USER MOD reduce.3.24.130724 H: found=0, std=0, add=1233, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1227 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 89 TYR OH : rot 112:sc= 0.383 USER MOD Set 1.2: A 124 SER OG : rot 178:sc= 0.503 USER MOD Set 2.1: A 99 ASN : amide:sc= -0.105 K(o=0.038,f=-0.77) USER MOD Set 2.2: A 101 TYR OH : rot 95:sc= 0.143 USER MOD Set 3.1: A 100 ASN : amide:sc= 0.345 K(o=1.1,f=-1.1) USER MOD Set 3.2: A 102 LYS NZ :NH3+ 168:sc= 0.8 (180deg=0.462) USER MOD Set 4.1: A 74 ASN : amide:sc= 0.659 K(o=1.4,f=-3.4) USER MOD Set 4.2: A 75 LYS NZ :NH3+ 175:sc= 0.75 (180deg=0) USER MOD Set 5.1: A 26 LYS NZ :NH3+ -143:sc= 0.169 (180deg=0) USER MOD Set 5.2: A 72 ASN : amide:sc= -0.998 X(o=-0.83,f=-0.39) USER MOD Set 6.1: A 24 ASN : amide:sc= -1.56 K(o=-1.5,f=-3.3) USER MOD Set 6.2: A 25 SER OG : rot 180:sc= 0.0438 USER MOD Single : A 1 ALA N :NH3+ -112:sc= -1.2! (180deg=-4.76!) USER MOD Single : A 3 SER OG : rot 29:sc= 0.733 USER MOD Single : A 4 TYR OH : rot -149:sc= 0.585 USER MOD Single : A 5 HIS : no HD1:sc= -0.436 X(o=-0.44,f=0.00065) USER MOD Single : A 13 THR OG1 : rot 3:sc= 1.35 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0497 USER MOD Single : A 21 ASN : amide:sc= -0.446 K(o=-0.45,f=-4.2!) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 CYS SG : rot 180:sc=-0.000536 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -111:sc= 0.57 USER MOD Single : A 48 GLN : amide:sc= 0.559 K(o=0.56,f=-3.8!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HD1:sc= -0.0704 X(o=-0.07,f=0) USER MOD Single : A 67 HIS : no HE2:sc= -0.313 K(o=-0.31,f=-1.3) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -4.65! C(o=-4.6!,f=-6.9!) USER MOD Single : A 91 SER OG : rot 120:sc= 0.146 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= 0.545 K(o=0.54,f=0) USER MOD Single : A 103 SER OG : rot 40:sc= 0.681 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 16:sc= 0.136 USER MOD Single : A 115 SER OG : rot 106:sc= 0.581 USER MOD Single : A 117 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0.0317 USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 126 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 127 HIS : no HD1:sc= -0.0566 X(o=-0.057,f=0) USER MOD Single : A 130 THR OG1 : rot 81:sc= 0.63 USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 135 THR OG1 : rot 2:sc= 0.723 USER MOD Single : A 142 TYR OH : rot 180:sc= -0.171 USER MOD Single : A 143 CYS SG : rot 38:sc= 0.254 USER MOD Single : A 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 147 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 150 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 151 THR OG1 : rot 78:sc= 0.785 USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -14.177 -9.102 10.817 1.00 3.01 N ATOM 2 CA ALA A 1 -15.214 -9.629 9.931 1.00 3.50 C ATOM 3 C ALA A 1 -14.708 -9.525 8.502 1.00 2.40 C ATOM 4 O ALA A 1 -14.753 -8.443 7.929 1.00 3.06 O ATOM 5 CB ALA A 1 -16.580 -8.946 10.094 1.00 5.62 C ATOM 0 H1 ALA A 1 -13.780 -9.877 11.386 1.00 3.01 H new ATOM 0 H2 ALA A 1 -13.422 -8.669 10.248 1.00 3.01 H new ATOM 0 H3 ALA A 1 -14.590 -8.385 11.447 1.00 3.01 H new ATOM 0 HA ALA A 1 -15.396 -10.669 10.203 1.00 3.50 H new ATOM 0 HB1 ALA A 1 -17.295 -9.393 9.403 1.00 5.62 H new ATOM 0 HB2 ALA A 1 -16.933 -9.078 11.117 1.00 5.62 H new ATOM 0 HB3 ALA A 1 -16.483 -7.882 9.878 1.00 5.62 H new ATOM 11 N PRO A 2 -14.159 -10.609 7.956 1.00 2.55 N ATOM 12 CA PRO A 2 -13.329 -10.537 6.770 1.00 2.95 C ATOM 13 C PRO A 2 -14.161 -10.307 5.515 1.00 2.27 C ATOM 14 O PRO A 2 -15.205 -10.930 5.327 1.00 2.72 O ATOM 15 CB PRO A 2 -12.614 -11.882 6.738 1.00 4.94 C ATOM 16 CG PRO A 2 -13.574 -12.842 7.432 1.00 5.60 C ATOM 17 CD PRO A 2 -14.162 -11.947 8.520 1.00 4.32 C ATOM 0 HA PRO A 2 -12.632 -9.699 6.799 1.00 2.95 H new ATOM 0 HB2 PRO A 2 -12.408 -12.197 5.715 1.00 4.94 H new ATOM 0 HB3 PRO A 2 -11.656 -11.835 7.256 1.00 4.94 H new ATOM 0 HG2 PRO A 2 -14.339 -13.220 6.753 1.00 5.60 H new ATOM 0 HG3 PRO A 2 -13.059 -13.709 7.847 1.00 5.60 H new ATOM 0 HD2 PRO A 2 -15.172 -12.260 8.784 1.00 4.32 H new ATOM 0 HD3 PRO A 2 -13.566 -11.991 9.431 1.00 4.32 H new ATOM 25 N SER A 3 -13.692 -9.421 4.637 1.00 1.97 N ATOM 26 CA SER A 3 -14.253 -9.183 3.317 1.00 1.70 C ATOM 27 C SER A 3 -13.157 -8.574 2.451 1.00 1.48 C ATOM 28 O SER A 3 -12.300 -7.853 2.961 1.00 1.52 O ATOM 29 CB SER A 3 -15.446 -8.229 3.424 1.00 2.57 C ATOM 30 OG SER A 3 -16.586 -8.950 3.840 1.00 2.77 O ATOM 0 H SER A 3 -12.884 -8.832 4.836 1.00 1.97 H new ATOM 0 HA SER A 3 -14.606 -10.114 2.873 1.00 1.70 H new ATOM 0 HB2 SER A 3 -15.226 -7.432 4.135 1.00 2.57 H new ATOM 0 HB3 SER A 3 -15.634 -7.754 2.461 1.00 2.57 H new ATOM 0 HG SER A 3 -16.308 -9.712 4.391 1.00 2.77 H new ATOM 36 N TYR A 4 -13.159 -8.868 1.150 1.00 1.35 N ATOM 37 CA TYR A 4 -12.119 -8.439 0.243 1.00 1.23 C ATOM 38 C TYR A 4 -12.803 -7.862 -0.996 1.00 1.19 C ATOM 39 O TYR A 4 -13.859 -8.364 -1.384 1.00 1.40 O ATOM 40 CB TYR A 4 -11.241 -9.645 -0.121 1.00 1.32 C ATOM 41 CG TYR A 4 -10.976 -10.681 0.970 1.00 1.62 C ATOM 42 CD1 TYR A 4 -11.220 -12.041 0.699 1.00 1.77 C ATOM 43 CD2 TYR A 4 -10.470 -10.310 2.233 1.00 2.80 C ATOM 44 CE1 TYR A 4 -10.957 -13.019 1.673 1.00 2.05 C ATOM 45 CE2 TYR A 4 -10.218 -11.284 3.222 1.00 3.16 C ATOM 46 CZ TYR A 4 -10.464 -12.649 2.943 1.00 2.42 C ATOM 47 OH TYR A 4 -10.224 -13.635 3.855 1.00 2.83 O ATOM 0 H TYR A 4 -13.894 -9.416 0.702 1.00 1.35 H new ATOM 0 HA TYR A 4 -11.479 -7.681 0.695 1.00 1.23 H new ATOM 0 HB2 TYR A 4 -11.705 -10.156 -0.964 1.00 1.32 H new ATOM 0 HB3 TYR A 4 -10.279 -9.268 -0.467 1.00 1.32 H new ATOM 0 HD1 TYR A 4 -11.612 -12.334 -0.264 1.00 1.77 H new ATOM 0 HD2 TYR A 4 -10.273 -9.269 2.445 1.00 2.80 H new ATOM 0 HE1 TYR A 4 -11.133 -14.061 1.449 1.00 2.05 H new ATOM 0 HE2 TYR A 4 -9.839 -10.989 4.189 1.00 3.16 H new ATOM 0 HH TYR A 4 -10.373 -13.288 4.759 1.00 2.83 H new ATOM 57 N HIS A 5 -12.234 -6.827 -1.615 1.00 1.10 N ATOM 58 CA HIS A 5 -12.850 -6.125 -2.729 1.00 1.10 C ATOM 59 C HIS A 5 -11.765 -5.677 -3.708 1.00 1.00 C ATOM 60 O HIS A 5 -10.600 -5.529 -3.332 1.00 1.48 O ATOM 61 CB HIS A 5 -13.651 -4.927 -2.197 1.00 1.29 C ATOM 62 CG HIS A 5 -14.803 -4.534 -3.088 1.00 1.37 C ATOM 63 ND1 HIS A 5 -16.132 -4.775 -2.820 1.00 1.56 N ATOM 64 CD2 HIS A 5 -14.730 -3.900 -4.300 1.00 1.46 C ATOM 65 CE1 HIS A 5 -16.843 -4.299 -3.856 1.00 1.62 C ATOM 66 NE2 HIS A 5 -16.034 -3.767 -4.785 1.00 1.56 N ATOM 0 H HIS A 5 -11.323 -6.453 -1.350 1.00 1.10 H new ATOM 0 HA HIS A 5 -13.536 -6.786 -3.258 1.00 1.10 H new ATOM 0 HB2 HIS A 5 -14.034 -5.167 -1.205 1.00 1.29 H new ATOM 0 HB3 HIS A 5 -12.982 -4.074 -2.083 1.00 1.29 H new ATOM 0 HD2 HIS A 5 -13.829 -3.564 -4.791 1.00 1.46 H new ATOM 0 HE1 HIS A 5 -17.920 -4.339 -3.931 1.00 1.62 H new ATOM 0 HE2 HIS A 5 -16.315 -3.348 -5.671 1.00 1.56 H new ATOM 74 N VAL A 6 -12.137 -5.482 -4.973 1.00 0.76 N ATOM 75 CA VAL A 6 -11.225 -5.123 -6.048 1.00 0.58 C ATOM 76 C VAL A 6 -11.818 -3.943 -6.810 1.00 0.70 C ATOM 77 O VAL A 6 -13.002 -3.969 -7.142 1.00 0.91 O ATOM 78 CB VAL A 6 -11.027 -6.348 -6.943 1.00 0.79 C ATOM 79 CG1 VAL A 6 -10.049 -6.060 -8.077 1.00 1.19 C ATOM 80 CG2 VAL A 6 -10.477 -7.497 -6.100 1.00 1.87 C ATOM 0 H VAL A 6 -13.105 -5.573 -5.281 1.00 0.76 H new ATOM 0 HA VAL A 6 -10.249 -4.822 -5.667 1.00 0.58 H new ATOM 0 HB VAL A 6 -11.991 -6.610 -7.378 1.00 0.79 H new ATOM 0 HG11 VAL A 6 -9.933 -6.952 -8.692 1.00 1.19 H new ATOM 0 HG12 VAL A 6 -10.432 -5.244 -8.690 1.00 1.19 H new ATOM 0 HG13 VAL A 6 -9.082 -5.778 -7.661 1.00 1.19 H new ATOM 0 HG21 VAL A 6 -10.333 -8.374 -6.731 1.00 1.87 H new ATOM 0 HG22 VAL A 6 -9.522 -7.203 -5.663 1.00 1.87 H new ATOM 0 HG23 VAL A 6 -11.183 -7.734 -5.304 1.00 1.87 H new ATOM 90 N VAL A 7 -11.029 -2.897 -7.046 1.00 0.69 N ATOM 91 CA VAL A 7 -11.512 -1.654 -7.624 1.00 0.91 C ATOM 92 C VAL A 7 -10.490 -1.135 -8.639 1.00 0.85 C ATOM 93 O VAL A 7 -9.439 -0.610 -8.288 1.00 0.98 O ATOM 94 CB VAL A 7 -11.884 -0.669 -6.494 1.00 1.16 C ATOM 95 CG1 VAL A 7 -10.999 -0.821 -5.249 1.00 3.25 C ATOM 96 CG2 VAL A 7 -11.904 0.792 -6.962 1.00 2.40 C ATOM 0 H VAL A 7 -10.030 -2.892 -6.839 1.00 0.69 H new ATOM 0 HA VAL A 7 -12.432 -1.801 -8.189 1.00 0.91 H new ATOM 0 HB VAL A 7 -12.900 -0.941 -6.209 1.00 1.16 H new ATOM 0 HG11 VAL A 7 -11.310 -0.102 -4.491 1.00 3.25 H new ATOM 0 HG12 VAL A 7 -11.099 -1.831 -4.853 1.00 3.25 H new ATOM 0 HG13 VAL A 7 -9.959 -0.638 -5.518 1.00 3.25 H new ATOM 0 HG21 VAL A 7 -12.172 1.438 -6.126 1.00 2.40 H new ATOM 0 HG22 VAL A 7 -10.917 1.069 -7.333 1.00 2.40 H new ATOM 0 HG23 VAL A 7 -12.638 0.908 -7.760 1.00 2.40 H new ATOM 106 N ARG A 8 -10.808 -1.232 -9.928 1.00 0.81 N ATOM 107 CA ARG A 8 -9.826 -0.991 -10.973 1.00 0.82 C ATOM 108 C ARG A 8 -9.751 0.501 -11.258 1.00 0.73 C ATOM 109 O ARG A 8 -10.583 1.043 -11.981 1.00 0.84 O ATOM 110 CB ARG A 8 -10.177 -1.838 -12.207 1.00 1.07 C ATOM 111 CG ARG A 8 -11.505 -1.471 -12.886 1.00 1.86 C ATOM 112 CD ARG A 8 -12.111 -2.677 -13.616 1.00 2.41 C ATOM 113 NE ARG A 8 -13.386 -3.095 -13.013 1.00 3.72 N ATOM 114 CZ ARG A 8 -14.552 -2.449 -13.157 1.00 4.28 C ATOM 115 NH1 ARG A 8 -15.657 -2.926 -12.583 1.00 5.58 N ATOM 116 NH2 ARG A 8 -14.610 -1.325 -13.873 1.00 4.17 N ATOM 0 H ARG A 8 -11.738 -1.476 -10.270 1.00 0.81 H new ATOM 0 HA ARG A 8 -8.830 -1.299 -10.656 1.00 0.82 H new ATOM 0 HB2 ARG A 8 -9.373 -1.741 -12.937 1.00 1.07 H new ATOM 0 HB3 ARG A 8 -10.214 -2.887 -11.911 1.00 1.07 H new ATOM 0 HG2 ARG A 8 -12.209 -1.105 -12.139 1.00 1.86 H new ATOM 0 HG3 ARG A 8 -11.341 -0.659 -13.595 1.00 1.86 H new ATOM 0 HD2 ARG A 8 -12.270 -2.425 -14.665 1.00 2.41 H new ATOM 0 HD3 ARG A 8 -11.407 -3.509 -13.591 1.00 2.41 H new ATOM 0 HE ARG A 8 -13.383 -3.940 -12.442 1.00 3.72 H new ATOM 0 HH11 ARG A 8 -15.616 -3.784 -12.033 1.00 5.58 H new ATOM 0 HH12 ARG A 8 -16.543 -2.433 -12.694 1.00 5.58 H new ATOM 0 HH21 ARG A 8 -13.767 -0.956 -14.312 1.00 4.17 H new ATOM 0 HH22 ARG A 8 -15.498 -0.835 -13.982 1.00 4.17 H new ATOM 130 N GLY A 9 -8.759 1.174 -10.678 1.00 0.70 N ATOM 131 CA GLY A 9 -8.625 2.608 -10.836 1.00 0.70 C ATOM 132 C GLY A 9 -7.240 3.095 -10.431 1.00 0.62 C ATOM 133 O GLY A 9 -6.232 2.419 -10.639 1.00 0.79 O ATOM 0 H GLY A 9 -8.040 0.743 -10.096 1.00 0.70 H new ATOM 0 HA2 GLY A 9 -8.816 2.879 -11.874 1.00 0.70 H new ATOM 0 HA3 GLY A 9 -9.379 3.112 -10.231 1.00 0.70 H new ATOM 137 N ASP A 10 -7.206 4.298 -9.865 1.00 0.58 N ATOM 138 CA ASP A 10 -6.006 5.046 -9.526 1.00 0.61 C ATOM 139 C ASP A 10 -6.024 5.343 -8.027 1.00 0.60 C ATOM 140 O ASP A 10 -7.085 5.439 -7.415 1.00 0.58 O ATOM 141 CB ASP A 10 -5.962 6.346 -10.353 1.00 0.81 C ATOM 142 CG ASP A 10 -4.565 6.969 -10.451 1.00 1.89 C ATOM 143 OD1 ASP A 10 -4.223 7.488 -11.534 1.00 2.50 O ATOM 144 OD2 ASP A 10 -3.773 6.861 -9.488 1.00 3.09 O ATOM 0 H ASP A 10 -8.059 4.800 -9.619 1.00 0.58 H new ATOM 0 HA ASP A 10 -5.112 4.467 -9.759 1.00 0.61 H new ATOM 0 HB2 ASP A 10 -6.329 6.139 -11.358 1.00 0.81 H new ATOM 0 HB3 ASP A 10 -6.643 7.072 -9.909 1.00 0.81 H new ATOM 149 N ILE A 11 -4.846 5.534 -7.446 1.00 0.66 N ATOM 150 CA ILE A 11 -4.607 5.988 -6.086 1.00 0.65 C ATOM 151 C ILE A 11 -5.288 7.339 -5.880 1.00 0.65 C ATOM 152 O ILE A 11 -5.914 7.577 -4.852 1.00 0.67 O ATOM 153 CB ILE A 11 -3.079 6.066 -5.861 1.00 0.67 C ATOM 154 CG1 ILE A 11 -2.338 4.752 -6.201 1.00 1.50 C ATOM 155 CG2 ILE A 11 -2.732 6.420 -4.412 1.00 1.89 C ATOM 156 CD1 ILE A 11 -0.992 5.017 -6.850 1.00 2.88 C ATOM 0 H ILE A 11 -3.975 5.364 -7.949 1.00 0.66 H new ATOM 0 HA ILE A 11 -5.027 5.295 -5.357 1.00 0.65 H new ATOM 0 HB ILE A 11 -2.748 6.850 -6.542 1.00 0.67 H new ATOM 0 HG12 ILE A 11 -2.195 4.169 -5.291 1.00 1.50 H new ATOM 0 HG13 ILE A 11 -2.953 4.151 -6.871 1.00 1.50 H new ATOM 0 HG21 ILE A 11 -1.649 6.464 -4.298 1.00 1.89 H new ATOM 0 HG22 ILE A 11 -3.163 7.389 -4.161 1.00 1.89 H new ATOM 0 HG23 ILE A 11 -3.136 5.659 -3.745 1.00 1.89 H new ATOM 0 HD11 ILE A 11 -0.503 4.069 -7.073 1.00 2.88 H new ATOM 0 HD12 ILE A 11 -1.137 5.577 -7.774 1.00 2.88 H new ATOM 0 HD13 ILE A 11 -0.368 5.596 -6.169 1.00 2.88 H new ATOM 168 N ALA A 12 -5.219 8.219 -6.881 1.00 0.67 N ATOM 169 CA ALA A 12 -5.852 9.527 -6.799 1.00 0.74 C ATOM 170 C ALA A 12 -7.377 9.446 -6.922 1.00 0.72 C ATOM 171 O ALA A 12 -8.053 10.465 -6.809 1.00 0.79 O ATOM 172 CB ALA A 12 -5.284 10.463 -7.863 1.00 0.85 C ATOM 0 H ALA A 12 -4.729 8.044 -7.758 1.00 0.67 H new ATOM 0 HA ALA A 12 -5.629 9.928 -5.811 1.00 0.74 H new ATOM 0 HB1 ALA A 12 -5.768 11.436 -7.787 1.00 0.85 H new ATOM 0 HB2 ALA A 12 -4.211 10.579 -7.710 1.00 0.85 H new ATOM 0 HB3 ALA A 12 -5.466 10.043 -8.852 1.00 0.85 H new ATOM 178 N THR A 13 -7.925 8.251 -7.143 1.00 0.66 N ATOM 179 CA THR A 13 -9.359 8.015 -7.168 1.00 0.69 C ATOM 180 C THR A 13 -9.747 6.938 -6.156 1.00 0.66 C ATOM 181 O THR A 13 -10.892 6.498 -6.143 1.00 0.71 O ATOM 182 CB THR A 13 -9.797 7.625 -8.586 1.00 0.71 C ATOM 183 OG1 THR A 13 -9.086 6.489 -9.037 1.00 0.68 O ATOM 184 CG2 THR A 13 -9.539 8.766 -9.572 1.00 0.76 C ATOM 0 H THR A 13 -7.372 7.410 -7.312 1.00 0.66 H new ATOM 0 HA THR A 13 -9.874 8.933 -6.886 1.00 0.69 H new ATOM 0 HB THR A 13 -10.864 7.406 -8.542 1.00 0.71 H new ATOM 0 HG1 THR A 13 -8.496 6.168 -8.323 1.00 0.68 H new ATOM 0 HG21 THR A 13 -9.858 8.464 -10.570 1.00 0.76 H new ATOM 0 HG22 THR A 13 -10.100 9.648 -9.263 1.00 0.76 H new ATOM 0 HG23 THR A 13 -8.475 9.000 -9.587 1.00 0.76 H new ATOM 192 N ALA A 14 -8.819 6.501 -5.301 1.00 0.63 N ATOM 193 CA ALA A 14 -9.097 5.497 -4.294 1.00 0.62 C ATOM 194 C ALA A 14 -9.663 6.216 -3.076 1.00 0.64 C ATOM 195 O ALA A 14 -9.104 6.159 -1.989 1.00 0.73 O ATOM 196 CB ALA A 14 -7.808 4.731 -3.975 1.00 0.62 C ATOM 0 H ALA A 14 -7.857 6.839 -5.295 1.00 0.63 H new ATOM 0 HA ALA A 14 -9.826 4.764 -4.639 1.00 0.62 H new ATOM 0 HB1 ALA A 14 -8.012 3.974 -3.218 1.00 0.62 H new ATOM 0 HB2 ALA A 14 -7.438 4.248 -4.880 1.00 0.62 H new ATOM 0 HB3 ALA A 14 -7.055 5.425 -3.601 1.00 0.62 H new ATOM 202 N THR A 15 -10.769 6.935 -3.244 1.00 0.62 N ATOM 203 CA THR A 15 -11.368 7.755 -2.204 1.00 0.68 C ATOM 204 C THR A 15 -12.209 6.897 -1.254 1.00 0.68 C ATOM 205 O THR A 15 -13.360 7.221 -0.974 1.00 0.78 O ATOM 206 CB THR A 15 -12.204 8.843 -2.888 1.00 0.73 C ATOM 207 OG1 THR A 15 -13.009 8.268 -3.894 1.00 1.12 O ATOM 208 CG2 THR A 15 -11.297 9.890 -3.538 1.00 0.95 C ATOM 0 H THR A 15 -11.282 6.962 -4.125 1.00 0.62 H new ATOM 0 HA THR A 15 -10.597 8.224 -1.592 1.00 0.68 H new ATOM 0 HB THR A 15 -12.826 9.318 -2.129 1.00 0.73 H new ATOM 0 HG1 THR A 15 -13.542 8.968 -4.326 1.00 1.12 H new ATOM 0 HG21 THR A 15 -11.909 10.654 -4.018 1.00 0.95 H new ATOM 0 HG22 THR A 15 -10.671 10.353 -2.775 1.00 0.95 H new ATOM 0 HG23 THR A 15 -10.664 9.410 -4.284 1.00 0.95 H new ATOM 216 N GLU A 16 -11.626 5.826 -0.722 1.00 0.68 N ATOM 217 CA GLU A 16 -12.265 4.860 0.166 1.00 0.70 C ATOM 218 C GLU A 16 -12.033 5.260 1.626 1.00 0.79 C ATOM 219 O GLU A 16 -11.863 4.430 2.512 1.00 0.84 O ATOM 220 CB GLU A 16 -11.681 3.470 -0.159 1.00 0.68 C ATOM 221 CG GLU A 16 -12.670 2.585 -0.942 1.00 0.72 C ATOM 222 CD GLU A 16 -12.750 1.123 -0.481 1.00 2.82 C ATOM 223 OE1 GLU A 16 -12.258 0.799 0.625 1.00 4.33 O ATOM 224 OE2 GLU A 16 -13.328 0.336 -1.260 1.00 3.72 O ATOM 0 H GLU A 16 -10.649 5.598 -0.907 1.00 0.68 H new ATOM 0 HA GLU A 16 -13.344 4.836 0.016 1.00 0.70 H new ATOM 0 HB2 GLU A 16 -10.767 3.590 -0.740 1.00 0.68 H new ATOM 0 HB3 GLU A 16 -11.405 2.969 0.769 1.00 0.68 H new ATOM 0 HG2 GLU A 16 -13.664 3.027 -0.868 1.00 0.72 H new ATOM 0 HG3 GLU A 16 -12.391 2.602 -1.996 1.00 0.72 H new ATOM 231 N GLY A 17 -11.948 6.561 1.903 1.00 0.85 N ATOM 232 CA GLY A 17 -11.603 7.037 3.235 1.00 0.96 C ATOM 233 C GLY A 17 -10.098 6.964 3.491 1.00 1.00 C ATOM 234 O GLY A 17 -9.555 7.830 4.173 1.00 1.20 O ATOM 0 H GLY A 17 -12.114 7.301 1.221 1.00 0.85 H new ATOM 0 HA2 GLY A 17 -11.942 8.066 3.353 1.00 0.96 H new ATOM 0 HA3 GLY A 17 -12.128 6.441 3.981 1.00 0.96 H new ATOM 238 N VAL A 18 -9.422 5.942 2.962 1.00 0.87 N ATOM 239 CA VAL A 18 -8.042 5.621 3.250 1.00 0.94 C ATOM 240 C VAL A 18 -7.375 5.234 1.936 1.00 0.70 C ATOM 241 O VAL A 18 -7.992 4.575 1.102 1.00 0.64 O ATOM 242 CB VAL A 18 -8.004 4.461 4.253 1.00 1.18 C ATOM 243 CG1 VAL A 18 -6.566 4.163 4.680 1.00 1.06 C ATOM 244 CG2 VAL A 18 -8.819 4.776 5.503 1.00 1.75 C ATOM 0 H VAL A 18 -9.847 5.296 2.296 1.00 0.87 H new ATOM 0 HA VAL A 18 -7.514 6.468 3.688 1.00 0.94 H new ATOM 0 HB VAL A 18 -8.434 3.594 3.751 1.00 1.18 H new ATOM 0 HG11 VAL A 18 -6.561 3.337 5.391 1.00 1.06 H new ATOM 0 HG12 VAL A 18 -5.975 3.891 3.805 1.00 1.06 H new ATOM 0 HG13 VAL A 18 -6.135 5.048 5.148 1.00 1.06 H new ATOM 0 HG21 VAL A 18 -8.770 3.932 6.192 1.00 1.75 H new ATOM 0 HG22 VAL A 18 -8.413 5.664 5.988 1.00 1.75 H new ATOM 0 HG23 VAL A 18 -9.857 4.957 5.224 1.00 1.75 H new ATOM 254 N ILE A 19 -6.125 5.664 1.763 1.00 0.64 N ATOM 255 CA ILE A 19 -5.288 5.454 0.599 1.00 0.52 C ATOM 256 C ILE A 19 -3.907 5.135 1.138 1.00 0.50 C ATOM 257 O ILE A 19 -3.450 5.840 2.035 1.00 0.51 O ATOM 258 CB ILE A 19 -5.227 6.749 -0.233 1.00 0.58 C ATOM 259 CG1 ILE A 19 -6.597 7.036 -0.850 1.00 0.63 C ATOM 260 CG2 ILE A 19 -4.190 6.600 -1.358 1.00 0.76 C ATOM 261 CD1 ILE A 19 -6.748 8.436 -1.465 1.00 1.29 C ATOM 0 H ILE A 19 -5.646 6.203 2.484 1.00 0.64 H new ATOM 0 HA ILE A 19 -5.671 4.656 -0.037 1.00 0.52 H new ATOM 0 HB ILE A 19 -4.941 7.573 0.421 1.00 0.58 H new ATOM 0 HG12 ILE A 19 -6.795 6.292 -1.622 1.00 