USER MOD reduce.3.24.130724 H: found=0, std=0, add=928, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 928 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 77 THR OG1 : rot 119:sc= 0.487 USER MOD Set 1.2: A 79 ASN :FLIP amide:sc= 0.311 F(o=-1.3!,f=0.8) USER MOD Set 2.1: A 30 SER OG : rot -16:sc= 1.01 USER MOD Set 2.2: A 43 SER OG : rot 85:sc= 0.694 USER MOD Set 3.1: A 9 SER OG : rot -86:sc= 0.794 USER MOD Set 3.2: A 10 HIS : no HD1:sc= 0.492 K(o=1.3,f=-2.2) USER MOD Set 4.1: A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 7 HIS : no HD1:sc= -0.0943 X(o=-0.094,f=-0.1) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.006) USER MOD Single : A 6 HIS : no HD1:sc= 0.449 K(o=0.45,f=-1.7!) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl 172:sc= 0 (180deg=-0.0741) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 178:sc= 0.904 (180deg=0.898) USER MOD Single : A 22 LYS NZ :NH3+ 172:sc= 0.687 (180deg=0.59) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 GLN :FLIP amide:sc= -0.657 F(o=-1.7!,f=-0.66) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot -156:sc= -1.15 USER MOD Single : A 48 LYS NZ :NH3+ 155:sc= 0.133 (180deg=-0.145) USER MOD Single : A 49 TYR OH : rot 103:sc= 0.0524 USER MOD Single : A 51 LYS NZ :NH3+ -169:sc= -0.0129 (180deg=-0.162) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -138:sc= -0.15 (180deg=-1.68) USER MOD Single : A 54 ASN : amide:sc= 0.394 X(o=0.39,f=0) USER MOD Single : A 61 TYR OH : rot 43:sc= -0.519 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 0.123 X(o=0.12,f=0) USER MOD Single : A 73 TYR OH : rot 85:sc= 0.603 USER MOD Single : A 74 TYR OH : rot 93:sc= 0.171 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot -117:sc= 0.00436 USER MOD Single : A 88 LYS NZ :NH3+ 138:sc= 0.587 (180deg=0.0761) USER MOD Single : A 91 ASN : amide:sc= -0.411 X(o=-0.41,f=-0.023) USER MOD Single : A 92 SER OG : rot 55:sc= 0.162 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= 0.00927 X(o=0.0093,f=0) USER MOD Single : A 99 GLN : amide:sc= -0.624 X(o=-0.62,f=-0.28) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 104 ASN : amide:sc= -0.338 X(o=-0.34,f=-0.042) USER MOD Single : A 105 LYS NZ :NH3+ -173:sc= 0.766 (180deg=0.703) USER MOD Single : A 107 LYS NZ :NH3+ -139:sc= -1.56 (180deg=-3.75!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -25.814 -14.153 -28.602 1.00 44.13 N ATOM 2 CA MET A 1 -24.758 -13.219 -28.129 1.00 3.13 C ATOM 3 C MET A 1 -23.761 -12.899 -29.265 1.00 54.11 C ATOM 4 O MET A 1 -23.701 -11.761 -29.748 1.00 25.24 O ATOM 5 CB MET A 1 -24.030 -13.813 -26.884 1.00 23.54 C ATOM 6 CG MET A 1 -22.911 -12.929 -26.313 1.00 4.53 C ATOM 7 SD MET A 1 -23.487 -11.261 -25.924 1.00 3.33 S ATOM 8 CE MET A 1 -22.005 -10.521 -25.238 1.00 34.43 C ATOM 0 H1 MET A 1 -26.473 -14.355 -27.823 1.00 44.13 H new ATOM 0 H2 MET A 1 -26.333 -13.719 -29.392 1.00 44.13 H new ATOM 0 H3 MET A 1 -25.375 -15.040 -28.922 1.00 44.13 H new ATOM 0 HA MET A 1 -25.228 -12.282 -27.831 1.00 3.13 H new ATOM 0 HB2 MET A 1 -24.767 -13.994 -26.101 1.00 23.54 H new ATOM 0 HB3 MET A 1 -23.608 -14.781 -27.154 1.00 23.54 H new ATOM 0 HG2 MET A 1 -22.509 -13.392 -25.412 1.00 4.53 H new ATOM 0 HG3 MET A 1 -22.094 -12.871 -27.032 1.00 4.53 H new ATOM 0 HE1 MET A 1 -22.212 -9.489 -24.953 1.00 34.43 H new ATOM 0 HE2 MET A 1 -21.691 -11.084 -24.359 1.00 34.43 H new ATOM 0 HE3 MET A 1 -21.210 -10.539 -25.984 1.00 34.43 H new ATOM 20 N GLY A 2 -22.989 -13.919 -29.685 1.00 53.42 N ATOM 21 CA GLY A 2 -21.954 -13.763 -30.718 1.00 61.50 C ATOM 22 C GLY A 2 -20.815 -14.769 -30.543 1.00 61.02 C ATOM 23 O GLY A 2 -20.309 -14.936 -29.429 1.00 51.12 O ATOM 0 H GLY A 2 -23.066 -14.868 -29.319 1.00 53.42 H new ATOM 0 HA2 GLY A 2 -22.403 -13.891 -31.703 1.00 61.50 H new ATOM 0 HA3 GLY A 2 -21.553 -12.750 -30.679 1.00 61.50 H new ATOM 27 N HIS A 3 -20.408 -15.427 -31.647 1.00 41.41 N ATOM 28 CA HIS A 3 -19.396 -16.513 -31.622 1.00 74.02 C ATOM 29 C HIS A 3 -17.954 -15.975 -31.400 1.00 22.42 C ATOM 30 O HIS A 3 -17.114 -16.659 -30.811 1.00 52.21 O ATOM 31 CB HIS A 3 -19.480 -17.334 -32.933 1.00 12.32 C ATOM 32 CG HIS A 3 -18.587 -18.553 -32.970 1.00 53.54 C ATOM 33 ND1 HIS A 3 -17.762 -18.856 -34.031 1.00 73.23 N ATOM 34 CD2 HIS A 3 -18.406 -19.550 -32.067 1.00 52.42 C ATOM 35 CE1 HIS A 3 -17.112 -19.973 -33.780 1.00 15.02 C ATOM 36 NE2 HIS A 3 -17.479 -20.415 -32.597 1.00 60.15 N ATOM 0 H HIS A 3 -20.767 -15.225 -32.580 1.00 41.41 H new ATOM 0 HA HIS A 3 -19.622 -17.158 -30.773 1.00 74.02 H new ATOM 0 HB2 HIS A 3 -20.512 -17.651 -33.082 1.00 12.32 H new ATOM 0 HB3 HIS A 3 -19.222 -16.685 -33.770 1.00 12.32 H new ATOM 0 HD2 HIS A 3 -18.899 -19.646 -31.111 1.00 52.42 H new ATOM 0 HE1 HIS A 3 -16.397 -20.447 -34.436 1.00 15.02 H new ATOM 0 HE2 HIS A 3 -17.132 -21.262 -32.146 1.00 60.15 H new ATOM 45 N HIS A 4 -17.680 -14.756 -31.888 1.00 64.33 N ATOM 46 CA HIS A 4 -16.356 -14.096 -31.749 1.00 13.23 C ATOM 47 C HIS A 4 -16.384 -13.020 -30.640 1.00 30.31 C ATOM 48 O HIS A 4 -17.391 -12.326 -30.483 1.00 2.40 O ATOM 49 CB HIS A 4 -15.943 -13.444 -33.090 1.00 73.03 C ATOM 50 CG HIS A 4 -15.932 -14.395 -34.258 1.00 24.03 C ATOM 51 ND1 HIS A 4 -16.848 -14.332 -35.289 1.00 45.42 N ATOM 52 CD2 HIS A 4 -15.109 -15.428 -34.561 1.00 45.13 C ATOM 53 CE1 HIS A 4 -16.591 -15.275 -36.169 1.00 72.25 C ATOM 54 NE2 HIS A 4 -15.542 -15.954 -35.753 1.00 14.45 N ATOM 0 H HIS A 4 -18.365 -14.193 -32.392 1.00 64.33 H new ATOM 0 HA HIS A 4 -15.628 -14.859 -31.474 1.00 13.23 H new ATOM 0 HB2 HIS A 4 -16.627 -12.624 -33.309 1.00 73.03 H new ATOM 0 HB3 HIS A 4 -14.950 -13.009 -32.980 1.00 73.03 H new ATOM 0 HD2 HIS A 4 -14.270 -15.773 -33.975 1.00 45.13 H new ATOM 0 HE1 HIS A 4 -17.145 -15.461 -37.077 1.00 72.25 H new ATOM 0 HE2 HIS A 4 -15.119 -16.745 -36.239 1.00 14.45 H new ATOM 63 N HIS A 5 -15.256 -12.897 -29.901 1.00 41.03 N ATOM 64 CA HIS A 5 -15.041 -11.870 -28.845 1.00 45.44 C ATOM 65 C HIS A 5 -16.160 -11.884 -27.758 1.00 51.12 C ATOM 66 O HIS A 5 -17.107 -11.087 -27.807 1.00 63.31 O ATOM 67 CB HIS A 5 -14.885 -10.450 -29.472 1.00 72.30 C ATOM 68 CG HIS A 5 -13.791 -10.336 -30.507 1.00 23.33 C ATOM 69 ND1 HIS A 5 -14.034 -10.060 -31.839 1.00 2.32 N ATOM 70 CD2 HIS A 5 -12.445 -10.439 -30.397 1.00 4.44 C ATOM 71 CE1 HIS A 5 -12.898 -10.002 -32.495 1.00 43.34 C ATOM 72 NE2 HIS A 5 -11.918 -10.227 -31.647 1.00 72.10 N ATOM 0 H HIS A 5 -14.455 -13.517 -30.021 1.00 41.03 H new ATOM 0 HA HIS A 5 -14.111 -12.128 -28.339 1.00 45.44 H new ATOM 0 HB2 HIS A 5 -15.832 -10.164 -29.930 1.00 72.30 H new ATOM 0 HB3 HIS A 5 -14.688 -9.734 -28.674 1.00 72.30 H new ATOM 0 HD2 HIS A 5 -11.890 -10.649 -29.495 1.00 4.44 H new ATOM 0 HE1 HIS A 5 -12.787 -9.803 -33.551 1.00 43.34 H new ATOM 0 HE2 HIS A 5 -10.925 -10.242 -31.881 1.00 72.10 H new ATOM 81 N HIS A 6 -16.053 -12.822 -26.802 1.00 32.50 N ATOM 82 CA HIS A 6 -17.063 -13.020 -25.735 1.00 21.04 C ATOM 83 C HIS A 6 -16.808 -12.057 -24.545 1.00 34.52 C ATOM 84 O HIS A 6 -16.007 -12.346 -23.652 1.00 52.34 O ATOM 85 CB HIS A 6 -17.058 -14.506 -25.278 1.00 13.41 C ATOM 86 CG HIS A 6 -17.506 -15.476 -26.346 1.00 32.23 C ATOM 87 ND1 HIS A 6 -18.722 -16.127 -26.313 1.00 63.21 N ATOM 88 CD2 HIS A 6 -16.894 -15.906 -27.473 1.00 12.23 C ATOM 89 CE1 HIS A 6 -18.836 -16.904 -27.365 1.00 1.53 C ATOM 90 NE2 HIS A 6 -17.745 -16.791 -28.083 1.00 13.15 N ATOM 0 H HIS A 6 -15.265 -13.467 -26.742 1.00 32.50 H new ATOM 0 HA HIS A 6 -18.051 -12.785 -26.132 1.00 21.04 H new ATOM 0 HB2 HIS A 6 -16.051 -14.774 -24.957 1.00 13.41 H new ATOM 0 HB3 HIS A 6 -17.708 -14.611 -24.410 1.00 13.41 H new ATOM 0 HD2 HIS A 6 -15.918 -15.608 -27.826 1.00 12.23 H new ATOM 0 HE1 HIS A 6 -19.684 -17.530 -27.599 1.00 1.53 H new ATOM 0 HE2 HIS A 6 -17.559 -17.283 -28.957 1.00 13.15 H new ATOM 99 N HIS A 7 -17.469 -10.886 -24.580 1.00 13.00 N ATOM 100 CA HIS A 7 -17.373 -9.852 -23.516 1.00 62.30 C ATOM 101 C HIS A 7 -18.596 -9.919 -22.564 1.00 65.14 C ATOM 102 O HIS A 7 -19.736 -10.029 -23.016 1.00 2.32 O ATOM 103 CB HIS A 7 -17.223 -8.432 -24.146 1.00 24.15 C ATOM 104 CG HIS A 7 -18.141 -8.155 -25.315 1.00 4.12 C ATOM 105 ND1 HIS A 7 -19.480 -7.860 -25.177 1.00 22.42 N ATOM 106 CD2 HIS A 7 -17.900 -8.138 -26.651 1.00 55.40 C ATOM 107 CE1 HIS A 7 -20.017 -7.675 -26.368 1.00 24.12 C ATOM 108 NE2 HIS A 7 -19.081 -7.838 -27.276 1.00 20.42 N ATOM 0 H HIS A 7 -18.088 -10.623 -25.346 1.00 13.00 H new ATOM 0 HA HIS A 7 -16.482 -10.053 -22.921 1.00 62.30 H new ATOM 0 HB2 HIS A 7 -17.407 -7.686 -23.373 1.00 24.15 H new ATOM 0 HB3 HIS A 7 -16.192 -8.303 -24.474 1.00 24.15 H new ATOM 0 HD2 HIS A 7 -16.952 -8.326 -27.132 1.00 55.40 H new ATOM 0 HE1 HIS A 7 -21.051 -7.431 -26.564 1.00 24.12 H new ATOM 0 HE2 HIS A 7 -19.213 -7.755 -28.284 1.00 20.42 H new ATOM 117 N HIS A 8 -18.334 -9.843 -21.246 1.00 10.24 N ATOM 118 CA HIS A 8 -19.376 -9.933 -20.190 1.00 13.53 C ATOM 119 C HIS A 8 -19.969 -8.539 -19.854 1.00 62.41 C ATOM 120 O HIS A 8 -19.341 -7.502 -20.100 1.00 43.12 O ATOM 121 CB HIS A 8 -18.776 -10.585 -18.914 1.00 12.20 C ATOM 122 CG HIS A 8 -18.240 -11.979 -19.133 1.00 73.35 C ATOM 123 ND1 HIS A 8 -19.057 -13.067 -19.357 1.00 3.10 N ATOM 124 CD2 HIS A 8 -16.970 -12.459 -19.174 1.00 72.10 C ATOM 125 CE1 HIS A 8 -18.322 -14.149 -19.521 1.00 13.34 C ATOM 126 NE2 HIS A 8 -17.056 -13.810 -19.416 1.00 3.23 N ATOM 0 H HIS A 8 -17.392 -9.717 -20.876 1.00 10.24 H new ATOM 0 HA HIS A 8 -20.188 -10.554 -20.567 1.00 13.53 H new ATOM 0 HB2 HIS A 8 -17.972 -9.952 -18.538 1.00 12.20 H new ATOM 0 HB3 HIS A 8 -19.543 -10.619 -18.140 1.00 12.20 H new ATOM 0 HD2 HIS A 8 -16.063 -11.887 -19.041 1.00 72.10 H new ATOM 0 HE1 HIS A 8 -18.696 -15.144 -19.710 1.00 13.34 H new ATOM 0 HE2 HIS A 8 -16.264 -14.447 -19.501 1.00 3.23 H new ATOM 135 N SER A 9 -21.185 -8.540 -19.276 1.00 24.13 N ATOM 136 CA SER A 9 -21.912 -7.303 -18.882 1.00 3.03 C ATOM 137 C SER A 9 -22.545 -7.468 -17.482 1.00 1.04 C ATOM 138 O SER A 9 -22.118 -6.829 -16.511 1.00 34.15 O ATOM 139 CB SER A 9 -22.996 -6.955 -19.937 1.00 12.31 C ATOM 140 OG SER A 9 -23.821 -5.871 -19.521 1.00 43.44 O ATOM 0 H SER A 9 -21.698 -9.396 -19.066 1.00 24.13 H new ATOM 0 HA SER A 9 -21.198 -6.480 -18.838 1.00 3.03 H new ATOM 0 HB2 SER A 9 -22.514 -6.701 -20.881 1.00 12.31 H new ATOM 0 HB3 SER A 9 -23.616 -7.832 -20.121 1.00 12.31 H new ATOM 0 HG SER A 9 -24.557 -6.212 -18.972 1.00 43.44 H new ATOM 146 N HIS A 10 -23.569 -8.340 -17.381 1.00 61.13 N ATOM 147 CA HIS A 10 -24.253 -8.639 -16.102 1.00 72.54 C ATOM 148 C HIS A 10 -23.525 -9.789 -15.358 1.00 11.33 C ATOM 149 O HIS A 10 -23.986 -10.936 -15.336 1.00 51.24 O ATOM 150 CB HIS A 10 -25.750 -8.973 -16.371 1.00 54.50 C ATOM 151 CG HIS A 10 -26.577 -7.800 -16.859 1.00 3.11 C ATOM 152 ND1 HIS A 10 -26.127 -6.894 -17.802 1.00 60.33 N ATOM 153 CD2 HIS A 10 -27.822 -7.379 -16.515 1.00 54.12 C ATOM 154 CE1 HIS A 10 -27.049 -5.977 -18.009 1.00 75.44 C ATOM 155 NE2 HIS A 10 -28.085 -6.246 -17.246 1.00 15.32 N ATOM 0 H HIS A 10 -23.945 -8.855 -18.177 1.00 61.13 H new ATOM 0 HA HIS A 10 -24.218 -7.763 -15.455 1.00 72.54 H new ATOM 0 HB2 HIS A 10 -25.804 -9.772 -17.110 1.00 54.50 H new ATOM 0 HB3 HIS A 10 -26.194 -9.358 -15.453 1.00 54.50 H new ATOM 0 HD2 HIS A 10 -28.482 -7.848 -15.800 1.00 54.12 H new ATOM 0 HE1 HIS A 10 -26.968 -5.144 -18.691 1.00 75.44 H new ATOM 0 HE2 HIS A 10 -28.946 -5.701 -17.204 1.00 15.32 H new ATOM 164 N MET A 11 -22.350 -9.468 -14.787 1.00 2.22 N ATOM 165 CA MET A 11 -21.499 -10.436 -14.059 1.00 45.51 C ATOM 166 C MET A 11 -21.483 -10.116 -12.541 1.00 72.14 C ATOM 167 O MET A 11 -20.681 -9.307 -12.066 1.00 33.43 O ATOM 168 CB MET A 11 -20.060 -10.435 -14.665 1.00 1.42 C ATOM 169 CG MET A 11 -19.062 -11.389 -13.976 1.00 40.21 C ATOM 170 SD MET A 11 -19.579 -13.124 -14.027 1.00 11.54 S ATOM 171 CE MET A 11 -19.440 -13.515 -15.774 1.00 31.50 C ATOM 0 H MET A 11 -21.959 -8.526 -14.816 1.00 2.22 H new ATOM 0 HA MET A 11 -21.914 -11.437 -14.174 1.00 45.51 H new ATOM 0 HB2 MET A 11 -20.126 -10.702 -15.720 1.00 1.42 H new ATOM 0 HB3 MET A 11 -19.663 -9.421 -14.617 1.00 1.42 H new ATOM 0 HG2 MET A 11 -18.088 -11.293 -14.456 1.00 40.21 H new ATOM 0 HG3 MET A 11 -18.937 -11.085 -12.937 1.00 40.21 H new ATOM 0 HE1 MET A 11 -19.591 -14.585 -15.921 1.00 31.50 H new ATOM 0 HE2 MET A 11 -20.196 -12.962 -16.332 1.00 31.50 H new ATOM 0 HE3 MET A 11 -18.449 -13.236 -16.132 1.00 31.50 H new ATOM 181 N ILE A 12 -22.435 -10.714 -11.803 1.00 11.30 N ATOM 182 CA ILE A 12 -22.508 -10.643 -10.319 1.00 42.13 C ATOM 183 C ILE A 12 -22.167 -12.036 -9.733 1.00 74.45 C ATOM 184 O ILE A 12 -22.791 -13.027 -10.133 1.00 72.32 O ATOM 185 CB ILE A 12 -23.949 -10.199 -9.838 1.00 12.23 C ATOM 186 CG1 ILE A 12 -24.335 -8.806 -10.446 1.00 30.14 C ATOM 187 CG2 ILE A 12 -24.058 -10.180 -8.285 1.00 32.32 C ATOM 188 CD1 ILE A 12 -25.748 -8.334 -10.118 1.00 61.42 C ATOM 0 H ILE A 12 -23.186 -11.267 -12.217 1.00 11.30 H new ATOM 0 HA ILE A 12 -21.793 -9.900 -9.967 1.00 42.13 H new ATOM 0 HB ILE A 12 -24.660 -10.940 -10.204 1.00 12.23 H new ATOM 0 HG12 ILE A 12 -23.626 -8.060 -10.088 1.00 30.14 H new ATOM 0 HG13 ILE A 12 -24.226 -8.855 -11.529 1.00 30.14 H new ATOM 0 HG21 ILE A 12 -25.062 -9.870 -7.994 1.00 32.32 H new ATOM 0 HG22 ILE A 12 -23.859 -11.178 -7.894 1.00 32.32 H new ATOM 0 HG23 ILE A 12 -23.330 -9.479 -7.878 1.00 32.32 H new ATOM 0 HD11 ILE A 12 -25.924 -7.363 -10.581 