.00 23.35 C ATOM 2103 C GLY A 134 -5.667 5.893 1.760 1.00 62.24 C ATOM 2104 O GLY A 134 -5.352 6.083 0.584 1.00 14.41 O ATOM 0 H GLY A 134 -7.519 6.725 4.260 1.00 32.31 H new ATOM 0 HA2 GLY A 134 -6.441 7.886 1.961 1.00 23.35 H new ATOM 0 HA3 GLY A 134 -5.551 7.320 3.360 1.00 23.35 H new ATOM 2108 N LEU A 135 -5.515 4.714 2.365 1.00 60.03 N ATOM 2109 CA LEU A 135 -4.978 3.542 1.660 1.00 24.44 C ATOM 2110 C LEU A 135 -5.892 3.114 0.500 1.00 53.14 C ATOM 2111 O LEU A 135 -5.419 2.748 -0.576 1.00 11.45 O ATOM 2112 CB LEU A 135 -4.796 2.369 2.634 1.00 40.02 C ATOM 2113 CG LEU A 135 -3.780 2.599 3.765 1.00 1.34 C ATOM 2114 CD1 LEU A 135 -3.729 1.393 4.698 1.00 40.22 C ATOM 2115 CD2 LEU A 135 -2.394 2.904 3.198 1.00 64.34 C ATOM 0 H LEU A 135 -5.755 4.542 3.341 1.00 60.03 H new ATOM 0 HA LEU A 135 -4.010 3.824 1.246 1.00 24.44 H new ATOM 0 HB2 LEU A 135 -5.763 2.136 3.080 1.00 40.02 H new ATOM 0 HB3 LEU A 135 -4.488 1.492 2.065 1.00 40.02 H new ATOM 0 HG LEU A 135 -4.106 3.464 4.343 1.00 1.34 H new ATOM 0 HD11 LEU A 135 -3.004 1.577 5.491 1.00 40.22 H new ATOM 0 HD12 LEU A 135 -4.713 1.231 5.137 1.00 40.22 H new ATOM 0 HD13 LEU A 135 -3.433 0.509 4.134 1.00 40.22 H new ATOM 0 HD21 LEU A 135 -1.693 3.063 4.017 1.00 64.34 H new ATOM 0 HD22 LEU A 135 -2.057 2.065 2.590 1.00 64.34 H new ATOM 0 HD23 LEU A 135 -2.442 3.802 2.582 1.00 64.34 H new ATOM 2127 N SER A 136 -7.205 3.171 0.727 1.00 11.34 N ATOM 2128 CA SER A 136 -8.186 2.757 -0.289 1.00 61.15 C ATOM 2129 C SER A 136 -8.084 3.599 -1.570 1.00 13.22 C ATOM 2130 O SER A 136 -8.133 3.060 -2.682 1.00 35.11 O ATOM 2131 CB SER A 136 -9.616 2.836 0.264 1.00 25.30 C ATOM 2132 OG SER A 136 -10.559 2.413 -0.710 1.00 22.13 O ATOM 0 H SER A 136 -7.617 3.498 1.601 1.00 11.34 H new ATOM 0 HA SER A 136 -7.953 1.723 -0.543 1.00 61.15 H new ATOM 0 HB2 SER A 136 -9.701 2.212 1.154 1.00 25.30 H new ATOM 0 HB3 SER A 136 -9.836 3.859 0.569 1.00 25.30 H new ATOM 0 HG SER A 136 -11.463 2.470 -0.336 1.00 22.13 H new ATOM 2138 N GLU A 137 -7.949 4.919 -1.419 1.00 13.54 N ATOM 2139 CA GLU A 137 -7.780 5.808 -2.579 1.00 51.15 C ATOM 2140 C GLU A 137 -6.362 5.711 -3.160 1.00 73.44 C ATOM 2141 O GLU A 137 -6.164 5.927 -4.355 1.00 15.51 O ATOM 2142 CB GLU A 137 -8.120 7.265 -2.225 1.00 31.30 C ATOM 2143 CG GLU A 137 -9.602 7.487 -1.925 1.00 52.22 C ATOM 2144 CD GLU A 137 -10.023 8.945 -2.046 1.00 44.03 C ATOM 2145 OE1 GLU A 137 -10.118 9.443 -3.188 1.00 15.51 O ATOM 2146 OE2 GLU A 137 -10.256 9.603 -1.009 1.00 35.11 O ATOM 0 H GLU A 137 -7.953 5.395 -0.517 1.00 13.54 H new ATOM 0 HA GLU A 