0.63 H new ATOM 0 HG13 ILE A 19 -7.360 6.908 -0.082 1.00 0.63 H new ATOM 0 HG21 ILE A 19 -4.152 7.519 -1.942 1.00 0.76 H new ATOM 0 HG22 ILE A 19 -3.209 6.405 -0.925 1.00 0.76 H new ATOM 0 HG23 ILE A 19 -4.472 5.770 -2.006 1.00 0.76 H new ATOM 0 HD11 ILE A 19 -7.751 8.546 -1.877 1.00 1.29 H new ATOM 0 HD12 ILE A 19 -6.587 9.191 -0.695 1.00 1.29 H new ATOM 0 HD13 ILE A 19 -6.013 8.565 -2.260 1.00 1.29 H new ATOM 273 N ILE A 20 -3.229 4.119 0.604 1.00 0.52 N ATOM 274 CA ILE A 20 -1.860 3.815 0.984 1.00 0.53 C ATOM 275 C ILE A 20 -1.041 3.934 -0.291 1.00 0.55 C ATOM 276 O ILE A 20 -1.478 3.498 -1.359 1.00 0.63 O ATOM 277 CB ILE A 20 -1.714 2.421 1.641 1.00 0.60 C ATOM 278 CG1 ILE A 20 -2.494 2.221 2.952 1.00 0.68 C ATOM 279 CG2 ILE A 20 -0.250 2.181 2.016 1.00 0.76 C ATOM 280 CD1 ILE A 20 -3.992 2.280 2.738 1.00 0.61 C ATOM 0 H ILE A 20 -3.615 3.490 -0.100 1.00 0.52 H new ATOM 0 HA ILE A 20 -1.510 4.509 1.749 1.00 0.53 H new ATOM 0 HB ILE A 20 -2.110 1.737 0.891 1.00 0.60 H new ATOM 0 HG12 ILE A 20 -2.228 1.258 3.388 1.00 0.68 H new ATOM 0 HG13 ILE A 20 -2.200 2.988 3.669 1.00 0.68 H new ATOM 0 HG21 ILE A 20 -0.149 1.199 2.478 1.00 0.76 H new ATOM 0 HG22 ILE A 20 0.367 2.225 1.119 1.00 0.76 H new ATOM 0 HG23 ILE A 20 0.076 2.948 2.718 1.00 0.76 H new ATOM 0 HD11 ILE A 20 -4.502 2.134 3.690 1.00 0.61 H new ATOM 0 HD12 ILE A 20 -4.263 3.253 2.327 1.00 0.61 H new ATOM 0 HD13 ILE A 20 -4.291 1.496 2.042 1.00 0.61 H new ATOM 292 N ASN A 21 0.143 4.527 -0.164 1.00 0.53 N ATOM 293 CA ASN A 21 1.136 4.625 -1.217 1.00 0.57 C ATOM 294 C ASN A 21 2.461 4.164 -0.621 1.00 0.54 C ATOM 295 O ASN A 21 2.639 4.232 0.595 1.00 0.52 O ATOM 296 CB ASN A 21 1.244 6.078 -1.710 1.00 0.60 C ATOM 297 CG ASN A 21 1.321 6.195 -3.223 1.00 1.08 C ATOM 298 OD1 ASN A 21 1.262 5.212 -3.949 1.00 1.83 O ATOM 299 ND2 ASN A 21 1.452 7.416 -3.721 1.00 1.85 N ATOM 0 H ASN A 21 0.443 4.966 0.707 1.00 0.53 H new ATOM 0 HA ASN A 21 0.862 4.008 -2.073 1.00 0.57 H new ATOM 0 HB2 ASN A 21 0.382 6.641 -1.352 1.00 0.60 H new ATOM 0 HB3 ASN A 21 2.129 6.538 -1.271 1.00 0.60 H new ATOM 0 HD21 ASN A 21 1.506 7.552 -4.730 1.00 1.85 H new ATOM 0 HD22 ASN A 21 1.499 8.220 -3.095 1.00 1.85 H new ATOM 306 N ALA A 22 3.395 3.707 -1.451 1.00 0.66 N ATOM 307 CA ALA A 22 4.732 3.407 -0.963 1.00 0.67 C ATOM 308 C ALA A 22 5.452 4.712 -0.600 1.00 0.79 C ATOM 309 O ALA A 22 5.047 5.792 -1.021 1.00 1.74 O ATOM 310 CB ALA A 22 5.499 2.618 -2.030 1.00 1.00 C ATOM 0 H ALA A 22 3.252 3.540 -2.447 1.00 0.66 H new ATOM 0 HA ALA A 22 4.675 2.794 -0.064 1.00 0.67 H new ATOM 0 HB1 ALA A 22 6.501 2.393 -1.666 1.00 1.00 H new ATOM 0 HB2 ALA A 22 4.973 1.688 -2.243 1.00 1.00 H new ATOM 0 HB3 ALA A 22 5.569 3.212 -2.941 1.00 1.00 H new ATOM 316 N ALA A 23 6.539 4.606 0.157 1.00 0.58 N ATOM 317 CA ALA A 23 7.421 5.720 0.483 1.00 0.78 C ATOM 318 C ALA A 23 8.827 5.192 0.734 1.00 0.78 C ATOM 319 O ALA A 23 9.809 5.646 0.150 1.00 1.01 O ATOM 320 CB ALA A 23 6.903 6.429 1.735 1.00 1.06 C ATOM 0 H ALA A 23 6.838 3.723 0.570 1.00 0.58 H new ATOM 0 HA ALA A 23 7.443 6.427 -0.347 1.00 0.78 H new ATOM 0 HB1 ALA A 23 7.562 7.262 1.980 1.00 1.06 H new ATOM 0 HB2 ALA A 23 5.896 6.804 1.550 1.00 1.06 H new ATOM 0 HB3 ALA A 23 6.881 5.727 2.568 1.00 1.06 H new ATOM 326 N ASN A 24 8.915 4.210 1.630 1.00 0.66 N ATOM 327 CA ASN A 24 10.173 3.683 2.132 1.00 0.73 C ATOM 328 C ASN A 24 11.022 4.780 2.787 1.00 0.73 C ATOM 329 O ASN A 24 10.603 5.930 2.904 1.00 0.84 O ATOM 330 CB ASN A 24 10.877 2.957 0.977 1.00 1.06 C ATOM 331 CG ASN A 24 11.973 2.037 1.473 1.00 3.05 C ATOM 332 OD1 ASN A 24 11.817 1.395 2.502 1.00 3.89 O ATOM 333 ND2 ASN A 24 13.121 2.027 0.813 1.00 4.39 N ATOM 0 H ASN A 24 8.096 3.753 2.032 1.00 0.66 H new ATOM 0 HA ASN A 24 9.999 2.963 2.931 1.00 0.73 H new ATOM 0 HB2 ASN A 24 10.146 2.379 0.412 1.00 1.06 H new ATOM 0 HB3 ASN A 24 11.301 3.691 0.292 1.00 1.06 H new ATOM 0 HD21 ASN A 24 13.904 1.474 1.161 1.00 4.39 H new ATOM 0 HD22 ASN A 24 13.222 2.573 -0.043 1.00 4.39 H new ATOM 340 N SER A 25 12.250 4.450 3.175 1.00 0.81 N ATOM 341 CA SER A 25 13.240 5.426 3.612 1.00 1.00 C ATOM 342 C SER A 25 13.506 6.506 2.566 1.00 1.31 C ATOM 343 O SER A 25 13.934 7.607 2.898 1.00 1.47 O ATOM 344 CB SER A 25 14.537 4.699 3.957 1.00 1.10 C ATOM 345 OG SER A 25 14.787 3.658 3.024 1.00 2.11 O ATOM 0 H SER A 25 12.588 3.488 3.195 1.00 0.81 H new ATOM 0 HA SER A 25 12.841 5.934 4.490 1.00 1.00 H new ATOM 0 HB2 SER A 25 15.368 5.405 3.955 1.00 1.10 H new ATOM 0 HB3 SER A 25 14.472 4.286 4.963 1.00 1.10 H new ATOM 0 HG SER A 25 15.623 3.203 3.258 1.00 2.11 H new ATOM 351 N LYS A 26 13.273 6.189 1.292 1.00 1.56 N ATOM 352 CA LYS A 26 13.521 7.102 0.190 1.00 1.96 C ATOM 353 C LYS A 26 12.445 8.189 0.148 1.00 1.93 C ATOM 354 O LYS A 26 12.612 9.175 -0.560 1.00 2.19 O ATOM 355 CB LYS A 26 13.599 6.312 -1.127 1.00 2.12 C ATOM 356 CG LYS A 26 14.672 5.209 -1.048 1.00 2.33 C ATOM 357 CD LYS A 26 14.873 4.465 -2.377 1.00 2.66 C ATOM 358 CE LYS A 26 15.772 3.239 -2.140 1.00 2.76 C ATOM 359 NZ LYS A 26 15.996 2.434 -3.367 1.00 3.41 N ATOM 0 H LYS A 26 12.904 5.284 1.000 1.00 1.56 H new ATOM 0 HA LYS A 26 14.478 7.604 0.335 1.00 1.96 H new ATOM 0 HB2 LYS A 26 12.629 5.865 -1.345 1.00 2.12 H new ATOM 0 HB3 LYS A 26 13.830 6.990 -1.949 1.00 2.12 H new ATOM 0 HG2 LYS A 26 15.619 5.653 -0.741 1.00 2.33 H new ATOM 0 HG3 LYS A 26 14.391 4.492 -0.276 1.00 2.33 H new ATOM 0 HD2 LYS A 26 13.910 4.152 -2.782 1.00 2.66 H new ATOM 0 HD3 LYS A 26 15.328 5.128 -3.113 1.00 2.66 H new ATOM 0 HE2 LYS A 26 16.734 3.572 -1.750 1.00 2.76 H new ATOM 0 HE3 LYS A 26 15.320 2.607 -1.376 1.00 2.76 H new ATOM 0 HZ1 LYS A 26 16.019 1.424 -3.120 1.00 3.41 H new ATOM 0 HZ2 LYS A 26 15.224 2.608 -4.042 1.00 3.41 H new ATOM 0 HZ3 LYS A 26 16.902 2.705 -3.800 1.00 3.41 H new ATOM 373 N GLY A 27 11.330 7.997 0.861 1.00 1.66 N ATOM 374 CA GLY A 27 10.206 8.912 0.867 1.00 1.71 C ATOM 375 C GLY A 27 9.393 8.818 -0.419 1.00 1.65 C ATOM 376 O GLY A 27 8.411 9.532 -0.574 1.00 1.74 O ATOM 0 H GLY A 27 11.190 7.182 1.459 1.00 1.66 H new ATOM 0 HA2 GLY A 27 9.564 8.693 1.720 1.00 1.71 H new ATOM 0 HA3 GLY A 27 10.568 9.932 0.994 1.00 1.71 H new ATOM 380 N GLN A 28 9.767 7.950 -1.359 1.00 1.58 N ATOM 381 CA GLN A 28 9.281 8.040 -2.721 1.00 1.59 C ATOM 382 C GLN A 28 8.405 6.828 -3.023 1.00 1.21 C ATOM 383 O GLN A 28 8.856 5.693 -2.866 1.00 1.21 O ATOM 384 CB GLN A 28 10.481 8.145 -3.671 1.00 1.94 C ATOM 385 CG GLN A 28 10.016 8.430 -5.102 1.00 1.86 C ATOM 386 CD GLN A 28 11.197 8.716 -6.023 1.00 2.20 C ATOM 387 OE1 GLN A 28 11.816 9.767 -5.948 1.00 2.15 O ATOM 388 NE2 GLN A 28 11.534 7.793 -6.916 1.00 3.23 N ATOM 0 H GLN A 28 10.409 7.175 -1.193 1.00 1.58 H new ATOM 0 HA GLN A 28 8.667 8.930 -2.860 1.00 1.59 H new ATOM 0 HB2 GLN A 28 11.148 8.939 -3.335 1.00 1.94 H new ATOM 0 HB3 GLN A 28 11.052 7.217 -3.647 1.00 1.94 H new ATOM 0 HG2 GLN A 28 9.455 7.576 -5.481 1.00 1.86 H new ATOM 0 HG3 GLN A 28 9.337 9.283 -5.103 1.00 1.86 H new ATOM 0 HE21 GLN A 28 11.010 6.920 -6.969 1.00 3.23 H new ATOM 0 HE22 GLN A 28 12.317 7.957 -7.549 1.00 3.23 H new ATOM 397 N PRO A 29 7.163 7.033 -3.480 1.00 1.03 N ATOM 398 CA PRO A 29 6.306 5.930 -3.849 1.00 0.81 C ATOM 399 C PRO A 29 6.893 5.252 -5.080 1.00 0.99 C ATOM 400 O PRO A 29 6.978 5.862 -6.143 1.00 1.32 O ATOM 401 CB PRO A 29 4.926 6.541 -4.102 1.00 0.82 C ATOM 402 CG PRO A 29 5.238 7.978 -4.502 1.00 1.19 C ATOM 403 CD PRO A 29 6.498 8.307 -3.701 1.00 1.26 C ATOM 0 HA PRO A 29 6.224 5.162 -3.080 1.00 0.81 H new ATOM 0 HB2 PRO A 29 4.392 6.012 -4.891 1.00 0.82 H new ATOM 0 HB3 PRO A 29 4.300 6.500 -3.211 1.00 0.82 H new ATOM 0 HG2 PRO A 29 5.410 8.068 -5.575 1.00 1.19 H new ATOM 0 HG3 PRO A 29 4.417 8.651 -4.253 1.00 1.19 H new ATOM 0 HD2 PRO A 29 7.142 8.996 -4.248 1.00 1.26 H new ATOM 0 HD3 PRO A 29 6.247 8.788 -2.755 1.00 1.26 H new ATOM 411 N GLY A 30 7.330 4.000 -4.929 1.00 0.98 N ATOM 412 CA GLY A 30 7.971 3.257 -6.007 1.00 1.20 C ATOM 413 C GLY A 30 7.046 3.048 -7.205 1.00 1.68 C ATOM 414 O GLY A 30 6.323 2.057 -7.266 1.00 2.53 O ATOM 0 H GLY A 30 7.248 3.477 -4.057 1.00 0.98 H new ATOM 0 HA2 GLY A 30 8.864 3.791 -6.331 1.00 1.20 H new ATOM 0 HA3 GLY A 30 8.298 2.287 -5.631 1.00 1.20 H new ATOM 418 N GLY A 31 7.098 3.966 -8.169 1.00 1.52 N ATOM 419 CA GLY A 31 6.345 3.927 -9.409 1.00 2.04 C ATOM 420 C GLY A 31 6.251 5.347 -9.961 1.00 1.15 C ATOM 421 O GLY A 31 6.748 6.287 -9.346 1.00 2.37 O ATOM 0 H GLY A 31 7.694 4.791 -8.098 1.00 1.52 H new ATOM 0 HA2 GLY A 31 6.835 3.272 -10.129 1.00 2.04 H new ATOM 0 HA3 GLY A 31 5.348 3.521 -9.235 1.00 2.04 H new ATOM 425 N GLY A 32 5.548 5.543 -11.078 1.00 1.25 N ATOM 426 CA GLY A 32 5.280 6.892 -11.572 1.00 1.30 C ATOM 427 C GLY A 32 4.114 7.547 -10.826 1.00 1.09 C ATOM 428 O GLY A 32 3.639 8.614 -11.211 1.00 1.10 O ATOM 0 H GLY A 32 5.159 4.794 -11.651 1.00 1.25 H new ATOM 0 HA2 GLY A 32 6.174 7.505 -11.460 1.00 1.30 H new ATOM 0 HA3 GLY A 32 5.053 6.851 -12.637 1.00 1.30 H new ATOM 432 N VAL A 33 3.622 6.912 -9.761 1.00 1.01 N ATOM 433 CA VAL A 33 2.375 7.294 -9.128 1.00 0.87 C ATOM 434 C VAL A 33 2.482 8.624 -8.401 1.00 0.78 C ATOM 435 O VAL A 33 1.469 9.296 -8.226 1.00 0.72 O ATOM 436 CB VAL A 33 1.892 6.180 -8.196 1.00 1.01 C ATOM 437 CG1 VAL A 33 1.867 4.833 -8.931 1.00 1.94 C ATOM 438 CG2 VAL A 33 2.754 6.038 -6.939 1.00 1.98 C ATOM 0 H VAL A 33 4.084 6.118 -9.318 1.00 1.01 H new ATOM 0 HA VAL A 33 1.632 7.434 -9.914 1.00 0.87 H new ATOM 0 HB VAL A 33 0.886 6.463 -7.885 1.00 1.01 H new ATOM 0 HG11 VAL A 33 1.521 4.054 -8.252 1.00 1.94 H new ATOM 0 HG12 VAL A 33 1.192 4.897 -9.784 1.00 1.94 H new ATOM 0 HG13 VAL A 33 2.871 4.590 -9.280 1.00 1.94 H new ATOM 0 HG21 VAL A 33 2.362 5.233 -6.318 1.00 1.98 H new ATOM 0 HG22 VAL A 33 3.780 5.808 -7.226 1.00 1.98 H new ATOM 0 HG23 VAL A 33 2.734 6.972 -6.377 1.00 1.98 H new ATOM 448 N CYS A 34 3.695 9.034 -8.017 1.00 0.88 N ATOM 449 CA CYS A 34 3.911 10.356 -7.450 1.00 0.94 C ATOM 450 C CYS A 34 3.336 11.427 -8.380 1.00 0.94 C ATOM 451 O CYS A 34 2.846 12.448 -7.910 1.00 1.00 O ATOM 452 CB CYS A 34 5.407 10.594 -7.205 1.00 1.16 C ATOM 453 SG CYS A 34 5.615 11.820 -5.886 1.00 2.11 S ATOM 0 H CYS A 34 4.538 8.465 -8.091 1.00 0.88 H new ATOM 0 HA CYS A 34 3.395 10.418 -6.492 1.00 0.94 H new ATOM 0 HB2 CYS A 34 5.894 9.659 -6.928 1.00 1.16 H new ATOM 0 HB3 CYS A 34 5.885 10.944 -8.120 1.00 1.16 H new ATOM 0 HG CYS A 34 6.882 12.021 -5.676 1.00 2.11 H new ATOM 459 N GLY A 35 3.388 11.188 -9.695 1.00 0.96 N ATOM 460 CA GLY A 35 2.889 12.115 -10.693 1.00 1.05 C ATOM 461 C GLY A 35 1.367 12.187 -10.667 1.00 0.95 C ATOM 462 O GLY A 35 0.808 13.278 -10.638 1.00 1.07 O ATOM 0 H GLY A 35 3.783 10.335 -10.091 1.00 0.96 H new ATOM 0 HA2 GLY A 35 3.306 13.106 -10.513 1.00 1.05 H new ATOM 0 HA3 GLY A 35 3.224 11.803 -11.682 1.00 1.05 H new ATOM 466 N ALA A 36 0.681 11.041 -10.691 1.00 0.83 N ATOM 467 CA ALA A 36 -0.780 11.018 -10.719 1.00 0.84 C ATOM 468 C ALA A 36 -1.328 11.667 -9.460 1.00 0.79 C ATOM 469 O ALA A 36 -2.228 12.504 -9.520 1.00 0.92 O ATOM 470 CB ALA A 36 -1.279 9.572 -10.846 1.00 0.86 C ATOM 0 H ALA A 36 1.116 10.118 -10.692 1.00 0.83 H new ATOM 0 HA ALA A 36 -1.134 11.581 -11.583 1.00 0.84 H new ATOM 0 HB1 ALA A 36 -2.369 9.564 -10.866 1.00 0.86 H new ATOM 0 HB2 ALA A 36 -0.896 9.134 -11.768 1.00 0.86 H new ATOM 0 HB3 ALA A 36 -0.927 8.990 -9.994 1.00 0.86 H new ATOM 476 N LEU A 37 -0.768 11.282 -8.318 1.00 0.67 N ATOM 477 CA LEU A 37 -1.198 11.799 -7.042 1.00 0.66 C ATOM 478 C LEU A 37 -0.989 13.296 -6.995 1.00 0.85 C ATOM 479 O LEU A 37 -1.962 14.008 -6.831 1.00 1.18 O ATOM 480 CB LEU A 37 -0.492 11.044 -5.912 1.00 0.64 C ATOM 481 CG LEU A 37 -1.393 10.968 -4.675 1.00 0.82 C ATOM 482 CD1 LEU A 37 -2.583 10.036 -4.929 1.00 1.16 C ATOM 483 CD2 LEU A 37 -0.601 10.377 -3.507 1.00 0.76 C ATOM 0 H LEU A 37 -0.007 10.605 -8.260 1.00 0.67 H new ATOM 0 HA LEU A 37 -2.267 11.634 -6.904 1.00 0.66 H new ATOM 0 HB2 LEU A 37 -0.234 10.038 -6.244 1.00 0.64 H new ATOM 0 HB3 LEU A 37 0.442 11.546 -5.659 1.00 0.64 H new ATOM 0 HG LEU A 37 -1.744 11.975 -4.451 1.00 0.82 H new ATOM 0 HD11 LEU A 37 -3.210 9.996 -4.039 1.00 1.16 H new ATOM 0 HD12 LEU A 37 -3.168 10.413 -5.768 1.00 1.16 H new ATOM 0 HD13 LEU A 37 -2.218 9.035 -5.161 1.00 1.16 H new ATOM 0 HD21 LEU A 37 -1.240 10.322 -2.625 1.00 0.76 H new ATOM 0 HD22 LEU A 37 -0.258 9.376 -3.770 1.00 0.76 H new ATOM 0 HD23 LEU A 37 0.259 11.011 -3.293 1.00 0.76 H new ATOM 495 N TYR A 38 0.222 13.786 -7.240 1.00 0.82 N ATOM 496 CA TYR A 38 0.513 15.215 -7.322 1.00 0.98 C ATOM 497 C TYR A 38 -0.423 15.948 -8.286 1.00 1.04 C ATOM 498 O TYR A 38 -0.817 17.081 -8.027 1.00 1.19 O ATOM 499 CB TYR A 38 1.966 15.347 -7.773 1.00 1.04 C ATOM 500 CG TYR A 38 2.485 16.748 -8.028 1.00 1.33 C ATOM 501 CD1 TYR A 38 2.857 17.134 -9.330 1.00 2.61 C ATOM 502 CD2 TYR A 38 2.654 17.645 -6.957 1.00 2.37 C ATOM 503 CE1 TYR A 38 3.396 18.411 -9.562 1.00 2.91 C ATOM 504 CE2 TYR A 38 3.196 18.923 -7.181 1.00 2.69 C ATOM 505 CZ TYR A 38 3.568 19.311 -8.489 1.00 2.25 C ATOM 506 OH TYR A 38 4.097 20.544 -8.727 1.00 2.77 O ATOM 0 H TYR A 38 1.040 13.195 -7.389 1.00 0.82 H new ATOM 0 HA TYR A 38 0.355 15.678 -6.348 1.00 0.98 H new ATOM 0 HB2 TYR A 38 2.599 14.885 -7.015 1.00 1.04 H new ATOM 0 HB3 TYR A 38 2.090 14.768 -8.688 1.00 1.04 H new ATOM 0 HD1 TYR A 38 2.728 16.447 -10.153 1.00 2.61 H new ATOM 0 HD2 TYR A 38 2.366 17.351 -5.959 1.00 2.37 H new ATOM 0 HE1 TYR A 38 3.679 18.704 -10.562 1.00 2.91 H new ATOM 0 HE2 TYR A 38 3.328 19.607 -6.356 1.00 2.69 H new ATOM 0 HH TYR A 38 4.150 21.045 -7.886 1.00 2.77 H new ATOM 516 N LYS A 39 -0.774 15.319 -9.410 1.00 0.98 N ATOM 517 CA LYS A 39 -1.551 15.943 -10.469 1.00 1.15 C ATOM 518 C LYS A 39 -2.967 16.177 -9.977 1.00 1.20 C ATOM 519 O LYS A 39 -3.600 17.165 -10.341 1.00 1.35 O ATOM 520 CB LYS A 39 -1.532 15.033 -11.705 1.00 1.19 C ATOM 521 CG LYS A 39 -2.329 15.619 -12.871 1.00 1.59 C ATOM 522 CD LYS A 39 -2.291 14.663 -14.067 1.00 1.96 C ATOM 523 CE LYS A 39 -3.049 15.287 -15.243 1.00 2.63 C ATOM 524 NZ LYS A 39 -2.701 14.640 -16.527 1.00 3.03 N ATOM 0 H LYS A 39 -0.521 14.351 -9.607 1.00 0.98 H new ATOM 0 HA LYS A 39 -1.122 16.907 -10.744 1.00 1.15 H new ATOM 0 HB2 LYS A 39 -0.501 14.871 -12.018 1.00 1.19 H new ATOM 0 HB3 LYS A 39 -1.942 14.058 -11.442 1.00 1.19 H new ATOM 0 HG2 LYS A 39 -3.361 15.792 -12.566 1.00 1.59 H new ATOM 0 HG3 LYS A 39 -1.915 16.586 -13.155 1.00 1.59 H new ATOM 0 HD2 LYS A 39 -1.259 14.461 -14.352 1.00 1.96 H new ATOM 0 HD3 LYS A 39 -2.740 13.707 -13.797 1.00 1.96 H new ATOM 0 HE2 LYS A 39 -4.122 15.200 -15.071 1.00 2.63 H new ATOM 0 HE3 LYS A 39 -2.821 16.351 -15.299 1.00 2.63 H new ATOM 0 HZ1 LYS A 39 -3.234 15.090 -17.298 1.00 3.03 H new ATOM 0 HZ2 LYS A 39 -1.682 14.745 -16.704 1.00 3.03 H new ATOM 0 HZ3 LYS A 39 -2.942 13.629 -16.483 1.00 3.03 H new ATOM 538 N LYS A 40 -3.501 15.230 -9.210 1.00 1.15 N ATOM 539 CA LYS A 40 -4.853 15.342 -8.703 1.00 1.19 C ATOM 540 C LYS A 40 -4.856 16.233 -7.465 1.00 1.20 C ATOM 541 O LYS A 40 -5.806 16.982 -7.260 1.00 1.42 O ATOM 542 CB LYS A 40 -5.354 13.932 -8.392 1.00 0.99 C ATOM 543 CG LYS A 40 -6.873 13.871 -8.155 1.00 1.16 C ATOM 544 CD LYS A 40 -7.651 13.438 -9.399 1.00 1.30 C ATOM 545 CE LYS A 40 -7.537 14.486 -10.507 1.00 1.38 C ATOM 546 NZ LYS A 40 -8.433 14.175 -11.643 1.00 1.83 N ATOM 0 H LYS A 40 -3.013 14.379 -8.930 1.00 1.15 H new ATOM 0 HA LYS A 40 -5.518 15.800 -9.435 1.00 1.19 H new ATOM 0 HB2 LYS A 40 -5.094 13.270 -9.218 1.00 0.99 H new ATOM 0 HB3 LYS A 40 -4.839 13.556 -7.508 1.00 0.99 H new ATOM 0 HG2 LYS A 40 -7.081 13.176 -7.342 1.00 1.16 H new ATOM 0 HG3 LYS A 40 -7.226 14.851 -7.835 1.00 1.16 H new ATOM 0 HD2 LYS A 40 -7.269 12.482 -9.757 1.00 1.30 H new ATOM 0 HD3 LYS A 40 -8.700 13.287 -9.143 1.00 1.30 H new ATOM 0 HE2 LYS A 40 -7.784 15.469 -10.106 1.00 1.38 H new ATOM 0 HE3 LYS A 40 -6.506 14.535 -10.858 1.00 1.38 H new ATOM 0 HZ1 LYS A 40 -8.330 14.906 -12.376 1.00 1.83 H new ATOM 0 HZ2 LYS A 40 -8.181 13.248 -12.041 1.00 1.83 H new ATOM 0 HZ3 LYS A 40 -9.419 14.153 -11.312 1.00 1.83 H new ATOM 560 N PHE A 41 -3.830 16.108 -6.624 1.00 1.11 N ATOM 561 CA PHE A 41 -3.719 16.786 -5.351 1.00 1.37 C ATOM 562 C PHE A 41 -2.266 16.790 -4.860 1.00 1.17 C ATOM 563 O PHE A 41 -1.750 15.762 -4.426 1.00 1.28 O ATOM 564 CB PHE A 41 -4.672 16.145 -4.336 1.00 1.79 C ATOM 565 CG PHE A 41 -4.754 14.631 -4.246 1.00 0.78 C ATOM 566 CD1 PHE A 41 -5.760 13.932 -4.938 1.00 1.05 C ATOM 567 CD2 PHE A 41 -3.909 13.929 -3.372 1.00 1.61 C ATOM 568 CE1 PHE A 41 -5.945 12.555 -4.734 1.00 0.76 C ATOM 569 CE2 PHE A 41 -4.070 12.546 -3.194 1.00 2.47 C ATOM 570 CZ PHE A 41 -5.104 11.860 -3.852 1.00 1.88 C ATOM 0 H PHE A 41 -3.030 15.509 -6.826 1.00 1.11 H new ATOM 0 HA PHE A 41 -4.012 17.829 -5.472 1.00 1.37 H new ATOM 0 HB2 PHE A 41 -4.398 16.517 -3.349 1.00 1.79 H new ATOM 0 HB3 PHE A 41 -5.675 16.515 -4.549 1.00 1.79 H new ATOM 0 HD1 PHE A 41 -6.396 14.460 -5.633 1.00 1.05 H new ATOM 0 HD2 PHE A 41 -3.133 14.454 -2.835 1.00 1.61 H new ATOM 0 HE1 PHE A 41 -6.733 12.032 -5.255 1.00 0.76 H new ATOM 0 HE2 PHE A 41 -3.395 12.006 -2.547 1.00 2.47 H new ATOM 0 HZ PHE A 41 -5.251 10.804 -3.680 1.00 1.88 H new ATOM 580 N PRO A 42 -1.580 17.941 -4.850 1.00 1.05 N ATOM 581 CA PRO A 42 -0.250 18.045 -4.271 1.00 1.01 C ATOM 582 C PRO A 42 -0.282 17.974 -2.738 1.00 1.11 C ATOM 583 O PRO A 42 0.759 18.045 -2.092 1.00 1.23 O ATOM 584 CB PRO A 42 0.290 19.388 -4.770 1.00 1.19 C ATOM 585 CG PRO A 42 -0.972 20.236 -4.914 1.00 1.33 C ATOM 586 CD PRO A 42 -2.013 19.222 -5.385 1.00 1.19 C ATOM 0 HA PRO A 42 0.388 17.214 -4.572 1.00 1.01 H new ATOM 0 HB2 PRO A 42 0.993 19.828 -4.063 1.00 1.19 H new ATOM 0 HB3 PRO A 42 0.816 19.284 -5.719 1.00 1.19 H new ATOM 0 HG2 PRO A 42 -1.258 20.699 -3.969 1.00 1.33 H new ATOM 0 HG3 PRO A 42 -0.837 21.042 -5.636 1.00 1.33 H new ATOM 0 HD2 PRO A 42 -3.007 19.483 -5.022 1.00 1.19 H new ATOM 0 HD3 PRO A 42 -2.069 19.194 -6.473 1.00 1.19 H new ATOM 594 N GLU A 43 -1.448 17.809 -2.117 1.00 1.23 N ATOM 595 CA GLU A 43 -1.564 17.757 -0.678 1.00 1.47 C ATOM 596 C GLU A 43 -1.001 16.447 -0.138 1.00 1.32 C ATOM 597 O GLU A 43 -0.669 16.365 1.042 1.00 1.46 O ATOM 598 CB GLU A 43 -3.030 17.928 -0.283 1.00 1.78 C ATOM 599 CG GLU A 43 -3.504 19.378 -0.447 1.00 2.07 C ATOM 600 CD GLU A 43 -4.103 19.699 -1.820 1.00 3.10 C ATOM 601 OE1 GLU A 43 -4.814 20.723 -1.886 1.00 3.98 O ATOM 602 OE2 GLU A 43 -3.886 18.908 -2.767 1.00 3.94 O ATOM 0 H GLU A 43 -2.337 17.708 -2.608 1.00 1.23 H new ATOM 0 HA GLU A 43 -0.982 18.568 -0.241 1.00 1.47 H new ATOM 0 HB2 GLU A 43 -3.649 17.273 -0.895 1.00 1.78 H new ATOM 0 HB3 GLU A 43 -3.165 17.617 0.753 1.00 1.78 H new ATOM 0 HG2 GLU A 43 -4.249 19.592 0.319 1.00 2.07 H new ATOM 0 HG3 GLU A 43 -2.661 20.045 -0.267 1.00 2.07 H new ATOM 609 N SER A 44 -0.866 15.422 -0.980 1.00 1.12 N ATOM 610 CA SER A 44 -0.219 14.184 -0.566 1.00 1.07 C ATOM 611 C SER A 44 1.285 14.203 -0.848 1.00 1.00 C ATOM 612 O SER A 44 1.907 13.145 -0.914 1.00 1.30 O ATOM 613 CB SER A 44 -0.875 13.036 -1.318 1.00 1.27 C ATOM 614 OG SER A 44 -0.846 13.335 -2.692 1.00 2.34 O ATOM 0 H SER A 44 -1.195 15.427 -1.946 1.00 1.12 H new ATOM 0 HA SER A 44 -0.339 14.064 0.511 1.00 1.07 H new ATOM 0 HB2 SER A 44 -0.348 12.103 -1.121 1.00 1.27 H new ATOM 0 HB3 SER A 44 -1.902 12.899 -0.981 1.00 1.27 H new ATOM 0 HG SER A 44 -1.758 13.503 -3.010 1.00 2.34 H new ATOM 620 N PHE A 45 1.886 15.375 -1.063 1.00 1.09 N ATOM 621 CA PHE A 45 3.297 15.510 -1.383 1.00 1.34 C ATOM 622 C PHE A 45 4.083 15.528 -0.073 1.00 1.25 C ATOM 623 O PHE A 45 4.794 16.473 0.251 1.00 1.88 O ATOM 624 CB PHE A 45 3.476 16.763 -2.253 1.00 2.23 C ATOM 625 CG PHE A 45 4.722 16.815 -3.112 1.00 2.45 C ATOM 626 CD1 PHE A 45 4.674 16.327 -4.432 1.00 2.43 C ATOM 627 CD2 PHE A 45 5.904 17.404 -2.629 1.00 3.57 C ATOM 628 CE1 PHE A 45 5.793 16.447 -5.274 1.00 3.51 C ATOM 629 CE2 PHE A 45 7.030 17.508 -3.464 1.00 4.38 C ATOM 630 CZ PHE A 45 6.974 17.037 -4.789 1.00 4.34 C ATOM 0 H PHE A 45 1.393 16.267 -1.018 1.00 1.09 H new ATOM 0 HA PHE A 45 3.684 14.674 -1.965 1.00 1.34 H new ATOM 0 HB2 PHE A 45 2.607 16.853 -2.905 1.00 2.23 H new ATOM 0 HB3 PHE A 45 3.475 17.635 -1.600 1.00 2.23 H new ATOM 0 HD1 PHE A 45 3.773 15.858 -4.799 1.00 2.43 H new ATOM 0 HD2 PHE A 45 5.947 17.777 -1.616 1.00 3.57 H new ATOM 0 HE1 PHE A 45 5.746 16.087 -6.291 1.00 3.51 H new ATOM 0 HE2 PHE A 45 7.940 17.951 -3.088 1.00 4.38 H new ATOM 0 HZ PHE A 45 7.837 17.128 -5.432 1.00 4.34 H new ATOM 640 N ASP A 46 3.978 14.421 0.660 1.00 1.09 N ATOM 641 CA ASP A 46 4.687 14.120 1.881 1.00 1.71 C ATOM 642 C ASP A 46 5.587 12.949 1.527 1.00 2.29 C ATOM 643 O ASP A 46 5.576 11.884 2.144 1.00 4.04 O ATOM 644 CB ASP A 46 3.694 13.780 2.992 1.00 2.11 C ATOM 645 CG ASP A 46 4.404 13.504 4.316 1.00 2.82 C ATOM 646 OD1 ASP A 46 3.739 13.047 5.271 1.00 4.10 O ATOM 647 OD2 ASP A 46 5.622 13.771 4.402 1.00 3.07 O ATOM 0 H ASP A 46 3.349 13.665 0.389 1.00 1.09 H new ATOM 0 HA ASP A 46 5.273 14.959 2.257 1.00 1.71 H new ATOM 0 HB2 ASP A 46 2.993 14.605 3.119 1.00 2.11 H new ATOM 0 HB3 ASP A 46 3.109 12.907 2.703 1.00 2.11 H new ATOM 652 N LEU A 47 6.385 13.161 0.481 1.00 1.16 N ATOM 653 CA LEU A 47 7.538 12.328 0.198 1.00 1.35 C ATOM 654 C LEU A 47 8.702 12.769 1.086 1.00 1.21 C ATOM 655 O LEU A 47 9.815 12.994 0.615 1.00 1.38 O ATOM 656 CB LEU A 47 7.884 12.301 -1.293 1.00 1.73 C ATOM 657 CG LEU A 47 7.882 13.657 -2.001 1.00 1.60 C ATOM 658 CD1 LEU A 47 8.909 13.583 -3.121 1.00 3.14 C ATOM 659 CD2 LEU A 47 6.508 13.954 -2.610 1.00 2.28 C ATOM 0 H LEU A 47 6.245 13.916 -0.190 1.00 1.16 H new ATOM 0 HA LEU A 47 7.302 11.292 0.441 1.00 1.35 H new ATOM 0 HB2 LEU A 47 8.871 11.853 -1.410 1.00 1.73 H new ATOM 0 HB3 LEU A 47 7.175 11.647 -1.800 1.00 1.73 H new ATOM 0 HG LEU A 47 8.117 14.446 -1.287 1.00 1.60 H new ATOM 0 HD11 LEU A 47 8.938 14.535 -3.652 1.00 3.14 H new ATOM 0 HD12 LEU A 47 9.892 13.373 -2.700 1.00 3.14 H new ATOM 0 HD13 LEU A 47 8.634 12.789 -3.815 1.00 3.14 H new ATOM 0 HD21 LEU A 47 6.532 14.923 -3.108 1.00 2.28 H new ATOM 0 HD22 LEU A 47 6.256 13.180 -3.335 1.00 2.28 H new ATOM 0 HD23 LEU A 47 5.756 13.970 -1.821 1.00 2.28 H new ATOM 671 N GLN A 48 8.445 12.884 2.391 1.00 1.00 N ATOM 672 CA GLN A 48 9.522 13.067 3.360 1.00 1.02 C ATOM 673 C GLN A 48 10.228 11.731 3.606 1.00 1.00 C ATOM 674 O GLN A 48 9.680 10.672 3.301 1.00 0.95 O ATOM 675 CB GLN A 48 8.969 13.616 4.687 1.00 0.99 C ATOM 676 CG GLN A 48 9.017 15.148 4.725 1.00 1.96 C ATOM 677 CD GLN A 48 8.977 15.662 6.163 1.00 2.55 C ATOM 678 OE1 GLN A 48 7.938 15.667 6.815 1.00 2.76 O ATOM 679 NE2 GLN A 48 10.118 16.093 6.693 1.00 3.74 N ATOM 0 H GLN A 48 7.509 12.854 2.796 1.00 1.00 H new ATOM 0 HA GLN A 48 10.235 13.786 2.957 1.00 1.02 H new ATOM 0 HB2 GLN A 48 7.941 13.280 4.821 1.00 0.99 H new ATOM 0 HB3 GLN A 48 9.547 13.212 5.518 1.00 0.99 H new ATOM 0 HG2 GLN A 48 9.925 15.499 4.235 1.00 1.96 H new ATOM 0 HG3 GLN A 48 8.175 15.556 4.166 1.00 1.96 H new ATOM 0 HE21 GLN A 48 10.974 16.083 6.138 1.00 3.74 H new ATOM 0 HE22 GLN A 48 10.137 16.434 7.654 1.00 3.74 H new ATOM 688 N PRO A 49 11.439 11.757 4.182 1.00 1.10 N ATOM 689 CA PRO A 49 12.131 10.548 4.590 1.00 1.12 C ATOM 690 C PRO A 49 11.349 9.896 5.729 1.00 1.00 C ATOM 691 O PRO A 49 11.007 10.568 6.701 1.00 1.08 O ATOM 692 CB PRO A 49 13.520 11.013 5.043 1.00 1.24 C ATOM 693 CG PRO A 49 13.282 12.448 5.511 1.00 1.25 C ATOM 694 CD PRO A 49 12.195 12.943 4.559 1.00 1.19 C ATOM 0 HA PRO A 49 12.217 9.807 3.796 1.00 1.12 H new ATOM 0 HB2 PRO A 49 13.910 10.388 5.847 1.00 1.24 H new ATOM 0 HB3 PRO A 49 14.243 10.971 4.228 1.00 1.24 H new ATOM 0 HG2 PRO A 49 12.956 12.485 6.550 1.00 1.25 H new ATOM 0 HG3 PRO A 49 14.187 13.051 5.439 1.00 1.25 H new ATOM 0 HD2 PRO A 49 11.554 13.679 5.044 1.00 1.19 H new ATOM 0 HD3 PRO A 49 12.630 13.426 3.684 1.00 1.19 H new ATOM 702 N ILE A 50 11.061 8.597 5.617 1.00 0.91 N ATOM 703 CA ILE A 50 10.328 7.843 6.617 1.00 0.84 C ATOM 704 C ILE A 50 11.302 6.845 7.248 1.00 0.70 C ATOM 705 O ILE A 50 12.350 6.547 6.676 1.00 0.67 O ATOM 706 CB ILE A 50 9.135 7.136 5.939 1.00 0.90 C ATOM 707 CG1 ILE A 50 8.286 8.077 5.058 1.00 1.37 C ATOM 708 CG2 ILE A 50 8.228 6.466 6.975 1.00 0.76 C ATOM 709 CD1 ILE A 50 7.777 9.334 5.774 1.00 1.40 C ATOM 0 H ILE A 50 11.339 8.037 4.811 1.00 0.91 H new ATOM 0 HA ILE A 50 9.926 8.487 7.399 1.00 0.84 H new ATOM 0 HB ILE A 50 9.577 6.382 5.287 1.00 0.90 H new ATOM 0 HG12 ILE A 50 8.880 8.381 4.196 1.00 1.37 H new ATOM 0 HG13 ILE A 50 7.430 7.521 4.675 1.00 1.37 H new ATOM 0 HG21 ILE A 50 7.397 5.976 6.468 1.00 0.76 H new ATOM 0 HG22 ILE A 50 8.800 5.725 7.534 1.00 0.76 H new ATOM 0 HG23 ILE A 50 7.841 7.219 7.661 1.00 0.76 H new ATOM 0 HD11 ILE A 50 7.191 9.936 5.080 1.00 1.40 H new ATOM 0 HD12 ILE A 50 7.153 9.044 6.619 1.00 1.40 H new ATOM 0 HD13 ILE A 50 8.625 9.917 6.133 1.00 1.40 H new ATOM 721 N GLU A 51 10.958 6.309 8.418 1.00 0.69 N ATOM 722 CA GLU A 51 11.701 5.213 9.009 1.00 0.67 C ATOM 723 C GLU A 51 11.592 3.957 8.140 1.00 0.63 C ATOM 724 O GLU A 51 10.801 3.874 7.199 1.00 0.81 O ATOM 725 CB GLU A 51 11.164 4.914 10.421 1.00 0.72 C ATOM 726 CG GLU A 51 12.082 5.474 11.508 1.00 1.16 C ATOM 727 CD GLU A 51 11.912 6.985 11.632 1.00 2.13 C ATOM 728 OE1 GLU A 51 10.919 7.390 12.280 1.00 2.70 O ATOM 729 OE2 GLU A 51 12.758 7.704 11.058 1.00 3.15 O ATOM 0 H GLU A 51 10.163 6.623 8.974 1.00 0.69 H new ATOM 0 HA GLU A 51 12.749 5.504 9.074 1.00 0.67 H new ATOM 0 HB2 GLU A 51 10.168 5.343 10.530 1.00 0.72 H new ATOM 0 HB3 GLU A 51 11.062 3.837 10.551 1.00 0.72 H new ATOM 0 HG2 GLU A 51 11.856 4.998 12.462 1.00 1.16 H new ATOM 0 HG3 GLU A 51 13.120 5.238 11.272 1.00 1.16 H new ATOM 736 N VAL A 52 12.352 2.934 8.521 1.00 0.53 N ATOM 737 CA VAL A 52 12.269 1.614 7.940 1.00 0.46 C ATOM 738 C VAL A 52 11.577 0.755 8.988 1.00 0.48 C ATOM 739 O VAL A 52 12.130 0.535 10.061 1.00 0.75 O ATOM 740 CB VAL A 52 13.666 1.069 7.602 1.00 0.57 C ATOM 741 CG1 VAL A 52 13.553 -0.048 6.558 1.00 0.88 C ATOM 742 CG2 VAL A 52 14.576 2.163 7.038 1.00 0.88 C ATOM 0 H VAL A 52 13.054 3.010 9.257 1.00 0.53 H new ATOM 0 HA VAL A 52 11.717 1.620 7.000 1.00 0.46 H new ATOM 0 HB VAL A 52 14.099 0.689 8.527 1.00 0.57 H new ATOM 0 HG11 VAL A 52 14.547 -0.429 6.324 1.00 0.88 H new ATOM 0 HG12 VAL A 52 12.939 -0.856 6.955 1.00 0.88 H new ATOM 0 HG13 VAL A 52 13.093 0.346 5.652 1.00 0.88 H new ATOM 0 HG21 VAL A 52 15.555 1.741 6.811 1.00 0.88 H new ATOM 0 HG22 VAL A 52 14.136 2.569 6.127 1.00 0.88 H new ATOM 0 HG23 VAL A 52 14.686 2.960 7.774 1.00 0.88 H new ATOM 752 N GLY A 53 10.346 0.338 8.708 1.00 0.52 N ATOM 753 CA GLY A 53 9.566 -0.513 9.598 1.00 0.74 C ATOM 754 C GLY A 53 8.355 0.220 10.162 1.00 0.84 C ATOM 755 O GLY A 53 7.602 -0.329 10.959 1.00 1.56 O ATOM 0 H GLY A 53 9.857 0.585 7.847 1.00 0.52 H new ATOM 0 HA2 GLY A 53 9.235 -1.399 9.056 1.00 0.74 H new ATOM 0 HA3 GLY A 53 10.197 -0.857 10.417 1.00 0.74 H new ATOM 759 N LYS A 54 8.124 1.471 9.755 1.00 0.34 N ATOM 760 CA LYS A 54 7.023 2.251 10.279 1.00 0.31 C ATOM 761 C LYS A 54 6.310 2.924 9.115 1.00 0.32 C ATOM 762 O LYS A 54 6.967 3.410 8.198 1.00 0.38 O ATOM 763 CB LYS A 54 7.616 3.233 11.292 1.00 0.39 C ATOM 764 CG LYS A 54 6.635 4.347 11.631 1.00 1.62 C ATOM 765 CD LYS A 54 6.888 4.874 13.044 1.00 2.09 C ATOM 766 CE LYS A 54 5.955 6.053 13.327 1.00 3.61 C ATOM 767 NZ LYS A 54 5.903 6.368 14.772 1.00 4.03 N ATOM 0 H LYS A 54 8.692 1.958 9.062 1.00 0.34 H new ATOM 0 HA LYS A 54 6.273 1.649 10.792 1.00 0.31 H new ATOM 0 HB2 LYS A 54 7.889 2.698 12.202 1.00 0.39 H new ATOM 0 HB3 LYS A 54 8.532 3.664 10.889 1.00 0.39 H new ATOM 0 HG2 LYS A 54 6.735 5.159 10.911 1.00 1.62 H new ATOM 0 HG3 LYS A 54 5.613 3.976 11.553 1.00 1.62 H new ATOM 0 HD2 LYS A 54 6.721 4.082 13.774 1.00 2.09 H new ATOM 0 HD3 LYS A 54 7.927 5.187 13.146 1.00 2.09 H new ATOM 0 HE2 LYS A 54 6.296 6.929 12.775 1.00 3.61 H new ATOM 0 HE3 LYS A 54 4.953 5.820 12.968 1.00 3.61 H new ATOM 0 HZ1 LYS A 54 5.262 7.172 14.929 1.00 4.03 H new ATOM 0 HZ2 LYS A 54 5.555 5.540 15.296 1.00 4.03 H new ATOM 0 HZ3 LYS A 54 6.856 6.614 15.108 1.00 4.03 H new ATOM 781 N ALA A 55 4.975 2.971 9.155 1.00 0.32 N ATOM 782 CA ALA A 55 4.212 3.717 8.166 1.00 0.35 C ATOM 783 C ALA A 55 3.894 5.092 8.758 1.00 0.37 C ATOM 784 O ALA A 55 3.628 5.201 9.956 1.00 0.42 O ATOM 785 CB ALA A 55 2.933 2.943 7.829 1.00 0.36 C ATOM 0 H ALA A 55 4.408 2.501 9.861 1.00 0.32 H new ATOM 0 HA ALA A 55 4.777 3.847 7.243 1.00 0.35 H new ATOM 0 HB1 ALA A 55 2.357 3.497 7.088 1.00 0.36 H new ATOM 0 HB2 ALA A 55 3.195 1.964 7.427 1.00 0.36 H new ATOM 0 HB3 ALA A 55 2.336 2.816 8.732 1.00 0.36 H new ATOM 791 N ARG A 56 3.920 6.142 7.932 1.00 0.43 N ATOM 792 CA ARG A 56 3.611 7.502 8.350 1.00 0.53 C ATOM 793 C ARG A 56 2.370 7.954 7.595 1.00 0.40 C ATOM 794 O ARG A 56 2.340 7.924 6.373 1.00 0.43 O ATOM 795 CB ARG A 56 4.783 8.445 8.046 1.00 0.85 C ATOM 796 CG ARG A 56 4.547 9.811 8.712 1.00 1.60 C ATOM 797 CD ARG A 56 5.080 10.985 7.884 1.00 2.67 C ATOM 798 NE ARG A 56 4.791 12.254 8.567 1.00 3.57 N ATOM 799 CZ ARG A 56 5.318 13.437 8.228 1.00 4.72 C ATOM 800 NH1 ARG A 56 5.206 14.480 9.051 1.00 5.38 N ATOM 801 NH2 ARG A 56 5.969 13.580 7.084 1.00 5.61 N ATOM 0 H ARG A 56 4.160 6.065 6.944 1.00 0.43 H new ATOM 0 HA ARG A 56 3.435 7.527 9.425 1.00 0.53 H new ATOM 0 HB2 ARG A 56 5.714 8.010 8.410 1.00 0.85 H new ATOM 0 HB3 ARG A 56 4.889 8.570 6.968 1.00 0.85 H new ATOM 0 HG2 ARG A 56 3.478 9.947 8.878 1.00 1.60 H new ATOM 0 HG3 ARG A 56 5.026 9.818 9.691 1.00 1.60 H new ATOM 0 HD2 ARG A 56 6.155 10.878 7.737 1.00 2.67 H new ATOM 0 HD3 ARG A 56 4.621 10.982 6.895 1.00 2.67 H new ATOM 0 HE ARG A 56 4.143 12.232 9.355 1.00 3.57 H new ATOM 0 HH11 ARG A 56 4.718 14.377 9.941 1.00 5.38 H new ATOM 0 HH12 ARG A 56 5.608 15.380 8.791 1.00 5.38 H new ATOM 0 HH21 ARG A 56 6.072 12.785 6.453 1.00 5.61 H new ATOM 0 HH22 ARG A 56 6.367 14.485 6.834 1.00 5.61 H new ATOM 815 N LEU A 57 1.343 8.385 8.314 1.00 0.40 N ATOM 816 CA LEU A 57 0.135 8.932 7.732 1.00 0.47 C ATOM 817 C LEU A 57 0.461 10.302 7.131 1.00 0.56 C ATOM 818 O LEU A 57 1.290 11.030 7.675 1.00 0.68 O ATOM 819 CB LEU A 57 -0.967 9.058 8.796 1.00 0.68 C ATOM 820 CG LEU A 57 -1.310 7.733 9.506 1.00 2.16 C ATOM 821 CD1 LEU A 57 -0.346 7.404 10.658 1.00 3.99 C ATOM 822 CD2 LEU A 57 -2.726 7.811 10.079 1.00 2.09 C ATOM 0 H LEU A 57 1.330 8.362 9.334 1.00 0.40 H new ATOM 0 HA LEU A 57 -0.232 8.266 6.951 1.00 0.47 H new ATOM 0 HB2 LEU A 57 -0.654 9.788 9.543 1.00 0.68 H new ATOM 0 HB3 LEU A 57 -1.869 9.450 8.325 1.00 0.68 H new ATOM 0 HG LEU A 57 -1.224 6.946 8.757 1.00 2.16 H new ATOM 0 HD11 LEU A 57 -0.638 6.460 11.119 1.00 3.99 H new ATOM 0 HD12 LEU A 57 0.669 7.319 10.270 1.00 3.99 H new ATOM 0 HD13 LEU A 57 -0.384 8.199 11.403 1.00 3.99 H new ATOM 0 HD21 LEU A 57 -2.968 6.874 10.581 1.00 2.09 H new ATOM 0 HD22 LEU A 57 -2.784 8.631 10.795 1.00 2.09 H new ATOM 0 HD23 LEU A 57 -3.437 7.983 9.271 1.00 2.09 H new ATOM 834 N VAL A 58 -0.207 10.653 6.033 1.00 0.73 N ATOM 835 CA VAL A 58 0.016 11.868 5.267 1.00 0.97 C ATOM 836 C VAL A 58 -1.210 12.764 5.423 1.00 0.77 C ATOM 837 O VAL A 58 -2.313 12.420 4.993 1.00 0.76 O ATOM 838 CB VAL A 58 0.241 11.507 3.792 1.00 1.50 C ATOM 839 CG1 VAL A 58 0.344 12.771 2.932 1.00 2.73 C ATOM 840 CG2 VAL A 58 1.497 10.648 3.633 1.00 1.73 C ATOM 0 H VAL A 58 -0.948 10.072 5.641 1.00 0.73 H new ATOM 0 HA VAL A 58 0.899 12.396 5.628 1.00 0.97 H new ATOM 0 HB VAL A 58 -0.618 10.930 3.450 1.00 1.50 H new ATOM 0 HG11 VAL A 58 0.503 12.491 1.891 1.00 2.73 H new ATOM 0 HG12 VAL A 58 -0.579 13.345 3.016 1.00 2.73 H new ATOM 0 HG13 VAL A 58 1.181 13.378 3.276 1.00 2.73 H new ATOM 0 HG21 VAL A 58 1.639 10.403 2.581 1.00 1.73 H new ATOM 0 HG22 VAL A 58 2.364 11.200 3.997 1.00 1.73 H new ATOM 0 HG23 VAL A 58 1.384 9.729 4.208 1.00 1.73 H new ATOM 850 N LYS A 59 -1.033 13.930 6.043 1.00 0.87 N ATOM 851 CA LYS A 59 -2.158 14.805 6.336 1.00 0.88 C ATOM 852 C LYS A 59 -2.363 15.759 5.163 1.00 0.86 C ATOM 853 O LYS A 59 -1.965 16.919 5.221 1.00 1.18 O ATOM 854 CB LYS A 59 -1.898 15.510 7.679 1.00 1.36 C ATOM 855 CG LYS A 59 -3.173 16.053 8.341 1.00 1.97 C ATOM 856 CD LYS A 59 -3.579 17.469 7.909 1.00 3.01 C ATOM 857 CE LYS A 59 -4.978 17.459 7.285 1.00 4.91 C ATOM 858 NZ LYS A 59 -5.447 18.828 6.988 1.00 6.58 N ATOM 0 H LYS A 59 -0.127 14.285 6.349 1.00 0.87 H new ATOM 0 HA LYS A 59 -3.089 14.249 6.448 1.00 0.88 H new ATOM 0 HB2 LYS A 59 -1.414 14.810 8.360 1.00 1.36 H new ATOM 0 HB3 LYS A 59 -1.202 16.333 7.520 1.00 1.36 H new ATOM 0 HG2 LYS A 59 -3.996 15.373 8.121 1.00 1.97 H new ATOM 0 HG3 LYS A 59 -3.034 16.046 9.422 1.00 1.97 H new ATOM 0 HD2 LYS A 59 -3.563 18.137 8.770 1.00 3.01 H new ATOM 0 HD3 LYS A 59 -2.857 17.858 7.191 1.00 3.01 H new ATOM 0 HE2 LYS A 59 -4.964 16.871 6.367 1.00 4.91 H new ATOM 0 HE3 LYS A 59 -5.678 16.973 7.965 1.00 4.91 H new ATOM 0 HZ1 LYS A 59 -6.397 18.786 6.567 1.00 6.58 H new ATOM 0 HZ2 LYS A 59 -5.483 19.381 7.868 1.00 6.58 H new ATOM 0 HZ3 LYS A 59 -4.792 19.282 6.320 1.00 6.58 H new ATOM 872 N GLY A 60 -3.006 15.292 4.095 1.00 0.77 N ATOM 873 CA GLY A 60 -3.365 16.156 3.003 1.00 0.94 C ATOM 874 C GLY A 60 -4.609 16.920 3.423 1.00 0.91 C ATOM 875 O GLY A 60 -5.507 16.385 4.069 1.00 1.04 O ATOM 0 H GLY A 60 -3.284 14.318 3.974 1.00 0.77 H new ATOM 0 HA2 GLY A 60 -2.551 16.843 2.773 1.00 0.94 H new ATOM 0 HA3 GLY A 60 -3.557 15.576 2.100 1.00 0.94 H new ATOM 879 N ALA A 61 -4.651 18.201 3.083 1.00 0.95 N ATOM 880 CA ALA A 61 -5.837 19.019 3.296 1.00 1.07 C ATOM 881 C ALA A 61 -6.972 18.562 2.382 1.00 1.06 C ATOM 882 O ALA A 61 -8.117 18.483 2.814 1.00 1.21 O ATOM 883 CB ALA A 61 -5.509 20.503 3.110 1.00 1.25 C ATOM 0 H ALA A 61 -3.871 18.699 2.655 1.00 0.95 H new ATOM 0 HA ALA A 61 -6.176 18.890 4.324 1.00 1.07 H new ATOM 0 HB1 ALA A 61 -6.408 21.098 3.273 1.00 1.25 H new ATOM 0 HB2 ALA A 61 -4.743 20.799 3.827 1.00 1.25 H new ATOM 0 HB3 ALA A 61 -5.142 20.670 2.097 1.00 1.25 H new ATOM 889 N ALA A 62 -6.650 18.251 1.126 1.00 1.00 N ATOM 890 CA ALA A 62 -7.616 17.763 0.155 1.00 1.07 C ATOM 891 C ALA A 62 -8.156 16.394 0.567 1.00 0.91 C ATOM 892 O ALA A 62 -9.352 16.131 0.449 1.00 0.96 O ATOM 893 CB ALA A 62 -6.964 17.687 -1.229 1.00 1.19 C ATOM 0 H ALA A 62 -5.703 18.333 0.756 1.00 1.00 H new ATOM 0 HA ALA A 62 -8.455 18.458 0.116 1.00 1.07 H new ATOM 0 HB1 ALA A 62 -7.691 17.321 -1.954 1.00 1.19 H new ATOM 0 HB2 ALA A 62 -6.624 18.679 -1.526 1.00 1.19 H new ATOM 0 HB3 ALA A 62 -6.113 17.007 -1.193 1.00 1.19 H new ATOM 899 N LYS A 63 -7.277 15.487 1.003 1.00 0.75 N ATOM 900 CA LYS A 63 -7.680 14.150 1.404 1.00 0.70 C ATOM 901 C LYS A 63 -6.608 13.601 2.338 1.00 0.65 C ATOM 902 O LYS A 63 -5.448 13.997 2.232 1.00 0.63 O ATOM 903 CB LYS A 63 -7.837 13.275 0.146 1.00 0.73 C ATOM 904 CG LYS A 63 -8.839 12.126 0.322 1.00 1.42 C ATOM 905 CD LYS A 63 -10.281 12.649 0.345 