USER MOD reduce.3.24.130724 H: found=0, std=0, add=1125, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 1125 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 112 MET CE :methyl 173:sc= -0.227 (180deg=-0.31) USER MOD Set 1.2: A 143 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 67 ASN : amide:sc= 1.26 K(o=2.1,f=-4.4) USER MOD Set 2.2: A 79 LYS NZ :NH3+ 149:sc= 0.877 (180deg=-0.113) USER MOD Set 3.1: A 64 GLN : amide:sc= 0.952 X(o=1.6,f=1.4) USER MOD Set 3.2: A 69 HIS : no HD1:sc= 0.677 K(o=1.6,f=-7.5!) USER MOD Set 4.1: A 31 GLN : amide:sc= 0.748 K(o=0.75,f=-1.3) USER MOD Set 4.2: A 35 ASN : amide:sc= -0.0034 K(o=0.75,f=-0.48) USER MOD Set 5.1: A 16 MET CE :methyl 164:sc= -0.0238 (180deg=-0.339) USER MOD Set 5.2: A 30 MET CE :methyl -161:sc= -0.0238 (180deg=-0.362) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.0196 K(o=-0.02,f=-0.73) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0.764 K(o=0.76,f=0) USER MOD Single : A 24 ASN : amide:sc= 0.502 K(o=0.5,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 1.13 K(o=1.1,f=-0.0066) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.399 X(o=-0.4,f=-0.82) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0232) USER MOD Single : A 66 MET CE :methyl 165:sc=-0.00982 (180deg=-0.279) USER MOD Single : A 70 HIS : no HD1:sc= 0.676 K(o=0.68,f=-5!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl -177:sc= -0.224 (180deg=-0.27) USER MOD Single : A 80 HIS : no HD1:sc= 0.201 K(o=0.2,f=-5.6!) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN : amide:sc= -0.15 X(o=-0.15,f=0) USER MOD Single : A 94 LYS NZ :NH3+ -144:sc= 0.0757 (180deg=0) USER MOD Single : A 95 HIS : no HD1:sc= -2.86! C(o=-2.9!,f=-5.9!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 GLN :FLIP amide:sc= -0.748 F(o=-2.2,f=-0.75) USER MOD Single : A 111 THR OG1 : rot 160:sc= 0.474 USER MOD Single : A 114 ASN : amide:sc= 0.561 K(o=0.56,f=-0.76) USER MOD Single : A 117 MET CE :methyl -166:sc=-0.00726 (180deg=-0.275) USER MOD Single : A 120 LYS NZ :NH3+ -162:sc= 0.924 (180deg=0.762) USER MOD Single : A 124 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 125 LYS NZ :NH3+ -165:sc= 0.882 (180deg=0.753) USER MOD Single : A 131 THR OG1 : rot 180:sc= -0.141 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 7.254 -16.538 3.653 1.00 71.32 N ATOM 2 CA SER A 1 8.403 -15.636 3.252 1.00 43.05 C ATOM 3 C SER A 1 8.822 -15.755 1.788 1.00 54.41 C ATOM 4 O SER A 1 9.005 -14.754 1.094 1.00 52.31 O ATOM 5 CB SER A 1 9.610 -15.940 4.191 1.00 63.01 C ATOM 6 OG SER A 1 10.726 -15.082 3.947 1.00 64.42 O ATOM 0 H1 SER A 1 7.035 -16.394 4.659 1.00 71.32 H new ATOM 0 H2 SER A 1 6.417 -16.309 3.080 1.00 71.32 H new ATOM 0 H3 SER A 1 7.521 -17.531 3.495 1.00 71.32 H new ATOM 0 HA SER A 1 8.060 -14.607 3.360 1.00 43.05 H new ATOM 0 HB2 SER A 1 9.294 -15.833 5.229 1.00 63.01 H new ATOM 0 HB3 SER A 1 9.918 -16.977 4.057 1.00 63.01 H new ATOM 0 HG SER A 1 11.455 -15.311 4.561 1.00 64.42 H new ATOM 14 N LYS A 2 8.948 -16.999 1.266 1.00 10.12 N ATOM 15 CA LYS A 2 9.567 -17.322 -0.010 1.00 10.03 C ATOM 16 C LYS A 2 8.875 -16.714 -1.210 1.00 51.33 C ATOM 17 O LYS A 2 9.513 -16.184 -2.114 1.00 63.54 O ATOM 18 CB LYS A 2 9.616 -18.858 -0.212 1.00 35.11 C ATOM 19 CG LYS A 2 10.544 -19.595 0.767 1.00 63.03 C ATOM 20 CD LYS A 2 12.016 -19.208 0.565 1.00 73.30 C ATOM 21 CE LYS A 2 12.987 -20.138 1.290 1.00 40.35 C ATOM 22 NZ LYS A 2 14.374 -19.707 1.032 1.00 13.53 N ATOM 0 H LYS A 2 8.603 -17.826 1.753 1.00 10.12 H new ATOM 0 HA LYS A 2 10.567 -16.891 0.044 1.00 10.03 H new ATOM 0 HB2 LYS A 2 8.607 -19.259 -0.110 1.00 35.11 H new ATOM 0 HB3 LYS A 2 9.941 -19.069 -1.231 1.00 35.11 H new ATOM 0 HG2 LYS A 2 10.246 -19.367 1.790 1.00 63.03 H new ATOM 0 HG3 LYS A 2 10.430 -20.671 0.634 1.00 63.03 H new ATOM 0 HD2 LYS A 2 12.244 -19.215 -0.501 1.00 73.30 H new ATOM 0 HD3 LYS A 2 12.169 -18.188 0.917 1.00 73.30 H new ATOM 0 HE2 LYS A 2 12.786 -20.126 2.361 1.00 40.35 H new ATOM 0 HE3 LYS A 2 12.845 -21.164 0.950 1.00 40.35 H new ATOM 0 HZ1 LYS A 2 15.033 -20.342 1.527 1.00 13.53 H new ATOM 0 HZ2 LYS A 2 14.563 -19.740 0.010 1.00 13.53 H new ATOM 0 HZ3 LYS A 2 14.505 -18.735 1.377 1.00 13.53 H new ATOM 36 N GLU A 3 7.531 -16.765 -1.222 1.00 13.33 N ATOM 37 CA GLU A 3 6.700 -16.222 -2.286 1.00 3.14 C ATOM 38 C GLU A 3 6.213 -14.822 -1.995 1.00 41.10 C ATOM 39 O GLU A 3 5.358 -14.279 -2.690 1.00 53.22 O ATOM 40 CB GLU A 3 5.492 -17.150 -2.592 1.00 63.54 C ATOM 41 CG GLU A 3 5.915 -18.543 -3.122 1.00 54.54 C ATOM 42 CD GLU A 3 4.712 -19.442 -3.410 1.00 53.10 C ATOM 43 OE1 GLU A 3 4.529 -19.816 -4.597 1.00 12.32 O ATOM 44 OE2 GLU A 3 3.983 -19.772 -2.439 1.00 42.30 O ATOM 0 H GLU A 3 6.991 -17.196 -0.472 1.00 13.33 H new ATOM 0 HA GLU A 3 7.340 -16.169 -3.166 1.00 3.14 H new ATOM 0 HB2 GLU A 3 4.900 -17.277 -1.685 1.00 63.54 H new ATOM 0 HB3 GLU A 3 4.848 -16.668 -3.328 1.00 63.54 H new ATOM 0 HG2 GLU A 3 6.501 -18.421 -4.033 1.00 54.54 H new ATOM 0 HG3 GLU A 3 6.561 -19.027 -2.390 1.00 54.54 H new ATOM 51 N VAL A 4 6.767 -14.218 -0.936 1.00 22.25 N ATOM 52 CA VAL A 4 6.366 -12.900 -0.450 1.00 41.51 C ATOM 53 C VAL A 4 7.504 -11.958 -0.792 1.00 64.40 C ATOM 54 O VAL A 4 7.342 -10.922 -1.432 1.00 22.11 O ATOM 55 CB VAL A 4 6.214 -12.822 1.071 1.00 23.20 C ATOM 56 CG1 VAL A 4 5.712 -11.432 1.526 1.00 33.24 C ATOM 57 CG2 VAL A 4 5.395 -13.976 1.660 1.00 50.53 C ATOM 0 H VAL A 4 7.516 -14.640 -0.388 1.00 22.25 H new ATOM 0 HA VAL A 4 5.404 -12.661 -0.903 1.00 41.51 H new ATOM 0 HB VAL A 4 7.214 -12.947 1.486 1.00 23.20 H new ATOM 0 HG11 VAL A 4 5.617 -11.417 2.612 1.00 33.24 H new ATOM 0 HG12 VAL A 4 6.424 -10.668 1.213 1.00 33.24 H new ATOM 0 HG13 VAL A 4 4.741 -11.230 1.074 1.00 33.24 H new ATOM 0 HG21 VAL A 4 5.327 -13.859 2.742 1.00 50.53 H new ATOM 0 HG22 VAL A 4 4.393 -13.968 1.230 1.00 50.53 H new ATOM 0 HG23 VAL A 4 5.882 -14.923 1.428 1.00 50.53 H new ATOM 67 N MET A 5 8.696 -12.361 -0.298 1.00 50.54 N ATOM 68 CA MET A 5 9.969 -11.696 -0.258 1.00 3.34 C ATOM 69 C MET A 5 9.963 -10.325 0.404 1.00 31.23 C ATOM 70 O MET A 5 10.715 -9.427 0.029 1.00 23.54 O ATOM 71 CB MET A 5 10.623 -11.612 -1.666 1.00 54.12 C ATOM 72 CG MET A 5 10.923 -12.983 -2.301 1.00 53.50 C ATOM 73 SD MET A 5 11.701 -12.854 -3.941 1.00 34.15 S ATOM 74 CE MET A 5 11.805 -14.646 -4.212 1.00 31.33 C ATOM 0 H MET A 5 8.770 -13.283 0.132 1.00 50.54 H new ATOM 0 HA MET A 5 10.576 -12.332 0.387 1.00 3.34 H new ATOM 0 HB2 MET A 5 9.963 -11.053 -2.329 1.00 54.12 H new ATOM 0 HB3 MET A 5 11.552 -11.047 -1.591 1.00 54.12 H new ATOM 0 HG2 MET A 5 11.578 -13.548 -1.638 1.00 53.50 H new ATOM 0 HG3 MET A 5 9.995 -13.547 -2.389 1.00 53.50 H new ATOM 0 HE1 MET A 5 12.262 -14.841 -5.182 1.00 31.33 H new ATOM 0 HE2 MET A 5 12.412 -15.098 -3.428 1.00 31.33 H new ATOM 0 HE3 MET A 5 10.804 -15.076 -4.189 1.00 31.33 H new ATOM 84 N LYS A 6 9.133 -10.145 1.453 1.00 43.23 N ATOM 85 CA LYS A 6 9.089 -8.926 2.224 1.00 62.53 C ATOM 86 C LYS A 6 8.967 -9.348 3.675 1.00 62.31 C ATOM 87 O LYS A 6 8.292 -10.330 3.979 1.00 14.42 O ATOM 88 CB LYS A 6 7.898 -8.024 1.802 1.00 63.30 C ATOM 89 CG LYS A 6 7.813 -6.650 2.495 1.00 21.40 C ATOM 90 CD LYS A 6 8.983 -5.715 2.134 1.00 10.11 C ATOM 91 CE LYS A 6 8.830 -4.311 2.720 1.00 13.24 C ATOM 92 NZ LYS A 6 9.965 -3.469 2.294 1.00 54.52 N ATOM 0 H LYS A 6 8.478 -10.858 1.775 1.00 43.23 H new ATOM 0 HA LYS A 6 9.987 -8.330 2.058 1.00 62.53 H new ATOM 0 HB2 LYS A 6 7.953 -7.863 0.725 1.00 63.30 H new ATOM 0 HB3 LYS A 6 6.972 -8.565 1.996 1.00 63.30 H new ATOM 0 HG2 LYS A 6 6.874 -6.169 2.220 1.00 21.40 H new ATOM 0 HG3 LYS A 6 7.793 -6.796 3.575 1.00 21.40 H new ATOM 0 HD2 LYS A 6 9.914 -6.153 2.493 1.00 10.11 H new ATOM 0 HD3 LYS A 6 9.062 -5.643 1.049 1.00 10.11 H new ATOM 0 HE2 LYS A 6 7.891 -3.868 2.388 1.00 13.24 H new ATOM 0 HE3 LYS A 6 8.791 -4.363 3.808 1.00 13.24 H new ATOM 0 HZ1 LYS A 6 9.859 -2.515 2.694 1.00 54.52 H new ATOM 0 HZ2 LYS A 6 10.855 -3.889 2.632 1.00 54.52 H new ATOM 0 HZ3 LYS A 6 9.983 -3.409 1.256 1.00 54.52 H new ATOM 106 N GLN A 7 9.659 -8.645 4.599 1.00 73.23 N ATOM 107 CA GLN A 7 9.722 -8.993 6.005 1.00 55.45 C ATOM 108 C GLN A 7 9.165 -7.866 6.853 1.00 0.43 C ATOM 109 O GLN A 7 9.090 -6.718 6.417 1.00 63.22 O ATOM 110 CB GLN A 7 11.178 -9.321 6.439 1.00 44.14 C ATOM 111 CG GLN A 7 12.185 -8.158 6.267 1.00 10.22 C ATOM 112 CD GLN A 7 13.602 -8.587 6.666 1.00 33.21 C ATOM 113 OE1 GLN A 7 13.839 -9.685 7.173 1.00 33.41 O ATOM 114 NE2 GLN A 7 14.584 -7.679 6.422 1.00 42.45 N ATOM 0 H GLN A 7 10.193 -7.808 4.367 1.00 73.23 H new ATOM 0 HA GLN A 7 9.114 -9.885 6.157 1.00 55.45 H new ATOM 0 HB2 GLN A 7 11.170 -9.624 7.486 1.00 44.14 H new ATOM 0 HB3 GLN A 7 11.530 -10.176 5.862 1.00 44.14 H new ATOM 0 HG2 GLN A 7 12.183 -7.822 5.230 1.00 10.22 H new ATOM 0 HG3 GLN A 7 11.873 -7.311 6.878 1.00 10.22 H new ATOM 0 HE21 GLN A 7 14.353 -6.779 6.001 1.00 42.45 H new ATOM 0 HE22 GLN A 7 15.551 -7.898 6.660 1.00 42.45 H new ATOM 123 N MET A 8 8.741 -8.184 8.095 1.00 15.23 N ATOM 124 CA MET A 8 8.118 -7.241 8.997 1.00 23.12 C ATOM 125 C MET A 8 8.637 -7.505 10.395 1.00 3.21 C ATOM 126 O MET A 8 9.138 -8.588 10.687 1.00 24.03 O ATOM 127 CB MET A 8 6.563 -7.335 8.980 1.00 23.31 C ATOM 128 CG MET A 8 5.922 -8.617 9.570 1.00 62.25 C ATOM 129 SD MET A 8 6.160 -10.157 8.628 1.00 33.42 S ATOM 130 CE MET A 8 5.196 -11.181 9.777 1.00 1.12 C ATOM 0 H MET A 8 8.831 -9.121 8.488 1.00 15.23 H new ATOM 0 HA MET A 8 8.373 -6.233 8.669 1.00 23.12 H new ATOM 0 HB2 MET A 8 6.167 -6.478 9.525 1.00 23.31 H new ATOM 0 HB3 MET A 8 6.230 -7.236 7.947 1.00 23.31 H new ATOM 0 HG2 MET A 8 6.321 -8.766 10.573 1.00 62.25 H new ATOM 0 HG3 MET A 8 4.851 -8.445 9.676 1.00 62.25 H new ATOM 0 HE1 MET A 8 5.181 -12.211 9.422 1.00 1.12 H new ATOM 0 HE2 MET A 8 5.652 -11.145 10.767 1.00 1.12 H new ATOM 0 HE3 MET A 8 4.175 -10.802 9.833 1.00 1.12 H new ATOM 140 N THR A 9 8.562 -6.496 11.294 1.00 63.43 N ATOM 141 CA THR A 9 9.053 -6.602 12.663 1.00 45.21 C ATOM 142 C THR A 9 8.163 -7.409 13.592 1.00 12.21 C ATOM 143 O THR A 9 8.662 -8.197 14.391 1.00 23.03 O ATOM 144 CB THR A 9 9.326 -5.237 13.291 1.00 32.02 C ATOM 145 OG1 THR A 9 8.176 -4.397 13.270 1.00 33.42 O ATOM 146 CG2 THR A 9 10.460 -4.520 12.536 1.00 54.22 C ATOM 0 H THR A 9 8.155 -5.586 11.076 1.00 63.43 H new ATOM 0 HA THR A 9 9.989 -7.150 12.557 1.00 45.21 H new ATOM 0 HB THR A 9 9.608 -5.420 14.328 1.00 32.02 H new ATOM 0 HG1 THR A 9 8.393 -3.535 13.682 1.00 33.42 H new ATOM 0 HG21 THR A 9 10.644 -3.548 12.994 1.00 54.22 H new ATOM 0 HG22 THR A 9 11.367 -5.122 12.585 1.00 54.22 H new ATOM 0 HG23 THR A 9 10.172 -4.381 11.494 1.00 54.22 H new ATOM 154 N ILE A 10 6.826 -7.229 13.516 1.00 64.20 N ATOM 155 CA ILE A 10 5.869 -7.923 14.361 1.00 23.20 C ATOM 156 C ILE A 10 4.751 -8.494 13.510 1.00 74.45 C ATOM 157 O ILE A 10 4.458 -7.998 12.424 1.00 61.03 O ATOM 158 CB ILE A 10 5.287 -7.042 15.477 1.00 75.52 C ATOM 159 CG1 ILE A 10 4.529 -5.795 14.947 1.00 52.05 C ATOM 160 CG2 ILE A 10 6.414 -6.661 16.463 1.00 3.53 C ATOM 161 CD1 ILE A 10 3.806 -4.998 16.040 1.00 55.14 C ATOM 0 H ILE A 10 6.391 -6.587 12.854 1.00 64.20 H new ATOM 0 HA ILE A 10 6.414 -8.726 14.857 1.00 23.20 H new ATOM 0 HB ILE A 10 4.529 -7.624 16.002 1.00 75.52 H new ATOM 0 HG12 ILE A 10 5.237 -5.139 14.441 1.00 52.05 H new ATOM 0 HG13 ILE A 10 3.801 -6.114 14.201 1.00 52.05 H new ATOM 0 HG21 ILE A 10 6.006 -6.036 17.257 1.00 3.53 H new ATOM 0 HG22 ILE A 10 6.840 -7.566 16.896 1.00 3.53 H new ATOM 0 HG23 ILE A 10 7.192 -6.112 15.932 1.00 3.53 H new ATOM 0 HD11 ILE A 10 3.300 -4.143 15.592 1.00 55.14 H new ATOM 0 HD12 ILE A 10 3.072 -5.637 16.531 1.00 55.14 H new ATOM 0 HD13 ILE A 10 4.531 -4.647 16.774 1.00 55.14 H new ATOM 173 N ASN A 11 4.063 -9.547 14.015 1.00 71.25 N ATOM 174 CA ASN A 11 2.992 -10.261 13.323 1.00 41.13 C ATOM 175 C ASN A 11 1.791 -9.376 13.019 1.00 15.41 C ATOM 176 O ASN A 11 1.162 -9.489 11.970 1.00 13.40 O ATOM 177 CB ASN A 11 2.508 -11.486 14.147 1.00 2.10 C ATOM 178 CG ASN A 11 3.601 -12.556 14.169 1.00 3.15 C ATOM 179 OD1 ASN A 11 4.236 -12.834 13.151 1.00 4.41 O ATOM 180 ND2 ASN A 11 3.830 -13.179 15.355 1.00 24.12 N ATOM 0 H ASN A 11 4.253 -9.925 14.943 1.00 71.25 H new ATOM 0 HA ASN A 11 3.424 -10.592 12.378 1.00 41.13 H new ATOM 0 HB2 ASN A 11 2.265 -11.179 15.164 1.00 2.10 H new ATOM 0 HB3 ASN A 11 1.596 -11.893 13.710 1.00 2.10 H new ATOM 0 HD21 ASN A 11 4.547 -13.902 15.421 1.00 24.12 H new ATOM 0 HD22 ASN A 11 3.285 -12.924 16.179 1.00 24.12 H new ATOM 187 N PHE A 12 1.467 -8.450 13.946 1.00 23.11 N ATOM 188 CA PHE A 12 0.371 -7.503 13.852 1.00 44.54 C ATOM 189 C PHE A 12 0.539 -6.490 12.727 1.00 33.02 C ATOM 190 O PHE A 12 -0.434 -5.877 12.297 1.00 63.21 O ATOM 191 CB PHE A 12 0.168 -6.725 15.181 1.00 42.54 C ATOM 192 CG PHE A 12 -0.293 -7.653 16.274 1.00 31.33 C ATOM 193 CD1 PHE A 12 0.625 -8.268 17.145 1.00 21.23 C ATOM 194 CD2 PHE A 12 -1.661 -7.943 16.414 1.00 52.42 C ATOM 195 CE1 PHE A 12 0.184 -9.164 18.128 1.00 22.34 C ATOM 196 CE2 PHE A 12 -2.105 -8.841 17.393 1.00 31.31 C ATOM 197 CZ PHE A 12 -1.181 -9.453 18.249 1.00 15.45 C ATOM 0 H PHE A 12 1.995 -8.350 14.813 1.00 23.11 H new ATOM 0 HA PHE A 12 -0.505 -8.115 13.635 1.00 44.54 H new ATOM 0 HB2 PHE A 12 1.102 -6.245 15.474 1.00 42.54 H new ATOM 0 HB3 PHE A 12 -0.566 -5.932 15.036 1.00 42.54 H new ATOM 0 HD1 PHE A 12 1.678 -8.048 17.055 1.00 21.23 H new ATOM 0 HD2 PHE A 12 -2.377 -7.468 15.760 1.00 52.42 H new ATOM 0 HE1 PHE A 12 0.896 -9.631 18.792 1.00 22.34 H new ATOM 0 HE2 PHE A 12 -3.158 -9.061 17.488 1.00 31.31 H new ATOM 0 HZ PHE A 12 -1.521 -10.148 19.003 1.00 15.45 H new ATOM 207 N ALA A 13 1.768 -6.282 12.207 1.00 51.21 N ATOM 208 CA ALA A 13 2.053 -5.300 11.184 1.00 52.33 C ATOM 209 C ALA A 13 1.353 -5.487 9.862 1.00 14.10 C ATOM 210 O ALA A 13 0.938 -4.501 9.257 1.00 72.43 O ATOM 211 CB ALA A 13 3.559 -5.205 10.928 1.00 40.54 C ATOM 0 H ALA A 13 2.590 -6.809 12.503 1.00 51.21 H new ATOM 0 HA ALA A 13 1.651 -4.378 11.603 1.00 52.33 H new ATOM 0 HB1 ALA A 13 3.750 -4.461 10.155 1.00 40.54 H new ATOM 0 HB2 ALA A 13 4.067 -4.913 11.847 1.00 40.54 H new ATOM 0 HB3 ALA A 13 3.934 -6.174 10.599 1.00 40.54 H new ATOM 217 N LYS A 14 1.194 -6.732 9.358 1.00 74.41 N ATOM 218 CA LYS A 14 0.555 -6.938 8.076 1.00 23.35 C ATOM 219 C LYS A 14 -0.906 -6.507 8.029 1.00 30.53 C ATOM 220 O LYS A 14 -1.239 -5.785 7.086 1.00 55.34 O ATOM 221 CB LYS A 14 0.722 -8.400 7.584 1.00 0.20 C ATOM 222 CG LYS A 14 2.191 -8.779 7.305 1.00 1.42 C ATOM 223 CD LYS A 14 2.866 -7.841 6.286 1.00 50.10 C ATOM 224 CE LYS A 14 4.159 -8.395 5.693 1.00 71.33 C ATOM 225 NZ LYS A 14 4.707 -7.419 4.732 1.00 1.45 N ATOM 0 H LYS A 14 1.500 -7.585 9.825 1.00 74.41 H new ATOM 0 HA LYS A 14 1.079 -6.276 7.387 1.00 23.35 H new ATOM 0 HB2 LYS A 14 0.314 -9.078 8.333 1.00 0.20 H new ATOM 0 HB3 LYS A 14 0.138 -8.540 6.675 1.00 0.20 H new ATOM 0 HG2 LYS A 14 2.751 -8.756 8.240 1.00 1.42 H new ATOM 0 HG3 LYS A 14 2.233 -9.803 6.933 1.00 1.42 H new ATOM 0 HD2 LYS A 14 2.165 -7.637 5.476 1.00 50.10 H new ATOM 0 HD3 LYS A 14 3.080 -6.888 6.771 1.00 50.10 H new ATOM 0 HE2 LYS A 14 4.882 -8.590 6.485 1.00 71.33 H new ATOM 0 HE3 LYS A 14 3.967 -9.346 5.195 1.00 71.33 H new ATOM 0 HZ1 LYS A 14 5.589 -7.791 4.324 1.00 1.45 H new ATOM 0 HZ2 LYS A 14 4.016 -7.255 3.972 1.00 1.45 H new ATOM 0 HZ3 LYS A 14 4.903 -6.523 5.221 1.00 1.45 H new ATOM 239 N PRO A 15 -1.819 -6.807 8.958 1.00 43.23 N ATOM 240 CA PRO A 15 -3.098 -6.119 9.001 1.00 2.31 C ATOM 241 C PRO A 15 -3.012 -4.654 9.411 1.00 71.13 C ATOM 242 O PRO A 15 -3.859 -3.891 8.955 1.00 63.02 O ATOM 243 CB PRO A 15 -3.935 -6.959 9.974 1.00 72.54 C ATOM 244 CG PRO A 15 -2.927 -7.656 10.888 1.00 24.31 C ATOM 245 CD PRO A 15 -1.684 -7.818 10.012 1.00 71.03 C ATOM 0 HA PRO A 15 -3.542 -6.051 8.008 1.00 2.31 H new ATOM 0 HB2 PRO A 15 -4.616 -6.331 10.548 1.00 72.54 H new ATOM 0 HB3 PRO A 15 -4.546 -7.685 9.439 1.00 72.54 H new ATOM 0 HG2 PRO A 15 -2.715 -7.060 11.776 1.00 24.31 H new ATOM 0 HG3 PRO A 15 -3.301 -8.620 11.233 1.00 24.31 H new ATOM 0 HD2 PRO A 15 -0.773 -7.664 10.590 1.00 71.03 H new ATOM 0 HD3 PRO A 15 -1.628 -8.821 9.590 1.00 71.03 H new ATOM 253 N MET A 16 -2.027 -4.192 10.225 1.00 73.33 N ATOM 254 CA MET A 16 -1.915 -2.771 10.528 1.00 11.11 C ATOM 255 C MET A 16 -1.553 -1.891 9.338 1.00 4.54 