1.00 61.42 H new ATOM 0 HD12 ILE A 12 -26.470 -9.055 -10.501 1.00 61.42 H new ATOM 0 HD13 ILE A 12 -25.861 -8.247 -9.037 1.00 61.42 H new ATOM 200 N LYS A 13 -21.183 -12.090 -8.800 1.00 11.51 N ATOM 201 CA LYS A 13 -20.692 -13.346 -8.181 1.00 33.44 C ATOM 202 C LYS A 13 -20.031 -14.272 -9.239 1.00 3.20 C ATOM 203 O LYS A 13 -20.720 -15.015 -9.948 1.00 65.41 O ATOM 204 CB LYS A 13 -21.835 -14.076 -7.410 1.00 11.03 C ATOM 205 CG LYS A 13 -21.412 -15.357 -6.654 1.00 65.15 C ATOM 206 CD LYS A 13 -22.617 -16.095 -6.023 1.00 4.41 C ATOM 207 CE LYS A 13 -23.383 -15.231 -5.004 1.00 44.31 C ATOM 208 NZ LYS A 13 -24.579 -15.925 -4.474 1.00 34.44 N ATOM 0 H LYS A 13 -20.705 -11.258 -8.454 1.00 11.51 H new ATOM 0 HA LYS A 13 -19.924 -13.084 -7.454 1.00 33.44 H new ATOM 0 HB2 LYS A 13 -22.270 -13.379 -6.694 1.00 11.03 H new ATOM 0 HB3 LYS A 13 -22.621 -14.336 -8.120 1.00 11.03 H new ATOM 0 HG2 LYS A 13 -20.898 -16.028 -7.342 1.00 65.15 H new ATOM 0 HG3 LYS A 13 -20.700 -15.095 -5.872 1.00 65.15 H new ATOM 0 HD2 LYS A 13 -23.300 -16.407 -6.813 1.00 4.41 H new ATOM 0 HD3 LYS A 13 -22.264 -17.001 -5.531 1.00 4.41 H new ATOM 0 HE2 LYS A 13 -22.720 -14.971 -4.179 1.00 44.31 H new ATOM 0 HE3 LYS A 13 -23.686 -14.297 -5.477 1.00 44.31 H new ATOM 0 HZ1 LYS A 13 -25.065 -15.308 -3.792 1.00 34.44 H new ATOM 0 HZ2 LYS A 13 -25.225 -16.151 -5.257 1.00 34.44 H new ATOM 0 HZ3 LYS A 13 -24.289 -16.804 -4.000 1.00 34.44 H new ATOM 222 N ARG A 14 -18.693 -14.191 -9.358 1.00 43.14 N ATOM 223 CA ARG A 14 -17.927 -14.968 -10.361 1.00 23.52 C ATOM 224 C ARG A 14 -17.965 -16.492 -10.051 1.00 33.11 C ATOM 225 O ARG A 14 -18.283 -17.305 -10.929 1.00 41.20 O ATOM 226 CB ARG A 14 -16.463 -14.448 -10.445 1.00 21.45 C ATOM 227 CG ARG A 14 -15.636 -15.044 -11.613 1.00 70.14 C ATOM 228 CD ARG A 14 -14.252 -14.386 -11.770 1.00 62.45 C ATOM 229 NE ARG A 14 -13.516 -14.926 -12.925 1.00 24.24 N ATOM 230 CZ ARG A 14 -12.501 -14.351 -13.530 1.00 24.11 C ATOM 231 NH1 ARG A 14 -12.012 -13.218 -13.130 1.00 41.03 N ATOM 232 NH2 ARG A 14 -11.979 -14.935 -14.548 1.00 71.44 N ATOM 0 H ARG A 14 -18.113 -13.592 -8.770 1.00 43.14 H new ATOM 0 HA ARG A 14 -18.399 -14.825 -11.333 1.00 23.52 H new ATOM 0 HB2 ARG A 14 -16.481 -13.363 -10.546 1.00 21.45 H new ATOM 0 HB3 ARG A 14 -15.957 -14.672 -9.506 1.00 21.45 H new ATOM 0 HG2 ARG A 14 -15.507 -16.114 -11.450 1.00 70.14 H new ATOM 0 HG3 ARG A 14 -16.194 -14.928 -12.542 1.00 70.14 H new ATOM 0 HD2 ARG A 14 -14.373 -13.309 -11.888 1.00 62.45 H new ATOM 0 HD3 ARG A 14 -13.670 -14.544 -10.862 1.00 62.45 H new ATOM 0 HE ARG A 14 -13.822 -15.829 -13.289 1.00 24.24 H new ATOM 0 HH11 ARG A 14 -12.416 -12.745 -12.322 1.00 41.03 H new ATOM 0 HH12 ARG A 14 -11.223 -12.800 -13.624 1.00 41.03 H new ATOM 0 HH21 ARG A 14 -12.353 -15.827 -14.872 1.00 71.44 H new ATOM 0 HH22 ARG A 14 -11.190 -14.507 -15.033 1.00 71.44 H new ATOM 246 N THR A 15 -17.640 -16.866 -8.789 1.00 63.25 N ATOM 247 CA THR A 15 -17.717 -18.278 -8.311 1.00 64.31 C ATOM 248 C THR A 15 -17.988 -18.329 -6.779 1.00 23.30 C ATOM 249 O THR A 15 -19.131 -18.532 -6.351 1.00 44.02 O ATOM 250 CB THR A 15 -16.418 -19.103 -8.664 1.00 15.14 C ATOM 251 OG1 THR A 15 -16.160 -19.052 -10.077 1.00 24.41 O ATOM 252 CG2 THR A 15 -16.520 -20.578 -8.242 1.00 41.22 C ATOM 0 H THR A 15 -17.320 -16.209 -8.077 1.00 63.25 H new ATOM 0 HA THR A 15 -18.551 -18.743 -8.836 1.00 64.31 H new ATOM 0 HB THR A 15 -15.603 -18.642 -8.107 1.00 15.14 H new ATOM 0 HG1 THR A 15 -15.351 -19.566 -10.281 1.00 24.41 H new ATOM 0 HG21 THR A 15 -15.600 -21.097 -8.509 1.00 41.22 H new ATOM 0 HG22 THR A 15 -16.671 -20.638 -7.164 1.00 41.22 H new ATOM 0 HG23 THR A 15 -17.362 -21.045 -8.753 1.00 41.22 H new ATOM 260 N ASN A 16 -16.930 -18.113 -5.965 1.00 63.45 N ATOM 261 CA ASN A 16 -17.008 -18.144 -4.481 1.00 21.14 C ATOM 262 C ASN A 16 -16.158 -16.989 -3.902 1.00 75.55 C ATOM 263 O ASN A 16 -16.686 -16.046 -3.305 1.00 62.44 O ATOM 264 CB ASN A 16 -16.528 -19.529 -3.950 1.00 12.14 C ATOM 265 CG ASN A 16 -16.516 -19.637 -2.420 1.00 72.41 C ATOM 266 OD1 ASN A 16 -17.517 -19.978 -1.806 1.00 32.14 O ATOM 267 ND2 ASN A 16 -15.383 -19.350 -1.796 1.00 11.33 N ATOM 0 H ASN A 16 -15.994 -17.911 -6.317 1.00 63.45 H new ATOM 0 HA ASN A 16 -18.040 -18.007 -4.159 1.00 21.14 H new ATOM 0 HB2 ASN A 16 -17.176 -20.307 -4.354 1.00 12.14 H new ATOM 0 HB3 ASN A 16 -15.524 -19.723 -4.326 1.00 12.14 H new ATOM 0 HD21 ASN A 16 -15.331 -19.411 -0.779 1.00 11.33 H new ATOM 0 HD22 ASN A 16 -14.563 -19.068 -2.332 1.00 11.33 H new ATOM 274 N GLU A 17 -14.832 -17.076 -4.108 1.00 42.22 N ATOM 275 CA GLU A 17 -13.880 -15.999 -3.774 1.00 4.14 C ATOM 276 C GLU A 17 -12.810 -15.893 -4.896 1.00 50.31 C ATOM 277 O GLU A 17 -11.746 -16.522 -4.811 1.00 32.42 O ATOM 278 CB GLU A 17 -13.226 -16.253 -2.384 1.00 54.54 C ATOM 279 CG GLU A 17 -12.275 -15.139 -1.908 1.00 74.12 C ATOM 280 CD GLU A 17 -11.589 -15.466 -0.571 1.00 52.00 C ATOM 281 OE1 GLU A 17 -10.527 -16.121 -0.575 1.00 13.13 O ATOM 282 OE2 GLU A 17 -12.113 -15.073 0.488 1.00 21.04 O ATOM 0 H GLU A 17 -14.387 -17.900 -4.513 1.00 42.22 H new ATOM 0 HA GLU A 17 -14.413 -15.050 -3.710 1.00 4.14 H new ATOM 0 HB2 GLU A 17 -14.016 -16.379 -1.643 1.00 54.54 H new ATOM 0 HB3 GLU A 17 -12.673 -17.192 -2.424 1.00 54.54 H new ATOM 0 HG2 GLU A 17 -11.513 -14.969 -2.669 1.00 74.12 H new ATOM 0 HG3 GLU A 17 -12.835 -14.210 -1.805 1.00 74.12 H new ATOM 289 N PRO A 18 -13.115 -15.159 -6.016 1.00 22.13 N ATOM 290 CA PRO A 18 -12.118 -14.871 -7.082 1.00 24.11 C ATOM 291 C PRO A 18 -10.972 -13.941 -6.613 1.00 44.30 C ATOM 292 O PRO A 18 -11.005 -13.380 -5.506 1.00 55.12 O ATOM 293 CB PRO A 18 -12.972 -14.187 -8.191 1.00 43.11 C ATOM 294 CG PRO A 18 -14.130 -13.593 -7.454 1.00 44.13 C ATOM 295 CD PRO A 18 -14.451 -14.597 -6.365 1.00 62.33 C ATOM 0 HA PRO A 18 -11.607 -15.776 -7.411 1.00 24.11 H new ATOM 0 HB2 PRO A 18 -12.401 -13.422 -8.717 1.00 43.11 H new ATOM 0 HB3 PRO A 18 -13.304 -14.908 -8.938 1.00 43.11 H new ATOM 0 HG2 PRO A 18 -13.874 -12.621 -7.033 1.00 44.13 H new ATOM 0 HG3 PRO A 18 -14.983 -13.440 -8.115 1.00 44.13 H new ATOM 0 HD2 PRO A 18 -14.925 -14.122 -5.506 1.00 62.33 H new ATOM 0 HD3 PRO A 18 -15.133 -15.370 -6.718 1.00 62.33 H new ATOM 303 N LEU A 19 -9.975 -13.775 -7.495 1.00 23.41 N ATOM 304 CA LEU A 19 -8.840 -12.842 -7.296 1.00 14.24 C ATOM 305 C LEU A 19 -9.358 -11.377 -7.244 1.00 25.51 C ATOM 306 O LEU A 19 -8.775 -10.515 -6.585 1.00 70.12 O ATOM 307 CB LEU A 19 -7.790 -13.046 -8.450 1.00 22.31 C ATOM 308 CG LEU A 19 -6.281 -13.061 -8.043 1.00 74.10 C ATOM 309 CD1 LEU A 19 -5.767 -11.672 -7.633 1.00 13.12 C ATOM 310 CD2 LEU A 19 -6.026 -14.099 -6.930 1.00 62.11 C ATOM 0 H LEU A 19 -9.927 -14.286 -8.376 1.00 23.41 H new ATOM 0 HA LEU A 19 -8.349 -13.051 -6.346 1.00 14.24 H new ATOM 0 HB2 LEU A 19 -8.015 -13.988 -8.950 1.00 22.31 H new ATOM 0 HB3 LEU A 19 -7.935 -12.253 -9.184 1.00 22.31 H new ATOM 0 HG LEU A 19 -5.715 -13.354 -8.927 1.00 74.10 H new ATOM 0 HD11 LEU A 19 -4.714 -11.740 -7.360 1.00 13.12 H new ATOM 0 HD12 LEU A 19 -5.882 -10.981 -8.468 1.00 13.12 H new ATOM 0 HD13 LEU A 19 -6.340 -11.309 -6.780 1.00 13.12 H new ATOM 0 HD21 LEU A 19 -4.970 -14.093 -6.662 1.00 62.11 H new ATOM 0 HD22 LEU A 19 -6.624 -13.848 -6.054 1.00 62.11 H new ATOM 0 HD23 LEU A 19 -6.304 -15.091 -7.287 1.00 62.11 H new ATOM 322 N ASP A 20 -10.476 -11.147 -7.949 1.00 3.53 N ATOM 323 CA ASP A 20 -11.218 -9.871 -7.958 1.00 63.32 C ATOM 324 C ASP A 20 -11.750 -9.491 -6.545 1.00 1.40 C ATOM 325 O ASP A 20 -11.735 -8.313 -6.174 1.00 3.22 O ATOM 326 CB ASP A 20 -12.385 -9.977 -8.967 1.00 54.14 C ATOM 327 CG ASP A 20 -11.908 -10.423 -10.362 1.00 52.12 C ATOM 328 OD1 ASP A 20 -11.343 -9.587 -11.108 1.00 0.21 O ATOM 329 OD2 ASP A 20 -12.054 -11.623 -10.698 1.00 33.51 O ATOM 0 H ASP A 20 -10.902 -11.858 -8.544 1.00 3.53 H new ATOM 0 HA ASP A 20 -10.534 -9.077 -8.259 1.00 63.32 H new ATOM 0 HB2 ASP A 20 -13.123 -10.686 -8.593 1.00 54.14 H new ATOM 0 HB3 ASP A 20 -12.883 -9.011 -9.047 1.00 54.14 H new ATOM 334 N LYS A 21 -12.214 -10.499 -5.758 1.00 63.31 N ATOM 335 CA LYS A 21 -12.660 -10.275 -4.353 1.00 12.15 C ATOM 336 C LYS A 21 -11.476 -9.954 -3.426 1.00 34.31 C ATOM 337 O LYS A 21 -11.618 -9.133 -2.517 1.00 40.24 O ATOM 338 CB LYS A 21 -13.459 -11.478 -3.771 1.00 43.31 C ATOM 339 CG LYS A 21 -14.927 -11.560 -4.237 1.00 14.02 C ATOM 340 CD LYS A 21 -15.756 -12.546 -3.384 1.00 64.22 C ATOM 341 CE LYS A 21 -17.220 -12.631 -3.835 1.00 65.22 C ATOM 342 NZ LYS A 21 -18.020 -13.498 -2.939 1.00 5.02 N ATOM 0 H LYS A 21 -12.289 -11.468 -6.068 1.00 63.31 H new ATOM 0 HA LYS A 21 -13.329 -9.416 -4.394 1.00 12.15 H new ATOM 0 HB2 LYS A 21 -12.952 -12.402 -4.048 1.00 43.31 H new ATOM 0 HB3 LYS A 21 -13.440 -11.417 -2.683 1.00 43.31 H new ATOM 0 HG2 LYS A 21 -15.379 -10.569 -4.186 1.00 14.02 H new ATOM 0 HG3 LYS A 21 -14.958 -11.871 -5.281 1.00 14.02 H new ATOM 0 HD2 LYS A 21 -15.305 -13.537 -3.439 1.00 64.22 H new ATOM 0 HD3 LYS A 21 -15.719 -12.237 -2.339 1.00 64.22 H new ATOM 0 HE2 LYS A 21 -17.653 -11.631 -3.856 1.00 65.22 H new ATOM 0 HE3 LYS A 21 -17.265 -13.019 -4.853 1.00 65.22 H new ATOM 0 HZ1 LYS A 21 -19.011 -13.504 -3.256 1.00 5.02 H new ATOM 0 HZ2 LYS A 21 -17.642 -14.467 -2.965 1.00 5.02 H new ATOM 0 HZ3 LYS A 21 -17.970 -13.133 -1.967 1.00 5.02 H new ATOM 356 N LYS A 22 -10.322 -10.618 -3.651 1.00 32.15 N ATOM 357 CA LYS A 22 -9.084 -10.345 -2.884 1.00 61.12 C ATOM 358 C LYS A 22 -8.641 -8.879 -3.091 1.00 63.12 C ATOM 359 O LYS A 22 -8.355 -8.165 -2.129 1.00 65.01 O ATOM 360 CB LYS A 22 -7.933 -11.285 -3.320 1.00 33.31 C ATOM 361 CG LYS A 22 -6.653 -11.140 -2.457 1.00 14.24 C ATOM 362 CD LYS A 22 -5.408 -11.758 -3.119 1.00 43.10 C ATOM 363 CE LYS A 22 -4.202 -11.803 -2.171 1.00 52.43 C ATOM 364 NZ LYS A 22 -4.439 -12.703 -1.019 1.00 61.23 N ATOM 0 H LYS A 22 -10.220 -11.347 -4.357 1.00 32.15 H new ATOM 0 HA LYS A 22 -9.303 -10.523 -1.831 1.00 61.12 H new ATOM 0 HB2 LYS A 22 -8.280 -12.317 -3.271 1.00 33.31 H new ATOM 0 HB3 LYS A 22 -7.684 -11.082 -4.362 1.00 33.31 H new ATOM 0 HG2 LYS A 22 -6.469 -10.083 -2.265 1.00 14.24 H new ATOM 0 HG3 LYS A 22 -6.818 -11.616 -1.490 1.00 14.24 H new ATOM 0 HD2 LYS A 22 -5.642 -12.769 -3.453 1.00 43.10 H new ATOM 0 HD3 LYS A 22 -5.148 -11.181 -4.006 1.00 43.10 H new ATOM 0 HE2 LYS A 22 -3.322 -12.139 -2.719 1.00 52.43 H new ATOM 0 HE3 LYS A 22 -3.987 -10.798 -1.808 1.00 52.43 H new ATOM 0 HZ1 LYS A 22 -3.558 -12.812 -0.477 1.00 61.23 H new ATOM 0 HZ2 LYS A 22 -5.175 -12.296 -0.406 1.00 61.23 H new ATOM 0 HZ3 LYS A 22 -4.751 -13.633 -1.364 1.00 61.23 H new ATOM 378 N ARG A 23 -8.614 -8.457 -4.375 1.00 70.41 N ATOM 379 CA ARG A 23 -8.294 -7.070 -4.777 1.00 25.34 C ATOM 380 C ARG A 23 -9.232 -6.062 -4.098 1.00 14.43 C ATOM 381 O ARG A 23 -8.765 -5.184 -3.390 1.00 51.52 O ATOM 382 CB ARG A 23 -8.362 -6.922 -6.324 1.00 11.23 C ATOM 383 CG ARG A 23 -7.157 -7.549 -7.051 1.00 32.42 C ATOM 384 CD ARG A 23 -7.354 -7.675 -8.569 1.00 51.04 C ATOM 385 NE ARG A 23 -6.150 -8.217 -9.221 1.00 64.52 N ATOM 386 CZ ARG A 23 -6.117 -8.891 -10.348 1.00 12.43 C ATOM 387 NH1 ARG A 23 -7.203 -9.240 -10.967 1.00 51.24 N ATOM 388 NH2 ARG A 23 -4.974 -9.233 -10.840 1.00 63.34 N ATOM 0 H ARG A 23 -8.814 -9.072 -5.164 1.00 70.41 H new ATOM 0 HA ARG A 23 -7.277 -6.853 -4.450 1.00 25.34 H new ATOM 0 HB2 ARG A 23 -9.278 -7.388 -6.686 1.00 11.23 H new ATOM 0 HB3 ARG A 23 -8.420 -5.864 -6.578 1.00 11.23 H new ATOM 0 HG2 ARG A 23 -6.271 -6.945 -6.857 1.00 32.42 H new ATOM 0 HG3 ARG A 23 -6.966 -8.538 -6.634 1.00 32.42 H new ATOM 0 HD2 ARG A 23 -8.205 -8.324 -8.775 1.00 51.04 H new ATOM 0 HD3 ARG A 23 -7.589 -6.697 -8.990 1.00 51.04 H new ATOM 0 HE ARG A 23 -5.258 -8.054 -8.754 1.00 64.52 H new ATOM 0 HH11 ARG A 23 -8.113 -8.991 -10.580 1.00 51.24 H new ATOM 0 HH12 ARG A 23 -7.146 -9.763 -11.841 1.00 51.24 H new ATOM 0 HH21 ARG A 23 -4.113 -8.980 -10.355 1.00 63.34 H new ATOM 0 HH22 ARG A 23 -4.931 -9.757 -11.714 1.00 63.34 H new ATOM 402 N ALA A 24 -10.554 -6.256 -4.267 1.00 3.21 N ATOM 403 CA ALA A 24 -11.594 -5.366 -3.682 1.00 52.11 C ATOM 404 C ALA A 24 -11.463 -5.243 -2.141 1.00 40.22 C ATOM 405 O ALA A 24 -11.677 -4.169 -1.571 1.00 71.32 O ATOM 406 CB ALA A 24 -12.992 -5.887 -4.056 1.00 73.45 C ATOM 0 H ALA A 24 -10.938 -7.030 -4.810 1.00 3.21 H new ATOM 0 HA ALA A 24 -11.448 -4.369 -4.097 1.00 52.11 H new ATOM 0 HB1 ALA A 24 -13.751 -5.233 -3.626 1.00 73.45 H new ATOM 0 HB2 ALA A 24 -13.097 -5.901 -5.141 1.00 73.45 H new ATOM 0 HB3 ALA A 24 -13.120 -6.897 -3.666 1.00 73.45 H new ATOM 412 N ARG A 25 -11.102 -6.368 -1.498 1.00 65.15 N ATOM 413 CA ARG A 25 -10.875 -6.465 -0.036 1.00 3.11 C ATOM 414 C ARG A 25 -9.629 -5.667 0.426 1.00 63.02 C ATOM 415 O ARG A 25 -9.646 -5.045 1.487 1.00 12.33 O ATOM 416 CB ARG A 25 -10.712 -7.955 0.347 1.00 21.53 C ATOM 417 CG ARG A 25 -10.620 -8.255 1.861 1.00 51.13 C ATOM 418 CD ARG A 25 -10.416 -9.759 2.128 1.00 14.12 C ATOM 419 NE ARG A 25 -11.437 -10.575 1.442 1.00 3.15 N ATOM 420 CZ ARG A 25 -11.213 -11.658 0.726 1.00 3.55 C ATOM 421 NH1 ARG A 25 -10.016 -12.125 0.541 1.00 31.24 N ATOM 422 NH2 ARG A 25 -12.210 -12.250 0.171 1.00 42.34 N ATOM 0 H ARG A 25 -10.956 -7.253 -1.984 1.00 65.15 H new ATOM 0 HA ARG A 25 -11.738 -6.028 0.467 1.00 3.11 H new ATOM 0 HB2 ARG A 25 -11.555 -8.510 -0.064 1.00 21.53 H new ATOM 0 HB3 ARG A 25 -9.813 -8.338 -0.135 1.00 21.53 H new ATOM 