1.00 2.09 C ATOM 906 CE LYS A 63 -11.258 11.470 0.316 1.00 2.90 C ATOM 907 NZ LYS A 63 -12.666 11.923 0.316 1.00 3.31 N ATOM 0 H LYS A 63 -6.276 15.663 1.085 1.00 0.75 H new ATOM 0 HA LYS A 63 -8.637 14.159 1.926 1.00 0.70 H new ATOM 0 HB2 LYS A 63 -8.158 13.902 -0.686 1.00 0.73 H new ATOM 0 HB3 LYS A 63 -6.865 12.861 -0.123 1.00 0.73 H new ATOM 0 HG2 LYS A 63 -8.722 11.409 -0.491 1.00 1.42 H new ATOM 0 HG3 LYS A 63 -8.627 11.594 1.249 1.00 1.42 H new ATOM 0 HD2 LYS A 63 -10.446 13.249 1.240 1.00 2.09 H new ATOM 0 HD3 LYS A 63 -10.456 13.300 -0.512 1.00 2.09 H new ATOM 0 HE2 LYS A 63 -11.071 10.865 -0.571 1.00 2.90 H new ATOM 0 HE3 LYS A 63 -11.082 10.831 1.181 1.00 2.90 H new ATOM 0 HZ1 LYS A 63 -13.297 11.096 0.296 1.00 3.31 H new ATOM 0 HZ2 LYS A 63 -12.852 12.479 1.175 1.00 3.31 H new ATOM 0 HZ3 LYS A 63 -12.841 12.512 -0.523 1.00 3.31 H new ATOM 921 N HIS A 64 -6.974 12.698 3.247 1.00 0.74 N ATOM 922 CA HIS A 64 -5.996 12.008 4.073 1.00 0.68 C ATOM 923 C HIS A 64 -5.450 10.826 3.276 1.00 0.64 C ATOM 924 O HIS A 64 -6.209 10.118 2.618 1.00 0.69 O ATOM 925 CB HIS A 64 -6.649 11.544 5.379 1.00 0.70 C ATOM 926 CG HIS A 64 -7.076 12.670 6.294 1.00 0.81 C ATOM 927 ND1 HIS A 64 -7.707 12.514 7.507 1.00 1.07 N ATOM 928 CD2 HIS A 64 -6.887 14.015 6.100 1.00 0.84 C ATOM 929 CE1 HIS A 64 -7.893 13.740 8.029 1.00 1.22 C ATOM 930 NE2 HIS A 64 -7.403 14.687 7.213 1.00 1.06 N ATOM 0 H HIS A 64 -7.942 12.430 3.427 1.00 0.74 H new ATOM 0 HA HIS A 64 -5.175 12.675 4.336 1.00 0.68 H new ATOM 0 HB2 HIS A 64 -7.521 10.935 5.140 1.00 0.70 H new ATOM 0 HB3 HIS A 64 -5.949 10.902 5.914 1.00 0.70 H new ATOM 0 HD2 HIS A 64 -6.422 14.474 5.240 1.00 0.84 H new ATOM 0 HE1 HIS A 64 -8.372 13.936 8.977 1.00 1.22 H new ATOM 0 HE2 HIS A 64 -7.406 15.694 7.373 1.00 1.06 H new ATOM 938 N ILE A 65 -4.131 10.640 3.311 1.00 0.58 N ATOM 939 CA ILE A 65 -3.403 9.593 2.605 1.00 0.50 C ATOM 940 C ILE A 65 -2.550 8.896 3.665 1.00 0.47 C ATOM 941 O ILE A 65 -2.477 9.367 4.797 1.00 0.71 O ATOM 942 CB ILE A 65 -2.606 10.221 1.427 1.00 0.46 C ATOM 943 CG1 ILE A 65 -3.498 10.465 0.192 1.00 0.70 C ATOM 944 CG2 ILE A 65 -1.427 9.385 0.914 1.00 0.45 C ATOM 945 CD1 ILE A 65 -4.234 11.796 0.246 1.00 0.80 C ATOM 0 H ILE A 65 -3.516 11.243 3.857 1.00 0.58 H new ATOM 0 HA ILE A 65 -4.043 8.847 2.134 1.00 0.50 H new ATOM 0 HB ILE A 65 -2.230 11.144 1.868 1.00 0.46 H new ATOM 0 HG12 ILE A 65 -2.882 10.432 -0.707 1.00 0.70 H new ATOM 0 HG13 ILE A 65 -4.225 9.657 0.110 1.00 0.70 H new ATOM 0 HG21 ILE A 65 -0.938 9.910 0.094 1.00 0.45 H new ATOM 0 HG22 ILE A 65 -0.712 9.229 1.722 1.00 0.45 H new ATOM 0 HG23 ILE A 65 -1.791 8.420 0.561 1.00 0.45 H new ATOM 0 HD11 ILE A 65 -4.845 11.911 -0.650 1.00 0.80 H new ATOM 0 HD12 ILE A 65 -4.874 11.822 1.128 1.00 0.80 H new ATOM 0 HD13 ILE A 65 -3.511 12.610 0.298 1.00 0.80 H new ATOM 957 N ILE A 66 -1.920 7.771 3.340 1.00 0.36 N ATOM 958 CA ILE A 66 -1.044 7.035 4.235 1.00 0.34 C ATOM 959 C ILE A 66 0.186 6.655 3.415 1.00 0.35 C ATOM 960 O ILE A 66 0.064 6.354 2.226 1.00 0.40 O ATOM 961 CB ILE A 66 -1.760 5.781 4.778 1.00 0.37 C ATOM 962 CG1 ILE A 66 -3.192 6.023 5.300 1.00 0.42 C ATOM 963 CG2 ILE A 66 -0.922 5.097 5.869 1.00 0.43 C ATOM 964 CD1 ILE A 66 -3.266 6.793 6.619 1.00 0.47 C ATOM 0 H ILE A 66 -2.010 7.338 2.421 1.00 0.36 H new ATOM 0 HA ILE A 66 -0.762 7.635 5.100 1.00 0.34 H new ATOM 0 HB ILE A 66 -1.862 5.128 3.911 1.00 0.37 H new ATOM 0 HG12 ILE A 66 -3.753 6.570 4.543 1.00 0.42 H new ATOM 0 HG13 ILE A 66 -3.686 5.060 5.428 1.00 0.42 H new ATOM 0 HG21 ILE A 66 -1.450 4.216 6.234 1.00 0.43 H new ATOM 0 HG22 ILE A 66 0.040 4.797 5.454 1.00 0.43 H new ATOM 0 HG23 ILE A 66 -0.761 5.792 6.693 1.00 0.43 H new ATOM 0 HD11 ILE A 66 -4.309 6.917 6.910 1.00 0.47 H new ATOM 0 HD12 ILE A 66 -2.737 6.239 7.394 1.00 0.47 H new ATOM 0 HD13 ILE A 66 -2.805 7.773 6.495 1.00 0.47 H new ATOM 976 N HIS A 67 1.364 6.645 4.036 1.00 0.34 N ATOM 977 CA HIS A 67 2.598 6.254 3.375 1.00 0.40 C ATOM 978 C HIS A 67 3.183 5.071 4.128 1.00 0.43 C ATOM 979 O HIS A 67 3.276 5.079 5.353 1.00 0.55 O ATOM 980 CB HIS A 67 3.581 7.437 3.284 1.00 0.53 C ATOM 981 CG HIS A 67 3.446 8.289 2.040 1.00 1.02 C ATOM 982 ND1 HIS A 67 4.150 9.445 1.765 1.00 1.70 N ATOM 983 CD2 HIS A 67 2.645 8.040 0.954 1.00 1.68 C ATOM 984 CE1 HIS A 67 3.782 9.865 0.543 1.00 2.29 C ATOM 985 NE2 HIS A 67 2.862 9.044 0.008 1.00 2.32 N ATOM 0 H HIS A 67 1.485 6.909 5.014 1.00 0.34 H new ATOM 0 HA HIS A 67 2.397 5.956 2.346 1.00 0.40 H new ATOM 0 HB2 HIS A 67 3.442 8.073 4.158 1.00 0.53 H new ATOM 0 HB3 HIS A 67 4.598 7.049 3.331 1.00 0.53 H new ATOM 0 HD1 HIS A 67 4.827 9.898 2.379 1.00 1.70 H new ATOM 0 HD2 HIS A 67 1.963 7.209 0.849 1.00 1.68 H new ATOM 0 HE1 HIS A 67 4.173 10.745 0.055 1.00 2.29 H new ATOM 993 N ALA A 68 3.558 4.038 3.379 1.00 0.44 N ATOM 994 CA ALA A 68 4.056 2.785 3.903 1.00 0.52 C ATOM 995 C ALA A 68 5.519 2.638 3.513 1.00 0.36 C ATOM 996 O ALA A 68 5.961 3.091 2.454 1.00 0.39 O ATOM 997 CB ALA A 68 3.228 1.627 3.340 1.00 0.73 C ATOM 0 H ALA A 68 3.520 4.058 2.360 1.00 0.44 H new ATOM 0 HA ALA A 68 3.972 2.771 4.990 1.00 0.52 H new ATOM 0 HB1 ALA A 68 3.605 0.684 3.736 1.00 0.73 H new ATOM 0 HB2 ALA A 68 2.185 1.751 3.630 1.00 0.73 H new ATOM 0 HB3 ALA A 68 3.304 1.620 2.253 1.00 0.73 H new ATOM 1003 N VAL A 69 6.281 1.963 4.362 1.00 0.46 N ATOM 1004 CA VAL A 69 7.604 1.551 4.052 1.00 0.56 C ATOM 1005 C VAL A 69 7.490 0.380 3.079 1.00 0.68 C ATOM 1006 O VAL A 69 6.530 -0.390 3.096 1.00 1.67 O ATOM 1007 CB VAL A 69 8.304 1.218 5.375 1.00 1.20 C ATOM 1008 CG1 VAL A 69 7.742 -0.014 6.093 1.00 3.05 C ATOM 1009 CG2 VAL A 69 9.790 1.053 5.110 1.00 2.76 C ATOM 0 H VAL A 69 5.974 1.692 5.296 1.00 0.46 H new ATOM 0 HA VAL A 69 8.209 2.315 3.564 1.00 0.56 H new ATOM 0 HB VAL A 69 8.118 2.049 6.055 1.00 1.20 H new ATOM 0 HG11 VAL A 69 8.293 -0.179 7.019 1.00 3.05 H new ATOM 0 HG12 VAL A 69 6.689 0.147 6.322 1.00 3.05 H new ATOM 0 HG13 VAL A 69 7.844 -0.888 5.450 1.00 3.05 H new ATOM 0 HG21 VAL A 69 10.302 0.816 6.043 1.00 2.76 H new ATOM 0 HG22 VAL A 69 9.945 0.245 4.395 1.00 2.76 H new ATOM 0 HG23 VAL A 69 10.192 1.980 4.701 1.00 2.76 H new ATOM 1019 N GLY A 70 8.468 0.314 2.191 1.00 0.80 N ATOM 1020 CA GLY A 70 8.613 -0.715 1.184 1.00 1.17 C ATOM 1021 C GLY A 70 10.039 -0.655 0.645 1.00 1.55 C ATOM 1022 O GLY A 70 10.305 0.086 -0.297 1.00 1.80 O ATOM 0 H GLY A 70 9.214 1.009 2.154 1.00 0.80 H new ATOM 0 HA2 GLY A 70 8.409 -1.697 1.611 1.00 1.17 H new ATOM 0 HA3 GLY A 70 7.895 -0.562 0.378 1.00 1.17 H new ATOM 1026 N PRO A 71 10.985 -1.375 1.256 1.00 1.99 N ATOM 1027 CA PRO A 71 12.339 -1.475 0.770 1.00 2.35 C ATOM 1028 C PRO A 71 12.335 -2.407 -0.438 1.00 1.70 C ATOM 1029 O PRO A 71 11.283 -2.774 -0.951 1.00 1.49 O ATOM 1030 CB PRO A 71 13.137 -2.015 1.954 1.00 3.15 C ATOM 1031 CG PRO A 71 12.136 -2.966 2.598 1.00 3.07 C ATOM 1032 CD PRO A 71 10.792 -2.274 2.366 1.00 2.39 C ATOM 0 HA PRO A 71 12.778 -0.536 0.433 1.00 2.35 H new ATOM 0 HB2 PRO A 71 14.043 -2.530 1.635 1.00 3.15 H new ATOM 0 HB3 PRO A 71 13.444 -1.222 2.636 1.00 3.15 H new ATOM 0 HG2 PRO A 71 12.165 -3.953 2.137 1.00 3.07 H new ATOM 0 HG3 PRO A 71 12.339 -3.105 3.660 1.00 3.07 H new ATOM 0 HD2 PRO A 71 10.013 -3.003 2.145 1.00 2.39 H new ATOM 0 HD3 PRO A 71 10.476 -1.730 3.256 1.00 2.39 H new ATOM 1040 N ASN A 72 13.510 -2.750 -0.952 1.00 1.58 N ATOM 1041 CA ASN A 72 13.634 -3.333 -2.273 1.00 1.29 C ATOM 1042 C ASN A 72 14.424 -4.618 -2.083 1.00 1.21 C ATOM 1043 O ASN A 72 15.618 -4.521 -1.820 1.00 1.23 O ATOM 1044 CB ASN A 72 14.307 -2.368 -3.295 1.00 1.50 C ATOM 1045 CG ASN A 72 14.947 -1.081 -2.752 1.00 2.10 C ATOM 1046 OD1 ASN A 72 16.095 -0.750 -3.032 1.00 3.52 O ATOM 1047 ND2 ASN A 72 14.209 -0.262 -2.010 1.00 2.53 N ATOM 0 H ASN A 72 14.397 -2.631 -0.464 1.00 1.58 H new ATOM 0 HA ASN A 72 12.653 -3.533 -2.704 1.00 1.29 H new ATOM 0 HB2 ASN A 72 15.078 -2.927 -3.826 1.00 1.50 H new ATOM 0 HB3 ASN A 72 13.556 -2.083 -4.031 1.00 1.50 H new ATOM 0 HD21 ASN A 72 14.599 0.622 -1.685 1.00 2.53 H new ATOM 0 HD22 ASN A 72 13.252 -0.518 -1.766 1.00 2.53 H new ATOM 1054 N PHE A 73 13.800 -5.799 -2.220 1.00 1.17 N ATOM 1055 CA PHE A 73 14.481 -7.097 -2.109 1.00 1.14 C ATOM 1056 C PHE A 73 15.665 -7.157 -3.071 1.00 1.15 C ATOM 1057 O PHE A 73 16.611 -7.901 -2.844 1.00 1.14 O ATOM 1058 CB PHE A 73 13.516 -8.269 -2.356 1.00 1.18 C ATOM 1059 CG PHE A 73 14.006 -9.652 -1.959 1.00 2.00 C ATOM 1060 CD1 PHE A 73 13.444 -10.303 -0.847 1.00 2.58 C ATOM 1061 CD2 PHE A 73 14.958 -10.331 -2.745 1.00 3.29 C ATOM 1062 CE1 PHE A 73 13.842 -11.610 -0.525 1.00 3.69 C ATOM 1063 CE2 PHE A 73 15.387 -11.623 -2.393 1.00 4.32 C ATOM 1064 CZ PHE A 73 14.821 -12.269 -1.284 1.00 4.33 C ATOM 0 H PHE A 73 12.802 -5.879 -2.412 1.00 1.17 H new ATOM 0 HA PHE A 73 14.852 -7.193 -1.089 1.00 1.14 H new ATOM 0 HB2 PHE A 73 12.591 -8.068 -1.816 1.00 1.18 H new ATOM 0 HB3 PHE A 73 13.268 -8.288 -3.417 1.00 1.18 H new ATOM 0 HD1 PHE A 73 12.707 -9.798 -0.241 1.00 2.58 H new ATOM 0 HD2 PHE A 73 15.362 -9.855 -3.626 1.00 3.29 H new ATOM 0 HE1 PHE A 73 13.390 -12.114 0.316 1.00 3.69 H new ATOM 0 HE2 PHE A 73 16.151 -12.117 -2.975 1.00 4.32 H new ATOM 0 HZ PHE A 73 15.137 -13.267 -1.016 1.00 4.33 H new ATOM 1074 N ASN A 74 15.676 -6.319 -4.110 1.00 1.20 N ATOM 1075 CA ASN A 74 16.840 -6.175 -4.966 1.00 1.28 C ATOM 1076 C ASN A 74 18.161 -6.053 -4.187 1.00 1.28 C ATOM 1077 O ASN A 74 19.187 -6.539 -4.653 1.00 1.38 O ATOM 1078 CB ASN A 74 16.641 -4.989 -5.916 1.00 1.47 C ATOM 1079 CG ASN A 74 17.807 -4.848 -6.888 1.00 1.87 C ATOM 1080 OD1 ASN A 74 18.613 -3.928 -6.781 1.00 3.10 O ATOM 1081 ND2 ASN A 74 17.908 -5.743 -7.861 1.00 2.18 N ATOM 0 H ASN A 74 14.885 -5.731 -4.374 1.00 1.20 H new ATOM 0 HA ASN A 74 16.929 -7.094 -5.546 1.00 1.28 H new ATOM 0 HB2 ASN A 74 15.714 -5.121 -6.475 1.00 1.47 H new ATOM 0 HB3 ASN A 74 16.536 -4.072 -5.337 1.00 1.47 H new ATOM 0 HD21 ASN A 74 18.667 -5.675 -8.540 1.00 2.18 H new ATOM 0 HD22 ASN A 74 17.227 -6.499 -7.931 1.00 2.18 H new ATOM 1088 N LYS A 75 18.130 -5.425 -3.004 1.00 1.24 N ATOM 1089 CA LYS A 75 19.228 -5.344 -2.042 1.00 1.25 C ATOM 1090 C LYS A 75 18.733 -5.586 -0.609 1.00 1.01 C ATOM 1091 O LYS A 75 19.303 -5.055 0.339 1.00 1.01 O ATOM 1092 CB LYS A 75 19.880 -3.962 -2.163 1.00 1.59 C ATOM 1093 CG LYS A 75 20.844 -3.885 -3.354 1.00 1.82 C ATOM 1094 CD LYS A 75 20.507 -2.730 -4.293 1.00 1.88 C ATOM 1095 CE LYS A 75 21.422 -2.842 -5.514 1.00 2.18 C ATOM 1096 NZ LYS A 75 20.867 -2.129 -6.682 1.00 3.20 N ATOM 0 H LYS A 75 17.295 -4.937 -2.680 1.00 1.24 H new ATOM 0 HA LYS A 75 19.959 -6.121 -2.264 1.00 1.25 H new ATOM 0 HB2 LYS A 75 19.105 -3.204 -2.274 1.00 1.59 H new ATOM 0 HB3 LYS A 75 20.420 -3.734 -1.244 1.00 1.59 H new ATOM 0 HG2 LYS A 75 21.864 -3.767 -2.987 1.00 1.82 H new ATOM 0 HG3 LYS A 75 20.811 -4.823 -3.908 1.00 1.82 H new ATOM 0 HD2 LYS A 75 19.460 -2.775 -4.594 1.00 1.88 H new ATOM 0 HD3 LYS A 75 20.654 -1.774 -3.791 1.00 1.88 H new ATOM 0 HE2 LYS A 75 22.403 -2.434 -5.272 1.00 2.18 H new ATOM 0 HE3 LYS A 75 21.567 -3.893 -5.765 1.00 2.18 H new ATOM 0 HZ1 LYS A 75 21.553 -2.156 -7.463 1.00 3.20 H new ATOM 0 HZ2 LYS A 75 19.983 -2.588 -6.981 1.00 3.20 H new ATOM 0 HZ3 LYS A 75 20.673 -1.140 -6.425 1.00 3.20 H new ATOM 1110 N VAL A 76 17.703 -6.407 -0.425 1.00 0.88 N ATOM 1111 CA VAL A 76 17.209 -6.785 0.899 1.00 0.80 C ATOM 1112 C VAL A 76 16.988 -8.295 0.935 1.00 0.78 C ATOM 1113 O VAL A 76 16.566 -8.881 -0.057 1.00 0.88 O ATOM 1114 CB VAL A 76 15.959 -5.948 1.246 1.00 0.87 C ATOM 1115 CG1 VAL A 76 14.790 -6.743 1.832 1.00 0.74 C ATOM 1116 CG2 VAL A 76 16.368 -4.852 2.224 1.00 1.06 C ATOM 0 H VAL A 76 17.184 -6.832 -1.193 1.00 0.88 H new ATOM 0 HA VAL A 76 17.939 -6.562 1.677 1.00 0.80 H new ATOM 0 HB VAL A 76 15.589 -5.544 0.304 1.00 0.87 H new ATOM 0 HG11 VAL A 76 13.960 -6.068 2.043 1.00 0.74 H new ATOM 0 HG12 VAL A 76 14.469 -7.500 1.116 1.00 0.74 H new ATOM 0 HG13 VAL A 76 15.106 -7.228 2.755 1.00 0.74 H new ATOM 0 HG21 VAL A 76 15.497 -4.250 2.481 1.00 1.06 H new ATOM 0 HG22 VAL A 76 16.776 -5.305 3.128 1.00 1.06 H new ATOM 0 HG23 VAL A 76 17.125 -4.217 1.763 1.00 1.06 H new ATOM 1126 N SER A 77 17.292 -8.939 2.066 1.00 0.73 N ATOM 1127 CA SER A 77 17.102 -10.372 2.221 1.00 0.74 C ATOM 1128 C SER A 77 15.693 -10.644 2.722 1.00 0.73 C ATOM 1129 O SER A 77 15.090 -9.783 3.354 1.00 0.72 O ATOM 1130 CB SER A 77 18.124 -10.908 3.223 1.00 0.77 C ATOM 1131 OG SER A 77 19.425 -10.704 2.717 1.00 1.44 O ATOM 0 H SER A 77 17.674 -8.478 2.892 1.00 0.73 H new ATOM 0 HA SER A 77 17.241 -10.870 1.261 1.00 0.74 H new ATOM 0 HB2 SER A 77 18.011 -10.401 4.181 1.00 0.77 H new ATOM 0 HB3 SER A 77 17.953 -11.970 3.401 1.00 0.77 H new ATOM 0 HG SER A 77 20.083 -11.045 3.358 1.00 1.44 H new ATOM 1137 N GLU A 78 15.194 -11.864 2.520 1.00 0.80 N ATOM 1138 CA GLU A 78 13.842 -12.254 2.916 1.00 0.85 C ATOM 1139 C GLU A 78 13.623 -12.111 4.414 1.00 0.83 C ATOM 1140 O GLU A 78 12.497 -11.946 4.850 1.00 0.82 O ATOM 1141 CB GLU A 78 13.564 -13.707 2.498 1.00 0.94 C ATOM 1142 CG GLU A 78 12.201 -13.877 1.800 1.00 1.45 C ATOM 1143 CD GLU A 78 11.331 -14.953 2.454 1.00 2.49 C ATOM 1144 OE1 GLU A 78 11.810 -16.107 2.516 1.00 3.10 O ATOM 1145 OE2 GLU A 78 10.199 -14.611 2.857 1.00 3.67 O ATOM 0 H GLU A 78 15.721 -12.614 2.074 1.00 0.80 H new ATOM 0 HA GLU A 78 13.151 -11.582 2.407 1.00 0.85 H new ATOM 0 HB2 GLU A 78 14.355 -14.045 1.828 1.00 0.94 H new ATOM 0 HB3 GLU A 78 13.598 -14.347 3.380 1.00 0.94 H new ATOM 0 HG2 GLU A 78 11.668 -12.926 1.816 1.00 1.45 H new ATOM 0 HG3 GLU A 78 12.363 -14.134 0.753 1.00 1.45 H new ATOM 1152 N VAL A 79 14.686 -12.166 5.212 1.00 0.84 N ATOM 1153 CA VAL A 79 14.564 -11.974 6.651 1.00 0.90 C ATOM 1154 C VAL A 79 14.100 -10.548 6.921 1.00 0.82 C ATOM 1155 O VAL A 79 13.218 -10.304 7.743 1.00 0.84 O ATOM 1156 CB VAL A 79 15.913 -12.276 7.326 1.00 1.01 C ATOM 1157 CG1 VAL A 79 15.931 -11.888 8.810 1.00 1.22 C ATOM 1158 CG2 VAL A 79 16.225 -13.772 7.206 1.00 1.11 C ATOM 0 H VAL A 79 15.637 -12.341 4.887 1.00 0.84 H new ATOM 0 HA VAL A 79 13.826 -12.658 7.069 1.00 0.90 H new ATOM 0 HB VAL A 79 16.666 -11.677 6.814 1.00 1.01 H new ATOM 0 HG11 VAL A 79 16.907 -12.123 9.236 1.00 1.22 H new ATOM 0 HG12 VAL A 79 15.740 -10.819 8.909 1.00 1.22 H new ATOM 0 HG13 VAL A 79 15.160 -12.445 9.341 1.00 1.22 H new ATOM 0 HG21 VAL A 79 17.181 -13.984 7.685 1.00 1.11 H new ATOM 0 HG22 VAL A 79 15.439 -14.348 7.695 1.00 1.11 H new ATOM 0 HG23 VAL A 79 16.277 -14.050 6.153 1.00 1.11 H new ATOM 1168 N GLU A 80 14.714 -9.586 6.239 1.00 0.75 N ATOM 1169 CA GLU A 80 14.380 -8.199 6.470 1.00 0.71 C ATOM 1170 C GLU A 80 13.065 -7.872 5.792 1.00 0.59 C ATOM 1171 O GLU A 80 12.252 -7.176 6.378 1.00 0.55 O ATOM 1172 CB GLU A 80 15.542 -7.317 6.014 1.00 0.79 C ATOM 1173 CG GLU A 80 15.234 -5.832 6.244 1.00 1.07 C ATOM 1174 CD GLU A 80 16.519 -5.029 6.436 1.00 2.14 C ATOM 1175 OE1 GLU A 80 17.358 -5.062 5.510 1.00 3.47 O ATOM 1176 OE2 GLU A 80 16.656 -4.412 7.516 1.00 2.60 O ATOM 0 H GLU A 80 15.434 -9.745 5.534 1.00 0.75 H new ATOM 0 HA GLU A 80 14.235 -8.003 7.532 1.00 0.71 H new ATOM 0 HB2 GLU A 80 16.446 -7.592 6.557 1.00 0.79 H new ATOM 0 HB3 GLU A 80 15.741 -7.490 4.956 1.00 0.79 H new ATOM 0 HG2 GLU A 80 14.678 -5.437 5.394 1.00 1.07 H new ATOM 0 HG3 GLU A 80 14.597 -5.721 7.122 1.00 1.07 H new ATOM 1183 N GLY A 81 12.804 -8.394 4.596 1.00 0.59 N ATOM 1184 CA GLY A 81 11.542 -8.140 3.928 1.00 0.54 C ATOM 1185 C GLY A 81 10.369 -8.865 4.569 1.00 0.52 C ATOM 1186 O GLY A 81 9.243 -8.415 4.409 1.00 0.49 O ATOM 0 H GLY A 81 13.448 -8.991 4.077 1.00 0.59 H new ATOM 0 HA2 GLY A 81 11.345 -7.068 3.933 1.00 0.54 H new ATOM 0 HA3 GLY A 81 11.623 -8.444 2.885 1.00 0.54 H new ATOM 1190 N ASP A 82 10.596 -9.960 5.293 1.00 0.59 N ATOM 1191 CA ASP A 82 9.549 -10.607 6.074 1.00 0.62 C ATOM 1192 C ASP A 82 9.106 -9.626 7.138 1.00 0.56 C ATOM 1193 O ASP A 82 7.932 -9.269 7.222 1.00 0.51 O ATOM 1194 CB ASP A 82 10.064 -11.898 6.726 1.00 0.81 C ATOM 1195 CG ASP A 82 9.170 -12.341 7.888 1.00 1.13 C ATOM 1196 OD1 ASP A 82 8.108 -12.935 7.607 1.00 1.52 O ATOM 1197 OD2 ASP A 82 9.560 -12.061 9.045 1.00 2.15 O ATOM 0 H ASP A 82 11.505 -10.419 5.353 1.00 0.59 H new ATOM 0 HA ASP A 82 8.716 -10.882 5.426 1.00 0.62 H new ATOM 0 HB2 ASP A 82 10.109 -12.690 5.979 1.00 0.81 H new ATOM 0 HB3 ASP A 82 11.081 -11.743 7.087 1.00 0.81 H new ATOM 1202 N LYS A 83 10.065 -9.136 7.926 1.00 0.58 N ATOM 1203 CA LYS A 83 9.696 -8.250 9.010 1.00 0.56 C ATOM 1204 C LYS A 83 9.114 -6.981 8.442 1.00 0.48 C ATOM 1205 O LYS A 83 8.092 -6.542 8.932 1.00 0.47 O ATOM 1206 CB LYS A 83 10.855 -7.934 9.950 1.00 0.69 C ATOM 1207 CG LYS A 83 11.095 -9.091 10.926 1.00 0.76 C ATOM 1208 CD LYS A 83 11.774 -8.554 12.187 1.00 1.89 C ATOM 1209 CE LYS A 83 11.999 -9.695 13.179 1.00 2.42 C ATOM 1210 NZ LYS A 83 12.554 -9.194 14.454 1.00 3.68 N ATOM 0 H LYS A 83 11.062 -9.332 7.834 1.00 0.58 H new ATOM 0 HA LYS A 83 8.951 -8.768 9.614 1.00 0.56 H new ATOM 0 HB2 LYS A 83 11.759 -7.748 9.370 1.00 0.69 H new ATOM 0 HB3 LYS A 83 10.640 -7.022 10.506 1.00 0.69 H new ATOM 0 HG2 LYS A 83 10.149 -9.568 11.183 1.00 0.76 H new ATOM 0 HG3 LYS A 83 11.719 -9.853 10.459 1.00 0.76 H new ATOM 0 HD2 LYS A 83 12.726 -8.091 11.929 1.00 1.89 H new ATOM 0 HD3 LYS A 83 11.156 -7.780 12.643 1.00 1.89 H new ATOM 0 HE2 LYS A 83 11.056 -10.208 13.367 1.00 2.42 H new ATOM 0 HE3 LYS A 83 12.680 -10.428 12.746 1.00 2.42 H new