C ATOM 256 O MET A 16 -2.140 -0.826 9.159 1.00 3.23 O ATOM 257 CB MET A 16 -0.921 -2.496 11.683 1.00 34.42 C ATOM 258 CG MET A 16 -1.431 -2.927 13.072 1.00 1.51 C ATOM 259 SD MET A 16 -0.244 -2.693 14.435 1.00 4.50 S ATOM 260 CE MET A 16 -0.196 -0.877 14.423 1.00 32.14 C ATOM 0 H MET A 16 -1.321 -4.781 10.667 1.00 73.33 H new ATOM 0 HA MET A 16 -2.924 -2.494 10.834 1.00 11.11 H new ATOM 0 HB2 MET A 16 0.014 -3.016 11.474 1.00 34.42 H new ATOM 0 HB3 MET A 16 -0.694 -1.430 11.706 1.00 34.42 H new ATOM 0 HG2 MET A 16 -2.338 -2.366 13.300 1.00 1.51 H new ATOM 0 HG3 MET A 16 -1.710 -3.980 13.030 1.00 1.51 H new ATOM 0 HE1 MET A 16 0.246 -0.519 15.353 1.00 32.14 H new ATOM 0 HE2 MET A 16 0.405 -0.534 13.580 1.00 32.14 H new ATOM 0 HE3 MET A 16 -1.209 -0.487 14.329 1.00 32.14 H new ATOM 270 N GLU A 17 -0.592 -2.308 8.475 1.00 71.14 N ATOM 271 CA GLU A 17 -0.225 -1.558 7.282 1.00 74.52 C ATOM 272 C GLU A 17 -1.328 -1.592 6.243 1.00 52.55 C ATOM 273 O GLU A 17 -1.552 -0.631 5.505 1.00 24.33 O ATOM 274 CB GLU A 17 1.115 -2.048 6.656 1.00 24.34 C ATOM 275 CG GLU A 17 1.112 -3.483 6.071 1.00 0.12 C ATOM 276 CD GLU A 17 2.486 -3.912 5.555 1.00 74.41 C ATOM 277 OE1 GLU A 17 3.422 -4.032 6.387 1.00 1.24 O ATOM 278 OE2 GLU A 17 2.600 -4.147 4.323 1.00 54.31 O ATOM 0 H GLU A 17 -0.062 -3.171 8.600 1.00 71.14 H new ATOM 0 HA GLU A 17 -0.080 -0.527 7.606 1.00 74.52 H new ATOM 0 HB2 GLU A 17 1.396 -1.355 5.863 1.00 24.34 H new ATOM 0 HB3 GLU A 17 1.891 -1.991 7.419 1.00 24.34 H new ATOM 0 HG2 GLU A 17 0.782 -4.183 6.838 1.00 0.12 H new ATOM 0 HG3 GLU A 17 0.389 -3.538 5.257 1.00 0.12 H new ATOM 285 N ALA A 18 -2.083 -2.713 6.187 1.00 42.12 N ATOM 286 CA ALA A 18 -3.257 -2.852 5.361 1.00 15.42 C ATOM 287 C ALA A 18 -4.353 -1.873 5.744 1.00 34.23 C ATOM 288 O ALA A 18 -4.888 -1.167 4.896 1.00 24.51 O ATOM 289 CB ALA A 18 -3.797 -4.285 5.455 1.00 55.33 C ATOM 0 H ALA A 18 -1.872 -3.549 6.732 1.00 42.12 H new ATOM 0 HA ALA A 18 -2.957 -2.629 4.337 1.00 15.42 H new ATOM 0 HB1 ALA A 18 -4.684 -4.382 4.828 1.00 55.33 H new ATOM 0 HB2 ALA A 18 -3.034 -4.985 5.114 1.00 55.33 H new ATOM 0 HB3 ALA A 18 -4.058 -4.508 6.489 1.00 55.33 H new ATOM 295 N CYS A 19 -4.643 -1.732 7.051 1.00 44.40 N ATOM 296 CA CYS A 19 -5.624 -0.804 7.590 1.00 63.22 C ATOM 297 C CYS A 19 -5.169 0.647 7.574 1.00 43.51 C ATOM 298 O CYS A 19 -5.899 1.535 7.999 1.00 62.43 O ATOM 299 CB CYS A 19 -5.983 -1.192 9.035 1.00 74.52 C ATOM 300 SG CYS A 19 -6.832 -2.795 9.082 1.00 42.42 S ATOM 0 H CYS A 19 -4.180 -2.283 7.774 1.00 44.40 H new ATOM 0 HA CYS A 19 -6.493 -0.879 6.936 1.00 63.22 H new ATOM 0 HB2 CYS A 19 -5.077 -1.238 9.639 1.00 74.52 H new ATOM 0 HB3 CYS A 19 -6.621 -0.425 9.474 1.00 74.52 H new ATOM 305 N LYS A 20 -3.947 0.959 7.106 1.00 50.41 N ATOM 306 CA LYS A 20 -3.618 2.329 6.760 1.00 41.11 C ATOM 307 C LYS A 20 -4.014 2.621 5.310 1.00 4.21 C ATOM 308 O LYS A 20 -4.686 3.606 5.006 1.00 65.12 O ATOM 309 CB LYS A 20 -2.108 2.548 7.034 1.00 22.51 C ATOM 310 CG LYS A 20 -1.586 3.995 6.933 1.00 32.25 C ATOM 311 CD LYS A 20 -1.213 4.509 5.536 1.00 5.55 C ATOM 312 CE LYS A 20 0.151 4.030 5.044 1.00 63.11 C ATOM 313 NZ LYS A 20 0.408 4.560 3.690 1.00 43.32 N ATOM 0 H LYS A 20 -3.193 0.287 6.965 1.00 50.41 H new ATOM 0 HA LYS A 20 -4.181 3.034 7.372 1.00 41.11 H new ATOM 0 HB2 LYS A 20 -1.887 2.176 8.034 1.00 22.51 H new ATOM 0 HB3 LYS A 20 -1.543 1.933 6.333 1.00 22.51 H new ATOM 0 HG2 LYS A 20 -2.346 4.658 7.345 1.00 32.25 H new ATOM 0 HG3 LYS A 20 -0.707 4.082 7.571 1.00 32.25 H new ATOM 0 HD2 LYS A 20 -1.977 4.190 4.827 1.00 5.55 H new ATOM 0 HD3 LYS A 20 -1.222 5.599 5.546 1.00 5.55 H new ATOM 0 HE2 LYS A 20 0.932 4.361 5.729 1.00 63.11 H new ATOM 0 HE3 LYS A 20 0.181 2.940 5.030 1.00 63.11 H new ATOM 0 HZ1 LYS A 20 1.338 4.231 3.359 1.00 43.32 H new ATOM 0 HZ2 LYS A 20 -0.330 4.223 3.039 1.00 43.32 H new ATOM 0 HZ3 LYS A 20 0.398 5.600 3.716 1.00 43.32 H new ATOM 327 N GLN A 21 -3.638 1.739 4.355 1.00 51.41 N ATOM 328 CA GLN A 21 -3.858 1.981 2.933 1.00 11.33 C ATOM 329 C GLN A 21 -5.270 1.695 2.458 1.00 24.40 C ATOM 330 O GLN A 21 -5.821 2.437 1.650 1.00 40.41 O ATOM 331 CB GLN A 21 -2.867 1.169 2.076 1.00 11.42 C ATOM 332 CG GLN A 21 -3.097 -0.350 2.147 1.00 52.11 C ATOM 333 CD GLN A 21 -1.888 -1.155 1.713 1.00 1.43 C ATOM 334 OE1 GLN A 21 -1.710 -1.551 0.561 1.00 30.31 O ATOM 335 NE2 GLN A 21 -1.059 -1.475 2.739 1.00 15.34 N ATOM 0 H GLN A 21 -3.179 0.851 4.558 1.00 51.41 H new ATOM 0 HA GLN A 21 -3.692 3.051 2.805 1.00 11.33 H new ATOM 0 HB2 GLN A 21 -2.946 1.492 1.038 1.00 11.42 H new ATOM 0 HB3 GLN A 21 -1.851 1.390 2.402 1.00 11.42 H new ATOM 0 HG2 GLN A 21 -3.361 -0.624 3.168 1.00 52.11 H new ATOM 0 HG3 GLN A 21 -3.946 -0.613 1.517 1.00 52.11 H new ATOM 0 HE21 GLN A 21 -1.249 -1.122 3.677 1.00 15.34 H new ATOM 0 HE22 GLN A 21 -0.246 -2.068 2.572 1.00 15.34 H new ATOM 344 N GLU A 22 -5.900 0.629 3.006 1.00 15.21 N ATOM 345 CA GLU A 22 -7.239 0.117 2.707 1.00 41.12 C ATOM 346 C GLU A 22 -8.265 1.166 2.980 1.00 3.52 C ATOM 347 O GLU A 22 -9.254 1.326 2.270 1.00 33.54 O ATOM 348 CB GLU A 22 -7.562 -1.143 3.525 1.00 20.03 C ATOM 349 CG GLU A 22 -8.906 -1.812 3.153 1.00 52.15 C ATOM 350 CD GLU A 22 -8.955 -2.368 1.726 1.00 12.43 C ATOM 351 OE1 GLU A 22 -8.080 -3.213 1.400 1.00 15.51 O ATOM 352 OE2 GLU A 22 -9.877 -1.975 0.968 1.00 12.44 O ATOM 0 H GLU A 22 -5.441 0.068 3.723 1.00 15.21 H new ATOM 0 HA GLU A 22 -7.258 -0.150 1.650 1.00 41.12 H new ATOM 0 HB2 GLU A 22 -6.759 -1.867 3.389 1.00 20.03 H new ATOM 0 HB3 GLU A 22 -7.580 -0.881 4.583 1.00 20.03 H new ATOM 0 HG2 GLU A 22 -9.102 -2.623 3.854 1.00 52.15 H new ATOM 0 HG3 GLU A 22 -9.708 -1.084 3.275 1.00 52.15 H new ATOM 359 N LEU A 23 -8.013 1.911 4.060 1.00 13.33 N ATOM 360 CA LEU A 23 -8.933 2.890 4.564 1.00 5.34 C ATOM 361 C LEU A 23 -8.664 4.230 3.894 1.00 32.01 C ATOM 362 O LEU A 23 -9.416 5.182 4.082 1.00 24.44 O ATOM 363 CB LEU A 23 -8.745 3.054 6.076 1.00 23.35 C ATOM 364 CG LEU A 23 -8.842 1.751 6.894 1.00 64.14 C ATOM 365 CD1 LEU A 23 -9.091 2.036 8.378 1.00 73.14 C ATOM 366 CD2 LEU A 23 -9.693 0.593 6.375 1.00 4.11 C ATOM 0 H LEU A 23 -7.152 1.838 4.602 1.00 13.33 H new ATOM 0 HA LEU A 23 -9.950 2.560 4.353 1.00 5.34 H new ATOM 0 HB2 LEU A 23 -7.770 3.507 6.258 1.00 23.35 H new ATOM 0 HB3 LEU A 23 -9.495 3.753 6.446 1.00 23.35 H new ATOM 0 HG LEU A 23 -7.845 1.336 6.744 1.00 64.14 H new ATOM 0 HD11 LEU A 23 -9.154 1.095 8.924 1.00 73.14 H new ATOM 0 HD12 LEU A 23 -8.270 2.633 8.777 1.00 73.14 H new ATOM 0 HD13 LEU A 23 -10.026 2.584 8.491 1.00 73.14 H new ATOM 0 HD21 LEU A 23 -9.644 -0.238 7.078 1.00 4.11 H new ATOM 0 HD22 LEU A 23 -10.728 0.920 6.271 1.00 4.11 H new ATOM 0 HD23 LEU A 23 -9.316 0.270 5.405 1.00 4.11 H new ATOM 378 N ASN A 24 -7.566 4.306 3.095 1.00 15.52 N ATOM 379 CA ASN A 24 -7.025 5.471 2.432 1.00 44.14 C ATOM 380 C ASN A 24 -6.692 6.625 3.380 1.00 21.23 C ATOM 381 O ASN A 24 -7.017 7.783 3.121 1.00 62.21 O ATOM 382 CB ASN A 24 -7.988 5.944 1.316 1.00 23.52 C ATOM 383 CG ASN A 24 -8.222 5.015 0.115 1.00 44.44 C ATOM 384 OD1 ASN A 24 -9.180 5.240 -0.629 1.00 51.15 O ATOM 385 ND2 ASN A 24 -7.372 3.986 -0.120 1.00 54.15 N ATOM 0 H ASN A 24 -7.009 3.475 2.897 1.00 15.52 H new ATOM 0 HA ASN A 24 -6.075 5.161 1.996 1.00 44.14 H new ATOM 0 HB2 ASN A 24 -8.956 6.145 1.775 1.00 23.52 H new ATOM 0 HB3 ASN A 24 -7.614 6.894 0.934 1.00 23.52 H new ATOM 0 HD21 ASN A 24 -7.518 3.378 -0.926 1.00 54.15 H new ATOM 0 HD22 ASN A 24 -6.587 3.819 0.509 1.00 54.15 H new ATOM 392 N VAL A 25 -6.016 6.326 4.510 1.00 74.33 N ATOM 393 CA VAL A 25 -5.743 7.275 5.579 1.00 12.05 C ATOM 394 C VAL A 25 -4.249 7.489 5.723 1.00 51.14 C ATOM 395 O VAL A 25 -3.464 6.678 5.234 1.00 63.45 O ATOM 396 CB VAL A 25 -6.350 6.848 6.917 1.00 74.54 C ATOM 397 CG1 VAL A 25 -7.880 6.832 6.790 1.00 61.13 C ATOM 398 CG2 VAL A 25 -5.829 5.466 7.357 1.00 22.24 C ATOM 0 H VAL A 25 -5.643 5.395 4.696 1.00 74.33 H new ATOM 0 HA VAL A 25 -6.220 8.214 5.300 1.00 12.05 H new ATOM 0 HB VAL A 25 -6.052 7.564 7.683 1.00 74.54 H new ATOM 0 HG11 VAL A 25 -8.321 6.529 7.740 1.00 61.13 H new ATOM 0 HG12 VAL A 25 -8.234 7.829 6.528 1.00 61.13 H new ATOM 0 HG13 VAL A 25 -8.173 6.127 6.012 1.00 61.13 H new ATOM 0 HG21 VAL A 25 -6.280 5.194 8.311 1.00 22.24 H new ATOM 0 HG22 VAL A 25 -6.092 4.722 6.605 1.00 22.24 H new ATOM 0 HG23 VAL A 25 -4.745 5.504 7.466 1.00 22.24 H new ATOM 408 N PRO A 26 -3.777 8.571 6.341 1.00 11.43 N ATOM 409 CA PRO A 26 -2.361 8.765 6.614 1.00 74.34 C ATOM 410 C PRO A 26 -1.819 7.873 7.715 1.00 63.22 C ATOM 411 O PRO A 26 -2.558 7.300 8.515 1.00 71.33 O ATOM 412 CB PRO A 26 -2.267 10.252 7.008 1.00 45.23 C ATOM 413 CG PRO A 26 -3.636 10.568 7.601 1.00 1.43 C ATOM 414 CD PRO A 26 -4.569 9.748 6.715 1.00 55.22 C ATOM 0 HA PRO A 26 -1.755 8.499 5.748 1.00 74.34 H new ATOM 0 HB2 PRO A 26 -1.470 10.423 7.732 1.00 45.23 H new ATOM 0 HB3 PRO A 26 -2.052 10.880 6.144 1.00 45.23 H new ATOM 0 HG2 PRO A 26 -3.704 10.272 8.648 1.00 1.43 H new ATOM 0 HG3 PRO A 26 -3.863 11.633 7.556 1.00 1.43 H new ATOM 0 HD2 PRO A 26 -5.476 9.463 7.249 1.00 55.22 H new ATOM 0 HD3 PRO A 26 -4.881 10.313 5.836 1.00 55.22 H new ATOM 422 N ASP A 27 -0.471 7.806 7.772 1.00 25.24 N ATOM 423 CA ASP A 27 0.362 7.054 8.693 1.00 60.13 C ATOM 424 C ASP A 27 0.127 7.547 10.113 1.00 14.24 C ATOM 425 O ASP A 27 0.188 6.793 11.080 1.00 10.31 O ATOM 426 CB ASP A 27 1.849 7.200 8.257 1.00 15.31 C ATOM 427 CG ASP A 27 2.801 6.305 9.051 1.00 3.42 C ATOM 428 OD1 ASP A 27 3.681 6.869 9.750 1.00 1.54 O ATOM 429 OD2 ASP A 27 2.662 5.061 8.943 1.00 11.54 O ATOM 0 H ASP A 27 0.099 8.330 7.108 1.00 25.24 H new ATOM 0 HA ASP A 27 0.105 5.995 8.672 1.00 60.13 H new ATOM 0 HB2 ASP A 27 1.935 6.961 7.197 1.00 15.31 H new ATOM 0 HB3 ASP A 27 2.155 8.240 8.375 1.00 15.31 H new ATOM 434 N ALA A 28 -0.205 8.849 10.219 1.00 21.30 N ATOM 435 CA ALA A 28 -0.553 9.570 11.413 1.00 72.22 C ATOM 436 C ALA A 28 -1.722 8.953 12.160 1.00 72.34 C ATOM 437 O ALA A 28 -1.750 8.951 13.390 1.00 41.11 O ATOM 438 CB ALA A 28 -0.908 11.018 11.037 1.00 60.04 C ATOM 0 H ALA A 28 -0.232 9.451 9.396 1.00 21.30 H new ATOM 0 HA ALA A 28 0.311 9.531 12.077 1.00 72.22 H new ATOM 0 HB1 ALA A 28 -1.173 11.573 11.937 1.00 60.04 H new ATOM 0 HB2 ALA A 28 -0.050 11.491 10.559 1.00 60.04 H new ATOM 0 HB3 ALA A 28 -1.753 11.018 10.348 1.00 60.04 H new ATOM 444 N VAL A 29 -2.737 8.417 11.446 1.00 53.32 N ATOM 445 CA VAL A 29 -3.884 7.871 12.146 1.00 11.13 C ATOM 446 C VAL A 29 -3.678 6.426 12.579 1.00 44.24 C ATOM 447 O VAL A 29 -4.147 6.030 13.640 1.00 63.45 O ATOM 448 CB VAL A 29 -5.192 8.006 11.390 1.00 22.44 C ATOM 449 CG1 VAL A 29 -5.341 9.386 10.714 1.00 34.04 C ATOM 450 CG2 VAL A 29 -5.497 6.838 10.453 1.00 35.32 C ATOM 0 H VAL A 29 -2.773 8.358 10.428 1.00 53.32 H new ATOM 0 HA VAL A 29 -3.966 8.491 13.039 1.00 11.13 H new ATOM 0 HB VAL A 29 -5.971 7.950 12.150 1.00 22.44 H new ATOM 0 HG11 VAL A 29 -6.294 9.432 10.186 1.00 34.04 H new ATOM 0 HG12 VAL A 29 -5.309 10.168 11.473 1.00 34.04 H new ATOM 0 HG13 VAL A 29 -4.526 9.534 10.005 1.00 34.04 H new ATOM 0 HG21 VAL A 29 -6.449 7.013 9.951 1.00 35.32 H new ATOM 0 HG22 VAL A 29 -4.705 6.752 9.709 1.00 35.32 H new ATOM 0 HG23 VAL A 29 -5.555 5.915 11.029 1.00 35.32 H new ATOM 460 N MET A 30 -2.960 5.574 11.800 1.00 14.41 N ATOM 461 CA MET A 30 -2.682 4.209 12.232 1.00 5.32 C ATOM 462 C MET A 30 -1.777 4.168 13.445 1.00 15.12 C ATOM 463 O MET A 30 -1.911 3.303 14.310 1.00 54.31 O ATOM 464 CB MET A 30 -2.082 3.293 11.124 1.00 73.52 C ATOM 465 CG MET A 30 -0.706 3.715 10.567 1.00 33.41 C ATOM 466 SD MET A 30 0.255 2.385 9.772 1.00 50.35 S ATOM 467 CE MET A 30 0.710 1.498 11.291 1.00 72.20 C ATOM 0 H MET A 30 -2.576 5.818 10.887 1.00 14.41 H new ATOM 0 HA MET A 30 -3.664 3.811 12.488 1.00 5.32 H new ATOM 0 HB2 MET A 30 -1.995 2.283 11.524 1.00 73.52 H new ATOM 0 HB3 MET A 30 -2.789 3.249 10.295 1.00 73.52 H new ATOM 0 HG2 MET A 30 -0.856 4.515 9.842 1.00 33.41 H new ATOM 0 HG3 MET A 30 -0.114 4.130 11.383 1.00 33.41 H new ATOM 0 HE1 MET A 30 1.564 0.851 11.092 1.00 72.20 H new ATOM 0 HE2 MET A 30 0.972 2.217 12.067 1.00 72.20 H new ATOM 0 HE3 MET A 30 -0.133 0.894 11.626 1.00 72.20 H new ATOM 477 N GLN A 31 -0.857 5.156 13.568 1.00 23.33 N ATOM 478 CA GLN A 31 0.038 5.247 14.695 1.00 34.04 C ATOM 479 C GLN A 31 -0.652 5.674 15.968 1.00 41.23 C ATOM 480 O GLN A 31 -0.206 5.387 17.076 1.00 74.02 O ATOM 481 CB GLN A 31 1.303 6.087 14.357 1.00 24.20 C ATOM 482 CG GLN A 31 1.183 7.591 14.063 1.00 50.23 C ATOM 483 CD GLN A 31 1.214 8.431 15.330 1.00 72.32 C ATOM 484 OE1 GLN A 31 2.232 8.544 16.017 1.00 43.02 O ATOM 485 NE2 GLN A 31 0.039 9.023 15.648 1.00 32.34 N ATOM 0 H GLN A 31 -0.733 5.898 12.879 1.00 23.33 H new ATOM 0 HA GLN A 31 0.390 4.236 14.902 1.00 34.04 H new ATOM 0 HB2 GLN A 31 1.996 5.976 15.191 1.00 24.20 H new ATOM 0 HB3 GLN A 31 1.773 5.626 13.489 1.00 24.20 H new ATOM 0 HG2 GLN A 31 1.998 7.897 13.407 1.00 50.23 H new ATOM 0 HG3 GLN A 31 0.253 7.781 13.526 1.00 50.23 H new ATOM 0 HE21 GLN A 31 -0.775 8.898 15.046 1.00 32.34 H new ATOM 0 HE22 GLN A 31 -0.033 9.594 16.490 1.00 32.34 H new ATOM 494 N ASP A 32 -1.836 6.305 15.828 1.00 12.23 N ATOM 495 CA ASP A 32 -2.701 6.638 16.943 1.00 23.33 C ATOM 496 C ASP A 32 -3.207 5.414 17.690 1.00 31.15 C ATOM 497 O ASP A 32 -3.295 5.430 18.913 1.00 60.52 O ATOM 498 CB ASP A 32 -3.924 7.473 16.484 1.00 62.51 C ATOM 499 CG ASP A 32 -3.630 8.918 16.107 1.00 10.20 C ATOM 500 OD1 ASP A 32 -2.647 9.495 16.633 1.00 74.33 O ATOM 501 OD2 ASP A 32 -4.456 9.475 15.332 1.00 53.41 O ATOM 0 H ASP A 32 -2.208 6.594 14.923 1.00 12.23 H new ATOM 0 HA ASP A 32 -2.081 7.224 17.621 1.00 23.33 H new ATOM 0 HB2 ASP A 32 -4.378 6.978 15.626 1.00 62.51 H new ATOM 0 HB3 ASP A 32 -4.665 7.468 17.283 1.00 62.51 H new ATOM 506 N PHE A 33 -3.542 4.323 16.973 1.00 31.34 N ATOM 507 CA PHE A 33 -3.956 3.066 17.575 1.00 21.22 C ATOM 508 C PHE A 33 -2.914 2.421 18.456 1.00 30.42 C ATOM 509 O PHE A 33 -3.231 1.943 19.538 1.00 22.15 O ATOM 510 CB PHE A 33 -4.494 2.124 16.464 1.00 72.41 C ATOM 511 CG PHE A 33 -4.678 0.663 16.809 1.00 62.43 C ATOM 512 CD1 PHE A 33 -3.978 -0.294 16.053 1.00 3.10 C ATOM 513 CD2 PHE A 33 -5.435 0.229 17.908 1.00 1.32 C ATOM 514 CE1 PHE A 33 -4.055 -1.655 16.365 1.00 50.01 C ATOM 515 CE2 PHE A 33 -5.547 -1.138 18.201 1.00 41.44 C ATOM 516 CZ PHE A 33 -4.854 -2.081 17.432 1.00 64.15 C ATOM 0 H PHE A 33 -3.529 4.302 15.953 1.00 31.34 H new ATOM 0 HA PHE A 33 -4.763 3.283 18.275 1.00 21.22 H new ATOM 0 HB2 PHE A 33 -5.456 2.514 16.131 1.00 72.41 H new ATOM 0 HB3 PHE A 33 -3.814 2.185 15.614 1.00 72.41 H new ATOM 0 HD1 PHE A 33 -3.372 0.027 15.219 1.00 3.10 H new ATOM 0 HD2 PHE A 33 -5.935 0.954 18.533 1.00 1.32 H new ATOM 0 HE1 PHE A 33 -3.499 -2.376 15.784 1.00 50.01 H new ATOM 0 HE2 PHE A 33 -6.169 -1.464 19.021 1.00 41.44 H new ATOM 0 HZ PHE A 33 -4.936 -3.133 17.662 1.00 64.15 H new ATOM 526 N PHE A 34 -1.640 2.373 18.047 1.00 63.14 N ATOM 527 CA PHE A 34 -0.643 1.836 18.949 1.00 43.11 C ATOM 528 C PHE A 34 -0.300 2.713 20.137 1.00 51.04 C ATOM 529 O PHE A 34 -0.109 2.233 21.254 1.00 40.33 O ATOM 530 CB PHE A 34 0.631 1.415 18.206 1.00 22.04 C ATOM 531 CG PHE A 34 1.566 2.413 17.602 1.00 51.51 C ATOM 532 CD1 PHE A 34 2.619 2.911 18.383 1.00 51.44 C ATOM 533 CD2 PHE A 34 1.566 2.640 16.221 1.00 73.13 C ATOM 534 CE1 PHE A 34 3.681 3.603 17.791 1.00 5.51 C ATOM 535 CE2 PHE A 34 2.661 3.279 15.616 1.00 40.20 C ATOM 536 CZ PHE A 34 3.712 3.770 16.401 1.00 21.20 C ATOM 0 H PHE A 34 -1.297 2.686 17.139 1.00 63.14 H new ATOM 0 HA PHE A 34 -1.124 0.954 19.372 1.00 43.11 H new ATOM 0 HB2 PHE A 34 1.218 0.818 18.904 1.00 22.04 H new ATOM 0 HB3 PHE A 34 0.319 0.750 17.401 1.00 22.04 H new ATOM 0 HD1 PHE A 34 2.610 2.759 19.452 1.00 51.44 H new ATOM 0 HD2 PHE A 34 0.725 2.324 15.621 1.00 73.13 H new ATOM 0 HE1 PHE A 34 4.474 4.007 18.403 1.00 5.51 H new ATOM 0 HE2 PHE A 34 2.693 3.392 14.542 1.00 40.20 H new ATOM 0 HZ PHE A 34 4.545 4.276 15.935 1.00 21.20 H new ATOM 546 N ASN A 35 -0.291 4.038 19.914 1.00 14.52 N ATOM 547 CA ASN A 35 -0.107 5.059 20.926 1.00 70.21 C ATOM 548 C ASN A 35 -1.221 5.105 21.961 1.00 61.15 C ATOM 549 O ASN A 35 -1.007 5.536 23.088 1.00 44.24 O ATOM 550 CB ASN A 35 0.024 6.441 20.265 1.00 11.33 C ATOM 551 CG ASN A 35 1.389 6.607 19.595 1.00 64.04 C ATOM 552 OD1 