137 -8.481 5.473 -3.343 1.00 51.15 H new ATOM 0 HB2 GLU A 137 -7.532 7.567 -1.358 1.00 31.30 H new ATOM 0 HB3 GLU A 137 -7.824 7.911 -3.052 1.00 31.30 H new ATOM 0 HG2 GLU A 137 -10.199 6.884 -2.609 1.00 52.22 H new ATOM 0 HG3 GLU A 137 -9.819 7.135 -0.917 1.00 52.22 H new ATOM 2153 N GLY A 138 -5.379 5.391 -2.314 1.00 14.31 N ATOM 2154 CA GLY A 138 -4.031 5.114 -2.807 1.00 25.12 C ATOM 2155 C GLY A 138 -4.009 3.936 -3.779 1.00 40.25 C ATOM 2156 O GLY A 138 -3.443 4.021 -4.873 1.00 43.44 O ATOM 0 H GLY A 138 -5.489 5.319 -1.303 1.00 14.31 H new ATOM 0 HA2 GLY A 138 -3.637 6.001 -3.303 1.00 25.12 H new ATOM 0 HA3 GLY A 138 -3.373 4.901 -1.964 1.00 25.12 H new ATOM 2160 N VAL A 139 -4.641 2.834 -3.373 1.00 2.10 N ATOM 2161 CA VAL A 139 -4.837 1.673 -4.246 1.00 12.44 C ATOM 2162 C VAL A 139 -5.559 2.069 -5.544 1.00 33.22 C ATOM 2163 O VAL A 139 -5.125 1.721 -6.646 1.00 64.14 O ATOM 2164 CB VAL A 139 -5.663 0.572 -3.528 1.00 54.53 C ATOM 2165 CG1 VAL A 139 -6.009 -0.570 -4.485 1.00 5.32 C ATOM 2166 CG2 VAL A 139 -4.913 0.047 -2.303 1.00 72.25 C ATOM 0 H VAL A 139 -5.029 2.720 -2.437 1.00 2.10 H new ATOM 0 HA VAL A 139 -3.848 1.285 -4.489 1.00 12.44 H new ATOM 0 HB VAL A 139 -6.598 1.019 -3.191 1.00 54.53 H new ATOM 0 HG11 VAL A 139 -6.588 -1.326 -3.955 1.00 5.32 H new ATOM 0 HG12 VAL A 139 -6.596 -0.182 -5.318 1.00 5.32 H new ATOM 0 HG13 VAL A 139 -5.090 -1.017 -4.866 1.00 5.32 H new ATOM 0 HG21 VAL A 139 -5.509 -0.724 -1.814 1.00 72.25 H new ATOM 0 HG22 VAL A 139 -3.958 -0.376 -2.615 1.00 72.25 H new ATOM 0 HG23 VAL A 139 -4.737 0.866 -1.606 1.00 72.25 H new ATOM 2176 N LEU A 140 -6.663 2.802 -5.398 1.00 71.50 N ATOM 2177 CA LEU A 140 -7.450 3.264 -6.549 1.00 51.00 C ATOM 2178 C LEU A 140 -6.602 4.121 -7.504 1.00 2.53 C ATOM 2179 O LEU A 140 -6.707 3.996 -8.723 1.00 54.03 O ATOM 2180 CB LEU A 140 -8.672 4.065 -6.067 1.00 73.30 C ATOM 2181 CG LEU A 140 -9.626 4.548 -7.175 1.00 75.21 C ATOM 2182 CD1 LEU A 140 -10.201 3.368 -7.955 1.00 21.41 C ATOM 2183 CD2 LEU A 140 -10.745 5.404 -6.586 1.00 30.03 C ATOM 0 H LEU A 140 -7.036 3.091 -4.493 1.00 71.50 H new ATOM 0 HA LEU A 140 -7.787 2.385 -7.097 1.00 51.00 H new ATOM 0 HB2 LEU A 140 -9.237 3.448 -5.369 1.00 73.30 H new ATOM 0 HB3 LEU A 140 -8.319 4.934 -5.511 1.00 73.30 H new ATOM 0 HG LEU A 140 -9.054 5.163 -7.870 1.00 75.21 H new ATOM 0 HD11 LEU A 140 -10.871 3.737 -8.731 1.00 21.41 H new ATOM 0 HD12 LEU A 140 -9.389 2.805 -8.415 1.00 21.41 H new ATOM 0 HD13 LEU A 140 -10.754 2.718 -7.277 1.00 21.41 H new ATOM 0 HD21 LEU A 140 -11.408 5.736 -7.385 1.00 30.03 