ATOM 0 HZ1 LYS A 83 12.696 -9.990 15.108 1.00 3.68 H new ATOM 0 HZ2 LYS A 83 13.465 -8.726 14.276 1.00 3.68 H new ATOM 0 HZ3 LYS A 83 11.892 -8.513 14.877 1.00 3.68 H new ATOM 1224 N GLN A 84 9.720 -6.395 7.413 1.00 0.48 N ATOM 1225 CA GLN A 84 9.254 -5.141 6.849 1.00 0.49 C ATOM 1226 C GLN A 84 7.842 -5.342 6.334 1.00 0.48 C ATOM 1227 O GLN A 84 7.013 -4.455 6.482 1.00 0.52 O ATOM 1228 CB GLN A 84 10.204 -4.621 5.754 1.00 0.59 C ATOM 1229 CG GLN A 84 9.769 -4.917 4.311 1.00 2.91 C ATOM 1230 CD GLN A 84 8.624 -4.025 3.821 1.00 4.21 C ATOM 1231 OE1 GLN A 84 8.554 -2.850 4.148 1.00 3.47 O ATOM 1232 NE2 GLN A 84 7.727 -4.549 2.998 1.00 6.31 N ATOM 0 H GLN A 84 10.545 -6.778 6.951 1.00 0.48 H new ATOM 0 HA GLN A 84 9.246 -4.372 7.622 1.00 0.49 H new ATOM 0 HB2 GLN A 84 10.309 -3.542 5.870 1.00 0.59 H new ATOM 0 HB3 GLN A 84 11.190 -5.057 5.915 1.00 0.59 H new ATOM 0 HG2 GLN A 84 10.626 -4.791 3.649 1.00 2.91 H new ATOM 0 HG3 GLN A 84 9.462 -5.960 4.240 1.00 2.91 H new ATOM 0 HE21 GLN A 84 7.793 -5.531 2.730 1.00 6.31 H new ATOM 0 HE22 GLN A 84 6.971 -3.970 2.632 1.00 6.31 H new ATOM 1241 N LEU A 85 7.559 -6.479 5.692 1.00 0.48 N ATOM 1242 CA LEU A 85 6.241 -6.675 5.115 1.00 0.50 C ATOM 1243 C LEU A 85 5.238 -6.743 6.253 1.00 0.48 C ATOM 1244 O LEU A 85 4.178 -6.129 6.179 1.00 0.50 O ATOM 1245 CB LEU A 85 6.228 -7.922 4.219 1.00 0.52 C ATOM 1246 CG LEU A 85 4.884 -8.192 3.520 1.00 0.62 C ATOM 1247 CD1 LEU A 85 4.352 -6.946 2.807 1.00 0.94 C ATOM 1248 CD2 LEU A 85 5.087 -9.290 2.473 1.00 0.82 C ATOM 0 H LEU A 85 8.210 -7.254 5.564 1.00 0.48 H new ATOM 0 HA LEU A 85 5.966 -5.843 4.466 1.00 0.50 H new ATOM 0 HB2 LEU A 85 7.003 -7.816 3.460 1.00 0.52 H new ATOM 0 HB3 LEU A 85 6.490 -8.791 4.823 1.00 0.52 H new ATOM 0 HG LEU A 85 4.163 -8.490 4.281 1.00 0.62 H new ATOM 0 HD11 LEU A 85 3.402 -7.180 2.327 1.00 0.94 H new ATOM 0 HD12 LEU A 85 4.205 -6.146 3.533 1.00 0.94 H new ATOM 0 HD13 LEU A 85 5.070 -6.624 2.053 1.00 0.94 H new ATOM 0 HD21 LEU A 85 4.142 -9.492 1.969 1.00 0.82 H new ATOM 0 HD22 LEU A 85 5.825 -8.963 1.741 1.00 0.82 H new ATOM 0 HD23 LEU A 85 5.439 -10.198 2.962 1.00 0.82 H new ATOM 1260 N ALA A 86 5.604 -7.427 7.336 1.00 0.44 N ATOM 1261 CA ALA A 86 4.739 -7.513 8.494 1.00 0.43 C ATOM 1262 C ALA A 86 4.702 -6.202 9.267 1.00 0.38 C ATOM 1263 O ALA A 86 3.737 -5.969 9.966 1.00 0.39 O ATOM 1264 CB ALA A 86 5.218 -8.646 9.405 1.00 0.45 C ATOM 0 H ALA A 86 6.490 -7.924 7.428 1.00 0.44 H new ATOM 0 HA ALA A 86 3.726 -7.719 8.147 1.00 0.43 H new ATOM 0 HB1 ALA A 86 4.567 -8.711 10.277 1.00 0.45 H new ATOM 0 HB2 ALA A 86 5.189 -9.589 8.859 1.00 0.45 H new ATOM 0 HB3 ALA A 86 6.239 -8.446 9.729 1.00 0.45 H new ATOM 1270 N GLU A 87 5.707 -5.339 9.167 1.00 0.39 N ATOM 1271 CA GLU A 87 5.806 -4.090 9.908 1.00 0.38 C ATOM 1272 C GLU A 87 5.020 -3.008 9.183 1.00 0.35 C ATOM 1273 O GLU A 87 4.420 -2.135 9.803 1.00 0.34 O ATOM 1274 CB GLU A 87 7.278 -3.681 10.046 1.00 0.37 C ATOM 1275 CG GLU A 87 7.922 -4.325 11.280 1.00 0.48 C ATOM 1276 CD GLU A 87 9.004 -3.436 11.895 1.00 0.82 C ATOM 1277 OE1 GLU A 87 8.840 -3.063 13.078 1.00 2.33 O ATOM 1278 OE2 GLU A 87 9.995 -3.167 11.179 1.00 1.53 O ATOM 0 H GLU A 87 6.501 -5.496 8.547 1.00 0.39 H new ATOM 0 HA GLU A 87 5.388 -4.224 10.906 1.00 0.38 H new ATOM 0 HB2 GLU A 87 7.825 -3.977 9.151 1.00 0.37 H new ATOM 0 HB3 GLU A 87 7.351 -2.596 10.120 1.00 0.37 H new ATOM 0 HG2 GLU A 87 7.153 -4.528 12.025 1.00 0.48 H new ATOM 0 HG3 GLU A 87 8.357 -5.285 11.002 1.00 0.48 H new ATOM 1285 N ALA A 88 4.980 -3.088 7.857 1.00 0.39 N ATOM 1286 CA ALA A 88 4.126 -2.242 7.055 1.00 0.41 C ATOM 1287 C ALA A 88 2.691 -2.635 7.376 1.00 0.40 C ATOM 1288 O ALA A 88 1.879 -1.805 7.770 1.00 0.42 O ATOM 1289 CB ALA A 88 4.453 -2.427 5.568 1.00 0.43 C ATOM 0 H ALA A 88 5.542 -3.744 7.315 1.00 0.39 H new ATOM 0 HA ALA A 88 4.278 -1.186 7.278 1.00 0.41 H new ATOM 0 HB1 ALA A 88 3.805 -1.786 4.970 1.00 0.43 H new ATOM 0 HB2 ALA A 88 5.494 -2.159 5.388 1.00 0.43 H new ATOM 0 HB3 ALA A 88 4.293 -3.468 5.287 1.00 0.43 H new ATOM 1295 N TYR A 89 2.390 -3.924 7.235 1.00 0.40 N ATOM 1296 CA TYR A 89 1.076 -4.494 7.448 1.00 0.41 C ATOM 1297 C TYR A 89 0.641 -4.371 8.901 1.00 0.40 C ATOM 1298 O TYR A 89 -0.544 -4.199 9.139 1.00 0.40 O ATOM 1299 CB TYR A 89 1.103 -5.945 6.946 1.00 0.42 C ATOM 1300 CG TYR A 89 1.021 -6.116 5.429 1.00 0.47 C ATOM 1301 CD1 TYR A 89 1.219 -5.026 4.549 1.00 1.62 C ATOM 1302 CD2 TYR A 89 0.748 -7.387 4.888 1.00 1.85 C ATOM 1303 CE1 TYR A 89 1.143 -5.204 3.158 1.00 1.63 C ATOM 1304 CE2 TYR A 89 0.682 -7.571 3.493 1.00 1.88 C ATOM 1305 CZ TYR A 89 0.876 -6.480 2.621 1.00 0.61 C ATOM 1306 OH TYR A 89 0.810 -6.633 1.268 1.00 0.68 O ATOM 0 H TYR A 89 3.084 -4.619 6.959 1.00 0.40 H new ATOM 0 HA TYR A 89 0.325 -3.941 6.883 1.00 0.41 H new ATOM 0 HB2 TYR A 89 2.020 -6.416 7.299 1.00 0.42 H new ATOM 0 HB3 TYR A 89 0.272 -6.484 7.401 1.00 0.42 H new ATOM 0 HD1 TYR A 89 1.431 -4.046 4.951 1.00 1.62 H new ATOM 0 HD2 TYR A 89 0.588 -8.227 5.548 1.00 1.85 H new ATOM 0 HE1 TYR A 89 1.289 -4.362 2.498 1.00 1.63 H new ATOM 0 HE2 TYR A 89 0.482 -8.553 3.089 1.00 1.88 H new ATOM 0 HH TYR A 89 1.569 -7.172 0.962 1.00 0.68 H new ATOM 1316 N GLU A 90 1.550 -4.394 9.872 1.00 0.40 N ATOM 1317 CA GLU A 90 1.212 -4.174 11.270 1.00 0.40 C ATOM 1318 C GLU A 90 0.932 -2.704 11.467 1.00 0.36 C ATOM 1319 O GLU A 90 -0.060 -2.353 12.082 1.00 0.38 O ATOM 1320 CB GLU A 90 2.324 -4.600 12.241 1.00 0.46 C ATOM 1321 CG GLU A 90 2.247 -6.096 12.581 1.00 1.44 C ATOM 1322 CD GLU A 90 2.130 -6.319 14.090 1.00 2.05 C ATOM 1323 OE1 GLU A 90 3.128 -6.776 14.689 1.00 2.81 O ATOM 1324 OE2 GLU A 90 1.041 -6.012 14.624 1.00 2.63 O ATOM 0 H GLU A 90 2.542 -4.566 9.709 1.00 0.40 H new ATOM 0 HA GLU A 90 0.341 -4.790 11.494 1.00 0.40 H new ATOM 0 HB2 GLU A 90 3.296 -4.378 11.800 1.00 0.46 H new ATOM 0 HB3 GLU A 90 2.249 -4.015 13.158 1.00 0.46 H new ATOM 0 HG2 GLU A 90 1.389 -6.541 12.078 1.00 1.44 H new ATOM 0 HG3 GLU A 90 3.136 -6.603 12.204 1.00 1.44 H new ATOM 1331 N SER A 91 1.778 -1.820 10.950 1.00 0.36 N ATOM 1332 CA SER A 91 1.588 -0.398 11.143 1.00 0.39 C ATOM 1333 C SER A 91 0.291 0.039 10.479 1.00 0.36 C ATOM 1334 O SER A 91 -0.338 0.966 10.979 1.00 0.46 O ATOM 1335 CB SER A 91 2.800 0.385 10.628 1.00 0.52 C ATOM 1336 OG SER A 91 2.717 1.746 11.022 1.00 1.67 O ATOM 0 H SER A 91 2.598 -2.068 10.396 1.00 0.36 H new ATOM 0 HA SER A 91 1.506 -0.182 12.208 1.00 0.39 H new ATOM 0 HB2 SER A 91 3.718 -0.057 11.017 1.00 0.52 H new ATOM 0 HB3 SER A 91 2.849 0.317 9.541 1.00 0.52 H new ATOM 0 HG SER A 91 3.494 1.975 11.574 1.00 1.67 H new ATOM 1342 N ILE A 92 -0.125 -0.599 9.386 1.00 0.38 N ATOM 1343 CA ILE A 92 -1.384 -0.282 8.744 1.00 0.43 C ATOM 1344 C ILE A 92 -2.511 -0.932 9.549 1.00 0.44 C ATOM 1345 O ILE A 92 -3.520 -0.290 9.803 1.00 0.50 O ATOM 1346 CB ILE A 92 -1.326 -0.688 7.254 1.00 0.47 C ATOM 1347 CG1 ILE A 92 -0.896 0.504 6.377 1.00 0.56 C ATOM 1348 CG2 ILE A 92 -2.662 -1.187 6.721 1.00 0.56 C ATOM 1349 CD1 ILE A 92 0.620 0.621 6.298 1.00 0.75 C ATOM 0 H ILE A 92 0.402 -1.343 8.929 1.00 0.38 H new ATOM 0 HA ILE A 92 -1.585 0.789 8.738 1.00 0.43 H new ATOM 0 HB ILE A 92 -0.599 -1.498 7.203 1.00 0.47 H new ATOM 0 HG12 ILE A 92 -1.305 0.385 5.374 1.00 0.56 H new ATOM 0 HG13 ILE A 92 -1.312 1.425 6.784 1.00 0.56 H new ATOM 0 HG21 ILE A 92 -2.557 -1.457 5.670 1.00 0.56 H new ATOM 0 HG22 ILE A 92 -2.977 -2.062 7.290 1.00 0.56 H new ATOM 0 HG23 ILE A 92 -3.410 -0.401 6.821 1.00 0.56 H new ATOM 0 HD11 ILE A 92 0.887 1.472 5.672 1.00 0.75 H new ATOM 0 HD12 ILE A 92 1.026 0.765 7.299 1.00 0.75 H new ATOM 0 HD13 ILE A 92 1.033 -0.291 5.867 1.00 0.75 H new ATOM 1361 N ALA A 93 -2.347 -2.179 9.985 1.00 0.44 N ATOM 1362 CA ALA A 93 -3.381 -2.941 10.688 1.00 0.51 C ATOM 1363 C ALA A 93 -3.783 -2.243 11.981 1.00 0.48 C ATOM 1364 O ALA A 93 -4.951 -1.980 12.259 1.00 0.50 O ATOM 1365 CB ALA A 93 -2.845 -4.330 11.031 1.00 0.68 C ATOM 0 H ALA A 93 -1.478 -2.698 9.859 1.00 0.44 H new ATOM 0 HA ALA A 93 -4.252 -3.017 10.037 1.00 0.51 H new ATOM 0 HB1 ALA A 93 -3.614 -4.898 11.554 1.00 0.68 H new ATOM 0 HB2 ALA A 93 -2.571 -4.851 10.114 1.00 0.68 H new ATOM 0 HB3 ALA A 93 -1.967 -4.234 11.670 1.00 0.68 H new ATOM 1371 N LYS A 94 -2.797 -1.937 12.809 1.00 0.49 N ATOM 1372 CA LYS A 94 -3.001 -1.177 14.018 1.00 0.49 C ATOM 1373 C LYS A 94 -3.641 0.157 13.658 1.00 0.44 C ATOM 1374 O LYS A 94 -4.594 0.538 14.320 1.00 0.50 O ATOM 1375 CB LYS A 94 -1.690 -1.084 14.810 1.00 0.48 C ATOM 1376 CG LYS A 94 -0.578 -0.318 14.105 1.00 2.40 C ATOM 1377 CD LYS A 94 -0.406 1.078 14.700 1.00 3.66 C ATOM 1378 CE LYS A 94 0.704 1.806 13.944 1.00 5.61 C ATOM 1379 NZ LYS A 94 0.909 3.165 14.483 1.00 7.09 N ATOM 0 H LYS A 94 -1.828 -2.214 12.654 1.00 0.49 H new ATOM 0 HA LYS A 94 -3.698 -1.673 14.694 1.00 0.49 H new ATOM 0 HB2 LYS A 94 -1.892 -0.605 15.768 1.00 0.48 H new ATOM 0 HB3 LYS A 94 -1.338 -2.093 15.026 1.00 0.48 H new ATOM 0 HG2 LYS A 94 0.358 -0.870 14.190 1.00 2.40 H new ATOM 0 HG3 LYS A 94 -0.805 -0.238 13.042 1.00 2.40 H new ATOM 0 HD2 LYS A 94 -1.340 1.636 14.628 1.00 3.66 H new ATOM 0 HD3 LYS A 94 -0.157 1.008 15.759 1.00 3.66 H new ATOM 0 HE2 LYS A 94 1.632 1.238 14.017 1.00 5.61 H new ATOM 0 HE3 LYS A 94 0.450 1.865 12.886 1.00 5.61 H new ATOM 0 HZ1 LYS A 94 1.668 3.638 13.952 1.00 7.09 H new ATOM 0 HZ2 LYS A 94 0.029 3.712 14.390 1.00 7.09 H new ATOM 0 HZ3 LYS A 94 1.174 3.104 15.487 1.00 7.09 H new ATOM 1393 N ILE A 95 -3.211 0.831 12.583 1.00 0.38 N ATOM 1394 CA ILE A 95 -3.828 2.098 12.179 1.00 0.35 C ATOM 1395 C ILE A 95 -5.304 1.900 11.826 1.00 0.38 C ATOM 1396 O ILE A 95 -6.125 2.778 12.062 1.00 0.37 O ATOM 1397 CB ILE A 95 -3.026 2.745 11.034 1.00 0.35 C ATOM 1398 CG1 ILE A 95 -1.831 3.488 11.650 1.00 0.59 C ATOM 1399 CG2 ILE A 95 -3.854 3.711 10.176 1.00 0.76 C ATOM 1400 CD1 ILE A 95 -0.796 3.909 10.603 1.00 0.55 C ATOM 0 H ILE A 95 -2.446 0.523 11.983 1.00 0.38 H new ATOM 0 HA ILE A 95 -3.800 2.790 13.021 1.00 0.35 H new ATOM 0 HB ILE A 95 -2.702 1.950 10.363 1.00 0.35 H new ATOM 0 HG12 ILE A 95 -2.190 4.372 12.177 1.00 0.59 H new ATOM 0 HG13 ILE A 95 -1.353 2.848 12.391 1.00 0.59 H new ATOM 0 HG21 ILE A 95 -3.226 4.129 9.390 1.00 0.76 H new ATOM 0 HG22 ILE A 95 -4.689 3.174 9.726 1.00 0.76 H new ATOM 0 HG23 ILE A 95 -4.236 4.517 10.802 1.00 0.76 H new ATOM 0 HD11 ILE A 95 0.026 4.430 11.093 1.00 0.55 H new ATOM 0 HD12 ILE A 95 -0.413 3.025 10.094 1.00 0.55 H new ATOM 0 HD13 ILE A 95 -1.263 4.573 9.876 1.00 0.55 H new ATOM 1412 N VAL A 96 -5.665 0.756 11.258 1.00 0.45 N ATOM 1413 CA VAL A 96 -7.022 0.465 10.828 1.00 0.50 C ATOM 1414 C VAL A 96 -7.925 0.388 12.052 1.00 0.54 C ATOM 1415 O VAL A 96 -9.066 0.835 12.019 1.00 0.54 O ATOM 1416 CB VAL A 96 -7.009 -0.833 9.996 1.00 0.61 C ATOM 1417 CG1 VAL A 96 -8.405 -1.415 9.739 1.00 0.68 C ATOM 1418 CG2 VAL A 96 -6.285 -0.625 8.658 1.00 0.72 C ATOM 0 H VAL A 96 -5.011 -0.006 11.082 1.00 0.45 H new ATOM 0 HA VAL A 96 -7.420 1.254 10.190 1.00 0.50 H new ATOM 0 HB VAL A 96 -6.467 -1.559 10.602 1.00 0.61 H new ATOM 0 HG11 VAL A 96 -8.316 -2.327 9.148 1.00 0.68 H new ATOM 0 HG12 VAL A 96 -8.884 -1.645 10.691 1.00 0.68 H new ATOM 0 HG13 VAL A 96 -9.008 -0.688 9.195 1.00 0.68 H new ATOM 0 HG21 VAL A 96 -6.291 -1.557 8.092 1.00 0.72 H new ATOM 0 HG22 VAL A 96 -6.794 0.150 8.086 1.00 0.72 H new ATOM 0 HG23 VAL A 96 -5.255 -0.321 8.845 1.00 0.72 H new ATOM 1428 N ASN A 97 -7.418 -0.160 13.151 1.00 0.62 N ATOM 1429 CA ASN A 97 -8.218 -0.317 14.357 1.00 0.74 C ATOM 1430 C ASN A 97 -8.233 0.990 15.140 1.00 0.73 C ATOM 1431 O ASN A 97 -9.255 1.356 15.717 1.00 0.82 O ATOM 1432 CB ASN A 97 -7.641 -1.435 15.233 1.00 0.83 C ATOM 1433 CG ASN A 97 -7.906 -2.817 14.653 1.00 0.72 C ATOM 1434 OD1 ASN A 97 -8.926 -3.427 14.943 1.00 1.45 O ATOM 1435 ND2 ASN A 97 -7.006 -3.341 13.833 1.00 1.66 N ATOM 0 H ASN A 97 -6.460 -0.501 13.230 1.00 0.62 H new ATOM 0 HA ASN A 97 -9.237 -0.580 14.071 1.00 0.74 H new ATOM 0 HB2 ASN A 97 -6.566 -1.289 15.343 1.00 0.83 H new ATOM 0 HB3 ASN A 97 -8.075 -1.373 16.231 1.00 0.83 H new ATOM 0 HD21 ASN A 97 -7.158 -4.267 13.433 1.00 1.66 H new ATOM 0 HD22 ASN A 97 -6.161 -2.818 13.602 1.00 1.66 H new ATOM 1442 N ASP A 98 -7.092 1.679 15.135 1.00 0.63 N ATOM 1443 CA ASP A 98 -6.817 2.927 15.844 1.00 0.67 C ATOM 1444 C ASP A 98 -7.786 3.988 15.332 1.00 0.70 C ATOM 1445 O ASP A 98 -8.495 4.647 16.085 1.00 0.76 O ATOM 1446 CB ASP A 98 -5.347 3.286 15.568 1.00 0.57 C ATOM 1447 CG ASP A 98 -4.793 4.501 16.306 1.00 1.51 C ATOM 1448 OD1 ASP A 98 -3.592 4.777 16.074 1.00 2.48 O ATOM 1449 OD2 ASP A 98 -5.541 5.106 17.099 1.00 2.77 O ATOM 0 H ASP A 98 -6.284 1.359 14.601 1.00 0.63 H new ATOM 0 HA ASP A 98 -6.960 2.846 16.922 1.00 0.67 H new ATOM 0 HB2 ASP A 98 -4.732 2.423 15.822 1.00 0.57 H new ATOM 0 HB3 ASP A 98 -5.232 3.456 14.497 1.00 0.57 H new ATOM 1454 N ASN A 99 -7.890 4.077 14.007 1.00 0.65 N ATOM 1455 CA ASN A 99 -8.800 5.007 13.351 1.00 0.68 C ATOM 1456 C ASN A 99 -10.196 4.405 13.167 1.00 0.73 C ATOM 1457 O ASN A 99 -11.096 5.069 12.657 1.00 0.75 O ATOM 1458 CB ASN A 99 -8.213 5.388 11.996 1.00 0.64 C ATOM 1459 CG ASN A 99 -8.385 6.874 11.711 1.00 0.72 C ATOM 1460 OD1 ASN A 99 -7.422 7.596 11.495 1.00 1.05 O ATOM 1461 ND2 ASN A 99 -9.614 7.369 11.718 1.00 2.12 N ATOM 0 H ASN A 99 -7.345 3.506 13.361 1.00 0.65 H new ATOM 0 HA ASN A 99 -8.910 5.889 13.981 1.00 0.68 H new ATOM 0 HB2 ASN A 99 -7.154 5.132 11.972 1.00 0.64 H new ATOM 0 HB3 ASN A 99 -8.699 4.807 11.212 1.00 0.64 H new ATOM 0 HD21 ASN A 99 -9.765 8.362 11.542 1.00 2.12 H new ATOM 0 HD22 ASN A 99 -10.409 6.757 11.899 1.00 2.12 H new ATOM 1468 N ASN A 100 -10.348 3.141 13.558 1.00 0.79 N ATOM 1469 CA ASN A 100 -11.538 2.306 13.489 1.00 0.83 C ATOM 1470 C ASN A 100 -12.224 2.354 12.134 1.00 0.78 C ATOM 1471 O ASN A 100 -13.438 2.511 12.017 1.00 0.80 O ATOM 1472 CB ASN A 100 -12.491 2.626 14.636 1.00 0.90 C ATOM 1473 CG ASN A 100 -13.103 1.326 15.140 1.00 1.14 C ATOM 1474 OD1 ASN A 100 -14.089 0.813 14.614 1.00 1.25 O ATOM 1475 ND2 ASN A 100 -12.465 0.728 16.136 1.00 2.20 N ATOM 0 H ASN A 100 -9.566 2.631 13.969 1.00 0.79 H new ATOM 0 HA ASN A 100 -11.210 1.273 13.606 1.00 0.83 H new ATOM 0 HB2 ASN A 100 -11.957 3.129 15.442 1.00 0.90 H new ATOM 0 HB3 ASN A 100 -13.273 3.306 14.299 1.00 0.90 H new ATOM 0 HD21 ASN A 100 -12.790 -0.175 16.480 1.00 2.20 H new ATOM 0 HD22 ASN A 100 -11.649 1.171 16.558 1.00 2.20 H new ATOM 1482 N TYR A 101 -11.438 2.172 11.087 1.00 0.71 N ATOM 1483 CA TYR A 101 -11.960 2.148 9.740 1.00 0.70 C ATOM 1484 C TYR A 101 -12.718 0.862 9.454 1.00 0.88 C ATOM 1485 O TYR A 101 -12.295 -0.213 9.868 1.00 1.16 O ATOM 1486 CB TYR A 101 -10.793 2.214 8.781 1.00 0.73 C ATOM 1487 CG TYR A 101 -9.982 3.493 8.839 1.00 0.60 C ATOM 1488 CD1 TYR A 101 -10.623 4.741 8.958 1.00 2.16 C ATOM 1489 CD2 TYR A 101 -8.583 3.438 8.713 1.00 1.88 C ATOM 1490 CE1 TYR A 101 -9.885 5.930 8.846 1.00 2.25 C ATOM 1491 CE2 TYR A 101 -7.831 4.623 8.637 1.00 1.91 C ATOM 1492 CZ TYR A 101 -8.484 5.874 8.660 1.00 0.92 C ATOM 1493 OH TYR A 101 -7.756 7.013 8.499 1.00 1.26 O ATOM 0 H TYR A 101 -10.429 2.038 11.150 1.00 0.71 H new ATOM 0 HA TYR A 101 -12.641 2.991 9.622 1.00 0.70 H new ATOM 0 HB2 TYR A 101 -10.130 1.373 8.982 1.00 0.73 H new ATOM 0 HB3 TYR A 101 -11.170 2.087 7.766 1.00 0.73 H new ATOM 0 HD1 TYR A 101 -11.687 4.784 9.136 1.00 2.16 H new ATOM 0 HD2 TYR A 101 -8.084 2.481 8.674 1.00 1.88 H new ATOM 0 HE1 TYR A 101 -10.386 6.885 8.902 1.00 2.25 H new ATOM 0 HE2 TYR A 101 -6.755 4.576 8.561 1.00 1.91 H new ATOM 0 HH TYR A 101 -7.397 7.297 9.365 1.00 1.26 H new ATOM 1503 N LYS A 102 -13.815 0.977 8.703 1.00 0.88 N ATOM 1504 CA LYS A 102 -14.674 -0.121 8.278 1.00 1.15 C ATOM 1505 C LYS A 102 -14.553 -0.399 6.776 1.00 1.07 C ATOM 1506 O LYS A 102 -15.107 -1.380 6.300 1.00 1.42 O ATOM 1507 CB LYS A 102 -16.129 0.195 8.653 1.00 1.65 C ATOM 1508 CG LYS A 102 -16.535 -0.220 10.078 1.00 2.23 C ATOM 1509 CD LYS A 102 -15.682 0.408 11.189 1.00 2.95 C ATOM 1510 CE LYS A 102 -14.452 -0.452 11.528 1.00 3.67 C ATOM 1511 NZ LYS A 102 -14.693 -1.375 12.660 1.00 5.27 N ATOM 0 H LYS A 102 -14.140 1.881 8.361 1.00 0.88 H new ATOM 0 HA LYS A 102 -14.350 -1.025 8.794 1.00 1.15 H new ATOM 0 HB2 LYS A 102 -16.293 1.267 8.542 1.00 1.65 H new ATOM 0 HB3 LYS A 102 -16.789 -0.304 7.943 1.00 1.65 H new ATOM 0 HG2 LYS A 102 -17.578 0.053 10.239 1.00 2.23 H new ATOM 0 HG3 LYS A 102 -16.473 -1.305 10.159 1.00 2.23 H new ATOM 0 HD2 LYS A 102 -15.356 1.401 10.878 1.00 2.95 H new ATOM 0 HD3 LYS A 102 -16.291 0.538 12.084 1.00 2.95 H new ATOM 0 HE2 LYS A 102 -14.164 -1.029 10.649 1.00 3.67 H new ATOM 0 HE3 LYS A 102 -13.613 0.201 11.769 1.00 3.67 H new ATOM 0 HZ1 LYS A 102 -13.917 -2.065 12.717 1.00 5.27 H new ATOM 0 HZ2 LYS A 102 -14.740 -0.833 13.546 1.00 5.27 H new ATOM 0 HZ3 LYS A 102 -15.592 -1.877 12.513 1.00 5.27 H new ATOM 1525 N SER A 103 -13.825 0.434 6.037 1.00 0.83 N ATOM 1526 CA SER A 103 -13.505 0.226 4.632 1.00 0.87 C ATOM 1527 C SER A 103 -12.100 0.786 4.440 1.00 0.60 C ATOM 1528 O SER A 103 -11.783 1.814 5.045 1.00 0.82 O ATOM 1529 CB SER A 103 -14.579 0.911 3.772 1.00 1.41 C ATOM 1530 OG SER A 103 -14.114 1.444 2.548 1.00 1.92 O ATOM 0 H SER A 103 -13.431 1.297 6.412 1.00 0.83 H new ATOM 0 HA SER A 103 -13.508 -0.820 4.326 1.00 0.87 H new ATOM 0 HB2 SER A 103 -15.368 0.190 3.560 1.00 1.41 H new ATOM 0 HB3 SER A 103 -15.030 1.715 4.353 1.00 1.41 H new ATOM 0 HG SER A 103 -13.471 0.824 