ASN A 35 2.384 5.975 19.954 1.00 11.32 O ATOM 553 ND2 ASN A 35 1.431 7.528 18.599 1.00 3.30 N ATOM 0 H ASN A 35 -0.418 4.430 18.981 1.00 14.52 H new ATOM 0 HA ASN A 35 0.808 4.793 21.455 1.00 70.21 H new ATOM 0 HB2 ASN A 35 -0.765 6.569 19.524 1.00 11.33 H new ATOM 0 HB3 ASN A 35 -0.113 7.220 21.015 1.00 11.33 H new ATOM 0 HD21 ASN A 35 2.310 7.718 18.117 1.00 3.30 H new ATOM 0 HD22 ASN A 35 0.584 8.030 18.332 1.00 3.30 H new ATOM 560 N PHE A 36 -2.428 4.620 21.607 1.00 2.32 N ATOM 561 CA PHE A 36 -3.625 4.531 22.426 1.00 10.22 C ATOM 562 C PHE A 36 -3.375 3.740 23.700 1.00 1.55 C ATOM 563 O PHE A 36 -3.871 4.076 24.773 1.00 12.44 O ATOM 564 CB PHE A 36 -4.734 3.874 21.555 1.00 74.24 C ATOM 565 CG PHE A 36 -6.072 3.707 22.201 1.00 1.41 C ATOM 566 CD1 PHE A 36 -6.412 2.497 22.828 1.00 40.02 C ATOM 567 CD2 PHE A 36 -7.021 4.734 22.136 1.00 15.24 C ATOM 568 CE1 PHE A 36 -7.691 2.312 23.362 1.00 62.43 C ATOM 569 CE2 PHE A 36 -8.289 4.568 22.697 1.00 13.15 C ATOM 570 CZ PHE A 36 -8.621 3.350 23.294 1.00 43.42 C ATOM 0 H PHE A 36 -2.590 4.256 20.668 1.00 2.32 H new ATOM 0 HA PHE A 36 -3.936 5.525 22.748 1.00 10.22 H new ATOM 0 HB2 PHE A 36 -4.862 4.474 20.654 1.00 74.24 H new ATOM 0 HB3 PHE A 36 -4.383 2.892 21.237 1.00 74.24 H new ATOM 0 HD1 PHE A 36 -5.681 1.705 22.898 1.00 40.02 H new ATOM 0 HD2 PHE A 36 -6.770 5.664 21.647 1.00 15.24 H new ATOM 0 HE1 PHE A 36 -7.957 1.373 23.824 1.00 62.43 H new ATOM 0 HE2 PHE A 36 -9.007 5.375 22.669 1.00 13.15 H new ATOM 0 HZ PHE A 36 -9.609 3.210 23.708 1.00 43.42 H new ATOM 580 N TRP A 37 -2.597 2.645 23.594 1.00 53.13 N ATOM 581 CA TRP A 37 -2.322 1.746 24.693 1.00 41.24 C ATOM 582 C TRP A 37 -1.322 2.327 25.682 1.00 32.41 C ATOM 583 O TRP A 37 -1.183 1.817 26.792 1.00 75.45 O ATOM 584 CB TRP A 37 -1.799 0.394 24.162 1.00 2.44 C ATOM 585 CG TRP A 37 -2.771 -0.247 23.189 1.00 0.25 C ATOM 586 CD1 TRP A 37 -2.570 -0.416 21.850 1.00 32.10 C ATOM 587 CD2 TRP A 37 -4.156 -0.567 23.436 1.00 73.24 C ATOM 588 NE1 TRP A 37 -3.721 -0.859 21.241 1.00 73.43 N ATOM 589 CE2 TRP A 37 -4.713 -0.936 22.194 1.00 61.30 C ATOM 590 CE3 TRP A 37 -4.939 -0.536 24.593 1.00 10.54 C ATOM 591 CZ2 TRP A 37 -6.056 -1.259 22.086 1.00 33.12 C ATOM 592 CZ3 TRP A 37 -6.304 -0.842 24.473 1.00 31.14 C ATOM 593 CH2 TRP A 37 -6.860 -1.181 23.230 1.00 24.21 C ATOM 0 H TRP A 37 -2.143 2.371 22.723 1.00 53.13 H new ATOM 0 HA TRP A 37 -3.263 1.597 25.223 1.00 41.24 H new ATOM 0 HB2 TRP A 37 -0.839 0.545 23.669 1.00 2.44 H new ATOM 0 HB3 TRP A 37 -1.625 -0.282 24.999 1.00 2.44 H new ATOM 0 HD1 TRP A 37 -1.637 -0.228 21.339 1.00 32.10 H new ATOM 0 HE1 TRP A 37 -3.823 -1.091 20.253 1.00 73.43 H new ATOM 0 HE3 TRP A 37 -4.507 -0.284 25.550 1.00 10.54 H new ATOM 0 HZ2 TRP A 37 -6.474 -1.565 21.139 1.00 33.12 H new ATOM 0 HZ3 TRP A 37 -6.935 -0.816 25.349 1.00 31.14 H new ATOM 0 HH2 TRP A 37 -7.918 -1.384 23.155 1.00 24.21 H new ATOM 604 N LYS A 38 -0.610 3.428 25.319 1.00 64.15 N ATOM 605 CA LYS A 38 0.176 4.196 26.278 1.00 70.51 C ATOM 606 C LYS A 38 -0.748 4.830 27.310 1.00 21.01 C ATOM 607 O LYS A 38 -1.718 5.510 26.976 1.00 62.44 O ATOM 608 CB LYS A 38 0.996 5.319 25.591 1.00 51.11 C ATOM 609 CG LYS A 38 1.913 6.154 26.510 1.00 73.41 C ATOM 610 CD LYS A 38 3.040 5.364 27.206 1.00 61.24 C ATOM 611 CE LYS A 38 4.061 4.754 26.243 1.00 24.54 C ATOM 612 NZ LYS A 38 5.137 4.097 27.011 1.00 54.31 N ATOM 0 H LYS A 38 -0.575 3.790 24.366 1.00 64.15 H new ATOM 0 HA LYS A 38 0.871 3.505 26.755 1.00 70.51 H new ATOM 0 HB2 LYS A 38 1.611 4.867 24.813 1.00 51.11 H new ATOM 0 HB3 LYS A 38 0.301 5.996 25.095 1.00 51.11 H new ATOM 0 HG2 LYS A 38 2.362 6.953 25.920 1.00 73.41 H new ATOM 0 HG3 LYS A 38 1.299 6.629 27.275 1.00 73.41 H new ATOM 0 HD2 LYS A 38 3.560 6.027 27.898 1.00 61.24 H new ATOM 0 HD3 LYS A 38 2.596 4.566 27.801 1.00 61.24 H new ATOM 0 HE2 LYS A 38 3.573 4.030 25.590 1.00 24.54 H new ATOM 0 HE3 LYS A 38 4.480 5.530 25.602 1.00 24.54 H new ATOM 0 HZ1 LYS A 38 5.829 3.683 26.354 1.00 54.31 H new ATOM 0 HZ2 LYS A 38 5.610 4.798 27.616 1.00 54.31 H new ATOM 0 HZ3 LYS A 38 4.731 3.346 27.604 1.00 54.31 H new ATOM 626 N GLU A 39 -0.491 4.603 28.617 1.00 12.21 N ATOM 627 CA GLU A 39 -1.501 4.895 29.616 1.00 32.40 C ATOM 628 C GLU A 39 -1.786 6.371 29.814 1.00 73.21 C ATOM 629 O GLU A 39 -0.899 7.202 30.006 1.00 34.42 O ATOM 630 CB GLU A 39 -1.155 4.225 30.969 1.00 64.43 C ATOM 631 CG GLU A 39 0.149 4.713 31.650 1.00 32.32 C ATOM 632 CD GLU A 39 0.441 3.956 32.946 1.00 52.22 C ATOM 633 OE1 GLU A 39 -0.388 4.056 33.888 1.00 2.43 O ATOM 634 OE2 GLU A 39 1.499 3.277 32.999 1.00 54.42 O ATOM 0 H GLU A 39 0.385 4.229 28.982 1.00 12.21 H new ATOM 0 HA GLU A 39 -2.422 4.468 29.219 1.00 32.40 H new ATOM 0 HB2 GLU A 39 -1.985 4.389 31.657 1.00 64.43 H new ATOM 0 HB3 GLU A 39 -1.079 3.149 30.811 1.00 64.43 H new ATOM 0 HG2 GLU A 39 0.985 4.588 30.962 1.00 32.32 H new ATOM 0 HG3 GLU A 39 0.069 5.779 31.864 1.00 32.32 H new ATOM 641 N GLY A 40 -3.089 6.722 29.730 1.00 5.31 N ATOM 642 CA GLY A 40 -3.568 8.086 29.849 1.00 34.10 C ATOM 643 C GLY A 40 -3.494 8.866 28.561 1.00 13.31 C ATOM 644 O GLY A 40 -4.026 9.971 28.497 1.00 21.13 O ATOM 0 H GLY A 40 -3.835 6.044 29.575 1.00 5.31 H new ATOM 0 HA2 GLY A 40 -4.601 8.070 30.196 1.00 34.10 H new ATOM 0 HA3 GLY A 40 -2.984 8.602 30.611 1.00 34.10 H new ATOM 648 N TYR A 41 -2.812 8.343 27.510 1.00 22.24 N ATOM 649 CA TYR A 41 -2.485 9.115 26.324 1.00 3.13 C ATOM 650 C TYR A 41 -3.720 9.518 25.512 1.00 32.11 C ATOM 651 O TYR A 41 -4.645 8.739 25.275 1.00 73.23 O ATOM 652 CB TYR A 41 -1.451 8.356 25.448 1.00 42.21 C ATOM 653 CG TYR A 41 -0.861 9.228 24.381 1.00 52.11 C ATOM 654 CD1 TYR A 41 -1.020 8.960 23.016 1.00 73.51 C ATOM 655 CD2 TYR A 41 -0.122 10.349 24.783 1.00 61.43 C ATOM 656 CE1 TYR A 41 -0.466 9.823 22.059 1.00 61.22 C ATOM 657 CE2 TYR A 41 0.435 11.214 23.831 1.00 11.42 C ATOM 658 CZ TYR A 41 0.258 10.951 22.465 1.00 72.44 C ATOM 659 OH TYR A 41 0.811 11.810 21.493 1.00 60.10 O ATOM 0 H TYR A 41 -2.483 7.378 27.479 1.00 22.24 H new ATOM 0 HA TYR A 41 -2.035 10.047 26.666 1.00 3.13 H new ATOM 0 HB2 TYR A 41 -0.653 7.972 26.083 1.00 42.21 H new ATOM 0 HB3 TYR A 41 -1.933 7.495 24.985 1.00 42.21 H new ATOM 0 HD1 TYR A 41 -1.571 8.087 22.699 1.00 73.51 H new ATOM 0 HD2 TYR A 41 0.019 10.548 25.835 1.00 61.43 H new ATOM 0 HE1 TYR A 41 -0.598 9.617 21.007 1.00 61.22 H new ATOM 0 HE2 TYR A 41 0.998 12.079 24.148 1.00 11.42 H new ATOM 0 HH TYR A 41 1.282 12.546 21.937 1.00 60.10 H new ATOM 669 N GLN A 42 -3.772 10.803 25.099 1.00 10.11 N ATOM 670 CA GLN A 42 -5.001 11.437 24.660 1.00 32.54 C ATOM 671 C GLN A 42 -5.287 11.258 23.191 1.00 64.44 C ATOM 672 O GLN A 42 -5.106 12.154 22.368 1.00 23.04 O ATOM 673 CB GLN A 42 -5.060 12.950 24.991 1.00 22.41 C ATOM 674 CG GLN A 42 -5.021 13.226 26.508 1.00 20.14 C ATOM 675 CD GLN A 42 -3.595 13.448 27.024 1.00 72.24 C ATOM 676 OE1 GLN A 42 -2.963 14.462 26.718 1.00 53.15 O ATOM 677 NE2 GLN A 42 -3.068 12.490 27.826 1.00 34.23 N ATOM 0 H GLN A 42 -2.957 11.415 25.066 1.00 10.11 H new ATOM 0 HA GLN A 42 -5.770 10.915 25.229 1.00 32.54 H new ATOM 0 HB2 GLN A 42 -4.222 13.456 24.511 1.00 22.41 H new ATOM 0 HB3 GLN A 42 -5.972 13.375 24.571 1.00 22.41 H new ATOM 0 HG2 GLN A 42 -5.626 14.105 26.730 1.00 20.14 H new ATOM 0 HG3 GLN A 42 -5.470 12.387 27.039 1.00 20.14 H new ATOM 0 HE21 GLN A 42 -3.617 11.663 28.061 1.00 34.23 H new ATOM 0 HE22 GLN A 42 -2.123 12.597 28.195 1.00 34.23 H new ATOM 686 N ILE A 43 -5.798 10.068 22.845 1.00 63.40 N ATOM 687 CA ILE A 43 -6.272 9.773 21.507 1.00 44.23 C ATOM 688 C ILE A 43 -7.740 10.155 21.393 1.00 14.43 C ATOM 689 O ILE A 43 -8.603 9.647 22.106 1.00 20.44 O ATOM 690 CB ILE A 43 -6.094 8.314 21.172 1.00 53.44 C ATOM 691 CG1 ILE A 43 -4.616 7.883 21.308 1.00 43.11 C ATOM 692 CG2 ILE A 43 -6.635 7.975 19.759 1.00 63.34 C ATOM 693 CD1 ILE A 43 -3.619 8.598 20.390 1.00 42.11 C ATOM 0 H ILE A 43 -5.890 9.288 23.495 1.00 63.40 H new ATOM 0 HA ILE A 43 -5.683 10.355 20.798 1.00 44.23 H new ATOM 0 HB ILE A 43 -6.682 7.749 21.895 1.00 53.44 H new ATOM 0 HG12 ILE A 43 -4.306 8.041 22.341 1.00 43.11 H new ATOM 0 HG13 ILE A 43 -4.552 6.812 21.116 1.00 43.11 H new ATOM 0 HG21 ILE A 43 -6.487 6.914 19.558 1.00 63.34 H new ATOM 0 HG22 ILE A 43 -7.699 8.209 19.711 1.00 63.34 H new ATOM 0 HG23 ILE A 43 -6.100 8.564 19.014 1.00 63.34 H new ATOM 0 HD11 ILE A 43 -2.615 8.214 20.574 1.00 42.11 H new ATOM 0 HD12 ILE A 43 -3.891 8.420 19.349 1.00 42.11 H new ATOM 0 HD13 ILE A 43 -3.641 9.669 20.593 1.00 42.11 H new ATOM 705 N THR A 44 -8.036 11.093 20.472 1.00 23.13 N ATOM 706 CA THR A 44 -9.351 11.686 20.258 1.00 10.31 C ATOM 707 C THR A 44 -9.745 11.606 18.799 1.00 41.41 C ATOM 708 O THR A 44 -10.806 12.083 18.404 1.00 4.33 O ATOM 709 CB THR A 44 -9.439 13.142 20.718 1.00 33.25 C ATOM 710 OG1 THR A 44 -8.495 13.978 20.054 1.00 45.30 O ATOM 711 CG2 THR A 44 -9.178 13.239 22.233 1.00 21.44 C ATOM 0 H THR A 44 -7.331 11.466 19.837 1.00 23.13 H new ATOM 0 HA THR A 44 -10.041 11.104 20.869 1.00 10.31 H new ATOM 0 HB THR A 44 -10.445 13.484 20.473 1.00 33.25 H new ATOM 0 HG1 THR A 44 -8.588 14.898 20.378 1.00 45.30 H new ATOM 0 HG21 THR A 44 -9.244 14.281 22.548 1.00 21.44 H new ATOM 0 HG22 THR A 44 -9.923 12.651 22.769 1.00 21.44 H new ATOM 0 HG23 THR A 44 -8.183 12.855 22.456 1.00 21.44 H new ATOM 719 N ASN A 45 -8.879 11.011 17.949 1.00 60.54 N ATOM 720 CA ASN A 45 -8.995 11.046 16.517 1.00 1.11 C ATOM 721 C ASN A 45 -9.937 9.969 16.060 1.00 72.42 C ATOM 722 O ASN A 45 -9.750 8.794 16.351 1.00 25.12 O ATOM 723 CB ASN A 45 -7.608 10.871 15.863 1.00 11.12 C ATOM 724 CG ASN A 45 -7.657 11.125 14.358 1.00 23.30 C ATOM 725 OD1 ASN A 45 -8.489 11.873 13.842 1.00 50.24 O ATOM 726 ND2 ASN A 45 -6.736 10.454 13.631 1.00 23.33 N ATOM 0 H ASN A 45 -8.067 10.485 18.272 1.00 60.54 H new ATOM 0 HA ASN A 45 -9.394 12.014 16.213 1.00 1.11 H new ATOM 0 HB2 ASN A 45 -6.899 11.558 16.325 1.00 11.12 H new ATOM 0 HB3 ASN A 45 -7.242 9.861 16.050 1.00 11.12 H new ATOM 0 HD21 ASN A 45 -6.713 10.558 12.617 1.00 23.33 H new ATOM 0 HD22 ASN A 45 -6.064 9.844 14.097 1.00 23.33 H new ATOM 733 N ARG A 46 -10.933 10.365 15.255 1.00 40.54 N ATOM 734 CA ARG A 46 -12.010 9.545 14.764 1.00 4.23 C ATOM 735 C ARG A 46 -11.549 8.347 13.970 1.00 71.41 C ATOM 736 O ARG A 46 -12.128 7.268 14.066 1.00 2.12 O ATOM 737 CB ARG A 46 -12.938 10.443 13.940 1.00 41.11 C ATOM 738 CG ARG A 46 -12.280 11.081 12.707 1.00 44.23 C ATOM 739 CD ARG A 46 -13.204 12.139 12.098 1.00 24.12 C ATOM 740 NE ARG A 46 -13.201 13.379 12.956 1.00 43.22 N ATOM 741 CZ ARG A 46 -14.237 13.756 13.768 1.00 52.23 C ATOM 742 NH1 ARG A 46 -15.377 13.013 13.841 1.00 12.33 N ATOM 743 NH2 ARG A 46 -14.108 14.884 14.524 1.00 13.33 N ATOM 0 H ARG A 46 -10.997 11.326 14.919 1.00 40.54 H new ATOM 0 HA ARG A 46 -12.538 9.118 15.617 1.00 4.23 H new ATOM 0 HB2 ARG A 46 -13.796 9.855 13.614 1.00 41.11 H new ATOM 0 HB3 ARG A 46 -13.320 11.236 14.583 1.00 41.11 H new ATOM 0 HG2 ARG A 46 -11.330 11.536 12.988 1.00 44.23 H new ATOM 0 HG3 ARG A 46 -12.058 10.313 11.966 1.00 44.23 H new ATOM 0 HD2 ARG A 46 -12.875 12.384 11.088 1.00 24.12 H new ATOM 0 HD3 ARG A 46 -14.217 11.746 12.016 1.00 24.12 H new ATOM 0 HE ARG A 46 -12.374 13.975 12.930 1.00 43.22 H new ATOM 0 HH11 ARG A 46 -15.468 12.162 13.286 1.00 12.33 H new ATOM 0 HH12 ARG A 46 -16.140 13.308 14.451 1.00 12.33 H new ATOM 0 HH21 ARG A 46 -13.249 15.433 14.479 1.00 13.33 H new ATOM 0 HH22 ARG A 46 -14.870 15.179 15.134 1.00 13.33 H new ATOM 757 N GLU A 47 -10.438 8.475 13.218 1.00 5.21 N ATOM 758 CA GLU A 47 -9.821 7.372 12.559 1.00 64.35 C ATOM 759 C GLU A 47 -9.173 6.353 13.406 1.00 12.34 C ATOM 760 O GLU A 47 -9.008 5.235 12.933 1.00 4.03 O ATOM 761 CB GLU A 47 -8.763 7.764 11.568 1.00 61.45 C ATOM 762 CG GLU A 47 -9.289 8.307 10.241 1.00 42.32 C ATOM 763 CD GLU A 47 -10.524 7.687 9.583 1.00 62.33 C ATOM 764 OE1 GLU A 47 -10.385 6.601 8.969 1.00 10.25 O ATOM 765 OE2 GLU A 47 -11.600 8.335 9.655 1.00 75.31 O ATOM 0 H GLU A 47 -9.962 9.364 13.067 1.00 5.21 H new ATOM 0 HA GLU A 47 -10.707 6.943 12.090 1.00 64.35 H new ATOM 0 HB2 GLU A 47 -8.122 8.519 12.023 1.00 61.45 H new ATOM 0 HB3 GLU A 47 -8.137 6.895 11.365 1.00 61.45 H new ATOM 0 HG2 GLU A 47 -9.500 9.366 10.388 1.00 42.32 H new ATOM 0 HG3 GLU A 47 -8.474 8.241 9.521 1.00 42.32 H new ATOM 772 N ALA A 48 -8.783 6.680 14.648 1.00 61.31 N ATOM 773 CA ALA A 48 -8.279 5.656 15.558 1.00 33.41 C ATOM 774 C ALA A 48 -9.291 4.523 15.654 1.00 35.20 C ATOM 775 O ALA A 48 -8.947 3.364 15.489 1.00 31.43 O ATOM 776 CB ALA A 48 -7.994 6.190 16.985 1.00 73.14 C ATOM 0 H ALA A 48 -8.808 7.624 15.033 1.00 61.31 H new ATOM 0 HA ALA A 48 -7.332 5.310 15.145 1.00 33.41 H new ATOM 0 HB1 ALA A 48 -7.622 5.378 17.610 1.00 73.14 H new ATOM 0 HB2 ALA A 48 -7.246 6.981 16.935 1.00 73.14 H new ATOM 0 HB3 ALA A 48 -8.913 6.587 17.415 1.00 73.14 H new ATOM 782 N GLY A 49 -10.595 4.856 15.729 1.00 33.13 N ATOM 783 CA GLY A 49 -11.670 3.886 15.614 1.00 21.45 C ATOM 784 C GLY A 49 -11.743 3.223 14.280 1.00 53.03 C ATOM 785 O GLY A 49 -12.003 2.024 14.248 1.00 53.32 O ATOM 0 H GLY A 49 -10.919 5.812 15.872 1.00 33.13 H new ATOM 0 HA2 GLY A 49 -11.542 3.123 16.382 1.00 21.45 H new ATOM 0 HA3 GLY A 49 -12.619 4.384 15.814 1.00 21.45 H new ATOM 789 N CYS A 50 -11.536 3.949 13.138 1.00 3.33 N ATOM 790 CA CYS A 50 -11.654 3.323 11.839 1.00 22.30 C ATOM 791 C CYS A 50 -10.559 2.299 11.617 1.00 32.22 C ATOM 792 O CYS A 50 -10.804 1.244 11.037 1.00 11.51 O ATOM 793 CB CYS A 50 -11.638 4.360 10.702 1.00 13.33 C ATOM 794 SG CYS A 50 -13.070 5.502 10.689 1.00 74.22 S ATOM 0 H CYS A 50 -11.294 4.940 13.118 1.00 3.33 H new ATOM 0 HA CYS A 50 -12.617 2.813 11.824 1.00 22.30 H new ATOM 0 HB2 CYS A 50 -10.723 4.947 10.777 1.00 13.33 H new ATOM 0 HB3 CYS A 50 -11.602 3.833 9.748 1.00 13.33 H new ATOM 799 N VAL A 51 -9.314 2.569 12.088 1.00 25.31 N ATOM 800 CA VAL A 51 -8.278 1.545 12.063 1.00 5.43 C ATOM 801 C VAL A 51 -8.581 0.404 13.008 1.00 11.44 C ATOM 802 O VAL A 51 -8.463 -0.754 12.635 1.00 52.55 O ATOM 803 CB VAL A 51 -6.853 2.103 12.232 1.00 13.51 C ATOM 804 CG1 VAL A 51 -6.633 2.961 13.487 1.00 32.52 C ATOM 805 CG2 VAL A 51 -5.844 0.951 12.385 1.00 64.43 C ATOM 0 H VAL A 51 -9.024 3.466 12.476 1.00 25.31 H new ATOM 0 HA VAL A 51 -8.297 1.129 11.056 1.00 5.43 H new ATOM 0 HB VAL A 51 -6.713 2.714 11.340 1.00 13.51 H new ATOM 0 HG11 VAL A 51 -5.600 3.306 13.515 1.00 32.52 H new ATOM 0 HG12 VAL A 51 -7.302 3.821 13.462 1.00 32.52 H new ATOM 0 HG13 VAL A 51 -6.841 2.365 14.376 1.00 32.52 H new ATOM 0 HG21 VAL A 51 -4.840 1.360 12.504 1.00 64.43 H new ATOM 0 HG22 VAL A 51 -6.100 0.357 13.262 1.00 64.43 H new ATOM 0 HG23 VAL A 51 -5.876 0.319 11.497 1.00 64.43 H new ATOM 815 N ILE A 52 -9.074 0.677 14.228 1.00 23.42 N ATOM 816 CA ILE A 52 -9.322 -0.343 15.245 1.00 71.15 C ATOM 817 C ILE A 52 -10.319 -1.394 14.796 1.00 35.10 C ATOM 818 O ILE A 52 -10.083 -2.595 14.929 1.00 61.21 O ATOM 819 CB ILE A 52 -9.771 0.320 16.547 1.00 63.21 C ATOM 820 CG1 ILE A 52 -8.585 1.040 17.220 1.00 72.41 C ATOM 821 CG2 ILE A 52 -10.428 -0.702 17.497 1.00 75.11 C ATOM 822 CD1 ILE A 52 -8.875 2.192 18.208 1.00 40.24 C ATOM 0 H ILE A 52 -9.311 1.621 14.532 1.00 23.42 H new ATOM 0 HA ILE A 52 -8.383 -0.870 15.413 1.00 71.15 H new ATOM 0 HB ILE A 52 -10.527 1.068 16.309 1.00 63.21 H new ATOM 0 HG12 ILE A 52 -8.002 0.288 17.752 1.00 72.41 H new ATOM 0 HG13 ILE A 52 -7.948 1.436 16.429 1.00 72.41 H new ATOM 0 HG21 ILE A 52 -10.737 -0.200 18.414 1.00 75.11 H new ATOM 0 HG22 ILE A 52 -11.300 -1.141 17.012 1.00 75.11 H new ATOM 0 HG23 ILE A 52 -9.712 -1.488 17.737 1.00 75.11 H new ATOM 0 HD11 ILE A 52 -7.935 2.589 18.590 1.00 40.24 H new ATOM 0 HD12 ILE A 52 -9.420 2.983 17.694 1.00 40.24 H new ATOM 0 HD13 ILE A 52 -9.475 1.818 19.037 1.00 40.24 H new ATOM 834 N LEU A 53 -11.445 -0.965 14.199 1.00 1.14 N ATOM 835 CA LEU A 53 -12.431 -1.869 13.657 1.00 75.11 C ATOM 836 C LEU A 53 -11.977 -2.668 12.448 1.00 34.42 C ATOM 837 O LEU A 53 -12.414 -3.792 12.212 1.00 10.30 O ATOM 838 CB LEU A 53 -13.739 -1.077 13.439 1.00 70.01 C ATOM 839 CG LEU A 53 -13.773 0.065 12.403 1.00 72.31 C ATOM 840 CD1 LEU A 53 -13.720 -0.412 10.947 1.00 31.13 C ATOM 841 CD2 LEU A 53 -15.036 0.913 12.646 1.00 63.33 C ATOM 0 H LEU A 53 -11.681 0.021 14.087 1.00 1.14 H new ATOM 0 HA