H new ATOM 0 HD22 LEU A 140 -11.312 4.816 -5.864 1.00 30.03 H new ATOM 0 HD23 LEU A 140 -10.315 6.273 -6.088 1.00 30.03 H new ATOM 2195 N ALA A 141 -5.756 4.981 -6.937 1.00 3.11 N ATOM 2196 CA ALA A 141 -4.884 5.855 -7.731 1.00 63.41 C ATOM 2197 C ALA A 141 -3.951 5.041 -8.641 1.00 10.03 C ATOM 2198 O ALA A 141 -3.807 5.340 -9.830 1.00 65.30 O ATOM 2199 CB ALA A 141 -4.075 6.763 -6.812 1.00 30.41 C ATOM 0 H ALA A 141 -5.654 5.093 -5.928 1.00 3.11 H new ATOM 0 HA ALA A 141 -5.516 6.470 -8.372 1.00 63.41 H new ATOM 0 HB1 ALA A 141 -3.432 7.407 -7.411 1.00 30.41 H new ATOM 0 HB2 ALA A 141 -4.753 7.377 -6.219 1.00 30.41 H new ATOM 0 HB3 ALA A 141 -3.462 6.155 -6.147 1.00 30.41 H new ATOM 2205 N VAL A 142 -3.319 4.011 -8.076 1.00 32.54 N ATOM 2206 CA VAL A 142 -2.471 3.097 -8.852 1.00 53.34 C ATOM 2207 C VAL A 142 -3.296 2.323 -9.892 1.00 41.32 C ATOM 2208 O VAL A 142 -2.914 2.223 -11.061 1.00 42.02 O ATOM 2209 CB VAL A 142 -1.736 2.090 -7.928 1.00 0.34 C ATOM 2210 CG1 VAL A 142 -0.916 1.088 -8.745 1.00 23.32 C ATOM 2211 CG2 VAL A 142 -0.851 2.827 -6.924 1.00 50.03 C ATOM 0 H VAL A 142 -3.377 3.786 -7.083 1.00 32.54 H new ATOM 0 HA VAL A 142 -1.731 3.709 -9.368 1.00 53.34 H new ATOM 0 HB VAL A 142 -2.489 1.530 -7.374 1.00 0.34 H new ATOM 0 HG11 VAL A 142 -0.412 0.395 -8.071 1.00 23.32 H new ATOM 0 HG12 VAL A 142 -1.578 0.532 -9.409 1.00 23.32 H new ATOM 0 HG13 VAL A 142 -0.173 1.623 -9.337 1.00 23.32 H new ATOM 0 HG21 VAL A 142 -0.344 2.103 -6.286 1.00 50.03 H new ATOM 0 HG22 VAL A 142 -0.110 3.420 -7.459 1.00 50.03 H new ATOM 0 HG23 VAL A 142 -1.467 3.484 -6.310 1.00 50.03 H new ATOM 2221 N GLN A 143 -4.431 1.776 -9.454 1.00 61.32 N ATOM 2222 CA GLN A 143 -5.352 1.057 -10.346 1.00 22.45 C ATOM 2223 C GLN A 143 -5.713 1.896 -11.588 1.00 50.24 C ATOM 2224 O GLN A 143 -5.688 1.397 -12.717 1.00 1.11 O ATOM 2225 CB GLN A 143 -6.628 0.671 -9.577 1.00 51.44 C ATOM 2226 CG GLN A 143 -7.673 -0.055 -10.422 1.00 53.12 C ATOM 2227 CD GLN A 143 -8.888 -0.498 -9.619 1.00 32.30 C ATOM 2228 OE1 GLN A 143 -9.260 0.122 -8.628 1.00 72.42 O ATOM 2229 NE2 GLN A 143 -9.518 -1.577 -10.043 1.00 62.32 N ATOM 0 H GLN A 143 -4.739 1.816 -8.482 1.00 61.32 H new ATOM 0 HA GLN A 143 -4.848 0.155 -10.693 1.00 22.45 H new ATOM 0 HB2 GLN A 143 -6.353 0.036 -8.735 1.00 51.44 H new ATOM 0 HB3 GLN A 143 -7.076 1.574 -9.162 1.00 51.44 H new ATOM 0 HG2 GLN A 143 -7.998 0.601 -11.229 1.00 53.12 H new ATOM 0 HG3 GLN A 143 -7.214 -0.928 -10.886 1.00 53.12 H new ATOM 0 HE21 GLN A 143 -9.184 -2.071 -10.871 1.00 62.32 H new ATOM 0 HE22 GLN A 143 -10.339 -1.918 -9.543 1.00 62.32 H new ATOM 2238 N GLN A 144 -6.035 3.173 -11.370 1.00 55.34 N ATOM 2239 CA GLN A 144 -6.360 4.096 -12.467 1.00 52.21 C ATOM 2240 C GLN A 144 -5.191 4.227 -13.457 1.00 42.43 C ATOM 2241 O GLN A 144 -5.389 4.236 -14.674 1.00 44.23 O ATOM 2242 CB GLN A 144 -6.735 5.482 -11.912 1.00 22.34 C ATOM 2243 CG GLN A 144 -8.028 5.499 -11.096 1.00 50.32 C ATOM 2244 CD GLN A 144 -9.248 5.114 -11.917 1.00 34.50 C ATOM 2245 OE1 GLN A 144 -9.303 5.345 -13.119 1.00 2.15 O ATOM 2246 NE2 GLN A 144 -10.242 4.536 -11.277 1.00 73.14 N ATOM 0 H GLN A 144 -6.079 3.595 -10.442 1.00 55.34 H new ATOM 0 HA GLN A 144 -7.214 3.682 -13.003 1.00 52.21 H new ATOM 0 HB2 GLN A 144 -5.919 5.844 -11.287 1.00 22.34 H new ATOM 0 HB3 GLN A 144 -6.834 6.180 -12.743 1.00 22.34 H new ATOM 0 HG2 GLN A 144 -7.930 4.813 -10.255 1.00 50.32 H new ATOM 0 HG3 GLN A 144 -8.176 6.495 -10.679 1.00 50.32 H new ATOM 0 HE21 GLN A 144 -10.168 4.356 -10.276 1.00 73.14 H new ATOM 0 HE22 GLN A 144 -11.087 4.268 -11.782 1.00 73.14 H new ATOM 2255 N VAL A 145 -3.970 4.319 -12.930 1.00 23.12 N ATOM 2256 CA VAL A 145 -2.772 4.403 -13.772 1.00 11.52 C ATOM 2257 C VAL A 145 -2.628 3.154 -14.660 1.00 54.15 C ATOM 2258 O VAL A 145 -2.463 3.259 -15.875 1.00 25.03 O ATOM 2259 CB VAL A 145 -1.484 4.578 -12.923 1.00 4.55 C ATOM 2260 CG1 VAL A 145 -0.240 4.599 -13.815 1.00 25.15 C ATOM 2261 CG2 VAL A 145 -1.564 5.849 -12.075 1.00 44.44 C ATOM 0 H VAL A 145 -3.782 4.337 -11.928 1.00 23.12 H new ATOM 0 HA VAL A 145 -2.896 5.282 -14.405 1.00 11.52 H new ATOM 0 HB VAL A 145 -1.403 3.723 -12.251 1.00 4.55 H new ATOM 0 HG11 VAL A 145 0.649 4.723 -13.197 1.00 25.15 H new ATOM 0 HG12 VAL A 145 -0.171 3.661 -14.366 1.00 25.15 H new ATOM 0 HG13 VAL A 145 -0.311 5.428 -14.519 1.00 25.15 H new ATOM 0 HG21 VAL A 145 -0.652 5.953 -11.488 1.00 44.44 H new ATOM 0 HG22 VAL A 145 -1.676 6.715 -12.727 1.00 44.44 H new ATOM 0 HG23 VAL A 145 -2.421 5.786 -11.405 1.00 44.44 H new ATOM 2271 N LEU A 146 -2.711 1.975 -14.047 1.00 71.12 N ATOM 2272 CA LEU A 146 -2.563 0.706 -14.775 1.00 11.15 C ATOM 2273 C LEU A 146 -3.636 0.542 -15.865 1.00 44.41 C ATOM 2274 O LEU A 146 -3.317 0.371 -17.044 1.00 72.51 O ATOM 2275 CB LEU A 146 -2.631 -0.475 -13.793 1.00 4.00 C ATOM 2276 CG LEU A 146 -1.560 -0.475 -12.687 1.00 44.44 C ATOM 2277 CD1 LEU A 146 -1.786 -1.630 -11.714 1.00 12.21 C ATOM 2278 CD2 LEU A 146 -0.157 -0.546 -13.292 1.00 31.44 C ATOM 0 H LEU A 146 -2.880 1.867 -13.047 1.00 71.12 H new ATOM 0 HA LEU A 146 -1.590 0.720 -15.266 1.00 11.15 H new ATOM 0 HB2 LEU A 146 -3.615 -0.479 -13.323 1.00 4.00 H new ATOM 0 HB3 LEU A 146 -2.544 -1.402 -14.359 1.00 4.00 H new ATOM 0 HG LEU A 146 -1.646 0.459 -12.132 1.00 44.44 H new ATOM 0 HD11 LEU A 146 -1.018 -1.610 -10.941 1.00 12.21 H new ATOM 0 HD12 LEU A 146 -2.768 -1.530 -11.252 1.00 12.21 H new ATOM 0 HD13 LEU A 146 -1.734 -2.576 -12.253 1.00 12.21 H new ATOM 0 HD21 LEU A 146 0.584 -0.545 -12.493 1.00 31.44 H new ATOM 0 HD22 LEU A 146 -0.059 -1.461 -13.877 1.00 31.44 H new ATOM 0 HD23 LEU A 146 0.005 0.317 -13.938 1.00 31.44 H new ATOM 2290 N ASP A 147 -4.906 0.616 -15.467 1.00 51.45 N ATOM 2291 CA ASP A 147 -6.030 0.391 -16.387 1.00 41.11 C ATOM 2292 C ASP A 147 -6.013 1.375 -17.576 1.00 51.30 C ATOM 2293 O ASP A 147 -6.390 1.021 -18.695 1.00 33.21 O ATOM 2294 CB ASP A 147 -7.358 0.493 -15.620 1.00 1.05 C ATOM 2295 CG ASP A 147 -8.548 0.045 -16.451 1.00 62.31 C ATOM 2296 OD1 ASP A 147 -8.612 -1.152 -16.806 1.00 64.32 O ATOM 2297 OD2 ASP A 147 -9.426 0.880 -16.756 1.00 22.43 O ATOM 0 H ASP A 147 -5.187 0.831 -14.510 1.00 51.45 H new ATOM 0 HA ASP A 147 -5.927 -0.612 -16.802 1.00 41.11 H new ATOM 0 HB2 ASP A 147 -7.300 -0.116 -14.718 1.00 1.05 H new ATOM 0 HB3 ASP A 147 -7.510 1.524 -15.300 1.00 1.05 H new ATOM 2302 N GLY A 148 -5.558 2.603 -17.330 1.00 31.01 N ATOM 2303 CA GLY A 148 -5.480 3.606 -18.390 1.00 32.35 C ATOM 2304 C GLY A 148 -4.176 3.557 -19.188 1.00 53.14 C ATOM 2305 O GLY A 148 -4.015 4.291 -20.163 1.00 70.23 O ATOM 0 H GLY A 148 -5.241 2.925 -16.415 1.00 31.01 H new ATOM 0 HA2 GLY A 148 -6.319 3.467 -19.072 1.00 32.35 H new ATOM 0 HA3 GLY A 148 -5.589 4.597 -17.949 1.00 32.35 H new ATOM 2309 N SER A 149 -3.243 2.692 -18.784 1.00 72.31 N ATOM 2310 CA SER A 149 -1.933 2.591 -19.457 1.00 0.12 C ATOM 2311 C SER A 149 -1.676 1.178 -20.006 1.00 74.02 C ATOM 2312 O SER A 149 -0.527 0.783 -20.215 1.00 63.22 O ATOM 2313 CB SER A 149 -0.811 2.976 -18.483 1.00 30.44 C ATOM 2314 OG SER A 149 -0.998 4.284 -17.962 1.00 3.13 O ATOM 0 H SER A 149 -3.363 2.052 -17.999 1.00 72.31 H new ATOM 0 HA SER A 149 -1.945 3.281 -20.301 1.00 0.12 H new ATOM 0 HB2 SER A 149 -0.778 2.258 -17.663 1.00 30.44 H new ATOM 0 HB3 SER A 149 0.150 2.921 -18.994 1.00 30.44 H new ATOM 0 HG SER A 149 -1.534 4.236 -17.143 1.00 3.13 H new ATOM 2320 N LEU A 150 -2.752 0.436 -20.273 1.00 5.33 N ATOM 2321 CA LEU A 150 -2.658 -0.948 -20.782 1.00 32.15 C ATOM 2322 C LEU A 150 -2.236 -1.011 -22.267 1.00 52.10 C ATOM 2323 O LEU A 150 -2.783 -1.797 -23.042 1.00 31.25 O ATOM 2324 CB LEU A 150 -4.009 -1.662 -20.598 1.00 32.12 C ATOM 2325 CG LEU A 150 -4.441 -1.897 -19.142 