2.145 1.00 1.92 H new ATOM 1536 N VAL A 104 -11.232 0.081 3.707 1.00 0.59 N ATOM 1537 CA VAL A 104 -9.846 0.504 3.534 1.00 0.92 C ATOM 1538 C VAL A 104 -9.330 0.049 2.177 1.00 0.88 C ATOM 1539 O VAL A 104 -9.083 -1.134 1.948 1.00 0.96 O ATOM 1540 CB VAL A 104 -8.938 -0.071 4.634 1.00 1.38 C ATOM 1541 CG1 VAL A 104 -7.537 0.554 4.580 1.00 1.89 C ATOM 1542 CG2 VAL A 104 -9.482 0.165 6.048 1.00 1.83 C ATOM 0 H VAL A 104 -11.469 -0.786 3.225 1.00 0.59 H new ATOM 0 HA VAL A 104 -9.823 1.592 3.600 1.00 0.92 H new ATOM 0 HB VAL A 104 -8.901 -1.142 4.437 1.00 1.38 H new ATOM 0 HG11 VAL A 104 -6.918 0.128 5.369 1.00 1.89 H new ATOM 0 HG12 VAL A 104 -7.083 0.346 3.611 1.00 1.89 H new ATOM 0 HG13 VAL A 104 -7.614 1.632 4.721 1.00 1.89 H new ATOM 0 HG21 VAL A 104 -8.796 -0.264 6.778 1.00 1.83 H new ATOM 0 HG22 VAL A 104 -9.579 1.236 6.227 1.00 1.83 H new ATOM 0 HG23 VAL A 104 -10.459 -0.309 6.146 1.00 1.83 H new ATOM 1552 N ALA A 105 -9.043 0.995 1.293 1.00 0.84 N ATOM 1553 CA ALA A 105 -8.419 0.647 0.037 1.00 0.81 C ATOM 1554 C ALA A 105 -6.906 0.648 0.241 1.00 0.70 C ATOM 1555 O ALA A 105 -6.316 1.692 0.508 1.00 0.73 O ATOM 1556 CB ALA A 105 -8.887 1.618 -1.043 1.00 0.94 C ATOM 0 H ALA A 105 -9.230 1.989 1.424 1.00 0.84 H new ATOM 0 HA ALA A 105 -8.706 -0.350 -0.298 1.00 0.81 H new ATOM 0 HB1 ALA A 105 -8.419 1.359 -1.993 1.00 0.94 H new ATOM 0 HB2 ALA A 105 -9.971 1.555 -1.144 1.00 0.94 H new ATOM 0 HB3 ALA A 105 -8.607 2.634 -0.765 1.00 0.94 H new ATOM 1562 N ILE A 106 -6.266 -0.511 0.081 1.00 0.70 N ATOM 1563 CA ILE A 106 -4.819 -0.653 0.044 1.00 0.64 C ATOM 1564 C ILE A 106 -4.508 -1.619 -1.101 1.00 0.79 C ATOM 1565 O ILE A 106 -5.047 -2.724 -1.123 1.00 1.30 O ATOM 1566 CB ILE A 106 -4.230 -1.116 1.397 1.00 1.27 C ATOM 1567 CG1 ILE A 106 -2.857 -1.768 1.169 1.00 2.26 C ATOM 1568 CG2 ILE A 106 -5.121 -2.096 2.165 1.00 1.40 C ATOM 1569 CD1 ILE A 106 -1.951 -1.783 2.405 1.00 3.33 C ATOM 0 H ILE A 106 -6.758 -1.398 -0.029 1.00 0.70 H new ATOM 0 HA ILE A 106 -4.343 0.312 -0.132 1.00 0.64 H new ATOM 0 HB ILE A 106 -4.148 -0.218 2.009 1.00 1.27 H new ATOM 0 HG12 ILE A 106 -3.007 -2.793 0.831 1.00 2.26 H new ATOM 0 HG13 ILE A 106 -2.346 -1.239 0.365 1.00 2.26 H new ATOM 0 HG21 ILE A 106 -4.636 -2.371 3.102 1.00 1.40 H new ATOM 0 HG22 ILE A 106 -6.081 -1.625 2.378 1.00 1.40 H new ATOM 0 HG23 ILE A 106 -5.281 -2.990 1.563 1.00 1.40 H new ATOM 0 HD11 ILE A 106 -1.003 -2.261 2.156 1.00 3.33 H new ATOM 0 HD12 ILE A 106 -1.767 -0.760 2.733 1.00 3.33 H new ATOM 0 HD13 ILE A 106 -2.438 -2.339 3.206 1.00 3.33 H new ATOM 1581 N PRO A 107 -3.669 -1.213 -2.061 1.00 0.75 N ATOM 1582 CA PRO A 107 -3.306 -2.034 -3.192 1.00 1.09 C ATOM 1583 C PRO A 107 -2.116 -2.917 -2.826 1.00 0.87 C ATOM 1584 O PRO A 107 -1.701 -2.989 -1.670 1.00 0.85 O ATOM 1585 CB PRO A 107 -2.977 -1.014 -4.278 1.00 1.47 C ATOM 1586 CG PRO A 107 -2.265 0.083 -3.492 1.00 1.32 C ATOM 1587 CD PRO A 107 -3.022 0.084 -2.162 1.00 0.86 C ATOM 0 HA PRO A 107 -4.085 -2.723 -3.518 1.00 1.09 H new ATOM 0 HB2 PRO A 107 -2.339 -1.438 -5.053 1.00 1.47 H new ATOM 0 HB3 PRO A 107 -3.875 -0.642 -4.772 1.00 1.47 H new ATOM 0 HG2 PRO A 107 -1.206 -0.138 -3.356 1.00 1.32 H new ATOM 0 HG3 PRO A 107 -2.327 1.048 -3.995 1.00 1.32 H new ATOM 0 HD2 PRO A 107 -2.340 0.245 -1.327 1.00 0.86 H new ATOM 0 HD3 PRO A 107 -3.757 0.889 -2.133 1.00 0.86 H new ATOM 1595 N LEU A 108 -1.550 -3.600 -3.818 1.00 1.04 N ATOM 1596 CA LEU A 108 -0.495 -4.566 -3.595 1.00 1.01 C ATOM 1597 C LEU A 108 0.804 -3.941 -4.046 1.00 0.86 C ATOM 1598 O LEU A 108 0.932 -3.492 -5.182 1.00 1.10 O ATOM 1599 CB LEU A 108 -0.794 -5.847 -4.369 1.00 1.38 C ATOM 1600 CG LEU A 108 -2.034 -6.508 -3.763 1.00 1.65 C ATOM 1601 CD1 LEU A 108 -2.714 -7.374 -4.806 1.00 2.16 C ATOM 1602 CD2 LEU A 108 -1.672 -7.356 -2.548 1.00 2.10 C ATOM 0 H LEU A 108 -1.815 -3.494 -4.797 1.00 1.04 H new ATOM 0 HA LEU A 108 -0.424 -4.832 -2.540 1.00 1.01 H new ATOM 0 HB2 LEU A 108 -0.962 -5.622 -5.422 1.00 1.38 H new ATOM 0 HB3 LEU A 108 0.058 -6.525 -4.320 1.00 1.38 H new ATOM 0 HG LEU A 108 -2.713 -5.720 -3.438 1.00 1.65 H new ATOM 0 HD11 LEU A 108 -3.596 -7.843 -4.370 1.00 2.16 H new ATOM 0 HD12 LEU A 108 -3.012 -6.757 -5.653 1.00 2.16 H new ATOM 0 HD13 LEU A 108 -2.023 -8.146 -5.145 1.00 2.16 H new ATOM 0 HD21 LEU A 108 -2.574 -7.812 -2.141 1.00 2.10 H new ATOM 0 HD22 LEU A 108 -0.973 -8.138 -2.845 1.00 2.10 H new ATOM 0 HD23 LEU A 108 -1.210 -6.725 -1.789 1.00 2.10 H new ATOM 1614 N LEU A 109 1.758 -3.922 -3.128 1.00 0.87 N ATOM 1615 CA LEU A 109 3.074 -3.357 -3.315 1.00 0.96 C ATOM 1616 C LEU A 109 4.091 -4.386 -2.835 1.00 1.09 C ATOM 1617 O LEU A 109 3.727 -5.408 -2.249 1.00 1.60 O ATOM 1618 CB LEU A 109 3.159 -1.970 -2.645 1.00 1.72 C ATOM 1619 CG LEU A 109 2.635 -1.869 -1.198 1.00 1.02 C ATOM 1620 CD1 LEU A 109 3.634 -2.413 -0.174 1.00 2.13 C ATOM 1621 CD2 LEU A 109 2.350 -0.400 -0.866 1.00 1.59 C ATOM 0 H LEU A 109 1.625 -4.317 -2.197 1.00 0.87 H new ATOM 0 HA LEU A 109 3.299 -3.158 -4.363 1.00 0.96 H new ATOM 0 HB2 LEU A 109 4.201 -1.651 -2.653 1.00 1.72 H new ATOM 0 HB3 LEU A 109 2.604 -1.261 -3.259 1.00 1.72 H new ATOM 0 HG LEU A 109 1.729 -2.473 -1.139 1.00 1.02 H new ATOM 0 HD11 LEU A 109 3.216 -2.318 0.828 1.00 2.13 H new ATOM 0 HD12 LEU A 109 3.836 -3.463 -0.385 1.00 2.13 H new ATOM 0 HD13 LEU A 109 4.563 -1.846 -0.235 1.00 2.13 H new ATOM 0 HD21 LEU A 109 1.979 -0.323 0.156 1.00 1.59 H new ATOM 0 HD22 LEU A 109 3.268 0.180 -0.964 1.00 1.59 H new ATOM 0 HD23 LEU A 109 1.600 -0.010 -1.554 1.00 1.59 H new ATOM 1633 N SER A 110 5.364 -4.135 -3.145 1.00 1.07 N ATOM 1634 CA SER A 110 6.433 -5.108 -2.992 1.00 1.29 C ATOM 1635 C SER A 110 6.088 -6.435 -3.672 1.00 1.58 C ATOM 1636 O SER A 110 5.933 -7.464 -3.020 1.00 2.34 O ATOM 1637 CB SER A 110 6.798 -5.255 -1.511 1.00 2.03 C ATOM 1638 OG SER A 110 7.911 -6.110 -1.373 1.00 2.23 O ATOM 0 H SER A 110 5.680 -3.238 -3.513 1.00 1.07 H new ATOM 0 HA SER A 110 7.324 -4.746 -3.506 1.00 1.29 H new ATOM 0 HB2 SER A 110 7.024 -4.278 -1.085 1.00 2.03 H new ATOM 0 HB3 SER A 110 5.950 -5.656 -0.957 1.00 2.03 H new ATOM 0 HG SER A 110 8.140 -6.198 -0.424 1.00 2.23 H new ATOM 1644 N THR A 111 6.004 -6.433 -5.005 1.00 1.48 N ATOM 1645 CA THR A 111 5.826 -7.625 -5.795 1.00 2.15 C ATOM 1646 C THR A 111 6.719 -7.512 -7.037 1.00 2.55 C ATOM 1647 O THR A 111 7.783 -8.116 -7.071 1.00 3.99 O ATOM 1648 CB THR A 111 4.325 -7.758 -6.058 1.00 2.25 C ATOM 1649 OG1 THR A 111 3.711 -8.323 -4.919 1.00 3.73 O ATOM 1650 CG2 THR A 111 4.056 -8.615 -7.280 1.00 1.83 C ATOM 0 H THR A 111 6.060 -5.581 -5.563 1.00 1.48 H new ATOM 0 HA THR A 111 6.138 -8.547 -5.304 1.00 2.15 H new ATOM 0 HB THR A 111 3.910 -6.769 -6.253 1.00 2.25 H new ATOM 0 HG1 THR A 111 4.323 -8.266 -4.156 1.00 3.73 H new ATOM 0 HG21 THR A 111 2.981 -8.691 -7.441 1.00 1.83 H new ATOM 0 HG22 THR A 111 4.523 -8.160 -8.154 1.00 1.83 H new ATOM 0 HG23 THR A 111 4.471 -9.611 -7.125 1.00 1.83 H new ATOM 1658 N GLY A 112 6.361 -6.706 -8.041 1.00 2.18 N ATOM 1659 CA GLY A 112 7.055 -6.729 -9.326 1.00 2.79 C ATOM 1660 C GLY A 112 7.779 -5.417 -9.580 1.00 2.14 C ATOM 1661 O GLY A 112 7.697 -4.867 -10.672 1.00 2.56 O ATOM 0 H GLY A 112 5.597 -6.033 -7.986 1.00 2.18 H new ATOM 0 HA2 GLY A 112 7.770 -7.552 -9.342 1.00 2.79 H new ATOM 0 HA3 GLY A 112 6.339 -6.914 -10.127 1.00 2.79 H new ATOM 1665 N ILE A 113 8.472 -4.907 -8.563 1.00 1.96 N ATOM 1666 CA ILE A 113 9.164 -3.626 -8.641 1.00 1.52 C ATOM 1667 C ILE A 113 10.263 -3.597 -7.574 1.00 1.38 C ATOM 1668 O ILE A 113 11.444 -3.735 -7.873 1.00 2.35 O ATOM 1669 CB ILE A 113 8.134 -2.466 -8.564 1.00 2.09 C ATOM 1670 CG1 ILE A 113 8.783 -1.071 -8.547 1.00 1.71 C ATOM 1671 CG2 ILE A 113 7.140 -2.546 -7.391 1.00 3.22 C ATOM 1672 CD1 ILE A 113 9.433 -0.722 -9.888 1.00 2.73 C ATOM 0 H ILE A 113 8.568 -5.373 -7.661 1.00 1.96 H new ATOM 0 HA ILE A 113 9.667 -3.491 -9.598 1.00 1.52 H new ATOM 0 HB ILE A 113 7.573 -2.604 -9.488 1.00 2.09 H new ATOM 0 HG12 ILE A 113 8.028 -0.323 -8.305 1.00 1.71 H new ATOM 0 HG13 ILE A 113 9.535 -1.031 -7.759 1.00 1.71 H new ATOM 0 HG21 ILE A 113 6.465 -1.691 -7.427 1.00 3.22 H new ATOM 0 HG22 ILE A 113 6.563 -3.468 -7.465 1.00 3.22 H new ATOM 0 HG23 ILE A 113 7.688 -2.536 -6.449 1.00 3.22 H new ATOM 0 HD11 ILE A 113 9.878 0.271 -9.829 1.00 2.73 H new ATOM 0 HD12 ILE A 113 10.207 -1.454 -10.118 1.00 2.73 H new ATOM 0 HD13 ILE A 113 8.677 -0.735 -10.673 1.00 2.73 H new ATOM 1684 N PHE A 114 9.867 -3.498 -6.307 1.00 0.66 N ATOM 1685 CA PHE A 114 10.745 -3.377 -5.152 1.00 0.74 C ATOM 1686 C PHE A 114 11.489 -4.686 -4.942 1.00 0.77 C ATOM 1687 O PHE A 114 12.686 -4.703 -4.664 1.00 0.86 O ATOM 1688 CB PHE A 114 9.887 -3.013 -3.935 1.00 0.89 C ATOM 1689 CG PHE A 114 9.663 -1.523 -3.755 1.00 1.11 C ATOM 1690 CD1 PHE A 114 8.384 -0.953 -3.904 1.00 1.66 C ATOM 1691 CD2 PHE A 114 10.751 -0.700 -3.416 1.00 2.76 C ATOM 1692 CE1 PHE A 114 8.201 0.429 -3.713 1.00 1.73 C ATOM 1693 CE2 PHE A 114 10.573 0.681 -3.235 1.00 3.12 C ATOM 1694 CZ PHE A 114 9.296 1.246 -3.375 1.00 1.88 C ATOM 0 H PHE A 114 8.880 -3.500 -6.049 1.00 0.66 H new ATOM 0 HA PHE A 114 11.489 -2.596 -5.305 1.00 0.74 H new ATOM 0 HB2 PHE A 114 8.919 -3.506 -4.026 1.00 0.89 H new ATOM 0 HB3 PHE A 114 10.363 -3.409 -3.038 1.00 0.89 H new ATOM 0 HD1 PHE A 114 7.542 -1.577 -4.165 1.00 1.66 H new ATOM 0 HD2 PHE A 114 11.732 -1.134 -3.294 1.00 2.76 H new ATOM 0 HE1 PHE A 114 7.219 0.863 -3.826 1.00 1.73 H new ATOM 0 HE2 PHE A 114 11.418 1.307 -2.988 1.00 3.12 H new ATOM 0 HZ PHE A 114 9.154 2.306 -3.224 1.00 1.88 H new ATOM 1704 N SER A 115 10.784 -5.800 -5.120 1.00 0.78 N ATOM 1705 CA SER A 115 11.382 -7.120 -5.018 1.00 0.93 C ATOM 1706 C SER A 115 12.557 -7.297 -5.998 1.00 0.98 C ATOM 1707 O SER A 115 13.397 -8.179 -5.830 1.00 1.07 O ATOM 1708 CB SER A 115 10.283 -8.155 -5.260 1.00 1.08 C ATOM 1709 OG SER A 115 10.768 -9.471 -5.241 1.00 2.14 O ATOM 0 H SER A 115 9.788 -5.809 -5.338 1.00 0.78 H new ATOM 0 HA SER A 115 11.805 -7.254 -4.023 1.00 0.93 H new ATOM 0 HB2 SER A 115 9.511 -8.045 -4.498 1.00 1.08 H new ATOM 0 HB3 SER A 115 9.811 -7.960 -6.223 1.00 1.08 H new ATOM 0 HG SER A 115 10.492 -9.909 -4.409 1.00 2.14 H new ATOM 1715 N GLY A 116 12.639 -6.474 -7.047 1.00 1.11 N ATOM 1716 CA GLY A 116 13.606 -6.695 -8.107 1.00 1.21 C ATOM 1717 C GLY A 116 13.158 -7.815 -9.048 1.00 1.29 C ATOM 1718 O GLY A 116 13.993 -8.375 -9.749 1.00 2.20 O ATOM 0 H GLY A 116 12.047 -5.654 -7.178 1.00 1.11 H new ATOM 0 HA2 GLY A 116 13.743 -5.774 -8.674 1.00 1.21 H new ATOM 0 HA3 GLY A 116 14.573 -6.948 -7.672 1.00 1.21 H new ATOM 1722 N ASN A 117 11.847 -8.094 -9.088 1.00 1.99 N ATOM 1723 CA ASN A 117 11.176 -9.007 -10.008 1.00 2.52 C ATOM 1724 C ASN A 117 11.437 -10.474 -9.649 1.00 2.26 C ATOM 1725 O ASN A 117 12.391 -11.078 -10.132 1.00 2.89 O ATOM 1726 CB ASN A 117 11.539 -8.679 -11.463 1.00 3.82 C ATOM 1727 CG ASN A 117 10.474 -9.218 -12.404 1.00 4.55 C ATOM 1728 OD1 ASN A 117 10.298 -10.418 -12.546 1.00 4.33 O ATOM 1729 ND2 ASN A 117 9.709 -8.335 -13.034 1.00 5.85 N ATOM 0 H ASN A 117 11.193 -7.659 -8.437 1.00 1.99 H new ATOM 0 HA ASN A 117 10.101 -8.861 -9.905 1.00 2.52 H new ATOM 0 HB2 ASN A 117 11.633 -7.600 -11.588 1.00 3.82 H new ATOM 0 HB3 ASN A 117 12.507 -9.114 -11.711 1.00 3.82 H new ATOM 0 HD21 ASN A 117 8.960 -8.655 -13.648 1.00 5.85 H new ATOM 0 HD22 ASN A 117 9.870 -7.336 -12.904 1.00 5.85 H new ATOM 1736 N LYS A 118 10.597 -11.043 -8.773 1.00 2.10 N ATOM 1737 CA LYS A 118 10.719 -12.427 -8.311 1.00 2.24 C ATOM 1738 C LYS A 118 9.517 -12.803 -7.445 1.00 1.95 C ATOM 1739 O LYS A 118 8.871 -13.813 -7.717 1.00 2.84 O ATOM 1740 CB LYS A 118 12.056 -12.672 -7.585 1.00 3.00 C ATOM 1741 CG LYS A 118 12.381 -11.629 -6.507 1.00 4.36 C ATOM 1742 CD LYS A 118 13.883 -11.472 -6.285 1.00 5.23 C ATOM 1743 CE LYS A 118 14.536 -12.796 -5.897 1.00 5.55 C ATOM 1744 NZ LYS A 118 16.009 -12.676 -5.905 1.00 6.45 N ATOM 0 H LYS A 118 9.806 -10.547 -8.363 1.00 2.10 H new ATOM 0 HA LYS A 118 10.722 -13.080 -9.184 1.00 2.24 H new ATOM 0 HB2 LYS A 118 12.032 -13.660 -7.125 1.00 3.00 H new ATOM 0 HB3 LYS A 118 12.860 -12.682 -8.320 1.00 3.00 H new ATOM 0 HG2 LYS A 118 11.956 -10.667 -6.796 1.00 4.36 H new ATOM 0 HG3 LYS A 118 11.906 -11.919 -5.570 1.00 4.36 H new ATOM 0 HD2 LYS A 118 14.347 -11.089 -7.194 1.00 5.23 H new ATOM 0 HD3 LYS A 118 14.060 -10.735 -5.502 1.00 5.23 H new ATOM 0 HE2 LYS A 118 14.196 -13.098 -4.906 1.00 5.55 H new ATOM 0 HE3 LYS A 118 14.226 -13.577 -6.592 1.00 5.55 H new ATOM 0 HZ1 LYS A 118 16.433 -13.587 -5.638 1.00 6.45 H new ATOM 0 HZ2 LYS A 118 16.330 -12.410 -6.858 1.00 6.45 H new ATOM 0 HZ3 LYS A 118 16.302 -11.946 -5.225 1.00 6.45 H new ATOM 1758 N ASP A 119 9.210 -12.006 -6.416 1.00 2.01 N ATOM 1759 CA ASP A 119 8.014 -12.212 -5.599 1.00 1.71 C ATOM 1760 C ASP A 119 6.758 -12.109 -6.465 1.00 1.11 C ATOM 1761 O ASP A 119 6.797 -11.572 -7.575 1.00 1.45 O ATOM 1762 CB ASP A 119 7.924 -11.163 -4.479 1.00 2.20 C ATOM 1763 CG ASP A 119 8.839 -11.471 -3.299 1.00 3.17 C ATOM 1764 OD1 ASP A 119 10.073 -11.400 -3.498 1.00 4.67 O ATOM 1765 OD2 ASP A 119 8.293 -11.731 -2.209 1.00 3.34 O ATOM 0 H ASP A 119 9.778 -11.209 -6.130 1.00 2.01 H new ATOM 0 HA ASP A 119 8.084 -13.206 -5.157 1.00 1.71 H new ATOM 0 HB2 ASP A 119 8.180 -10.184 -4.884 1.00 2.20 H new ATOM 0 HB3 ASP A 119 6.894 -11.103 -4.127 1.00 2.20 H new ATOM 1770 N ARG A 120 5.614 -12.565 -5.942 1.00 0.98 N ATOM 1771 CA ARG A 120 4.343 -12.421 -6.638 1.00 1.18 C ATOM 1772 C ARG A 120 3.301 -11.792 -5.734 1.00 1.04 C ATOM 1773 O ARG A 120 3.365 -11.872 -4.507 1.00 1.05 O ATOM 1774 CB ARG A 120 3.838 -13.758 -7.180 1.00 1.91 C ATOM 1775 CG ARG A 120 4.812 -14.382 -8.180 1.00 2.13 C ATOM 1776 CD ARG A 120 4.037 -15.390 -9.031 1.00 3.06 C ATOM 1777 NE ARG A 120 4.928 -16.195 -9.874 1.00 3.40 N ATOM 1778 CZ ARG A 120 4.509 -17.142 -10.723 1.00 4.26 C ATOM 1779 NH1 ARG A 120 5.395 -17.880 -11.391 1.00 4.75 N ATOM 1780 NH2 ARG A 120 3.203 -17.351 -10.896 1.00 5.00 N ATOM 0 H ARG A 120 5.549 -13.036 -5.039 1.00 0.98 H new ATOM 0 HA ARG A 120 4.514 -11.761 -7.488 1.00 1.18 H new ATOM 0 HB2 ARG A 120 3.680 -14.448 -6.351 1.00 1.91 H new ATOM 0 HB3 ARG A 120 2.871 -13.611 -7.661 1.00 1.91 H new ATOM 0 HG2 ARG A 120 5.255 -13.612 -8.811 1.00 2.13 H new ATOM 0 HG3 ARG A 120 5.631 -14.875 -7.657 1.00 2.13 H new ATOM 0 HD2 ARG A 120 3.461 -16.048 -8.380 1.00 3.06 H new ATOM 0 HD3 ARG A 120 3.323 -14.860 -9.661 1.00 3.06 H new ATOM 0 HE ARG A 120 5.931 -16.022 -9.809 1.00 3.40 H new ATOM 0 HH11 ARG A 120 6.394 -17.724 -11.256 1.00 4.75 H new ATOM 0 HH12 ARG A 120 5.074 -18.601 -12.037 1.00 4.75 H new ATOM 0 HH21 ARG A 120 2.524 -16.790 -10.382 1.00 5.00 H new ATOM 0 HH22 ARG A 120 2.883 -18.072 -11.543 1.00 5.00 H new ATOM 1794 N LEU A 121 2.280 -11.229 -6.374 1.00 0.97 N ATOM 1795 CA LEU A 121 1.225 -10.526 -5.675 1.00 0.89 C ATOM 1796 C LEU A 121 0.380 -11.532 -4.940 1.00 0.85 C ATOM 1797 O LEU A 121 -0.105 -11.232 -3.876 1.00 0.84 O ATOM 1798 CB LEU A 121 0.343 -9.648 -6.573 1.00 0.89 C ATOM 1799 CG LEU A 121 -0.316 -10.342 -7.777 1.00 0.98 C ATOM 1800 CD1 LEU A 121 -1.724 -9.780 -7.978 1.00 1.55 C ATOM 1801 CD2 LEU A 121 0.495 -10.121 -9.058 1.00 1.68 C ATOM 0 H LEU A 121 2.167 -11.251 -7.387 1.00 0.97 H new ATOM 0 HA LEU A 121 1.709 -9.834 -4.986 1.00 0.89 H new ATOM 0 HB2 LEU A 121 -0.444 -9.213 -5.957 1.00 0.89 H new ATOM 0 HB3 LEU A 121 0.950 -8.823 -6.945 1.00 0.89 H new ATOM 0 HG LEU A 121 -0.357 -11.412 -7.572 1.00 0.98 H new ATOM 0 HD11 LEU A 121 -2.193 -10.270 -8.831 1.00 1.55 H new ATOM 0 HD12 LEU A 121 -2.319 -9.961 -7.083 1.00 1.55 H new ATOM 0 HD13 LEU A 121 -1.665 -8.708 -8.164 1.00 1.55 H new ATOM 0 HD21 LEU A 121 0.004 -10.624 -9.891 1.00 1.68 H new ATOM 0 HD22 LEU A 121 0.562 -9.053 -9.267 1.00 1.68 H new ATOM 0 HD23 LEU A 121 1.498 -10.529 -8.929 1.00 1.68 H new ATOM 1813 N THR A 122 0.234 -12.743 -5.449 1.00 0.87 N ATOM 1814 CA THR A 122 -0.419 -13.845 -4.796 1.00 0.85 C ATOM 1815 C THR A 122 0.106 -14.034 -3.380 1.00 0.83 C ATOM 1816 O THR A 122 -0.661 -14.408 -2.498 1.00 0.83 O ATOM 1817 CB THR A 122 -0.154 -15.063 -5.682 1.00 0.92 C ATOM 1818 OG1 THR A 122 -0.593 -14.774 -6.993 1.00 1.03 O ATOM 1819 CG2 THR A 122 -0.832 -16.327 -5.161 1.00 0.99 C ATOM 0 H THR A 122 0.588 -12.988 -6.374 1.00 0.87 H new ATOM 0 HA THR A 122 -1.490 -13.675 -4.682 1.00 0.85 H new ATOM 0 HB THR A 122 0.918 -15.262 -5.673 1.00 0.92 H new ATOM 0 HG1 THR A 122 -0.427 -15.547 -7.572 1.00 1.03 H new ATOM 0 HG21 THR A 122 -0.610 -17.160 -5.828 1.00 0.99 H new ATOM 0 HG22 THR A 122 -0.461 -16.554 -4.162 1.00 0.99 H new ATOM 0 HG23 THR A 122 -1.910 -16.171 -5.121 1.00 0.99 H new ATOM 1827 N GLN A 123 1.395 -13.771 -3.143 1.00 0.85 N ATOM 1828 CA GLN A 123 1.913 -13.900 -1.792 1.00 0.86 C ATOM 1829 C GLN A 123 1.575 -12.651 -0.988 1.00 0.78 C ATOM 1830 O GLN A 123 0.981 -12.739 0.084 1.00 0.75 O ATOM 1831 CB GLN A 123 3.419 -14.181 -1.793 1.00 1.01 C ATOM 1832 CG GLN A 123 3.684 -15.582 -2.351 1.00 1.33 C ATOM 1833 CD GLN A 123 5.167 -15.922 -2.294 1.00 1.24 C ATOM 1834 OE1 GLN A 123 5.909 -15.621 -3.221 1.00 2.10 O ATOM 1835 NE2 GLN A 123 5.616 -16.560 -1.218 1.00 1.93 N ATOM 0 H GLN A 123 2.073 -13.478 -3.847 1.00 0.85 H new ATOM 0 HA GLN A 123 1.435 -14.756 -1.316 1.00 0.86 H new ATOM 0 HB2 GLN A 123 3.937 -13.435 -2.396 1.00 1.01 H new ATOM 0 HB3 GLN A 123 3.814 -14.102 -0.780 1.00 1.01 H new ATOM 0 HG2 GLN A 123 3.117 -16.318 -1.781 1.00 1.33 H new ATOM 0 HG3 