0 HG2 ARG A 25 -9.794 -7.692 2.295 1.00 51.13 H new ATOM 0 HG3 ARG A 25 -11.530 -7.917 2.356 1.00 51.13 H new ATOM 0 HD2 ARG A 25 -9.423 -10.058 1.791 1.00 14.12 H new ATOM 0 HD3 ARG A 25 -10.459 -9.948 3.201 1.00 14.12 H new ATOM 0 HE ARG A 25 -12.407 -10.272 1.531 1.00 3.15 H new ATOM 0 HH11 ARG A 25 -9.214 -11.651 0.956 1.00 31.24 H new ATOM 0 HH12 ARG A 25 -9.878 -12.966 -0.019 1.00 31.24 H new ATOM 0 HH21 ARG A 25 -13.153 -11.880 0.289 1.00 42.34 H new ATOM 0 HH22 ARG A 25 -12.058 -13.090 -0.387 1.00 42.34 H new ATOM 436 N LEU A 26 -8.545 -5.711 -0.367 1.00 40.41 N ATOM 437 CA LEU A 26 -7.293 -4.978 -0.051 1.00 1.03 C ATOM 438 C LEU A 26 -7.451 -3.456 -0.305 1.00 21.45 C ATOM 439 O LEU A 26 -6.964 -2.638 0.477 1.00 62.42 O ATOM 440 CB LEU A 26 -6.109 -5.538 -0.871 1.00 75.31 C ATOM 441 CG LEU A 26 -5.745 -7.039 -0.656 1.00 44.01 C ATOM 442 CD1 LEU A 26 -4.566 -7.448 -1.552 1.00 42.31 C ATOM 443 CD2 LEU A 26 -5.448 -7.324 0.828 1.00 2.21 C ATOM 0 H LEU A 26 -8.504 -6.246 -1.235 1.00 40.41 H new ATOM 0 HA LEU A 26 -7.084 -5.124 1.009 1.00 1.03 H new ATOM 0 HB2 LEU A 26 -6.330 -5.391 -1.928 1.00 75.31 H new ATOM 0 HB3 LEU A 26 -5.227 -4.940 -0.644 1.00 75.31 H new ATOM 0 HG LEU A 26 -6.605 -7.644 -0.943 1.00 44.01 H new ATOM 0 HD11 LEU A 26 -4.330 -8.499 -1.385 1.00 42.31 H new ATOM 0 HD12 LEU A 26 -4.835 -7.298 -2.598 1.00 42.31 H new ATOM 0 HD13 LEU A 26 -3.696 -6.838 -1.310 1.00 42.31 H new ATOM 0 HD21 LEU A 26 -5.197 -8.377 0.953 1.00 2.21 H new ATOM 0 HD22 LEU A 26 -4.610 -6.709 1.156 1.00 2.21 H new ATOM 0 HD23 LEU A 26 -6.327 -7.087 1.427 1.00 2.21 H new ATOM 455 N ILE A 27 -8.135 -3.106 -1.416 1.00 71.31 N ATOM 456 CA ILE A 27 -8.581 -1.719 -1.709 1.00 1.43 C ATOM 457 C ILE A 27 -9.518 -1.201 -0.572 1.00 51.12 C ATOM 458 O ILE A 27 -9.515 -0.019 -0.227 1.00 11.23 O ATOM 459 CB ILE A 27 -9.331 -1.640 -3.112 1.00 43.52 C ATOM 460 CG1 ILE A 27 -8.458 -2.242 -4.265 1.00 0.12 C ATOM 461 CG2 ILE A 27 -9.746 -0.184 -3.458 1.00 52.20 C ATOM 462 CD1 ILE A 27 -9.158 -2.411 -5.613 1.00 5.54 C ATOM 0 H ILE A 27 -8.396 -3.776 -2.139 1.00 71.31 H new ATOM 0 HA ILE A 27 -7.696 -1.085 -1.760 1.00 1.43 H new ATOM 0 HB ILE A 27 -10.237 -2.239 -3.019 1.00 43.52 H new ATOM 0 HG12 ILE A 27 -7.587 -1.602 -4.407 1.00 0.12 H new ATOM 0 HG13 ILE A 27 -8.089 -3.216 -3.944 1.00 0.12 H new ATOM 0 HG21 ILE A 27 -10.255 -0.170 -4.422 1.00 52.20 H new ATOM 0 HG22 ILE A 27 -10.417 0.196 -2.688 1.00 52.20 H new ATOM 0 HG23 ILE A 27 -8.858 0.446 -3.508 1.00 52.20 H new ATOM 0 HD11 ILE A 27 -8.460 -2.835 -6.335 1.00 5.54 H new ATOM 0 HD12 ILE A 27 -10.012 -3.079 -5.498 1.00 5.54 H new ATOM 0 HD13 ILE A 27 -9.502 -1.440 -5.968 1.00 5.54 H new ATOM 474 N TYR A 28 -10.319 -2.114 0.005 1.00 73.14 N ATOM 475 CA TYR A 28 -11.168 -1.834 1.190 1.00 3.00 C ATOM 476 C TYR A 28 -10.312 -1.601 2.465 1.00 15.14 C ATOM 477 O TYR A 28 -10.619 -0.719 3.267 1.00 74.05 O ATOM 478 CB TYR A 28 -12.172 -3.005 1.386 1.00 32.13 C ATOM 479 CG TYR A 28 -12.978 -2.989 2.693 1.00 51.04 C ATOM 480 CD1 TYR A 28 -13.924 -1.991 2.953 1.00 40.15 C ATOM 481 CD2 TYR A 28 -12.774 -3.963 3.679 1.00 53.51 C ATOM 482 CE1 TYR A 28 -14.643 -1.979 4.136 1.00 50.11 C ATOM 483 CE2 TYR A 28 -13.490 -3.949 4.859 1.00 3.21 C ATOM 484 CZ TYR A 28 -14.415 -2.955 5.086 1.00 65.10 C ATOM 485 OH TYR A 28 -15.120 -2.942 6.268 1.00 24.44 O ATOM 0 H TYR A 28 -10.400 -3.072 -0.334 1.00 73.14 H new ATOM 0 HA TYR A 28 -11.724 -0.912 1.017 1.00 3.00 H new ATOM 0 HB2 TYR A 28 -12.872 -3.001 0.551 1.00 32.13 H new ATOM 0 HB3 TYR A 28 -11.620 -3.943 1.334 1.00 32.13 H new ATOM 0 HD1 TYR A 28 -14.096 -1.218 2.219 1.00 40.15 H new ATOM 0 HD2 TYR A 28 -12.042 -4.740 3.513 1.00 53.51 H new ATOM 0 HE1 TYR A 28 -15.379 -1.209 4.315 1.00 50.11 H new ATOM 0 HE2 TYR A 28 -13.325 -4.715 5.602 1.00 3.21 H new ATOM 0 HH TYR A 28 -14.839 -3.698 6.825 1.00 24.44 H new ATOM 495 N GLN A 29 -9.234 -2.389 2.633 1.00 34.34 N ATOM 496 CA GLN A 29 -8.315 -2.274 3.799 1.00 52.51 C ATOM 497 C GLN A 29 -7.319 -1.092 3.652 1.00 54.25 C ATOM 498 O GLN A 29 -6.593 -0.780 4.594 1.00 15.11 O ATOM 499 CB GLN A 29 -7.552 -3.605 4.014 1.00 63.13 C ATOM 500 CG GLN A 29 -8.433 -4.806 4.406 1.00 52.34 C ATOM 501 CD GLN A 29 -7.649 -6.121 4.464 1.00 14.41 C ATOM 502 OE1 GLN A 29 -7.560 -6.815 3.345 1.00 23.12 O flip ATOM 503 NE2 GLN A 29 -7.118 -6.502 5.502 1.00 21.31 N flip ATOM 0 H GLN A 29 -8.970 -3.121 1.974 1.00 34.34 H new ATOM 0 HA GLN A 29 -8.928 -2.066 4.676 1.00 52.51 H new ATOM 0 HB2 GLN A 29 -7.016 -3.851 3.097 1.00 63.13 H new ATOM 0 HB3 GLN A 29 -6.802 -3.455 4.791 1.00 63.13 H new ATOM 0 HG2 GLN A 29 -8.888 -4.616 5.378 1.00 52.34 H new ATOM 0 HG3 GLN A 29 -9.247 -4.904 3.687 1.00 52.34 H new ATOM 0 HE21 GLN A 29 -7.203 -5.945 6.352 1.00 21.31 H new ATOM 0 HE22 GLN A 29 -6.591 -7.375 5.515 1.00 21.31 H new ATOM 512 N SER A 30 -7.258 -0.475 2.454 1.00 50.11 N ATOM 513 CA SER A 30 -6.553 0.818 2.240 1.00 24.32 C ATOM 514 C SER A 30 -7.506 2.001 2.504 1.00 23.22 C ATOM 515 O SER A 30 -7.078 3.065 2.963 1.00 54.15 O ATOM 516 CB SER A 30 -5.975 0.905 0.811 1.00 64.41 C ATOM 517 OG SER A 30 -6.980 0.859 -0.184 1.00 5.40 O ATOM 0 H SER A 30 -7.691 -0.851 1.610 1.00 50.11 H new ATOM 0 HA SER A 30 -5.724 0.870 2.946 1.00 24.32 H new ATOM 0 HB2 SER A 30 -5.408 1.830 0.708 1.00 64.41 H new ATOM 0 HB3 SER A 30 -5.276 0.084 0.655 1.00 64.41 H new ATOM 0 HG SER A 30 -7.815 0.531 0.210 1.00 5.40 H new ATOM 523 N ARG A 31 -8.808 1.780 2.199 1.00 45.54 N ATOM 524 CA ARG A 31 -9.910 2.706 2.556 1.00 13.51 C ATOM 525 C ARG A 31 -10.269 2.592 4.063 1.00 23.54 C ATOM 526 O ARG A 31 -11.067 3.375 4.577 1.00 15.44 O ATOM 527 CB ARG A 31 -11.157 2.428 1.667 1.00 52.13 C ATOM 528 CG ARG A 31 -11.019 2.914 0.203 1.00 64.41 C ATOM 529 CD ARG A 31 -12.202 2.482 -0.688 1.00 61.24 C ATOM 530 NE ARG A 31 -12.198 1.028 -0.948 1.00 13.51 N ATOM 531 CZ ARG A 31 -13.244 0.289 -1.248 1.00 5.24 C ATOM 532 NH1 ARG A 31 -14.440 0.785 -1.272 1.00 21.12 N ATOM 533 NH2 ARG A 31 -13.074 -0.964 -1.503 1.00 13.32 N ATOM 0 H ARG A 31 -9.124 0.951 1.696 1.00 45.54 H new ATOM 0 HA ARG A 31 -9.573 3.726 2.372 1.00 13.51 H new ATOM 0 HB2 ARG A 31 -11.355 1.356 1.664 1.00 52.13 H new ATOM 0 HB3 ARG A 31 -12.024 2.911 2.117 1.00 52.13 H new ATOM 0 HG2 ARG A 31 -10.941 4.001 0.192 1.00 64.41 H new ATOM 0 HG3 ARG A 31 -10.092 2.524 -0.218 1.00 64.41 H new ATOM 0 HD2 ARG A 31 -13.139 2.761 -0.207 1.00 61.24 H new ATOM 0 HD3 ARG A 31 -12.158 3.020 -1.635 1.00 61.24 H new ATOM 0 HE ARG A 31 -11.298 0.551 -0.889 1.00 13.51 H new ATOM 0 HH11 ARG A 31 -14.588 1.771 -1.055 1.00 21.12 H new ATOM 0 HH12 ARG A 31 -15.234 0.190 -1.508 1.00 21.12 H new ATOM 0 HH21 ARG A 31 -12.138 -1.369 -1.470 1.00 13.32 H new ATOM 0 HH22 ARG A 31 -13.875 -1.550 -1.737 1.00 13.32 H new ATOM 547 N LYS A 32 -9.711 1.574 4.746 1.00 71.34 N ATOM 548 CA LYS A 32 -9.593 1.561 6.216 1.00 53.52 C ATOM 549 C LYS A 32 -8.159 1.999 6.588 1.00 70.12 C ATOM 550 O LYS A 32 -7.197 1.299 6.261 1.00 21.04 O ATOM 551 CB LYS A 32 -9.873 0.149 6.792 1.00 42.30 C ATOM 552 CG LYS A 32 -11.296 -0.383 6.522 1.00 74.22 C ATOM 553 CD LYS A 32 -11.610 -1.658 7.333 1.00 51.41 C ATOM 554 CE LYS A 32 -10.647 -2.825 7.030 1.00 60.53 C ATOM 555 NZ LYS A 32 -10.958 -4.031 7.837 1.00 41.20 N ATOM 0 H LYS A 32 -9.331 0.741 4.296 1.00 71.34 H new ATOM 0 HA LYS A 32 -10.330 2.243 6.640 1.00 53.52 H new ATOM 0 HB2 LYS A 32 -9.151 -0.551 6.371 1.00 42.30 H new ATOM 0 HB3 LYS A 32 -9.705 0.170 7.869 1.00 42.30 H new ATOM 0 HG2 LYS A 32 -12.023 0.390 6.769 1.00 74.22 H new ATOM 0 HG3 LYS A 32 -11.406 -0.596 5.459 1.00 74.22 H new ATOM 0 HD2 LYS A 32 -11.564 -1.425 8.397 1.00 51.41 H new ATOM 0 HD3 LYS A 32 -12.631 -1.974 7.120 1.00 51.41 H new ATOM 0 HE2 LYS A 32 -10.703 -3.074 5.970 1.00 60.53 H new ATOM 0 HE3 LYS A 32 -9.623 -2.510 7.230 1.00 60.53 H new ATOM 0 HZ1 LYS A 32 -10.287 -4.789 7.601 1.00 41.20 H new ATOM 0 HZ2 LYS A 32 -10.880 -3.802 8.848 1.00 41.20 H new ATOM 0 HZ3 LYS A 32 -11.926 -4.348 7.628 1.00 41.20 H new ATOM 569 N ARG A 33 -8.014 3.137 7.277 1.00 71.15 N ATOM 570 CA ARG A 33 -6.686 3.680 7.655 1.00 23.35 C ATOM 571 C ARG A 33 -6.797 4.506 8.963 1.00 74.10 C ATOM 572 O ARG A 33 -7.904 4.704 9.489 1.00 35.54 O ATOM 573 CB ARG A 33 -6.122 4.558 6.481 1.00 34.24 C ATOM 574 CG ARG A 33 -4.573 4.618 6.375 1.00 10.30 C ATOM 575 CD ARG A 33 -3.964 3.558 5.417 1.00 24.11 C ATOM 576 NE ARG A 33 -4.484 2.194 5.645 1.00 30.13 N ATOM 577 CZ ARG A 33 -3.792 1.148 6.063 1.00 34.54 C ATOM 578 NH1 ARG A 33 -2.533 1.231 6.372 1.00 45.12 N ATOM 579 NH2 ARG A 33 -4.389 0.017 6.184 1.00 4.42 N ATOM 0 H ARG A 33 -8.799 3.709 7.590 1.00 71.15 H new ATOM 0 HA ARG A 33 -5.996 2.856 7.835 1.00 23.35 H new ATOM 0 HB2 ARG A 33 -6.518 4.175 5.541 1.00 34.24 H new ATOM 0 HB3 ARG A 33 -6.501 5.574 6.596 1.00 34.24 H new ATOM 0 HG2 ARG A 33 -4.281 5.611 6.034 1.00 10.30 H new ATOM 0 HG3 ARG A 33 -4.146 4.483 7.369 1.00 10.30 H new ATOM 0 HD2 ARG A 33 -4.169 3.850 4.387 1.00 24.11 H new ATOM 0 HD3 ARG A 33 -2.881 3.551 5.537 1.00 24.11 H new ATOM 0 HE ARG A 33 -5.476 2.044 5.462 1.00 30.13 H new ATOM 0 HH11 ARG A 33 -2.047 2.124 6.295 1.00 45.12 H new ATOM 0 HH12 ARG A 33 -2.031 0.403 6.691 1.00 45.12 H new ATOM 0 HH21 ARG A 33 -5.381 -0.063 5.959 1.00 4.42 H new ATOM 0 HH22 ARG A 33 -3.871 -0.801 6.505 1.00 4.42 H new ATOM 593 N GLY A 34 -5.647 4.952 9.510 1.00 41.44 N ATOM 594 CA GLY A 34 -5.640 5.929 10.613 1.00 70.23 C ATOM 595 C GLY A 34 -5.875 7.360 10.116 1.00 64.04 C ATOM 596 O GLY A 34 -6.876 7.993 10.470 1.00 1.20 O ATOM 0 H GLY A 34 -4.720 4.653 9.207 1.00 41.44 H new ATOM 0 HA2 GLY A 34 -6.412 5.665 11.336 1.00 70.23 H new ATOM 0 HA3 GLY A 34 -4.684 5.879 11.135 1.00 70.23 H new ATOM 600 N ILE A 35 -4.941 7.863 9.284 1.00 13.24 N ATOM 601 CA ILE A 35 -5.059 9.199 8.644 1.00 24.21 C ATOM 602 C ILE A 35 -5.568 9.103 7.185 1.00 42.23 C ATOM 603 O ILE A 35 -5.363 8.090 6.502 1.00 74.31 O ATOM 604 CB ILE A 35 -3.690 9.972 8.658 1.00 52.14 C ATOM 605 CG1 ILE A 35 -2.607 9.217 7.818 1.00 65.55 C ATOM 606 CG2 ILE A 35 -3.223 10.198 10.113 1.00 33.02 C ATOM 607 CD1 ILE A 35 -1.276 9.926 7.690 1.00 65.53 C ATOM 0 H ILE A 35 -4.088 7.363 9.035 1.00 13.24 H new ATOM 0 HA ILE A 35 -5.790 9.751 9.235 1.00 24.21 H new ATOM 0 HB ILE A 35 -3.836 10.946 8.192 1.00 52.14 H new ATOM 0 HG12 ILE A 35 -2.437 8.240 8.270 1.00 65.55 H new ATOM 0 HG13 ILE A 35 -3.004 9.041 6.818 1.00 65.55 H new ATOM 0 HG21 ILE A 35 -2.274 10.734 10.111 1.00 33.02 H new ATOM 0 HG22 ILE A 35 -3.970 10.784 10.648 1.00 33.02 H new ATOM 0 HG23 ILE A 35 -3.095 9.235 10.608 1.00 33.02 H new ATOM 0 HD11 ILE A 35 -0.597 9.320 7.090 1.00 65.53 H new ATOM 0 HD12 ILE A 35 -1.423 10.892 7.207 1.00 65.53 H new ATOM 0 HD13 ILE A 35 -0.848 10.078 8.681 1.00 65.53 H new ATOM 619 N LEU A 36 -6.221 10.187 6.722 1.00 51.24 N ATOM 620 CA LEU A 36 -6.752 10.301 5.343 1.00 74.42 C ATOM 621 C LEU A 36 -5.632 10.526 4.292 1.00 54.03 C ATOM 622 O LEU A 36 -5.816 10.199 3.114 1.00 22.31 O ATOM 623 CB LEU A 36 -7.839 11.417 5.251 1.00 2.35 C ATOM 624 CG LEU A 36 -9.220 11.125 5.934 1.00 33.53 C ATOM 625 CD1 LEU A 36 -9.837 9.809 5.414 1.00 33.13 C ATOM 626 CD2 LEU A 36 -9.125 11.149 7.476 1.00 73.22 C ATOM 0 H LEU A 36 -6.397 11.013 7.294 1.00 51.24 H new ATOM 0 HA LEU A 36 -7.220 9.345 5.106 1.00 74.42 H new ATOM 0 HB2 LEU A 36 -7.429 12.326 5.691 1.00 2.35 H new ATOM 0 HB3 LEU A 36 -8.020 11.627 4.197 1.00 2.35 H new ATOM 0 HG LEU A 36 -9.894 11.934 5.654 1.00 33.53 H new ATOM 0 HD11 LEU A 36 -10.793 9.636 5.907 1.00 33.13 H new ATOM 0 HD12 LEU A 36 -9.992 9.880 4.337 1.00 33.13 H new ATOM 0 HD13 LEU A 36 -9.162 8.981 5.630 1.00 33.13 H new ATOM 0 HD21 LEU A 36 -10.106 10.942 7.904 1.00 73.22 H new ATOM 0 HD22 LEU A 36 -8.416 10.391 7.809 1.00 73.22 H new ATOM 0 HD23 LEU A 36 -8.786 12.132 7.804 1.00 73.22 H new ATOM 638 N GLU A 37 -4.480 11.086 4.721 1.00 21.01 N ATOM 639 CA GLU A 37 -3.305 11.295 3.829 1.00 50.25 C ATOM 640 C GLU A 37 -2.786 9.962 3.226 1.00 25.20 C ATOM 641 O GLU A 37 -2.646 9.829 2.003 1.00 64.44 O ATOM 642 CB GLU A 37 -2.166 12.035 4.596 1.00 2.31 C ATOM 643 CG GLU A 37 -2.425 13.533 4.865 1.00 75.15 C ATOM 644 CD GLU A 37 -2.514 14.367 3.568 1.00 30.44 C ATOM 645 OE1 GLU A 37 -1.459 14.719 2.997 1.00 10.41 O ATOM 646 OE2 GLU A 37 -3.637 14.655 3.102 1.00 11.32 O ATOM 0 H GLU A 37 -4.333 11.404 5.679 1.00 21.01 H new ATOM 0 HA GLU A 37 -3.632 11.917 2.996 1.00 50.25 H new ATOM 0 HB2 GLU A 37 -2.005 11.533 5.550 1.00 2.31 H new ATOM 0 HB3 GLU A 37 -1.242 11.938 4.025 1.00 2.31 H new ATOM 0 HG2 GLU A 37 -3.353 13.642 5.426 1.00 75.15 H new ATOM 0 HG3 GLU A 37 -1.626 13.928 5.492 1.00 75.15 H new ATOM 653 N THR A 38 -2.511 8.983 4.102 1.00 1.24 N ATOM 654 CA THR A 38 -2.070 7.630 3.685 1.00 62.11 C ATOM 655 C THR A 38 -3.236 6.809 3.092 1.00 52.32 C ATOM 656 O THR A 38 -3.013 5.930 2.259 1.00 71.24 O ATOM 657 CB THR A 38 -1.430 6.843 4.868 1.00 63.12 C ATOM 658 OG1 THR A 38 -0.475 7.678 5.522 1.00 45.31 O ATOM 659 CG2 THR A 38 -0.734 5.552 4.394 1.00 24.14 C ATOM 0 H THR A 38 -2.585 9.099 5.113 1.00 1.24 H new ATOM 0 HA THR A 38 -1.315 7.776 2.913 1.00 62.11 H new ATOM 0 HB THR A 38 -2.229 6.559 5.553 1.00 63.12 H new ATOM 0 HG1 THR A 38 0.179 7.120 5.993 1.00 45.31 H new ATOM 0 HG21 THR A 38 -0.302 5.036 5.251 1.00 24.14 H new ATOM 0 HG22 THR A 38 -1.463 4.903 3.909 1.00 