1.00 31.11 C ATOM 2326 CD1 LEU A 150 -5.825 -2.545 -19.087 1.00 5.04 C ATOM 2327 CD2 LEU A 150 -3.413 -2.756 -18.409 1.00 22.33 C ATOM 0 H LEU A 150 -3.709 0.767 -20.147 1.00 5.33 H new ATOM 0 HA LEU A 150 -1.882 -1.450 -20.204 1.00 32.15 H new ATOM 0 HB2 LEU A 150 -4.781 -1.076 -21.097 1.00 32.12 H new ATOM 0 HB3 LEU A 150 -3.963 -2.626 -21.105 1.00 32.12 H new ATOM 0 HG LEU A 150 -4.498 -0.930 -18.642 1.00 31.11 H new ATOM 0 HD11 LEU A 150 -6.112 -2.703 -18.047 1.00 5.04 H new ATOM 0 HD12 LEU A 150 -6.552 -1.891 -19.569 1.00 5.04 H new ATOM 0 HD13 LEU A 150 -5.799 -3.503 -19.606 1.00 5.04 H new ATOM 0 HD21 LEU A 150 -3.736 -2.911 -17.380 1.00 22.33 H new ATOM 0 HD22 LEU A 150 -3.321 -3.720 -18.910 1.00 22.33 H new ATOM 0 HD23 LEU A 150 -2.447 -2.251 -18.414 1.00 22.33 H new ATOM 2339 N GLU A 151 -1.242 -0.214 -22.653 1.00 32.42 N ATOM 2340 CA GLU A 151 -0.745 -0.204 -24.035 1.00 62.14 C ATOM 2341 C GLU A 151 0.689 -0.744 -24.108 1.00 43.14 C ATOM 2342 O GLU A 151 1.284 -0.837 -25.183 1.00 60.41 O ATOM 2343 CB GLU A 151 -0.794 1.221 -24.601 1.00 53.00 C ATOM 2344 CG GLU A 151 -2.187 1.840 -24.589 1.00 3.13 C ATOM 2345 CD GLU A 151 -2.223 3.216 -25.235 1.00 24.21 C ATOM 2346 OE1 GLU A 151 -2.364 3.290 -26.476 1.00 60.11 O ATOM 2347 OE2 GLU A 151 -2.099 4.227 -24.508 1.00 44.12 O ATOM 0 H GLU A 151 -0.762 0.436 -22.030 1.00 32.42 H new ATOM 0 HA GLU A 151 -1.387 -0.852 -24.631 1.00 62.14 H new ATOM 0 HB2 GLU A 151 -0.120 1.854 -24.024 1.00 53.00 H new ATOM 0 HB3 GLU A 151 -0.421 1.208 -25.625 1.00 53.00 H new ATOM 0 HG2 GLU A 151 -2.878 1.179 -25.112 1.00 3.13 H new ATOM 0 HG3 GLU A 151 -2.537 1.917 -23.560 1.00 3.13 H new ATOM 2354 N HIS A 152 1.238 -1.105 -22.951 1.00 13.04 N ATOM 2355 CA HIS A 152 2.618 -1.587 -22.862 1.00 3.13 C ATOM 2356 C HIS A 152 2.663 -3.081 -22.505 1.00 10.51 C ATOM 2357 O HIS A 152 2.098 -3.508 -21.501 1.00 61.24 O ATOM 2358 CB HIS A 152 3.388 -0.775 -21.817 1.00 51.31 C ATOM 2359 CG HIS A 152 3.306 0.707 -22.022 1.00 62.20 C ATOM 2360 ND1 HIS A 152 4.053 1.381 -22.960 1.00 72.34 N ATOM 2361 CD2 HIS A 152 2.548 1.645 -21.406 1.00 11.54 C ATOM 2362 CE1 HIS A 152 3.765 2.666 -22.908 1.00 74.34 C ATOM 2363 NE2 HIS A 152 2.856 2.854 -21.976 1.00 4.25 N ATOM 0 H HIS A 152 0.748 -1.073 -22.057 1.00 13.04 H new ATOM 0 HA HIS A 152 3.087 -1.458 -23.838 1.00 3.13 H new ATOM 0 HB2 HIS A 152 3.003 -1.017 -20.826 1.00 51.31 H new ATOM 0 HB3 HIS A 152 4.435 -1.077 -21.835 1.00 51.31 H new ATOM 0 HD2 HIS A 152 1.834 1.473 -20.614 1.00 11.54 H new ATOM 0 HE1 HIS A 152 4.202 3.436 -23.527 