GLN A 123 3.334 -15.639 -3.382 1.00 1.33 H new ATOM 0 HE21 GLN A 123 4.975 -16.798 -0.461 1.00 1.93 H new ATOM 0 HE22 GLN A 123 6.602 -16.812 -1.149 1.00 1.93 H new ATOM 1844 N SER A 124 1.919 -11.472 -1.509 1.00 0.80 N ATOM 1845 CA SER A 124 1.737 -10.227 -0.765 1.00 0.76 C ATOM 1846 C SER A 124 0.263 -9.998 -0.426 1.00 0.66 C ATOM 1847 O SER A 124 -0.068 -9.458 0.628 1.00 0.62 O ATOM 1848 CB SER A 124 2.343 -9.063 -1.563 1.00 0.86 C ATOM 1849 OG SER A 124 2.390 -7.882 -0.787 1.00 1.71 O ATOM 0 H SER A 124 2.323 -11.354 -2.438 1.00 0.80 H new ATOM 0 HA SER A 124 2.262 -10.293 0.188 1.00 0.76 H new ATOM 0 HB2 SER A 124 3.349 -9.327 -1.890 1.00 0.86 H new ATOM 0 HB3 SER A 124 1.752 -8.888 -2.462 1.00 0.86 H new ATOM 0 HG SER A 124 2.816 -7.167 -1.305 1.00 1.71 H new ATOM 1855 N LEU A 125 -0.622 -10.450 -1.312 1.00 0.66 N ATOM 1856 CA LEU A 125 -2.060 -10.382 -1.185 1.00 0.63 C ATOM 1857 C LEU A 125 -2.499 -11.382 -0.155 1.00 0.66 C ATOM 1858 O LEU A 125 -3.394 -11.087 0.611 1.00 0.71 O ATOM 1859 CB LEU A 125 -2.784 -10.566 -2.540 1.00 0.68 C ATOM 1860 CG LEU A 125 -3.296 -11.981 -2.868 1.00 1.23 C ATOM 1861 CD1 LEU A 125 -4.599 -12.327 -2.141 1.00 0.88 C ATOM 1862 CD2 LEU A 125 -3.587 -12.068 -4.362 1.00 3.01 C ATOM 0 H LEU A 125 -0.330 -10.896 -2.182 1.00 0.66 H new ATOM 0 HA LEU A 125 -2.342 -9.383 -0.852 1.00 0.63 H new ATOM 0 HB2 LEU A 125 -3.633 -9.883 -2.567 1.00 0.68 H new ATOM 0 HB3 LEU A 125 -2.103 -10.259 -3.334 1.00 0.68 H new ATOM 0 HG LEU A 125 -2.520 -12.677 -2.548 1.00 1.23 H new ATOM 0 HD11 LEU A 125 -4.910 -13.336 -2.412 1.00 0.88 H new ATOM 0 HD12 LEU A 125 -4.440 -12.273 -1.064 1.00 0.88 H new ATOM 0 HD13 LEU A 125 -5.376 -11.618 -2.429 1.00 0.88 H new ATOM 0 HD21 LEU A 125 -3.950 -13.067 -4.604 1.00 3.01 H new ATOM 0 HD22 LEU A 125 -4.345 -11.332 -4.629 1.00 3.01 H new ATOM 0 HD23 LEU A 125 -2.674 -11.868 -4.923 1.00 3.01 H new ATOM 1874 N ASN A 126 -1.885 -12.559 -0.111 1.00 0.68 N ATOM 1875 CA ASN A 126 -2.228 -13.537 0.911 1.00 0.75 C ATOM 1876 C ASN A 126 -2.081 -12.885 2.274 1.00 0.80 C ATOM 1877 O ASN A 126 -2.997 -12.874 3.086 1.00 0.93 O ATOM 1878 CB ASN A 126 -1.343 -14.790 0.816 1.00 0.75 C ATOM 1879 CG ASN A 126 -2.164 -16.043 1.060 1.00 0.99 C ATOM 1880 OD1 ASN A 126 -2.133 -16.627 2.133 1.00 1.44 O ATOM 1881 ND2 ASN A 126 -2.919 -16.472 0.056 1.00 2.48 N ATOM 0 H ASN A 126 -1.158 -12.855 -0.762 1.00 0.68 H new ATOM 0 HA ASN A 126 -3.257 -13.861 0.759 1.00 0.75 H new ATOM 0 HB2 ASN A 126 -0.878 -14.839 -0.168 1.00 0.75 H new ATOM 0 HB3 ASN A 126 -0.537 -14.729 1.547 1.00 0.75 H new ATOM 0 HD21 ASN A 126 -3.492 -17.308 0.170 1.00 2.48 H new ATOM 0 HD22 ASN A 126 -2.926 -15.965 -0.829 1.00 2.48 H new ATOM 1888 N HIS A 127 -0.926 -12.267 2.486 1.00 0.77 N ATOM 1889 CA HIS A 127 -0.589 -11.678 3.765 1.00 0.81 C ATOM 1890 C HIS A 127 -1.453 -10.447 4.013 1.00 0.76 C ATOM 1891 O HIS A 127 -1.777 -10.141 5.158 1.00 0.80 O ATOM 1892 CB HIS A 127 0.906 -11.351 3.798 1.00 0.86 C ATOM 1893 CG HIS A 127 1.762 -12.575 3.599 1.00 1.01 C ATOM 1894 ND1 HIS A 127 1.725 -13.725 4.355 1.00 1.39 N ATOM 1895 CD2 HIS A 127 2.672 -12.764 2.595 1.00 0.90 C ATOM 1896 CE1 HIS A 127 2.600 -14.589 3.811 1.00 1.48 C ATOM 1897 NE2 HIS A 127 3.196 -14.052 2.734 1.00 1.16 N ATOM 0 H HIS A 127 -0.202 -12.163 1.775 1.00 0.77 H new ATOM 0 HA HIS A 127 -0.793 -12.385 4.569 1.00 0.81 H new ATOM 0 HB2 HIS A 127 1.133 -10.621 3.021 1.00 0.86 H new ATOM 0 HB3 HIS A 127 1.154 -10.888 4.753 1.00 0.86 H new ATOM 0 HD2 HIS A 127 2.938 -12.047 1.832 1.00 0.90 H new ATOM 0 HE1 HIS A 127 2.797 -15.581 4.189 1.00 1.48 H new ATOM 0 HE2 HIS A 127 3.893 -14.496 2.136 1.00 1.16 H new ATOM 1905 N LEU A 128 -1.841 -9.741 2.950 1.00 0.71 N ATOM 1906 CA LEU A 128 -2.617 -8.519 3.078 1.00 0.70 C ATOM 1907 C LEU A 128 -4.027 -8.863 3.517 1.00 0.79 C ATOM 1908 O LEU A 128 -4.553 -8.297 4.468 1.00 0.81 O ATOM 1909 CB LEU A 128 -2.624 -7.777 1.731 1.00 0.67 C ATOM 1910 CG LEU A 128 -3.365 -6.437 1.771 1.00 0.73 C ATOM 1911 CD1 LEU A 128 -2.596 -5.397 2.590 1.00 1.53 C ATOM 1912 CD2 LEU A 128 -3.546 -5.906 0.346 1.00 1.31 C ATOM 0 H LEU A 128 -1.626 -10.001 1.988 1.00 0.71 H new ATOM 0 HA LEU A 128 -2.171 -7.867 3.829 1.00 0.70 H new ATOM 0 HB2 LEU A 128 -1.595 -7.604 1.416 1.00 0.67 H new ATOM 0 HB3 LEU A 128 -3.085 -8.415 0.977 1.00 0.67 H new ATOM 0 HG LEU A 128 -4.334 -6.606 2.242 1.00 0.73 H new ATOM 0 HD11 LEU A 128 -3.150 -4.458 2.598 1.00 1.53 H new ATOM 0 HD12 LEU A 128 -2.475 -5.756 3.612 1.00 1.53 H new ATOM 0 HD13 LEU A 128 -1.615 -5.236 2.144 1.00 1.53 H new ATOM 0 HD21 LEU A 128 -4.073 -4.953 0.377 1.00 1.31 H new ATOM 0 HD22 LEU A 128 -2.569 -5.765 -0.117 1.00 1.31 H new ATOM 0 HD23 LEU A 128 -4.124 -6.622 -0.238 1.00 1.31 H new ATOM 1924 N LEU A 129 -4.627 -9.825 2.828 1.00 0.89 N ATOM 1925 CA LEU A 129 -5.959 -10.307 3.113 1.00 1.12 C ATOM 1926 C LEU A 129 -5.955 -10.980 4.465 1.00 1.21 C ATOM 1927 O LEU A 129 -6.966 -10.919 5.136 1.00 1.37 O ATOM 1928 CB LEU A 129 -6.459 -11.285 2.035 1.00 1.23 C ATOM 1929 CG LEU A 129 -6.626 -10.690 0.626 1.00 2.46 C ATOM 1930 CD1 LEU A 129 -7.465 -11.637 -0.236 1.00 3.60 C ATOM 1931 CD2 LEU A 129 -7.290 -9.321 0.652 1.00 3.19 C ATOM 0 H LEU A 129 -4.186 -10.298 2.039 1.00 0.89 H new ATOM 0 HA LEU A 129 -6.641 -9.457 3.116 1.00 1.12 H new ATOM 0 HB2 LEU A 129 -5.762 -12.121 1.977 1.00 1.23 H new ATOM 0 HB3 LEU A 129 -7.419 -11.691 2.355 1.00 1.23 H new ATOM 0 HG LEU A 129 -5.628 -10.570 0.205 1.00 2.46 H new ATOM 0 HD11 LEU A 129 -7.582 -11.214 -1.234 1.00 3.60 H new ATOM 0 HD12 LEU A 129 -6.965 -12.603 -0.308 1.00 3.60 H new ATOM 0 HD13 LEU A 129 -8.446 -11.770 0.219 1.00 3.60 H new ATOM 0 HD21 LEU A 129 -7.385 -8.943 -0.366 1.00 3.19 H new ATOM 0 HD22 LEU A 129 -8.279 -9.405 1.102 1.00 3.19 H new ATOM 0 HD23 LEU A 129 -6.682 -8.633 1.239 1.00 3.19 H new ATOM 1943 N THR A 130 -4.853 -11.584 4.901 1.00 1.18 N ATOM 1944 CA THR A 130 -4.803 -12.210 6.213 1.00 1.33 C ATOM 1945 C THR A 130 -4.816 -11.124 7.278 1.00 1.28 C ATOM 1946 O THR A 130 -5.555 -11.220 8.256 1.00 1.40 O ATOM 1947 CB THR A 130 -3.571 -13.121 6.317 1.00 1.41 C ATOM 1948 OG1 THR A 130 -3.753 -14.258 5.503 1.00 1.48 O ATOM 1949 CG2 THR A 130 -3.300 -13.620 7.737 1.00 1.51 C ATOM 0 H THR A 130 -3.988 -11.652 4.365 1.00 1.18 H new ATOM 0 HA THR A 130 -5.676 -12.844 6.367 1.00 1.33 H new ATOM 0 HB THR A 130 -2.723 -12.515 5.998 1.00 1.41 H new ATOM 0 HG1 THR A 130 -3.547 -14.030 4.572 1.00 1.48 H new ATOM 0 HG21 THR A 130 -2.416 -14.258 7.736 1.00 1.51 H new ATOM 0 HG22 THR A 130 -3.132 -12.768 8.396 1.00 1.51 H new ATOM 0 HG23 THR A 130 -4.158 -14.190 8.092 1.00 1.51 H new ATOM 1957 N ALA A 131 -4.024 -10.069 7.100 1.00 1.11 N ATOM 1958 CA ALA A 131 -4.006 -9.008 8.087 1.00 1.10 C ATOM 1959 C ALA A 131 -5.370 -8.335 8.170 1.00 1.09 C ATOM 1960 O ALA A 131 -5.852 -8.027 9.257 1.00 1.18 O ATOM 1961 CB ALA A 131 -2.893 -8.009 7.760 1.00 1.04 C ATOM 0 H ALA A 131 -3.404 -9.932 6.302 1.00 1.11 H new ATOM 0 HA ALA A 131 -3.795 -9.431 9.069 1.00 1.10 H new ATOM 0 HB1 ALA A 131 -2.886 -7.215 8.506 1.00 1.04 H new ATOM 0 HB2 ALA A 131 -1.931 -8.521 7.766 1.00 1.04 H new ATOM 0 HB3 ALA A 131 -3.068 -7.579 6.774 1.00 1.04 H new ATOM 1967 N LEU A 132 -6.002 -8.122 7.018 1.00 1.03 N ATOM 1968 CA LEU A 132 -7.290 -7.442 6.966 1.00 1.05 C ATOM 1969 C LEU A 132 -8.441 -8.402 7.269 1.00 1.19 C ATOM 1970 O LEU A 132 -9.540 -7.963 7.597 1.00 1.21 O ATOM 1971 CB LEU A 132 -7.438 -6.759 5.605 1.00 1.00 C ATOM 1972 CG LEU A 132 -6.573 -5.482 5.586 1.00 1.47 C ATOM 1973 CD1 LEU A 132 -5.781 -5.349 4.285 1.00 1.96 C ATOM 1974 CD2 LEU A 132 -7.444 -4.245 5.813 1.00 2.04 C ATOM 0 H LEU A 132 -5.641 -8.411 6.109 1.00 1.03 H new ATOM 0 HA LEU A 132 -7.331 -6.676 7.741 1.00 1.05 H new ATOM 0 HB2 LEU A 132 -7.128 -7.436 4.809 1.00 1.00 H new ATOM 0 HB3 LEU A 132 -8.483 -6.509 5.421 1.00 1.00 H new ATOM 0 HG LEU A 132 -5.852 -5.562 6.399 1.00 1.47 H new ATOM 0 HD11 LEU A 132 -5.186 -4.436 4.313 1.00 1.96 H new ATOM 0 HD12 LEU A 132 -5.121 -6.209 4.171 1.00 1.96 H new ATOM 0 HD13 LEU A 132 -6.471 -5.306 3.442 1.00 1.96 H new ATOM 0 HD21 LEU A 132 -6.819 -3.352 5.797 1.00 2.04 H new ATOM 0 HD22 LEU A 132 -8.193 -4.178 5.024 1.00 2.04 H new ATOM 0 HD23 LEU A 132 -7.941 -4.322 6.780 1.00 2.04 H new ATOM 1986 N ASP A 133 -8.198 -9.711 7.217 1.00 1.32 N ATOM 1987 CA ASP A 133 -9.193 -10.712 7.603 1.00 1.49 C ATOM 1988 C ASP A 133 -9.517 -10.539 9.085 1.00 1.55 C ATOM 1989 O ASP A 133 -10.676 -10.568 9.504 1.00 1.72 O ATOM 1990 CB ASP A 133 -8.680 -12.128 7.290 1.00 1.58 C ATOM 1991 CG ASP A 133 -9.658 -13.235 7.650 1.00 1.51 C ATOM 1992 OD1 ASP A 133 -10.315 -13.712 6.694 1.00 2.32 O ATOM 1993 OD2 ASP A 133 -9.727 -13.597 8.843 1.00 2.20 O ATOM 0 H ASP A 133 -7.310 -10.107 6.908 1.00 1.32 H new ATOM 0 HA ASP A 133 -10.108 -10.571 7.028 1.00 1.49 H new ATOM 0 HB2 ASP A 133 -8.450 -12.193 6.227 1.00 1.58 H new ATOM 0 HB3 ASP A 133 -7.747 -12.292 7.829 1.00 1.58 H new ATOM 1998 N THR A 134 -8.473 -10.238 9.859 1.00 1.49 N ATOM 1999 CA THR A 134 -8.541 -9.971 11.285 1.00 1.56 C ATOM 2000 C THR A 134 -9.402 -8.737 11.632 1.00 1.33 C ATOM 2001 O THR A 134 -9.666 -8.502 12.810 1.00 1.44 O ATOM 2002 CB THR A 134 -7.096 -9.957 11.832 1.00 1.72 C ATOM 2003 OG1 THR A 134 -6.959 -10.932 12.842 1.00 2.22 O ATOM 2004 CG2 THR A 134 -6.630 -8.621 12.390 1.00 1.74 C ATOM 0 H THR A 134 -7.524 -10.173 9.490 1.00 1.49 H new ATOM 0 HA THR A 134 -9.082 -10.766 11.798 1.00 1.56 H new ATOM 0 HB THR A 134 -6.466 -10.168 10.968 1.00 1.72 H new ATOM 0 HG1 THR A 134 -6.041 -10.921 13.185 1.00 2.22 H new ATOM 0 HG21 THR A 134 -5.605 -8.714 12.749 1.00 1.74 H new ATOM 0 HG22 THR A 134 -6.673 -7.864 11.606 1.00 1.74 H new ATOM 0 HG23 THR A 134 -7.278 -8.326 13.215 1.00 1.74 H new ATOM 2012 N THR A 135 -9.899 -7.958 10.660 1.00 1.10 N ATOM 2013 CA THR A 135 -10.670 -6.747 10.947 1.00 0.88 C ATOM 2014 C THR A 135 -12.077 -6.823 10.356 1.00 1.13 C ATOM 2015 O THR A 135 -12.284 -7.360 9.275 1.00 1.94 O ATOM 2016 CB THR A 135 -9.926 -5.502 10.440 1.00 0.90 C ATOM 2017 OG1 THR A 135 -9.475 -5.646 9.109 1.00 1.15 O ATOM 2018 CG2 THR A 135 -8.703 -5.211 11.308 1.00 1.15 C ATOM 0 H THR A 135 -9.778 -8.149 9.665 1.00 1.10 H new ATOM 0 HA THR A 135 -10.777 -6.668 12.029 1.00 0.88 H new ATOM 0 HB THR A 135 -10.646 -4.685 10.490 1.00 0.90 H new ATOM 0 HG1 THR A 135 -9.755 -6.518 8.761 1.00 1.15 H new ATOM 0 HG21 THR A 135 -8.191 -4.325 10.931 1.00 1.15 H new ATOM 0 HG22 THR A 135 -9.020 -5.037 12.336 1.00 1.15 H new ATOM 0 HG23 THR A 135 -8.024 -6.063 11.277 1.00 1.15 H new ATOM 2026 N ASP A 136 -13.079 -6.307 11.073 1.00 1.35 N ATOM 2027 CA ASP A 136 -14.426 -5.928 10.643 1.00 1.94 C ATOM 2028 C ASP A 136 -14.385 -4.656 9.805 1.00 1.97 C ATOM 2029 O ASP A 136 -15.070 -3.666 10.060 1.00 2.76 O ATOM 2030 CB ASP A 136 -15.332 -5.750 11.875 1.00 2.63 C ATOM 2031 CG ASP A 136 -15.005 -4.481 12.677 1.00 3.81 C ATOM 2032 OD1 ASP A 136 -13.798 -4.193 12.856 1.00 4.22 O ATOM 2033 OD2 ASP A 136 -15.946 -3.758 13.073 1.00 4.98 O ATOM 0 H ASP A 136 -12.953 -6.127 12.069 1.00 1.35 H new ATOM 0 HA ASP A 136 -14.837 -6.721 10.019 1.00 1.94 H new ATOM 0 HB2 ASP A 136 -16.373 -5.712 11.553 1.00 2.63 H new ATOM 0 HB3 ASP A 136 -15.231 -6.620 12.524 1.00 2.63 H new ATOM 2038 N ALA A 137 -13.598 -4.720 8.745 1.00 1.39 N ATOM 2039 CA ALA A 137 -13.632 -3.743 7.697 1.00 1.57 C ATOM 2040 C ALA A 137 -13.757 -4.528 6.399 1.00 1.27 C ATOM 2041 O ALA A 137 -14.615 -5.395 6.254 1.00 1.28 O ATOM 2042 CB ALA A 137 -12.369 -2.878 7.823 1.00 1.80 C ATOM 0 H ALA A 137 -12.915 -5.463 8.596 1.00 1.39 H new ATOM 0 HA ALA A 137 -14.470 -3.047 7.740 1.00 1.57 H new ATOM 0 HB1 ALA A 137 -12.365 -2.123 7.037 1.00 1.80 H new ATOM 0 HB2 ALA A 137 -12.359 -2.388 8.797 1.00 1.80 H new ATOM 0 HB3 ALA A 137 -11.485 -3.508 7.725 1.00 1.80 H new ATOM 2048 N ASP A 138 -12.849 -4.252 5.486 1.00 1.21 N ATOM 2049 CA ASP A 138 -12.648 -4.919 4.222 1.00 1.20 C ATOM 2050 C ASP A 138 -11.255 -4.513 3.756 1.00 1.23 C ATOM 2051 O ASP A 138 -10.522 -3.840 4.485 1.00 1.36 O ATOM 2052 CB ASP A 138 -13.734 -4.530 3.200 1.00 1.33 C ATOM 2053 CG ASP A 138 -13.825 -3.026 2.910 1.00 2.24 C ATOM 2054 OD1 ASP A 138 -12.765 -2.362 2.846 1.00 3.75 O ATOM 2055 OD2 ASP A 138 -14.971 -2.551 2.754 1.00 2.99 O ATOM 0 H ASP A 138 -12.180 -3.494 5.623 1.00 1.21 H new ATOM 0 HA ASP A 138 -12.725 -6.001 4.325 1.00 1.20 H new ATOM 0 HB2 ASP A 138 -13.541 -5.056 2.265 1.00 1.33 H new ATOM 0 HB3 ASP A 138 -14.701 -4.876 3.567 1.00 1.33 H new ATOM 2060 N VAL A 139 -10.882 -4.912 2.548 1.00 1.16 N ATOM 2061 CA VAL A 139 -9.801 -4.271 1.833 1.00 1.15 C ATOM 2062 C VAL A 139 -10.245 -3.994 0.408 1.00 0.98 C ATOM 2063 O VAL A 139 -11.067 -4.741 -0.124 1.00 0.95 O ATOM 2064 CB VAL A 139 -8.547 -5.135 1.919 1.00 1.45 C ATOM 2065 CG1 VAL A 139 -8.757 -6.570 1.435 1.00 1.52 C ATOM 2066 CG2 VAL A 139 -7.392 -4.497 1.145 1.00 1.87 C ATOM 0 H VAL A 139 -11.320 -5.683 2.044 1.00 1.16 H new ATOM 0 HA VAL A 139 -9.548 -3.311 2.283 1.00 1.15 H new ATOM 0 HB VAL A 139 -8.300 -5.189 2.979 1.00 1.45 H new ATOM 0 HG11 VAL A 139 -7.823 -7.125 1.525 1.00 1.52 H new ATOM 0 HG12 VAL A 139 -9.525 -7.050 2.042 1.00 1.52 H new ATOM 0 HG13 VAL A 139 -9.073 -6.560 0.392 1.00 1.52 H new ATOM 0 HG21 VAL A 139 -6.509 -5.131 1.221 1.00 1.87 H new ATOM 0 HG22 VAL A 139 -7.672 -4.389 0.097 1.00 1.87 H new ATOM 0 HG23 VAL A 139 -7.171 -3.516 1.565 1.00 1.87 H new ATOM 2076 N ALA A 140 -9.653 -2.983 -0.229 1.00 1.03 N ATOM 2077 CA ALA A 140 -9.925 -2.669 -1.620 1.00 0.93 C ATOM 2078 C ALA A 140 -8.592 -2.550 -2.349 1.00 0.94 C ATOM 2079 O ALA A 140 -7.839 -1.606 -2.119 1.00 1.16 O ATOM 2080 CB ALA A 140 -10.773 -1.395 -1.713 1.00 0.92 C ATOM 0 H ALA A 140 -8.973 -2.363 0.210 1.00 1.03 H new ATOM 0 HA ALA A 140 -10.505 -3.459 -2.098 1.00 0.93 H new ATOM 0 HB1 ALA A 140 -10.973 -1.166 -2.760 1.00 0.92 H new ATOM 0 HB2 ALA A 140 -11.716 -1.547 -1.188 1.00 0.92 H new ATOM 0 HB3 ALA A 140 -10.234 -0.565 -1.257 1.00 0.92 H new ATOM 2086 N ILE A 141 -8.286 -3.524 -3.207 1.00 0.94 N ATOM 2087 CA ILE A 141 -7.071 -3.511 -4.006 1.00 0.94 C ATOM 2088 C ILE A 141 -7.398 -2.814 -5.324 1.00 0.94 C ATOM 2089 O ILE A 141 -8.351 -3.209 -5.982 1.00 1.12 O ATOM 2090 CB ILE A 141 -6.591 -4.957 -4.244 1.00 0.98 C ATOM 2091 CG1 ILE A 141 -6.126 -5.622 -2.932 1.00 1.52 C ATOM 2092 CG2 ILE A 141 -5.427 -4.979 -5.244 1.00 1.40 C ATOM 2093 CD1 ILE A 141 -7.185 -6.538 -2.311 1.00 1.19 C ATOM 0 H ILE A 141 -8.876 -4.341 -3.364 1.00 0.94 H new ATOM 0 HA ILE A 141 -6.268 -2.978 -3.497 1.00 0.94 H new ATOM 0 HB ILE A 141 -7.438 -5.514 -4.644 1.00 0.98 H new ATOM 0 HG12 ILE A 141 -5.223 -6.201 -3.126 1.00 1.52 H new ATOM 0 HG13 ILE A 141 -5.860 -4.847 -2.214 1.00 1.52 H new ATOM 0 HG21 ILE A 141 -5.101 -6.007 -5.400 1.00 1.40 H new ATOM 0 HG22 ILE A 141 -5.754 -4.554 -6.193 1.00 1.40 H new ATOM 0 HG23 ILE A 141 -4.598 -4.391 -4.850 1.00 1.40 H new ATOM 0 HD11 ILE A 141 -6.795 -6.974 -1.391 1.00 1.19 H new ATOM 0 HD12 ILE A 141 -8.081 -5.959 -2.087 1.00 1.19 H new ATOM 0 HD13 ILE A 141 -7.434 -7.334 -3.013 1.00 1.19 H new ATOM 2105 N TYR A 142 -6.605 -1.814 -5.711 1.00 0.84 N ATOM 2106 CA TYR A 142 -6.746 -1.029 -6.932 1.00 0.94 C ATOM 2107 C TYR A 142 -5.389 -0.864 -7.617 1.00 0.93 C ATOM 2108 O TYR A 142 -4.449 -0.376 -6.998 1.00 0.97 O ATOM 2109 CB TYR A 142 -7.316 0.363 -6.587 1.00 0.96 C ATOM 2110 CG TYR A 142 -6.571 1.134 -5.511 1.00 1.83 C ATOM 2111 CD1 TYR A 142 -6.849 0.901 -4.151 1.00 2.62 C ATOM 2112 CD2 TYR A 142 -5.583 2.069 -5.862 1.00 3.04 C ATOM 2113 CE1 TYR A 142 -6.137 1.593 -3.154 1.00 4.10 C ATOM 2114 CE2 TYR A 142 -4.859 2.737 -4.861 1.00 4.50 C ATOM 2115 CZ TYR A 142 -5.136 2.520 -3.498 1.00 4.93 C ATOM 2116 OH TYR A 142 -4.420 3.152 -2.520 1.00 6.50 O ATOM 0 H TYR A 142 -5.807 -1.517 -5.150 1.00 0.84 H new ATOM 0 HA TYR A 142 -7.424 -1.549 -7.608 1.00 0.94 H new ATOM 0 HB2 TYR A 142 -7.329 0.965 -7.496 1.00 0.96 H new ATOM 0 HB3 TYR A 142 -8.352 0.242 -6.270 1.00 0.96 H new ATOM 0 HD1 TYR A 142 -7.611 0.189 -3.872 1.00 2.62 H new ATOM 0 HD2 TYR A 142 -5.380 2.274 -6.903 1.00 3.04 H new ATOM 0 HE1 TYR A 142 -6.361 1.411 -2.113 1.00 4.10 H new ATOM 0 HE2 TYR A 142 -4.078 3.428 -5.141 1.00 4.50 H new ATOM 0 HH TYR A 142 -3.769 3.758 -2.931 1.00 6.50 H new ATOM 2126 N CYS A 143 -5.266 -1.215 -8.898 1.00 1.04 N ATOM 2127 CA CYS A 143 -4.057 -0.962 -9.671 1.00 1.12 C ATOM 2128 C CYS A 143 -4.389 -0.858 -11.159 1.00 1.30 C ATOM 2129 O CYS A 143 -5.404 -1.366 -11.634 1.00 1.30 O ATOM 2130 CB CYS A 143 -3.022 -2.077 -9.439 1.00 1.21 C ATOM 2131 SG CYS A 143 -1.806 -1.554 -8.193 1.00 2.33 S ATOM 0 H CYS A 143 -6.003 -1.682 -9.425 1.00 1.04 H new ATOM 0 HA CYS A 143 -3.630 -0.016 -9.338 1.00 1.12 H new ATOM 0 HB2 CYS A 143 -3.524 -2.986 -9.109 1.00 1.21 H new ATOM 0 HB3 CYS A 143 -2.516 -2.314 -10.375 1.00 1.21 H new ATOM 0 HG CYS A 143 -2.404 -0.869 -7.264 1.00 2.33 H new ATOM 2137 N ARG A 144 -3.500 -0.208 -11.915 1.00 1.60 N ATOM 2138 CA ARG A 144 -3.561 -0.208 -13.369 1.00 1.82 C ATOM 2139 C ARG A 144 -2.816 -1.428 -13.876 1.00 1.80 C ATOM 2140 O ARG A 144 -1.602 -1.495 -13.728 1.00 2.02 O ATOM 2141 CB ARG A 144 -2.896 1.051 -13.929 1.00 2.18 C ATOM 2142 CG ARG A 144 -3.815 2.268 -13.800 1.00 1.68 C ATOM 2143 CD ARG A 144 -3.001 3.497 -13.407 1.00 2.72 C ATOM 2144 NE ARG A 144 -2.660 3.459 -11.979 1.00 4.25 N ATOM 2145 CZ ARG A 144 -2.415 4.556 -11.260 1.00 5.67 C ATOM 