24.14 H new ATOM 0 HG23 THR A 38 0.056 5.803 3.686 1.00 24.14 H new ATOM 667 N ASP A 39 -4.469 7.081 3.570 1.00 73.50 N ATOM 668 CA ASP A 39 -5.700 6.422 3.068 1.00 32.45 C ATOM 669 C ASP A 39 -5.829 6.583 1.534 1.00 23.42 C ATOM 670 O ASP A 39 -5.898 5.600 0.811 1.00 51.21 O ATOM 671 CB ASP A 39 -6.940 7.022 3.777 1.00 2.14 C ATOM 672 CG ASP A 39 -8.235 6.228 3.532 1.00 3.00 C ATOM 673 OD1 ASP A 39 -8.875 6.414 2.470 1.00 12.33 O ATOM 674 OD2 ASP A 39 -8.626 5.432 4.417 1.00 63.30 O ATOM 0 H ASP A 39 -4.642 7.760 4.311 1.00 73.50 H new ATOM 0 HA ASP A 39 -5.638 5.357 3.290 1.00 32.45 H new ATOM 0 HB2 ASP A 39 -6.749 7.067 4.849 1.00 2.14 H new ATOM 0 HB3 ASP A 39 -7.082 8.047 3.436 1.00 2.14 H new ATOM 679 N LEU A 40 -5.807 7.845 1.065 1.00 14.34 N ATOM 680 CA LEU A 40 -5.933 8.188 -0.373 1.00 41.42 C ATOM 681 C LEU A 40 -4.670 7.790 -1.181 1.00 3.43 C ATOM 682 O LEU A 40 -4.766 7.472 -2.376 1.00 31.45 O ATOM 683 CB LEU A 40 -6.221 9.707 -0.525 1.00 31.11 C ATOM 684 CG LEU A 40 -7.519 10.228 0.177 1.00 52.10 C ATOM 685 CD1 LEU A 40 -7.697 11.747 -0.031 1.00 41.11 C ATOM 686 CD2 LEU A 40 -8.768 9.439 -0.289 1.00 40.45 C ATOM 0 H LEU A 40 -5.701 8.660 1.670 1.00 14.34 H new ATOM 0 HA LEU A 40 -6.766 7.616 -0.782 1.00 41.42 H new ATOM 0 HB2 LEU A 40 -5.369 10.260 -0.129 1.00 31.11 H new ATOM 0 HB3 LEU A 40 -6.287 9.941 -1.588 1.00 31.11 H new ATOM 0 HG LEU A 40 -7.407 10.056 1.248 1.00 52.10 H new ATOM 0 HD11 LEU A 40 -8.607 12.078 0.468 1.00 41.11 H new ATOM 0 HD12 LEU A 40 -6.840 12.275 0.388 1.00 41.11 H new ATOM 0 HD13 LEU A 40 -7.769 11.962 -1.097 1.00 41.11 H new ATOM 0 HD21 LEU A 40 -9.652 9.826 0.217 1.00 40.45 H new ATOM 0 HD22 LEU A 40 -8.888 9.552 -1.366 1.00 40.45 H new ATOM 0 HD23 LEU A 40 -8.643 8.384 -0.046 1.00 40.45 H new ATOM 698 N LEU A 41 -3.491 7.819 -0.519 1.00 2.25 N ATOM 699 CA LEU A 41 -2.210 7.358 -1.117 1.00 21.32 C ATOM 700 C LEU A 41 -2.289 5.855 -1.499 1.00 60.21 C ATOM 701 O LEU A 41 -2.022 5.476 -2.640 1.00 24.01 O ATOM 702 CB LEU A 41 -1.035 7.598 -0.122 1.00 62.24 C ATOM 703 CG LEU A 41 0.405 7.258 -0.644 1.00 0.42 C ATOM 704 CD1 LEU A 41 0.787 8.105 -1.884 1.00 12.11 C ATOM 705 CD2 LEU A 41 1.450 7.410 0.486 1.00 14.12 C ATOM 0 H LEU A 41 -3.397 8.159 0.438 1.00 2.25 H new ATOM 0 HA LEU A 41 -2.029 7.934 -2.025 1.00 21.32 H new ATOM 0 HB2 LEU A 41 -1.051 8.646 0.178 1.00 62.24 H new ATOM 0 HB3 LEU A 41 -1.221 7.007 0.775 1.00 62.24 H new ATOM 0 HG LEU A 41 0.400 6.216 -0.962 1.00 0.42 H new ATOM 0 HD11 LEU A 41 1.791 7.837 -2.212 1.00 12.11 H new ATOM 0 HD12 LEU A 41 0.078 7.911 -2.689 1.00 12.11 H new ATOM 0 HD13 LEU A 41 0.760 9.163 -1.624 1.00 12.11 H new ATOM 0 HD21 LEU A 41 2.441 7.169 0.100 1.00 14.12 H new ATOM 0 HD22 LEU A 41 1.443 8.437 0.852 1.00 14.12 H new ATOM 0 HD23 LEU A 41 1.204 6.732 1.303 1.00 14.12 H new ATOM 717 N LEU A 42 -2.698 5.022 -0.531 1.00 53.41 N ATOM 718 CA LEU A 42 -2.819 3.561 -0.713 1.00 72.54 C ATOM 719 C LEU A 42 -4.055 3.175 -1.554 1.00 31.51 C ATOM 720 O LEU A 42 -3.982 2.229 -2.318 1.00 34.44 O ATOM 721 CB LEU A 42 -2.852 2.837 0.661 1.00 70.43 C ATOM 722 CG LEU A 42 -1.518 2.859 1.471 1.00 44.54 C ATOM 723 CD1 LEU A 42 -1.659 2.105 2.810 1.00 72.33 C ATOM 724 CD2 LEU A 42 -0.347 2.297 0.630 1.00 61.21 C ATOM 0 H LEU A 42 -2.956 5.339 0.404 1.00 53.41 H new ATOM 0 HA LEU A 42 -1.937 3.236 -1.265 1.00 72.54 H new ATOM 0 HB2 LEU A 42 -3.633 3.290 1.271 1.00 70.43 H new ATOM 0 HB3 LEU A 42 -3.139 1.798 0.497 1.00 70.43 H new ATOM 0 HG LEU A 42 -1.291 3.899 1.705 1.00 44.54 H new ATOM 0 HD11 LEU A 42 -0.712 2.140 3.349 1.00 72.33 H new ATOM 0 HD12 LEU A 42 -2.436 2.575 3.412 1.00 72.33 H new ATOM 0 HD13 LEU A 42 -1.928 1.067 2.616 1.00 72.33 H new ATOM 0 HD21 LEU A 42 0.570 2.324 1.219 1.00 61.21 H new ATOM 0 HD22 LEU A 42 -0.565 1.268 0.345 1.00 61.21 H new ATOM 0 HD23 LEU A 42 -0.220 2.903 -0.267 1.00 61.21 H new ATOM 736 N SER A 43 -5.173 3.915 -1.413 1.00 24.02 N ATOM 737 CA SER A 43 -6.454 3.609 -2.131 1.00 24.11 C ATOM 738 C SER A 43 -6.386 3.956 -3.635 1.00 1.34 C ATOM 739 O SER A 43 -6.971 3.248 -4.465 1.00 40.53 O ATOM 740 CB SER A 43 -7.648 4.333 -1.469 1.00 4.33 C ATOM 741 OG SER A 43 -7.883 3.835 -0.163 1.00 45.42 O ATOM 0 H SER A 43 -5.227 4.735 -0.809 1.00 24.02 H new ATOM 0 HA SER A 43 -6.604 2.532 -2.051 1.00 24.11 H new ATOM 0 HB2 SER A 43 -7.449 5.404 -1.423 1.00 4.33 H new ATOM 0 HB3 SER A 43 -8.542 4.201 -2.079 1.00 4.33 H new ATOM 0 HG SER A 43 -7.302 4.301 0.474 1.00 45.42 H new ATOM 747 N GLY A 44 -5.675 5.050 -3.975 1.00 24.52 N ATOM 748 CA GLY A 44 -5.371 5.384 -5.382 1.00 63.02 C ATOM 749 C GLY A 44 -4.386 4.386 -6.011 1.00 51.22 C ATOM 750 O GLY A 44 -4.534 3.976 -7.171 1.00 35.24 O ATOM 0 H GLY A 44 -5.302 5.715 -3.298 1.00 24.52 H new ATOM 0 HA2 GLY A 44 -6.295 5.394 -5.960 1.00 63.02 H new ATOM 0 HA3 GLY A 44 -4.952 6.389 -5.434 1.00 63.02 H new ATOM 754 N PHE A 45 -3.370 4.005 -5.204 1.00 60.32 N ATOM 755 CA PHE A 45 -2.397 2.932 -5.532 1.00 21.41 C ATOM 756 C PHE A 45 -3.121 1.581 -5.707 1.00 14.23 C ATOM 757 O PHE A 45 -2.747 0.760 -6.541 1.00 10.11 O ATOM 758 CB PHE A 45 -1.340 2.850 -4.391 1.00 41.53 C ATOM 759 CG PHE A 45 -0.233 1.807 -4.571 1.00 73.33 C ATOM 760 CD1 PHE A 45 0.950 2.123 -5.234 1.00 31.04 C ATOM 761 CD2 PHE A 45 -0.367 0.515 -4.059 1.00 42.34 C ATOM 762 CE1 PHE A 45 1.952 1.183 -5.385 1.00 40.33 C ATOM 763 CE2 PHE A 45 0.636 -0.422 -4.216 1.00 45.43 C ATOM 764 CZ PHE A 45 1.797 -0.086 -4.874 1.00 53.42 C ATOM 0 H PHE A 45 -3.199 4.437 -4.296 1.00 60.32 H new ATOM 0 HA PHE A 45 -1.898 3.163 -6.473 1.00 21.41 H new ATOM 0 HB2 PHE A 45 -0.874 3.830 -4.284 1.00 41.53 H new ATOM 0 HB3 PHE A 45 -1.860 2.640 -3.456 1.00 41.53 H new ATOM 0 HD1 PHE A 45 1.086 3.116 -5.636 1.00 31.04 H new ATOM 0 HD2 PHE A 45 -1.270 0.244 -3.532 1.00 42.34 H new ATOM 0 HE1 PHE A 45 2.861 1.445 -5.906 1.00 40.33 H new ATOM 0 HE2 PHE A 45 0.509 -1.419 -3.822 1.00 45.43 H new ATOM 0 HZ PHE A 45 2.585 -0.816 -4.989 1.00 53.42 H new ATOM 774 N ALA A 46 -4.176 1.387 -4.910 1.00 41.34 N ATOM 775 CA ALA A 46 -4.956 0.146 -4.887 1.00 52.22 C ATOM 776 C ALA A 46 -5.858 -0.007 -6.124 1.00 31.21 C ATOM 777 O ALA A 46 -6.009 -1.106 -6.664 1.00 62.43 O ATOM 778 CB ALA A 46 -5.765 0.063 -3.590 1.00 75.42 C ATOM 0 H ALA A 46 -4.516 2.093 -4.257 1.00 41.34 H new ATOM 0 HA ALA A 46 -4.255 -0.688 -4.920 1.00 52.22 H new ATOM 0 HB1 ALA A 46 -6.342 -0.862 -3.580 1.00 75.42 H new ATOM 0 HB2 ALA A 46 -5.087 0.077 -2.737 1.00 75.42 H new ATOM 0 HB3 ALA A 46 -6.443 0.914 -3.529 1.00 75.42 H new ATOM 784 N ALA A 47 -6.446 1.109 -6.564 1.00 43.22 N ATOM 785 CA ALA A 47 -7.275 1.154 -7.789 1.00 41.43 C ATOM 786 C ALA A 47 -6.442 0.878 -9.070 1.00 34.23 C ATOM 787 O ALA A 47 -6.918 0.235 -10.015 1.00 54.41 O ATOM 788 CB ALA A 47 -7.962 2.524 -7.878 1.00 4.34 C ATOM 0 H ALA A 47 -6.366 2.008 -6.089 1.00 43.22 H new ATOM 0 HA ALA A 47 -8.024 0.365 -7.725 1.00 41.43 H new ATOM 0 HB1 ALA A 47 -8.575 2.566 -8.778 1.00 4.34 H new ATOM 0 HB2 ALA A 47 -8.593 2.672 -7.002 1.00 4.34 H new ATOM 0 HB3 ALA A 47 -7.206 3.308 -7.917 1.00 4.34 H new ATOM 794 N LYS A 48 -5.186 1.361 -9.074 1.00 32.05 N ATOM 795 CA LYS A 48 -4.294 1.306 -10.254 1.00 15.43 C ATOM 796 C LYS A 48 -3.461 -0.011 -10.323 1.00 54.54 C ATOM 797 O LYS A 48 -3.511 -0.740 -11.318 1.00 3.45 O ATOM 798 CB LYS A 48 -3.347 2.537 -10.214 1.00 32.13 C ATOM 799 CG LYS A 48 -2.410 2.682 -11.440 1.00 60.12 C ATOM 800 CD LYS A 48 -1.384 3.830 -11.276 1.00 5.12 C ATOM 801 CE LYS A 48 -2.030 5.220 -11.195 1.00 40.13 C ATOM 802 NZ LYS A 48 -2.686 5.612 -12.468 1.00 44.12 N ATOM 0 H LYS A 48 -4.758 1.801 -8.260 1.00 32.05 H new ATOM 0 HA LYS A 48 -4.916 1.323 -11.149 1.00 15.43 H new ATOM 0 HB2 LYS A 48 -3.952 3.440 -10.129 1.00 32.13 H new ATOM 0 HB3 LYS A 48 -2.736 2.477 -9.313 1.00 32.13 H new ATOM 0 HG2 LYS A 48 -1.877 1.744 -11.598 1.00 60.12 H new ATOM 0 HG3 LYS A 48 -3.010 2.862 -12.332 1.00 60.12 H new ATOM 0 HD2 LYS A 48 -0.798 3.657 -10.373 1.00 5.12 H new ATOM 0 HD3 LYS A 48 -0.689 3.809 -12.116 1.00 5.12 H new ATOM 0 HE2 LYS A 48 -2.766 5.230 -10.391 1.00 40.13 H new ATOM 0 HE3 LYS A 48 -1.269 5.957 -10.939 1.00 40.13 H new ATOM 0 HZ1 LYS A 48 -3.436 6.305 -12.273 1.00 44.12 H new ATOM 0 HZ2 LYS A 48 -1.982 6.035 -13.106 1.00 44.12 H new ATOM 0 HZ3 LYS A 48 -3.100 4.771 -12.918 1.00 44.12 H new ATOM 816 N TYR A 49 -2.714 -0.302 -9.244 1.00 20.20 N ATOM 817 CA TYR A 49 -1.690 -1.378 -9.223 1.00 43.14 C ATOM 818 C TYR A 49 -2.291 -2.785 -9.012 1.00 1.20 C ATOM 819 O TYR A 49 -1.959 -3.702 -9.769 1.00 3.14 O ATOM 820 CB TYR A 49 -0.613 -1.092 -8.137 1.00 2.34 C ATOM 821 CG TYR A 49 0.404 -0.003 -8.514 1.00 35.23 C ATOM 822 CD1 TYR A 49 0.037 1.341 -8.586 1.00 55.21 C ATOM 823 CD2 TYR A 49 1.739 -0.327 -8.784 1.00 44.03 C ATOM 824 CE1 TYR A 49 0.961 2.319 -8.911 1.00 44.45 C ATOM 825 CE2 TYR A 49 2.664 0.648 -9.109 1.00 51.30 C ATOM 826 CZ TYR A 49 2.270 1.969 -9.174 1.00 70.35 C ATOM 827 OH TYR A 49 3.188 2.951 -9.500 1.00 1.25 O ATOM 0 H TYR A 49 -2.798 0.198 -8.359 1.00 20.20 H new ATOM 0 HA TYR A 49 -1.226 -1.375 -10.209 1.00 43.14 H new ATOM 0 HB2 TYR A 49 -1.115 -0.798 -7.215 1.00 2.34 H new ATOM 0 HB3 TYR A 49 -0.075 -2.016 -7.926 1.00 2.34 H new ATOM 0 HD1 TYR A 49 -0.986 1.623 -8.385 1.00 55.21 H new ATOM 0 HD2 TYR A 49 2.053 -1.359 -8.737 1.00 44.03 H new ATOM 0 HE1 TYR A 49 0.658 3.355 -8.959 1.00 44.45 H new ATOM 0 HE2 TYR A 49 3.690 0.377 -9.311 1.00 51.30 H new ATOM 0 HH TYR A 49 3.758 3.137 -8.725 1.00 1.25 H new ATOM 837 N LEU A 50 -3.163 -2.951 -7.984 1.00 22.44 N ATOM 838 CA LEU A 50 -3.766 -4.279 -7.630 1.00 3.22 C ATOM 839 C LEU A 50 -4.378 -5.010 -8.835 1.00 61.35 C ATOM 840 O LEU A 50 -4.203 -6.222 -8.996 1.00 61.10 O ATOM 841 CB LEU A 50 -4.861 -4.142 -6.532 1.00 0.55 C ATOM 842 CG LEU A 50 -4.373 -4.251 -5.063 1.00 44.14 C ATOM 843 CD1 LEU A 50 -3.540 -3.049 -4.629 1.00 1.22 C ATOM 844 CD2 LEU A 50 -5.558 -4.477 -4.120 1.00 24.30 C ATOM 0 H LEU A 50 -3.469 -2.187 -7.381 1.00 22.44 H new ATOM 0 HA LEU A 50 -2.932 -4.872 -7.255 1.00 3.22 H new ATOM 0 HB2 LEU A 50 -5.355 -3.179 -6.659 1.00 0.55 H new ATOM 0 HB3 LEU A 50 -5.614 -4.911 -6.701 1.00 0.55 H new ATOM 0 HG LEU A 50 -3.713 -5.116 -5.007 1.00 44.14 H new ATOM 0 HD11 LEU A 50 -3.226 -3.179 -3.593 1.00 1.22 H new ATOM 0 HD12 LEU A 50 -2.660 -2.966 -5.268 1.00 1.22 H new ATOM 0 HD13 LEU A 50 -4.138 -2.142 -4.716 1.00 1.22 H new ATOM 0 HD21 LEU A 50 -5.198 -4.551 -3.094 1.00 24.30 H new ATOM 0 HD22 LEU A 50 -6.252 -3.641 -4.201 1.00 24.30 H new ATOM 0 HD23 LEU A 50 -6.069 -5.400 -4.393 1.00 24.30 H new ATOM 856 N LYS A 51 -5.068 -4.233 -9.674 1.00 43.33 N ATOM 857 CA LYS A 51 -5.857 -4.737 -10.808 1.00 23.21 C ATOM 858 C LYS A 51 -4.975 -5.453 -11.872 1.00 51.44 C ATOM 859 O LYS A 51 -5.466 -6.268 -12.661 1.00 31.34 O ATOM 860 CB LYS A 51 -6.643 -3.544 -11.428 1.00 2.45 C ATOM 861 CG LYS A 51 -7.962 -3.937 -12.125 1.00 3.11 C ATOM 862 CD LYS A 51 -8.964 -4.603 -11.145 1.00 72.13 C ATOM 863 CE LYS A 51 -10.311 -4.926 -11.804 1.00 12.22 C ATOM 864 NZ LYS A 51 -10.991 -3.709 -12.314 1.00 65.40 N ATOM 0 H LYS A 51 -5.096 -3.217 -9.585 1.00 43.33 H new ATOM 0 HA LYS A 51 -6.554 -5.493 -10.446 1.00 23.21 H new ATOM 0 HB2 LYS A 51 -6.864 -2.823 -10.641 1.00 2.45 H new ATOM 0 HB3 LYS A 51 -6.002 -3.040 -12.151 1.00 2.45 H new ATOM 0 HG2 LYS A 51 -8.419 -3.049 -12.562 1.00 3.11 H new ATOM 0 HG3 LYS A 51 -7.748 -4.622 -12.945 1.00 3.11 H new ATOM 0 HD2 LYS A 51 -8.527 -5.521 -10.753 1.00 72.13 H new ATOM 0 HD3 LYS A 51 -9.129 -3.941 -10.295 1.00 72.13 H new ATOM 0 HE2 LYS A 51 -10.153 -5.624 -12.626 1.00 12.22 H new ATOM 0 HE3 LYS A 51 -10.957 -5.425 -11.082 1.00 12.22 H new ATOM 0 HZ1 LYS A 51 -11.969 -3.943 -12.580 1.00 65.40 H new ATOM 0 HZ2 LYS A 51 -10.999 -2.980 -11.573 1.00 65.40 H new ATOM 0 HZ3 LYS A 51 -10.482 -3.350 -13.147 1.00 65.40 H new ATOM 878 N LYS A 52 -3.668 -5.135 -11.869 1.00 4.12 N ATOM 879 CA LYS A 52 -2.664 -5.756 -12.760 1.00 55.13 C ATOM 880 C LYS A 52 -1.648 -6.637 -11.970 1.00 1.01 C ATOM 881 O LYS A 52 -0.969 -7.483 -12.567 1.00 25.15 O ATOM 882 CB LYS A 52 -1.924 -4.645 -13.546 1.00 24.14 C ATOM 883 CG LYS A 52 -2.845 -3.749 -14.417 1.00 75.03 C ATOM 884 CD LYS A 52 -2.083 -2.579 -15.086 1.00 74.24 C ATOM 885 CE LYS A 52 -1.474 -1.599 -14.064 1.00 44.35 C ATOM 886 NZ LYS A 52 -0.689 -0.529 -14.722 1.00 61.42 N ATOM 0 H LYS A 52 -3.273 -4.433 -11.243 1.00 4.12 H new ATOM 0 HA LYS A 52 -3.184 -6.416 -13.454 1.00 55.13 H new ATOM 0 HB2 LYS A 52 -1.387 -4.013 -12.838 1.00 24.14 H new ATOM 0 HB3 LYS A 52 -1.176 -5.109 -14.189 1.00 24.14 H new ATOM 0 HG2 LYS A 52 -3.314 -4.359 -15.188 1.00 75.03 H new ATOM 0 HG3 LYS A 52 -3.646 -3.348 -13.797 1.00 75.03 H new ATOM 0 HD2 LYS A 52 -1.288 -2.981 -15.714 1.00 74.24 H new ATOM 0 HD3 LYS A 52 -2.764 -2.036 -15.742 1.00 74.24 H new ATOM 0 HE2 LYS A 52 -2.272 -1.151 -13.471 1.00 44.35 H new ATOM 0 HE3 LYS A 52 -0.833 -2.147 -13.374 1.00 44.35 H new ATOM 0 HZ1 LYS A 52 -0.297 0.108 -14.000 1.00 61.42 H new ATOM 0 HZ2 LYS A 52 0.088 -0.954 -15.267 1.00 61.42 H new ATOM 0 HZ3 LYS A 52 -1.306 0.011 -15.362 1.00 61.42 H new ATOM 900 N MET A 53 -1.539 -6.434 -10.631 1.00 23.44 N ATOM 901 CA MET A 53 -0.632 -7.244 -9.765 1.00 55.15 C ATOM 902 C MET A 53 -1.214 -8.651 -9.478 1.00 41.50 C ATOM 903 O MET A 53 -2.435 -8.846 -9.419 1.00 35.55 O ATOM 904 CB MET A 53 -0.301 -6.526 -8.416 1.00 1.20 C ATOM 905 CG MET A 53 0.751 -5.402 -8.506 1.00 62.32 C ATOM 906 SD MET A 53 1.361 -4.841 -6.886 1.00 41.34 S ATOM 907 CE MET A 53 -0.120 -4.231 -6.086 1.00 63.42 C ATOM 0 H MET A 53 -2.064 -5.720 -10.126 1.00 23.44 H new ATOM 0 HA MET A 53 0.295 -7.357 -10.327 1.00 55.15 H new ATOM 0 HB2 MET A 53 -1.222 -6.107 -8.012 1.00 1.20 H new ATOM 0 HB3 MET A 53 0.049 -7.272 -7.703 1.00 1.20 H new ATOM 0 HG2 MET A 53 1.595 -5.753 -9.101 1.00 62.32 H new ATOM 0 HG3 MET A 53 0.319 -4.553 -9.036 1.00 62.32 H new ATOM 0 HE1 MET A 53 0.105 -3.300 -5.565 1.00 63.42 H new ATOM 0 HE2 MET A 53 -0.890 -4.051 -6.836 1.00 63.42 H new ATOM 0 HE3 MET A 53 -0.477 -4.970 -5.369 1.00 63.42 H new ATOM 917 N ASN A 54 -0.302 -9.614 -9.272 1.00 2.55 N ATOM 918 CA ASN A 54 -0.640 -11.028 -8.990 1.00 13.30 C ATOM 919 C ASN A 54 -0.848 -11.254 -7.476 1.00 63.42 C ATOM 920 O ASN A 54 -0.399 -10.446 -6.662 1.00 53.10 O ATOM 921 CB ASN A 54 0.486 -11.953 -9.518 1.00 34.31 C ATOM 922 CG ASN A 54 0.766 -11.754 -11.005 1.00 22.22 C ATOM 923 OD1 ASN A 54 0.145 -12.379 -11.861 1.00 44.51 O ATOM 924 ND2 ASN A 54 1.694 -10.877 -11.322 1.00 1.20 N ATOM 0 H ASN A 54 0.702 -9.437 -9.296 1.00 2.55 H new ATOM 0 HA ASN A 54 -1.572 -11.269 -9.500 1.00 13.30 H new ATOM 0 HB2 ASN A 54 1.399 -11.766 -8.953 1.00 34.31 H new ATOM 0 HB3 ASN A 54 0.209 -12.992 -9.341 1.00 34.31 H new ATOM 0 HD21 ASN A 54 1.915 -10.700 -12.302 1.00 1.20 H new ATOM 0 HD22 ASN A 54 2.192 -10.374 -10.588 1.00 1.20 H new ATOM 931 N GLU A 55 -1.478 -12.396 -7.128 1.00 11.42 N ATOM 932 CA GLU A 55 -1.859 -12.767 -5.734 1.00 74.32 C ATOM 933 C GLU A 55 -0.661 -12.644 -4.750 1.00 30.20 C ATOM 934 O GLU A 55 -0.815 -12.155 -3.630 1.00 62.41 O ATOM 935 CB GLU A 55 -2.414 -14.223 -5.771 1.00 41.44 C ATOM 936 CG GLU A 55 -3.184 -14.724 -4.519 1.00 24.15 C ATOM 937 CD GLU A 55 -2.318 -15.114 -3.296 1.00 64.01 C ATOM 938 OE1 GLU A 55 -1.232 -15.718 -3.474 1.00 2.43 O ATOM 939 OE2 GLU A 55 -2.737 -14.843 -2.149 1.00 45.34 O ATOM 0 H GLU A 55 -1.744 -13.103 -7.814 1.00 11.42 H new ATOM 0 HA GLU A 55 -2.619 -12.079 -5.365 1.00 74.32 H new ATOM 0 HB2 GLU A 55 -3.077 -14.309 -6.632 1.00 41.44 H new ATOM 0 HB3 GLU A 55 -1.577 -14.899 -5.945 1.00 41.44 H new ATOM 0 HG2 GLU A 55 -3.881 -13.945 -4.211 1.00 24.15 H new ATOM 0 HG3 GLU A 55 -3.780 -15.590 -4.807 1.00 24.15 H new ATOM 946 N GLU A 56 0.524 -13.078 -5.222 1.00 72.22 N ATOM 947 CA GLU A 56 1.801 -13.027 -4.465 1.00 32.05 C ATOM 948 C GLU A 56 2.226 -11.577 -4.083 1.00 33.41 C ATOM 949 O GLU A 56 2.703 -11.335 -2.966 1.00 42.11 O ATOM 950 CB GLU A 56 2.907 -13.733 -5.301 1.00 54.30 C ATOM 951 CG GLU A 56 3.109 -13.155 -6.728 1.00 74.13 C ATOM 952 CD GLU A 56 4.084 -13.982 -7.576 1.00 24.45 C ATOM 953 OE1 GLU A 56 5.306 -13.716 -7.530 1.00 32.43 O ATOM 954 OE2 GLU A 56 3.637 -14.918 -8.282 1.00 3.24 O ATOM 0 H GLU A 56 0.628 -13.481 -6.153 1.00 72.22 H new ATOM 0 HA GLU A 56 1.655 -13.549 -3.519 1.00 32.05 H new ATOM 0 HB2 GLU A 56 3.851 -13.667 -4.760 1.00 54.30 H new ATOM 0 HB3 GLU A 56 2.661 -14.792 -5.384 1.00 54.30 H new ATOM 0 HG2 GLU A 56 2.145 -13.107 -7.235 1.00 74.13 H new ATOM 0 HG3 GLU A 56 3.479 -12.133 -6.651 1.00 74.13 H new ATOM 961 N GLU A 57 2.068 -10.631 -5.026 1.00 52.55 N ATOM 962 CA GLU A 57 2.372 -9.190 -4.808 1.00 22.13 C ATOM 963 C GLU A 57 1.335 -8.553 -3.859 1.00 55.34 C ATOM 964 O GLU A 57 1.673 -7.776 -2.963 1.00 34.40 O ATOM 965 CB GLU A 57 2.374 -8.450 -6.170 1.00 1.55 C ATOM 966 CG GLU A 57 3.330 -9.051 -7.214 1.00 15.32 C ATOM 967 CD GLU A 57 3.326 -8.269 -8.533 1.00 64.25 C ATOM 968 OE1 GLU A 57 3.982 -7.209 -8.600 1.00 44.00 O ATOM 969 OE2 GLU A 57 2.644 -8.689 -9.495 1.00 72.41 O ATOM 0 H GLU A 57 1.726 -10.836 -5.965 1.00 52.55 H new ATOM 0 HA GLU A 57 3.356 -9.103 -4.347 1.00 22.13 H new ATOM 0 HB2 GLU A 57 1.362 -8.456 -6.575 1.00 1.55 H new ATOM 0 HB3 GLU A 57 2.645 -7.407 -6.004 1.00 1.55 H new ATOM 0 HG2 GLU A 57 4.342 -9.068 -6.808 1.00 15.32 H new ATOM 0 HG3 GLU A 57 3.047 -10.086 -7.408 1.00 15.32 H new ATOM 976 N LEU A 58 0.065 -8.894 -4.112 1.00 65.21 N ATOM 977 CA LEU A 58 -1.087 -8.533 -3.253 1.00 64.10 C ATOM 978 C LEU A 58 -0.925 -8.997 -1.773 1.00 43.14 C ATOM 979 O LEU A 58 -1.441 -8.346 -0.861 1.00 55.20 O ATOM 980 CB LEU A 58 -2.392 -9.123 -3.849 1.00 62.34 C ATOM 981 CG LEU A 58 -2.729 -8.735 -5.323 1.00 40.41 C ATOM 982 CD1 LEU A 58 -4.151 -9.166 -5.710 1.00 21.35 C ATOM 983 CD2 LEU A 58 -2.505 -7.242 -5.594 1.00 11.23 C ATOM 0 H LEU A 58 -0.203 -9.438 -4.932 1.00 65.21 H new ATOM 0 HA LEU A 58 -1.134 -7.444 -3.235 1.00 64.10 H new ATOM 0 HB2 LEU A 58 -2.332 -10.210 -3.789 1.00 62.34 H new ATOM 0 HB3 LEU A 58 -3.225 -8.814 -3.217 1.00 62.34 H new ATOM 0 HG LEU A 58 -2.033 -9.283 -5.959 1.00 40.41 H new ATOM 0 HD11 LEU A 58 -4.350 -8.879 -6.743 1.00 21.35 H new ATOM 0 HD12 LEU A 58 -4.243 -10.247 -5.609 1.00 21.35 H new ATOM 0 HD13 LEU A 58 -4.871 -8.678 -5.053 1.00 21.35 H new ATOM 0 HD21 LEU A 58 -2.752 -7.019 -6.632 1.00 11.23 H new ATOM 0 HD22 LEU A 58 -3.142 -6.653 -4.935 1.00 11.23 H new ATOM 0 HD23 LEU A 58 -1.461 -6.991 -5.408 1.00 11.23 H new ATOM 995 N GLU A 59 -0.226 -10.129 -1.549 1.00 2.23 N ATOM 996 CA GLU A 59 0.118 -10.616 -0.186 1.00 23.01 C ATOM 997 C GLU A 59 1.078 -9.654 0.548 1.00 63.03 C ATOM 998 O GLU A 59 0.910 -9.379 1.744 1.00 43.13 O ATOM 999 CB GLU A 59 0.737 -12.040 -0.266 1.00 42.24 C ATOM 1000 CG GLU A 59 -0.276 -13.172 -0.528 1.00 60.11 C ATOM 1001 CD GLU A 59 -1.181 -13.468 0.684 1.00 74.34 C ATOM 1002 OE1 GLU A 59 -2.198 -12.766 0.877 1.00 14.42 O ATOM 1003 OE2 GLU A 59 -0.874 -14.403 1.458 1.00 13.02 O ATOM 0 H GLU A 59 0.116 -10.731 -2.298 1.00 2.23 H new ATOM 0 HA GLU A 59 -0.806 -10.656 0.391 1.00 23.01 H new ATOM 0 HB2 GLU A 59 1.486 -12.051 -1.058 1.00 42.24 H new ATOM 0 HB3 GLU A 59 1.258 -12.247 0.669 1.00 42.24 H new ATOM 0 HG2 GLU A 59 -0.899 -12.904 -1.381 1.00 60.11 H new ATOM 0 HG3 GLU A 59 0.264 -14.079 -0.800 1.00 60.11 H new ATOM 1010 N GLU A 60 2.082 -9.143 -0.179 1.00 1.22 N ATOM 1011 CA GLU A 60 3.018 -8.139 0.359 1.00 53.15 C ATOM 1012 C GLU A 60 2.286 -6.788 0.591 1.00 11.23 C ATOM 1013 O GLU A 60 2.578 -6.067 1.555 1.00 30.43 O ATOM 1014 CB GLU A 60 4.233 -7.983 -0.595 1.00 73.52 C ATOM 1015 CG GLU A 60 5.321 -7.012 -0.090 1.00 10.43 C ATOM 1016 CD GLU A 60 6.635 -7.086 -0.889 1.00 71.44 C ATOM 1017 OE1 GLU A 60 6.768 -6.402 -1.929 1.00 61.43 O ATOM 1018 OE2 GLU A 60 7.552 -7.830 -0.476 1.00 40.41 O ATOM 0 H GLU A 60 2.269 -9.409 -1.146 1.00 1.22 H new ATOM 0 HA GLU A 60 3.394 -8.475 1.325 1.00 53.15 H new ATOM 0 HB2 GLU A 60 4.683 -8.963 -0.753 1.00 73.52 H new ATOM 0 HB3 GLU A 60 3.876 -7.636 -1.565 1.00 73.52 H new ATOM 0 HG2 GLU A 60 4.936 -5.993 -0.135 1.00 10.43 H new ATOM 0 HG3 GLU A 60 5.530 -7.228 0.958 1.00 10.43 H new ATOM 1025 N TYR A 61 1.308 -6.478 -0.292 1.00 61.01 N ATOM 1026 CA TYR A 61 0.436 -5.291 -0.142 1.00 1.31 C ATOM 1027 C TYR A 61 -0.439 -5.393 1.130 1.00 20.40 C ATOM 1028 O TYR A 61 -0.658 -4.394 1.811 1.00 31.14 O ATOM 1029 CB TYR A 61 -0.445 -5.076 -1.400 1.00 22.04 C ATOM 1030 CG TYR A 61 -1.305 -3.800 -1.329 1.00 42.02 C ATOM 1031 CD1 TYR A 61 -0.711 -2.534 -1.375 1.00 33.22 C ATOM 1032 CD2 TYR A 61 -2.695 -3.854 -1.181 1.00 72.42 C ATOM 1033 CE1 TYR A 61 -1.466 -1.383 -1.285 1.00 53.33 C ATOM 1034 CE2 TYR A 61 -3.451 -2.698 -1.086 1.00 14.13 C ATOM 1035 CZ TYR A 61 -2.831 -1.469 -1.140 1.00 23.14 C ATOM 1036 OH TYR A 61 -3.580 -0.322 -1.038 1.00 12.51 O ATOM 0 H TYR A 61 1.103 -7.038 -1.120 1.00 61.01 H new ATOM 0 HA TYR A 61 1.085 -4.422 -0.034 1.00 1.31 H new ATOM 0 HB2 TYR A 61 0.196 -5.026 -2.280 1.00 22.04 H new ATOM 0 HB3 TYR A 61 -1.098 -5.939 -1.530 1.00 22.04 H new ATOM 0 HD1 TYR A 61 0.361 -2.456 -1.483 1.00 33.22 H new ATOM 0 HD2 TYR A 61 -3.187 -4.814 -1.140 1.00 72.42 H new ATOM 0 HE1 TYR A 61 -0.986 -0.416 -1.328 1.00 53.33 H new ATOM 0 HE2 TYR A 61 -4.523 -2.760 -0.970 1.00 14.13 H new ATOM 0 HH TYR A 61 -3.267 0.333 -1.697 1.00 12.51 H new ATOM 1046 N ASP A 62 -0.908 -6.614 1.444 1.00 53.10 N ATOM 1047 CA ASP A 62 -1.681 -6.901 2.676 1.00 64.31 C ATOM 1048 C ASP A 62 -0.841 -6.564 3.943 1.00 20.45 C ATOM 1049 O ASP A 62 -1.354 -5.992 4.910 1.00 43.33 O ATOM 1050 CB ASP A 62 -2.115 -8.388 2.669 1.00 44.31 C ATOM 1051 CG ASP A 62 -3.065 -8.767 3.821 1.00 33.54 C ATOM 1052 OD1 ASP A 62 -2.580 -9.135 4.912 1.00 21.11 O ATOM 1053 OD2 ASP A 62 -4.300 -8.691 3.645 1.00 72.14 O ATOM 0 H ASP A 62 -0.764 -7.433 0.853 1.00 53.10 H new ATOM 0 HA ASP A 62 -2.572 -6.273 2.701 1.00 64.31 H new ATOM 0 HB2 ASP A 62 -2.604 -8.609 1.720 1.00 44.31 H new ATOM 0 HB3 ASP A 62 -1.226 -9.016 2.723 1.00 44.31 H new ATOM 1058 N SER A 63 0.460 -6.912 3.899 1.00 0.53 N ATOM 1059 CA SER A 63 1.437 -6.561 4.963 1.00 60.25 C ATOM 1060 C SER A 63 1.644 -5.031 5.075 1.00 53.02 C ATOM 1061 O SER A 63 1.846 -4.523 6.172 1.00 23.51 O ATOM 1062 CB SER A 63 2.791 -7.265 4.706 1.00 1.25 C ATOM 1063 OG SER A 63 2.632 -8.675 4.677 1.00 31.24 O ATOM 0 H SER A 63 0.868 -7.443 3.130 1.00 0.53 H new ATOM 0 HA SER A 63 1.026 -6.909 5.911 1.00 60.25 H new ATOM 0 HB2 SER A 63 3.209 -6.923 3.759 1.00 1.25 H new ATOM 0 HB3 SER A 63 3.501 -6.991 5.486 1.00 1.25 H new ATOM 0 HG SER A 63 3.500 -9.099 4.512 1.00 31.24 H new ATOM 1069 N LEU A 64 1.577 -4.305 3.935 1.00 21.32 N ATOM 1070 CA LEU A 64 1.680 -2.821 3.913 1.00 23.34 C ATOM 1071 C LEU A 64 0.424 -2.165 4.549 1.00 11.54 C ATOM 1072 O LEU A 64 0.518 -1.145 5.230 1.00 24.54 O ATOM 1073 CB LEU A 64 1.887 -2.317 2.459 1.00 54.42 C ATOM 1074 CG LEU A 64 2.184 -0.792 2.285 1.00 1.03 C ATOM 1075 CD1 LEU A 64 3.507 -0.383 2.985 1.00 34.53 C ATOM 1076 CD2 LEU A 64 2.185 -0.390 0.788 1.00 65.34 C ATOM 0 H LEU A 64 1.452 -4.722 3.013 1.00 21.32 H new ATOM 0 HA LEU A 64 2.545 -2.530 4.508 1.00 23.34 H new ATOM 0 HB2 LEU A 64 2.711 -2.878 2.018 1.00 54.42 H new ATOM 0 HB3 LEU A 64 0.993 -2.558 1.884 1.00 54.42 H new ATOM 0 HG LEU A 64 1.379 -0.243 2.774 1.00 1.03 H new ATOM 0 HD11 LEU A 64 3.680 0.684 2.842 1.00 34.53 H new ATOM 0 HD12 LEU A 64 3.437 -0.600 4.051 1.00 34.53 H new ATOM 0 HD13 LEU A 64 4.335 -0.945 2.554 1.00 34.53 H new ATOM 0 HD21 LEU A 64 2.394 0.676 0.698 1.00 65.34 H new ATOM 0 HD22 LEU A 64 2.952 -0.956 0.260 1.00 65.34 H new ATOM 0 HD23 LEU A 64 1.210 -0.606 0.352 1.00 65.34 H new ATOM 1088 N LEU A 65 -0.751 -2.783 4.322 1.00 2.42 N ATOM 1089 CA LEU A 65 -2.026 -2.392 4.977 1.00 14.24 C ATOM 1090 C LEU A 65 -1.959 -2.645 6.501 1.00 3.35 C ATOM 1091 O LEU A 65 -2.506 -1.878 7.301 1.00 72.03 O ATOM 1092 CB LEU A 65 -3.194 -3.200 4.360 1.00 20.40 C ATOM 1093 CG LEU A 65 -3.358 -3.042 2.821 1.00 32.13 C ATOM 1094 CD1 LEU A 65 -4.386 -4.032 2.250 1.00 25.20 C ATOM 1095 CD2 LEU A 65 -3.702 -1.589 2.447 1.00 22.44 C ATOM 0 H LEU A 65 -0.849 -3.569 3.679 1.00 2.42 H new ATOM 0 HA LEU A 65 -2.191 -1.327 4.813 1.00 14.24 H new ATOM 0 HB2 LEU A 65 -3.047 -4.256 4.589 1.00 20.40 H new ATOM 0 HB3 LEU A 65 -4.122 -2.895 4.843 1.00 20.40 H new ATOM 0 HG LEU A 65 -2.398 -3.284 2.364 1.00 32.13 H new ATOM 0 HD11 LEU A 65 -4.470 -3.888 1.173 1.00 25.20 H new ATOM 0 HD12 LEU A 65 -4.062 -5.052 2.456 1.00 25.20 H new ATOM 0 HD13 LEU A 65 -5.356 -3.859 2.716 1.00 25.20 H new ATOM 0 HD21 LEU A 65 -3.811 -1.508 1.365 1.00 22.44 H new ATOM 0 HD22 LEU A 65 -4.637 -1.301 2.928 1.00 22.44 H new ATOM 0 HD23 LEU A 65 -2.903 -0.928 2.782 1.00 22.44 H new ATOM 1107 N ASN A 66 -1.264 -3.735 6.864 1.00 41.23 N ATOM 1108 CA ASN A 66 -0.986 -4.133 8.261 1.00 73.35 C ATOM 1109 C ASN A 66 -0.038 -3.120 8.979 1.00 62.45 C ATOM 1110 O ASN A 66 -0.037 -3.038 10.213 1.00 42.10 O ATOM 1111 CB ASN A 66 -0.406 -5.582 8.232 1.00 52.33 C ATOM 1112 CG ASN A 66 0.245 -6.054 9.527 1.00 3.41 C ATOM 1113 OD1 ASN A 66 -0.415 -6.559 10.426 1.00 52.34 O ATOM 1114 ND2 ASN A 66 1.554 -5.905 9.616 1.00 71.23 N ATOM 0 H ASN A 66 -0.869 -4.382 6.181 1.00 41.23 H new ATOM 0 HA ASN A 66 -1.905 -4.121 8.847 1.00 73.35 H new ATOM 0 HB2 ASN A 66 -1.211 -6.272 7.978 1.00 52.33 H new ATOM 0 HB3 ASN A 66 0.331 -5.644 7.432 1.00 52.33 H new ATOM 0 HD21 ASN A 66 2.047 -6.215 10.453 1.00 71.23 H new ATOM 0 HD22 ASN A 66 2.072 -5.480 8.847 1.00 71.23 H new ATOM 1121 N GLU A 67 0.737 -2.332 8.200 1.00 22.53 N ATOM 1122 CA GLU A 67 1.651 -1.300 8.760 1.00 55.42 C ATOM 1123 C GLU A 67 0.876 -0.043 9.215 1.00 44.31 C ATOM 1124 O GLU A 67 -0.237 0.226 8.739 1.00 63.52 O ATOM 1125 CB GLU A 67 2.744 -0.895 7.728 1.00 41.43 C ATOM 1126 CG GLU A 67 3.568 -2.061 7.151 1.00 22.40 C ATOM 1127 CD GLU A 67 4.244 -2.944 8.214 1.00 15.32 C ATOM 1128 OE1 GLU A 67 5.320 -2.560 8.723 1.00 25.52 O ATOM 1129 OE2 GLU A 67 3.717 -4.037 8.539 1.00 64.42 O ATOM 0 H GLU A 67 0.751 -2.388 7.182 1.00 22.53 H new ATOM 0 HA GLU A 67 2.134 -1.744 9.630 1.00 55.42 H new ATOM 0 HB2 GLU A 67 2.264 -0.368 6.903 1.00 41.43 H new ATOM 0 HB3 GLU A 67 3.426 -0.190 8.203 1.00 41.43 H new ATOM 0 HG2 GLU A 67 2.916 -2.684 6.539 1.00 22.40 H new ATOM 0 HG3 GLU A 67 4.335 -1.657 6.490 1.00 22.40 H new ATOM 1136 N LEU A 68 1.489 0.722 10.133 1.00 34.22 N ATOM 1137 CA LEU A 68 0.913 1.962 10.672 1.00 35.04 C ATOM 1138 C LEU A 68 1.027 3.096 9.610 1.00 65.03 C ATOM 1139 O LEU A 68 2.122 3.382 9.110 1.00 33.41 O ATOM 1140 CB LEU A 68 1.622 2.336 12.013 1.00 42.32 C ATOM 1141 CG LEU A 68 0.719 2.951 13.137 1.00 22.52 C ATOM 1142 CD1 LEU A 68 1.500 3.101 14.465 