LEU A 53 -12.606 -2.662 14.384 1.00 75.11 H new ATOM 0 HB2 LEU A 53 -14.512 -1.793 13.160 1.00 70.01 H new ATOM 0 HB3 LEU A 53 -14.028 -0.654 14.401 1.00 70.01 H new ATOM 0 HG LEU A 53 -12.870 0.658 12.545 1.00 72.31 H new ATOM 0 HD11 LEU A 53 -13.748 0.450 10.280 1.00 31.13 H new ATOM 0 HD12 LEU A 53 -12.799 -0.970 10.780 1.00 31.13 H new ATOM 0 HD13 LEU A 53 -14.576 -1.056 10.744 1.00 31.13 H new ATOM 0 HD21 LEU A 53 -15.074 1.725 11.920 1.00 63.33 H new ATOM 0 HD22 LEU A 53 -15.921 0.287 12.536 1.00 63.33 H new ATOM 0 HD23 LEU A 53 -15.008 1.328 13.654 1.00 63.33 H new ATOM 853 N CYS A 54 -11.040 -2.095 11.678 1.00 2.42 N ATOM 854 CA CYS A 54 -10.329 -2.732 10.587 1.00 13.11 C ATOM 855 C CYS A 54 -9.440 -3.877 11.043 1.00 21.20 C ATOM 856 O CYS A 54 -9.435 -4.911 10.382 1.00 41.14 O ATOM 857 CB CYS A 54 -9.531 -1.700 9.749 1.00 50.55 C ATOM 858 SG CYS A 54 -8.654 -2.375 8.302 1.00 52.24 S ATOM 0 H CYS A 54 -10.752 -1.126 11.816 1.00 2.42 H new ATOM 0 HA CYS A 54 -11.092 -3.172 9.945 1.00 13.11 H new ATOM 0 HB2 CYS A 54 -10.218 -0.926 9.407 1.00 50.55 H new ATOM 0 HB3 CYS A 54 -8.803 -1.215 10.399 1.00 50.55 H new ATOM 863 N LEU A 55 -8.679 -3.810 12.176 1.00 72.53 N ATOM 864 CA LEU A 55 -7.980 -4.980 12.644 1.00 72.22 C ATOM 865 C LEU A 55 -8.898 -6.115 12.953 1.00 13.21 C ATOM 866 O LEU A 55 -8.624 -7.239 12.568 1.00 73.43 O ATOM 867 CB LEU A 55 -7.214 -4.584 13.880 1.00 22.44 C ATOM 868 CG LEU A 55 -5.960 -3.760 13.564 1.00 11.13 C ATOM 869 CD1 LEU A 55 -4.888 -4.647 12.930 1.00 71.44 C ATOM 870 CD2 LEU A 55 -6.050 -2.418 12.851 1.00 40.42 C ATOM 0 H LEU A 55 -8.555 -2.973 12.745 1.00 72.53 H new ATOM 0 HA LEU A 55 -7.315 -5.333 11.855 1.00 72.22 H new ATOM 0 HB2 LEU A 55 -7.866 -4.008 14.537 1.00 22.44 H new ATOM 0 HB3 LEU A 55 -6.925 -5.482 14.426 1.00 22.44 H new ATOM 0 HG LEU A 55 -5.700 -3.412 14.564 1.00 11.13 H new ATOM 0 HD11 LEU A 55 -4.004 -4.049 12.711 1.00 71.44 H new ATOM 0 HD12 LEU A 55 -4.623 -5.447 13.621 1.00 71.44 H new ATOM 0 HD13 LEU A 55 -5.272 -5.078 12.006 1.00 71.44 H new ATOM 0 HD21 LEU A 55 -5.049 -2.004 12.727 1.00 40.42 H new ATOM 0 HD22 LEU A 55 -6.510 -2.556 11.872 1.00 40.42 H new ATOM 0 HD23 LEU A 55 -6.656 -1.732 13.443 1.00 40.42 H new ATOM 882 N ALA A 56 -10.054 -5.825 13.555 1.00 15.01 N ATOM 883 CA ALA A 56 -11.055 -6.778 13.938 1.00 71.31 C ATOM 884 C ALA A 56 -11.574 -7.633 12.805 1.00 4.51 C ATOM 885 O ALA A 56 -11.838 -8.821 12.975 1.00 43.44 O ATOM 886 CB ALA A 56 -12.172 -5.972 14.603 1.00 13.41 C ATOM 0 H ALA A 56 -10.314 -4.868 13.793 1.00 15.01 H new ATOM 0 HA ALA A 56 -10.616 -7.509 14.618 1.00 71.31 H new ATOM 0 HB1 ALA A 56 -12.969 -6.646 14.919 1.00 13.41 H new ATOM 0 HB2 ALA A 56 -11.775 -5.448 15.472 1.00 13.41 H new ATOM 0 HB3 ALA A 56 -12.570 -5.247 13.893 1.00 13.41 H new ATOM 892 N LYS A 57 -11.701 -7.045 11.601 1.00 72.11 N ATOM 893 CA LYS A 57 -12.074 -7.798 10.427 1.00 53.12 C ATOM 894 C LYS A 57 -10.898 -8.534 9.772 1.00 2.51 C ATOM 895 O LYS A 57 -11.103 -9.381 8.905 1.00 24.41 O ATOM 896 CB LYS A 57 -12.802 -6.896 9.403 1.00 24.42 C ATOM 897 CG LYS A 57 -11.963 -5.933 8.575 1.00 50.43 C ATOM 898 CD LYS A 57 -12.813 -5.162 7.559 1.00 43.30 C ATOM 899 CE LYS A 57 -13.701 -4.070 8.153 1.00 20.35 C ATOM 900 NZ LYS A 57 -14.426 -3.383 7.065 1.00 60.14 N ATOM 0 H LYS A 57 -11.547 -6.051 11.433 1.00 72.11 H new ATOM 0 HA LYS A 57 -12.761 -8.572 10.769 1.00 53.12 H new ATOM 0 HB2 LYS A 57 -13.344 -7.543 8.714 1.00 24.42 H new ATOM 0 HB3 LYS A 57 -13.546 -6.311 9.943 1.00 24.42 H new ATOM 0 HG2 LYS A 57 -11.460 -5.228 9.237 1.00 50.43 H new ATOM 0 HG3 LYS A 57 -11.185 -6.488 8.051 1.00 50.43 H new ATOM 0 HD2 LYS A 57 -12.149 -4.708 6.823 1.00 43.30 H new ATOM 0 HD3 LYS A 57 -13.445 -5.871 7.024 1.00 43.30 H new ATOM 0 HE2 LYS A 57 -14.409 -4.505 8.859 1.00 20.35 H new ATOM 0 HE3 LYS A 57 -13.095 -3.355 8.709 1.00 20.35 H new ATOM 0 HZ1 LYS A 57 -15.031 -2.639 7.467 1.00 60.14 H new ATOM 0 HZ2 LYS A 57 -13.742 -2.956 6.408 1.00 60.14 H new ATOM 0 HZ3 LYS A 57 -15.016 -4.070 6.553 1.00 60.14 H new ATOM 914 N LYS A 58 -9.636 -8.216 10.158 1.00 42.55 N ATOM 915 CA LYS A 58 -8.407 -8.717 9.561 1.00 33.52 C ATOM 916 C LYS A 58 -7.536 -9.500 10.554 1.00 51.53 C ATOM 917 O LYS A 58 -6.322 -9.328 10.630 1.00 30.41 O ATOM 918 CB LYS A 58 -7.598 -7.548 8.935 1.00 63.50 C ATOM 919 CG LYS A 58 -8.293 -6.887 7.733 1.00 14.04 C ATOM 920 CD LYS A 58 -7.371 -5.940 6.944 1.00 13.35 C ATOM 921 CE LYS A 58 -8.056 -5.215 5.780 1.00 63.13 C ATOM 922 NZ LYS A 58 -8.486 -6.182 4.751 1.00 33.14 N ATOM 0 H LYS A 58 -9.458 -7.573 10.930 1.00 42.55 H new ATOM 0 HA LYS A 58 -8.698 -9.419 8.779 1.00 33.52 H new ATOM 0 HB2 LYS A 58 -7.418 -6.792 9.700 1.00 63.50 H new ATOM 0 HB3 LYS A 58 -6.623 -7.921 8.620 1.00 63.50 H new ATOM 0 HG2 LYS A 58 -8.664 -7.664 7.064 1.00 14.04 H new ATOM 0 HG3 LYS A 58 -9.161 -6.329 8.085 1.00 14.04 H new ATOM 0 HD2 LYS A 58 -6.962 -5.197 7.629 1.00 13.35 H new ATOM 0 HD3 LYS A 58 -6.529 -6.513 6.555 1.00 13.35 H new ATOM 0 HE2 LYS A 58 -8.918 -4.658 6.147 1.00 63.13 H new ATOM 0 HE3 LYS A 58 -7.371 -4.489 5.342 1.00 63.13 H new ATOM 0 HZ1 LYS A 58 -8.871 -5.669 3.932 1.00 33.14 H new ATOM 0 HZ2 LYS A 58 -7.671 -6.753 4.450 1.00 33.14 H new ATOM 0 HZ3 LYS A 58 -9.219 -6.805 5.145 1.00 33.14 H new ATOM 936 N LEU A 59 -8.146 -10.422 11.333 1.00 52.00 N ATOM 937 CA LEU A 59 -7.491 -11.240 12.365 1.00 31.13 C ATOM 938 C LEU A 59 -6.939 -12.513 11.784 1.00 72.43 C ATOM 939 O LEU A 59 -6.079 -13.184 12.333 1.00 13.52 O ATOM 940 CB LEU A 59 -8.417 -11.690 13.517 1.00 55.02 C ATOM 941 CG LEU A 59 -9.034 -10.518 14.292 1.00 2.25 C ATOM 942 CD1 LEU A 59 -9.977 -10.990 15.415 1.00 41.42 C ATOM 943 CD2 LEU A 59 -8.119 -9.356 14.657 1.00 11.52 C ATOM 0 H LEU A 59 -9.143 -10.620 11.253 1.00 52.00 H new ATOM 0 HA LEU A 59 -6.718 -10.577 12.755 1.00 31.13 H new ATOM 0 HB2 LEU A 59 -9.217 -12.309 13.110 1.00 55.02 H new ATOM 0 HB3 LEU A 59 -7.850 -12.315 14.207 1.00 55.02 H new ATOM 0 HG LEU A 59 -9.660 -10.025 13.549 1.00 2.25 H new ATOM 0 HD11 LEU A 59 -10.388 -10.124 15.933 1.00 41.42 H new ATOM 0 HD12 LEU A 59 -10.790 -11.575 14.985 1.00 41.42 H new ATOM 0 HD13 LEU A 59 -9.421 -11.606 16.122 1.00 41.42 H new ATOM 0 HD21 LEU A 59 -8.688 -8.602 15.201 1.00 11.52 H new ATOM 0 HD22 LEU A 59 -7.304 -9.718 15.284 1.00 11.52 H new ATOM 0 HD23 LEU A 59 -7.710 -8.916 13.748 1.00 11.52 H new ATOM 955 N GLU A 60 -7.443 -12.836 10.600 1.00 75.52 N ATOM 956 CA GLU A 60 -7.092 -13.950 9.728 1.00 3.23 C ATOM 957 C GLU A 60 -5.641 -13.868 9.329 1.00 74.21 C ATOM 958 O GLU A 60 -4.925 -14.853 9.183 1.00 35.42 O ATOM 959 CB GLU A 60 -7.909 -13.902 8.421 1.00 3.24 C ATOM 960 CG GLU A 60 -9.407 -14.238 8.565 1.00 74.11 C ATOM 961 CD GLU A 60 -10.345 -13.203 9.194 1.00 20.40 C ATOM 962 OE1 GLU A 60 -11.552 -13.537 9.317 1.00 74.45 O ATOM 963 OE2 GLU A 60 -9.875 -12.097 9.568 1.00 75.30 O ATOM 0 H GLU A 60 -8.181 -12.268 10.185 1.00 75.52 H new ATOM 0 HA GLU A 60 -7.299 -14.866 10.282 1.00 3.23 H new ATOM 0 HB2 GLU A 60 -7.817 -12.904 7.992 1.00 3.24 H new ATOM 0 HB3 GLU A 60 -7.465 -14.598 7.709 1.00 3.24 H new ATOM 0 HG2 GLU A 60 -9.790 -14.467 7.570 1.00 74.11 H new ATOM 0 HG3 GLU A 60 -9.484 -15.152 9.154 1.00 74.11 H new ATOM 970 N LEU A 61 -5.251 -12.609 9.117 1.00 40.30 N ATOM 971 CA LEU A 61 -3.946 -12.112 8.722 1.00 2.42 C ATOM 972 C LEU A 61 -2.897 -12.404 9.791 1.00 53.34 C ATOM 973 O LEU A 61 -1.708 -12.526 9.501 1.00 54.23 O ATOM 974 CB LEU A 61 -3.906 -10.584 8.504 1.00 4.02 C ATOM 975 CG LEU A 61 -4.858 -9.953 7.469 1.00 43.11 C ATOM 976 CD1 LEU A 61 -4.159 -8.847 6.671 1.00 52.33 C ATOM 977 CD2 LEU A 61 -5.861 -10.825 6.690 1.00 4.20 C ATOM 0 H LEU A 61 -5.913 -11.842 9.231 1.00 40.30 H new ATOM 0 HA LEU A 61 -3.736 -12.626 7.784 1.00 2.42 H new ATOM 0 HB2 LEU A 61 -4.103 -10.109 9.465 1.00 4.02 H new ATOM 0 HB3 LEU A 61 -2.888 -10.318 8.220 1.00 4.02 H new ATOM 0 HG LEU A 61 -5.616 -9.498 8.106 1.00 43.11 H new ATOM 0 HD11 LEU A 61 -4.857 -8.422 5.950 1.00 52.33 H new ATOM 0 HD12 LEU A 61 -3.820 -8.066 7.352 1.00 52.33 H new ATOM 0 HD13 LEU A 61 -3.302 -9.265 6.143 1.00 52.33 H new ATOM 0 HD21 LEU A 61 -6.439 -10.197 6.012 1.00 4.20 H new ATOM 0 HD22 LEU A 61 -5.320 -11.577 6.116 1.00 4.20 H new ATOM 0 HD23 LEU A 61 -6.535 -11.319 7.390 1.00 4.20 H new ATOM 989 N LEU A 62 -3.338 -12.475 11.069 1.00 52.12 N ATOM 990 CA LEU A 62 -2.535 -12.717 12.250 1.00 42.13 C ATOM 991 C LEU A 62 -2.055 -14.154 12.246 1.00 63.14 C ATOM 992 O LEU A 62 -2.560 -15.015 11.528 1.00 41.04 O ATOM 993 CB LEU A 62 -3.333 -12.473 13.561 1.00 22.43 C ATOM 994 CG LEU A 62 -3.889 -11.040 13.659 1.00 71.21 C ATOM 995 CD1 LEU A 62 -4.898 -10.847 14.806 1.00 32.34 C ATOM 996 CD2 LEU A 62 -2.776 -9.986 13.755 1.00 23.24 C ATOM 0 H LEU A 62 -4.325 -12.355 11.297 1.00 52.12 H new ATOM 0 HA LEU A 62 -1.697 -12.020 12.221 1.00 42.13 H new ATOM 0 HB2 LEU A 62 -4.158 -13.183 13.617 1.00 22.43 H new ATOM 0 HB3 LEU A 62 -2.686 -12.667 14.417 1.00 22.43 H new ATOM 0 HG LEU A 62 -4.430 -10.891 12.724 1.00 71.21 H new ATOM 0 HD11 LEU A 62 -5.247 -9.814 14.814 1.00 32.34 H new ATOM 0 HD12 LEU A 62 -5.746 -11.516 14.661 1.00 32.34 H new ATOM 0 HD13 LEU A 62 -4.416 -11.074 15.757 1.00 32.34 H new ATOM 0 HD21 LEU A 62 -3.220 -8.993 13.822 1.00 23.24 H new ATOM 0 HD22 LEU A 62 -2.172 -10.174 14.643 1.00 23.24 H new ATOM 0 HD23 LEU A 62 -2.144 -10.042 12.868 1.00 23.24 H new ATOM 1008 N ASP A 63 -1.009 -14.465 13.035 1.00 4.11 N ATOM 1009 CA ASP A 63 -0.408 -15.783 12.964 1.00 73.11 C ATOM 1010 C ASP A 63 -1.330 -16.778 13.658 1.00 11.42 C ATOM 1011 O ASP A 63 -1.794 -16.545 14.772 1.00 33.13 O ATOM 1012 CB ASP A 63 0.998 -15.825 13.632 1.00 74.21 C ATOM 1013 CG ASP A 63 1.820 -17.058 13.250 1.00 53.31 C ATOM 1014 OD1 ASP A 63 1.402 -18.180 13.641 1.00 25.14 O ATOM 1015 OD2 ASP A 63 2.867 -16.884 12.579 1.00 13.45 O ATOM 0 H ASP A 63 -0.581 -13.830 13.709 1.00 4.11 H new ATOM 0 HA ASP A 63 -0.277 -16.041 11.913 1.00 73.11 H new ATOM 0 HB2 ASP A 63 1.551 -14.929 13.352 1.00 74.21 H new ATOM 0 HB3 ASP A 63 0.878 -15.800 14.715 1.00 74.21 H new ATOM 1020 N GLN A 64 -1.553 -17.952 13.038 1.00 70.22 N ATOM 1021 CA GLN A 64 -2.418 -18.992 13.550 1.00 24.44 C ATOM 1022 C GLN A 64 -1.988 -19.530 14.914 1.00 21.43 C ATOM 1023 O GLN A 64 -2.814 -19.975 15.712 1.00 14.31 O ATOM 1024 CB GLN A 64 -2.538 -20.122 12.498 1.00 71.42 C ATOM 1025 CG GLN A 64 -3.477 -21.276 12.910 1.00 34.13 C ATOM 1026 CD GLN A 64 -4.919 -20.804 13.147 1.00 61.52 C ATOM 1027 OE1 GLN A 64 -5.640 -20.378 12.239 1.00 43.42 O ATOM 1028 NE2 GLN A 64 -5.364 -20.869 14.429 1.00 60.10 N ATOM 0 H GLN A 64 -1.119 -18.194 12.147 1.00 70.22 H new ATOM 0 HA GLN A 64 -3.399 -18.548 13.722 1.00 24.44 H new ATOM 0 HB2 GLN A 64 -2.896 -19.694 11.562 1.00 71.42 H new ATOM 0 HB3 GLN A 64 -1.545 -20.528 12.304 1.00 71.42 H new ATOM 0 HG2 GLN A 64 -3.471 -22.040 12.133 1.00 34.13 H new ATOM 0 HG3 GLN A 64 -3.097 -21.743 13.819 1.00 34.13 H new ATOM 0 HE21 GLN A 64 -4.752 -21.224 15.164 1.00 60.10 H new ATOM 0 HE22 GLN A 64 -6.310 -20.563 14.657 1.00 60.10 H new ATOM 1037 N ASP A 65 -0.682 -19.435 15.241 1.00 52.12 N ATOM 1038 CA ASP A 65 -0.100 -19.851 16.508 1.00 32.13 C ATOM 1039 C ASP A 65 -0.705 -19.148 17.722 1.00 73.44 C ATOM 1040 O ASP A 65 -0.799 -19.756 18.784 1.00 72.52 O ATOM 1041 CB ASP A 65 1.436 -19.609 16.547 1.00 53.32 C ATOM 1042 CG ASP A 65 2.219 -20.583 15.667 1.00 22.21 C ATOM 1043 OD1 ASP A 65 1.638 -21.601 15.211 1.00 33.32 O ATOM 1044 OD2 ASP A 65 3.434 -20.316 15.476 1.00 23.55 O ATOM 0 H ASP A 65 0.010 -19.051 14.598 1.00 52.12 H new ATOM 0 HA ASP A 65 -0.326 -20.916 16.568 1.00 32.13 H new ATOM 0 HB2 ASP A 65 1.645 -18.589 16.225 1.00 53.32 H new ATOM 0 HB3 ASP A 65 1.786 -19.697 17.576 1.00 53.32 H new ATOM 1049 N MET A 66 -1.133 -17.861 17.619 1.00 14.11 N ATOM 1050 CA MET A 66 -1.751 -17.186 18.756 1.00 63.21 C ATOM 1051 C MET A 66 -3.211 -17.584 18.928 1.00 51.30 C ATOM 1052 O MET A 66 -3.821 -17.280 19.952 1.00 3.34 O ATOM 1053 CB MET A 66 -1.649 -15.635 18.674 1.00 60.25 C ATOM 1054 CG MET A 66 -2.532 -14.910 17.637 1.00 34.03 C ATOM 1055 SD MET A 66 -2.380 -13.094 17.631 1.00 24.11 S ATOM 1056 CE MET A 66 -0.703 -12.982 16.945 1.00 54.00 C ATOM 0 H MET A 66 -1.057 -17.294 16.774 1.00 14.11 H new ATOM 0 HA MET A 66 -1.183 -17.516 19.626 1.00 63.21 H new ATOM 0 HB2 MET A 66 -1.888 -15.231 19.658 1.00 60.25 H new ATOM 0 HB3 MET A 66 -0.610 -15.378 18.467 1.00 60.25 H new ATOM 0 HG2 MET A 66 -2.282 -15.284 16.644 1.00 34.03 H new ATOM 0 HG3 MET A 66 -3.574 -15.172 17.823 1.00 34.03 H new ATOM 0 HE1 MET A 66 -0.514 -11.962 16.611 1.00 54.00 H new ATOM 0 HE2 MET A 66 0.023 -13.253 17.712 1.00 54.00 H new ATOM 0 HE3 MET A 66 -0.610 -13.663 16.099 1.00 54.00 H new ATOM 1066 N ASN A 67 -3.766 -18.295 17.915 1.00 51.15 N ATOM 1067 CA ASN A 67 -5.118 -18.813 17.785 1.00 62.10 C ATOM 1068 C ASN A 67 -6.219 -17.757 17.718 1.00 12.11 C ATOM 1069 O ASN A 67 -7.358 -18.038 18.086 1.00 60.23 O ATOM 1070 CB ASN A 67 -5.475 -19.832 18.925 1.00 54.32 C ATOM 1071 CG ASN A 67 -4.648 -21.128 18.989 1.00 21.11 C ATOM 1072 OD1 ASN A 67 -4.752 -21.852 19.984 1.00 45.31 O ATOM 1073 ND2 ASN A 67 -3.834 -21.457 17.956 1.00 1.53 N ATOM 0 H ASN A 67 -3.208 -18.534 17.096 1.00 51.15 H new ATOM 0 HA ASN A 67 -5.095 -19.313 16.817 1.00 62.10 H new ATOM 0 HB2 ASN A 67 -5.375 -19.319 19.881 1.00 54.32 H new ATOM 0 HB3 ASN A 67 -6.525 -20.105 18.818 1.00 54.32 H new ATOM 0 HD21 ASN A 67 -3.290 -22.319 17.990 1.00 1.53 H new ATOM 0 HD22 ASN A 67 -3.765 -20.842 17.145 1.00 1.53 H new ATOM 1080 N LEU A 68 -5.956 -16.520 17.216 1.00 62.12 N ATOM 1081 CA LEU A 68 -7.020 -15.528 17.140 1.00 65.13 C ATOM 1082 C LEU A 68 -7.908 -15.761 15.933 1.00 43.12 C ATOM 1083 O LEU A 68 -7.451 -15.704 14.794 1.00 5.45 O ATOM 1084 CB LEU A 68 -6.481 -14.075 17.052 1.00 30.45 C ATOM 1085 CG LEU A 68 -7.416 -12.967 17.603 1.00 41.13 C ATOM 1086 CD1 LEU A 68 -7.044 -11.551 17.193 1.00 60.12 C ATOM 1087 CD2 LEU A 68 -8.899 -13.270 17.864 1.00 32.11 C ATOM 0 H LEU A 68 -5.046 -16.210 16.874 1.00 62.12 H new ATOM 0 HA LEU A 68 -7.588 -15.645 18.063 1.00 65.13 H new ATOM 0 HB2 LEU A 68 -5.536 -14.026 17.592 1.00 30.45 H new ATOM 0 HB3 LEU A 68 -6.263 -13.852 16.007 1.00 30.45 H new ATOM 0 HG LEU A 68 -7.143 -13.013 18.657 1.00 41.13 H new ATOM 0 HD11 LEU A 68 -7.755 -10.848 17.626 1.00 60.12 H new ATOM 0 HD12 LEU A 68 -6.041 -11.320 17.552 1.00 60.12 H new ATOM 0 HD13 LEU A 68 -7.069 -11.468 16.106 1.00 60.12 H new ATOM 0 HD21 LEU A 68 -9.391 -12.376 18.247 1.00 32.11 H new ATOM 0 HD22 LEU A 68 -9.377 -13.577 16.934 1.00 32.11 H new ATOM 0 HD23 LEU A 68 -8.983 -14.072 18.597 1.00 32.11 H new ATOM 1099 N HIS A 69 -9.221 -15.981 16.159 1.00 20.33 N ATOM 1100 CA HIS A 69 -10.194 -15.973 15.094 1.00 43.42 C ATOM 1101 C HIS A 69 -11.375 -15.202 15.625 1.00 4.50 C ATOM 1102 O HIS A 69 -11.604 -15.146 16.835 1.00 64.42 O ATOM 1103 CB HIS A 69 -10.689 -17.389 14.673 1.00 72.13 C ATOM 1104 CG HIS A 69 -9.670 -18.343 14.088 1.00 1.42 C ATOM 1105 ND1 HIS A 69 -9.944 -19.682 14.023 1.00 64.42 N ATOM 1106 CD2 HIS A 69 -8.472 -18.164 13.480 1.00 61.21 C ATOM 1107 CE1 HIS A 69 -8.945 -20.297 13.418 1.00 12.20 C ATOM 1108 NE2 HIS A 69 -8.037 -19.402 13.080 1.00 12.31 N ATOM 0 H HIS A 69 -9.613 -16.165 17.082 1.00 20.33 H new ATOM 0 HA HIS A 69 -9.733 -15.538 14.208 1.00 43.42 H new ATOM 0 HB2 HIS A 69 -11.130 -17.865 15.549 1.00 72.13 H new ATOM 0 HB3 HIS A 69 -11.488 -17.262 13.943 1.00 72.13 H new ATOM 0 HD2 HIS A 69 -7.958 -17.225 13.338 1.00 61.21 H new ATOM 0 HE1 HIS A 69 -8.882 -21.359 13.231 1.00 12.20 H new ATOM 0 HE2 HIS A 69 -7.158 -19.598 12.601 1.00 12.31 H new ATOM 1117 N HIS A 70 -12.160 -14.573 14.725 1.00 50.13 N ATOM 1118 CA HIS A 70 -13.354 -13.832 15.083 1.00 61.34 C ATOM 1119 C HIS A 70 -14.417 -14.710 15.716 1.00 31.34 C ATOM 1120 O HIS A 70 -14.772 -15.776 15.219 1.00 4.41 O ATOM 1121 CB HIS A 70 -13.945 -13.127 13.843 1.00 72.01 C ATOM 1122 CG HIS A 70 -15.210 -12.322 14.030 1.00 53.10 C ATOM 1123 ND1 HIS A 70 -16.443 -12.917 14.001 1.00 23.23 N ATOM 1124 CD2 HIS A 70 -15.420 -10.996 14.197 1.00 75.04 C ATOM 1125 CE1 HIS A 70 -17.368 -11.989 14.158 1.00 43.44 C ATOM 1126 NE2 HIS A 70 -16.776 -10.816 14.280 1.00 71.51 N ATOM 0 H HIS A 70 -11.967 -14.575 13.723 