USER MOD reduce.3.24.130724 H: found=0, std=0, add=1049, rem=0, adj=46 USER MOD reduce.3.24.130724 removed 1049 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 104 MET CE :methyl 177:sc= -0.677 (180deg=-0.803) USER MOD Set 1.2: A 131 GLN : amide:sc= 0 K(o=-0.68,f=-1.4) USER MOD Set 2.1: A 67 GLN : amide:sc= -0.0604 X(o=-0.31,f=-0.47) USER MOD Set 2.2: A 97 MET CE :methyl -144:sc= -0.248 (180deg=-1.92!) USER MOD Set 3.1: A 39 TYR OH : rot 120:sc= 0.439 USER MOD Set 3.2: A 55 ASN : amide:sc= 0.279 K(o=0.72,f=-1.7!) USER MOD Set 4.1: A 26 CYS SG : rot 171:sc= 0.37 USER MOD Set 4.2: A 38 HIS :FLIP no HD1:sc= -4.56! C(o=-5.8!,f=-4.2!) USER MOD Set 5.1: A 12 ASN : amide:sc= -1.56! C(o=-1.6!,f=-4.1!) USER MOD Set 5.2: A 18 MET CE :methyl -162:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 161:sc= 1.07 (180deg=0.592!) USER MOD Single : A 3 HIS : no HE2:sc= -0.267 K(o=-0.27,f=-1.3) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= -0.0271 X(o=-0.027,f=-0.26) USER MOD Single : A 7 HIS : no HD1:sc= -0.0737 X(o=-0.074,f=-0.081) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0.129 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 166:sc= -0.0846 (180deg=-0.246) USER MOD Single : A 21 ASN : amide:sc= -0.205 X(o=-0.21,f=-0.42) USER MOD Single : A 22 LYS NZ :NH3+ 157:sc= 0.15 (180deg=-0.129) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 GLN : amide:sc= 0.19 X(o=0.19,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 150:sc= -0.111 (180deg=-1.32!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN :FLIP amide:sc= -0.207 F(o=-1.7,f=-0.21) USER MOD Single : A 36 MET CE :methyl 147:sc= -0.392 (180deg=-1.33!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.936 USER MOD Single : A 44 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0334) USER MOD Single : A 46 ASN : amide:sc= -0.25 X(o=-0.25,f=-0.73) USER MOD Single : A 48 LYS NZ :NH3+ 169:sc= 0.993 (180deg=0.891) USER MOD Single : A 51 LYS NZ :NH3+ 157:sc= 0.907 (180deg=0.558) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -140:sc= 0 USER MOD Single : A 59 CYS SG : rot -126:sc= -2.41! USER MOD Single : A 60 TYR OH : rot 180:sc= 0.471 USER MOD Single : A 61 THR OG1 : rot -5:sc= 0.591 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 CYS SG : rot -13:sc= -2.6! USER MOD Single : A 76 CYS SG : rot -126:sc= -1.67! USER MOD Single : A 78 GLN : amide:sc= -0.0109 X(o=-0.011,f=-0.32) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 171:sc= 0.599 (180deg=0.538) USER MOD Single : A 87 TYR OH : rot -158:sc= 0.428 USER MOD Single : A 88 THR OG1 : rot 159:sc= 0.288 USER MOD Single : A 90 LYS NZ :NH3+ -143:sc= 0.227 (180deg=-1.32) USER MOD Single : A 98 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0507) USER MOD Single : A 100 TYR OH : rot 35:sc= -0.388 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 GLN :FLIP amide:sc= -0.164 F(o=-1.2,f=-0.16) USER MOD Single : A 109 LYS NZ :NH3+ 148:sc= 1.01 (180deg=0.426) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot -37:sc= 0.525 USER MOD Single : A 117 CYS SG : rot -45:sc= -5.47! USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 TYR OH : rot -102:sc= 0.00903 USER MOD Single : A 125 GLN : amide:sc= -1.13 K(o=-1.1,f=-2!) USER MOD Single : A 127 CYS SG : rot 53:sc= 1.18 USER MOD Single : A 128 MET CE :methyl -158:sc= -0.108 (180deg=-0.58) USER MOD Single : A 129 MET CE :methyl 150:sc= 0 (180deg=-0.638) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 133 ASN :FLIP amide:sc= -1.6 F(o=-2.3,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.538 40.457 5.011 1.00 22.23 N ATOM 2 CA MET A 1 -3.520 40.500 3.935 1.00 55.11 C ATOM 3 C MET A 1 -3.345 39.101 3.320 1.00 13.02 C ATOM 4 O MET A 1 -3.205 38.116 4.054 1.00 21.22 O ATOM 5 CB MET A 1 -2.162 41.019 4.484 1.00 14.44 C ATOM 6 CG MET A 1 -2.198 42.460 5.007 1.00 71.02 C ATOM 7 SD MET A 1 -3.303 42.680 6.422 1.00 12.13 S ATOM 8 CE MET A 1 -3.185 44.448 6.706 1.00 51.31 C ATOM 0 H1 MET A 1 -4.429 41.289 5.626 1.00 22.23 H new ATOM 0 H2 MET A 1 -5.489 40.461 4.590 1.00 22.23 H new ATOM 0 H3 MET A 1 -4.412 39.592 5.574 1.00 22.23 H new ATOM 0 HA MET A 1 -3.862 41.188 3.162 1.00 55.11 H new ATOM 0 HB2 MET A 1 -1.835 40.361 5.289 1.00 14.44 H new ATOM 0 HB3 MET A 1 -1.415 40.951 3.693 1.00 14.44 H new ATOM 0 HG2 MET A 1 -1.190 42.761 5.292 1.00 71.02 H new ATOM 0 HG3 MET A 1 -2.513 43.124 4.202 1.00 71.02 H new ATOM 0 HE1 MET A 1 -3.816 44.724 7.551 1.00 51.31 H new ATOM 0 HE2 MET A 1 -2.151 44.713 6.924 1.00 51.31 H new ATOM 0 HE3 MET A 1 -3.517 44.982 5.816 1.00 51.31 H new ATOM 20 N GLY A 2 -3.339 39.028 1.973 1.00 11.20 N ATOM 21 CA GLY A 2 -3.168 37.762 1.249 1.00 73.35 C ATOM 22 C GLY A 2 -4.446 36.938 1.191 1.00 12.11 C ATOM 23 O GLY A 2 -5.268 37.141 0.288 1.00 43.45 O ATOM 0 H GLY A 2 -3.452 39.840 1.366 1.00 11.20 H new ATOM 0 HA2 GLY A 2 -2.830 37.972 0.234 1.00 73.35 H new ATOM 0 HA3 GLY A 2 -2.385 37.176 1.731 1.00 73.35 H new ATOM 27 N HIS A 3 -4.627 36.055 2.211 1.00 15.42 N ATOM 28 CA HIS A 3 -5.713 35.037 2.302 1.00 0.25 C ATOM 29 C HIS A 3 -5.990 34.352 0.943 1.00 25.43 C ATOM 30 O HIS A 3 -7.037 34.529 0.322 1.00 31.25 O ATOM 31 CB HIS A 3 -7.004 35.593 2.994 1.00 12.41 C ATOM 32 CG HIS A 3 -7.688 36.765 2.320 1.00 65.32 C ATOM 33 ND1 HIS A 3 -8.580 36.620 1.279 1.00 73.23 N ATOM 34 CD2 HIS A 3 -7.616 38.100 2.550 1.00 5.05 C ATOM 35 CE1 HIS A 3 -9.025 37.800 0.910 1.00 35.40 C ATOM 36 NE2 HIS A 3 -8.459 38.716 1.663 1.00 32.33 N ATOM 0 H HIS A 3 -4.003 36.031 3.017 1.00 15.42 H new ATOM 0 HA HIS A 3 -5.349 34.249 2.962 1.00 0.25 H new ATOM 0 HB2 HIS A 3 -7.724 34.779 3.074 1.00 12.41 H new ATOM 0 HB3 HIS A 3 -6.744 35.889 4.010 1.00 12.41 H new ATOM 0 HD1 HIS A 3 -8.853 35.732 0.859 1.00 73.23 H new ATOM 0 HD2 HIS A 3 -7.006 38.588 3.296 1.00 5.05 H new ATOM 0 HE1 HIS A 3 -9.737 37.986 0.120 1.00 35.40 H new ATOM 45 N HIS A 4 -4.994 33.592 0.482 1.00 34.02 N ATOM 46 CA HIS A 4 -5.004 32.939 -0.836 1.00 1.05 C ATOM 47 C HIS A 4 -4.220 31.628 -0.755 1.00 60.23 C ATOM 48 O HIS A 4 -4.769 30.547 -0.982 1.00 45.43 O ATOM 49 CB HIS A 4 -4.382 33.888 -1.893 1.00 44.13 C ATOM 50 CG HIS A 4 -4.300 33.305 -3.278 1.00 74.15 C ATOM 51 ND1 HIS A 4 -3.142 32.769 -3.801 1.00 51.45 N ATOM 52 CD2 HIS A 4 -5.239 33.176 -4.244 1.00 73.32 C ATOM 53 CE1 HIS A 4 -3.370 32.337 -5.023 1.00 73.23 C ATOM 54 NE2 HIS A 4 -4.634 32.575 -5.316 1.00 62.33 N ATOM 0 H HIS A 4 -4.146 33.408 1.018 1.00 34.02 H new ATOM 0 HA HIS A 4 -6.029 32.718 -1.134 1.00 1.05 H new ATOM 0 HB2 HIS A 4 -4.970 34.805 -1.932 1.00 44.13 H new ATOM 0 HB3 HIS A 4 -3.379 34.166 -1.569 1.00 44.13 H new ATOM 0 HD2 HIS A 4 -6.271 33.488 -4.181 1.00 73.32 H new ATOM 0 HE1 HIS A 4 -2.647 31.868 -5.674 1.00 73.23 H new ATOM 0 HE2 HIS A 4 -5.089 32.348 -6.200 1.00 62.33 H new ATOM 63 N HIS A 5 -2.938 31.751 -0.412 1.00 13.43 N ATOM 64 CA HIS A 5 -2.013 30.625 -0.285 1.00 43.21 C ATOM 65 C HIS A 5 -0.802 31.077 0.531 1.00 51.32 C ATOM 66 O HIS A 5 -0.174 32.077 0.159 1.00 65.21 O ATOM 67 CB HIS A 5 -1.557 30.131 -1.686 1.00 51.33 C ATOM 68 CG HIS A 5 -0.504 29.048 -1.656 1.00 73.12 C ATOM 69 ND1 HIS A 5 -0.791 27.731 -1.403 1.00 14.24 N ATOM 70 CD2 HIS A 5 0.845 29.101 -1.836 1.00 11.51 C ATOM 71 CE1 HIS A 5 0.316 27.025 -1.431 1.00 4.24 C ATOM 72 NE2 HIS A 5 1.324 27.827 -1.688 1.00 32.24 N ATOM 0 H HIS A 5 -2.505 32.653 -0.211 1.00 13.43 H new ATOM 0 HA HIS A 5 -2.514 29.798 0.218 1.00 43.21 H new ATOM 0 HB2 HIS A 5 -2.427 29.759 -2.227 1.00 51.33 H new ATOM 0 HB3 HIS A 5 -1.170 30.981 -2.249 1.00 51.33 H new ATOM 0 HD2 HIS A 5 1.428 29.983 -2.055 1.00 11.51 H new ATOM 0 HE1 HIS A 5 0.386 25.959 -1.269 1.00 4.24 H new ATOM 0 HE2 HIS A 5 2.302 27.547 -1.765 1.00 32.24 H new ATOM 81 N HIS A 6 -0.472 30.349 1.619 1.00 53.22 N ATOM 82 CA HIS A 6 0.719 30.641 2.434 1.00 0.31 C ATOM 83 C HIS A 6 1.989 30.361 1.596 1.00 12.10 C ATOM 84 O HIS A 6 2.492 29.234 1.529 1.00 53.45 O ATOM 85 CB HIS A 6 0.694 29.884 3.801 1.00 12.54 C ATOM 86 CG HIS A 6 0.495 28.388 3.747 1.00 74.35 C ATOM 87 ND1 HIS A 6 -0.748 27.788 3.748 1.00 12.03 N ATOM 88 CD2 HIS A 6 1.396 27.371 3.747 1.00 53.24 C ATOM 89 CE1 HIS A 6 -0.601 26.475 3.758 1.00 75.00 C ATOM 90 NE2 HIS A 6 0.683 26.202 3.759 1.00 71.25 N ATOM 0 H HIS A 6 -1.017 29.554 1.951 1.00 53.22 H new ATOM 0 HA HIS A 6 0.724 31.697 2.704 1.00 0.31 H new ATOM 0 HB2 HIS A 6 1.633 30.083 4.317 1.00 12.54 H new ATOM 0 HB3 HIS A 6 -0.102 30.311 4.411 1.00 12.54 H new ATOM 0 HD2 HIS A 6 2.472 27.467 3.739 1.00 53.24 H new ATOM 0 HE1 HIS A 6 -1.401 25.750 3.764 1.00 75.00 H new ATOM 0 HE2 HIS A 6 1.087 25.265 3.767 1.00 71.25 H new ATOM 99 N HIS A 7 2.440 31.409 0.885 1.00 3.35 N ATOM 100 CA HIS A 7 3.542 31.320 -0.087 1.00 30.21 C ATOM 101 C HIS A 7 4.900 31.196 0.623 1.00 61.01 C ATOM 102 O HIS A 7 5.186 31.918 1.587 1.00 10.45 O ATOM 103 CB