1.00 14.11 C ATOM 1143 CD2 LEU A 68 0.085 4.301 12.710 1.00 5.44 C ATOM 0 H LEU A 68 2.404 0.495 10.523 1.00 34.22 H new ATOM 0 HA LEU A 68 -0.145 1.820 10.891 1.00 35.04 H new ATOM 0 HB2 LEU A 68 2.096 1.438 12.410 1.00 42.32 H new ATOM 0 HB3 LEU A 68 2.419 3.045 11.791 1.00 42.32 H new ATOM 0 HG LEU A 68 -0.100 2.251 13.301 1.00 22.52 H new ATOM 0 HD11 LEU A 68 0.847 3.530 15.225 1.00 14.11 H new ATOM 0 HD12 LEU A 68 1.847 2.122 14.796 1.00 14.11 H new ATOM 0 HD13 LEU A 68 2.357 3.757 14.311 1.00 14.11 H new ATOM 0 HD21 LEU A 68 -0.531 4.687 13.522 1.00 5.44 H new ATOM 0 HD22 LEU A 68 0.874 5.017 12.482 1.00 5.44 H new ATOM 0 HD23 LEU A 68 -0.534 4.149 11.826 1.00 5.44 H new ATOM 1155 N ASP A 69 -0.130 3.708 9.299 1.00 71.12 N ATOM 1156 CA ASP A 69 -0.312 4.735 8.237 1.00 75.43 C ATOM 1157 C ASP A 69 0.799 5.822 8.158 1.00 31.12 C ATOM 1158 O ASP A 69 1.359 6.047 7.073 1.00 64.13 O ATOM 1159 CB ASP A 69 -1.710 5.387 8.392 1.00 51.44 C ATOM 1160 CG ASP A 69 -2.038 5.769 9.838 1.00 23.40 C ATOM 1161 OD1 ASP A 69 -2.535 4.893 10.581 1.00 60.30 O ATOM 1162 OD2 ASP A 69 -1.797 6.925 10.244 1.00 32.31 O ATOM 0 H ASP A 69 -0.998 3.500 9.792 1.00 71.12 H new ATOM 0 HA ASP A 69 -0.231 4.202 7.290 1.00 75.43 H new ATOM 0 HB2 ASP A 69 -1.760 6.279 7.767 1.00 51.44 H new ATOM 0 HB3 ASP A 69 -2.469 4.697 8.024 1.00 51.44 H new ATOM 1167 N TRP A 70 1.106 6.495 9.290 1.00 45.50 N ATOM 1168 CA TRP A 70 2.156 7.549 9.331 1.00 41.51 C ATOM 1169 C TRP A 70 3.526 7.034 8.826 1.00 75.53 C ATOM 1170 O TRP A 70 4.160 7.699 8.002 1.00 54.32 O ATOM 1171 CB TRP A 70 2.301 8.170 10.747 1.00 53.31 C ATOM 1172 CG TRP A 70 1.296 9.254 11.056 1.00 63.45 C ATOM 1173 CD1 TRP A 70 0.318 9.241 12.012 1.00 50.23 C ATOM 1174 CD2 TRP A 70 1.184 10.525 10.384 1.00 41.44 C ATOM 1175 NE1 TRP A 70 -0.378 10.421 11.985 1.00 24.20 N ATOM 1176 CE2 TRP A 70 0.129 11.220 10.991 1.00 54.14 C ATOM 1177 CE3 TRP A 70 1.876 11.138 9.324 1.00 71.02 C ATOM 1178 CZ2 TRP A 70 -0.257 12.497 10.581 1.00 32.41 C ATOM 1179 CZ3 TRP A 70 1.492 12.400 8.916 1.00 45.13 C ATOM 1180 CH2 TRP A 70 0.431 13.069 9.543 1.00 53.11 C ATOM 0 H TRP A 70 0.646 6.331 10.186 1.00 45.50 H new ATOM 0 HA TRP A 70 1.823 8.332 8.649 1.00 41.51 H new ATOM 0 HB2 TRP A 70 2.204 7.378 11.490 1.00 53.31 H new ATOM 0 HB3 TRP A 70 3.305 8.582 10.849 1.00 53.31 H new ATOM 0 HD1 TRP A 70 0.123 8.422 12.688 1.00 50.23 H new ATOM 0 HE1 TRP A 70 -1.150 10.666 12.605 1.00 24.20 H new ATOM 0 HE3 TRP A 70 2.695 10.630 8.837 1.00 71.02 H new ATOM 0 HZ2 TRP A 70 -1.070 13.017 11.065 1.00 32.41 H new ATOM 0 HZ3 TRP A 70 2.016 12.879 8.102 1.00 45.13 H new ATOM 0 HH2 TRP A 70 0.151 14.054 9.201 1.00 53.11 H new ATOM 1191 N ASP A 71 3.938 5.831 9.281 1.00 35.22 N ATOM 1192 CA ASP A 71 5.228 5.220 8.880 1.00 20.51 C ATOM 1193 C ASP A 71 5.279 4.968 7.355 1.00 33.50 C ATOM 1194 O ASP A 71 6.245 5.348 6.697 1.00 55.50 O ATOM 1195 CB ASP A 71 5.470 3.900 9.648 1.00 32.23 C ATOM 1196 CG ASP A 71 5.541 4.110 11.163 1.00 31.34 C ATOM 1197 OD1 ASP A 71 6.499 4.755 11.641 1.00 24.02 O ATOM 1198 OD2 ASP A 71 4.626 3.674 11.885 1.00 54.51 O ATOM 0 H ASP A 71 3.395 5.260 9.929 1.00 35.22 H new ATOM 0 HA ASP A 71 6.020 5.924 9.135 1.00 20.51 H new ATOM 0 HB2 ASP A 71 4.669 3.197 9.419 1.00 32.23 H new ATOM 0 HB3 ASP A 71 6.400 3.447 9.303 1.00 32.23 H new ATOM 1203 N ILE A 72 4.195 4.364 6.817 1.00 41.45 N ATOM 1204 CA ILE A 72 4.005 4.125 5.353 1.00 12.54 C ATOM 1205 C ILE A 72 4.203 5.427 4.538 1.00 70.44 C ATOM 1206 O ILE A 72 4.899 5.450 3.515 1.00 71.44 O ATOM 1207 CB ILE A 72 2.550 3.585 5.053 1.00 32.10 C ATOM 1208 CG1 ILE A 72 2.214 2.329 5.911 1.00 4.02 C ATOM 1209 CG2 ILE A 72 2.340 3.293 3.540 1.00 51.12 C ATOM 1210 CD1 ILE A 72 0.753 1.897 5.844 1.00 14.44 C ATOM 0 H ILE A 72 3.418 4.024 7.383 1.00 41.45 H new ATOM 0 HA ILE A 72 4.751 3.387 5.058 1.00 12.54 H new ATOM 0 HB ILE A 72 1.858 4.378 5.335 1.00 32.10 H new ATOM 0 HG12 ILE A 72 2.841 1.500 5.583 1.00 4.02 H new ATOM 0 HG13 ILE A 72 2.473 2.533 6.950 1.00 4.02 H new ATOM 0 HG21 ILE A 72 1.327 2.924 3.378 1.00 51.12 H new ATOM 0 HG22 ILE A 72 2.488 4.209 2.969 1.00 51.12 H new ATOM 0 HG23 ILE A 72 3.057 2.541 3.212 1.00 51.12 H new ATOM 0 HD11 ILE A 72 0.605 1.016 6.469 1.00 14.44 H new ATOM 0 HD12 ILE A 72 0.117 2.707 6.202 1.00 14.44 H new ATOM 0 HD13 ILE A 72 0.491 1.658 4.813 1.00 14.44 H new ATOM 1222 N TYR A 73 3.585 6.507 5.044 1.00 74.51 N ATOM 1223 CA TYR A 73 3.577 7.827 4.393 1.00 23.30 C ATOM 1224 C TYR A 73 4.992 8.447 4.374 1.00 51.33 C ATOM 1225 O TYR A 73 5.416 9.002 3.361 1.00 4.42 O ATOM 1226 CB TYR A 73 2.579 8.759 5.127 1.00 10.35 C ATOM 1227 CG TYR A 73 2.149 9.986 4.313 1.00 63.21 C ATOM 1228 CD1 TYR A 73 1.185 9.865 3.306 1.00 14.33 C ATOM 1229 CD2 TYR A 73 2.694 11.255 4.540 1.00 24.25 C ATOM 1230 CE1 TYR A 73 0.788 10.954 2.559 1.00 24.33 C ATOM 1231 CE2 TYR A 73 2.294 12.348 3.792 1.00 24.42 C ATOM 1232 CZ TYR A 73 1.342 12.191 2.807 1.00 62.31 C ATOM 1233 OH TYR A 73 0.934 13.280 2.074 1.00 31.01 O ATOM 0 H TYR A 73 3.072 6.488 5.925 1.00 74.51 H new ATOM 0 HA TYR A 73 3.259 7.706 3.358 1.00 23.30 H new ATOM 0 HB2 TYR A 73 1.692 8.185 5.394 1.00 10.35 H new ATOM 0 HB3 TYR A 73 3.032 9.096 6.059 1.00 10.35 H new ATOM 0 HD1 TYR A 73 0.743 8.899 3.110 1.00 14.33 H new ATOM 0 HD2 TYR A 73 3.439 11.383 5.312 1.00 24.25 H new ATOM 0 HE1 TYR A 73 0.046 10.838 1.783 1.00 24.33 H new ATOM 0 HE2 TYR A 73 2.726 13.320 3.979 1.00 24.42 H new ATOM 0 HH TYR A 73 0.122 13.657 2.473 1.00 31.01 H new ATOM 1243 N TYR A 74 5.719 8.315 5.502 1.00 70.11 N ATOM 1244 CA TYR A 74 7.093 8.849 5.645 1.00 43.21 C ATOM 1245 C TYR A 74 8.104 8.080 4.763 1.00 63.04 C ATOM 1246 O TYR A 74 9.046 8.671 4.240 1.00 75.11 O ATOM 1247 CB TYR A 74 7.549 8.823 7.124 1.00 40.13 C ATOM 1248 CG TYR A 74 6.779 9.777 8.059 1.00 51.45 C ATOM 1249 CD1 TYR A 74 6.540 11.109 7.709 1.00 62.11 C ATOM 1250 CD2 TYR A 74 6.332 9.356 9.311 1.00 75.41 C ATOM 1251 CE1 TYR A 74 5.871 11.969 8.563 1.00 11.30 C ATOM 1252 CE2 TYR A 74 5.662 10.207 10.162 1.00 41.34 C ATOM 1253 CZ TYR A 74 5.441 11.513 9.792 1.00 2.55 C ATOM 1254 OH TYR A 74 4.773 12.366 10.648 1.00 64.32 O ATOM 0 H TYR A 74 5.375 7.839 6.336 1.00 70.11 H new ATOM 0 HA TYR A 74 7.069 9.884 5.304 1.00 43.21 H new ATOM 0 HB2 TYR A 74 7.446 7.806 7.503 1.00 40.13 H new ATOM 0 HB3 TYR A 74 8.609 9.074 7.166 1.00 40.13 H new ATOM 0 HD1 TYR A 74 6.884 11.475 6.753 1.00 62.11 H new ATOM 0 HD2 TYR A 74 6.516 8.338 9.621 1.00 75.41 H new ATOM 0 HE1 TYR A 74 5.687 12.992 8.269 1.00 11.30 H new ATOM 0 HE2 TYR A 74 5.311 9.849 11.119 1.00 41.34 H new ATOM 0 HH TYR A 74 3.807 12.277 10.510 1.00 64.32 H new ATOM 1264 N TRP A 75 7.896 6.761 4.595 1.00 24.04 N ATOM 1265 CA TRP A 75 8.728 5.935 3.684 1.00 2.43 C ATOM 1266 C TRP A 75 8.465 6.324 2.204 1.00 34.32 C ATOM 1267 O TRP A 75 9.388 6.361 1.383 1.00 40.11 O ATOM 1268 CB TRP A 75 8.463 4.419 3.900 1.00 52.13 C ATOM 1269 CG TRP A 75 8.682 3.919 5.317 1.00 65.24 C ATOM 1270 CD1 TRP A 75 9.580 4.390 6.242 1.00 74.34 C ATOM 1271 CD2 TRP A 75 7.991 2.832 5.961 1.00 2.43 C ATOM 1272 NE1 TRP A 75 9.470 3.683 7.411 1.00 40.23 N ATOM 1273 CE2 TRP A 75 8.504 2.724 7.265 1.00 15.13 C ATOM 1274 CE3 TRP A 75 6.978 1.950 5.559 1.00 70.11 C ATOM 1275 CZ2 TRP A 75 8.043 1.773 8.171 1.00 1.40 C ATOM 1276 CZ3 TRP A 75 6.519 1.005 6.460 1.00 3.44 C ATOM 1277 CH2 TRP A 75 7.053 0.922 7.755 1.00 35.15 C ATOM 0 H TRP A 75 7.162 6.240 5.075 1.00 24.04 H new ATOM 0 HA TRP A 75 9.775 6.131 3.917 1.00 2.43 H new ATOM 0 HB2 TRP A 75 7.435 4.201 3.610 1.00 52.13 H new ATOM 0 HB3 TRP A 75 9.110 3.854 3.229 1.00 52.13 H new ATOM 0 HD1 TRP A 75 10.273 5.201 6.073 1.00 74.34 H new ATOM 0 HE1 TRP A 75 10.020 3.845 8.255 1.00 40.23 H new ATOM 0 HE3 TRP A 75 6.563 2.007 4.564 1.00 70.11 H new ATOM 0 HZ2 TRP A 75 8.452 1.708 9.168 1.00 1.40 H new ATOM 0 HZ3 TRP A 75 5.738 0.321 6.162 1.00 3.44 H new ATOM 0 HH2 TRP A 75 6.677 0.173 8.436 1.00 35.15 H new ATOM 1288 N ALA A 76 7.191 6.639 1.895 1.00 5.02 N ATOM 1289 CA ALA A 76 6.756 7.087 0.551 1.00 71.45 C ATOM 1290 C ALA A 76 7.152 8.560 0.245 1.00 43.33 C ATOM 1291 O ALA A 76 7.104 8.986 -0.913 1.00 2.20 O ATOM 1292 CB ALA A 76 5.237 6.899 0.406 1.00 65.34 C ATOM 0 H ALA A 76 6.429 6.590 2.572 1.00 5.02 H new ATOM 0 HA ALA A 76 7.277 6.468 -0.179 1.00 71.45 H new ATOM 0 HB1 ALA A 76 4.922 7.230 -0.584 1.00 65.34 H new ATOM 0 HB2 ALA A 76 4.987 5.846 0.533 1.00 65.34 H new ATOM 0 HB3 ALA A 76 4.723 7.488 1.166 1.00 65.34 H new ATOM 1298 N THR A 77 7.520 9.338 1.292 1.00 23.11 N ATOM 1299 CA THR A 77 7.946 10.767 1.149 1.00 54.03 C ATOM 1300 C THR A 77 9.434 10.993 1.533 1.00 12.22 C ATOM 1301 O THR A 77 9.893 12.141 1.544 1.00 54.45 O ATOM 1302 CB THR A 77 7.043 11.728 2.002 1.00 41.13 C ATOM 1303 OG1 THR A 77 7.086 11.344 3.388 1.00 72.35 O ATOM 1304 CG2 THR A 77 5.578 11.740 1.509 1.00 22.40 C ATOM 0 H THR A 77 7.533 9.003 2.255 1.00 23.11 H new ATOM 0 HA THR A 77 7.828 11.002 0.091 1.00 54.03 H new ATOM 0 HB THR A 77 7.440 12.736 1.885 1.00 41.13 H new ATOM 0 HG1 THR A 77 7.445 12.084 3.921 1.00 72.35 H new ATOM 0 HG21 THR A 77 4.991 12.418 2.129 1.00 22.40 H new ATOM 0 HG22 THR A 77 5.546 12.076 0.472 1.00 22.40 H new ATOM 0 HG23 THR A 77 5.163 10.735 1.578 1.00 22.40 H new ATOM 1312 N LYS A 78 10.168 9.893 1.832 1.00 64.30 N ATOM 1313 CA LYS A 78 11.633 9.905 2.166 1.00 10.22 C ATOM 1314 C LYS A 78 11.975 10.594 3.522 1.00 73.23 C ATOM 1315 O LYS A 78 13.127 10.990 3.756 1.00 42.40 O ATOM 1316 CB LYS A 78 12.487 10.515 1.010 1.00 52.55 C ATOM 1317 CG LYS A 78 12.473 9.704 -0.306 1.00 62.32 C ATOM 1318 CD LYS A 78 13.289 10.386 -1.434 1.00 24.01 C ATOM 1319 CE LYS A 78 12.724 11.766 -1.826 1.00 52.20 C ATOM 1320 NZ LYS A 78 13.543 12.429 -2.864 1.00 54.11 N ATOM 0 H LYS A 78 9.764 8.957 1.851 1.00 64.30 H new ATOM 0 HA LYS A 78 11.899 8.855 2.284 1.00 10.22 H new ATOM 0 HB2 LYS A 78 12.125 11.522 0.803 1.00 52.55 H new ATOM 0 HB3 LYS A 78 13.518 10.610 1.350 1.00 52.55 H new ATOM 0 HG2 LYS A 78 12.878 8.709 -0.120 1.00 62.32 H new ATOM 0 HG3 LYS A 78 11.443 9.572 -0.636 1.00 62.32 H new ATOM 0 HD2 LYS A 78 14.324 10.500 -1.110 1.00 24.01 H new ATOM 0 HD3 LYS A 78 13.299 9.739 -2.311 1.00 24.01 H new ATOM 0 HE2 LYS A 78 11.703 11.649 -2.190 1.00 52.20 H new ATOM 0 HE3 LYS A 78 12.676 12.402 -0.942 1.00 52.20 H new ATOM 0 HZ1 LYS A 78 13.127 13.353 -3.097 1.00 54.11 H new ATOM 0 HZ2 LYS A 78 14.511 12.565 -2.508 1.00 54.11 H new ATOM 0 HZ3 LYS A 78 13.568 11.836 -3.718 1.00 54.11 H new ATOM 1334 N ASN A 79 10.990 10.692 4.425 1.00 44.12 N ATOM 1335 CA ASN A 79 11.191 11.214 5.800 1.00 62.23 C ATOM 1336 C ASN A 79 11.678 10.083 6.755 1.00 2.10 C ATOM 1337 O ASN A 79 11.049 9.785 7.782 1.00 62.53 O ATOM 1338 CB ASN A 79 9.870 11.853 6.308 1.00 41.32 C ATOM 1339 CG ASN A 79 9.372 13.007 5.436 1.00 22.31 C ATOM 1340 OD1 ASN A 79 8.069 13.197 5.373 1.00 0.43 O flip ATOM 1341 ND2 ASN A 79 10.152 13.724 4.820 1.00 64.12 N flip ATOM 0 H ASN A 79 10.028 10.414 4.231 1.00 44.12 H new ATOM 0 HA ASN A 79 11.966 11.980 5.784 1.00 62.23 H new ATOM 0 HB2 ASN A 79 9.099 11.084 6.354 1.00 41.32 H new ATOM 0 HB3 ASN A 79 10.019 12.216 7.325 1.00 41.32 H new ATOM 0 HD21 ASN A 79 11.156 13.558 4.884 1.00 64.12 H new ATOM 0 HD22 ASN A 79 9.797 14.487 4.243 1.00 64.12 H new ATOM 1348 N PHE A 80 12.834 9.477 6.410 1.00 15.23 N ATOM 1349 CA PHE A 80 13.436 8.357 7.177 1.00 33.13 C ATOM 1350 C PHE A 80 14.124 8.838 8.483 1.00 62.44 C ATOM 1351 O PHE A 80 14.538 8.027 9.321 1.00 5.11 O ATOM 1352 CB PHE A 80 14.440 7.577 6.289 1.00 42.52 C ATOM 1353 CG PHE A 80 13.817 6.991 5.021 1.00 4.12 C ATOM 1354 CD1 PHE A 80 12.871 5.972 5.101 1.00 21.52 C ATOM 1355 CD2 PHE A 80 14.188 7.444 3.752 1.00 73.35 C ATOM 1356 CE1 PHE A 80 12.308 5.435 3.957 1.00 24.40 C ATOM 1357 CE2 PHE A 80 13.622 6.905 2.611 1.00 44.20 C ATOM 1358 CZ PHE A 80 12.686 5.898 2.716 1.00 75.34 C ATOM 0 H PHE A 80 13.379 9.748 5.592 1.00 15.23 H new ATOM 0 HA PHE A 80 12.624 7.692 7.471 1.00 33.13 H new ATOM 0 HB2 PHE A 80 15.255 8.243 6.007 1.00 42.52 H new ATOM 0 HB3 PHE A 80 14.877 6.768 6.875 1.00 42.52 H new ATOM 0 HD1 PHE A 80 12.573 5.596 6.069 1.00 21.52 H new ATOM 0 HD2 PHE A 80 14.927 8.226 3.661 1.00 73.35 H new ATOM 0 HE1 PHE A 80 11.570 4.651 4.037 1.00 24.40 H new ATOM 0 HE2 PHE A 80 13.913 7.273 1.638 1.00 44.20 H new ATOM 0 HZ PHE A 80 12.249 5.472 1.825 1.00 75.34 H new ATOM 1368 N LYS A 81 14.263 10.166 8.626 1.00 42.43 N ATOM 1369 CA LYS A 81 14.766 10.806 9.858 1.00 25.00 C ATOM 1370 C LYS A 81 13.757 10.677 11.034 1.00 23.33 C ATOM 1371 O LYS A 81 14.159 10.450 12.182 1.00 62.14 O ATOM 1372 CB LYS A 81 15.111 12.296 9.582 1.00 34.12 C ATOM 1373 CG LYS A 81 13.961 13.131 8.956 1.00 50.21 C ATOM 1374 CD LYS A 81 14.322 14.628 8.787 1.00 54.14 C ATOM 1375 CE LYS A 81 15.522 14.867 7.844 1.00 43.11 C ATOM 1376 NZ LYS A 81 15.907 16.303 7.786 1.00 43.41 N ATOM 0 H LYS A 81 14.029 10.831 7.889 1.00 42.43 H new ATOM 0 HA LYS A 81 15.673 10.283 10.160 1.00 25.00 H new ATOM 0 HB2 LYS A 81 15.410 12.764 10.520 1.00 34.12 H new ATOM 0 HB3 LYS A 81 15.973 12.336 8.916 1.00 34.12 H new ATOM 0 HG2 LYS A 81 13.704 12.713 7.983 1.00 50.21 H new ATOM 0 HG3 LYS A 81 13.074 13.046 9.584 1.00 50.21 H new ATOM 0 HD2 LYS A 81 13.454 15.162 8.401 1.00 54.14 H new ATOM 0 HD3 LYS A 81 14.548 15.052 9.765 1.00 54.14 H new