1.00 50.13 H new ATOM 0 HA HIS A 70 -13.050 -13.092 15.823 1.00 61.34 H new ATOM 0 HB2 HIS A 70 -13.181 -12.463 13.439 1.00 72.01 H new ATOM 0 HB3 HIS A 70 -14.140 -13.887 13.086 1.00 72.01 H new ATOM 0 HD2 HIS A 70 -14.664 -10.227 14.254 1.00 75.04 H new ATOM 0 HE1 HIS A 70 -18.434 -12.161 14.183 1.00 43.44 H new ATOM 0 HE2 HIS A 70 -17.250 -9.923 14.414 1.00 71.51 H new ATOM 1135 N GLY A 71 -14.945 -14.239 16.859 1.00 10.54 N ATOM 1136 CA GLY A 71 -16.046 -14.865 17.584 1.00 44.32 C ATOM 1137 C GLY A 71 -15.607 -15.878 18.606 1.00 32.43 C ATOM 1138 O GLY A 71 -16.386 -16.299 19.455 1.00 4.34 O ATOM 0 H GLY A 71 -14.604 -13.390 17.309 1.00 10.54 H new ATOM 0 HA2 GLY A 71 -16.627 -14.089 18.083 1.00 44.32 H new ATOM 0 HA3 GLY A 71 -16.710 -15.350 16.868 1.00 44.32 H new ATOM 1142 N LYS A 72 -14.323 -16.281 18.568 1.00 41.33 N ATOM 1143 CA LYS A 72 -13.764 -17.381 19.321 1.00 62.25 C ATOM 1144 C LYS A 72 -13.059 -16.878 20.561 1.00 32.13 C ATOM 1145 O LYS A 72 -12.227 -17.572 21.148 1.00 23.54 O ATOM 1146 CB LYS A 72 -12.768 -18.190 18.452 1.00 51.31 C ATOM 1147 CG LYS A 72 -13.393 -18.775 17.171 1.00 4.50 C ATOM 1148 CD LYS A 72 -14.578 -19.717 17.433 1.00 40.02 C ATOM 1149 CE LYS A 72 -15.093 -20.376 16.157 1.00 14.40 C ATOM 1150 NZ LYS A 72 -16.167 -21.331 16.490 1.00 21.34 N ATOM 0 H LYS A 72 -13.630 -15.818 17.981 1.00 41.33 H new ATOM 0 HA LYS A 72 -14.586 -18.032 19.619 1.00 62.25 H new ATOM 0 HB2 LYS A 72 -11.934 -17.545 18.176 1.00 51.31 H new ATOM 0 HB3 LYS A 72 -12.357 -19.004 19.049 1.00 51.31 H new ATOM 0 HG2 LYS A 72 -13.726 -17.956 16.534 1.00 4.50 H new ATOM 0 HG3 LYS A 72 -12.626 -19.317 16.618 1.00 4.50 H new ATOM 0 HD2 LYS A 72 -14.275 -20.489 18.140 1.00 40.02 H new ATOM 0 HD3 LYS A 72 -15.387 -19.156 17.901 1.00 40.02 H new ATOM 0 HE2 LYS A 72 -15.468 -19.617 15.470 1.00 14.40 H new ATOM 0 HE3 LYS A 72 -14.279 -20.892 15.648 1.00 14.40 H new ATOM 0 HZ1 LYS A 72 -16.516 -21.779 15.619 1.00 21.34 H new ATOM 0 HZ2 LYS A 72 -15.796 -22.062 17.130 1.00 21.34 H new ATOM 0 HZ3 LYS A 72 -16.948 -20.827 16.957 1.00 21.34 H new ATOM 1164 N ALA A 73 -13.400 -15.646 21.007 1.00 13.54 N ATOM 1165 CA ALA A 73 -12.729 -14.926 22.065 1.00 51.35 C ATOM 1166 C ALA A 73 -12.665 -15.664 23.361 1.00 10.02 C ATOM 1167 O ALA A 73 -11.610 -15.680 23.973 1.00 44.33 O ATOM 1168 CB ALA A 73 -13.432 -13.609 22.378 1.00 20.44 C ATOM 0 H ALA A 73 -14.182 -15.124 20.611 1.00 13.54 H new ATOM 0 HA ALA A 73 -11.722 -14.778 21.675 1.00 51.35 H new ATOM 0 HB1 ALA A 73 -12.900 -13.094 23.178 1.00 20.44 H new ATOM 0 HB2 ALA A 73 -13.443 -12.981 21.487 1.00 20.44 H new ATOM 0 HB3 ALA A 73 -14.456 -13.809 22.693 1.00 20.44 H new ATOM 1174 N MET A 74 -13.751 -16.327 23.799 1.00 42.34 N ATOM 1175 CA MET A 74 -13.734 -17.022 25.076 1.00 22.41 C ATOM 1176 C MET A 74 -12.679 -18.128 25.120 1.00 54.32 C ATOM 1177 O MET A 74 -11.969 -18.283 26.110 1.00 2.12 O ATOM 1178 CB MET A 74 -15.114 -17.637 25.421 1.00 42.22 C ATOM 1179 CG MET A 74 -16.199 -16.582 25.710 1.00 14.24 C ATOM 1180 SD MET A 74 -17.803 -17.310 26.161 1.00 63.00 S ATOM 1181 CE MET A 74 -18.618 -15.722 26.492 1.00 52.22 C ATOM 0 H MET A 74 -14.632 -16.390 23.289 1.00 42.34 H new ATOM 0 HA MET A 74 -13.483 -16.263 25.817 1.00 22.41 H new ATOM 0 HB2 MET A 74 -15.441 -18.266 24.593 1.00 42.22 H new ATOM 0 HB3 MET A 74 -15.007 -18.285 26.291 1.00 42.22 H new ATOM 0 HG2 MET A 74 -15.861 -15.934 26.519 1.00 14.24 H new ATOM 0 HG3 MET A 74 -16.328 -15.952 24.830 1.00 14.24 H new ATOM 0 HE1 MET A 74 -19.649 -15.899 26.797 1.00 52.22 H new ATOM 0 HE2 MET A 74 -18.088 -15.200 27.289 1.00 52.22 H new ATOM 0 HE3 MET A 74 -18.606 -15.112 25.589 1.00 52.22 H new ATOM 1191 N GLU A 75 -12.537 -18.894 24.014 1.00 64.32 N ATOM 1192 CA GLU A 75 -11.516 -19.923 23.865 1.00 43.30 C ATOM 1193 C GLU A 75 -10.109 -19.361 23.689 1.00 14.14 C ATOM 1194 O GLU A 75 -9.159 -19.805 24.330 1.00 13.23 O ATOM 1195 CB GLU A 75 -11.846 -20.851 22.665 1.00 12.21 C ATOM 1196 CG GLU A 75 -13.110 -21.716 22.901 1.00 2.12 C ATOM 1197 CD GLU A 75 -13.448 -22.599 21.698 1.00 43.15 C ATOM 1198 OE1 GLU A 75 -13.409 -23.846 21.856 1.00 1.12 O ATOM 1199 OE2 GLU A 75 -13.765 -22.028 20.622 1.00 44.43 O ATOM 0 H GLU A 75 -13.142 -18.803 23.198 1.00 64.32 H new ATOM 0 HA GLU A 75 -11.527 -20.488 24.797 1.00 43.30 H new ATOM 0 HB2 GLU A 75 -11.989 -20.244 21.771 1.00 12.21 H new ATOM 0 HB3 GLU A 75 -10.995 -21.505 22.473 1.00 12.21 H new ATOM 0 HG2 GLU A 75 -12.957 -22.345 23.778 1.00 2.12 H new ATOM 0 HG3 GLU A 75 -13.957 -21.065 23.119 1.00 2.12 H new ATOM 1206 N PHE A 76 -9.973 -18.327 22.832 1.00 61.31 N ATOM 1207 CA PHE A 76 -8.763 -17.573 22.550 1.00 43.12 C ATOM 1208 C PHE A 76 -8.194 -16.882 23.771 1.00 52.54 C ATOM 1209 O PHE A 76 -7.006 -16.977 24.060 1.00 64.34 O ATOM 1210 CB PHE A 76 -9.089 -16.551 21.419 1.00 70.22 C ATOM 1211 CG PHE A 76 -8.013 -15.526 21.179 1.00 0.23 C ATOM 1212 CD1 PHE A 76 -6.789 -15.848 20.581 1.00 54.23 C ATOM 1213 CD2 PHE A 76 -8.219 -14.218 21.646 1.00 3.43 C ATOM 1214 CE1 PHE A 76 -5.813 -14.860 20.393 1.00 3.42 C ATOM 1215 CE2 PHE A 76 -7.214 -13.260 21.534 1.00 32.31 C ATOM 1216 CZ PHE A 76 -6.018 -13.568 20.882 1.00 33.41 C ATOM 0 H PHE A 76 -10.766 -17.985 22.290 1.00 61.31 H new ATOM 0 HA PHE A 76 -7.985 -18.266 22.229 1.00 43.12 H new ATOM 0 HB2 PHE A 76 -9.267 -17.097 20.493 1.00 70.22 H new ATOM 0 HB3 PHE A 76 -10.016 -16.035 21.668 1.00 70.22 H new ATOM 0 HD1 PHE A 76 -6.596 -16.862 20.263 1.00 54.23 H new ATOM 0 HD2 PHE A 76 -9.164 -13.952 22.096 1.00 3.43 H new ATOM 0 HE1 PHE A 76 -4.900 -15.098 19.868 1.00 3.42 H new ATOM 0 HE2 PHE A 76 -7.360 -12.275 21.953 1.00 32.31 H new ATOM 0 HZ PHE A 76 -5.257 -12.812 20.757 1.00 33.41 H new ATOM 1226 N ALA A 77 -9.040 -16.186 24.544 1.00 74.12 N ATOM 1227 CA ALA A 77 -8.642 -15.432 25.701 1.00 65.32 C ATOM 1228 C ALA A 77 -7.994 -16.293 26.774 1.00 52.41 C ATOM 1229 O ALA A 77 -6.977 -15.918 27.359 1.00 33.20 O ATOM 1230 CB ALA A 77 -9.895 -14.735 26.217 1.00 70.13 C ATOM 0 H ALA A 77 -10.043 -16.142 24.361 1.00 74.12 H new ATOM 0 HA ALA A 77 -7.874 -14.709 25.428 1.00 65.32 H new ATOM 0 HB1 ALA A 77 -9.646 -14.146 27.100 1.00 70.13 H new ATOM 0 HB2 ALA A 77 -10.291 -14.078 25.442 1.00 70.13 H new ATOM 0 HB3 ALA A 77 -10.645 -15.481 26.478 1.00 70.13 H new ATOM 1236 N MET A 78 -8.550 -17.507 27.009 1.00 3.50 N ATOM 1237 CA MET A 78 -7.983 -18.503 27.899 1.00 41.21 C ATOM 1238 C MET A 78 -6.618 -19.019 27.461 1.00 41.30 C ATOM 1239 O MET A 78 -5.741 -19.232 28.298 1.00 41.12 O ATOM 1240 CB MET A 78 -8.964 -19.676 28.141 1.00 64.33 C ATOM 1241 CG MET A 78 -10.187 -19.259 28.992 1.00 14.22 C ATOM 1242 SD MET A 78 -11.288 -20.638 29.459 1.00 3.35 S ATOM 1243 CE MET A 78 -11.758 -21.264 27.820 1.00 52.33 C ATOM 0 H MET A 78 -9.419 -17.809 26.569 1.00 3.50 H new ATOM 0 HA MET A 78 -7.820 -17.983 28.843 1.00 41.21 H new ATOM 0 HB2 MET A 78 -9.308 -20.062 27.181 1.00 64.33 H new ATOM 0 HB3 MET A 78 -8.437 -20.489 28.641 1.00 64.33 H new ATOM 0 HG2 MET A 78 -9.833 -18.770 29.899 1.00 14.22 H new ATOM 0 HG3 MET A 78 -10.765 -18.521 28.437 1.00 14.22 H new ATOM 0 HE1 MET A 78 -12.474 -22.078 27.933 1.00 52.33 H new ATOM 0 HE2 MET A 78 -12.211 -20.460 27.240 1.00 52.33 H new ATOM 0 HE3 MET A 78 -10.871 -21.630 27.302 1.00 52.33 H new ATOM 1253 N LYS A 79 -6.367 -19.172 26.136 1.00 61.51 N ATOM 1254 CA LYS A 79 -5.049 -19.523 25.601 1.00 31.30 C ATOM 1255 C LYS A 79 -3.985 -18.474 25.942 1.00 2.33 C ATOM 1256 O LYS A 79 -2.804 -18.785 26.077 1.00 71.23 O ATOM 1257 CB LYS A 79 -5.078 -19.684 24.056 1.00 23.23 C ATOM 1258 CG LYS A 79 -5.871 -20.899 23.540 1.00 30.42 C ATOM 1259 CD LYS A 79 -5.143 -22.240 23.746 1.00 63.20 C ATOM 1260 CE LYS A 79 -5.930 -23.475 23.292 1.00 2.21 C ATOM 1261 NZ LYS A 79 -6.325 -23.351 21.875 1.00 20.35 N ATOM 0 H LYS A 79 -7.081 -19.053 25.417 1.00 61.51 H new ATOM 0 HA LYS A 79 -4.790 -20.472 26.071 1.00 31.30 H new ATOM 0 HB2 LYS A 79 -5.504 -18.780 23.620 1.00 23.23 H new ATOM 0 HB3 LYS A 79 -4.052 -19.759 23.695 1.00 23.23 H new ATOM 0 HG2 LYS A 79 -6.835 -20.936 24.048 1.00 30.42 H new ATOM 0 HG3 LYS A 79 -6.075 -20.765 22.478 1.00 30.42 H new ATOM 0 HD2 LYS A 79 -4.197 -22.211 23.206 1.00 63.20 H new ATOM 0 HD3 LYS A 79 -4.903 -22.348 24.804 1.00 63.20 H new ATOM 0 HE2 LYS A 79 -5.322 -24.370 23.428 1.00 2.21 H new ATOM 0 HE3 LYS A 79 -6.818 -23.595 23.913 1.00 2.21 H new ATOM 0 HZ1 LYS A 79 -6.363 -24.295 21.441 1.00 20.35 H new ATOM 0 HZ2 LYS A 79 -7.262 -22.904 21.814 1.00 20.35 H new ATOM 0 HZ3 LYS A 79 -5.629 -22.766 21.370 1.00 20.35 H new ATOM 1275 N HIS A 80 -4.406 -17.203 26.115 1.00 71.11 N ATOM 1276 CA HIS A 80 -3.569 -16.071 26.460 1.00 41.03 C ATOM 1277 C HIS A 80 -3.517 -15.756 27.939 1.00 4.21 C ATOM 1278 O HIS A 80 -3.004 -14.712 28.338 1.00 63.34 O ATOM 1279 CB HIS A 80 -4.009 -14.841 25.650 1.00 15.22 C ATOM 1280 CG HIS A 80 -3.626 -15.026 24.206 1.00 40.34 C ATOM 1281 ND1 HIS A 80 -2.323 -14.904 23.801 1.00 33.11 N ATOM 1282 CD2 HIS A 80 -4.296 -15.606 23.188 1.00 72.21 C ATOM 1283 CE1 HIS A 80 -2.207 -15.399 22.582 1.00 31.21 C ATOM 1284 NE2 HIS A 80 -3.387 -15.840 22.192 1.00 30.40 N ATOM 0 H HIS A 80 -5.387 -16.943 26.009 1.00 71.11 H new ATOM 0 HA HIS A 80 -2.549 -16.351 26.199 1.00 41.03 H new ATOM 0 HB2 HIS A 80 -5.087 -14.702 25.736 1.00 15.22 H new ATOM 0 HB3 HIS A 80 -3.539 -13.942 26.049 1.00 15.22 H new ATOM 0 HD2 HIS A 80 -5.350 -15.841 23.164 1.00 72.21 H new ATOM 0 HE1 HIS A 80 -1.297 -15.436 22.001 1.00 31.21 H new ATOM 0 HE2 HIS A 80 -3.589 -16.283 21.296 1.00 30.40 H new ATOM 1293 N GLY A 81 -3.995 -16.674 28.807 1.00 35.04 N ATOM 1294 CA GLY A 81 -3.750 -16.580 30.239 1.00 44.15 C ATOM 1295 C GLY A 81 -4.843 -15.905 31.007 1.00 20.32 C ATOM 1296 O GLY A 81 -4.759 -15.789 32.227 1.00 3.44 O ATOM 0 H GLY A 81 -4.551 -17.483 28.529 1.00 35.04 H new ATOM 0 HA2 GLY A 81 -3.608 -17.584 30.638 1.00 44.15 H new ATOM 0 HA3 GLY A 81 -2.819 -16.037 30.402 1.00 44.15 H new ATOM 1300 N ALA A 82 -5.929 -15.474 30.333 1.00 24.04 N ATOM 1301 CA ALA A 82 -7.157 -15.141 31.037 1.00 50.34 C ATOM 1302 C ALA A 82 -7.796 -16.388 31.665 1.00 73.13 C ATOM 1303 O ALA A 82 -7.792 -17.471 31.089 1.00 70.43 O ATOM 1304 CB ALA A 82 -8.176 -14.480 30.086 1.00 51.01 C ATOM 0 H ALA A 82 -5.969 -15.354 29.321 1.00 24.04 H new ATOM 0 HA ALA A 82 -6.891 -14.440 31.828 1.00 50.34 H new ATOM 0 HB1 ALA A 82 -9.086 -14.241 30.637 1.00 51.01 H new ATOM 0 HB2 ALA A 82 -7.750 -13.565 29.675 1.00 51.01 H new ATOM 0 HB3 ALA A 82 -8.414 -15.167 29.273 1.00 51.01 H new ATOM 1310 N ASP A 83 -8.385 -16.282 32.880 1.00 3.52 N ATOM 1311 CA ASP A 83 -9.192 -17.365 33.423 1.00 62.25 C ATOM 1312 C ASP A 83 -10.581 -17.284 32.803 1.00 2.52 C ATOM 1313 O ASP A 83 -10.922 -16.307 32.141 1.00 1.12 O ATOM 1314 CB ASP A 83 -9.317 -17.305 34.965 1.00 54.43 C ATOM 1315 CG ASP A 83 -7.946 -17.449 35.617 1.00 34.55 C ATOM 1316 OD1 ASP A 83 -7.523 -16.477 36.293 1.00 1.30 O ATOM 1317 OD2 ASP A 83 -7.339 -18.540 35.470 1.00 61.43 O ATOM 0 H ASP A 83 -8.310 -15.464 33.484 1.00 3.52 H new ATOM 0 HA ASP A 83 -8.699 -18.306 33.180 1.00 62.25 H new ATOM 0 HB2 ASP A 83 -9.770 -16.360 35.263 1.00 54.43 H new ATOM 0 HB3 ASP A 83 -9.977 -18.099 35.314 1.00 54.43 H new ATOM 1322 N GLU A 84 -11.438 -18.310 33.008 1.00 44.21 N ATOM 1323 CA GLU A 84 -12.734 -18.399 32.340 1.00 62.14 C ATOM 1324 C GLU A 84 -13.678 -17.276 32.741 1.00 71.55 C ATOM 1325 O GLU A 84 -14.438 -16.747 31.934 1.00 73.31 O ATOM 1326 CB GLU A 84 -13.401 -19.790 32.560 1.00 72.33 C ATOM 1327 CG GLU A 84 -13.782 -20.136 34.019 1.00 63.42 C ATOM 1328 CD GLU A 84 -14.381 -21.540 34.148 1.00 72.21 C ATOM 1329 OE1 GLU A 84 -15.571 -21.635 34.542 1.00 41.43 O ATOM 1330 OE2 GLU A 84 -13.640 -22.519 33.873 1.00 32.03 O ATOM 0 H GLU A 84 -11.243 -19.088 33.638 1.00 44.21 H new ATOM 0 HA GLU A 84 -12.534 -18.284 31.275 1.00 62.14 H new ATOM 0 HB2 GLU A 84 -14.302 -19.840 31.949 1.00 72.33 H new ATOM 0 HB3 GLU A 84 -12.722 -20.559 32.191 1.00 72.33 H new ATOM 0 HG2 GLU A 84 -12.896 -20.062 34.650 1.00 63.42 H new ATOM 0 HG3 GLU A 84 -14.499 -19.403 34.388 1.00 63.42 H new ATOM 1337 N ALA A 85 -13.582 -16.864 34.021 1.00 60.31 N ATOM 1338 CA ALA A 85 -14.258 -15.731 34.608 1.00 61.31 C ATOM 1339 C ALA A 85 -13.773 -14.409 34.035 1.00 70.41 C ATOM 1340 O ALA A 85 -14.550 -13.518 33.701 1.00 62.31 O ATOM 1341 CB ALA A 85 -14.037 -15.764 36.132 1.00 51.13 C ATOM 0 H ALA A 85 -12.993 -17.353 34.696 1.00 60.31 H new ATOM 0 HA ALA A 85 -15.320 -15.804 34.373 1.00 61.31 H new ATOM 0 HB1 ALA A 85 -14.542 -14.914 36.591 1.00 51.13 H new ATOM 0 HB2 ALA A 85 -14.443 -16.690 36.539 1.00 51.13 H new ATOM 0 HB3 ALA A 85 -12.970 -15.711 36.346 1.00 51.13 H new ATOM 1347 N MET A 86 -12.438 -14.263 33.896 1.00 43.23 N ATOM 1348 CA MET A 86 -11.799 -13.072 33.390 1.00 51.31 C ATOM 1349 C MET A 86 -12.045 -12.879 31.906 1.00 5.21 C ATOM 1350 O MET A 86 -12.207 -11.759 31.427 1.00 22.10 O ATOM 1351 CB MET A 86 -10.282 -13.076 33.655 1.00 54.33 C ATOM 1352 CG MET A 86 -9.900 -13.149 35.150 1.00 4.40 C ATOM 1353 SD MET A 86 -10.695 -11.930 36.234 1.00 53.43 S ATOM 1354 CE MET A 86 -9.759 -12.399 37.716 1.00 34.13 C ATOM 0 H MET A 86 -11.776 -14.999 34.144 1.00 43.23 H new ATOM 0 HA MET A 86 -12.250 -12.240 33.931 1.00 51.31 H new ATOM 0 HB2 MET A 86 -9.836 -13.924 33.136 1.00 54.33 H new ATOM 0 HB3 MET A 86 -9.847 -12.174 33.224 1.00 54.33 H new ATOM 0 HG2 MET A 86 -10.142 -14.146 35.518 1.00 4.40 H new ATOM 0 HG3 MET A 86 -8.820 -13.031 35.235 1.00 4.40 H new ATOM 0 HE1 MET A 86 -10.070 -11.777 38.555 1.00 34.13 H new ATOM 0 HE2 MET A 86 -9.950 -13.446 37.951 1.00 34.13 H new ATOM 0 HE3 MET A 86 -8.694 -12.256 37.534 1.00 34.13 H new ATOM 1364 N ALA A 87 -12.081 -13.988 31.140 1.00 41.42 N ATOM 1365 CA ALA A 87 -12.396 -13.986 29.729 1.00 74.34 C ATOM 1366 C ALA A 87 -13.789 -13.438 29.427 1.00 63.13 C ATOM 1367 O ALA A 87 -13.970 -12.549 28.596 1.00 2.13 O ATOM 1368 CB ALA A 87 -12.286 -15.431 29.201 1.00 44.24 C ATOM 0 H ALA A 87 -11.886 -14.919 31.508 1.00 41.42 H new ATOM 0 HA ALA A 87 -11.686 -13.325 29.232 1.00 74.34 H new ATOM 0 HB1 ALA A 87 -12.521 -15.448 28.137 1.00 44.24 H new ATOM 0 HB2 ALA A 87 -11.271 -15.798 29.355 1.00 44.24 H new ATOM 0 HB3 ALA A 87 -12.988 -16.069 29.738 1.00 44.24 H new ATOM 1374 N LYS A 88 -14.820 -13.903 30.168 1.00 2.14 N ATOM 1375 CA LYS A 88 -16.174 -13.396 30.027 1.00 62.44 C ATOM 1376 C LYS A 88 -16.319 -11.984 30.557 1.00 13.14 C ATOM 1377 O LYS A 88 -17.134 -11.214 30.057 1.00 72.03 O ATOM 1378 CB LYS A 88 -17.254 -14.318 30.658 1.00 10.34 C ATOM 1379 CG LYS A 88 -17.216 -14.493 32.185 1.00 11.31 C ATOM 1380 CD LYS A 88 -18.382 -15.344 32.721 1.00 60.43 C ATOM 1381 CE LYS A 88 -19.714 -14.590 32.724 1.00 33.43 C ATOM 1382 NZ LYS A 88 -20.796 -15.478 33.193 1.00 33.52 N ATOM 0 H LYS A 88 -14.722 -14.635 30.872 1.00 2.14 H new ATOM 0 HA LYS A 88 -16.352 -13.383 28.952 1.00 62.44 H new ATOM 0 HB2 LYS A 88 -18.234 -13.927 30.386 1.00 10.34 H new ATOM 0 HB3 LYS A 88 -17.166 -15.304 30.202 1.00 10.34 H new ATOM 0 HG2 LYS A 88 -16.272 -14.959 32.469 1.00 11.31 H new ATOM 0 HG3 LYS A 88 -17.242 -13.512 32.659 1.00 11.31 H new ATOM 0 HD2 LYS A 88 -18.480 -16.243 32.112 1.00 60.43 H new ATOM 0 HD3 LYS A 88 -18.152 -15.670 33.735 1.00 60.43 H new ATOM 0 HE2 LYS A 88 -19.645 -13.715 33.370 1.00 33.43 H new ATOM 0 HE3 LYS A 88 -19.939 -14.228 31.721 1.00 33.43 H new ATOM 0 HZ1 LYS A 88 -21.697 -14.958 33.192 1.00 33.52 H new ATOM 0 HZ2 LYS A 88 -20.870 -16.300 32.560 1.00 33.52 H new ATOM 0 HZ3 LYS A 88 -20.585 -15.803 34.158 1.00 33.52 H new ATOM 1396 N GLN A 89 -15.480 -11.578 31.539 1.00 24.45 N ATOM 1397 CA GLN A 89 -15.380 -10.217 32.012 1.00 10.14 C ATOM 1398 C GLN A 89 -14.968 -9.214 30.960 1.00 55.42 C ATOM 1399 O GLN A 89 -15.573 -8.148 30.900 1.00 13.34 O ATOM 1400 CB GLN A 89 -14.449 -10.097 33.244 1.00 65.32 C ATOM 1401 CG GLN A 89 -14.256 -8.643 33.731 1.00 15.04 C ATOM 1402 CD GLN A 89 -13.675 -8.548 35.140 1.00 32.24 C ATOM 1403 OE1 GLN A 89 -14.265 -7.947 36.040 1.00 14.54 O ATOM 1404 NE2 GLN A 89 -12.480 -9.155 35.344 1.00 70.32 N ATOM 0 H GLN A 89 -14.849 -12.218 32.022 1.00 24.45 H new ATOM 0 HA GLN A 89 -16.400 -9.962 32.301 1.00 10.14 H new ATOM 0 HB2 GLN A 89 -14.859 -10.693 34.059 1.00 65.32 H new ATOM 0 HB3 GLN A 