HIS A 7 3.509 32.520 -1.076 1.00 31.20 C ATOM 104 CG HIS A 7 3.500 33.898 -0.452 1.00 14.43 C ATOM 105 ND1 HIS A 7 2.376 34.693 -0.414 1.00 74.10 N ATOM 106 CD2 HIS A 7 4.488 34.635 0.114 1.00 63.51 C ATOM 107 CE1 HIS A 7 2.675 35.855 0.132 1.00 21.33 C ATOM 108 NE2 HIS A 7 3.944 35.841 0.466 1.00 62.31 N ATOM 0 H HIS A 7 2.047 32.347 0.970 1.00 3.35 H new ATOM 0 HA HIS A 7 3.405 30.412 -0.675 1.00 30.21 H new ATOM 0 HB2 HIS A 7 4.376 32.447 -1.733 1.00 31.20 H new ATOM 0 HB3 HIS A 7 2.624 32.422 -1.704 1.00 31.20 H new ATOM 0 HD2 HIS A 7 5.513 34.328 0.260 1.00 63.51 H new ATOM 0 HE1 HIS A 7 1.992 36.678 0.279 1.00 21.33 H new ATOM 0 HE2 HIS A 7 4.445 36.607 0.916 1.00 62.31 H new ATOM 117 N HIS A 8 5.709 30.240 0.155 1.00 50.40 N ATOM 118 CA HIS A 8 7.047 29.943 0.692 1.00 21.51 C ATOM 119 C HIS A 8 7.981 29.555 -0.458 1.00 41.21 C ATOM 120 O HIS A 8 7.537 28.991 -1.469 1.00 65.23 O ATOM 121 CB HIS A 8 6.994 28.796 1.749 1.00 24.24 C ATOM 122 CG HIS A 8 6.360 29.186 3.060 1.00 41.42 C ATOM 123 ND1 HIS A 8 7.037 29.884 4.036 1.00 43.22 N ATOM 124 CD2 HIS A 8 5.102 29.017 3.540 1.00 51.55 C ATOM 125 CE1 HIS A 8 6.233 30.126 5.045 1.00 11.44 C ATOM 126 NE2 HIS A 8 5.051 29.616 4.770 1.00 64.23 N ATOM 0 H HIS A 8 5.449 29.636 -0.625 1.00 50.40 H new ATOM 0 HA HIS A 8 7.425 30.836 1.190 1.00 21.51 H new ATOM 0 HB2 HIS A 8 6.442 27.956 1.328 1.00 24.24 H new ATOM 0 HB3 HIS A 8 8.009 28.447 1.940 1.00 24.24 H new ATOM 0 HD2 HIS A 8 4.291 28.505 3.044 1.00 51.55 H new ATOM 0 HE1 HIS A 8 6.497 30.655 5.949 1.00 11.44 H new ATOM 0 HE2 HIS A 8 4.231 29.660 5.375 1.00 64.23 H new ATOM 135 N SER A 9 9.272 29.880 -0.297 1.00 41.44 N ATOM 136 CA SER A 9 10.325 29.543 -1.266 1.00 43.30 C ATOM 137 C SER A 9 10.903 28.148 -0.950 1.00 15.02 C ATOM 138 O SER A 9 10.323 27.385 -0.150 1.00 60.54 O ATOM 139 CB SER A 9 11.421 30.641 -1.211 1.00 62.35 C ATOM 140 OG SER A 9 12.399 30.465 -2.225 1.00 74.51 O ATOM 0 H SER A 9 9.618 30.389 0.517 1.00 41.44 H new ATOM 0 HA SER A 9 9.916 29.507 -2.276 1.00 43.30 H new ATOM 0 HB2 SER A 9 10.958 31.622 -1.320 1.00 62.35 H new ATOM 0 HB3 SER A 9 11.904 30.623 -0.234 1.00 62.35 H new ATOM 0 HG SER A 9 13.070 31.176 -2.159 1.00 74.51 H new ATOM 146 N HIS A 10 12.039 27.805 -1.588 1.00 11.52 N ATOM 147 CA HIS A 10 12.779 26.566 -1.306 1.00 41.15 C ATOM 148 C HIS A 10 13.649 26.773 -0.037 1.00 23.53 C ATOM 149 O HIS A 10 14.877 26.767 -0.082 1.00 22.05 O ATOM 150 CB HIS A 10 13.624 26.150 -2.549 1.00 51.44 C ATOM 151 CG HIS A 10 14.071 24.706 -2.545 1.00 72.42 C ATOM 152 ND1 HIS A 10 13.452 23.726 -3.296 1.00 73.41 N ATOM 153 CD2 HIS A 10 15.070 24.079 -1.881 1.00 33.31 C ATOM 154 CE1 HIS A 10 14.052 22.573 -3.093 1.00 55.33 C ATOM 155 NE2 HIS A 10 15.032 22.761 -2.242 1.00 44.31 N ATOM 0 H HIS A 10 12.467 28.381 -2.313 1.00 11.52 H new ATOM 0 HA HIS A 10 12.087 25.747 -1.108 1.00 41.15 H new ATOM 0 HB2 HIS A 10 13.038 26.334 -3.450 1.00 51.44 H new ATOM 0 HB3 HIS A 10 14.504 26.790 -2.605 1.00 51.44 H new ATOM 0 HD2 HIS A 10 15.767 24.535 -1.194 1.00 33.31 H new ATOM 0 HE1 HIS A 10 13.783 21.632 -3.549 1.00 55.33 H new ATOM 0 HE2 HIS A 10 15.666 22.038 -1.903 1.00 44.31 H new ATOM 164 N MET A 11 12.966 27.031 1.087 1.00 11.12 N ATOM 165 CA MET A 11 13.581 27.188 2.416 1.00 72.14 C ATOM 166 C MET A 11 13.351 25.917 3.238 1.00 35.54 C ATOM 167 O MET A 11 14.103 25.621 4.168 1.00 51.34 O ATOM 168 CB MET A 11 12.958 28.415 3.126 1.00 42.32 C ATOM 169 CG MET A 11 13.189 29.751 2.403 1.00 14.31 C ATOM 170 SD MET A 11 14.931 30.213 2.339 1.00 31.12 S ATOM 171 CE MET A 11 14.845 31.853 1.616 1.00 21.15 C ATOM 0 H MET A 11 11.952 27.139 1.100 1.00 11.12 H new ATOM 0 HA MET A 11 14.654 27.348 2.313 1.00 72.14 H new ATOM 0 HB2 MET A 11 11.885 28.253 3.231 1.00 42.32 H new ATOM 0 HB3 MET A 11 13.370 28.485 4.133 1.00 42.32 H new ATOM 0 HG2 MET A 11 12.797 29.683 1.388 1.00 14.31 H new ATOM 0 HG3 MET A 11 12.627 30.536 2.909 1.00 14.31 H new ATOM 0 HE1 MET A 11 15.851 32.260 1.518 1.00 21.15 H new ATOM 0 HE2 MET A 11 14.380 31.793 0.632 1.00 21.15 H new ATOM 0 HE3 MET A 11 14.251 32.503 2.259 1.00 21.15 H new ATOM 181 N ASN A 12 12.273 25.194 2.894 1.00 62.12 N ATOM 182 CA ASN A 12 11.964 23.877 3.466 1.00 43.33 C ATOM 183 C ASN A 12 13.033 22.865 2.999 1.00 55.43 C ATOM 184 O ASN A 12 13.475 22.949 1.842 1.00 5.01 O ATOM 185 CB ASN A 12 10.548 23.388 3.029 1.00 31.32 C ATOM 186 CG ASN A 12 9.425 24.383 3.344 1.00 35.30 C ATOM 187 OD1 ASN A 12 9.597 25.596 3.241 1.00 15.33 O ATOM 188 ND2 ASN A 12 8.271 23.887 3.742 1.00 64.34 N ATOM 0 H ASN A 12 11.588 25.510 2.207 1.00 62.12 H new ATOM 0 HA ASN A 12 11.969 23.957 4.553 1.00 43.33 H new ATOM 0 HB2 ASN A 12 10.557 23.192 1.957 1.00 31.32 H new ATOM 0 HB3 ASN A 12 10.332 22.442 3.525 1.00 31.32 H new ATOM 0 HD21 ASN A 12 7.499 24.513 3.972 1.00 64.34 H new ATOM 0 HD22 ASN A 12 8.150 22.877 3.821 1.00 64.34 H new ATOM 195 N PRO A 13 13.445 21.878 3.867 1.00 34.24 N ATOM 196 CA PRO A 13 14.497 20.883 3.513 1.00 53.32 C ATOM 197 C PRO A 13 14.104 20.028 2.291 1.00 34.44 C ATOM 198 O PRO A 13 14.969 19.562 1.552 1.00 11.35 O ATOM 199 CB PRO A 13 14.625 20.017 4.798 1.00 15.55 C ATOM 200 CG PRO A 13 13.321 20.206 5.512 1.00 5.04 C ATOM 201 CD PRO A 13 12.918 21.638 5.238 1.00 44.10 C ATOM 0 HA PRO A 13 15.435 21.357 3.223 1.00 53.32 H new ATOM 0 HB2 PRO A 13 14.795 18.968 4.554 1.00 15.55 H new ATOM 0 HB3 PRO A 13 15.464 20.342 5.413 1.00 15.55 H new ATOM 0 HG2 PRO A 13 12.568 19.509 5.146 1.00 5.04 H new ATOM 0 HG3 PRO A 13 13.429 20.026 6.582 1.00 5.04 H new ATOM 0 HD2 PRO A 13 11.837 21.769 5.283 1.00 44.10 H new ATOM 0 HD3 PRO A 13 13.353 22.325 5.964 1.00 44.10 H new ATOM 209 N ASP A 14 12.784 19.863 2.102 1.00 55.54 N ATOM 210 CA ASP A 14 12.204 19.156 0.961 1.00 53.13 C ATOM 211 C ASP A 14 10.698 19.442 0.923 1.00 33.41 C ATOM 212 O ASP A 14 9.928 18.898 1.715 1.00 21.14 O ATOM 213 CB ASP A 14 12.493 17.630 1.052 1.00 40.14 C ATOM 214 CG ASP A 14 11.904 16.809 -0.098 1.00 61.22 C ATOM 215 OD1 ASP A 14 12.260 17.068 -1.270 1.00 60.22 O ATOM 216 OD2 ASP A 14 11.117 15.876 0.162 1.00 74.01 O ATOM 0 H ASP A 14 12.085 20.225 2.750 1.00 55.54 H new ATOM 0 HA ASP A 14 12.658 19.509 0.035 1.00 53.13 H new ATOM 0 HB2 ASP A 14 13.572 17.477 1.077 1.00 40.14 H new ATOM 0 HB3 ASP A 14 12.095 17.252 1.994 1.00 40.14 H new ATOM 221 N LEU A 15 10.292 20.333 0.011 1.00 31.03 N ATOM 222 CA LEU A 15 8.879 20.687 -0.201 1.00 60.11 C ATOM 223 C LEU A 15 8.061 19.467 -0.673 1.00 44.11 C ATOM 224 O LEU A 15 6.848 19.403 -0.446 1.00 64.53 O ATOM 225 CB LEU A 15 8.743 21.862 -1.207 1.00 22.42 C ATOM 226 CG LEU A 15 9.384 23.235 -0.768 1.00 62.41 C ATOM 227 CD1 LEU A 15 10.913 23.262 -0.967 1.00 61.33 C ATOM 228 CD2 LEU A 15 8.700 24.433 -1.472 1.00 3.44 C ATOM 0 H LEU A 15 10.935 20.832 -0.604 1.00 31.03 H new ATOM 0 HA LEU A 15 8.474 21.012 0.757 1.00 60.11 H new ATOM 0 HB2 LEU A 15 9.196 21.559 -2.151 1.00 22.42 H new ATOM 0 HB3 LEU A 15 7.683 22.026 -1.401 1.00 22.42 H new ATOM 0 HG LEU A 15 9.206 23.334 0.303 1.00 62.41 H new ATOM 0 HD11 LEU A 15 11.304 24.229 -0.650 1.00 61.33 H new ATOM 0 HD12 LEU A 15 11.371 22.472 -0.372 1.00 61.33 H new ATOM 0 HD13 LEU A 15 11.146 23.104 -2.020 1.00 61.33 H new ATOM 0 HD21 LEU A 15 9.167 25.362 -1.146 1.00 3.44 H new ATOM 0 HD22 LEU A 15 8.810 24.331 -2.552 1.00 3.44 H new ATOM 0 HD23 LEU A 15 7.641 24.450 -1.215 1.00 3.44 H new ATOM 240 N ALA A 16 8.757 18.490 -1.290 1.00 51.33 N ATOM 241 CA ALA A 16 8.162 17.206 -1.698 1.00 4.14 C ATOM 242 C ALA A 16 7.627 16.413 -0.487 1.00 33.51 C ATOM 243 O ALA A 16 6.701 15.606 -0.634 1.00 75.23 O ATOM 244 CB ALA A 16 9.172 16.362 -2.479 1.00 72.52 C ATOM 0 H ALA A 16 9.748 18.572 -1.518 1.00 51.33 H new ATOM 0 HA ALA A 16 7.317 17.434 -2.348 1.00 4.14 H new ATOM 0 HB1 ALA A 16 8.710 15.418 -2.770 1.00 72.52 H new ATOM 0 HB2 ALA A 16 9.485 16.903 -3.372 1.00 72.52 H new ATOM 0 HB3 ALA A 16 10.041 16.162 -1.852 1.00 72.52 H new ATOM 250 N LEU A 17 8.200 16.651 0.715 1.00 12.44 N ATOM 251 CA LEU A 17 7.715 15.998 1.943 1.00 24.43 C ATOM 252 C LEU A 17 6.489 16.751 2.498 1.00 31.00 C ATOM 253 O LEU A 17 5.741 16.197 3.298 1.00 71.32 O ATOM 254 CB LEU A 17 8.876 15.822 2.992 1.00 42.34 C ATOM 255 CG LEU A 17 9.132 16.965 4.062 1.00 0.41 C ATOM 256 CD1 LEU A 17 8.248 16.790 5.324 1.00 33.24 C ATOM 257 CD2 LEU A 17 10.633 17.058 4.454 1.00 11.30 C ATOM 0 H LEU A 17 8.988 17.283 0.856 1.00 12.44 H new ATOM 0 HA LEU A 17 7.380 14.988 1.706 1.00 24.43 H new ATOM 0 HB2 LEU A 17 8.687 14.898 3.538 1.00 42.34 H new ATOM 0 HB3 LEU A 17 9.802 15.680 2.435 1.00 42.34 H new ATOM 0 HG LEU A 17 8.848 17.904 3.587 1.00 0.41 H new ATOM 0 HD11 LEU A 17 8.457 17.595 6.029 1.00 33.24 H new ATOM 0 HD12 LEU A 17 7.196 16.821 5.039 1.00 33.24 H new ATOM 0 HD13 LEU A 17 8.468 15.831 5.793 1.00 33.24 H new ATOM 0 HD21 LEU