ATOM 0 HE2 LYS A 81 16.373 14.277 8.183 1.00 43.11 H new ATOM 0 HE3 LYS A 81 15.271 14.518 6.842 1.00 43.11 H new ATOM 0 HZ1 LYS A 81 16.716 16.420 7.143 1.00 43.41 H new ATOM 0 HZ2 LYS A 81 15.104 16.864 7.438 1.00 43.41 H new ATOM 0 HZ3 LYS A 81 16.171 16.630 8.737 1.00 43.41 H new ATOM 1390 N THR A 82 12.441 10.821 10.742 1.00 0.00 N ATOM 1391 CA THR A 82 11.367 10.716 11.772 1.00 72.53 C ATOM 1392 C THR A 82 10.835 9.264 11.882 1.00 74.13 C ATOM 1393 O THR A 82 10.580 8.773 12.990 1.00 52.22 O ATOM 1394 CB THR A 82 10.187 11.728 11.506 1.00 4.33 C ATOM 1395 OG1 THR A 82 9.180 11.607 12.528 1.00 74.12 O ATOM 1396 CG2 THR A 82 9.530 11.550 10.126 1.00 62.04 C ATOM 0 H THR A 82 12.093 11.010 9.802 1.00 0.00 H new ATOM 0 HA THR A 82 11.817 10.988 12.727 1.00 72.53 H new ATOM 0 HB THR A 82 10.634 12.722 11.528 1.00 4.33 H new ATOM 0 HG1 THR A 82 8.455 12.242 12.350 1.00 74.12 H new ATOM 0 HG21 THR A 82 8.727 12.277 10.009 1.00 62.04 H new ATOM 0 HG22 THR A 82 10.275 11.704 9.346 1.00 62.04 H new ATOM 0 HG23 THR A 82 9.122 10.543 10.045 1.00 62.04 H new ATOM 1404 N SER A 83 10.676 8.583 10.725 1.00 12.42 N ATOM 1405 CA SER A 83 10.328 7.137 10.662 1.00 42.31 C ATOM 1406 C SER A 83 11.348 6.393 9.782 1.00 5.42 C ATOM 1407 O SER A 83 11.222 6.409 8.548 1.00 55.32 O ATOM 1408 CB SER A 83 8.901 6.904 10.110 1.00 15.35 C ATOM 1409 OG SER A 83 7.919 7.366 11.012 1.00 30.55 O ATOM 0 H SER A 83 10.784 9.015 9.808 1.00 12.42 H new ATOM 0 HA SER A 83 10.357 6.749 11.680 1.00 42.31 H new ATOM 0 HB2 SER A 83 8.790 7.417 9.155 1.00 15.35 H new ATOM 0 HB3 SER A 83 8.752 5.841 9.920 1.00 15.35 H new ATOM 0 HG SER A 83 7.367 6.613 11.308 1.00 30.55 H new ATOM 1415 N PRO A 84 12.388 5.741 10.393 1.00 75.23 N ATOM 1416 CA PRO A 84 13.418 4.995 9.631 1.00 23.44 C ATOM 1417 C PRO A 84 12.843 3.755 8.924 1.00 75.13 C ATOM 1418 O PRO A 84 11.842 3.165 9.367 1.00 72.12 O ATOM 1419 CB PRO A 84 14.458 4.607 10.713 1.00 23.41 C ATOM 1420 CG PRO A 84 13.662 4.559 11.983 1.00 14.13 C ATOM 1421 CD PRO A 84 12.645 5.676 11.859 1.00 73.22 C ATOM 0 HA PRO A 84 13.845 5.589 8.823 1.00 23.44 H new ATOM 0 HB2 PRO A 84 14.920 3.644 10.495 1.00 23.41 H new ATOM 0 HB3 PRO A 84 15.263 5.340 10.774 1.00 23.41 H new ATOM 0 HG2 PRO A 84 13.172 3.593 12.104 1.00 14.13 H new ATOM 0 HG3 PRO A 84 14.301 4.704 12.854 1.00 14.13 H new ATOM 0 HD2 PRO A 84 11.735 5.456 12.418 1.00 73.22 H new ATOM 0 HD3 PRO A 84 13.034 6.619 12.242 1.00 73.22 H new ATOM 1429 N LEU A 85 13.483 3.368 7.817 1.00 54.30 N ATOM 1430 CA LEU A 85 13.061 2.217 7.023 1.00 51.25 C ATOM 1431 C LEU A 85 13.520 0.893 7.693 1.00 44.14 C ATOM 1432 O LEU A 85 14.716 0.728 7.970 1.00 5.05 O ATOM 1433 CB LEU A 85 13.635 2.326 5.593 1.00 50.13 C ATOM 1434 CG LEU A 85 13.077 1.291 4.577 1.00 21.31 C ATOM 1435 CD1 LEU A 85 11.550 1.465 4.393 1.00 24.14 C ATOM 1436 CD2 LEU A 85 13.821 1.376 3.230 1.00 33.22 C ATOM 0 H LEU A 85 14.306 3.844 7.449 1.00 54.30 H new ATOM 0 HA LEU A 85 11.972 2.210 6.967 1.00 51.25 H new ATOM 0 HB2 LEU A 85 13.435 3.328 5.214 1.00 50.13 H new ATOM 0 HB3 LEU A 85 14.718 2.214 5.644 1.00 50.13 H new ATOM 0 HG LEU A 85 13.250 0.294 4.982 1.00 21.31 H new ATOM 0 HD11 LEU A 85 11.184 0.729 3.677 1.00 24.14 H new ATOM 0 HD12 LEU A 85 11.049 1.321 5.350 1.00 24.14 H new ATOM 0 HD13 LEU A 85 11.340 2.468 4.022 1.00 24.14 H new ATOM 0 HD21 LEU A 85 13.409 0.640 2.540 1.00 33.22 H new ATOM 0 HD22 LEU A 85 13.701 2.375 2.810 1.00 33.22 H new ATOM 0 HD23 LEU A 85 14.881 1.173 3.386 1.00 33.22 H new ATOM 1448 N PRO A 86 12.580 -0.062 7.976 1.00 1.15 N ATOM 1449 CA PRO A 86 12.934 -1.389 8.505 1.00 25.40 C ATOM 1450 C PRO A 86 13.355 -2.366 7.375 1.00 13.04 C ATOM 1451 O PRO A 86 12.985 -2.188 6.206 1.00 71.02 O ATOM 1452 CB PRO A 86 11.632 -1.831 9.212 1.00 31.32 C ATOM 1453 CG PRO A 86 10.527 -1.188 8.426 1.00 50.41 C ATOM 1454 CD PRO A 86 11.112 0.068 7.789 1.00 42.23 C ATOM 0 HA PRO A 86 13.795 -1.374 9.174 1.00 25.40 H new ATOM 0 HB2 PRO A 86 11.534 -2.917 9.216 1.00 31.32 H new ATOM 0 HB3 PRO A 86 11.618 -1.506 10.252 1.00 31.32 H new ATOM 0 HG2 PRO A 86 10.149 -1.868 7.663 1.00 50.41 H new ATOM 0 HG3 PRO A 86 9.687 -0.937 9.074 1.00 50.41 H new ATOM 0 HD2 PRO A 86 10.852 0.134 6.733 1.00 42.23 H new ATOM 0 HD3 PRO A 86 10.730 0.969 8.268 1.00 42.23 H new ATOM 1462 N ASP A 87 14.126 -3.398 7.756 1.00 14.53 N ATOM 1463 CA ASP A 87 14.719 -4.388 6.822 1.00 33.41 C ATOM 1464 C ASP A 87 13.644 -5.169 6.024 1.00 2.13 C ATOM 1465 O ASP A 87 13.888 -5.584 4.889 1.00 33.44 O ATOM 1466 CB ASP A 87 15.629 -5.360 7.611 1.00 75.25 C ATOM 1467 CG ASP A 87 16.771 -4.635 8.348 1.00 31.11 C ATOM 1468 OD1 ASP A 87 16.501 -3.983 9.378 1.00 53.13 O ATOM 1469 OD2 ASP A 87 17.933 -4.684 7.886 1.00 42.11 O ATOM 0 H ASP A 87 14.362 -3.576 8.732 1.00 14.53 H new ATOM 0 HA ASP A 87 15.312 -3.842 6.089 1.00 33.41 H new ATOM 0 HB2 ASP A 87 15.027 -5.910 8.334 1.00 75.25 H new ATOM 0 HB3 ASP A 87 16.052 -6.094 6.925 1.00 75.25 H new ATOM 1474 N LYS A 88 12.457 -5.338 6.634 1.00 43.23 N ATOM 1475 CA LYS A 88 11.279 -5.978 5.991 1.00 73.32 C ATOM 1476 C LYS A 88 10.775 -5.212 4.727 1.00 3.54 C ATOM 1477 O LYS A 88 10.153 -5.814 3.848 1.00 42.33 O ATOM 1478 CB LYS A 88 10.130 -6.127 7.030 1.00 63.50 C ATOM 1479 CG LYS A 88 9.702 -4.802 7.707 1.00 22.30 C ATOM 1480 CD LYS A 88 8.564 -4.966 8.745 1.00 34.31 C ATOM 1481 CE LYS A 88 7.247 -5.474 8.128 1.00 35.14 C ATOM 1482 NZ LYS A 88 6.147 -5.492 9.118 1.00 2.04 N ATOM 0 H LYS A 88 12.280 -5.035 7.592 1.00 43.23 H new ATOM 0 HA LYS A 88 11.599 -6.961 5.645 1.00 73.32 H new ATOM 0 HB2 LYS A 88 9.263 -6.564 6.534 1.00 63.50 H new ATOM 0 HB3 LYS A 88 10.444 -6.830 7.802 1.00 63.50 H new ATOM 0 HG2 LYS A 88 10.569 -4.361 8.199 1.00 22.30 H new ATOM 0 HG3 LYS A 88 9.380 -4.100 6.938 1.00 22.30 H new ATOM 0 HD2 LYS A 88 8.886 -5.661 9.520 1.00 34.31 H new ATOM 0 HD3 LYS A 88 8.384 -4.007 9.231 1.00 34.31 H new ATOM 0 HE2 LYS A 88 6.970 -4.837 7.288 1.00 35.14 H new ATOM 0 HE3 LYS A 88 7.395 -6.478 7.731 1.00 35.14 H new ATOM 0 HZ1 LYS A 88 5.276 -5.137 8.675 1.00 2.04 H new ATOM 0 HZ2 LYS A 88 5.995 -6.466 9.450 1.00 2.04 H new ATOM 0 HZ3 LYS A 88 6.397 -4.886 9.925 1.00 2.04 H new ATOM 1496 N TRP A 89 11.009 -3.880 4.661 1.00 23.44 N ATOM 1497 CA TRP A 89 10.655 -3.050 3.469 1.00 12.30 C ATOM 1498 C TRP A 89 11.903 -2.527 2.722 1.00 51.24 C ATOM 1499 O TRP A 89 11.785 -1.990 1.618 1.00 14.14 O ATOM 1500 CB TRP A 89 9.731 -1.870 3.876 1.00 44.32 C ATOM 1501 CG TRP A 89 8.437 -2.323 4.518 1.00 20.42 C ATOM 1502 CD1 TRP A 89 8.056 -2.161 5.817 1.00 23.14 C ATOM 1503 CD2 TRP A 89 7.365 -3.049 3.880 1.00 51.33 C ATOM 1504 NE1 TRP A 89 6.837 -2.741 6.026 1.00 71.12 N ATOM 1505 CE2 TRP A 89 6.390 -3.291 4.856 1.00 1.13 C ATOM 1506 CE3 TRP A 89 7.142 -3.518 2.579 1.00 62.41 C ATOM 1507 CZ2 TRP A 89 5.214 -3.979 4.578 1.00 11.34 C ATOM 1508 CZ3 TRP A 89 5.975 -4.198 2.302 1.00 0.51 C ATOM 1509 CH2 TRP A 89 5.024 -4.427 3.298 1.00 24.23 C ATOM 0 H TRP A 89 11.442 -3.350 5.417 1.00 23.44 H new ATOM 0 HA TRP A 89 10.117 -3.700 2.779 1.00 12.30 H new ATOM 0 HB2 TRP A 89 10.265 -1.220 4.569 1.00 44.32 H new ATOM 0 HB3 TRP A 89 9.502 -1.274 2.992 1.00 44.32 H new ATOM 0 HD1 TRP A 89 8.634 -1.648 6.571 1.00 23.14 H new ATOM 0 HE1 TRP A 89 6.338 -2.761 6.915 1.00 71.12 H new ATOM 0 HE3 TRP A 89 7.874 -3.349 1.803 1.00 62.41 H new ATOM 0 HZ2 TRP A 89 4.475 -4.154 5.346 1.00 11.34 H new ATOM 0 HZ3 TRP A 89 5.794 -4.559 1.300 1.00 0.51 H new ATOM 0 HH2 TRP A 89 4.121 -4.968 3.054 1.00 24.23 H new ATOM 1520 N ALA A 90 13.100 -2.723 3.309 1.00 54.04 N ATOM 1521 CA ALA A 90 14.383 -2.264 2.712 1.00 42.45 C ATOM 1522 C ALA A 90 14.849 -3.135 1.510 1.00 32.21 C ATOM 1523 O ALA A 90 15.916 -2.887 0.933 1.00 32.33 O ATOM 1524 CB ALA A 90 15.459 -2.203 3.804 1.00 74.45 C ATOM 0 H ALA A 90 13.212 -3.200 4.204 1.00 54.04 H new ATOM 0 HA ALA A 90 14.217 -1.268 2.303 1.00 42.45 H new ATOM 0 HB1 ALA A 90 16.400 -1.867 3.369 1.00 74.45 H new ATOM 0 HB2 ALA A 90 15.149 -1.505 4.582 1.00 74.45 H new ATOM 0 HB3 ALA A 90 15.593 -3.194 4.238 1.00 74.45 H new ATOM 1530 N ASN A 91 14.050 -4.156 1.147 1.00 70.15 N ATOM 1531 CA ASN A 91 14.266 -4.966 -0.080 1.00 23.03 C ATOM 1532 C ASN A 91 12.917 -5.259 -0.802 1.00 42.33 C ATOM 1533 O ASN A 91 12.835 -6.150 -1.656 1.00 24.32 O ATOM 1534 CB ASN A 91 15.032 -6.266 0.278 1.00 63.41 C ATOM 1535 CG ASN A 91 14.300 -7.150 1.287 1.00 55.33 C ATOM 1536 OD1 ASN A 91 13.542 -8.036 0.924 1.00 2.34 O ATOM 1537 ND2 ASN A 91 14.524 -6.914 2.563 1.00 24.54 N ATOM 0 H ASN A 91 13.237 -4.447 1.690 1.00 70.15 H new ATOM 0 HA ASN A 91 14.877 -4.397 -0.781 1.00 23.03 H new ATOM 0 HB2 ASN A 91 15.207 -6.838 -0.634 1.00 63.41 H new ATOM 0 HB3 ASN A 91 16.010 -6.002 0.681 1.00 63.41 H new ATOM 0 HD21 ASN A 91 14.060 -7.478 3.275 1.00 24.54 H new ATOM 0 HD22 ASN A 91 15.162 -6.168 2.839 1.00 24.54 H new ATOM 1544 N SER A 92 11.881 -4.461 -0.471 1.00 74.41 N ATOM 1545 CA SER A 92 10.531 -4.566 -1.079 1.00 45.40 C ATOM 1546 C SER A 92 10.424 -3.753 -2.386 1.00 42.53 C ATOM 1547 O SER A 92 10.787 -2.567 -2.423 1.00 40.32 O ATOM 1548 CB SER A 92 9.462 -4.059 -0.081 1.00 41.23 C ATOM 1549 OG SER A 92 8.177 -3.944 -0.683 1.00 73.24 O ATOM 0 H SER A 92 11.954 -3.722 0.228 1.00 74.41 H new ATOM 0 HA SER A 92 10.361 -5.617 -1.314 1.00 45.40 H new ATOM 0 HB2 SER A 92 9.405 -4.743 0.766 1.00 41.23 H new ATOM 0 HB3 SER A 92 9.765 -3.089 0.312 1.00 41.23 H new ATOM 0 HG SER A 92 7.929 -4.800 -1.091 1.00 73.24 H new ATOM 1555 N LYS A 93 9.916 -4.404 -3.452 1.00 35.44 N ATOM 1556 CA LYS A 93 9.559 -3.728 -4.716 1.00 65.01 C ATOM 1557 C LYS A 93 8.316 -2.829 -4.512 1.00 40.24 C ATOM 1558 O LYS A 93 8.286 -1.693 -4.977 1.00 21.34 O ATOM 1559 CB LYS A 93 9.280 -4.763 -5.839 1.00 32.30 C ATOM 1560 CG LYS A 93 8.989 -4.131 -7.222 1.00 30.43 C ATOM 1561 CD LYS A 93 8.568 -5.165 -8.285 1.00 10.25 C ATOM 1562 CE LYS A 93 8.326 -4.521 -9.664 1.00 10.42 C ATOM 1563 NZ LYS A 93 7.909 -5.516 -10.678 1.00 24.35 N ATOM 0 H LYS A 93 9.742 -5.409 -3.461 1.00 35.44 H new ATOM 0 HA LYS A 93 10.404 -3.109 -5.017 1.00 65.01 H new ATOM 0 HB2 LYS A 93 10.140 -5.427 -5.928 1.00 32.30 H new ATOM 0 HB3 LYS A 93 8.430 -5.380 -5.547 1.00 32.30 H new ATOM 0 HG2 LYS A 93 8.200 -3.387 -7.116 1.00 30.43 H new ATOM 0 HG3 LYS A 93 9.879 -3.605 -7.568 1.00 30.43 H new ATOM 0 HD2 LYS A 93 9.342 -5.928 -8.373 1.00 10.25 H new ATOM 0 HD3 LYS A 93 7.659 -5.670 -7.958 1.00 10.25 H new ATOM 0 HE2 LYS A 93 7.559 -3.752 -9.575 1.00 10.42 H new ATOM 0 HE3 LYS A 93 9.238 -4.025 -9.997 1.00 10.42 H new ATOM 0 HZ1 LYS A 93 7.757 -5.040 -11.590 1.00 24.35 H new ATOM 0 HZ2 LYS A 93 8.652 -6.237 -10.783 1.00 24.35 H new ATOM 0 HZ3 LYS A 93 7.025 -5.972 -10.374 1.00 24.35 H new ATOM 1577 N LEU A 94 7.312 -3.374 -3.786 1.00 64.44 N ATOM 1578 CA LEU A 94 6.015 -2.704 -3.486 1.00 1.24 C ATOM 1579 C LEU A 94 6.188 -1.275 -2.918 1.00 1.41 C ATOM 1580 O LEU A 94 5.508 -0.331 -3.344 1.00 21.14 O ATOM 1581 CB LEU A 94 5.248 -3.559 -2.451 1.00 34.42 C ATOM 1582 CG LEU A 94 3.896 -2.977 -1.929 1.00 55.34 C ATOM 1583 CD1 LEU A 94 2.762 -3.119 -2.966 1.00 61.20 C ATOM 1584 CD2 LEU A 94 3.524 -3.600 -0.576 1.00 25.34 C ATOM 0 H LEU A 94 7.377 -4.309 -3.383 1.00 64.44 H new ATOM 0 HA LEU A 94 5.469 -2.615 -4.425 1.00 1.24 H new ATOM 0 HB2 LEU A 94 5.050 -4.535 -2.894 1.00 34.42 H new ATOM 0 HB3 LEU A 94 5.901 -3.724 -1.594 1.00 34.42 H new ATOM 0 HG LEU A 94 4.033 -1.907 -1.775 1.00 55.34 H new ATOM 0 HD11 LEU A 94 1.842 -2.701 -2.558 1.00 61.20 H new ATOM 0 HD12 LEU A 94 3.032 -2.584 -3.876 1.00 61.20 H new ATOM 0 HD13 LEU A 94 2.610 -4.173 -3.197 1.00 61.20 H new ATOM 0 HD21 LEU A 94 2.579 -3.181 -0.230 1.00 25.34 H new ATOM 0 HD22 LEU A 94 3.423 -4.680 -0.688 1.00 25.34 H new ATOM 0 HD23 LEU A 94 4.306 -3.382 0.152 1.00 25.34 H new ATOM 1596 N LEU A 95 7.093 -1.152 -1.934 1.00 35.21 N ATOM 1597 CA LEU A 95 7.444 0.132 -1.293 1.00 73.14 C ATOM 1598 C LEU A 95 7.923 1.178 -2.331 1.00 13.33 C ATOM 1599 O LEU A 95 7.501 2.339 -2.316 1.00 32.30 O ATOM 1600 CB LEU A 95 8.567 -0.101 -0.256 1.00 73.42 C ATOM 1601 CG LEU A 95 9.077 1.178 0.476 1.00 65.13 C ATOM 1602 CD1 LEU A 95 8.040 1.707 1.492 1.00 1.15 C ATOM 1603 CD2 LEU A 95 10.456 0.941 1.114 1.00 31.02 C ATOM 0 H LEU A 95 7.608 -1.947 -1.555 1.00 35.21 H new ATOM 0 HA LEU A 95 6.548 0.519 -0.807 1.00 73.14 H new ATOM 0 HB2 LEU A 95 8.207 -0.808 0.492 1.00 73.42 H new ATOM 0 HB3 LEU A 95 9.411 -0.572 -0.759 1.00 73.42 H new ATOM 0 HG LEU A 95 9.203 1.961 -0.271 1.00 65.13 H new ATOM 0 HD11 LEU A 95 8.432 2.599 1.981 1.00 1.15 H new ATOM 0 HD12 LEU A 95 7.115 1.956 0.972 1.00 1.15 H new ATOM 0 HD13 LEU A 95 7.840 0.940 2.241 1.00 1.15 H new ATOM 0 HD21 LEU A 95 10.785 1.850 1.617 1.00 31.02 H new ATOM 0 HD22 LEU A 95 10.387 0.130 1.839 1.00 31.02 H new ATOM 0 HD23 LEU A 95 11.175 0.675 0.339 1.00 31.02 H new ATOM 1615 N LYS A 96 8.815 0.729 -3.224 1.00 54.24 N ATOM 1616 CA LYS A 96 9.424 1.577 -4.266 1.00 62.25 C ATOM 1617 C LYS A 96 8.401 1.938 -5.368 1.00 62.44 C ATOM 1618 O LYS A 96 8.448 3.036 -5.911 1.00 35.23 O ATOM 1619 CB LYS A 96 10.675 0.870 -4.843 1.00 5.52 C ATOM 1620 CG LYS A 96 11.732 0.544 -3.762 1.00 23.22 C ATOM 1621 CD LYS A 96 12.994 -0.149 -4.319 1.00 42.13 C ATOM 1622 CE LYS A 96 14.045 -0.420 -3.223 1.00 1.44 C ATOM 1623 NZ LYS A 96 15.245 -1.109 -3.764 1.00 35.14 N ATOM 0 H LYS A 