89 -13.476 -10.521 32.997 1.00 65.32 H new ATOM 0 HG2 GLN A 89 -13.597 -8.120 33.038 1.00 15.04 H new ATOM 0 HG3 GLN A 89 -15.217 -8.129 33.707 1.00 15.04 H new ATOM 0 HE21 GLN A 89 -12.019 -9.644 34.577 1.00 70.32 H new ATOM 0 HE22 GLN A 89 -12.042 -9.123 36.265 1.00 70.32 H new ATOM 1413 N LEU A 90 -13.989 -9.494 30.065 1.00 11.22 N ATOM 1414 CA LEU A 90 -13.646 -8.571 29.023 1.00 4.32 C ATOM 1415 C LEU A 90 -14.792 -8.333 28.048 1.00 74.31 C ATOM 1416 O LEU A 90 -15.091 -7.200 27.672 1.00 14.44 O ATOM 1417 CB LEU A 90 -12.397 -9.090 28.289 1.00 65.10 C ATOM 1418 CG LEU A 90 -11.062 -9.132 29.077 1.00 64.12 C ATOM 1419 CD1 LEU A 90 -9.896 -9.540 28.147 1.00 24.50 C ATOM 1420 CD2 LEU A 90 -10.715 -7.844 29.843 1.00 62.40 C ATOM 0 H LEU A 90 -13.441 -10.355 30.067 1.00 11.22 H new ATOM 0 HA LEU A 90 -13.435 -7.604 29.480 1.00 4.32 H new ATOM 0 HB2 LEU A 90 -12.610 -10.099 27.937 1.00 65.10 H new ATOM 0 HB3 LEU A 90 -12.245 -8.470 27.406 1.00 65.10 H new ATOM 0 HG LEU A 90 -11.212 -9.888 29.847 1.00 64.12 H new ATOM 0 HD11 LEU A 90 -8.967 -9.564 28.717 1.00 24.50 H new ATOM 0 HD12 LEU A 90 -10.092 -10.528 27.730 1.00 24.50 H new ATOM 0 HD13 LEU A 90 -9.806 -8.816 27.337 1.00 24.50 H new ATOM 0 HD21 LEU A 90 -9.765 -7.974 30.361 1.00 62.40 H new ATOM 0 HD22 LEU A 90 -10.636 -7.014 29.141 1.00 62.40 H new ATOM 0 HD23 LEU A 90 -11.498 -7.631 30.570 1.00 62.40 H new ATOM 1432 N LEU A 91 -15.510 -9.407 27.672 1.00 13.20 N ATOM 1433 CA LEU A 91 -16.717 -9.328 26.871 1.00 44.34 C ATOM 1434 C LEU A 91 -17.845 -8.585 27.611 1.00 41.34 C ATOM 1435 O LEU A 91 -18.567 -7.774 27.029 1.00 72.40 O ATOM 1436 CB LEU A 91 -17.120 -10.768 26.454 1.00 60.43 C ATOM 1437 CG LEU A 91 -16.118 -11.431 25.472 1.00 74.34 C ATOM 1438 CD1 LEU A 91 -16.002 -12.941 25.698 1.00 0.15 C ATOM 1439 CD2 LEU A 91 -16.519 -11.201 24.012 1.00 60.35 C ATOM 0 H LEU A 91 -15.254 -10.361 27.926 1.00 13.20 H new ATOM 0 HA LEU A 91 -16.529 -8.740 25.972 1.00 44.34 H new ATOM 0 HB2 LEU A 91 -17.204 -11.386 27.348 1.00 60.43 H new ATOM 0 HB3 LEU A 91 -18.106 -10.741 25.991 1.00 60.43 H new ATOM 0 HG LEU A 91 -15.156 -10.958 25.672 1.00 74.34 H new ATOM 0 HD11 LEU A 91 -15.290 -13.362 24.988 1.00 0.15 H new ATOM 0 HD12 LEU A 91 -15.657 -13.131 26.714 1.00 0.15 H new ATOM 0 HD13 LEU A 91 -16.977 -13.407 25.553 1.00 0.15 H new ATOM 0 HD21 LEU A 91 -15.793 -11.680 23.355 1.00 60.35 H new ATOM 0 HD22 LEU A 91 -17.506 -11.628 23.834 1.00 60.35 H new ATOM 0 HD23 LEU A 91 -16.544 -10.131 23.806 1.00 60.35 H new ATOM 1451 N ASP A 92 -18.003 -8.828 28.935 1.00 30.31 N ATOM 1452 CA ASP A 92 -18.956 -8.165 29.808 1.00 34.33 C ATOM 1453 C ASP A 92 -18.705 -6.678 30.025 1.00 4.42 C ATOM 1454 O ASP A 92 -19.642 -5.888 29.984 1.00 63.30 O ATOM 1455 CB ASP A 92 -19.033 -8.950 31.129 1.00 64.32 C ATOM 1456 CG ASP A 92 -20.119 -8.518 32.108 1.00 54.11 C ATOM 1457 OD1 ASP A 92 -21.319 -8.702 31.766 1.00 24.25 O ATOM 1458 OD2 ASP A 92 -19.759 -8.032 33.210 1.00 54.01 O ATOM 0 H ASP A 92 -17.440 -9.522 29.427 1.00 30.31 H new ATOM 0 HA ASP A 92 -19.923 -8.177 29.306 1.00 34.33 H new ATOM 0 HB2 ASP A 92 -19.184 -10.003 30.893 1.00 64.32 H new ATOM 0 HB3 ASP A 92 -18.069 -8.871 31.631 1.00 64.32 H new ATOM 1463 N ILE A 93 -17.431 -6.254 30.208 1.00 42.50 N ATOM 1464 CA ILE A 93 -17.025 -4.844 30.262 1.00 4.41 C ATOM 1465 C ILE A 93 -17.415 -4.166 28.979 1.00 55.23 C ATOM 1466 O ILE A 93 -17.979 -3.075 28.992 1.00 1.41 O ATOM 1467 CB ILE A 93 -15.515 -4.623 30.380 1.00 34.41 C ATOM 1468 CG1 ILE A 93 -14.929 -5.036 31.744 1.00 2.33 C ATOM 1469 CG2 ILE A 93 -15.125 -3.156 30.078 1.00 15.42 C ATOM 1470 CD1 ILE A 93 -13.391 -5.143 31.749 1.00 1.51 C ATOM 0 H ILE A 93 -16.650 -6.900 30.323 1.00 42.50 H new ATOM 0 HA ILE A 93 -17.517 -4.446 31.150 1.00 4.41 H new ATOM 0 HB ILE A 93 -15.080 -5.281 29.627 1.00 34.41 H new ATOM 0 HG12 ILE A 93 -15.237 -4.310 32.497 1.00 2.33 H new ATOM 0 HG13 ILE A 93 -15.353 -5.997 32.036 1.00 2.33 H new ATOM 0 HG21 ILE A 93 -14.045 -3.040 30.172 1.00 15.42 H new ATOM 0 HG22 ILE A 93 -15.430 -2.900 29.063 1.00 15.42 H new ATOM 0 HG23 ILE A 93 -15.624 -2.494 30.785 1.00 15.42 H new ATOM 0 HD11 ILE A 93 -13.050 -5.438 32.741 1.00 1.51 H new ATOM 0 HD12 ILE A 93 -13.076 -5.890 31.020 1.00 1.51 H new ATOM 0 HD13 ILE A 93 -12.958 -4.177 31.489 1.00 1.51 H new ATOM 1482 N LYS A 94 -17.148 -4.831 27.833 1.00 25.11 N ATOM 1483 CA LYS A 94 -17.439 -4.299 26.530 1.00 32.11 C ATOM 1484 C LYS A 94 -18.906 -3.991 26.408 1.00 42.32 C ATOM 1485 O LYS A 94 -19.262 -2.841 26.190 1.00 51.40 O ATOM 1486 CB LYS A 94 -16.985 -5.326 25.441 1.00 32.03 C ATOM 1487 CG LYS A 94 -17.946 -5.473 24.246 1.00 31.53 C ATOM 1488 CD LYS A 94 -17.422 -6.203 23.005 1.00 43.13 C ATOM 1489 CE LYS A 94 -18.159 -5.647 21.792 1.00 54.24 C ATOM 1490 NZ LYS A 94 -17.593 -6.137 20.525 1.00 0.14 N ATOM 0 H LYS A 94 -16.721 -5.757 27.812 1.00 25.11 H new ATOM 0 HA LYS A 94 -16.892 -3.368 26.383 1.00 32.11 H new ATOM 0 HB2 LYS A 94 -16.006 -5.027 25.066 1.00 32.03 H new ATOM 0 HB3 LYS A 94 -16.862 -6.302 25.911 1.00 32.03 H new ATOM 0 HG2 LYS A 94 -18.837 -5.996 24.593 1.00 31.53 H new ATOM 0 HG3 LYS A 94 -18.260 -4.475 23.942 1.00 31.53 H new ATOM 0 HD2 LYS A 94 -16.347 -6.055 22.900 1.00 43.13 H new ATOM 0 HD3 LYS A 94 -17.589 -7.276 23.094 1.00 43.13 H new ATOM 0 HE2 LYS A 94 -19.211 -5.925 21.849 1.00 54.24 H new ATOM 0 HE3 LYS A 94 -18.116 -4.558 21.810 1.00 54.24 H new ATOM 0 HZ1 LYS A 94 -17.638 -5.383 19.810 1.00 0.14 H new ATOM 0 HZ2 LYS A 94 -16.602 -6.416 20.672 1.00 0.14 H new ATOM 0 HZ3 LYS A 94 -18.139 -6.959 20.196 1.00 0.14 H new ATOM 1504 N HIS A 95 -19.808 -4.957 26.673 1.00 63.11 N ATOM 1505 CA HIS A 95 -21.218 -4.772 26.395 1.00 12.45 C ATOM 1506 C HIS A 95 -21.790 -3.762 27.346 1.00 22.30 C ATOM 1507 O HIS A 95 -22.698 -3.002 27.023 1.00 14.12 O ATOM 1508 CB HIS A 95 -22.027 -6.067 26.533 1.00 31.22 C ATOM 1509 CG HIS A 95 -22.509 -6.525 27.849 1.00 54.41 C ATOM 1510 ND1 HIS A 95 -23.609 -6.116 28.545 1.00 62.44 N ATOM 1511 CD2 HIS A 95 -21.931 -7.497 28.537 1.00 33.20 C ATOM 1512 CE1 HIS A 95 -23.669 -6.816 29.664 1.00 42.14 C ATOM 1513 NE2 HIS A 95 -22.650 -7.660 29.685 1.00 73.04 N ATOM 0 H HIS A 95 -19.572 -5.863 27.077 1.00 63.11 H new ATOM 0 HA HIS A 95 -21.291 -4.434 25.361 1.00 12.45 H new ATOM 0 HB2 HIS A 95 -22.901 -5.967 25.890 1.00 31.22 H new ATOM 0 HB3 HIS A 95 -21.417 -6.870 26.119 1.00 31.22 H new ATOM 0 HD2 HIS A 95 -21.055 -8.056 28.244 1.00 33.20 H new ATOM 0 HE1 HIS A 95 -24.422 -6.716 30.432 1.00 42.14 H new ATOM 0 HE2 HIS A 95 -22.438 -8.321 30.433 1.00 73.04 H new ATOM 1522 N SER A 96 -21.205 -3.754 28.563 1.00 75.14 N ATOM 1523 CA SER A 96 -21.580 -2.828 29.631 1.00 43.32 C ATOM 1524 C SER A 96 -21.261 -1.391 29.249 1.00 2.33 C ATOM 1525 O SER A 96 -22.057 -0.470 29.411 1.00 30.25 O ATOM 1526 CB SER A 96 -20.865 -3.181 30.958 1.00 13.20 C ATOM 1527 OG SER A 96 -21.274 -2.358 32.052 1.00 15.11 O ATOM 0 H SER A 96 -20.457 -4.396 28.824 1.00 75.14 H new ATOM 0 HA SER A 96 -22.656 -2.925 29.775 1.00 43.32 H new ATOM 0 HB2 SER A 96 -21.062 -4.225 31.203 1.00 13.20 H new ATOM 0 HB3 SER A 96 -19.788 -3.083 30.821 1.00 13.20 H new ATOM 0 HG SER A 96 -20.792 -2.627 32.862 1.00 15.11 H new ATOM 1533 N CYS A 97 -20.067 -1.192 28.667 1.00 61.41 N ATOM 1534 CA CYS A 97 -19.617 0.057 28.099 1.00 33.03 C ATOM 1535 C CYS A 97 -20.378 0.525 26.882 1.00 32.44 C ATOM 1536 O CYS A 97 -20.548 1.725 26.688 1.00 14.43 O ATOM 1537 CB CYS A 97 -18.108 0.030 27.799 1.00 63.23 C ATOM 1538 SG CYS A 97 -17.047 0.358 29.227 1.00 65.31 S ATOM 0 H CYS A 97 -19.373 -1.935 28.584 1.00 61.41 H new ATOM 0 HA CYS A 97 -19.828 0.790 28.877 1.00 33.03 H new ATOM 0 HB2 CYS A 97 -17.850 -0.947 27.389 1.00 63.23 H new ATOM 0 HB3 CYS A 97 -17.892 0.767 27.026 1.00 63.23 H new ATOM 1543 N GLU A 98 -20.884 -0.396 26.036 1.00 62.42 N ATOM 1544 CA GLU A 98 -21.579 -0.096 24.787 1.00 24.35 C ATOM 1545 C GLU A 98 -22.831 0.730 25.044 1.00 1.14 C ATOM 1546 O GLU A 98 -23.277 1.508 24.209 1.00 34.35 O ATOM 1547 CB GLU A 98 -22.034 -1.374 24.027 1.00 63.34 C ATOM 1548 CG GLU A 98 -20.889 -2.300 23.566 1.00 41.21 C ATOM 1549 CD GLU A 98 -21.335 -3.328 22.528 1.00 70.14 C ATOM 1550 OE1 GLU A 98 -20.860 -3.231 21.367 1.00 21.14 O ATOM 1551 OE2 GLU A 98 -22.147 -4.217 22.892 1.00 4.21 O ATOM 0 H GLU A 98 -20.813 -1.397 26.218 1.00 62.42 H new ATOM 0 HA GLU A 98 -20.856 0.452 24.182 1.00 24.35 H new ATOM 0 HB2 GLU A 98 -22.704 -1.943 24.672 1.00 63.34 H new ATOM 0 HB3 GLU A 98 -22.612 -1.073 23.153 1.00 63.34 H new ATOM 0 HG2 GLU A 98 -20.085 -1.694 23.148 1.00 41.21 H new ATOM 0 HG3 GLU A 98 -20.479 -2.820 24.432 1.00 41.21 H new ATOM 1558 N LYS A 99 -23.416 0.537 26.240 1.00 72.33 N ATOM 1559 CA LYS A 99 -24.612 1.159 26.750 1.00 73.21 C ATOM 1560 C LYS A 99 -24.348 2.612 27.086 1.00 64.05 C ATOM 1561 O LYS A 99 -25.190 3.482 26.874 1.00 54.14 O ATOM 1562 CB LYS A 99 -25.032 0.438 28.053 1.00 35.22 C ATOM 1563 CG LYS A 99 -25.369 -1.051 27.873 1.00 61.44 C ATOM 1564 CD LYS A 99 -25.387 -1.809 29.216 1.00 72.41 C ATOM 1565 CE LYS A 99 -26.770 -1.875 29.858 1.00 2.30 C ATOM 1566 NZ LYS A 99 -26.701 -2.638 31.119 1.00 32.22 N ATOM 0 H LYS A 99 -23.017 -0.115 26.916 1.00 72.33 H new ATOM 0 HA LYS A 99 -25.393 1.093 25.993 1.00 73.21 H new ATOM 0 HB2 LYS A 99 -24.226 0.530 28.781 1.00 35.22 H new ATOM 0 HB3 LYS A 99 -25.900 0.947 28.472 1.00 35.22 H new ATOM 0 HG2 LYS A 99 -26.342 -1.146 27.391 1.00 61.44 H new ATOM 0 HG3 LYS A 99 -24.637 -1.510 27.208 1.00 61.44 H new ATOM 0 HD2 LYS A 99 -25.020 -2.823 29.057 1.00 72.41 H new ATOM 0 HD3 LYS A 99 -24.697 -1.325 29.907 1.00 72.41 H new ATOM 0 HE2 LYS A 99 -27.139 -0.868 30.052 1.00 2.30 H new ATOM 0 HE3 LYS A 99 -27.476 -2.347 29.175 1.00 2.30 H new ATOM 0 HZ1 LYS A 99 -27.646 -2.680 31.552 1.00 32.22 H new ATOM 0 HZ2 LYS A 99 -26.367 -3.603 30.923 1.00 32.22 H new ATOM 0 HZ3 LYS A 99 -26.041 -2.170 31.772 1.00 32.22 H new ATOM 1580 N VAL A 100 -23.165 2.873 27.695 1.00 41.41 N ATOM 1581 CA VAL A 100 -22.878 4.123 28.371 1.00 2.41 C ATOM 1582 C VAL A 100 -22.158 5.088 27.454 1.00 3.31 C ATOM 1583 O VAL A 100 -22.272 6.304 27.596 1.00 53.15 O ATOM 1584 CB VAL A 100 -22.074 3.941 29.663 1.00 23.32 C ATOM 1585 CG1 VAL A 100 -22.873 3.008 30.587 1.00 43.35 C ATOM 1586 CG2 VAL A 100 -20.650 3.415 29.443 1.00 44.01 C ATOM 0 H VAL A 100 -22.393 2.207 27.721 1.00 41.41 H new ATOM 0 HA VAL A 100 -23.847 4.538 28.648 1.00 2.41 H new ATOM 0 HB VAL A 100 -21.937 4.922 30.118 1.00 23.32 H new ATOM 0 HG11 VAL A 100 -22.324 2.860 31.517 1.00 43.35 H new ATOM 0 HG12 VAL A 100 -23.843 3.455 30.805 1.00 43.35 H new ATOM 0 HG13 VAL A 100 -23.020 2.047 30.095 1.00 43.35 H new ATOM 0 HG21 VAL A 100 -20.147 3.314 30.405 1.00 44.01 H new ATOM 0 HG22 VAL A 100 -20.693 2.443 28.952 1.00 44.01 H new ATOM 0 HG23 VAL A 100 -20.097 4.114 28.816 1.00 44.01 H new ATOM 1596 N ILE A 101 -21.398 4.556 26.473 1.00 0.03 N ATOM 1597 CA ILE A 101 -20.754 5.353 25.444 1.00 3.41 C ATOM 1598 C ILE A 101 -21.711 5.907 24.408 1.00 24.41 C ATOM 1599 O ILE A 101 -22.784 5.369 24.141 1.00 2.41 O ATOM 1600 CB ILE A 101 -19.650 4.623 24.701 1.00 11.55 C ATOM 1601 CG1 ILE A 101 -20.132 3.353 23.962 1.00 42.14 C ATOM 1602 CG2 ILE A 101 -18.503 4.317 25.681 1.00 22.51 C ATOM 1603 CD1 ILE A 101 -19.572 3.253 22.547 1.00 13.30 C ATOM 0 H ILE A 101 -21.222 3.555 26.385 1.00 0.03 H new ATOM 0 HA ILE A 101 -20.324 6.174 26.018 1.00 3.41 H new ATOM 0 HB ILE A 101 -19.291 5.281 23.910 1.00 11.55 H new ATOM 0 HG12 ILE A 101 -19.835 2.471 24.530 1.00 42.14 H new ATOM 0 HG13 ILE A 101 -21.221 3.353 23.919 1.00 42.14 H new ATOM 0 HG21 ILE A 101 -17.705 3.792 25.155 1.00 22.51 H new ATOM 0 HG22 ILE A 101 -18.115 5.250 26.090 1.00 22.51 H new ATOM 0 HG23 ILE A 101 -18.875 3.692 26.493 1.00 22.51 H new ATOM 0 HD11 ILE A 101 -19.941 2.344 22.073 1.00 13.30 H new ATOM 0 HD12 ILE A 101 -19.891 4.119 21.968 1.00 13.30 H new ATOM 0 HD13 ILE A 101 -18.483 3.224 22.588 1.00 13.30 H new ATOM 1615 N THR A 102 -21.304 7.014 23.745 1.00 20.21 N ATOM 1616 CA THR A 102 -21.942 7.433 22.509 1.00 24.31 C ATOM 1617 C THR A 102 -21.677 6.457 21.385 1.00 60.30 C ATOM 1618 O THR A 102 -20.534 6.200 21.001 1.00 14.03 O ATOM 1619 CB THR A 102 -21.551 8.836 22.057 1.00 73.44 C ATOM 1620 OG1 THR A 102 -21.950 9.791 23.029 1.00 52.30 O ATOM 1621 CG2 THR A 102 -22.178 9.218 20.699 1.00 72.24 C ATOM 0 H THR A 102 -20.542 7.618 24.054 1.00 20.21 H new ATOM 0 HA THR A 102 -23.007 7.450 22.740 1.00 24.31 H new ATOM 0 HB THR A 102 -20.467 8.836 21.941 1.00 73.44 H new ATOM 0 HG1 THR A 102 -21.693 10.688 22.731 1.00 52.30 H new ATOM 0 HG21 THR A 102 -21.867 10.226 20.425 1.00 72.24 H new ATOM 0 HG22 THR A 102 -21.846 8.516 19.935 1.00 72.24 H new ATOM 0 HG23 THR A 102 -23.265 9.182 20.777 1.00 72.24 H new ATOM 1629 N ILE A 103 -22.785 5.952 20.808 1.00 60.31 N ATOM 1630 CA ILE A 103 -22.894 5.129 19.648 1.00 73.34 C ATOM 1631 C ILE A 103 -23.379 6.065 18.601 1.00 1.24 C ATOM 1632 O ILE A 103 -24.324 6.827 18.808 1.00 33.40 O ATOM 1633 CB ILE A 103 -23.889 3.986 19.747 1.00 41.45 C ATOM 1634 CG1 ILE A 103 -23.471 3.027 20.881 1.00 34.03 C ATOM 1635 CG2 ILE A 103 -24.107 3.293 18.369 1.00 44.43 C ATOM 1636 CD1 ILE A 103 -24.401 1.829 21.002 1.00 70.43 C ATOM 0 H ILE A 103 -23.704 6.147 21.205 1.00 60.31 H new ATOM 0 HA ILE A 103 -21.934 4.647 19.464 1.00 73.34 H new ATOM 0 HB ILE A 103 -24.870 4.378 20.015 1.00 41.45 H new ATOM 0 HG12 ILE A 103 -22.454 2.677 20.701 1.00 34.03 H new ATOM 0 HG13 ILE A 103 -23.458 3.570 21.826 1.00 34.03 H new ATOM 0 HG21 ILE A 103 -24.825 2.481 18.480 1.00 44.43 H new ATOM 0 HG22 ILE A 103 -24.489 4.020 17.653 1.00 44.43 H new ATOM 0 HG23 ILE A 103 -23.159 2.893 18.009 1.00 44.43 H new ATOM 0 HD11 ILE A 103 -24.062 1.186 21.814 1.00 70.43 H new ATOM 0 HD12 ILE A 103 -25.414 2.174 21.210 1.00 70.43 H new ATOM 0 HD13 ILE A 103 -24.394 1.267 20.068 1.00 70.43 H new ATOM 1648 N VAL A 104 -22.722 6.028 17.445 1.00 71.55 N ATOM 1649 CA VAL A 104 -23.113 6.852 16.349 1.00 63.13 C ATOM 1650 C VAL A 104 -23.613 5.909 15.282 1.00 3.24 C ATOM 1651 O VAL A 104 -22.933 4.965 14.886 1.00 73.44 O ATOM 1652 CB VAL A 104 -21.972 7.599 15.760 1.00 53.23 C ATOM 1653 CG1 VAL A 104 -22.414 8.585 14.728 1.00 44.32 C ATOM 1654 CG2 VAL A 104 -21.045 8.279 16.758 1.00 20.04 C ATOM 0 H VAL A 104 -21.917 5.429 17.261 1.00 71.55 H new ATOM 0 HA VAL A 104 -23.849 7.577 16.696 1.00 63.13 H new ATOM 0 HB VAL A 104 -21.380 6.814 15.290 1.00 53.23 H new ATOM 0 HG11 VAL A 104 -21.545 9.106 14.327 1.00 44.32 H new ATOM 0 HG12 VAL A 104 -22.928 8.062 13.921 1.00 44.32 H new ATOM 0 HG13 VAL A 104 -23.092 9.307 15.182 1.00 44.32 H new ATOM 0 HG21 VAL A 104 -20.248 8.794 16.222 1.00 20.04 H new ATOM 0 HG22 VAL A 104 -21.611 9.000 17.348 1.00 20.04 H new ATOM 0 HG23 VAL A 104 -20.611 7.530 17.420 1.00 20.04 H new ATOM 1664 N ALA A 105 -24.816 6.173 14.763 1.00 21.55 N ATOM 1665 CA ALA A 105 -25.344 5.498 13.599 1.00 31.55 C ATOM 1666 C ALA A 105 -24.556 5.730 12.314 1.00 63.21 C ATOM 1667 O ALA A 105 -24.254 4.802 11.569 1.00 34.33 O ATOM 1668 CB ALA A 105 -26.800 5.934 13.368 1.00 2.25 C ATOM 0 H ALA A 105 -25.449 6.872 15.152 1.00 21.55 H new ATOM 0 HA ALA A 105 -25.267 4.433 13.820 1.00 31.55 H new ATOM 0 HB1 ALA A 105 -27.197 5.425 12.490 1.00 2.25 H new ATOM 0 HB2 ALA A 105 -27.400 5.675 14.240 1.00 2.25 H new ATOM 0 HB3 ALA A 105 -26.836 7.012 13.209 1.00 2.25 H new ATOM 1674 N ASP A 106 -24.194 7.002 12.046 1.00 64.15 N ATOM 1675 CA ASP A 106 -23.390 7.432 10.920 1.00 12.30 C ATOM 1676 C ASP A 106 -21.955 6.915 10.926 1.00 40.42 C ATOM 1677 O ASP A 106 -21.378 6.648 9.876 1.00 51.21 O ATOM 1678 CB ASP A 106 -23.374 8.981 10.830 1.00 45.41 C ATOM 1679 CG ASP A 106 -24.764 9.499 10.481 1.00 21.12 C ATOM 1680 OD1 ASP A 106 -25.240 9.213 9.353 1.00 13.11 O ATOM 1681 OD2 ASP A 106 -25.361 10.176 11.358 1.00 50.34 O ATOM 0 H ASP A 106 -24.475 7.779 12.644 1.00 64.15 H new ATOM 0 HA ASP A 106 -23.869 6.993 10.045 1.00 12.30 H new ATOM 0 HB2 ASP A 106 -23.047 9.405 11.779 1.00 45.41 H new ATOM 0 HB3 ASP A 106 -22.657 9.302 10.074 1.00 45.41 H new ATOM 1686 N ASP A 107 -21.329 6.844 12.116 1.00 65.11 N ATOM 1687 CA ASP A 107 -19.891 6.745 12.248 1.00 1.23 C ATOM 1688 C ASP A 107 -19.559 5.570 13.171 1.00 43.15 C ATOM 1689 O ASP A 107 -19.486 5.782 14.382 1.00 74.51 O ATOM 1690 CB ASP A 107 -19.351 8.091 12.821 1.00 41.14 C ATOM 1691 CG ASP A 107 -17.838 8.241 12.767 1.00 24.11 C ATOM 1692 OD1 ASP A 107 -17.157 7.516 13.536 1.00 13.32 O ATOM 1693 OD2 ASP A 107 -17.353 9.089 11.976 1.00 62.20 O ATOM 0 H ASP A 107 -21.823 6.855 13.008 1.00 65.11 H new ATOM 0 HA ASP A 107 -19.418 6.565 11.282 1.00 1.23 H new ATOM 0 HB2 ASP A 107 -19.804 8.914 12.268 1.00 41.14 H new ATOM 0 HB3 ASP A 107 -19.676 8.186 13.857 1.00 41.14 H new ATOM 1698 N PRO A 108 -19.311 4.342 12.720 1.00 2.02 N ATOM 1699 CA PRO A 108 -19.018 3.216 13.610 1.00 15.32 C ATOM 1700 C PRO A 108 -17.666 3.354 14.289 1.00 55.02 C ATOM 1701 O PRO A 108 -17.385 2.614 15.231 1.00 71.31 O ATOM 1702 CB PRO A 108 -19.067 1.998 12.670 1.00 40.22 C ATOM 1703 CG PRO A 108 -18.676 2.562 11.301 1.00 12.11 C ATOM 1704 CD PRO A 108 -19.343 3.938 11.311 1.00 24.31 C ATOM 0 HA PRO A 108 -19.724 3.143 14.437 1.00 15.32 H new ATOM 0 HB2 PRO A 108 -18.376 1.219 12.992 1.00 40.22 H new ATOM 0 HB3 PRO A 108 -20.061 1.552 12.648 1.00 40.22 H new ATOM 0 HG2 PRO A 108 -17.595 2.635 11.186 1.00 12.11 H new ATOM 0 HG3 PRO A 108 -19.042 1.939 10.485 1.00 12.11 H new ATOM 0 HD2 PRO A 108 -18.805 4.646 10.681 1.00 24.31 H new ATOM 0 HD3 PRO A 108 -20.364 3.888 10.934 1.00 24.31 H new ATOM 1712 N CYS A 109 -16.806 4.275 13.807 1.00 24.11 N ATOM 1713 CA CYS A 109 -15.467 4.499 14.295 1.00 21.30 C ATOM 1714 C CYS A 109 -15.497 5.138 15.679 1.00 43.13 C ATOM 1715 O CYS A 109 -14.796 4.698 16.586 1.00 55.43 O ATOM 1716 CB CYS A 109 -14.680 5.364 13.284 1.00 12.04 C ATOM 1717 SG CYS A 109 -14.602 4.569 11.642 1.00 10.53 S ATOM 0 H CYS A 109 -17.054 4.897 13.038 1.00 24.11 H new ATOM 0 HA CYS A 109 -14.957 3.541 14.393 1.00 21.30 H new ATOM 0 HB2 CYS A 109 -15.153 6.342 13.194 1.00 12.04 H new ATOM 0 HB3 CYS A 109 -13.670 5.532 13.656 1.00 12.04 H new ATOM 1722 N GLN A 110 -16.380 6.148 15.901 1.00 33.22 N ATOM 1723 CA GLN A 110 -16.679 6.701 17.220 1.00 22.13 C ATOM 1724 C GLN A 110 -17.241 5.668 18.150 1.00 13.13 C ATOM 1725 O GLN A 110 -16.751 5.543 19.264 1.00 0.31 O ATOM 1726 CB GLN A 110 -17.698 7.878 17.177 1.00 64.01 C ATOM 1727 CG GLN A 110 -17.143 9.262 17.588 1.00 13.53 C ATOM 1728 CD GLN A 110 -16.436 9.950 16.430 1.00 61.22 C ATOM 1729 OE1 GLN A 110 -15.449 9.227 15.856 1.00 4.03 O flip ATOM 1730 NE2 GLN A 110 -16.767 11.065 16.019 1.00 41.12 N flip ATOM 0 H GLN A 110 -16.903 6.597 15.149 1.00 33.22 H new ATOM 0 HA GLN A 110 -15.717 7.065 17.582 1.00 22.13 H new ATOM 0 HB2 GLN A 110 -18.096 7.953 16.165 1.00 64.01 H new ATOM 0 HB3 GLN A 110 -18.535 7.634 17.831 1.00 64.01 H new ATOM 0 HG2 GLN A 110 -17.960 9.891 17.942 1.00 13.53 H new ATOM 0 HG3 GLN A 110 -16.449 9.143 18.420 1.00 13.53 H new ATOM 0 HE21 GLN A 110 -17.518 11.577 16.482 1.00 41.12 H new ATOM 0 HE22 GLN A 110 -16.290 11.475 15.216 1.00 41.12 H new ATOM 1739 N THR A 111 -18.214 4.847 17.692 1.00 72.34 N ATOM 1740 CA THR A 111 -18.739 3.752 18.513 1.00 34.32 C ATOM 1741 C THR A 111 -17.629 2.798 18.958 1.00 65.02 C ATOM 1742 O THR A 111 -17.540 2.464 20.136 1.00 61.44 O ATOM 1743 CB THR A 111 -19.793 2.919 17.801 1.00 12.10 C ATOM 1744 OG1 THR A 111 -20.864 3.745 17.367 1.00 24.22 O ATOM 1745 CG2 THR A 111 -20.366 1.832 18.745 1.00 13.23 C ATOM 0 H THR A 111 -18.641 4.927 16.769 1.00 72.34 H new ATOM 0 HA THR A 111 -19.194 4.246 19.372 1.00 34.32 H new ATOM 0 HB THR A 111 -19.315 2.444 16.944 1.00 12.10 H new ATOM 0 HG1 THR A 111 -21.361 3.290 16.656 1.00 24.22 H new ATOM 0 HG21 THR A 111 -21.118 1.249 18.214 1.00 13.23 H new ATOM 0 HG22 THR A 111 -19.561 1.174 19.073 1.00 13.23 H new ATOM 0 HG23 THR A 111 -20.822 2.308 19.613 1.00 13.23 H new ATOM 1753 N MET A 112 -16.714 2.383 18.049 1.00 41.12 N ATOM 1754 CA MET A 112 -15.582 1.538 18.394 1.00 62.52 C ATOM 1755 C MET A 112 -14.569 2.195 19.331 1.00 11.24 C ATOM 1756 O MET A 112 -14.207 1.633 20.360 1.00 3.13 O ATOM 1757 CB MET A 112 -14.811 1.109 17.120 1.00 35.13 C ATOM 1758 CG MET A 112 -13.748 0.025 17.370 1.00 53.54 C ATOM 1759 SD MET A 112 -14.362 -1.550 18.061 1.00 31.41 S ATOM 1760 CE MET A 112 -15.560 -2.017 16.777 1.00 54.03 C ATOM 0 H MET A 112 -16.754 2.633 17.061 1.00 41.12 H new ATOM 0 HA MET A 112 -16.025 0.687 18.911 1.00 62.52 H new ATOM 0 HB2 MET A 112 -15.524 0.741 16.382 1.00 35.13 H new ATOM 0 HB3 MET A 112 -14.328 1.985 16.687 1.00 35.13 H new ATOM 0 HG2 MET A 112 -13.244 -0.186 16.427 1.00 53.54 H new ATOM 0 HG3 MET A 112 -12.997 0.429 18.049 1.00 53.54 H new ATOM 0 HE1 MET A 112 -15.938 -3.019 16.979 1.00 54.03 H new ATOM 0 HE2 MET A 112 -16.389 -1.309 16.778 1.00 54.03 H new ATOM 0 HE3 MET A 112 -15.072 -2.003 15.802 1.00 54.03 H new ATOM 1770 N LEU A 113 -14.105 3.425 19.009 1.00 2.54 N ATOM 1771 CA LEU A 113 -13.104 4.170 19.773 1.00 44.42 C ATOM 1772 C LEU A 113 -13.599 4.581 21.136 1.00 63.33 C ATOM 1773 O LEU A 113 -12.922 4.370 22.141 1.00 11.41 O ATOM 1774 CB LEU A 113 -12.680 5.384 18.924 1.00 30.43 C ATOM 1775 CG LEU A 113 -11.416 6.239 19.229 1.00 4.22 C ATOM 1776 CD1 LEU A 113 -11.566 7.706 18.759 1.00 30.12 C ATOM 1777 CD2 LEU A 113 -10.719 6.113 20.587 1.00 45.53 C ATOM 0 H LEU A 113 -14.432 3.931 18.186 1.00 2.54 H new ATOM 0 HA LEU A 113 -12.245 3.528 19.970 1.00 44.42 H new ATOM 0 HB2 LEU A 113 -12.567 5.021 17.902 1.00 30.43 H new ATOM 0 HB3 LEU A 113 -13.525 6.072 18.927 1.00 30.43 H new ATOM 0 HG LEU A 113 -10.683 5.729 18.604 1.00 4.22 H new ATOM 0 HD11 LEU A 113 -10.657 8.259 18.996 1.00 30.12 H new ATOM 0 HD12 LEU A 113 -11.734 7.728 17.682 1.00 30.12 H new ATOM 0 HD13 LEU A 113 -12.413 8.166 19.268 1.00 30.12 H new ATOM 0 HD21 LEU A 113 -9.860 6.783 20.618 1.00 45.53 H new ATOM 0 HD22 LEU A 113 -11.417 6.381 21.380 1.00 45.53 H new ATOM 0 HD23 LEU A 113 -10.384 5.086 20.730 1.00 45.53 H new ATOM 1789 N ASN A 114 -14.845 5.108 21.205 1.00 63.01 N ATOM 1790 CA ASN A 114 -15.488 5.495 22.453 1.00 21.44 C ATOM 1791 C ASN A 114 -15.662 4.274 23.339 1.00 72.11 C ATOM 1792 O ASN A 114 -15.411 4.324 24.542 1.00 33.40 O ATOM 1793 CB ASN A 114 -16.902 6.117 22.293 1.00 32.33 C ATOM 1794 CG ASN A 114 -16.868 7.487 21.620 1.00 75.11 C ATOM 1795 OD1 ASN A 114 -15.868 8.206 21.606 1.00 14.10 O ATOM 1796 ND2 ASN A 114 -18.038 7.868 21.040 1.00 35.33 N ATOM 0 H ASN A 114 -15.424 5.272 20.382 1.00 63.01 H new ATOM 0 HA ASN A 114 -14.829 6.251 22.879 1.00 21.44 H new ATOM 0 HB2 ASN A 114 -17.527 5.444 21.706 1.00 32.33 H new ATOM 0 HB3 ASN A 114 -17.367 6.210 23.274 1.00 32.33 H new ATOM 0 HD21 ASN A 114 -18.106 8.773 20.575 1.00 35.33 H new ATOM 0 HD22 ASN A 114 -18.848 7.248 21.070 1.00 35.33 H new ATOM 1803 N LEU A 115 -16.067 3.119 22.755 1.00 75.41 N ATOM 1804 CA LEU A 115 -16.157 1.871 23.479 1.00 41.23 C ATOM 1805 C LEU A 115 -14.823 1.405 23.979 1.00 0.24 C ATOM 1806 O LEU A 115 -14.682 1.020 25.132 1.00 12.32 O ATOM 1807 CB LEU A 115 -16.748 0.749 22.603 1.00 12.44 C ATOM 1808 CG LEU A 115 -16.884 -0.617 23.302 1.00 1.31 C ATOM 1809 CD1 LEU A 115 -15.646 -1.522 23.252 1.00 14.01 C ATOM 1810 CD2 LEU A 115 -17.504 -0.504 24.686 1.00 14.13 C ATOM 0 H LEU A 115 -16.334 3.049 21.773 1.00 75.41 H new ATOM 0 HA LEU A 115 -16.812 2.073 24.326 1.00 41.23 H new ATOM 0 HB2 LEU A 115 -17.732 1.061 22.253 1.00 12.44 H new ATOM 0 HB3 LEU A 115 -16.120 0.628 21.720 1.00 12.44 H new ATOM 0 HG LEU A 115 -17.597 -1.160 22.682 1.00 1.31 H new ATOM 0 HD11 LEU A 115 -15.856 -2.455 23.775 1.00 14.01 H new ATOM 0 HD12 LEU A 115 -15.394 -1.737 22.214 1.00 14.01 H new ATOM 0 HD13 LEU A 115 -14.807 -1.018 23.732 1.00 14.01 H new ATOM 0 HD21 LEU A 115 -17.577 -1.495 25.134 1.00 14.13 H new ATOM 0 HD22 LEU A 115 -16.880 0.133 25.313 1.00 14.13 H new ATOM 0 HD23 LEU A 115 -18.500 -0.069 24.604 1.00 14.13 H new ATOM 1822 N ALA A 116 -13.804 1.452 23.111 1.00 3.32 N ATOM 1823 CA ALA A 116 -12.469 0.959 23.370 1.00 64.51 C ATOM 1824 C ALA A 116 -11.834 1.711 24.510 1.00 23.24 C ATOM 1825 O ALA A 116 -11.216 1.123 25.396 1.00 5.13 O ATOM 1826 CB ALA A 116 -11.575 1.079 22.120 1.00 52.14 C ATOM 0 H ALA A 116 -13.903 1.852 22.178 1.00 3.32 H new ATOM 0 HA ALA A 116 -12.559 -0.094 23.637 1.00 64.51 H new ATOM 0 HB1 ALA A 116 -10.579 0.700 22.348 1.00 52.14 H new ATOM 0 HB2 ALA A 116 -12.007 0.497 21.306 1.00 52.14 H new ATOM 0 HB3 ALA A 116 -11.506 2.125 21.821 1.00 52.14 H new ATOM 1832 N MET A 117 -12.012 3.052 24.520 1.00 25.54 N ATOM 1833 CA MET A 117 -11.502 3.885 25.578 1.00 45.23 C ATOM 1834 C MET A 117 -12.310 3.695 26.871 1.00 61.20 C ATOM 1835 O MET A 117 -11.743 3.816 27.952 1.00 73.25 O ATOM 1836 CB MET A 117 -11.395 5.370 25.094 1.00 4.04 C ATOM 1837 CG MET A 117 -12.717 6.141 24.964 1.00 73.12 C ATOM 1838 SD MET A 117 -12.556 7.826 24.291 1.00 42.31 S ATOM 1839 CE MET A 117 -11.736 8.580 25.726 1.00 62.00 C ATOM 0 H MET A 117 -12.512 3.562 23.791 1.00 25.54 H new ATOM 0 HA MET A 117 -10.487 3.577 25.831 1.00 45.23 H new ATOM 0 HB2 MET A 117 -10.751 5.910 25.788 1.00 4.04 H new ATOM 0 HB3 MET A 117 -10.897 5.379 24.124 1.00 4.04 H new ATOM 0 HG2 MET A 117 -13.392 5.572 24.324 1.00 73.12 H new ATOM 0 HG3 MET A 117 -13.185 6.201 25.947 1.00 73.12 H new ATOM 0 HE1 MET A 117 -11.765 9.666 25.633 1.00 62.00 H new ATOM 0 HE2 MET A 117 -12.252 8.281 26.639 1.00 62.00 H new ATOM 0 HE3 MET A 117 -10.699 8.247 25.769 1.00 62.00 H new ATOM 1849 N CYS A 118 -13.630 3.337 26.810 1.00 35.54 N ATOM 1850 CA CYS A 118 -14.398 2.885 27.988 1.00 42.31 C ATOM 1851 C CYS A 118 -13.984 1.507 28.488 1.00 25.40 C ATOM 1852 O CYS A 118 -13.752 1.311 29.680 1.00 50.53 O ATOM 1853 CB CYS A 118 -15.935 2.865 27.737 1.00 43.50 C ATOM 1854 SG CYS A 118 -16.992 2.406 29.178 1.00 31.11 S ATOM 0 H CYS A 118 -14.175 3.357 25.948 1.00 35.54 H new ATOM 0 HA CYS A 118 -14.162 3.626 28.752 1.00 42.31 H new ATOM 0 HB2 CYS A 118 -16.238 3.853 27.391 1.00 43.50 H new ATOM 0 HB3 CYS A 118 -16.140 2.167 26.926 1.00 43.50 H new ATOM 1859 N PHE A 119 -13.828 0.516 27.580 1.00 12.44 N ATOM 1860 CA PHE A 119 -13.309 -0.804 27.896 1.00 43.04 C ATOM 1861 C PHE A 119 -11.966 -0.806 28.581 1.00 21.41 C ATOM 1862 O PHE A 119 -11.776 -1.458 29.609 1.00 43.31 O ATOM 1863 CB PHE A 119 -13.207 -1.587 26.565 1.00 24.14 C ATOM 1864 CG PHE A 119 -12.510 -2.926 26.653 1.00 73.02 C ATOM 1865 CD1 PHE A 119 -11.136 -2.970 26.341 1.00 22.33 C ATOM 1866 CD2 PHE A 119 -13.139 -4.088 27.118 1.00 11.40 C ATOM 1867 CE1 PHE A 119 -10.404 -4.148 26.490 1.00 53.35 C ATOM 1868 CE2 PHE A 119 -12.400 -5.268 27.275 1.00 62.43 C ATOM 1869 CZ PHE A 119 -11.036 -5.300 26.963 1.00 30.05 C ATOM 0 H PHE A 119 -14.068 0.629 26.595 1.00 12.44 H new ATOM 0 HA PHE A 119 -13.995 -1.263 28.609 1.00 43.04 H new ATOM 0 HB2 PHE A 119 -14.214 -1.745 26.178 1.00 24.14 H new ATOM 0 HB3 PHE A 119 -12.679 -0.969 25.839 1.00 24.14 H new ATOM 0 HD1 PHE A 119 -10.643 -2.079 25.981 1.00 22.33 H new ATOM 0 HD2 PHE A 119 -14.193 -4.074 27.355 1.00 11.40 H new ATOM 0 HE1 PHE A 119 -9.353 -4.169 26.241 1.00 53.35 H new ATOM 0 HE2 PHE A 119 -12.887 -6.160 27.640 1.00 62.43 H new ATOM 0 HZ PHE A 119 -10.474 -6.213 27.088 1.00 30.05 H new ATOM 1879 N LYS A 120 -11.012 -0.033 28.033 1.00 62.43 N ATOM 1880 CA LYS A 120 -9.690 0.109 28.568 1.00 54.43 C ATOM 1881 C LYS A 120 -9.719 0.731 29.948 1.00 20.23 C ATOM 1882 O LYS A 120 -8.896 0.433 30.812 1.00 44.15 O ATOM 1883 CB LYS A 120 -8.849 0.967 27.591 1.00 4.04 C ATOM 1884 CG LYS A 120 -7.379 1.184 27.978 1.00 54.52 C ATOM 1885 CD LYS A 120 -6.629 2.091 26.983 1.00 12.05 C ATOM 1886 CE LYS A 120 -7.017 3.570 27.100 1.00 11.32 C ATOM 1887 NZ LYS A 120 -6.439 4.344 25.987 1.00 1.12 N ATOM 0 H LYS A 120 -11.165 0.514 27.186 1.00 62.43 H new ATOM 0 HA LYS A 120 -9.236 -0.877 28.674 1.00 54.43 H new ATOM 0 HB2 LYS A 120 -8.879 0.497 26.608 1.00 4.04 H new ATOM 0 HB3 LYS A 120 -9.326 1.942 27.493 1.00 4.04 H new ATOM 0 HG2 LYS A 120 -7.331 1.626 28.973 1.00 54.52 H new ATOM 0 HG3 LYS A 120 -6.876 0.219 28.033 1.00 54.52 H new ATOM 0 HD2 LYS A 120 -5.556 1.990 27.147 1.00 12.05 H new ATOM 0 HD3 LYS A 120 -6.830 1.749 25.968 1.00 12.05 H new ATOM 0 HE2 LYS A 120 -8.102 3.669 27.095 1.00 11.32 H new ATOM 0 HE3 LYS A 120 -6.665 3.970 28.051 1.00 11.32 H new ATOM 0 HZ1 LYS A 120 -6.443 5.355 26.229 1.00 1.12 H new ATOM 0 HZ2 LYS A 120 -5.461 4.032 25.818 1.00 1.12 H new ATOM 0 HZ3 LYS A 120 -7.005 4.192 25.128 1.00 1.12 H new ATOM 1901 N ALA A 121 -10.710 1.619 30.174 1.00 42.21 N ATOM 1902 CA ALA A 121 -10.889 2.328 31.427 1.00 61.21 C ATOM 1903 C ALA A 121 -11.164 1.380 32.584 1.00 54.02 C ATOM 1904 O ALA A 121 -10.624 1.502 33.681 1.00 33.32 O ATOM 1905 CB ALA A 121 -12.054 3.331 31.302 1.00 25.32 C ATOM 0 H ALA A 121 -11.410 1.856 29.471 1.00 42.21 H new ATOM 0 HA ALA A 121 -9.959 2.856 31.637 1.00 61.21 H new ATOM 0 HB1 ALA A 121 -12.182 3.859 32.247 1.00 25.32 H new ATOM 0 HB2 ALA A 121 -11.833 4.049 30.512 1.00 25.32 H new ATOM 0 HB3 ALA A 121 -12.971 2.795 31.059 1.00 25.32 H new ATOM 1911 N GLU A 122 -12.032 0.384 32.332 1.00 42.02 N ATOM 1912 CA GLU A 122 -12.357 -0.677 33.250 1.00 21.23 C ATOM 1913 C GLU A 122 -11.211 -1.660 33.511 1.00 31.42 C ATOM 1914 O GLU A 122 -10.913 -1.931 34.666 1.00 62.32 O ATOM 1915 CB GLU A 122 -13.630 -1.373 32.718 1.00 60.21 C ATOM 1916 CG GLU A 122 -14.901 -0.475 32.773 1.00 74.22 C ATOM 1917 CD GLU A 122 -15.330 -0.086 34.190 1.00 64.33 C ATOM 1918 OE1 GLU A 122 -15.277 1.130 34.507 1.00 3.53 O ATOM 1919 OE2 GLU A 122 -15.733 -0.999 34.959 1.00 24.43 O ATOM 0 H GLU A 122 -12.534 0.310 31.447 1.00 42.02 H new ATOM 0 HA GLU A 122 -12.539 -0.246 34.235 1.00 21.23 H new ATOM 0 HB2 GLU A 122 -13.460 -1.685 31.687 1.00 60.21 H new ATOM 0 HB3 GLU A 122 -13.809 -2.278 33.299 1.00 60.21 H new ATOM 0 HG2 GLU A 122 -14.717 0.433 32.199 1.00 74.22 H new ATOM 0 HG3 GLU A 122 -15.724 -0.998 32.286 1.00 74.22 H new ATOM 1926 N ILE A 123 -10.457 -2.174 32.504 1.00 15.31 N ATOM 1927 CA ILE A 123 -9.273 -2.988 32.745 1.00 60.15 C ATOM 1928 C ILE A 123 -8.100 -2.268 33.384 1.00 24.22 C ATOM 1929 O ILE A 123 -7.252 -2.906 34.000 1.00 51.12 O ATOM 1930 CB ILE A 123 -8.836 -3.743 31.501 1.00 1.43 C ATOM 1931 CG1 ILE A 123 -8.464 -2.783 30.369 1.00 23.32 C ATOM 1932 CG2 ILE A 123 -9.956 -4.706 31.054 1.00 31.13 C ATOM 1933 CD1 ILE A 123 -7.932 -3.424 29.092 1.00 2.25 C ATOM 0 H ILE A 123 -10.664 -2.028 31.516 1.00 15.31 H new ATOM 0 HA ILE A 123 -9.604 -3.704 33.497 1.00 60.15 H new ATOM 0 HB ILE A 123 -7.945 -4.322 31.745 1.00 1.43 H new ATOM 0 HG12 ILE A 123 -9.345 -2.194 30.115 1.00 23.32 H new ATOM 0 HG13 ILE A 123 -7.712 -2.087 30.742 1.00 23.32 H new ATOM 0 HG21 ILE A 123 -9.638 -5.245 30.162 1.00 31.13 H new ATOM 0 HG22 ILE A 123 -10.164 -5.418 31.853 1.00 31.13 H new ATOM 0 HG23 ILE A 123 -10.858 -4.136 30.831 1.00 31.13 H new ATOM 0 HD11 ILE A 123 -7.703 -2.647 28.363 1.00 2.25 H new ATOM 0 HD12 ILE A 123 -7.027 -3.988 29.318 1.00 2.25 H new ATOM 0 HD13 ILE A 123 -8.685 -4.096 28.681 1.00 2.25 H new ATOM 1945 N HIS A 124 -8.047 -0.918 33.309 1.00 32.32 N ATOM 1946 CA HIS A 124 -7.133 -0.090 34.080 1.00 13.22 C ATOM 1947 C HIS A 124 -7.380 -0.225 35.581 1.00 0.31 C ATOM 1948 O HIS A 124 -6.442 -0.254 36.373 1.00 1.13 O ATOM 1949 CB HIS A 124 -7.241 1.403 33.664 1.00 1.51 C ATOM 1950 CG HIS A 124 -6.269 2.328 34.344 1.00 11.02 C ATOM 1951 ND1 HIS A 124 -4.921 2.266 34.124 1.00 72.45 N ATOM 1952 CD2 HIS A 124 -6.478 3.335 35.220 1.00 3.32 C ATOM 1953 CE1 HIS A 124 -4.330 3.203 34.842 1.00 13.31 C ATOM 1954 NE2 HIS A 124 -5.252 3.866 35.515 1.00 42.13 N ATOM 0 H HIS A 124 -8.656 -0.378 32.695 1.00 32.32 H new ATOM 0 HA HIS A 124 -6.126 -0.445 33.863 1.00 13.22 H new ATOM 0 HB2 HIS A 124 -7.094 1.475 32.586 1.00 1.51 H new ATOM 0 HB3 HIS A 124 -8.254 1.749 33.871 1.00 1.51 H new ATOM 0 HD2 HIS A 124 -7.431 3.659 35.612 1.00 3.32 H new ATOM 0 HE1 HIS A 124 -3.268 3.395 34.874 1.00 13.31 H new ATOM 0 HE2 HIS A 124 -5.079 4.645 36.150 1.00 42.13 H new ATOM 1963 N LYS A 125 -8.669 -0.287 36.004 1.00 23.10 N ATOM 1964 CA LYS A 125 -9.060 -0.331 37.409 1.00 1.30 C ATOM 1965 C LYS A 125 -8.752 -1.668 38.085 1.00 62.41 C ATOM 1966 O LYS A 125 -8.564 -1.746 39.298 1.00 62.24 O ATOM 1967 CB LYS A 125 -10.573 0.028 37.573 1.00 52.40 C ATOM 1968 CG LYS A 125 -11.582 -1.131 37.718 1.00 42.43 C ATOM 1969 CD LYS A 125 -13.049 -0.673 37.739 1.00 24.44 C ATOM 1970 CE LYS A 125 -14.010 -1.841 37.963 