A 17 10.769 17.852 5.188 1.00 11.30 H new ATOM 0 HD22 LEU A 17 10.957 16.109 4.881 1.00 11.30 H new ATOM 0 HD23 LEU A 17 11.228 17.278 3.567 1.00 11.30 H new ATOM 269 N MET A 18 6.293 18.011 2.068 1.00 4.45 N ATOM 270 CA MET A 18 5.162 18.857 2.518 1.00 51.24 C ATOM 271 C MET A 18 3.888 18.546 1.713 1.00 54.22 C ATOM 272 O MET A 18 2.777 18.499 2.260 1.00 41.23 O ATOM 273 CB MET A 18 5.534 20.359 2.392 1.00 60.50 C ATOM 274 CG MET A 18 6.769 20.755 3.211 1.00 34.53 C ATOM 275 SD MET A 18 6.565 20.410 4.970 1.00 41.30 S ATOM 276 CE MET A 18 8.221 20.709 5.588 1.00 33.11 C ATOM 0 H MET A 18 6.910 18.474 1.401 1.00 4.45 H new ATOM 0 HA MET A 18 4.961 18.632 3.565 1.00 51.24 H new ATOM 0 HB2 MET A 18 5.713 20.594 1.343 1.00 60.50 H new ATOM 0 HB3 MET A 18 4.686 20.963 2.713 1.00 60.50 H new ATOM 0 HG2 MET A 18 7.639 20.216 2.836 1.00 34.53 H new ATOM 0 HG3 MET A 18 6.969 21.818 3.072 1.00 34.53 H new ATOM 0 HE1 MET A 18 8.334 20.241 6.566 1.00 33.11 H new ATOM 0 HE2 MET A 18 8.949 20.286 4.896 1.00 33.11 H new ATOM 0 HE3 MET A 18 8.388 21.782 5.678 1.00 33.11 H new ATOM 286 N VAL A 19 4.080 18.316 0.411 1.00 41.30 N ATOM 287 CA VAL A 19 2.985 18.083 -0.554 1.00 71.22 C ATOM 288 C VAL A 19 2.327 16.687 -0.350 1.00 11.53 C ATOM 289 O VAL A 19 1.200 16.448 -0.785 1.00 12.50 O ATOM 290 CB VAL A 19 3.513 18.238 -2.024 1.00 15.34 C ATOM 291 CG1 VAL A 19 4.530 17.141 -2.360 1.00 73.41 C ATOM 292 CG2 VAL A 19 2.365 18.281 -3.054 1.00 43.15 C ATOM 0 H VAL A 19 5.007 18.285 -0.014 1.00 41.30 H new ATOM 0 HA VAL A 19 2.216 18.835 -0.375 1.00 71.22 H new ATOM 0 HB VAL A 19 4.023 19.199 -2.085 1.00 15.34 H new ATOM 0 HG11 VAL A 19 4.880 17.271 -3.384 1.00 73.41 H new ATOM 0 HG12 VAL A 19 5.376 17.207 -1.676 1.00 73.41 H new ATOM 0 HG13 VAL A 19 4.058 16.164 -2.259 1.00 73.41 H new ATOM 0 HG21 VAL A 19 2.779 18.389 -4.056 1.00 43.15 H new ATOM 0 HG22 VAL A 19 1.790 17.357 -2.997 1.00 43.15 H new ATOM 0 HG23 VAL A 19 1.713 19.128 -2.838 1.00 43.15 H new ATOM 302 N LYS A 20 3.054 15.752 0.281 1.00 14.30 N ATOM 303 CA LYS A 20 2.486 14.435 0.637 1.00 21.50 C ATOM 304 C LYS A 20 1.609 14.544 1.906 1.00 44.12 C ATOM 305 O LYS A 20 0.656 13.771 2.092 1.00 23.43 O ATOM 306 CB LYS A 20 3.608 13.376 0.813 1.00 72.52 C ATOM 307 CG LYS A 20 4.553 13.590 2.015 1.00 70.30 C ATOM 308 CD LYS A 20 5.660 12.506 2.136 1.00 54.52 C ATOM 309 CE LYS A 20 6.661 12.536 0.970 1.00 40.42 C ATOM 310 NZ LYS A 20 7.738 11.516 1.117 1.00 33.44 N ATOM 0 H LYS A 20 4.028 15.878 0.555 1.00 14.30 H new ATOM 0 HA LYS A 20 1.848 14.104 -0.182 1.00 21.50 H new ATOM 0 HB2 LYS A 20 3.143 12.395 0.911 1.00 72.52 H new ATOM 0 HB3 LYS A 20 4.208 13.355 -0.097 1.00 72.52 H new ATOM 0 HG2 LYS A 20 5.023 14.569 1.927 1.00 70.30 H new ATOM 0 HG3 LYS A 20 3.964 13.600 2.932 1.00 70.30 H new ATOM 0 HD2 LYS A 20 6.198 12.648 3.073 1.00 54.52 H new ATOM 0 HD3 LYS A 20 5.194 11.522 2.182 1.00 54.52 H new ATOM 0 HE2 LYS A 20 6.129 12.366 0.034 1.00 40.42 H new ATOM 0 HE3 LYS A 20 7.110 13.527 0.906 1.00 40.42 H new ATOM 0 HZ1 LYS A 20 8.242 11.411 0.213 1.00 33.44 H new ATOM 0 HZ2 LYS A 20 8.407 11.821 1.853 1.00 33.44 H new ATOM 0 HZ3 LYS A 20 7.318 10.604 1.387 1.00 33.44 H new ATOM 324 N ASN A 21 1.924 15.552 2.747 1.00 13.42 N ATOM 325 CA ASN A 21 1.235 15.783 4.029 1.00 11.13 C ATOM 326 C ASN A 21 -0.179 16.351 3.824 1.00 43.32 C ATOM 327 O ASN A 21 -1.024 16.175 4.693 1.00 72.53 O ATOM 328 CB ASN A 21 2.047 16.736 4.948 1.00 23.54 C ATOM 329 CG ASN A 21 3.411 16.194 5.375 1.00 3.33 C ATOM 330 OD1 ASN A 21 3.611 14.985 5.486 1.00 15.20 O ATOM 331 ND2 ASN A 21 4.357 17.093 5.622 1.00 1.51 N ATOM 0 H ASN A 21 2.664 16.227 2.554 1.00 13.42 H new ATOM 0 HA ASN A 21 1.152 14.810 4.514 1.00 11.13 H new ATOM 0 HB2 ASN A 21 2.193 17.684 4.429 1.00 23.54 H new ATOM 0 HB3 ASN A 21 1.459 16.948 5.841 1.00 23.54 H new ATOM 0 HD21 ASN A 21 5.286 16.789 5.914 1.00 1.51 H new ATOM 0 HD22 ASN A 21 4.155 18.087 5.519 1.00 1.51 H new ATOM 338 N LYS A 22 -0.426 17.040 2.688 1.00 45.15 N ATOM 339 CA LYS A 22 -1.766 17.596 2.376 1.00 0.05 C ATOM 340 C LYS A 22 -2.714 16.472 1.903 1.00 61.34 C ATOM 341 O LYS A 22 -3.928 16.532 2.145 1.00 0.13 O ATOM 342 CB LYS A 22 -1.664 18.735 1.338 1.00 73.43 C ATOM 343 CG LYS A 22 -1.108 18.287 -0.015 1.00 54.45 C ATOM 344 CD LYS A 22 -0.720 19.447 -0.949 1.00 43.12 C ATOM 345 CE LYS A 22 -1.908 20.343 -1.322 1.00 55.12 C ATOM 346 NZ LYS A 22 -1.550 21.323 -2.381 1.00 2.35 N ATOM 0 H LYS A 22 0.279 17.225 1.974 1.00 45.15 H new ATOM 0 HA LYS A 22 -2.186 18.028 3.284 1.00 0.05 H new ATOM 0 HB2 LYS A 22 -2.653 19.168 1.189 1.00 73.43 H new ATOM 0 HB3 LYS A 22 -1.028 19.524 1.739 1.00 73.43 H new ATOM 0 HG2 LYS A 22 -0.231 17.661 0.153 1.00 54.45 H new ATOM 0 HG3 LYS A 22 -1.852 17.666 -0.514 1.00 54.45 H new ATOM 0 HD2 LYS A 22 0.047 20.053 -0.467 1.00 43.12 H new ATOM 0 HD3 LYS A 22 -0.279 19.041 -1.859 1.00 43.12 H new ATOM 0 HE2 LYS A 22 -2.737 19.724 -1.665 1.00 55.12 H new ATOM 0 HE3 LYS A 22 -2.254 20.875 -0.436 1.00 55.12 H new ATOM 0 HZ1 LYS A 22 -2.412 21.630 -2.876 1.00 2.35 H new ATOM 0 HZ2 LYS A 22 -1.087 22.148 -1.949 1.00 2.35 H new ATOM 0 HZ3 LYS A 22 -0.900 20.878 -3.060 1.00 2.35 H new ATOM 360 N GLY A 23 -2.135 15.434 1.259 1.00 64.14 N ATOM 361 CA GLY A 23 -2.873 14.206 0.937 1.00 51.33 C ATOM 362 C GLY A 23 -3.286 13.455 2.203 1.00 75.25 C ATOM 363 O GLY A 23 -4.440 13.044 2.350 1.00 45.54 O ATOM 0 H GLY A 23 -1.161 15.428 0.955 1.00 64.14 H new ATOM 0 HA2 GLY A 23 -3.760 14.455 0.354 1.00 51.33 H new ATOM 0 HA3 GLY A 23 -2.254 13.560 0.315 1.00 51.33 H new ATOM 367 N ASN A 24 -2.327 13.333 3.141 1.00 60.23 N ATOM 368 CA ASN A 24 -2.566 12.786 4.495 1.00 34.05 C ATOM 369 C ASN A 24 -3.608 13.647 5.259 1.00 10.12 C ATOM 370 O ASN A 24 -4.470 13.115 5.980 1.00 42.33 O ATOM 371 CB ASN A 24 -1.221 12.715 5.261 1.00 43.23 C ATOM 372 CG ASN A 24 -1.361 12.306 6.732 1.00 53.31 C ATOM 373 OD1 ASN A 24 -1.389 11.122 7.062 1.00 51.34 O ATOM 374 ND2 ASN A 24 -1.456 13.288 7.622 1.00 33.34 N ATOM 0 H ASN A 24 -1.359 13.612 2.982 1.00 60.23 H new ATOM 0 HA ASN A 24 -2.977 11.780 4.413 1.00 34.05 H new ATOM 0 HB2 ASN A 24 -0.565 12.004 4.758 1.00 43.23 H new ATOM 0 HB3 ASN A 24 -0.734 13.689 5.210 1.00 43.23 H new ATOM 0 HD21 ASN A 24 -1.556 13.070 8.613 1.00 33.34 H new ATOM 0 HD22 ASN A 24 -1.429 14.260 7.314 1.00 33.34 H new ATOM 381 N GLU A 25 -3.526 14.980 5.054 1.00 62.54 N ATOM 382 CA GLU A 25 -4.432 15.962 5.676 1.00 54.14 C ATOM 383 C GLU A 25 -5.876 15.727 5.224 1.00 54.31 C ATOM 384 O GLU A 25 -6.775 15.746 6.053 1.00 63.15 O ATOM 385 CB GLU A 25 -3.965 17.435 5.386 1.00 53.11 C ATOM 386 CG GLU A 25 -5.060 18.421 4.907 1.00 31.22 C ATOM 387 CD GLU A 25 -4.508 19.800 4.548 1.00 64.22 C ATOM 388 OE1 GLU A 25 -4.320 20.627 5.461 1.00 33.22 O ATOM 389 OE2 GLU A 25 -4.247 20.056 3.354 1.00 13.10 O ATOM 0 H GLU A 25 -2.824 15.404 4.448 1.00 62.54 H new ATOM 0 HA GLU A 25 -4.395 15.822 6.756 1.00 54.14 H new ATOM 0 HB2 GLU A 25 -3.517 17.837 6.295 1.00 53.11 H new ATOM 0 HB3 GLU A 25 -3.180 17.402 4.631 1.00 53.11 H new ATOM 0 HG2 GLU A 25 -5.564 18.000 4.037 1.00 31.22 H new ATOM 0 HG3 GLU A 25 -5.811 18.529 5.690 1.00 31.22 H new ATOM 396 N CYS A 26 -6.081 15.488 3.915 1.00 14.11 N ATOM 397 CA CYS A 26 -7.425 15.258 3.363 1.00 24.34 C ATOM 398 C CYS A 26 -8.128 14.054 4.032 1.00 31.10 C ATOM 399 O CYS A 26 -9.317 14.150 4.366 1.00 35.41 O ATOM 400 CB CYS A 26 -7.355 15.105 1.850 1.00 51.23 C ATOM 401 SG CYS A 26 -6.732 16.579 1.038 1.00 64.23 S ATOM 0 H CYS A 26 -5.333 15.450 3.223 1.00 14.11 H new ATOM 0 HA CYS A 26 -8.036 16.132 3.588 1.00 24.34 H new ATOM 0 HB2 CYS A 26 -6.713 14.259 1.603 1.00 51.23 H new ATOM 0 HB3 CYS A 26 -8.348 14.874 1.465 1.00 51.23 H new ATOM 0 HG CYS A 26 -6.505 16.321 -0.216 1.00 64.23 H new ATOM 407 N PHE A 27 -7.362 12.967 4.311 1.00 73.24 N ATOM 408 CA PHE A 27 -7.871 11.806 5.090 1.00 14.10 C ATOM 409 C PHE A 27 -8.431 12.240 6.462 1.00 0.34 C ATOM 410 O PHE A 27 -9.490 11.755 6.885 1.00 34.01 O ATOM 411 CB PHE A 27 -6.772 10.730 5.306 1.00 74.35 C ATOM 412 CG PHE A 27 -6.447 9.878 4.080 1.00 14.01 C ATOM 413 CD1 PHE A 27 -7.459 9.191 3.397 1.00 31.43 C ATOM 414 CD2 PHE A 27 -5.137 9.734 3.627 1.00 61.44 C ATOM 415 CE1 PHE A 27 -7.164 8.391 2.309 1.00 1.15 C ATOM 416 CE2 PHE A 27 -4.847 8.930 2.545 1.00 20.34 C ATOM 417 CZ PHE A 27 -5.858 8.261 1.879 1.00 24.30 C ATOM 0 H PHE A 27 -6.392 12.870 4.009 1.00 73.24 H new ATOM 0 HA PHE A 27 -8.678 11.373 4.498 1.00 14.10 H new ATOM 0 HB2 PHE A 27 -5.860 11.227 5.636 1.00 74.35 H new ATOM 0 HB3 PHE A 27 -7.086 10.070 6.115 1.00 74.35 H new ATOM 0 HD1 PHE A 27 -8.483 9.288 3.725 1.00 31.43 H new ATOM 0 HD2 PHE A 27 -4.338 10.259 4.130 1.00 61.44 H new ATOM 0 HE1 PHE A 27 -7.956 7.867 1.795 1.00 1.15 H new ATOM 0 HE2 PHE A 27 -3.824 8.822 2.216 1.00 20.34 H new ATOM 