1.00 74.34 H new ATOM 0 HE2 HIS A 152 2.447 3.752 -21.719 1.00 4.25 H new ATOM 2372 N HIS A 153 3.334 -3.865 -23.341 1.00 24.52 N ATOM 2373 CA HIS A 153 3.500 -5.303 -23.105 1.00 75.02 C ATOM 2374 C HIS A 153 4.851 -5.789 -23.649 1.00 35.45 C ATOM 2375 O HIS A 153 5.091 -5.779 -24.858 1.00 13.01 O ATOM 2376 CB HIS A 153 2.343 -6.094 -23.739 1.00 45.05 C ATOM 2377 CG HIS A 153 2.065 -5.736 -25.169 1.00 34.31 C ATOM 2378 ND1 HIS A 153 2.738 -6.293 -26.236 1.00 15.14 N ATOM 2379 CD2 HIS A 153 1.174 -4.867 -25.708 1.00 13.44 C ATOM 2380 CE1 HIS A 153 2.273 -5.786 -27.361 1.00 33.53 C ATOM 2381 NE2 HIS A 153 1.327 -4.919 -27.069 1.00 34.21 N ATOM 0 H HIS A 153 3.777 -3.530 -24.196 1.00 24.52 H new ATOM 0 HA HIS A 153 3.483 -5.477 -22.029 1.00 75.02 H new ATOM 0 HB2 HIS A 153 2.570 -7.158 -23.680 1.00 45.05 H new ATOM 0 HB3 HIS A 153 1.440 -5.928 -23.152 1.00 45.05 H new ATOM 0 HD1 HIS A 153 3.480 -6.989 -26.166 1.00 15.14 H new ATOM 0 HD2 HIS A 153 0.474 -4.249 -25.166 1.00 13.44 H new ATOM 0 HE1 HIS A 153 2.612 -6.040 -28.355 1.00 33.53 H new ATOM 2390 N HIS A 154 5.734 -6.213 -22.748 1.00 4.10 N ATOM 2391 CA HIS A 154 7.086 -6.643 -23.126 1.00 40.25 C ATOM 2392 C HIS A 154 7.046 -7.974 -23.906 1.00 13.43 C ATOM 2393 O HIS A 154 8.003 -8.336 -24.595 1.00 14.03 O ATOM 2394 CB HIS A 154 7.949 -6.765 -21.861 1.00 33.21 C ATOM 2395 CG HIS A 154 9.421 -6.841 -22.116 1.00 72.53 C ATOM 2396 ND1 HIS A 154 10.202 -5.729 -22.329 1.00 64.33 N ATOM 2397 CD2 HIS A 154 10.263 -7.899 -22.156 1.00 1.14 C ATOM 2398 CE1 HIS A 154 11.454 -6.096 -22.493 1.00 15.51 C ATOM 2399 NE2 HIS A 154 11.520 -7.406 -22.392 1.00 50.01 N ATOM 0 H HIS A 154 5.541 -6.270 -21.748 1.00 4.10 H new ATOM 0 HA HIS A 154 7.528 -5.898 -23.787 1.00 40.25 H new ATOM 0 HB2 HIS A 154 7.749 -5.909 -21.217 1.00 33.21 H new ATOM 0 HB3 HIS A 154 7.642 -7.655 -21.312 1.00 33.21 H new ATOM 0 HD2 HIS A 154 9.995 -8.937 -22.026 1.00 1.14 H new ATOM 0 HE1 HIS A 154 12.287 -5.434 -22.679 1.00 15.51 H new ATOM 0 HE2 HIS A 154 12.369 -7.965 -22.476 1.00 50.01 H new ATOM 2408 N HIS A 155 5.922 -8.688 -23.799 1.00 65.41 N ATOM 2409 CA HIS A 155 5.693 -9.926 -24.560 1.00 24.35 C ATOM 2410 C HIS A 155 4.358 -9.855 -25.322 1.00 40.10 C ATOM 2411 O HIS A 155 3.545 -8.963 -25.078 1.00 50.25 O ATOM 2412 CB HIS A 155 5.692 -11.145 -23.623 1.00 75.52 C ATOM 2413 CG HIS A 155 4.538 -11.183 -22.659 1.00 52.31 C ATOM 2414 ND1 HIS A 155 3.535 -12.129 -22.719 1.00 11.22 N ATOM 2415 CD2 HIS A 155 4.226 -10.386 -21.608 1.00 74.50 C ATOM 2416 CE1 HIS A 155 2.665 -11.911 -21.754 1.00 