2146 NH1 ARG A 144 -2.432 4.509 -9.931 1.00 7.60 N ATOM 2147 NH2 ARG A 144 -2.194 5.714 -11.874 1.00 5.85 N ATOM 0 H ARG A 144 -2.722 0.330 -11.533 1.00 1.60 H new ATOM 0 HA ARG A 144 -4.602 -0.228 -13.691 1.00 1.82 H new ATOM 0 HB2 ARG A 144 -1.963 1.239 -13.398 1.00 2.18 H new ATOM 0 HB3 ARG A 144 -2.640 0.895 -14.977 1.00 2.18 H new ATOM 0 HG2 ARG A 144 -4.328 2.448 -14.745 1.00 1.68 H new ATOM 0 HG3 ARG A 144 -4.584 2.076 -13.051 1.00 1.68 H new ATOM 0 HD2 ARG A 144 -2.089 3.541 -14.003 1.00 2.72 H new ATOM 0 HD3 ARG A 144 -3.569 4.401 -13.626 1.00 2.72 H new ATOM 0 HE ARG A 144 -2.608 2.552 -11.515 1.00 4.25 H new ATOM 0 HH11 ARG A 144 -2.633 3.630 -9.454 1.00 7.60 H new ATOM 0 HH12 ARG A 144 -2.244 5.352 -9.388 1.00 7.60 H new ATOM 0 HH21 ARG A 144 -2.212 5.763 -12.893 1.00 5.85 H new ATOM 0 HH22 ARG A 144 -2.007 6.554 -11.326 1.00 5.85 H new ATOM 2161 N ASP A 145 -3.544 -2.352 -14.493 1.00 1.68 N ATOM 2162 CA ASP A 145 -2.983 -3.485 -15.224 1.00 1.68 C ATOM 2163 C ASP A 145 -4.115 -4.196 -15.965 1.00 1.63 C ATOM 2164 O ASP A 145 -3.982 -4.581 -17.123 1.00 1.81 O ATOM 2165 CB ASP A 145 -2.302 -4.470 -14.269 1.00 1.51 C ATOM 2166 CG ASP A 145 -1.783 -5.674 -15.046 1.00 1.66 C ATOM 2167 OD1 ASP A 145 -2.649 -6.522 -15.359 1.00 1.99 O ATOM 2168 OD2 ASP A 145 -0.557 -5.778 -15.264 1.00 2.91 O ATOM 0 H ASP A 145 -4.564 -2.335 -14.500 1.00 1.68 H new ATOM 0 HA ASP A 145 -2.235 -3.119 -15.927 1.00 1.68 H new ATOM 0 HB2 ASP A 145 -1.478 -3.978 -13.752 1.00 1.51 H new ATOM 0 HB3 ASP A 145 -3.008 -4.796 -13.505 1.00 1.51 H new ATOM 2173 N LYS A 146 -5.242 -4.378 -15.267 1.00 1.52 N ATOM 2174 CA LYS A 146 -6.433 -5.086 -15.700 1.00 1.48 C ATOM 2175 C LYS A 146 -6.329 -6.574 -15.424 1.00 1.32 C ATOM 2176 O LYS A 146 -7.233 -7.118 -14.795 1.00 1.26 O ATOM 2177 CB LYS A 146 -6.794 -4.800 -17.167 1.00 1.70 C ATOM 2178 CG LYS A 146 -8.301 -4.896 -17.406 1.00 1.77 C ATOM 2179 CD LYS A 146 -8.925 -3.514 -17.202 1.00 2.52 C ATOM 2180 CE LYS A 146 -10.371 -3.663 -16.751 1.00 2.40 C ATOM 2181 NZ LYS A 146 -11.303 -3.909 -17.878 1.00 2.82 N ATOM 0 H LYS A 146 -5.344 -4.006 -14.323 1.00 1.52 H new ATOM 0 HA LYS A 146 -7.258 -4.699 -15.102 1.00 1.48 H new ATOM 0 HB2 LYS A 146 -6.445 -3.804 -17.441 1.00 1.70 H new ATOM 0 HB3 LYS A 146 -6.277 -5.508 -17.814 1.00 1.70 H new ATOM 0 HG2 LYS A 146 -8.500 -5.254 -18.416 1.00 1.77 H new ATOM 0 HG3 LYS A 146 -8.746 -5.616 -16.719 1.00 1.77 H new ATOM 0 HD2 LYS A 146 -8.358 -2.955 -16.458 1.00 2.52 H new ATOM 0 HD3 LYS A 146 -8.881 -2.944 -18.130 1.00 2.52 H new ATOM 0 HE2 LYS A 146 -10.442 -4.487 -16.041 1.00 2.40 H new ATOM 0 HE3 LYS A 146 -10.677 -2.760 -16.223 1.00 2.40 H new ATOM 0 HZ1 LYS A 146 -12.272 -4.002 -17.513 1.00 2.82 H new ATOM 0 HZ2 LYS A 146 -11.259 -3.112 -18.545 1.00 2.82 H new ATOM 0 HZ3 LYS A 146 -11.032 -4.785 -18.368 1.00 2.82 H new ATOM 2195 N LYS A 147 -5.254 -7.250 -15.830 1.00 1.30 N ATOM 2196 CA LYS A 147 -5.127 -8.650 -15.452 1.00 1.17 C ATOM 2197 C LYS A 147 -5.024 -8.797 -13.949 1.00 1.13 C ATOM 2198 O LYS A 147 -5.446 -9.821 -13.423 1.00 1.09 O ATOM 2199 CB LYS A 147 -3.935 -9.361 -16.107 1.00 1.21 C ATOM 2200 CG LYS A 147 -4.194 -9.709 -17.575 1.00 1.30 C ATOM 2201 CD LYS A 147 -3.723 -8.618 -18.538 1.00 2.04 C ATOM 2202 CE LYS A 147 -4.104 -9.054 -19.956 1.00 2.85 C ATOM 2203 NZ LYS A 147 -3.567 -8.134 -20.980 1.00 3.83 N ATOM 0 H LYS A 147 -4.493 -6.871 -16.394 1.00 1.30 H new ATOM 0 HA LYS A 147 -6.034 -9.131 -15.819 1.00 1.17 H new ATOM 0 HB2 LYS A 147 -3.053 -8.724 -16.038 1.00 1.21 H new ATOM 0 HB3 LYS A 147 -3.712 -10.274 -15.554 1.00 1.21 H new ATOM 0 HG2 LYS A 147 -3.687 -10.643 -17.816 1.00 1.30 H new ATOM 0 HG3 LYS A 147 -5.261 -9.879 -17.720 1.00 1.30 H new ATOM 0 HD2 LYS A 147 -4.189 -7.664 -18.293 1.00 2.04 H new ATOM 0 HD3 LYS A 147 -2.645 -8.476 -18.458 1.00 2.04 H new ATOM 0 HE2 LYS A 147 -3.728 -10.060 -20.139 1.00 2.85 H new ATOM 0 HE3 LYS A 147 -5.190 -9.099 -20.042 1.00 2.85 H new ATOM 0 HZ1 LYS A 147 -3.847 -8.465 -21.925 1.00 3.83 H new ATOM 0 HZ2 LYS A 147 -3.946 -7.179 -20.821 1.00 3.83 H new ATOM 0 HZ3 LYS A 147 -2.529 -8.110 -20.915 1.00 3.83 H new ATOM 2217 N TRP A 148 -4.487 -7.811 -13.238 1.00 1.20 N ATOM 2218 CA TRP A 148 -4.348 -7.986 -11.795 1.00 1.18 C ATOM 2219 C TRP A 148 -5.718 -7.847 -11.165 1.00 1.22 C ATOM 2220 O TRP A 148 -6.067 -8.593 -10.262 1.00 1.05 O ATOM 2221 CB TRP A 148 -3.360 -6.988 -11.186 1.00 1.35 C ATOM 2222 CG TRP A 148 -1.922 -7.148 -11.572 1.00 2.63 C ATOM 2223 CD1 TRP A 148 -1.483 -7.584 -12.771 1.00 3.76 C ATOM 2224 CD2 TRP A 148 -0.710 -6.837 -10.811 1.00 3.46 C ATOM 2225 NE1 TRP A 148 -0.122 -7.427 -12.863 1.00 5.22 N ATOM 2226 CE2 TRP A 148 0.420 -7.040 -11.659 1.00 5.11 C ATOM 2227 CE3 TRP A 148 -0.447 -6.395 -9.496 1.00 3.12 C ATOM 2228 CZ2 TRP A 148 1.737 -6.820 -11.228 1.00 6.29 C ATOM 2229 CZ3 TRP A 148 0.872 -6.186 -9.046 1.00 4.25 C ATOM 2230 CH2 TRP A 148 1.962 -6.399 -9.909 1.00 5.82 C ATOM 0 H TRP A 148 -4.155 -6.922 -13.613 1.00 1.20 H new ATOM 0 HA TRP A 148 -3.941 -8.977 -11.595 1.00 1.18 H new ATOM 0 HB2 TRP A 148 -3.677 -5.983 -11.463 1.00 1.35 H new ATOM 0 HB3 TRP A 148 -3.431 -7.057 -10.101 1.00 1.35 H new ATOM 0 HD1 TRP A 148 -2.111 -7.997 -13.546 1.00 3.76 H new ATOM 0 HE1 TRP A 148 0.418 -7.578 -13.715 1.00 5.22 H new ATOM 0 HE3 TRP A 148 -1.272 -6.214 -8.823 1.00 3.12 H new ATOM 0 HZ2 TRP A 148 2.566 -6.973 -11.903 1.00 6.29 H new ATOM 0 HZ3 TRP A 148 1.047 -5.860 -8.031 1.00 4.25 H new ATOM 0 HH2 TRP A 148 2.970 -6.239 -9.557 1.00 5.82 H new ATOM 2241 N GLU A 149 -6.518 -6.928 -11.689 1.00 1.49 N ATOM 2242 CA GLU A 149 -7.858 -6.684 -11.181 1.00 1.68 C ATOM 2243 C GLU A 149 -8.704 -7.932 -11.420 1.00 1.61 C ATOM 2244 O GLU A 149 -9.490 -8.349 -10.577 1.00 1.70 O ATOM 2245 CB GLU A 149 -8.436 -5.452 -11.885 1.00 2.03 C ATOM 2246 CG GLU A 149 -7.604 -4.198 -11.574 1.00 3.56 C ATOM 2247 CD GLU A 149 -7.752 -3.766 -10.114 1.00 5.07 C ATOM 2248 OE1 GLU A 149 -6.708 -3.564 -9.456 1.00 6.49 O ATOM 2249 OE2 GLU A 149 -8.915 -3.619 -9.686 1.00 5.21 O ATOM 0 H GLU A 149 -6.256 -6.333 -12.475 1.00 1.49 H new ATOM 0 HA GLU A 149 -7.847 -6.483 -10.110 1.00 1.68 H new ATOM 0 HB2 GLU A 149 -8.457 -5.621 -12.962 1.00 2.03 H new ATOM 0 HB3 GLU A 149 -9.467 -5.297 -11.566 1.00 2.03 H new ATOM 0 HG2 GLU A 149 -6.554 -4.396 -11.790 1.00 3.56 H new ATOM 0 HG3 GLU A 149 -7.916 -3.383 -12.228 1.00 3.56 H new ATOM 2256 N MET A 150 -8.515 -8.571 -12.573 1.00 1.50 N ATOM 2257 CA MET A 150 -9.209 -9.795 -12.909 1.00 1.55 C ATOM 2258 C MET A 150 -8.786 -10.894 -11.948 1.00 1.40 C ATOM 2259 O MET A 150 -9.637 -11.502 -11.321 1.00 1.48 O ATOM 2260 CB MET A 150 -8.894 -10.182 -14.358 1.00 1.54 C ATOM 2261 CG MET A 150 -9.948 -9.668 -15.341 1.00 1.96 C ATOM 2262 SD MET A 150 -11.261 -10.870 -15.689 1.00 2.52 S ATOM 2263 CE MET A 150 -11.721 -10.346 -17.363 1.00 2.91 C ATOM 0 H MET A 150 -7.873 -8.247 -13.297 1.00 1.50 H new ATOM 0 HA MET A 150 -10.286 -9.650 -12.819 1.00 1.55 H new ATOM 0 HB2 MET A 150 -7.918 -9.782 -14.634 1.00 1.54 H new ATOM 0 HB3 MET A 150 -8.828 -11.267 -14.435 1.00 1.54 H new ATOM 0 HG2 MET A 150 -10.396 -8.759 -14.939 1.00 1.96 H new ATOM 0 HG3 MET A 150 -9.459 -9.395 -16.276 1.00 1.96 H new ATOM 0 HE1 MET A 150 -12.523 -10.983 -17.736 1.00 2.91 H new ATOM 0 HE2 MET A 150 -12.061 -9.311 -17.340 1.00 2.91 H new ATOM 0 HE3 MET A 150 -10.856 -10.429 -18.021 1.00 2.91 H new ATOM 2273 N THR A 151 -7.495 -11.174 -11.803 1.00 1.21 N ATOM 2274 CA THR A 151 -7.050 -12.294 -11.003 1.00 1.13 C ATOM 2275 C THR A 151 -7.480 -12.131 -9.563 1.00 1.08 C ATOM 2276 O THR A 151 -7.975 -13.073 -8.947 1.00 1.19 O ATOM 2277 CB THR A 151 -5.530 -12.411 -11.115 1.00 1.09 C ATOM 2278 OG1 THR A 151 -5.144 -12.521 -12.468 1.00 1.12 O ATOM 2279 CG2 THR A 151 -5.027 -13.656 -10.407 1.00 1.28 C ATOM 0 H THR A 151 -6.742 -10.636 -12.232 1.00 1.21 H new ATOM 0 HA THR A 151 -7.508 -13.211 -11.374 1.00 1.13 H new ATOM 0 HB THR A 151 -5.106 -11.517 -10.659 1.00 1.09 H new ATOM 0 HG1 THR A 151 -5.181 -11.638 -12.891 1.00 1.12 H new ATOM 0 HG21 THR A 151 -3.943 -13.715 -10.502 1.00 1.28 H new ATOM 0 HG22 THR A 151 -5.297 -13.609 -9.352 1.00 1.28 H new ATOM 0 HG23 THR A 151 -5.480 -14.539 -10.858 1.00 1.28 H new ATOM 2287 N LEU A 152 -7.324 -10.929 -9.021 1.00 1.01 N ATOM 2288 CA LEU A 152 -7.759 -10.689 -7.664 1.00 1.01 C ATOM 2289 C LEU A 152 -9.259 -10.873 -7.548 1.00 1.19 C ATOM 2290 O LEU A 152 -9.710 -11.393 -6.536 1.00 1.20 O ATOM 2291 CB LEU A 152 -7.330 -9.301 -7.182 1.00 1.04 C ATOM 2292 CG LEU A 152 -5.944 -9.381 -6.533 1.00 1.22 C ATOM 2293 CD1 LEU A 152 -4.977 -8.403 -7.191 1.00 2.16 C ATOM 2294 CD2 LEU A 152 -6.083 -9.093 -5.037 1.00 2.21 C ATOM 0 H LEU A 152 -6.908 -10.126 -9.493 1.00 1.01 H new ATOM 0 HA LEU A 152 -7.276 -11.421 -7.017 1.00 1.01 H new ATOM 0 HB2 LEU A 152 -7.309 -8.605 -8.021 1.00 1.04 H new ATOM 0 HB3 LEU A 152 -8.055 -8.915 -6.466 1.00 1.04 H new ATOM 0 HG LEU A 152 -5.534 -10.381 -6.672 1.00 1.22 H new ATOM 0 HD11 LEU A 152 -4.001 -8.479 -6.712 1.00 2.16 H new ATOM 0 HD12 LEU A 152 -4.882 -8.643 -8.250 1.00 2.16 H new ATOM 0 HD13 LEU A 152 -5.356 -7.387 -7.082 1.00 2.16 H new ATOM 0 HD21 LEU A 152 -5.103 -9.147 -4.563 1.00 2.21 H new ATOM 0 HD22 LEU A 152 -6.500 -8.096 -4.896 1.00 2.21 H new ATOM 0 HD23 LEU A 152 -6.746 -9.831 -4.584 1.00 2.21 H new ATOM 2306 N LYS A 153 -10.045 -10.484 -8.554 1.00 1.40 N ATOM 2307 CA LYS A 153 -11.488 -10.662 -8.431 1.00 1.70 C ATOM 2308 C LYS A 153 -11.836 -12.138 -8.583 1.00 1.78 C ATOM 2309 O LYS A 153 -12.838 -12.591 -8.046 1.00 1.98 O ATOM 2310 CB LYS A 153 -12.261 -9.720 -9.374 1.00 2.07 C ATOM 2311 CG LYS A 153 -12.629 -10.253 -10.761 1.00 1.59 C ATOM 2312 CD LYS A 153 -13.993 -10.950 -10.787 1.00 2.02 C ATOM 2313 CE LYS A 153 -14.127 -11.721 -12.102 1.00 3.84 C ATOM 2314 NZ LYS A 153 -15.328 -12.582 -12.106 1.00 4.73 N ATOM 0 H LYS A 153 -9.724 -10.062 -9.425 1.00 1.40 H new ATOM 0 HA LYS A 153 -11.813 -10.367 -7.433 1.00 1.70 H new ATOM 0 HB2 LYS A 153 -13.182 -9.424 -8.872 1.00 2.07 H new ATOM 0 HB3 LYS A 153 -11.666 -8.816 -9.508 1.00 2.07 H new ATOM 0 HG2 LYS A 153 -12.634 -9.427 -11.473 1.00 1.59 H new ATOM 0 HG3 LYS A 153 -11.862 -10.953 -11.091 1.00 1.59 H new ATOM 0 HD2 LYS A 153 -14.086 -11.630 -9.940 1.00 2.02 H new ATOM 0 HD3 LYS A 153 -14.794 -10.216 -10.696 1.00 2.02 H new ATOM 0 HE2 LYS A 153 -14.180 -11.018 -12.933 1.00 3.84 H new ATOM 0 HE3 LYS A 153 -13.239 -12.333 -12.258 1.00 3.84 H new ATOM 0 HZ1 LYS A 153 -15.388 -13.090 -13.012 1.00 4.73 H new ATOM 0 HZ2 LYS A 153 -15.265 -13.269 -11.327 1.00 4.73 H new ATOM 0 HZ3 LYS A 153 -16.177 -11.994 -11.982 1.00 4.73 H new ATOM 2328 N GLU A 154 -11.015 -12.893 -9.307 1.00 1.70 N ATOM 2329 CA GLU A 154 -11.209 -14.308 -9.561 1.00 1.84 C ATOM 2330 C GLU A 154 -11.040 -15.038 -8.236 1.00 1.86 C ATOM 2331 O GLU A 154 -11.921 -15.762 -7.804 1.00 2.23 O ATOM 2332 CB GLU A 154 -10.210 -14.780 -10.636 1.00 1.79 C ATOM 2333 CG GLU A 154 -10.857 -15.572 -11.779 1.00 2.16 C ATOM 2334 CD GLU A 154 -11.041 -17.057 -11.460 1.00 2.50 C ATOM 2335 OE1 GLU A 154 -11.509 -17.354 -10.341 1.00 3.85 O ATOM 2336 OE2 GLU A 154 -10.721 -17.877 -12.348 1.00 2.87 O ATOM 0 H GLU A 154 -10.172 -12.521 -9.744 1.00 1.70 H new ATOM 0 HA GLU A 154 -12.205 -14.520 -9.950 1.00 1.84 H new ATOM 0 HB2 GLU A 154 -9.701 -13.911 -11.052 1.00 1.79 H new ATOM 0 HB3 GLU A 154 -9.448 -15.400 -10.163 1.00 1.79 H new ATOM 0 HG2 GLU A 154 -11.828 -15.134 -12.010 1.00 2.16 H new ATOM 0 HG3 GLU A 154 -10.242 -15.473 -12.673 1.00 2.16 H new ATOM 2343 N ALA A 155 -9.951 -14.777 -7.521 1.00 1.54 N ATOM 2344 CA ALA A 155 -9.665 -15.413 -6.245 1.00 1.59 C ATOM 2345 C ALA A 155 -10.650 -14.944 -5.184 1.00 1.64 C ATOM 2346 O ALA A 155 -11.143 -15.749 -4.397 1.00 1.89 O ATOM 2347 CB ALA A 155 -8.222 -15.106 -5.833 1.00 1.43 C ATOM 0 H ALA A 155 -9.237 -14.111 -7.816 1.00 1.54 H new ATOM 0 HA ALA A 155 -9.777 -16.493 -6.346 1.00 1.59 H new ATOM 0 HB1 ALA A 155 -8.007 -15.583 -4.877 1.00 1.43 H new ATOM 0 HB2 ALA A 155 -7.538 -15.489 -6.591 1.00 1.43 H new ATOM 0 HB3 ALA A 155 -8.092 -14.028 -5.738 1.00 1.43 H new ATOM 2353 N VAL A 156 -10.966 -13.650 -5.160 1.00 1.51 N ATOM 2354 CA VAL A 156 -11.928 -13.108 -4.221 1.00 1.63 C ATOM 2355 C VAL A 156 -13.331 -13.625 -4.548 1.00 2.13 C ATOM 2356 O VAL A 156 -14.201 -13.576 -3.681 1.00 2.58 O ATOM 2357 CB VAL A 156 -11.816 -11.575 -4.213 1.00 1.55 C ATOM 2358 CG1 VAL A 156 -12.989 -10.891 -3.524 1.00 1.88 C ATOM 2359 CG2 VAL A 156 -10.534 -11.168 -3.473 1.00 1.15 C ATOM 0 H VAL A 156 -10.561 -12.957 -5.790 1.00 1.51 H new ATOM 0 HA VAL A 156 -11.715 -13.446 -3.207 1.00 1.63 H new ATOM 0 HB VAL A 156 -11.807 -11.257 -5.256 1.00 1.55 H new ATOM 0 HG11 VAL A 156 -12.848 -9.811 -3.553 1.00 1.88 H new ATOM 0 HG12 VAL A 156 -13.914 -11.150 -4.038 1.00 1.88 H new ATOM 0 HG13 VAL A 156 -13.045 -11.222 -2.487 1.00 1.88 H new ATOM 0 HG21 VAL A 156 -10.449 -10.081 -3.464 1.00 1.15 H new ATOM 0 HG22 VAL A 156 -10.572 -11.538 -2.448 1.00 1.15 H new ATOM 0 HG23 VAL A 156 -9.669 -11.596 -3.981 1.00 1.15 H new ATOM 2369 N ALA A 157 -13.556 -14.139 -5.761 1.00 2.12 N ATOM 2370 CA ALA A 157 -14.809 -14.803 -6.096 1.00 2.46 C ATOM 2371 C ALA A 157 -14.765 -16.259 -5.636 1.00 2.57 C ATOM 2372 O ALA A 157 -15.684 -16.752 -4.997 1.00 2.79 O ATOM 2373 CB ALA A 157 -15.080 -14.693 -7.597 1.00 2.63 C ATOM 0 H ALA A 157 -12.882 -14.105 -6.526 1.00 2.12 H new ATOM 0 HA ALA A 157 -15.631 -14.311 -5.576 1.00 2.46 H new ATOM 0 HB1 ALA A 157 -16.019 -15.193 -7.835 1.00 2.63 H new ATOM 0 HB2 ALA A 157 -15.147 -13.642 -7.879 1.00 2.63 H new ATOM 0 HB3 ALA A 157 -14.267 -15.165 -8.149 1.00 2.63 H new ATOM 2379 N ARG A 158 -13.689 -16.977 -5.951 1.00 2.48 N ATOM 2380 CA ARG A 158 -13.549 -18.392 -5.645 1.00 2.69 C ATOM 2381 C ARG A 158 -13.457 -18.637 -4.144 1.00 2.68 C ATOM 2382 O ARG A 158 -13.640 -19.766 -3.704 1.00 3.01 O ATOM 2383 CB ARG A 158 -12.334 -18.992 -6.371 1.00 2.64 C ATOM 2384 CG ARG A 158 -12.790 -20.073 -7.353 1.00 3.14 C ATOM 2385 CD ARG A 158 -11.576 -20.831 -7.891 1.00 2.90 C ATOM 2386 NE ARG A 158 -11.985 -21.892 -8.823 1.00 3.69 N ATOM 2387 CZ ARG A 158 -11.262 -22.975 -9.133 1.00 3.91 C ATOM 2388 NH1 ARG A 158 -11.749 -23.884 -9.979 1.00 5.02 N ATOM 2389 NH2 ARG A 158 -10.054 -23.155 -8.595 1.00 3.63 N ATOM 0 H ARG A 158 -12.881 -16.583 -6.433 1.00 2.48 H new ATOM 0 HA ARG A 158 -14.447 -18.894 -6.005 1.00 2.69 H new ATOM 0 HB2 ARG A 158 -11.796 -18.209 -6.905 1.00 2.64 H new ATOM 0 HB3 ARG A 158 -11.641 -19.418 -5.646 1.00 2.64 H new ATOM 0 HG2 ARG A 158 -13.471 -20.764 -6.856 1.00 3.14 H new ATOM 0 HG3 ARG A 158 -13.341 -19.619 -8.177 1.00 3.14 H new ATOM 0 HD2 ARG A 158 -10.905 -20.137 -8.397 1.00 2.90 H new ATOM 0 HD3 ARG A 158 -11.018 -21.266 -7.062 1.00 2.90 H new ATOM 0 HE ARG A 158 -12.896 -21.795 -9.271 1.00 3.69 H new ATOM 0 HH11 ARG A 158 -12.673 -23.754 -10.390 1.00 5.02 H new ATOM 0 HH12 ARG A 158 -11.197 -24.709 -10.214 1.00 5.02 H new ATOM 0 HH21 ARG A 158 -9.678 -22.466 -7.944 1.00 3.63 H new ATOM 0 HH22 ARG A 158 -9.507 -23.982 -8.835 1.00 3.63 H new ATOM 2403 N ARG A 159 -13.128 -17.608 -3.363 1.00 2.34 N ATOM 2404 CA ARG A 159 -13.134 -17.723 -1.906 1.00 2.34 C ATOM 2405 C ARG A 159 -14.537 -17.918 -1.333 1.00 2.47 C ATOM 2406 O ARG A 159 -14.654 -18.334 -0.184 1.00 2.65 O ATOM 2407 CB ARG A 159 -12.466 -16.493 -1.283 1.00 2.25 C ATOM 2408 CG ARG A 159 -13.351 -15.241 -1.296 1.00 4.70 C ATOM 2409 CD ARG A 159 -14.123 -15.052 0.010 1.00 6.01 C ATOM 2410 NE ARG A 159 -15.065 -13.932 -0.094 1.00 8.35 N ATOM 2411 CZ ARG A 159 -15.974 -13.632 0.842 1.00 10.13 C ATOM 2412 NH1 ARG A 159 -16.752 -12.558 0.702 1.00 12.26 N ATOM 2413 NH2 ARG A 159 -16.099 -14.408 1.921 1.00 9.96 N ATOM 0 H ARG A 159 -12.855 -16.690 -3.713 1.00 2.34 H new ATOM 0 HA ARG A 159 -12.567 -18.618 -1.650 1.00 2.34 H new ATOM 0 HB2 ARG A 159 -12.190 -16.722 -0.254 1.00 2.25 H new ATOM 0 HB3 ARG A 159 -11.542 -16.280 -1.821 1.00 2.25 H new ATOM 0 HG2 ARG A 159 -12.730 -14.364 -1.477 1.00 4.70 H new ATOM 0 HG3 ARG A 159 -14.057 -15.308 -2.124 1.00 4.70 H new ATOM 0 HD2 ARG A 159 -14.665 -15.966 0.252 1.00 6.01 H new ATOM 0 HD3 ARG A 159 -13.424 -14.870 0.827 1.00 6.01 H new ATOM 0 HE ARG A 159 -15.025 -13.347 -0.929 1.00 8.35 H new ATOM 0 HH11 ARG A 159 -16.656 -11.962 -0.120 1.00 12.26 H new ATOM 0 HH12 ARG A 159 -17.444 -12.332 1.417 1.00 12.26 H new ATOM 0 HH21 ARG A 159 -15.502 -15.228 2.031 1.00 9.96 H new ATOM 0 HH22 ARG A 159 -16.791 -14.181 2.635 1.00 9.96 H new ATOM 2427 N GLU A 160 -15.560 -17.469 -2.062 1.00 2.55 N ATOM 2428 CA GLU A 160 -16.958 -17.496 -1.636 1.00 2.80 C ATOM 2429 C GLU A 160 -17.379 -18.908 -1.238 1.00 3.12 C ATOM 2430 O GLU A 160 -18.061 -19.008 -0.194 1.00 3.67 O ATOM 2431 CB GLU A 160 -17.873 -16.950 -2.748 1.00 3.64 C ATOM 2432 CG GLU A 160 -17.667 -15.445 -2.990 1.00 4.55 C ATOM 2433 CD GLU A 160 -18.430 -14.922 -4.217 1.00 5.81 C ATOM 2434 OE1 GLU A 160 -19.568 -15.391 -4.449 1.00 6.09 O ATOM 2435 OE2 GLU A 160 -17.891 -14.010 -4.888 1.00 6.98 O ATOM 0 H GLU A 160 -15.434 -17.066 -2.990 1.00 2.55 H new ATOM 0 HA GLU A 160 -17.059 -16.854 -0.761 1.00 2.80 H new ATOM 0 HB2 GLU A 160 -17.681 -17.494 -3.673 1.00 3.64 H new ATOM 0 HB3 GLU A 160 -18.914 -17.133 -2.481 1.00 3.64 H new ATOM 0 HG2 GLU A 160 -17.989 -14.894 -2.107 1.00 4.55 H new ATOM 0 HG3 GLU A 160 -16.603 -15.246 -3.119 1.00 4.55 H new TER 2442 GLU A 160