0 HZ PHE A 27 -5.627 7.640 1.026 1.00 24.30 H new ATOM 427 N GLN A 28 -7.741 13.202 7.113 1.00 73.50 N ATOM 428 CA GLN A 28 -8.132 13.718 8.451 1.00 2.54 C ATOM 429 C GLN A 28 -9.493 14.412 8.390 1.00 32.10 C ATOM 430 O GLN A 28 -10.184 14.509 9.406 1.00 74.25 O ATOM 431 CB GLN A 28 -7.101 14.742 9.014 1.00 71.32 C ATOM 432 CG GLN A 28 -5.624 14.331 8.921 1.00 13.21 C ATOM 433 CD GLN A 28 -5.326 12.933 9.470 1.00 74.01 C ATOM 434 OE1 GLN A 28 -5.092 12.752 10.666 1.00 11.24 O ATOM 435 NE2 GLN A 28 -5.290 11.941 8.592 1.00 71.04 N ATOM 0 H GLN A 28 -6.903 13.642 6.733 1.00 73.50 H new ATOM 0 HA GLN A 28 -8.171 12.850 9.109 1.00 2.54 H new ATOM 0 HB2 GLN A 28 -7.229 15.685 8.483 1.00 71.32 H new ATOM 0 HB3 GLN A 28 -7.340 14.930 10.061 1.00 71.32 H new ATOM 0 HG2 GLN A 28 -5.312 14.374 7.878 1.00 13.21 H new ATOM 0 HG3 GLN A 28 -5.021 15.059 9.464 1.00 13.21 H new ATOM 0 HE21 GLN A 28 -5.489 12.123 7.608 1.00 71.04 H new ATOM 0 HE22 GLN A 28 -5.064 10.995 8.900 1.00 71.04 H new ATOM 444 N LYS A 29 -9.855 14.919 7.194 1.00 63.51 N ATOM 445 CA LYS A 29 -11.102 15.668 7.000 1.00 63.00 C ATOM 446 C LYS A 29 -12.228 14.698 6.567 1.00 43.35 C ATOM 447 O LYS A 29 -13.401 15.074 6.563 1.00 23.21 O ATOM 448 CB LYS A 29 -10.919 16.826 5.947 1.00 34.14 C ATOM 449 CG LYS A 29 -9.480 17.397 5.783 1.00 73.23 C ATOM 450 CD LYS A 29 -8.801 17.918 7.082 1.00 70.44 C ATOM 451 CE LYS A 29 -9.266 19.313 7.541 1.00 74.10 C ATOM 452 NZ LYS A 29 -10.690 19.359 7.984 1.00 54.32 N ATOM 0 H LYS A 29 -9.295 14.820 6.347 1.00 63.51 H new ATOM 0 HA LYS A 29 -11.378 16.134 7.946 1.00 63.00 H new ATOM 0 HB2 LYS A 29 -11.253 16.460 4.976 1.00 34.14 H new ATOM 0 HB3 LYS A 29 -11.582 17.646 6.224 1.00 34.14 H new ATOM 0 HG2 LYS A 29 -8.849 16.619 5.354 1.00 73.23 H new ATOM 0 HG3 LYS A 29 -9.515 18.214 5.062 1.00 73.23 H new ATOM 0 HD2 LYS A 29 -8.990 17.205 7.885 1.00 70.44 H new ATOM 0 HD3 LYS A 29 -7.723 17.943 6.926 1.00 70.44 H new ATOM 0 HE2 LYS A 29 -8.630 19.646 8.361 1.00 74.10 H new ATOM 0 HE3 LYS A 29 -9.127 20.019 6.722 1.00 74.10 H new ATOM 0 HZ1 LYS A 29 -10.804 20.094 8.710 1.00 54.32 H new ATOM 0 HZ2 LYS A 29 -11.300 19.578 7.171 1.00 54.32 H new ATOM 0 HZ3 LYS A 29 -10.960 18.436 8.380 1.00 54.32 H new ATOM 466 N GLY A 30 -11.848 13.438 6.235 1.00 63.14 N ATOM 467 CA GLY A 30 -12.792 12.414 5.766 1.00 55.11 C ATOM 468 C GLY A 30 -12.770 12.234 4.257 1.00 1.12 C ATOM 469 O GLY A 30 -13.577 11.484 3.705 1.00 54.32 O ATOM 0 H GLY A 30 -10.882 13.113 6.287 1.00 63.14 H new ATOM 0 HA2 GLY A 30 -12.555 11.463 6.243 1.00 55.11 H new ATOM 0 HA3 GLY A 30 -13.800 12.686 6.079 1.00 55.11 H new ATOM 473 N ASP A 31 -11.836 12.924 3.589 1.00 2.51 N ATOM 474 CA ASP A 31 -11.744 12.955 2.123 1.00 32.32 C ATOM 475 C ASP A 31 -10.696 11.948 1.601 1.00 1.44 C ATOM 476 O ASP A 31 -9.493 12.232 1.602 1.00 44.13 O ATOM 477 CB ASP A 31 -11.401 14.393 1.657 1.00 70.52 C ATOM 478 CG ASP A 31 -12.520 15.400 1.971 1.00 35.44 C ATOM 479 OD1 ASP A 31 -12.542 15.954 3.089 1.00 30.13 O ATOM 480 OD2 ASP A 31 -13.394 15.620 1.107 1.00 54.53 O ATOM 0 H ASP A 31 -11.118 13.480 4.054 1.00 2.51 H new ATOM 0 HA ASP A 31 -12.709 12.662 1.709 1.00 32.32 H new ATOM 0 HB2 ASP A 31 -10.479 14.717 2.140 1.00 70.52 H new ATOM 0 HB3 ASP A 31 -11.213 14.388 0.583 1.00 70.52 H new ATOM 485 N TYR A 32 -11.172 10.764 1.179 1.00 44.54 N ATOM 486 CA TYR A 32 -10.337 9.718 0.541 1.00 62.43 C ATOM 487 C TYR A 32 -10.001 10.056 -0.947 1.00 62.21 C ATOM 488 O TYR A 32 -8.829 9.953 -1.338 1.00 63.11 O ATOM 489 CB TYR A 32 -11.022 8.320 0.672 1.00 32.11 C ATOM 490 CG TYR A 32 -11.007 7.751 2.099 1.00 40.43 C ATOM 491 CD1 TYR A 32 -11.615 8.432 3.164 1.00 73.35 C ATOM 492 CD2 TYR A 32 -10.379 6.539 2.388 1.00 32.12 C ATOM 493 CE1 TYR A 32 -11.592 7.927 4.450 1.00 13.05 C ATOM 494 CE2 TYR A 32 -10.355 6.030 3.672 1.00 64.35 C ATOM 495 CZ TYR A 32 -10.960 6.723 4.702 1.00 3.34 C ATOM 496 OH TYR A 32 -10.928 6.214 5.984 1.00 52.42 O ATOM 0 H TYR A 32 -12.153 10.499 1.269 1.00 44.54 H new ATOM 0 HA TYR A 32 -9.385 9.685 1.071 1.00 62.43 H new ATOM 0 HB2 TYR A 32 -12.055 8.399 0.334 1.00 32.11 H new ATOM 0 HB3 TYR A 32 -10.522 7.617 0.006 1.00 32.11 H new ATOM 0 HD1 TYR A 32 -12.112 9.372 2.975 1.00 73.35 H new ATOM 0 HD2 TYR A 32 -9.902 5.987 1.591 1.00 32.12 H new ATOM 0 HE1 TYR A 32 -12.065 8.470 5.255 1.00 13.05 H new ATOM 0 HE2 TYR A 32 -9.863 5.089 3.870 1.00 64.35 H new ATOM 0 HH TYR A 32 -10.446 5.361 5.985 1.00 52.42 H new ATOM 506 N PRO A 33 -11.010 10.465 -1.824 1.00 21.23 N ATOM 507 CA PRO A 33 -10.713 10.877 -3.223 1.00 44.41 C ATOM 508 C PRO A 33 -9.743 12.067 -3.276 1.00 72.22 C ATOM 509 O PRO A 33 -8.690 11.978 -3.912 1.00 73.42 O ATOM 510 CB PRO A 33 -12.099 11.265 -3.810 1.00 4.30 C ATOM 511 CG PRO A 33 -13.085 10.545 -2.942 1.00 21.53 C ATOM 512 CD PRO A 33 -12.477 10.528 -1.559 1.00 32.34 C ATOM 0 HA PRO A 33 -10.224 10.081 -3.785 1.00 44.41 H new ATOM 0 HB2 PRO A 33 -12.256 12.343 -3.780 1.00 4.30 H new ATOM 0 HB3 PRO A 33 -12.189 10.959 -4.852 1.00 4.30 H new ATOM 0 HG2 PRO A 33 -14.049 11.054 -2.940 1.00 21.53 H new ATOM 0 HG3 PRO A 33 -13.260 9.532 -3.305 1.00 21.53 H new ATOM 0 HD2 PRO A 33 -12.744 11.420 -0.992 1.00 32.34 H new ATOM 0 HD3 PRO A 33 -12.818 9.669 -0.981 1.00 32.34 H new ATOM 520 N GLN A 34 -10.097 13.154 -2.552 1.00 31.13 N ATOM 521 CA GLN A 34 -9.304 14.389 -2.475 1.00 34.42 C ATOM 522 C GLN A 34 -7.834 14.096 -2.087 1.00 34.21 C ATOM 523 O GLN A 34 -6.906 14.638 -2.699 1.00 3.44 O ATOM 524 CB GLN A 34 -9.935 15.375 -1.448 1.00 61.14 C ATOM 525 CG GLN A 34 -9.643 16.863 -1.722 1.00 52.11 C ATOM 526 CD GLN A 34 -10.498 17.437 -2.855 1.00 14.55 C ATOM 527 OE1 GLN A 34 -10.134 17.126 -4.082 1.00 2.41 O flip ATOM 528 NE2 GLN A 34 -11.537 18.044 -2.620 1.00 42.41 N flip ATOM 0 H GLN A 34 -10.954 13.192 -2.000 1.00 31.13 H new ATOM 0 HA GLN A 34 -9.309 14.846 -3.464 1.00 34.42 H new ATOM 0 HB2 GLN A 34 -11.015 15.226 -1.438 1.00 61.14 H new ATOM 0 HB3 GLN A 34 -9.570 15.124 -0.452 1.00 61.14 H new ATOM 0 HG2 GLN A 34 -9.821 17.437 -0.812 1.00 52.11 H new ATOM 0 HG3 GLN A 34 -8.589 16.981 -1.973 1.00 52.11 H new ATOM 0 HE21 GLN A 34 -11.790 18.269 -1.658 1.00 42.41 H new ATOM 0 HE22 GLN A 34 -12.149 18.324 -3.387 1.00 42.41 H new ATOM 537 N ALA A 35 -7.661 13.189 -1.098 1.00 52.51 N ATOM 538 CA ALA A 35 -6.339 12.712 -0.644 1.00 10.45 C ATOM 539 C ALA A 35 -5.505 12.155 -1.805 1.00 20.15 C ATOM 540 O ALA A 35 -4.324 12.484 -1.941 1.00 11.02 O ATOM 541 CB ALA A 35 -6.521 11.641 0.434 1.00 42.50 C ATOM 0 H ALA A 35 -8.440 12.767 -0.592 1.00 52.51 H new ATOM 0 HA ALA A 35 -5.798 13.563 -0.230 1.00 10.45 H new ATOM 0 HB1 ALA A 35 -5.544 11.291 0.767 1.00 42.50 H new ATOM 0 HB2 ALA A 35 -7.063 12.064 1.280 1.00 42.50 H new ATOM 0 HB3 ALA A 35 -7.086 10.804 0.024 1.00 42.50 H new ATOM 547 N MET A 36 -6.171 11.371 -2.670 1.00 41.15 N ATOM 548 CA MET A 36 -5.540 10.674 -3.802 1.00 22.42 C ATOM 549 C MET A 36 -5.084 11.693 -4.864 1.00 60.24 C ATOM 550 O MET A 36 -4.006 11.560 -5.447 1.00 64.42 O ATOM 551 CB MET A 36 -6.563 9.674 -4.390 1.00 53.23 C ATOM 552 CG MET A 36 -6.136 8.933 -5.659 1.00 50.30 C ATOM 553 SD MET A 36 -7.504 8.003 -6.382 1.00 23.31 S ATOM 554 CE MET A 36 -8.701 9.315 -6.694 1.00 0.02 C ATOM 0 H MET A 36 -7.175 11.202 -2.601 1.00 41.15 H new ATOM 0 HA MET A 36 -4.656 10.130 -3.468 1.00 22.42 H new ATOM 0 HB2 MET A 36 -6.797 8.934 -3.624 1.00 53.23 H new ATOM 0 HB3 MET A 36 -7.485 10.214 -4.603 1.00 53.23 H new ATOM 0 HG2 MET A 36 -5.757 9.649 -6.388 1.00 50.30 H new ATOM 0 HG3 MET A 36 -5.317 8.253 -5.425 1.00 50.30 H new ATOM 0 HE1 MET A 36 -9.276 9.077 -7.589 1.00 0.02 H new ATOM 0 HE2 MET A 36 -9.375 9.403 -5.842 1.00 0.02 H new ATOM 0 HE3 MET A 36 -8.176 10.259 -6.840 1.00 0.02 H new ATOM 564 N LYS A 37 -5.904 12.733 -5.059 1.00 72.02 N ATOM 565 CA LYS A 37 -5.625 13.822 -6.018 1.00 21.34 C ATOM 566 C LYS A 37 -4.422 14.664 -5.551 1.00 11.32 C ATOM 567 O LYS A 37 -3.579 15.076 -6.352 1.00 71.12 O ATOM 568 CB LYS A 37 -6.883 14.710 -6.175 1.00 2.21 C ATOM 569 CG LYS A 37 -8.157 13.927 -6.566 1.00 21.31 C ATOM 570 CD LYS A 37 -9.430 14.810 -6.560 1.00 24.00 C ATOM 571 CE LYS A 37 -10.709 13.989 -6.800 1.00 33.23 C ATOM 572 NZ LYS A 37 -11.927 14.848 -6.842 1.00 65.33 N ATOM 0 H LYS A 37 -6.784 12.848 -4.557 1.00 72.02 H new ATOM 0 HA LYS A 37 -5.374 13.386 -6.985 1.00 21.34 H new ATOM 0 HB2 LYS A 37 -7.064 15.235 -5.237 1.00 2.21 H new ATOM 0 HB3 LYS A 37 -6.688 15.469 -6.933 1.00 2.21 H new ATOM 0 HG2 LYS A 37 -8.023 13.497 -7.559 1.00 21.31 H new ATOM 0 HG3 LYS A 37 -8.294 13.096 -5.874 1.00 21.31 H new ATOM 0 HD2 LYS A 37 -9.507 15.327 -5.604 1.00 24.00 H new ATOM 0 HD3 LYS A 37 -9.342 15.576 -7.330 1.00 24.00 H new ATOM 0 HE2 LYS A 37 -10.618 13.443 -7.739 1.00 33.23 H new ATOM 0 HE3 LYS A 37 -10.817 13.247 -6.009 1.00 33.23 H new ATOM 