96 9.138 -0.238 -3.247 1.00 54.24 H new ATOM 0 HA LYS A 96 9.739 2.520 -3.818 1.00 62.25 H new ATOM 0 HB2 LYS A 96 10.370 -0.053 -5.336 1.00 5.52 H new ATOM 0 HB3 LYS A 96 11.126 1.505 -5.606 1.00 5.52 H new ATOM 0 HG2 LYS A 96 12.025 1.468 -3.263 1.00 23.22 H new ATOM 0 HG3 LYS A 96 11.280 -0.097 -3.006 1.00 23.22 H new ATOM 0 HD2 LYS A 96 12.711 -1.091 -4.789 1.00 42.13 H new ATOM 0 HD3 LYS A 96 13.435 0.475 -5.096 1.00 42.13 H new ATOM 0 HE2 LYS A 96 14.343 0.523 -2.765 1.00 1.44 H new ATOM 0 HE3 LYS A 96 13.600 -1.030 -2.436 1.00 1.44 H new ATOM 0 HZ1 LYS A 96 15.927 -1.273 -2.996 1.00 35.14 H new ATOM 0 HZ2 LYS A 96 14.965 -2.021 -4.178 1.00 35.14 H new ATOM 0 HZ3 LYS A 96 15.685 -0.516 -4.497 1.00 35.14 H new ATOM 1637 N GLN A 97 7.464 1.005 -5.655 1.00 73.05 N ATOM 1638 CA GLN A 97 6.302 1.245 -6.552 1.00 14.15 C ATOM 1639 C GLN A 97 5.374 2.342 -5.972 1.00 13.02 C ATOM 1640 O GLN A 97 4.820 3.153 -6.714 1.00 75.44 O ATOM 1641 CB GLN A 97 5.485 -0.071 -6.751 1.00 53.10 C ATOM 1642 CG GLN A 97 6.227 -1.213 -7.477 1.00 74.24 C ATOM 1643 CD GLN A 97 6.508 -0.923 -8.953 1.00 34.31 C ATOM 1644 OE1 GLN A 97 5.699 -1.215 -9.827 1.00 72.53 O ATOM 1645 NE2 GLN A 97 7.646 -0.335 -9.245 1.00 34.31 N ATOM 0 H GLN A 97 7.490 0.060 -5.271 1.00 73.05 H new ATOM 0 HA GLN A 97 6.688 1.580 -7.515 1.00 14.15 H new ATOM 0 HB2 GLN A 97 5.168 -0.432 -5.773 1.00 53.10 H new ATOM 0 HB3 GLN A 97 4.581 0.165 -7.312 1.00 53.10 H new ATOM 0 HG2 GLN A 97 7.171 -1.403 -6.967 1.00 74.24 H new ATOM 0 HG3 GLN A 97 5.635 -2.125 -7.401 1.00 74.24 H new ATOM 0 HE21 GLN A 97 8.304 -0.101 -8.502 1.00 34.31 H new ATOM 0 HE22 GLN A 97 7.871 -0.112 -10.215 1.00 34.31 H new ATOM 1654 N LEU A 98 5.214 2.330 -4.631 1.00 73.20 N ATOM 1655 CA LEU A 98 4.409 3.327 -3.883 1.00 32.35 C ATOM 1656 C LEU A 98 5.058 4.734 -3.942 1.00 33.21 C ATOM 1657 O LEU A 98 4.361 5.745 -4.022 1.00 31.33 O ATOM 1658 CB LEU A 98 4.246 2.863 -2.406 1.00 52.12 C ATOM 1659 CG LEU A 98 3.340 3.750 -1.492 1.00 21.32 C ATOM 1660 CD1 LEU A 98 1.878 3.766 -1.997 1.00 71.33 C ATOM 1661 CD2 LEU A 98 3.436 3.296 -0.016 1.00 14.12 C ATOM 0 H LEU A 98 5.642 1.625 -4.031 1.00 73.20 H new ATOM 0 HA LEU A 98 3.426 3.399 -4.349 1.00 32.35 H new ATOM 0 HB2 LEU A 98 3.841 1.851 -2.409 1.00 52.12 H new ATOM 0 HB3 LEU A 98 5.237 2.808 -1.954 1.00 52.12 H new ATOM 0 HG LEU A 98 3.706 4.775 -1.544 1.00 21.32 H new ATOM 0 HD11 LEU A 98 1.273 4.391 -1.340 1.00 71.33 H new ATOM 0 HD12 LEU A 98 1.847 4.167 -3.010 1.00 71.33 H new ATOM 0 HD13 LEU A 98 1.482 2.751 -1.997 1.00 71.33 H new ATOM 0 HD21 LEU A 98 2.797 3.928 0.601 1.00 14.12 H new ATOM 0 HD22 LEU A 98 3.111 2.259 0.068 1.00 14.12 H new ATOM 0 HD23 LEU A 98 4.468 3.381 0.324 1.00 14.12 H new ATOM 1673 N GLN A 99 6.401 4.767 -3.891 1.00 54.01 N ATOM 1674 CA GLN A 99 7.203 6.010 -4.014 1.00 3.34 C ATOM 1675 C GLN A 99 7.163 6.582 -5.454 1.00 22.00 C ATOM 1676 O GLN A 99 7.048 7.802 -5.640 1.00 71.41 O ATOM 1677 CB GLN A 99 8.659 5.718 -3.572 1.00 53.10 C ATOM 1678 CG GLN A 99 8.802 5.401 -2.070 1.00 40.51 C ATOM 1679 CD GLN A 99 10.195 4.937 -1.657 1.00 43.44 C ATOM 1680 OE1 GLN A 99 11.194 5.270 -2.282 1.00 61.11 O ATOM 1681 NE2 GLN A 99 10.273 4.187 -0.581 1.00 51.41 N ATOM 0 H GLN A 99 6.970 3.930 -3.763 1.00 54.01 H new ATOM 0 HA GLN A 99 6.770 6.771 -3.364 1.00 3.34 H new ATOM 0 HB2 GLN A 99 9.042 4.877 -4.149 1.00 53.10 H new ATOM 0 HB3 GLN A 99 9.282 6.580 -3.813 1.00 53.10 H new ATOM 0 HG2 GLN A 99 8.543 6.291 -1.496 1.00 40.51 H new ATOM 0 HG3 GLN A 99 8.080 4.629 -1.803 1.00 40.51 H new ATOM 0 HE21 GLN A 99 9.424 3.925 -0.080 1.00 51.41 H new ATOM 0 HE22 GLN A 99 11.182 3.867 -0.247 1.00 51.41 H new ATOM 1690 N GLU A 100 7.265 5.687 -6.457 1.00 30.33 N ATOM 1691 CA GLU A 100 7.106 6.037 -7.896 1.00 55.02 C ATOM 1692 C GLU A 100 5.714 6.662 -8.150 1.00 34.00 C ATOM 1693 O GLU A 100 5.595 7.717 -8.776 1.00 11.31 O ATOM 1694 CB GLU A 100 7.293 4.762 -8.770 1.00 31.13 C ATOM 1695 CG GLU A 100 8.743 4.230 -8.820 1.00 40.32 C ATOM 1696 CD GLU A 100 8.880 2.815 -9.417 1.00 32.34 C ATOM 1697 OE1 GLU A 100 8.438 2.597 -10.571 1.00 61.11 O ATOM 1698 OE2 GLU A 100 9.452 1.916 -8.752 1.00 14.25 O ATOM 0 H GLU A 100 7.460 4.698 -6.299 1.00 30.33 H new ATOM 0 HA GLU A 100 7.865 6.770 -8.168 1.00 55.02 H new ATOM 0 HB2 GLU A 100 6.643 3.975 -8.387 1.00 31.13 H new ATOM 0 HB3 GLU A 100 6.964 4.981 -9.786 1.00 31.13 H new ATOM 0 HG2 GLU A 100 9.350 4.919 -9.407 1.00 40.32 H new ATOM 0 HG3 GLU A 100 9.151 4.226 -7.809 1.00 40.32 H new ATOM 1705 N PHE A 101 4.683 5.988 -7.610 1.00 54.35 N ATOM 1706 CA PHE A 101 3.277 6.448 -7.626 1.00 2.15 C ATOM 1707 C PHE A 101 3.128 7.837 -6.948 1.00 63.03 C ATOM 1708 O PHE A 101 2.536 8.753 -7.523 1.00 33.24 O ATOM 1709 CB PHE A 101 2.400 5.378 -6.910 1.00 73.33 C ATOM 1710 CG PHE A 101 0.938 5.764 -6.698 1.00 11.03 C ATOM 1711 CD1 PHE A 101 0.021 5.715 -7.749 1.00 22.32 C ATOM 1712 CD2 PHE A 101 0.485 6.198 -5.448 1.00 42.41 C ATOM 1713 CE1 PHE A 101 -1.297 6.083 -7.556 1.00 43.12 C ATOM 1714 CE2 PHE A 101 -0.829 6.570 -5.261 1.00 64.21 C ATOM 1715 CZ PHE A 101 -1.719 6.516 -6.314 1.00 63.22 C ATOM 0 H PHE A 101 4.803 5.091 -7.140 1.00 54.35 H new ATOM 0 HA PHE A 101 2.946 6.565 -8.658 1.00 2.15 H new ATOM 0 HB2 PHE A 101 2.434 4.457 -7.491 1.00 73.33 H new ATOM 0 HB3 PHE A 101 2.845 5.159 -5.939 1.00 73.33 H new ATOM 0 HD1 PHE A 101 0.345 5.385 -8.725 1.00 22.32 H new ATOM 0 HD2 PHE A 101 1.174 6.242 -4.618 1.00 42.41 H new ATOM 0 HE1 PHE A 101 -1.997 6.032 -8.377 1.00 43.12 H new ATOM 0 HE2 PHE A 101 -1.162 6.904 -4.289 1.00 64.21 H new ATOM 0 HZ PHE A 101 -2.747 6.813 -6.167 1.00 63.22 H new ATOM 1725 N SER A 102 3.735 7.972 -5.745 1.00 73.01 N ATOM 1726 CA SER A 102 3.614 9.170 -4.857 1.00 24.21 C ATOM 1727 C SER A 102 3.974 10.508 -5.562 1.00 74.20 C ATOM 1728 O SER A 102 3.480 11.571 -5.176 1.00 25.15 O ATOM 1729 CB SER A 102 4.501 8.978 -3.595 1.00 74.52 C ATOM 1730 OG SER A 102 4.411 10.074 -2.688 1.00 62.44 O ATOM 0 H SER A 102 4.333 7.245 -5.352 1.00 73.01 H new ATOM 0 HA SER A 102 2.563 9.246 -4.577 1.00 24.21 H new ATOM 0 HB2 SER A 102 4.204 8.063 -3.083 1.00 74.52 H new ATOM 0 HB3 SER A 102 5.539 8.850 -3.902 1.00 74.52 H new ATOM 0 HG SER A 102 4.985 9.904 -1.912 1.00 62.44 H new ATOM 1736 N GLU A 103 4.813 10.441 -6.611 1.00 53.11 N ATOM 1737 CA GLU A 103 5.265 11.636 -7.361 1.00 63.30 C ATOM 1738 C GLU A 103 4.191 12.159 -8.366 1.00 10.14 C ATOM 1739 O GLU A 103 3.951 13.372 -8.454 1.00 60.23 O ATOM 1740 CB GLU A 103 6.595 11.314 -8.101 1.00 64.24 C ATOM 1741 CG GLU A 103 7.716 10.775 -7.182 1.00 31.24 C ATOM 1742 CD GLU A 103 9.086 10.674 -7.880 1.00 31.54 C ATOM 1743 OE1 GLU A 103 9.384 9.629 -8.502 1.00 62.24 O ATOM 1744 OE2 GLU A 103 9.877 11.645 -7.809 1.00 63.25 O ATOM 0 H GLU A 103 5.197 9.565 -6.964 1.00 53.11 H new ATOM 0 HA GLU A 103 5.428 12.436 -6.638 1.00 63.30 H new ATOM 0 HB2 GLU A 103 6.395 10.579 -8.881 1.00 64.24 H new ATOM 0 HB3 GLU A 103 6.950 12.217 -8.597 1.00 64.24 H new ATOM 0 HG2 GLU A 103 7.807 11.426 -6.313 1.00 31.24 H new ATOM 0 HG3 GLU A 103 7.431 9.789 -6.814 1.00 31.24 H new ATOM 1751 N ASN A 104 3.534 11.239 -9.097 1.00 14.33 N ATOM 1752 CA ASN A 104 2.638 11.591 -10.251 1.00 52.52 C ATOM 1753 C ASN A 104 1.155 11.184 -10.039 1.00 70.21 C ATOM 1754 O ASN A 104 0.352 11.223 -10.982 1.00 61.24 O ATOM 1755 CB ASN A 104 3.204 10.940 -11.535 1.00 73.24 C ATOM 1756 CG ASN A 104 3.436 9.433 -11.390 1.00 64.54 C ATOM 1757 OD1 ASN A 104 2.546 8.620 -11.634 1.00 3.01 O ATOM 1758 ND2 ASN A 104 4.635 9.056 -10.984 1.00 74.22 N ATOM 0 H ASN A 104 3.598 10.237 -8.919 1.00 14.33 H new ATOM 0 HA ASN A 104 2.630 12.677 -10.339 1.00 52.52 H new ATOM 0 HB2 ASN A 104 2.515 11.118 -12.360 1.00 73.24 H new ATOM 0 HB3 ASN A 104 4.145 11.423 -11.796 1.00 73.24 H new ATOM 0 HD21 ASN A 104 4.845 8.065 -10.864 1.00 74.22 H new ATOM 0 HD22 ASN A 104 5.351 9.756 -10.790 1.00 74.22 H new ATOM 1765 N LYS A 105 0.798 10.832 -8.795 1.00 15.05 N ATOM 1766 CA LYS A 105 -0.557 10.302 -8.447 1.00 62.54 C ATOM 1767 C LYS A 105 -1.730 11.309 -8.608 1.00 3.12 C ATOM 1768 O LYS A 105 -2.896 10.898 -8.634 1.00 3.23 O ATOM 1769 CB LYS A 105 -0.542 9.650 -7.029 1.00 14.42 C ATOM 1770 CG LYS A 105 0.250 10.382 -5.911 1.00 72.34 C ATOM 1771 CD LYS A 105 -0.513 11.520 -5.222 1.00 15.11 C ATOM 1772 CE LYS A 105 0.313 12.179 -4.100 1.00 33.52 C ATOM 1773 NZ LYS A 105 -0.419 13.280 -3.442 1.00 10.13 N ATOM 0 H LYS A 105 1.427 10.901 -7.995 1.00 15.05 H new ATOM 0 HA LYS A 105 -0.767 9.538 -9.195 1.00 62.54 H new ATOM 0 HB2 LYS A 105 -1.575 9.545 -6.696 1.00 14.42 H new ATOM 0 HB3 LYS A 105 -0.135 8.644 -7.126 1.00 14.42 H new ATOM 0 HG2 LYS A 105 0.545 9.652 -5.157 1.00 72.34 H new ATOM 0 HG3 LYS A 105 1.167 10.786 -6.340 1.00 72.34 H new ATOM 0 HD2 LYS A 105 -0.784 12.273 -5.962 1.00 15.11 H new ATOM 0 HD3 LYS A 105 -1.443 11.132 -4.806 1.00 15.11 H new ATOM 0 HE2 LYS A 105 0.579 11.427 -3.357 1.00 33.52 H new ATOM 0 HE3 LYS A 105 1.246 12.562 -4.514 1.00 33.52 H new ATOM 0 HZ1 LYS A 105 0.214 13.770 -2.778 1.00 10.13 H new ATOM 0 HZ2 LYS A 105 -0.754 13.953 -4.161 1.00 10.13 H new ATOM 0 HZ3 LYS A 105 -1.233 12.894 -2.923 1.00 10.13 H new ATOM 1787 N GLU A 106 -1.426 12.611 -8.692 1.00 10.21 N ATOM 1788 CA GLU A 106 -2.434 13.674 -8.979 1.00 61.31 C ATOM 1789 C GLU A 106 -2.072 14.452 -10.262 1.00 11.40 C ATOM 1790 O GLU A 106 -2.750 15.414 -10.629 1.00 42.34 O ATOM 1791 CB GLU A 106 -2.522 14.649 -7.776 1.00 52.24 C ATOM 1792 CG GLU A 106 -2.924 13.981 -6.450 1.00 11.23 C ATOM 1793 CD GLU A 106 -2.882 14.942 -5.253 1.00 42.33 C ATOM 1794 OE1 GLU A 106 -1.778 15.401 -4.894 1.00 10.12 O ATOM 1795 OE2 GLU A 106 -3.945 15.252 -4.676 1.00 51.14 O ATOM 0 H GLU A 106 -0.480 12.970 -8.565 1.00 10.21 H new ATOM 0 HA GLU A 106 -3.402 13.197 -9.134 1.00 61.31 H new ATOM 0 HB2 GLU A 106 -1.555 15.136 -7.646 1.00 52.24 H new ATOM 0 HB3 GLU A 106 -3.244 15.431 -8.009 1.00 52.24 H new ATOM 0 HG2 GLU A 106 -3.931 13.574 -6.546 1.00 11.23 H new ATOM 0 HG3 GLU A 106 -2.257 13.141 -6.257 1.00 11.23 H new ATOM 1802 N LYS A 107 -1.001 14.011 -10.944 1.00 74.33 N ATOM 1803 CA LYS A 107 -0.443 14.686 -12.140 1.00 4.31 C ATOM 1804 C LYS A 107 -0.596 13.821 -13.416 1.00 32.12 C ATOM 1805 O LYS A 107 -0.035 14.140 -14.472 1.00 3.53 O ATOM 1806 CB LYS A 107 1.042 15.022 -11.885 1.00 1.21 C ATOM 1807 CG LYS A 107 1.283 15.873 -10.622 1.00 54.51 C ATOM 1808 CD LYS A 107 2.736 16.385 -10.486 1.00 42.04 C ATOM 1809 CE LYS A 107 3.108 17.498 -11.502 1.00 12.13 C ATOM 1810 NZ LYS A 107 3.223 17.006 -12.905 1.00 41.01 N ATOM 0 H LYS A 107 -0.490 13.168 -10.682 1.00 74.33 H new ATOM 0 HA LYS A 107 -1.005 15.604 -12.311 1.00 4.31 H new ATOM 0 HB2 LYS A 107 1.605 14.093 -11.798 1.00 1.21 H new ATOM 0 HB3 LYS A 107 1.438 15.554 -12.750 1.00 1.21 H new ATOM 0 HG2 LYS A 107 0.606 16.727 -10.635 1.00 54.51 H new ATOM 0 HG3 LYS A 107 1.032 15.281 -9.742 1.00 54.51 H new ATOM 0 HD2 LYS A 107 2.884 16.765 -9.475 1.00 42.04 H new ATOM 0 HD3 LYS A 107 3.420 15.546 -10.614 1.00 42.04 H new ATOM 0 HE2 LYS A 107 2.353 18.284 -11.461 1.00 12.13 H new ATOM 0 HE3 LYS A 107 4.055 17.949 -11.205 1.00 12.13 H new ATOM 0 HZ1 LYS A 107 4.043 17.453 -13.363 1.00 41.01 H new ATOM 0 HZ2 LYS A 107 3.348 15.974 -12.902 1.00 41.01 H new ATOM 0 HZ3 LYS A 107 2.358 17.248 -13.430 1.00 41.01 H new ATOM 1824 N GLU A 108 -1.371 12.733 -13.298 1.00 43.43 N ATOM 1825 CA GLU A 108 -1.650 11.782 -14.401 1.00 4.55 C ATOM 1826 C GLU A 108 -2.876 12.225 -15.250 1.00 43.42 C ATOM 1827 O GLU A 108 -3.341 13.368 -15.148 1.00 52.40 O ATOM 1828 CB GLU A 108 -1.891 10.377 -13.784 1.00 71.42 C ATOM 1829 CG GLU A 108 -3.065 10.318 -12.784 1.00 62.42 C ATOM 1830 CD GLU A 108 -3.327 8.903 -12.256 1.00 12.13 C ATOM 1831 OE1 GLU A 108 -4.108 8.154 -12.890 1.00 54.14 O ATOM 1832 OE2 GLU A 108 -2.729 8.516 -11.227 1.00 1.13 O ATOM 0 H GLU A 108 -1.831 12.479 -12.424 1.00 43.43 H new ATOM 0 HA GLU A 108 -0.794 11.758 -15.076 1.00 4.55 H new ATOM 0 HB2 GLU A 108 -2.078 9.666 -14.589 1.00 71.42 H new ATOM 0 HB3 GLU A 108 -0.981 10.054 -13.278 1.00 71.42 H new ATOM 0 HG2 GLU A 108 -2.854 10.981 -11.945 1.00 62.42 H new ATOM 0 HG3 GLU A 108 -3.967 10.693 -13.268 1.00 62.42 H new ATOM 1839 N ILE A 109 -3.375 11.301 -16.105 1.00 53.14 N ATOM 1840 CA ILE A 109 -4.621 11.489 -16.886 1.00 74.10 C ATOM 1841 C ILE A 109 -5.825 11.807 -15.962 1.00 42.51 C ATOM 1842 O ILE A 109 -6.962 11.996 -16.416 1.00 44.22 O ATOM 1843 CB ILE A 109 -4.945 10.209 -17.751 1.00 1.33 C ATOM 1844 CG1 ILE A 109 -5.102 8.944 -16.834 1.00 75.15 C ATOM 1845 CG2 ILE A 109 -3.863 9.988 -18.843 1.00 15.20 C ATOM 1846 CD1 ILE A 109 -5.484 7.667 -17.565 1.00 11.32 C ATOM 0 H ILE A 109 -2.924 10.402 -16.273 1.00 53.14 H new ATOM 0 HA ILE A 109 -4.458 12.337 -17.551 1.00 74.10 H new ATOM 0 HB ILE A 109 -5.895 10.371 -18.259 1.00 1.33 H new ATOM 0 HG12 ILE A 109 -4.163 8.777 -16.307 1.00 75.15 H new ATOM 0 HG13 ILE A 109 -5.859 9.153 -16.078 1.00 75.15 H new ATOM 0 HG21 ILE A 109 -4.110 9.100 -19.425 1.00 15.20 H new ATOM 0 HG22 ILE A 109 -3.828 10.856 -19.502 1.00 15.20 H new ATOM 0 HG23 ILE A 109 -2.891 9.853 -18.370 1.00 15.20 H new ATOM 0 HD11 ILE A 109 -5.569 6.849 -16.849 1.00 11.32 H new ATOM 0 HD12 ILE A 109 -6.440 7.808 -18.069 1.00 11.32 H new ATOM 0 HD13 ILE A 109 -4.717 7.426 -18.302 1.00 11.32 H new TER 1858 ILE A 109