54.12 C ATOM 2417 NE2 HIS A 155 3.060 -10.863 -21.067 1.00 14.42 N ATOM 0 H HIS A 155 5.148 -8.429 -23.187 1.00 65.41 H new ATOM 0 HA HIS A 155 6.505 -10.034 -25.279 1.00 24.35 H new ATOM 0 HB2 HIS A 155 5.676 -12.053 -24.226 1.00 75.52 H new ATOM 0 HB3 HIS A 155 6.624 -11.155 -23.057 1.00 75.52 H new ATOM 0 HD1 HIS A 155 3.476 -12.881 -23.405 1.00 11.22 H new ATOM 0 HD2 HIS A 155 4.791 -9.533 -21.261 1.00 74.50 H new ATOM 0 HE1 HIS A 155 1.777 -12.495 -21.560 1.00 54.12 H new ATOM 2426 N HIS A 156 4.131 -10.799 -26.237 1.00 52.13 N ATOM 2427 CA HIS A 156 2.851 -10.881 -26.953 1.00 13.04 C ATOM 2428 C HIS A 156 1.897 -11.832 -26.215 1.00 45.54 C ATOM 2429 O HIS A 156 0.819 -11.435 -25.770 1.00 55.35 O ATOM 2430 CB HIS A 156 3.073 -11.357 -28.396 1.00 5.51 C ATOM 2431 CG HIS A 156 4.004 -10.485 -29.182 1.00 60.14 C ATOM 2432 ND1 HIS A 156 3.571 -9.506 -30.050 1.00 5.03 N ATOM 2433 CD2 HIS A 156 5.358 -10.458 -29.239 1.00 12.44 C ATOM 2434 CE1 HIS A 156 4.612 -8.920 -30.606 1.00 61.01 C ATOM 2435 NE2 HIS A 156 5.706 -9.477 -30.132 1.00 72.30 N ATOM 0 H HIS A 156 4.809 -11.514 -26.500 1.00 52.13 H new ATOM 0 HA HIS A 156 2.402 -9.888 -26.985 1.00 13.04 H new ATOM 0 HB2 HIS A 156 3.469 -12.372 -28.377 1.00 5.51 H new ATOM 0 HB3 HIS A 156 2.111 -11.400 -28.907 1.00 5.51 H new ATOM 0 HD2 HIS A 156 6.036 -11.091 -28.685 1.00 12.44 H new ATOM 0 HE1 HIS A 156 4.574 -8.118 -31.329 1.00 61.01 H new ATOM 0 HE2 HIS A 156 6.660 -9.220 -30.388 1.00 72.30 H new ATOM 2444 N HIS A 157 2.312 -13.089 -26.084 1.00 43.44 N ATOM 2445 CA HIS A 157 1.570 -14.094 -25.311 1.00 63.22 C ATOM 2446 C HIS A 157 2.540 -15.035 -24.574 1.00 21.32 C ATOM 2447 O HIS A 157 2.858 -14.758 -23.396 1.00 38.52 O ATOM 2448 CB HIS A 157 0.627 -14.899 -26.220 1.00 72.53 C ATOM 2449 CG HIS A 157 -0.516 -14.098 -26.770 1.00 1.42 C ATOM 2450 ND1 HIS A 157 -0.540 -13.590 -28.054 1.00 33.43 N ATOM 2451 CD2 HIS A 157 -1.680 -13.705 -26.196 1.00 50.31 C ATOM 2452 CE1 HIS A 157 -1.662 -12.924 -28.241 1.00 24.34 C ATOM 2453 NE2 HIS A 157 -2.368 -12.980 -27.134 1.00 13.42 N ATOM 2454 OXT HIS A 157 2.998 -16.026 -25.184 1.00 38.52 O ATOM 0 H HIS A 157 3.169 -13.444 -26.508 1.00 43.44 H new ATOM 0 HA HIS A 157 0.965 -13.571 -24.570 1.00 63.22 H new ATOM 0 HB2 HIS A 157 1.202 -15.311 -27.049 1.00 72.53 H new ATOM 0 HB3 HIS A 157 0.229 -15.743 -25.657 1.00 72.53 H new ATOM 0 HD2 HIS A 157 -2.004 -13.922 -25.189 1.00 50.31 H new ATOM 0 HE1 HIS A 157 -1.952 -12.418 -29.150 1.00 24.34 H new ATOM 0 HE2 HIS A 157 -3.283 -12.552 -26.995 1.00 13.42 H new TER 2463 HIS A 157