0 HZ1 LYS A 37 -12.765 14.254 -7.006 1.00 65.33 H new ATOM 0 HZ2 LYS A 37 -12.029 15.350 -5.937 1.00 65.33 H new ATOM 0 HZ3 LYS A 37 -11.837 15.540 -7.613 1.00 65.33 H new ATOM 586 N HIS A 38 -4.351 14.909 -4.233 1.00 44.20 N ATOM 587 CA HIS A 38 -3.198 15.592 -3.606 1.00 22.43 C ATOM 588 C HIS A 38 -1.954 14.686 -3.566 1.00 75.41 C ATOM 589 O HIS A 38 -0.832 15.176 -3.420 1.00 71.21 O ATOM 590 CB HIS A 38 -3.560 16.112 -2.201 1.00 70.13 C ATOM 591 CG HIS A 38 -4.551 17.242 -2.228 1.00 73.04 C ATOM 592 ND1 HIS A 38 -5.835 17.312 -1.823 1.00 4.21 N flip ATOM 593 CD2 HIS A 38 -4.261 18.479 -2.750 1.00 73.30 C flip ATOM 594 CE1 HIS A 38 -6.279 18.570 -2.097 1.00 51.40 C flip ATOM 595 NE2 HIS A 38 -5.316 19.256 -2.657 1.00 31.13 N flip ATOM 0 H HIS A 38 -5.082 14.644 -3.573 1.00 44.20 H new ATOM 0 HA HIS A 38 -2.949 16.453 -4.227 1.00 22.43 H new ATOM 0 HB2 HIS A 38 -3.969 15.292 -1.611 1.00 70.13 H new ATOM 0 HB3 HIS A 38 -2.652 16.445 -1.698 1.00 70.13 H new ATOM 0 HD2 HIS A 38 -3.310 18.769 -3.173 1.00 73.30 H new ATOM 0 HE1 HIS A 38 -7.270 18.943 -1.885 1.00 51.40 H new ATOM 0 HE2 HIS A 38 -5.374 20.226 -2.967 1.00 31.13 H new ATOM 604 N TYR A 39 -2.158 13.360 -3.669 1.00 55.44 N ATOM 605 CA TYR A 39 -1.046 12.412 -3.864 1.00 51.51 C ATOM 606 C TYR A 39 -0.541 12.436 -5.308 1.00 32.40 C ATOM 607 O TYR A 39 0.617 12.144 -5.525 1.00 1.34 O ATOM 608 CB TYR A 39 -1.418 10.961 -3.452 1.00 11.20 C ATOM 609 CG TYR A 39 -1.521 10.744 -1.936 1.00 63.11 C ATOM 610 CD1 TYR A 39 -0.575 11.303 -1.059 1.00 43.33 C ATOM 611 CD2 TYR A 39 -2.548 9.985 -1.380 1.00 73.31 C ATOM 612 CE1 TYR A 39 -0.663 11.106 0.302 1.00 21.43 C ATOM 613 CE2 TYR A 39 -2.636 9.792 -0.019 1.00 71.23 C ATOM 614 CZ TYR A 39 -1.691 10.353 0.819 1.00 4.22 C ATOM 615 OH TYR A 39 -1.781 10.163 2.177 1.00 55.14 O ATOM 0 H TYR A 39 -3.078 12.922 -3.621 1.00 55.44 H new ATOM 0 HA TYR A 39 -0.245 12.744 -3.204 1.00 51.51 H new ATOM 0 HB2 TYR A 39 -2.371 10.698 -3.911 1.00 11.20 H new ATOM 0 HB3 TYR A 39 -0.671 10.278 -3.856 1.00 11.20 H new ATOM 0 HD1 TYR A 39 0.234 11.897 -1.459 1.00 43.33 H new ATOM 0 HD2 TYR A 39 -3.289 9.540 -2.028 1.00 73.31 H new ATOM 0 HE1 TYR A 39 0.073 11.542 0.961 1.00 21.43 H new ATOM 0 HE2 TYR A 39 -3.442 9.203 0.393 1.00 71.23 H new ATOM 0 HH TYR A 39 -2.633 10.522 2.502 1.00 55.14 H new ATOM 625 N THR A 40 -1.405 12.781 -6.284 1.00 30.52 N ATOM 626 CA THR A 40 -1.000 12.871 -7.704 1.00 1.24 C ATOM 627 C THR A 40 0.084 13.956 -7.883 1.00 62.25 C ATOM 628 O THR A 40 1.115 13.718 -8.522 1.00 24.54 O ATOM 629 CB THR A 40 -2.215 13.189 -8.644 1.00 21.03 C ATOM 630 OG1 THR A 40 -3.282 12.261 -8.392 1.00 52.32 O ATOM 631 CG2 THR A 40 -1.827 13.127 -10.140 1.00 63.32 C ATOM 0 H THR A 40 -2.387 13.002 -6.116 1.00 30.52 H new ATOM 0 HA THR A 40 -0.601 11.897 -7.986 1.00 1.24 H new ATOM 0 HB THR A 40 -2.538 14.206 -8.424 1.00 21.03 H new ATOM 0 HG1 THR A 40 -4.039 12.465 -8.980 1.00 52.32 H new ATOM 0 HG21 THR A 40 -2.700 13.354 -10.752 1.00 63.32 H new ATOM 0 HG22 THR A 40 -1.042 13.856 -10.343 1.00 63.32 H new ATOM 0 HG23 THR A 40 -1.465 12.127 -10.381 1.00 63.32 H new ATOM 639 N GLU A 41 -0.161 15.135 -7.270 1.00 60.43 N ATOM 640 CA GLU A 41 0.792 16.266 -7.295 1.00 42.23 C ATOM 641 C GLU A 41 2.027 15.969 -6.411 1.00 1.44 C ATOM 642 O GLU A 41 3.115 16.501 -6.672 1.00 25.22 O ATOM 643 CB GLU A 41 0.098 17.586 -6.851 1.00 65.34 C ATOM 644 CG GLU A 41 -0.413 17.595 -5.398 1.00 34.34 C ATOM 645 CD GLU A 41 -0.880 18.977 -4.925 1.00 12.35 C ATOM 646 OE1 GLU A 41 -0.036 19.890 -4.813 1.00 62.01 O ATOM 647 OE2 GLU A 41 -2.080 19.158 -4.631 1.00 3.22 O ATOM 0 H GLU A 41 -1.016 15.328 -6.749 1.00 60.43 H new ATOM 0 HA GLU A 41 1.135 16.393 -8.322 1.00 42.23 H new ATOM 0 HB2 GLU A 41 0.801 18.409 -6.978 1.00 65.34 H new ATOM 0 HB3 GLU A 41 -0.743 17.779 -7.517 1.00 65.34 H new ATOM 0 HG2 GLU A 41 -1.239 16.890 -5.307 1.00 34.34 H new ATOM 0 HG3 GLU A 41 0.381 17.243 -4.739 1.00 34.34 H new ATOM 654 N ALA A 42 1.843 15.121 -5.376 1.00 50.42 N ATOM 655 CA ALA A 42 2.943 14.673 -4.501 1.00 14.45 C ATOM 656 C ALA A 42 3.909 13.749 -5.260 1.00 44.12 C ATOM 657 O ALA A 42 5.124 13.846 -5.099 1.00 3.14 O ATOM 658 CB ALA A 42 2.391 13.980 -3.248 1.00 62.52 C ATOM 0 H ALA A 42 0.934 14.731 -5.126 1.00 50.42 H new ATOM 0 HA ALA A 42 3.503 15.553 -4.184 1.00 14.45 H new ATOM 0 HB1 ALA A 42 3.219 13.657 -2.616 1.00 62.52 H new ATOM 0 HB2 ALA A 42 1.762 14.677 -2.694 1.00 62.52 H new ATOM 0 HB3 ALA A 42 1.800 13.113 -3.542 1.00 62.52 H new ATOM 664 N ILE A 43 3.334 12.873 -6.102 1.00 63.25 N ATOM 665 CA ILE A 43 4.077 11.958 -6.992 1.00 62.31 C ATOM 666 C ILE A 43 4.924 12.757 -7.996 1.00 33.51 C ATOM 667 O ILE A 43 6.042 12.370 -8.321 1.00 52.43 O ATOM 668 CB ILE A 43 3.068 11.001 -7.746 1.00 33.40 C ATOM 669 CG1 ILE A 43 2.430 9.986 -6.738 1.00 54.31 C ATOM 670 CG2 ILE A 43 3.736 10.268 -8.935 1.00 72.33 C ATOM 671 CD1 ILE A 43 1.216 9.243 -7.272 1.00 31.22 C ATOM 0 H ILE A 43 2.322 12.778 -6.186 1.00 63.25 H new ATOM 0 HA ILE A 43 4.751 11.348 -6.390 1.00 62.31 H new ATOM 0 HB ILE A 43 2.276 11.619 -8.168 1.00 33.40 H new ATOM 0 HG12 ILE A 43 3.187 9.257 -6.448 1.00 54.31 H new ATOM 0 HG13 ILE A 43 2.142 10.523 -5.834 1.00 54.31 H new ATOM 0 HG21 ILE A 43 3.005 9.623 -9.422 1.00 72.33 H new ATOM 0 HG22 ILE A 43 4.108 11.000 -9.652 1.00 72.33 H new ATOM 0 HG23 ILE A 43 4.567 9.664 -8.570 1.00 72.33 H new ATOM 0 HD11 ILE A 43 0.841 8.563 -6.508 1.00 31.22 H new ATOM 0 HD12 ILE A 43 0.437 9.959 -7.534 1.00 31.22 H new ATOM 0 HD13 ILE A 43 1.498 8.674 -8.157 1.00 31.22 H new ATOM 683 N LYS A 44 4.393 13.907 -8.443 1.00 42.43 N ATOM 684 CA LYS A 44 5.116 14.810 -9.372 1.00 25.02 C ATOM 685 C LYS A 44 6.373 15.420 -8.716 1.00 51.45 C ATOM 686 O LYS A 44 7.240 15.953 -9.404 1.00 4.54 O ATOM 687 CB LYS A 44 4.172 15.932 -9.885 1.00 72.13 C ATOM 688 CG LYS A 44 2.894 15.422 -10.582 1.00 22.23 C ATOM 689 CD LYS A 44 3.181 14.464 -11.763 1.00 60.33 C ATOM 690 CE LYS A 44 1.892 13.899 -12.385 1.00 12.12 C ATOM 691 NZ LYS A 44 1.028 14.967 -12.958 1.00 42.55 N ATOM 0 H LYS A 44 3.465 14.239 -8.179 1.00 42.43 H new ATOM 0 HA LYS A 44 5.446 14.211 -10.221 1.00 25.02 H new ATOM 0 HB2 LYS A 44 3.885 16.562 -9.043 1.00 72.13 H new ATOM 0 HB3 LYS A 44 4.724 16.563 -10.582 1.00 72.13 H new ATOM 0 HG2 LYS A 44 2.270 14.909 -9.850 1.00 22.23 H new ATOM 0 HG3 LYS A 44 2.322 16.275 -10.946 1.00 22.23 H new ATOM 0 HD2 LYS A 44 3.748 14.994 -12.528 1.00 60.33 H new ATOM 0 HD3 LYS A 44 3.805 13.641 -11.416 1.00 60.33 H new ATOM 0 HE2 LYS A 44 2.151 13.185 -13.167 1.00 12.12 H new ATOM 0 HE3 LYS A 44 1.334 13.351 -11.625 1.00 12.12 H new ATOM 0 HZ1 LYS A 44 0.205 14.535 -13.425 1.00 42.55 H new ATOM 0 HZ2 LYS A 44 0.703 15.596 -12.197 1.00 42.55 H new ATOM 0 HZ3 LYS A 44 1.571 15.517 -13.653 1.00 42.55 H new ATOM 705 N ARG A 45 6.446 15.341 -7.377 1.00 32.10 N ATOM 706 CA ARG A 45 7.592 15.817 -6.588 1.00 1.11 C ATOM 707 C ARG A 45 8.526 14.650 -6.217 1.00 52.42 C ATOM 708 O ARG A 45 9.752 14.799 -6.248 1.00 54.54 O ATOM 709 CB ARG A 45 7.086 16.519 -5.305 1.00 72.03 C ATOM 710 CG ARG A 45 6.185 17.740 -5.550 1.00 54.34 C ATOM 711 CD ARG A 45 6.912 18.905 -6.229 1.00 70.15 C ATOM 712 NE ARG A 45 6.026 20.064 -6.393 1.00 74.30 N ATOM 713 CZ ARG A 45 6.324 21.189 -7.062 1.00 10.54 C ATOM 714 NH1 ARG A 45 7.503 21.348 -7.659 1.00 11.30 N ATOM 715 NH2 ARG A 45 5.435 22.168 -7.098 1.00 75.23 N ATOM 0 H ARG A 45 5.702 14.940 -6.806 1.00 32.10 H new ATOM 0 HA ARG A 45 8.157 16.527 -7.191 1.00 1.11 H new ATOM 0 HB2 ARG A 45 6.536 15.794 -4.704 1.00 72.03 H new ATOM 0 HB3 ARG A 45 7.948 16.833 -4.716 1.00 72.03 H new ATOM 0 HG2 ARG A 45 5.339 17.440 -6.168 1.00 54.34 H new ATOM 0 HG3 ARG A 45 5.779 18.080 -4.597 1.00 54.34 H new ATOM 0 HD2 ARG A 45 7.781 19.190 -5.635 1.00 70.15 H new ATOM 0 HD3 ARG A 45 7.282 18.587 -7.204 1.00 70.15 H new ATOM 0 HE ARG A 45 5.104 20.010 -5.961 1.00 74.30 H new ATOM 0 HH11 ARG A 45 8.202 20.606 -7.614 1.00 11.30 H new ATOM 0 HH12 ARG A 45 7.708 22.211 -8.162 1.00 11.30 H new ATOM 0 HH21 ARG A 45 4.539 22.061 -6.622 1.00 75.23 H new ATOM 0 HH22 ARG A 45 5.645 23.030 -7.602 1.00 75.23 H new ATOM 729 N ASN A 46 7.929 13.487 -5.857 1.00 13.03 N ATOM 730 CA ASN A 46 8.687 12.296 -5.406 1.00 61.14 C ATOM 731 C ASN A 46 8.104 10.993 -6.000 1.00 41.12 C ATOM 732 O ASN A 46 7.484 10.188 -5.293 1.00 63.13 O ATOM 733 CB ASN A 46 8.788 12.267 -3.845 1.00 14.54 C ATOM 734 CG ASN A 46 7.479 12.529 -3.064 1.00 11.55 C ATOM 735 OD1 ASN A 46 7.501 13.214 -2.055 1.00 30.00 O ATOM 736 ND2 ASN A 46 6.351 11.968 -3.475 1.00 33.03 N ATOM 0 H ASN A 46 6.918 13.350 -5.871 1.00 13.03 H new ATOM 0 HA ASN A 46 9.705 12.367 -5.788 1.00 61.14 H new ATOM 0 HB2 ASN A 46 9.174 11.293 -3.546 1.00 14.54 H new ATOM 0 HB3 ASN A 46 9.524 13.010 -3.537 1.00 14.54 H new ATOM 0 HD21 ASN A 