1.00 32.43 C ATOM 1971 NZ LYS A 125 -15.406 -1.382 37.828 1.00 15.13 N ATOM 0 H LYS A 125 -9.462 -0.307 35.362 1.00 23.10 H new ATOM 0 HA LYS A 125 -8.452 0.418 37.916 1.00 1.30 H new ATOM 0 HB2 LYS A 125 -10.671 0.668 38.450 1.00 52.40 H new ATOM 0 HB3 LYS A 125 -10.870 0.623 36.710 1.00 52.40 H new ATOM 0 HG2 LYS A 125 -11.440 -1.830 36.894 1.00 42.43 H new ATOM 0 HG3 LYS A 125 -11.367 -1.675 38.638 1.00 42.43 H new ATOM 0 HD2 LYS A 125 -13.187 0.066 38.528 1.00 24.44 H new ATOM 0 HD3 LYS A 125 -13.289 -0.182 36.796 1.00 24.44 H new ATOM 0 HE2 LYS A 125 -13.808 -2.632 37.241 1.00 32.43 H new ATOM 0 HE3 LYS A 125 -13.853 -2.266 38.954 1.00 32.43 H new ATOM 0 HZ1 LYS A 125 -16.047 -2.099 38.224 1.00 15.13 H new ATOM 0 HZ2 LYS A 125 -15.528 -0.486 38.342 1.00 15.13 H new ATOM 0 HZ3 LYS A 125 -15.628 -1.237 36.822 1.00 15.13 H new ATOM 1985 N LEU A 126 -8.739 -2.758 37.287 1.00 71.35 N ATOM 1986 CA LEU A 126 -8.626 -4.146 37.699 1.00 41.55 C ATOM 1987 C LEU A 126 -7.294 -4.552 38.287 1.00 21.43 C ATOM 1988 O LEU A 126 -6.225 -4.019 38.004 1.00 64.33 O ATOM 1989 CB LEU A 126 -8.974 -5.096 36.517 1.00 3.03 C ATOM 1990 CG LEU A 126 -10.450 -4.998 36.065 1.00 1.24 C ATOM 1991 CD1 LEU A 126 -10.676 -5.603 34.674 1.00 35.05 C ATOM 1992 CD2 LEU A 126 -11.413 -5.643 37.071 1.00 41.35 C ATOM 0 H LEU A 126 -8.813 -2.669 36.274 1.00 71.35 H new ATOM 0 HA LEU A 126 -9.346 -4.241 38.512 1.00 41.55 H new ATOM 0 HB2 LEU A 126 -8.327 -4.864 35.671 1.00 3.03 H new ATOM 0 HB3 LEU A 126 -8.759 -6.123 36.811 1.00 3.03 H new ATOM 0 HG LEU A 126 -10.668 -3.931 36.016 1.00 1.24 H new ATOM 0 HD11 LEU A 126 -11.728 -5.509 34.403 1.00 35.05 H new ATOM 0 HD12 LEU A 126 -10.064 -5.074 33.943 1.00 35.05 H new ATOM 0 HD13 LEU A 126 -10.397 -6.657 34.686 1.00 35.05 H new ATOM 0 HD21 LEU A 126 -12.436 -5.548 36.708 1.00 41.35 H new ATOM 0 HD22 LEU A 126 -11.166 -6.698 37.186 1.00 41.35 H new ATOM 0 HD23 LEU A 126 -11.322 -5.142 38.035 1.00 41.35 H new ATOM 2004 N ASP A 127 -7.380 -5.566 39.172 1.00 64.41 N ATOM 2005 CA ASP A 127 -6.284 -6.102 39.945 1.00 51.35 C ATOM 2006 C ASP A 127 -5.458 -7.122 39.163 1.00 22.32 C ATOM 2007 O ASP A 127 -4.487 -7.667 39.681 1.00 2.45 O ATOM 2008 CB ASP A 127 -6.846 -6.755 41.228 1.00 20.32 C ATOM 2009 CG ASP A 127 -7.516 -5.719 42.121 1.00 41.25 C ATOM 2010 OD1 ASP A 127 -6.808 -4.793 42.592 1.00 51.50 O ATOM 2011 OD2 ASP A 127 -8.750 -5.854 42.334 1.00 75.32 O ATOM 0 H ASP A 127 -8.262 -6.042 39.362 1.00 64.41 H new ATOM 0 HA ASP A 127 -5.616 -5.277 40.194 1.00 51.35 H new ATOM 0 HB2 ASP A 127 -7.565 -7.529 40.961 1.00 20.32 H new ATOM 0 HB3 ASP A 127 -6.039 -7.244 41.774 1.00 20.32 H new ATOM 2016 N TRP A 128 -5.835 -7.401 37.899 1.00 1.13 N ATOM 2017 CA TRP A 128 -5.126 -8.301 37.012 1.00 32.43 C ATOM 2018 C TRP A 128 -5.009 -7.582 35.685 1.00 25.24 C ATOM 2019 O TRP A 128 -5.812 -6.698 35.387 1.00 23.55 O ATOM 2020 CB TRP A 128 -5.858 -9.667 36.820 1.00 73.23 C ATOM 2021 CG TRP A 128 -7.219 -9.545 36.155 1.00 51.14 C ATOM 2022 CD1 TRP A 128 -8.342 -8.989 36.687 1.00 63.32 C ATOM 2023 CD2 TRP A 128 -7.518 -9.840 34.778 1.00 64.32 C ATOM 2024 NE1 TRP A 128 -9.308 -8.848 35.718 1.00 30.02 N ATOM 2025 CE2 TRP A 128 -8.825 -9.367 34.537 1.00 74.42 C ATOM 2026 CE3 TRP A 128 -6.766 -10.430 33.765 1.00 13.40 C ATOM 2027 CZ2 TRP A 128 -9.399 -9.465 33.276 1.00 41.21 C ATOM 2028 CZ3 TRP A 128 -7.358 -10.558 32.500 1.00 53.02 C ATOM 2029 CH2 TRP A 128 -8.650 -10.070 32.253 1.00 44.25 C ATOM 0 H TRP A 128 -6.664 -6.988 37.471 1.00 1.13 H new ATOM 0 HA TRP A 128 -4.154 -8.545 37.440 1.00 32.43 H new ATOM 0 HB2 TRP A 128 -5.229 -10.325 36.221 1.00 73.23 H new ATOM 0 HB3 TRP A 128 -5.981 -10.143 37.793 1.00 73.23 H new ATOM 0 HD1 TRP A 128 -8.458 -8.700 37.721 1.00 63.32 H new ATOM 0 HE1 TRP A 128 -10.228 -8.429 35.852 1.00 30.02 H new ATOM 0 HE3 TRP A 128 -5.760 -10.778 33.948 1.00 13.40 H new ATOM 0 HZ2 TRP A 128 -10.393 -9.087 33.087 1.00 41.21 H new ATOM 0 HZ3 TRP A 128 -6.811 -11.040 31.703 1.00 53.02 H new ATOM 0 HH2 TRP A 128 -9.074 -10.161 31.264 1.00 44.25 H new ATOM 2040 N ALA A 129 -4.006 -7.937 34.858 1.00 2.54 N ATOM 2041 CA ALA A 129 -3.817 -7.312 33.572 1.00 62.54 C ATOM 2042 C ALA A 129 -4.048 -8.309 32.442 1.00 71.34 C ATOM 2043 O ALA A 129 -3.320 -9.302 32.377 1.00 1.52 O ATOM 2044 CB ALA A 129 -2.395 -6.738 33.460 1.00 32.11 C ATOM 0 H ALA A 129 -3.320 -8.660 35.077 1.00 2.54 H new ATOM 0 HA ALA A 129 -4.544 -6.504 33.484 1.00 62.54 H new ATOM 0 HB1 ALA A 129 -2.268 -6.270 32.484 1.00 32.11 H new ATOM 0 HB2 ALA A 129 -2.240 -5.995 34.242 1.00 32.11 H new ATOM 0 HB3 ALA A 129 -1.668 -7.542 33.574 1.00 32.11 H new ATOM 2050 N PRO A 130 -4.996 -8.133 31.516 1.00 15.43 N ATOM 2051 CA PRO A 130 -4.930 -8.765 30.200 1.00 12.55 C ATOM 2052 C PRO A 130 -3.809 -8.126 29.394 1.00 52.30 C ATOM 2053 O PRO A 130 -3.483 -6.956 29.591 1.00 62.35 O ATOM 2054 CB PRO A 130 -6.310 -8.467 29.597 1.00 13.32 C ATOM 2055 CG PRO A 130 -6.730 -7.140 30.235 1.00 13.21 C ATOM 2056 CD PRO A 130 -6.141 -7.222 31.641 1.00 1.30 C ATOM 0 HA PRO A 130 -4.718 -9.834 30.223 1.00 12.55 H new ATOM 0 HB2 PRO A 130 -6.259 -8.387 28.511 1.00 13.32 H new ATOM 0 HB3 PRO A 130 -7.022 -9.260 29.825 1.00 13.32 H new ATOM 0 HG2 PRO A 130 -6.336 -6.286 29.683 1.00 13.21 H new ATOM 0 HG3 PRO A 130 -7.814 -7.031 30.259 1.00 13.21 H new ATOM 0 HD2 PRO A 130 -5.828 -6.240 31.997 1.00 1.30 H new ATOM 0 HD3 PRO A 130 -6.872 -7.602 32.355 1.00 1.30 H new ATOM 2064 N THR A 131 -3.192 -8.888 28.472 1.00 23.41 N ATOM 2065 CA THR A 131 -2.162 -8.392 27.576 1.00 41.24 C ATOM 2066 C THR A 131 -2.870 -7.825 26.364 1.00 72.04 C ATOM 2067 O THR A 131 -4.065 -8.053 26.172 1.00 62.15 O ATOM 2068 CB THR A 131 -1.139 -9.452 27.145 1.00 62.44 C ATOM 2069 OG1 THR A 131 -1.628 -10.427 26.230 1.00 1.45 O ATOM 2070 CG2 THR A 131 -0.739 -10.251 28.394 1.00 21.11 C ATOM 0 H THR A 131 -3.406 -9.876 28.337 1.00 23.41 H new ATOM 0 HA THR A 131 -1.578 -7.640 28.107 1.00 41.24 H new ATOM 0 HB THR A 131 -0.334 -8.899 26.660 1.00 62.44 H new ATOM 0 HG1 THR A 131 -0.911 -11.058 26.010 1.00 1.45 H new ATOM 0 HG21 THR A 131 -0.011 -11.014 28.120 1.00 21.11 H new ATOM 0 HG22 THR A 131 -0.300 -9.579 29.131 1.00 21.11 H new ATOM 0 HG23 THR A 131 -1.622 -10.728 28.819 1.00 21.11 H new ATOM 2078 N LEU A 132 -2.165 -7.095 25.474 1.00 22.12 N ATOM 2079 CA LEU A 132 -2.774 -6.558 24.268 1.00 35.25 C ATOM 2080 C LEU A 132 -3.280 -7.637 23.324 1.00 62.04 C ATOM 2081 O LEU A 132 -4.248 -7.414 22.609 1.00 45.33 O ATOM 2082 CB LEU A 132 -1.849 -5.583 23.485 1.00 52.31 C ATOM 2083 CG LEU A 132 -1.604 -4.200 24.151 1.00 12.01 C ATOM 2084 CD1 LEU A 132 -2.918 -3.454 24.456 1.00 44.32 C ATOM 2085 CD2 LEU A 132 -0.698 -4.243 25.395 1.00 44.31 C ATOM 0 H LEU A 132 -1.175 -6.872 25.580 1.00 22.12 H new ATOM 0 HA LEU A 132 -3.628 -5.991 24.638 1.00 35.25 H new ATOM 0 HB2 LEU A 132 -0.885 -6.069 23.335 1.00 52.31 H new ATOM 0 HB3 LEU A 132 -2.280 -5.418 22.497 1.00 52.31 H new ATOM 0 HG LEU A 132 -1.054 -3.635 23.398 1.00 12.01 H new ATOM 0 HD11 LEU A 132 -2.692 -2.494 24.920 1.00 44.32 H new ATOM 0 HD12 LEU A 132 -3.466 -3.288 23.528 1.00 44.32 H new ATOM 0 HD13 LEU A 132 -3.526 -4.051 25.135 1.00 44.32 H new ATOM 0 HD21 LEU A 132 -0.581 -3.236 25.795 1.00 44.31 H new ATOM 0 HD22 LEU A 132 -1.150 -4.884 26.152 1.00 44.31 H new ATOM 0 HD23 LEU A 132 0.279 -4.640 25.120 1.00 44.31 H new ATOM 2097 N ASP A 133 -2.695 -8.858 23.337 1.00 70.24 N ATOM 2098 CA ASP A 133 -3.180 -9.981 22.547 1.00 65.31 C ATOM 2099 C ASP A 133 -4.614 -10.368 22.924 1.00 64.33 C ATOM 2100 O ASP A 133 -5.424 -10.678 22.060 1.00 24.42 O ATOM 2101 CB ASP A 133 -2.282 -11.235 22.729 1.00 73.44 C ATOM 2102 CG ASP A 133 -0.887 -11.002 22.165 1.00 23.32 C ATOM 2103 OD1 ASP A 133 -0.095 -10.302 22.850 1.00 34.22 O ATOM 2104 OD2 ASP A 133 -0.593 -11.537 21.066 1.00 43.35 O ATOM 0 H ASP A 133 -1.874 -9.078 23.901 1.00 70.24 H new ATOM 0 HA ASP A 133 -3.152 -9.650 21.509 1.00 65.31 H new ATOM 0 HB2 ASP A 133 -2.212 -11.484 23.788 1.00 73.44 H new ATOM 0 HB3 ASP A 133 -2.740 -12.089 22.230 1.00 73.44 H new ATOM 2109 N VAL A 134 -4.942 -10.346 24.231 1.00 1.44 N ATOM 2110 CA VAL A 134 -6.198 -10.800 24.817 1.00 2.21 C ATOM 2111 C VAL A 134 -7.172 -9.679 25.086 1.00 72.31 C ATOM 2112 O VAL A 134 -8.349 -9.813 24.748 1.00 31.40 O ATOM 2113 CB VAL A 134 -6.001 -11.702 26.027 1.00 24.44 C ATOM 2114 CG1 VAL A 134 -4.876 -11.223 26.922 1.00 15.23 C ATOM 2115 CG2 VAL A 134 -7.291 -12.004 26.821 1.00 40.33 C ATOM 0 H VAL A 134 -4.296 -9.990 24.936 1.00 1.44 H new ATOM 0 HA VAL A 134 -6.662 -11.420 24.050 1.00 2.21 H new ATOM 0 HB VAL A 134 -5.702 -12.663 25.610 1.00 24.44 H new ATOM 0 HG11 VAL A 134 -4.774 -11.899 27.771 1.00 15.23 H new ATOM 0 HG12 VAL A 134 -3.944 -11.207 26.357 1.00 15.23 H new ATOM 0 HG13 VAL A 134 -5.100 -10.219 27.282 1.00 15.23 H new ATOM 0 HG21 VAL A 134 -7.056 -12.653 27.665 1.00 40.33 H new ATOM 0 HG22 VAL A 134 -7.719 -11.071 27.189 1.00 40.33 H new ATOM 0 HG23 VAL A 134 -8.011 -12.501 26.171 1.00 40.33 H new ATOM 2125 N ALA A 135 -6.730 -8.523 25.649 1.00 15.12 N ATOM 2126 CA ALA A 135 -7.625 -7.416 25.946 1.00 20.54 C ATOM 2127 C ALA A 135 -8.255 -6.831 24.707 1.00 3.32 C ATOM 2128 O ALA A 135 -9.468 -6.660 24.630 1.00 53.55 O ATOM 2129 CB ALA A 135 -6.908 -6.277 26.705 1.00 72.23 C ATOM 0 H ALA A 135 -5.756 -8.352 25.899 1.00 15.12 H new ATOM 0 HA ALA A 135 -8.405 -7.845 26.576 1.00 20.54 H new ATOM 0 HB1 ALA A 135 -7.615 -5.472 26.905 1.00 72.23 H new ATOM 0 HB2 ALA A 135 -6.516 -6.659 27.648 1.00 72.23 H new ATOM 0 HB3 ALA A 135 -6.087 -5.896 26.098 1.00 72.23 H new ATOM 2135 N VAL A 136 -7.436 -6.567 23.664 1.00 64.04 N ATOM 2136 CA VAL A 136 -7.972 -6.116 22.400 1.00 24.40 C ATOM 2137 C VAL A 136 -8.553 -7.286 21.669 1.00 24.13 C ATOM 2138 O VAL A 136 -9.531 -7.150 20.944 1.00 53.22 O ATOM 2139 CB VAL A 136 -6.987 -5.383 21.491 1.00 14.13 C ATOM 2140 CG1 VAL A 136 -6.015 -4.551 22.352 1.00 62.34 C ATOM 2141 CG2 VAL A 136 -6.299 -6.201 20.373 1.00 4.44 C ATOM 0 H VAL A 136 -6.421 -6.662 23.690 1.00 64.04 H new ATOM 0 HA VAL A 136 -8.730 -5.374 22.652 1.00 24.40 H new ATOM 0 HB VAL A 136 -7.597 -4.718 20.880 1.00 14.13 H new ATOM 0 HG11 VAL A 136 -5.312 -4.028 21.704 1.00 62.34 H new ATOM 0 HG12 VAL A 136 -6.578 -3.825 22.938 1.00 62.34 H new ATOM 0 HG13 VAL A 136 -5.467 -5.212 23.024 1.00 62.34 H new ATOM 0 HG21 VAL A 136 -5.629 -5.553 19.808 1.00 4.44 H new ATOM 0 HG22 VAL A 136 -5.727 -7.016 20.817 1.00 4.44 H new ATOM 0 HG23 VAL A 136 -7.056 -6.611 19.704 1.00 4.44 H new ATOM 2151 N GLY A 137 -7.949 -8.485 21.828 1.00 20.44 N ATOM 2152 CA GLY A 137 -8.332 -9.639 21.037 1.00 71.30 C ATOM 2153 C GLY A 137 -9.755 -10.066 21.237 1.00 53.31 C ATOM 2154 O GLY A 137 -10.436 -10.376 20.266 1.00 1.32 O ATOM 0 H GLY A 137 -7.200 -8.662 22.497 1.00 20.44 H new ATOM 0 HA2 GLY A 137 -8.175 -9.413 19.982 1.00 71.30 H new ATOM 0 HA3 GLY A 137 -7.674 -10.472 21.285 1.00 71.30 H new ATOM 2158 N GLU A 138 -10.267 -10.059 22.491 1.00 53.11 N ATOM 2159 CA GLU A 138 -11.674 -10.334 22.738 1.00 45.03 C ATOM 2160 C GLU A 138 -12.624 -9.303 22.132 1.00 53.14 C ATOM 2161 O GLU A 138 -13.683 -9.660 21.616 1.00 23.23 O ATOM 2162 CB GLU A 138 -12.014 -10.491 24.239 1.00 31.31 C ATOM 2163 CG GLU A 138 -11.207 -11.652 24.854 1.00 1.44 C ATOM 2164 CD GLU A 138 -11.890 -12.265 26.068 1.00 71.34 C ATOM 2165 OE1 GLU A 138 -11.350 -12.110 27.189 1.00 11.35 O ATOM 2166 OE2 GLU A 138 -12.907 -12.971 25.850 1.00 33.01 O ATOM 0 H GLU A 138 -9.720 -9.866 23.330 1.00 53.11 H new ATOM 0 HA GLU A 138 -11.831 -11.287 22.233 1.00 45.03 H new ATOM 0 HB2 GLU A 138 -11.791 -9.564 24.768 1.00 31.31 H new ATOM 0 HB3 GLU A 138 -13.081 -10.678 24.359 1.00 31.31 H new ATOM 0 HG2 GLU A 138 -11.056 -12.424 24.099 1.00 1.44 H new ATOM 0 HG3 GLU A 138 -10.220 -11.290 25.142 1.00 1.44 H new ATOM 2173 N LEU A 139 -12.250 -7.999 22.160 1.00 43.22 N ATOM 2174 CA LEU A 139 -12.980 -6.914 21.528 1.00 34.51 C ATOM 2175 C LEU A 139 -13.036 -7.049 20.057 1.00 42.05 C ATOM 2176 O LEU A 139 -14.099 -6.997 19.439 1.00 35.53 O ATOM 2177 CB LEU A 139 -12.285 -5.542 21.685 1.00 61.13 C ATOM 2178 CG LEU A 139 -12.411 -4.875 23.032 1.00 1.42 C ATOM 2179 CD1 LEU A 139 -11.495 -3.641 23.075 1.00 74.53 C ATOM 2180 CD2 LEU A 139 -13.872 -4.443 23.171 1.00 0.11 C ATOM 0 H LEU A 139 -11.407 -7.684 22.640 1.00 43.22 H new ATOM 0 HA LEU A 139 -13.953 -6.966 22.016 1.00 34.51 H new ATOM 0 HB2 LEU A 139 -11.225 -5.669 21.465 1.00 61.13 H new ATOM 0 HB3 LEU A 139 -12.688 -4.867 20.931 1.00 61.13 H new ATOM 0 HG LEU A 139 -12.123 -5.547 23.841 1.00 1.42 H new ATOM 0 HD11 LEU A 139 -11.583 -3.156 24.047 1.00 74.53 H new ATOM 0 HD12 LEU A 139 -10.462 -3.949 22.916 1.00 74.53 H new ATOM 0 HD13 LEU A 139 -11.790 -2.942 22.293 1.00 74.53 H new ATOM 0 HD21 LEU A 139 -14.016 -3.953 24.134 1.00 0.11 H new ATOM 0 HD22 LEU A 139 -14.124 -3.749 22.369 1.00 0.11 H new ATOM 0 HD23 LEU A 139 -14.518 -5.319 23.109 1.00 0.11 H new ATOM 2192 N LEU A 140 -11.838 -7.233 19.480 1.00 53.25 N ATOM 2193 CA LEU A 140 -11.716 -7.309 18.057 1.00 24.42 C ATOM 2194 C LEU A 140 -12.359 -8.575 17.514 1.00 33.40 C ATOM 2195 O LEU A 140 -13.079 -8.543 16.521 1.00 73.41 O ATOM 2196 CB LEU A 140 -10.247 -7.189 17.584 1.00 4.01 C ATOM 2197 CG LEU A 140 -9.553 -5.829 17.858 1.00 32.31 C ATOM 2198 CD1 LEU A 140 -8.220 -5.757 17.089 1.00 14.15 C ATOM 2199 CD2 LEU A 140 -10.411 -4.567 17.672 1.00 44.15 C ATOM 0 H LEU A 140 -10.960 -7.329 19.991 1.00 53.25 H new ATOM 0 HA LEU A 140 -12.254 -6.452 17.652 1.00 24.42 H new ATOM 0 HB2 LEU A 140 -9.666 -7.975 18.066 1.00 4.01 H new ATOM 0 HB3 LEU A 140 -10.215 -7.381 16.512 1.00 4.01 H new ATOM 0 HG LEU A 140 -9.364 -5.817 18.931 1.00 32.31 H new ATOM 0 HD11 LEU A 140 -7.738 -4.799 17.286 1.00 14.15 H new ATOM 0 HD12 LEU A 140 -7.567 -6.566 17.416 1.00 14.15 H new ATOM 0 HD13 LEU A 140 -8.411 -5.854 16.020 1.00 14.15 H new ATOM 0 HD21 LEU A 140 -9.812 -3.684 17.893 1.00 44.15 H new ATOM 0 HD22 LEU A 140 -10.765 -4.516 16.642 1.00 44.15 H new ATOM 0 HD23 LEU A 140 -11.265 -4.605 18.348 1.00 44.15 H new ATOM 2211 N ALA A 141 -12.187 -9.729 18.197 1.00 3.50 N ATOM 2212 CA ALA A 141 -12.854 -10.956 17.831 1.00 53.34 C ATOM 2213 C ALA A 141 -14.367 -10.880 17.886 1.00 5.05 C ATOM 2214 O ALA A 141 -15.037 -11.486 17.062 1.00 24.13 O ATOM 2215 CB ALA A 141 -12.421 -12.124 18.728 1.00 40.41 C ATOM 0 H ALA A 141 -11.580 -9.815 19.012 1.00 3.50 H new ATOM 0 HA ALA A 141 -12.553 -11.121 16.796 1.00 53.34 H new ATOM 0 HB1 ALA A 141 -12.944 -13.030 18.423 1.00 40.41 H new ATOM 0 HB2 ALA A 141 -11.346 -12.276 18.634 1.00 40.41 H new ATOM 0 HB3 ALA A 141 -12.666 -11.896 19.765 1.00 40.41 H new ATOM 2221 N ASP A 142 -14.954 -10.162 18.863 1.00 60.13 N ATOM 2222 CA ASP A 142 -16.391 -10.049 18.986 1.00 31.11 C ATOM 2223 C ASP A 142 -16.947 -8.845 18.210 1.00 21.21 C ATOM 2224 O ASP A 142 -18.064 -8.409 18.475 1.00 42.44 O ATOM 2225 CB ASP A 142 -16.738 -9.989 20.502 1.00 42.40 C ATOM 2226 CG ASP A 142 -18.217 -10.219 20.806 1.00 50.34 C ATOM 2227 OD1 ASP A 142 -18.821 -9.348 21.483 1.00 51.00 O ATOM 2228 OD2 ASP A 142 -18.735 -11.292 20.399 1.00 71.34 O ATOM 0 H ASP A 142 -14.435 -9.652 19.578 1.00 60.13 H new ATOM 0 HA ASP A 142 -16.869 -10.920 18.537 1.00 31.11 H new ATOM 0 HB2 ASP A 142 -16.148 -10.738 21.030 1.00 42.40 H new ATOM 0 HB3 ASP A 142 -16.443 -9.016 20.894 1.00 42.40 H new ATOM 2233 N THR A 143 -16.215 -8.261 17.225 1.00 75.52 N ATOM 2234 CA THR A 143 -16.741 -7.117 16.462 1.00 32.02 C ATOM 2235 C THR A 143 -18.012 -7.442 15.624 1.00 43.14 C ATOM 2236 O THR A 143 -18.037 -8.516 14.954 1.00 0.00 O ATOM 2237 CB THR A 143 -15.705 -6.447 15.541 1.00 22.42 C ATOM 2238 OG1 THR A 143 -16.222 -5.227 15.031 1.00 34.33 O ATOM 2239 CG2 THR A 143 -15.269 -7.308 14.337 1.00 24.14 C ATOM 2240 OXT THR A 143 -18.977 -6.633 15.668 1.00 0.00 O ATOM 0 H THR A 143 -15.280 -8.561 16.951 1.00 75.52 H new ATOM 0 HA THR A 143 -17.013 -6.415 17.250 1.00 32.02 H new ATOM 0 HB THR A 143 -14.828 -6.291 16.170 1.00 22.42 H new ATOM 0 HG1 THR A 143 -15.555 -4.808 14.448 1.00 34.33 H new ATOM 0 HG21 THR A 143 -14.539 -6.759 13.743 1.00 24.14 H new ATOM 0 HG22 THR A 143 -14.822 -8.235 14.696 1.00 24.14 H new ATOM 0 HG23 THR A 143 -16.138 -7.539 13.721 1.00 24.14 H new TER 2248 THR A 143