46 5.490 12.107 -2.946 1.00 33.03 H new ATOM 0 HD22 ASN A 46 6.344 11.397 -4.320 1.00 33.03 H new ATOM 743 N PRO A 47 8.322 10.741 -7.332 1.00 62.10 N ATOM 744 CA PRO A 47 7.694 9.600 -8.038 1.00 72.32 C ATOM 745 C PRO A 47 8.359 8.251 -7.727 1.00 34.04 C ATOM 746 O PRO A 47 7.769 7.197 -7.965 1.00 52.12 O ATOM 747 CB PRO A 47 7.879 9.988 -9.522 1.00 34.43 C ATOM 748 CG PRO A 47 9.163 10.757 -9.549 1.00 62.35 C ATOM 749 CD PRO A 47 9.194 11.542 -8.251 1.00 4.12 C ATOM 0 HA PRO A 47 6.657 9.448 -7.739 1.00 72.32 H new ATOM 0 HB2 PRO A 47 7.931 9.106 -10.160 1.00 34.43 H new ATOM 0 HB3 PRO A 47 7.046 10.593 -9.881 1.00 34.43 H new ATOM 0 HG2 PRO A 47 10.020 10.087 -9.623 1.00 62.35 H new ATOM 0 HG3 PRO A 47 9.203 11.423 -10.411 1.00 62.35 H new ATOM 0 HD2 PRO A 47 10.208 11.634 -7.862 1.00 4.12 H new ATOM 0 HD3 PRO A 47 8.812 12.554 -8.385 1.00 4.12 H new ATOM 757 N LYS A 48 9.599 8.300 -7.206 1.00 64.40 N ATOM 758 CA LYS A 48 10.389 7.095 -6.921 1.00 71.42 C ATOM 759 C LYS A 48 10.063 6.538 -5.521 1.00 15.50 C ATOM 760 O LYS A 48 10.485 5.434 -5.173 1.00 22.21 O ATOM 761 CB LYS A 48 11.908 7.398 -7.130 1.00 54.14 C ATOM 762 CG LYS A 48 12.513 8.595 -6.342 1.00 15.04 C ATOM 763 CD LYS A 48 12.900 8.229 -4.891 1.00 4.42 C ATOM 764 CE LYS A 48 13.699 9.330 -4.171 1.00 4.40 C ATOM 765 NZ LYS A 48 12.926 10.586 -3.991 1.00 42.30 N ATOM 0 H LYS A 48 10.076 9.171 -6.973 1.00 64.40 H new ATOM 0 HA LYS A 48 10.120 6.306 -7.623 1.00 71.42 H new ATOM 0 HB2 LYS A 48 12.470 6.502 -6.866 1.00 54.14 H new ATOM 0 HB3 LYS A 48 12.073 7.576 -8.193 1.00 54.14 H new ATOM 0 HG2 LYS A 48 13.396 8.959 -6.867 1.00 15.04 H new ATOM 0 HG3 LYS A 48 11.793 9.413 -6.325 1.00 15.04 H new ATOM 0 HD2 LYS A 48 11.993 8.020 -4.324 1.00 4.42 H new ATOM 0 HD3 LYS A 48 13.489 7.312 -4.901 1.00 4.42 H new ATOM 0 HE2 LYS A 48 14.016 8.962 -3.195 1.00 4.40 H new ATOM 0 HE3 LYS A 48 14.604 9.545 -4.739 1.00 4.40 H new ATOM 0 HZ1 LYS A 48 13.438 11.219 -3.344 1.00 42.30 H new ATOM 0 HZ2 LYS A 48 12.806 11.055 -4.912 1.00 42.30 H new ATOM 0 HZ3 LYS A 48 11.992 10.364 -3.591 1.00 42.30 H new ATOM 779 N ASP A 49 9.315 7.329 -4.727 1.00 54.53 N ATOM 780 CA ASP A 49 8.837 6.934 -3.398 1.00 12.25 C ATOM 781 C ASP A 49 7.578 6.054 -3.519 1.00 34.52 C ATOM 782 O ASP A 49 6.458 6.561 -3.661 1.00 64.42 O ATOM 783 CB ASP A 49 8.545 8.194 -2.541 1.00 64.10 C ATOM 784 CG ASP A 49 9.811 8.910 -2.066 1.00 44.12 C ATOM 785 OD1 ASP A 49 10.485 9.547 -2.892 1.00 53.15 O ATOM 786 OD2 ASP A 49 10.157 8.805 -0.866 1.00 62.43 O ATOM 0 H ASP A 49 9.026 8.269 -4.998 1.00 54.53 H new ATOM 0 HA ASP A 49 9.614 6.351 -2.904 1.00 12.25 H new ATOM 0 HB2 ASP A 49 7.940 8.889 -3.124 1.00 64.10 H new ATOM 0 HB3 ASP A 49 7.952 7.905 -1.673 1.00 64.10 H new ATOM 791 N ALA A 50 7.789 4.730 -3.471 1.00 31.22 N ATOM 792 CA ALA A 50 6.715 3.729 -3.543 1.00 31.55 C ATOM 793 C ALA A 50 5.858 3.680 -2.262 1.00 24.14 C ATOM 794 O ALA A 50 4.765 3.115 -2.285 1.00 43.24 O ATOM 795 CB ALA A 50 7.286 2.353 -3.896 1.00 75.32 C ATOM 0 H ALA A 50 8.719 4.321 -3.380 1.00 31.22 H new ATOM 0 HA ALA A 50 6.041 4.036 -4.342 1.00 31.55 H new ATOM 0 HB1 ALA A 50 6.476 1.625 -3.945 1.00 75.32 H new ATOM 0 HB2 ALA A 50 7.787 2.404 -4.863 1.00 75.32 H new ATOM 0 HB3 ALA A 50 8.002 2.049 -3.132 1.00 75.32 H new ATOM 801 N LYS A 51 6.354 4.242 -1.133 1.00 32.40 N ATOM 802 CA LYS A 51 5.529 4.356 0.105 1.00 22.31 C ATOM 803 C LYS A 51 4.357 5.350 -0.098 1.00 15.45 C ATOM 804 O LYS A 51 3.353 5.280 0.614 1.00 14.33 O ATOM 805 CB LYS A 51 6.359 4.744 1.368 1.00 53.41 C ATOM 806 CG LYS A 51 6.822 6.222 1.462 1.00 4.03 C ATOM 807 CD LYS A 51 8.110 6.529 0.670 1.00 71.30 C ATOM 808 CE LYS A 51 9.367 5.933 1.322 1.00 74.50 C ATOM 809 NZ LYS A 51 10.585 6.223 0.521 1.00 2.52 N ATOM 0 H LYS A 51 7.299 4.617 -1.049 1.00 32.40 H new ATOM 0 HA LYS A 51 5.126 3.360 0.290 1.00 22.31 H new ATOM 0 HB2 LYS A 51 5.763 4.516 2.252 1.00 53.41 H new ATOM 0 HB3 LYS A 51 7.242 4.106 1.406 1.00 53.41 H new ATOM 0 HG2 LYS A 51 6.022 6.866 1.098 1.00 4.03 H new ATOM 0 HG3 LYS A 51 6.983 6.475 2.510 1.00 4.03 H new ATOM 0 HD2 LYS A 51 8.011 6.137 -0.342 1.00 71.30 H new ATOM 0 HD3 LYS A 51 8.229 7.609 0.583 1.00 71.30 H new ATOM 0 HE2 LYS A 51 9.485 6.340 2.326 1.00 74.50 H new ATOM 0 HE3 LYS A 51 9.247 4.855 1.427 1.00 74.50 H new ATOM 0 HZ1 LYS A 51 11.424 6.170 1.133 1.00 2.52 H new ATOM 0 HZ2 LYS A 51 10.671 5.525 -0.245 1.00 2.52 H new ATOM 0 HZ3 LYS A 51 10.514 7.177 0.114 1.00 2.52 H new ATOM 823 N LEU A 52 4.500 6.270 -1.075 1.00 45.13 N ATOM 824 CA LEU A 52 3.389 7.149 -1.521 1.00 34.24 C ATOM 825 C LEU A 52 2.341 6.322 -2.276 1.00 74.05 C ATOM 826 O LEU A 52 1.131 6.561 -2.165 1.00 74.11 O ATOM 827 CB LEU A 52 3.923 8.317 -2.414 1.00 33.31 C ATOM 828 CG LEU A 52 4.386 9.602 -1.651 1.00 32.32 C ATOM 829 CD1 LEU A 52 3.194 10.267 -0.923 1.00 13.13 C ATOM 830 CD2 LEU A 52 5.553 9.312 -0.671 1.00 24.23 C ATOM 0 H LEU A 52 5.376 6.427 -1.574 1.00 45.13 H new ATOM 0 HA LEU A 52 2.921 7.592 -0.642 1.00 34.24 H new ATOM 0 HB2 LEU A 52 4.762 7.945 -3.002 1.00 33.31 H new ATOM 0 HB3 LEU A 52 3.140 8.598 -3.118 1.00 33.31 H new ATOM 0 HG LEU A 52 4.766 10.302 -2.395 1.00 32.32 H new ATOM 0 HD11 LEU A 52 3.539 11.158 -0.399 1.00 13.13 H new ATOM 0 HD12 LEU A 52 2.433 10.546 -1.651 1.00 13.13 H new ATOM 0 HD13 LEU A 52 2.769 9.566 -0.205 1.00 13.13 H new ATOM 0 HD21 LEU A 52 5.840 10.233 -0.164 1.00 24.23 H new ATOM 0 HD22 LEU A 52 5.234 8.576 0.067 1.00 24.23 H new ATOM 0 HD23 LEU A 52 6.406 8.922 -1.226 1.00 24.23 H new ATOM 842 N TYR A 53 2.845 5.340 -3.030 1.00 13.33 N ATOM 843 CA TYR A 53 2.025 4.383 -3.776 1.00 53.23 C ATOM 844 C TYR A 53 1.413 3.313 -2.859 1.00 3.15 C ATOM 845 O TYR A 53 0.487 2.621 -3.257 1.00 24.12 O ATOM 846 CB TYR A 53 2.850 3.752 -4.901 1.00 64.11 C ATOM 847 CG TYR A 53 3.195 4.723 -6.041 1.00 21.13 C ATOM 848 CD1 TYR A 53 2.213 5.152 -6.941 1.00 45.04 C ATOM 849 CD2 TYR A 53 4.500 5.173 -6.251 1.00 75.23 C ATOM 850 CE1 TYR A 53 2.532 5.978 -7.999 1.00 74.33 C ATOM 851 CE2 TYR A 53 4.813 6.006 -7.297 1.00 63.32 C ATOM 852 CZ TYR A 53 3.834 6.400 -8.172 1.00 52.21 C ATOM 853 OH TYR A 53 4.164 7.209 -9.233 1.00 25.22 O ATOM 0 H TYR A 53 3.847 5.186 -3.140 1.00 13.33 H new ATOM 0 HA TYR A 53 1.190 4.926 -4.219 1.00 53.23 H new ATOM 0 HB2 TYR A 53 3.775 3.356 -4.482 1.00 64.11 H new ATOM 0 HB3 TYR A 53 2.299 2.906 -5.312 1.00 64.11 H new ATOM 0 HD1 TYR A 53 1.191 4.832 -6.805 1.00 45.04 H new ATOM 0 HD2 TYR A 53 5.281 4.859 -5.575 1.00 75.23 H new ATOM 0 HE1 TYR A 53 1.764 6.293 -8.690 1.00 74.33 H new ATOM 0 HE2 TYR A 53 5.828 6.350 -7.430 1.00 63.32 H new ATOM 0 HH TYR A 53 5.122 7.413 -9.203 1.00 25.22 H new ATOM 863 N SER A 54 1.951 3.177 -1.635 1.00 63.34 N ATOM 864 CA SER A 54 1.310 2.379 -0.573 1.00 61.20 C ATOM 865 C SER A 54 -0.034 3.030 -0.185 1.00 53.31 C ATOM 866 O SER A 54 -1.025 2.334 0.028 1.00 22.31 O ATOM 867 CB SER A 54 2.234 2.258 0.659 1.00 15.42 C ATOM 868 OG SER A 54 1.619 1.523 1.706 1.00 21.34 O ATOM 0 H SER A 54 2.831 3.610 -1.355 1.00 63.34 H new ATOM 0 HA SER A 54 1.126 1.372 -0.947 1.00 61.20 H new ATOM 0 HB2 SER A 54 3.165 1.770 0.369 1.00 15.42 H new ATOM 0 HB3 SER A 54 2.495 3.254 1.018 1.00 15.42 H new ATOM 0 HG SER A 54 1.829 1.942 2.567 1.00 21.34 H new ATOM 874 N ASN A 55 -0.039 4.378 -0.126 1.00 2.41 N ATOM 875 CA ASN A 55 -1.246 5.181 0.169 1.00 51.11 C ATOM 876 C ASN A 55 -2.169 5.261 -1.057 1.00 71.32 C ATOM 877 O ASN A 55 -3.389 5.389 -0.910 1.00 73.43 O ATOM 878 CB ASN A 55 -0.859 6.614 0.627 1.00 12.53 C ATOM 879 CG ASN A 55 0.013 6.658 1.890 1.00 22.51 C ATOM 880 OD1 ASN A 55 0.845 5.784 2.127 1.00 73.05 O ATOM 881 ND2 ASN A 55 -0.179 7.672 2.721 1.00 24.02 N ATOM 0 H ASN A 55 0.796 4.943 -0.282 1.00 2.41 H new ATOM 0 HA ASN A 55 -1.781 4.684 0.978 1.00 51.11 H new ATOM 0 HB2 ASN A 55 -0.328 7.112 -0.185 1.00 12.53 H new ATOM 0 HB3 ASN A 55 -1.770 7.184 0.808 1.00 12.53 H new ATOM 0 HD21 ASN A 55 0.369 7.739 3.579 1.00 24.02 H new ATOM 0 HD22 ASN A 55 -0.875 8.385 2.503 1.00 24.02 H new ATOM 888 N ARG A 56 -1.567 5.203 -2.256 1.00 11.55 N ATOM 889 CA ARG A 56 -2.292 5.253 -3.542 1.00 21.41 C ATOM 890 C ARG A 56 -3.127 3.969 -3.719 1.00 40.34 C ATOM 891 O ARG A 56 -4.340 4.027 -3.975 1.00 21.01 O ATOM 892 CB ARG A 56 -1.271 5.413 -4.702 1.00 12.13 C ATOM 893 CG ARG A 56 -1.861 5.748 -6.085 1.00 22.42 C ATOM 894 CD ARG A 56 -2.530 7.132 -6.122 1.00 63.22 C ATOM 895 NE ARG A 56 -2.931 7.516 -7.488 1.00 45.04 N ATOM 896 CZ ARG A 56 -3.064 8.784 -7.918 1.00 42.54 C ATOM 897 NH1 ARG A 56 -2.815 9.797 -7.100 1.00 42.12 N ATOM 898 NH2 ARG A 56 -3.451 9.029 -9.161 1.00 4.42 N ATOM 0 H ARG A 56 -0.556 5.119 -2.364 1.00 11.55 H new ATOM 0 HA ARG A 56 -2.970 6.107 -3.552 1.00 21.41 H new ATOM 0 HB2 ARG A 56 -0.565 6.198 -4.431 1.00 12.13 H new ATOM 0 HB3 ARG A 56 -0.701 4.488 -4.787 1.00 12.13 H new ATOM 0 HG2 ARG A 56 -1.069 5.711 -6.833 1.00 22.42 H new ATOM 0 HG3 ARG A 56 -2.592 4.987 -6.358 1.00 22.42 H new ATOM 0 HD2 ARG A 56 -3.407 7.128 -5.474 1.00 63.22 H new ATOM 0 HD3 ARG A 56 -1.842 7.878 -5.723 1.00 63.22 H new ATOM 0 HE ARG A 56 -3.121 6.767 -8.154 1.00 45.04 H new ATOM 0 HH11 ARG A 56 -2.521 9.617 -6.140 1.00 42.12 H new ATOM 0 HH12 ARG A 56 -2.917 10.756 -7.431 1.00 42.12 H new ATOM 0 HH21 ARG A 56 -3.649 8.255 -9.795 1.00 4.42 H new ATOM 0 HH22 ARG A 56 -3.551 9.991 -9.484 1.00 4.42 H new ATOM 912 N ALA A 57 -2.449 2.820 -3.544 1.00 64.11 N ATOM 913 CA ALA A 57 -3.067 1.485 -3.591 1.00 52.41 C ATOM 914 C ALA A 57 -4.074 1.300 -2.440 1.00 44.13 C ATOM 915 O ALA A 57 -5.107 0.651 -2.618 1.00 24.44 O ATOM 916 CB ALA A 57 -1.981 0.396 -3.545 1.00 11.34 C ATOM 0 H ALA A 57 -1.445 2.794 -3.364 1.00 64.11 H new ATOM 0 HA ALA A 57 -3.614 1.393 -4.529 1.00 52.41 H new ATOM 0 HB1 ALA A 57 -2.450 -0.587 -3.580 1.00 11.34 H new ATOM 0 HB2 ALA A 57 -1.314 0.511 -4.400 1.00 11.34 H new ATOM 0 HB3 ALA A 57 -1.408 0.492 -2.622 1.00 11.34 H new ATOM 922 N ALA A 58 -3.761 1.893 -1.264 1.00 53.43 N ATOM 923 CA ALA A 58 -4.659 1.874 -0.086 1.00 0.31 C ATOM 924 C ALA A 58 -5.946 2.662 -0.354 1.00 1.25 C ATOM 925 O ALA A 58 -7.017 2.299 0.135 1.00 72.33 O ATOM 926 CB ALA A 58 -3.951 2.435 1.149 1.00 30.13 C ATOM 0 H ALA A 58 -2.887 2.394 -1.106 1.00 53.43 H new ATOM 0 HA ALA A 58 -4.926 0.834 0.104 1.00 0.31 H new ATOM 0 HB1 ALA A 58 -4.631 2.411 2.001 1.00 30.13 H new ATOM 0 HB2 ALA A 58 -3.071 1.831 1.370 1.00 30.13 H new ATOM 0 HB3 ALA A 58 -3.646 3.464 0.958 1.00 30.13 H new ATOM 932 N CYS A 59 -5.821 3.757 -1.118 1.00 15.04 N ATOM 933 CA CYS A 59 -6.979 4.545 -1.568 1.00 74.41 C ATOM 934 C CYS A 59 -7.830 3.678 -2.507 1.00 35.42 C ATOM 935 O CYS A 59 -9.025 3.479 -2.253 1.00 50.21 O ATOM 936 CB CYS A 59 -6.531 5.851 -2.263 1.00 25.25 C ATOM 937 SG CYS A 59 -7.890 6.934 -2.747 1.00 42.23 S ATOM 0 H CYS A 59 -4.923 4.119 -1.439 1.00 15.04 H new ATOM 0 HA CYS A 59 -7.577 4.837 -0.704 1.00 74.41 H new ATOM 0 HB2 CYS A 59 -5.867 6.397 -1.593 1.00 25.25 H new ATOM 0 HB3 CYS A 59 -5.950 5.597 -3.150 1.00 25.25 H new ATOM 0 HG CYS A 59 -7.787 7.221 -4.011 1.00 42.23 H new ATOM 943 N TYR A 60 -7.161 3.080 -3.526 1.00 64.12 N ATOM 944 CA TYR A 60 -7.808 2.220 -4.540 1.00 54.35 C ATOM 945 C TYR A 60 -8.639 1.088 -3.910 1.00 15.20 C ATOM 946 O TYR A 60 -9.759 0.843 -4.343 1.00 55.20 O ATOM 947 CB TYR A 60 -6.761 1.622 -5.510 1.00 12.13 C ATOM 948 CG TYR A 60 -6.065 2.633 -6.435 1.00 31.12 C ATOM 949 CD1 TYR A 60 -6.735 3.765 -6.925 1.00 22.43 C ATOM 950 CD2 TYR A 60 -4.747 2.435 -6.856 1.00 64.54 C ATOM 951 CE1 TYR A 60 -6.110 4.648 -7.785 1.00 23.42 C ATOM 952 CE2 TYR A 60 -4.125 3.319 -7.711 1.00 55.12 C ATOM 953 CZ TYR A 60 -4.810 4.421 -8.174 1.00 23.23 C ATOM 954 OH TYR A 60 -4.189 5.309 -9.025 1.00 5.45 O ATOM 0 H TYR A 60 -6.156 3.183 -3.664 1.00 64.12 H new ATOM 0 HA TYR A 60 -8.491 2.862 -5.097 1.00 54.35 H new ATOM 0 HB2 TYR A 60 -5.999 1.108 -4.924 1.00 12.13 H new ATOM 0 HB3 TYR A 60 -7.251 0.869 -6.127 1.00 12.13 H new ATOM 0 HD1 TYR A 60 -7.756 3.949 -6.625 1.00 22.43 H new ATOM 0 HD2 TYR A 60 -4.204 1.570 -6.504 1.00 64.54 H new ATOM 0 HE1 TYR A 60 -6.641 5.514 -8.151 1.00 23.42 H new ATOM 0 HE2 TYR A 60 -3.103 3.148 -8.017 1.00 55.12 H new ATOM 0 HH TYR A 60 -3.274 5.007 -9.202 1.00 5.45 H new ATOM 964 N THR A 61 -8.095 0.422 -2.868 1.00 65.04 N ATOM 965 CA THR A 61 -8.821 -0.650 -2.153 1.00 34.11 C ATOM 966 C THR A 61 -10.119 -0.116 -1.504 1.00 44.53 C ATOM 967 O THR A 61 -11.167 -0.777 -1.565 1.00 13.53 O ATOM 968 CB THR A 61 -7.928 -1.348 -1.070 1.00 64.23 C ATOM 969 OG1 THR A 61 -7.374 -0.388 -0.156 1.00 73.33 O ATOM 970 CG2 THR A 61 -6.787 -2.151 -1.708 1.00 33.35 C ATOM 0 H THR A 61 -7.160 0.607 -2.505 1.00 65.04 H new ATOM 0 HA THR A 61 -9.085 -1.396 -2.902 1.00 34.11 H new ATOM 0 HB THR A 61 -8.577 -2.033 -0.524 1.00 64.23 H new ATOM 0 HG1 THR A 61 -7.605 0.517 -0.452 1.00 73.33 H new ATOM 0 HG21 THR A 61 -6.190 -2.620 -0.926 1.00 33.35 H new ATOM 0 HG22 THR A 61 -7.203 -2.921 -2.358 1.00 33.35 H new ATOM 0 HG23 THR A 61 -6.156 -1.483 -2.295 1.00 33.35 H new ATOM 978 N LYS A 62 -10.063 1.126 -0.964 1.00 11.13 N ATOM 979 CA LYS A 62 -11.213 1.739 -0.254 1.00 51.12 C ATOM 980 C LYS A 62 -12.273 2.209 -1.252 1.00 33.54 C ATOM 981 O LYS A 62 -13.457 2.297 -0.924 1.00 25.43 O ATOM 982 CB LYS A 62 -10.742 2.910 0.653 1.00 4.50 C ATOM 983 CG LYS A 62 -9.767 2.482 1.774 1.00 51.12 C ATOM 984 CD LYS A 62 -10.379 1.421 2.714 1.00 20.45 C ATOM 985 CE LYS A 62 -9.374 0.855 3.726 1.00 13.13 C ATOM 986 NZ LYS A 62 -10.008 -0.184 4.581 1.00 44.00 N ATOM 0 H LYS A 62 -9.236 1.722 -1.006 1.00 11.13 H new ATOM 0 HA LYS A 62 -11.664 0.981 0.387 1.00 51.12 H new ATOM 0 HB2 LYS A 62 -10.258 3.665 0.033 1.00 4.50 H new ATOM 0 HB3 LYS A 62 -11.615 3.380 1.105 1.00 4.50 H new ATOM 0 HG2 LYS A 62 -8.856 2.085 1.327 1.00 51.12 H new ATOM 0 HG3 LYS A 62 -9.481 3.358 2.357 1.00 51.12 H new ATOM 0 HD2 LYS A 62 -11.217 1.863 3.253 1.00 20.45 H new ATOM 0 HD3 LYS A 62 -10.781 0.604 2.115 1.00 20.45 H new ATOM 0 HE2 LYS A 62 -8.522 0.427 3.198 1.00 13.13 H new ATOM 0 HE3 LYS A 62 -8.989 1.661 4.351 1.00 13.13 H new ATOM 0 HZ1 LYS A 62 -9.308 -0.551 5.257 1.00 44.00 H new ATOM 0 HZ2 LYS A 62 -10.806 0.234 5.101 1.00 44.00 H new ATOM 0 HZ3 LYS A 62 -10.354 -0.962 3.983 1.00 44.00 H new ATOM 1000 N LEU A 63 -11.819 2.501 -2.480 1.00 24.32 N ATOM 1001 CA LEU A 63 -12.682 2.860 -3.610 1.00 62.44 C ATOM 1002 C LEU A 63 -13.141 1.600 -4.369 1.00 51.34 C ATOM 1003 O LEU A 63 -13.858 1.718 -5.366 1.00 45.41 O ATOM 1004 CB LEU A 63 -11.913 3.838 -4.545 1.00 34.10 C ATOM 1005 CG LEU A 63 -11.361 5.133 -3.857 1.00 13.32 C ATOM 1006 CD1 LEU A 63 -10.589 6.028 -4.852 1.00 1.33 C ATOM 1007 CD2 LEU A 63 -12.483 5.918 -3.141 1.00 24.40 C ATOM 0 H LEU A 63 -10.827 2.494 -2.717 1.00 24.32 H new ATOM 0 HA LEU A 63 -13.579 3.356 -3.241 1.00 62.44 H new ATOM 0 HB2 LEU A 63 -11.077 3.302 -4.995 1.00 34.10 H new ATOM 0 HB3 LEU A 63 -12.576 4.134 -5.358 1.00 34.10 H new ATOM 0 HG LEU A 63 -10.650 4.813 -3.096 1.00 13.32 H new ATOM 0 HD11 LEU A 63 -10.223 6.915 -4.335 1.00 1.33 H new ATOM 0 HD12 LEU A 63 -9.745 5.473 -5.262 1.00 1.33 H new ATOM 0 HD13 LEU A 63 -11.253 6.328 -5.662 1.00 1.33 H new ATOM 0 HD21 LEU A 63 -12.063 6.810 -2.675 1.00 24.40 H new ATOM 0 HD22 LEU A 63 -13.242 6.211 -3.866 1.00 24.40 H new ATOM 0 HD23 LEU A 63 -12.936 5.288 -2.375 1.00 24.40 H new ATOM 1019 N LEU A 64 -12.726 0.393 -3.864 1.00 21.21 N ATOM 1020 CA LEU A 64 -13.084 -0.937 -4.425 1.00 35.21 C ATOM 1021 C LEU A 64 -12.348 -1.243 -5.747 1.00 0.23 C ATOM 1022 O LEU A 64 -12.604 -2.278 -6.370 1.00 71.54 O ATOM 1023 CB LEU A 64 -14.639 -1.140 -4.555 1.00 52.42 C ATOM 1024 CG LEU A 64 -15.435 -1.413 -3.221 1.00 33.01 C ATOM 1025 CD1 LEU A 64 -14.902 -2.667 -2.489 1.00 52.04 C ATOM 1026 CD2 LEU A 64 -15.455 -0.178 -2.283 1.00 2.11 C ATOM 0 H LEU A 64 -12.124 0.326 -3.043 1.00 21.21 H new ATOM 0 HA LEU A 64 -12.734 -1.670 -3.699 1.00 35.21 H new ATOM 0 HB2 LEU A 64 -15.059 -0.251 -5.025 1.00 52.42 H new ATOM 0 HB3 LEU A 64 -14.817 -1.974 -5.234 1.00 52.42 H new ATOM 0 HG LEU A 64 -16.468 -1.609 -3.508 1.00 33.01 H new ATOM 0 HD11 LEU A 64 -15.474 -2.825 -1.574 1.00 52.04 H new ATOM 0 HD12 LEU A 64 -15.006 -3.538 -3.136 1.00 52.04 H new ATOM 0 HD13 LEU A 64 -13.851 -2.523 -2.240 1.00 52.04 H new ATOM 0 HD21 LEU A 64 -16.015 -0.417 -1.379 1.00 2.11 H new ATOM 0 HD22 LEU A 64 -14.433 0.093 -2.016 1.00 2.11 H new ATOM 0 HD23 LEU A 64 -15.931 0.659 -2.794 1.00 2.11 H new ATOM 1038 N GLU A 65 -11.392 -0.374 -6.129 1.00 11.42 N ATOM 1039 CA GLU A 65 -10.517 -0.553 -7.309 1.00 12.05 C ATOM 1040 C GLU A 65 -9.268 -1.387 -6.962 1.00 15.32 C ATOM 1041 O GLU A 65 -8.133 -0.981 -7.254 1.00 41.45 O ATOM 1042 CB GLU A 65 -10.123 0.850 -7.896 1.00 50.05 C ATOM 1043 CG GLU A 65 -11.083 1.395 -8.978 1.00 51.03 C ATOM 1044 CD GLU A 65 -12.549 1.513 -8.517 1.00 60.42 C ATOM 1045 OE1 GLU A 65 -12.923 2.562 -7.957 1.00 52.31 O ATOM 1046 OE2 GLU A 65 -13.337 0.564 -8.728 1.00 74.43 O ATOM 0 H GLU A 65 -11.201 0.488 -5.618 1.00 11.42 H new ATOM 0 HA GLU A 65 -11.067 -1.107 -8.069 1.00 12.05 H new ATOM 0 HB2 GLU A 65 -10.074 1.569 -7.078 1.00 50.05 H new ATOM 0 HB3 GLU A 65 -9.121 0.782 -8.320 1.00 50.05 H new ATOM 0 HG2 GLU A 65 -10.734 2.377 -9.297 1.00 51.03 H new ATOM 0 HG3 GLU A 65 -11.039 0.742 -9.850 1.00 51.03 H new ATOM 1053 N PHE A 66 -9.498 -2.588 -6.391 1.00 40.33 N ATOM 1054 CA PHE A 66 -8.423 -3.550 -6.060 1.00 11.01 C ATOM 1055 C PHE A 66 -7.608 -3.933 -7.311 1.00 42.22 C ATOM 1056 O PHE A 66 -6.431 -4.270 -7.195 1.00 15.24 O ATOM 1057 CB PHE A 66 -8.983 -4.836 -5.406 1.00 71.52 C ATOM 1058 CG PHE A 66 -9.591 -4.664 -4.016 1.00 35.51 C ATOM 1059 CD1 PHE A 66 -10.859 -4.115 -3.850 1.00 12.22 C ATOM 1060 CD2 PHE A 66 -8.898 -5.075 -2.874 1.00 45.32 C ATOM 1061 CE1 PHE A 66 -11.415 -3.981 -2.593 1.00 12.31 C ATOM 1062 CE2 PHE A 66 -9.456 -4.945 -1.617 1.00 3.54 C ATOM 1063 CZ PHE A 66 -10.713 -4.396 -1.477 1.00 12.34 C ATOM 0 H PHE A 66 -10.431 -2.919 -6.147 1.00 40.33 H new ATOM 0 HA PHE A 66 -7.770 -3.049 -5.345 1.00 11.01 H new ATOM 0 HB2 PHE A 66 -9.743 -5.255 -6.065 1.00 71.52 H new ATOM 0 HB3 PHE A 66 -8.178 -5.568 -5.342 1.00 71.52 H new ATOM 0 HD1 PHE A 66 -11.416 -3.789 -4.716 1.00 12.22 H new ATOM 0 HD2 PHE A 66 -7.911 -5.501 -2.976 1.00 45.32 H new ATOM 0 HE1 PHE A 66 -12.400 -3.551 -2.482 1.00 12.31 H new ATOM 0 HE2 PHE A 66 -8.909 -5.273 -0.746 1.00 3.54 H new ATOM 0 HZ PHE A 66 -11.149 -4.290 -0.495 1.00 12.34 H new ATOM 1073 N GLN A 67 -8.255 -3.859 -8.496 1.00 73.44 N ATOM 1074 CA GLN A 67 -7.593 -4.061 -9.797 1.00 34.13 C ATOM 1075 C GLN A 67 -6.415 -3.092 -9.963 1.00 11.34 C ATOM 1076 O GLN A 67 -5.322 -3.491 -10.387 1.00 52.25 O ATOM 1077 CB GLN A 67 -8.592 -3.842 -10.959 1.00 23.00 C ATOM 1078 CG GLN A 67 -9.784 -4.816 -10.987 1.00 32.12 C ATOM 1079 CD GLN A 67 -9.372 -6.283 -11.120 1.00 31.32 C ATOM 1080 OE1 GLN A 67 -9.237 -6.804 -12.224 1.00 1.14 O ATOM 1081 NE2 GLN A 67 -9.207 -6.968 -9.995 1.00 64.03 N ATOM 0 H GLN A 67 -9.252 -3.657 -8.573 1.00 73.44 H new ATOM 0 HA GLN A 67 -7.225 -5.087 -9.824 1.00 34.13 H new ATOM 0 HB2 GLN A 67 -8.976 -2.824 -10.900 1.00 23.00 H new ATOM 0 HB3 GLN A 67 -8.052 -3.925 -11.902 1.00 23.00 H new ATOM 0 HG2 GLN A 67 -10.366 -4.692 -10.074 1.00 32.12 H new ATOM 0 HG3 GLN A 67 -10.437 -4.554 -11.819 1.00 32.12 H new ATOM 0 HE21 GLN A 67 -9.327 -6.505 -9.094 1.00 64.03 H new ATOM 0 HE22 GLN A 67 -8.961 -7.957 -10.032 1.00 64.03 H new ATOM 1090 N LEU A 68 -6.645 -1.819 -9.589 1.00 74.52 N ATOM 1091 CA LEU A 68 -5.626 -0.773 -9.706 1.00 44.34 C ATOM 1092 C LEU A 68 -4.597 -0.936 -8.589 1.00 12.53 C ATOM 1093 O LEU A 68 -3.415 -0.751 -8.817 1.00 33.25 O ATOM 1094 CB LEU A 68 -6.254 0.649 -9.654 1.00 1.43 C ATOM 1095 CG LEU A 68 -7.353 0.979 -10.713 1.00 51.34 C ATOM 1096 CD1 LEU A 68 -7.679 2.492 -10.693 1.00 64.01 C ATOM 1097 CD2 LEU A 68 -6.961 0.496 -12.125 1.00 11.13 C ATOM 0 H LEU A 68 -7.532 -1.495 -9.203 1.00 74.52 H new ATOM 0 HA LEU A 68 -5.138 -0.880 -10.675 1.00 44.34 H new ATOM 0 HB2 LEU A 68 -6.685 0.793 -8.663 1.00 1.43 H new ATOM 0 HB3 LEU A 68 -5.451 1.378 -9.761 1.00 1.43 H new ATOM 0 HG LEU A 68 -8.256 0.432 -10.442 1.00 51.34 H new ATOM 0 HD11 LEU A 68 -8.447 2.709 -11.436 1.00 64.01 H new ATOM 0 HD12 LEU A 68 -8.041 2.773 -9.704 1.00 64.01 H new ATOM 0 HD13 LEU A 68 -6.779 3.061 -10.925 1.00 64.01 H new ATOM 0 HD21 LEU A 68 -7.755 0.747 -12.829 1.00 11.13 H new ATOM 0 HD22 LEU A 68 -6.036 0.984 -12.433 1.00 11.13 H new ATOM 0 HD23 LEU A 68 -6.815 -0.584 -12.113 1.00 11.13 H new ATOM 1109 N ALA A 69 -5.084 -1.328 -7.398 1.00 53.51 N ATOM 1110 CA ALA A 69 -4.262 -1.488 -6.187 1.00 21.45 C ATOM 1111 C ALA A 69 -3.178 -2.567 -6.355 1.00 53.12 C ATOM 1112 O ALA A 69 -2.060 -2.405 -5.847 1.00 20.30 O ATOM 1113 CB ALA A 69 -5.150 -1.814 -4.984 1.00 11.01 C ATOM 0 H ALA A 69 -6.069 -1.545 -7.249 1.00 53.51 H new ATOM 0 HA ALA A 69 -3.751 -0.540 -6.016 1.00 21.45 H new ATOM 0 HB1 ALA A 69 -4.530 -1.930 -4.095 1.00 11.01 H new ATOM 0 HB2 ALA A 69 -5.862 -1.004 -4.827 1.00 11.01 H new ATOM 0 HB3 ALA A 69 -5.691 -2.741 -5.172 1.00 11.01 H new ATOM 1119 N LEU A 70 -3.530 -3.675 -7.055 1.00 13.33 N ATOM 1120 CA LEU A 70 -2.568 -4.741 -7.394 1.00 51.40 C ATOM 1121 C LEU A 70 -1.425 -4.159 -8.250 1.00 51.54 C ATOM 1122 O LEU A 70 -0.296 -4.002 -7.781 1.00 44.52 O ATOM 1123 CB LEU A 70 -3.264 -5.898 -8.174 1.00 71.13 C ATOM 1124 CG LEU A 70 -4.358 -6.712 -7.412 1.00 60.23 C ATOM 1125 CD1 LEU A 70 -5.068 -7.692 -8.372 1.00 71.45 C ATOM 1126 CD2 LEU A 70 -3.776 -7.453 -6.190 1.00 45.22 C ATOM 0 H LEU A 70 -4.476 -3.849 -7.394 1.00 13.33 H new ATOM 0 HA LEU A 70 -2.166 -5.144 -6.465 1.00 51.40 H new ATOM 0 HB2 LEU A 70 -3.719 -5.476 -9.070 1.00 71.13 H new ATOM 0 HB3 LEU A 70 -2.494 -6.594 -8.505 1.00 71.13 H new ATOM 0 HG LEU A 70 -5.095 -6.004 -7.033 1.00 60.23 H new ATOM 0 HD11 LEU A 70 -5.827 -8.251 -7.825 1.00 71.45 H new ATOM 0 HD12 LEU A 70 -5.541 -7.132 -9.179 1.00 71.45 H new ATOM 0 HD13 LEU A 70 -4.338 -8.385 -8.790 1.00 71.45 H new ATOM 0 HD21 LEU A 70 -4.570 -8.007 -5.688 1.00 45.22 H new ATOM 0 HD22 LEU A 70 -3.002 -8.146 -6.520 1.00 45.22 H new ATOM 0 HD23 LEU A 70 -3.344 -6.730 -5.498 1.00 45.22 H new ATOM 1138 N LYS A 71 -1.781 -3.736 -9.471 1.00 61.24 N ATOM 1139 CA LYS A 71 -0.806 -3.321 -10.497 1.00 32.42 C ATOM 1140 C LYS A 71 -0.054 -2.037 -10.120 1.00 11.51 C ATOM 1141 O LYS A 71 1.046 -1.806 -10.636 1.00 33.13 O ATOM 1142 CB LYS A 71 -1.504 -3.158 -11.862 1.00 74.45 C ATOM 1143 CG LYS A 71 -2.653 -2.122 -11.888 1.00 2.22 C ATOM 1144 CD LYS A 71 -3.287 -1.978 -13.292 1.00 61.33 C ATOM 1145 CE LYS A 71 -3.855 -3.305 -13.829 1.00 30.23 C ATOM 1146 NZ LYS A 71 -4.277 -3.189 -15.252 1.00 74.53 N ATOM 0 H LYS A 71 -2.752 -3.671 -9.778 1.00 61.24 H new ATOM 0 HA LYS A 71 -0.059 -4.112 -10.564 1.00 32.42 H new ATOM 0 HB2 LYS A 71 -0.758 -2.870 -12.603 1.00 74.45 H new ATOM 0 HB3 LYS A 71 -1.900 -4.126 -12.169 1.00 74.45 H new ATOM 0 HG2 LYS A 71 -3.422 -2.418 -11.174 1.00 2.22 H new ATOM 0 HG3 LYS A 71 -2.273 -1.154 -11.563 1.00 2.22 H new ATOM 0 HD2 LYS A 71 -4.085 -1.237 -13.251 1.00 61.33 H new ATOM 0 HD3 LYS A 71 -2.537 -1.601 -13.987 1.00 61.33 H new ATOM 0 HE2 LYS A 71 -3.102 -4.087 -13.736 1.00 30.23 H new ATOM 0 HE3 LYS A 71 -4.707 -3.609 -13.221 1.00 30.23 H new ATOM 0 HZ1 LYS A 71 -4.654 -4.102 -15.578 1.00 74.53 H new ATOM 0 HZ2 LYS A 71 -5.014 -2.460 -15.337 1.00 74.53 H new ATOM 0 HZ3 LYS A 71 -3.459 -2.924 -15.836 1.00 74.53 H new ATOM 1160 N ASP A 72 -0.649 -1.222 -9.225 1.00 13.13 N ATOM 1161 CA ASP A 72 -0.012 -0.005 -8.696 1.00 52.22 C ATOM 1162 C ASP A 72 1.267 -0.400 -7.953 1.00 1.13 C ATOM 1163 O ASP A 72 2.362 -0.043 -8.367 1.00 12.31 O ATOM 1164 CB ASP A 72 -0.973 0.774 -7.749 1.00 44.02 C ATOM 1165 CG ASP A 72 -0.414 2.139 -7.302 1.00 13.44 C ATOM 1166 OD1 ASP A 72 -0.588 3.132 -8.044 1.00 24.20 O ATOM 1167 OD2 ASP A 72 0.218 2.219 -6.235 1.00 74.33 O ATOM 0 H ASP A 72 -1.583 -1.391 -8.851 1.00 13.13 H new ATOM 0 HA ASP A 72 0.231 0.657 -9.527 1.00 52.22 H new ATOM 0 HB2 ASP A 72 -1.926 0.928 -8.256 1.00 44.02 H new ATOM 0 HB3 ASP A 72 -1.175 0.166 -6.867 1.00 44.02 H new ATOM 1172 N CYS A 73 1.109 -1.222 -6.904 1.00 72.02 N ATOM 1173 CA CYS A 73 2.235 -1.689 -6.081 1.00 75.23 C ATOM 1174 C CYS A 73 3.183 -2.610 -6.892 1.00 2.24 C ATOM 1175 O CYS A 73 4.399 -2.615 -6.658 1.00 61.25 O ATOM 1176 CB CYS A 73 1.709 -2.411 -4.822 1.00 32.12 C ATOM 1177 SG CYS A 73 0.800 -3.935 -5.147 1.00 74.44 S ATOM 0 H CYS A 73 0.202 -1.580 -6.604 1.00 72.02 H new ATOM 0 HA CYS A 73 2.813 -0.819 -5.769 1.00 75.23 H new ATOM 0 HB2 CYS A 73 2.554 -2.640 -4.172 1.00 32.12 H new ATOM 0 HB3 CYS A 73 1.061 -1.728 -4.273 1.00 32.12 H new ATOM 0 HG CYS A 73 0.507 -4.004 -6.412 1.00 74.44 H new ATOM 1183 N GLU A 74 2.618 -3.351 -7.877 1.00 12.42 N ATOM 1184 CA GLU A 74 3.394 -4.275 -8.737 1.00 45.31 C ATOM 1185 C GLU A 74 4.337 -3.537 -9.705 1.00 14.42 C ATOM 1186 O GLU A 74 5.347 -4.106 -10.107 1.00 42.43 O ATOM 1187 CB GLU A 74 2.461 -5.230 -9.527 1.00 44.33 C ATOM 1188 CG GLU A 74 1.668 -6.210 -8.635 1.00 15.45 C ATOM 1189 CD GLU A 74 0.798 -7.206 -9.418 1.00 74.43 C ATOM 1190 OE1 GLU A 74 -0.048 -6.763 -10.219 1.00 3.34 O ATOM 1191 OE2 GLU A 74 0.948 -8.433 -9.230 1.00 35.11 O ATOM 0 H GLU A 74 1.622 -3.325 -8.095 1.00 12.42 H new ATOM 0 HA GLU A 74 4.015 -4.865 -8.062 1.00 45.31 H new ATOM 0 HB2 GLU A 74 1.758 -4.635 -10.110 1.00 44.33 H new ATOM 0 HB3 GLU A 74 3.059 -5.802 -10.236 1.00 44.33 H new ATOM 0 HG2 GLU A 74 2.369 -6.767 -8.013 1.00 15.45 H new ATOM 0 HG3 GLU A 74 1.030 -5.637 -7.962 1.00 15.45 H new ATOM 1198 N GLU A 75 4.002 -2.305 -10.120 1.00 32.34 N ATOM 1199 CA GLU A 75 4.937 -1.481 -10.927 1.00 72.25 C ATOM 1200 C GLU A 75 5.858 -0.664 -10.003 1.00 14.12 C ATOM 1201 O GLU A 75 7.041 -0.484 -10.294 1.00 31.33 O ATOM 1202 CB GLU A 75 4.183 -0.575 -11.941 1.00 14.23 C ATOM 1203 CG GLU A 75 3.318 0.549 -11.331 1.00 2.21 C ATOM 1204 CD GLU A 75 2.582 1.385 -12.391 1.00 14.15 C ATOM 1205 OE1 GLU A 75 3.244 2.189 -13.076 1.00 54.22 O ATOM 1206 OE2 GLU A 75 1.348 1.239 -12.549 1.00 74.53 O ATOM 0 H GLU A 75 3.108 -1.857 -9.918 1.00 32.34 H new ATOM 0 HA GLU A 75 5.558 -2.153 -11.519 1.00 72.25 H new ATOM 0 HB2 GLU A 75 4.916 -0.121 -12.607 1.00 14.23 H new ATOM 0 HB3 GLU A 75 3.542 -1.207 -12.556 1.00 14.23 H new ATOM 0 HG2 GLU A 75 2.588 0.109 -10.652 1.00 2.21 H new ATOM 0 HG3 GLU A 75 3.953 1.205 -10.735 1.00 2.21 H new ATOM 1213 N CYS A 76 5.314 -0.236 -8.858 1.00 33.21 N ATOM 1214 CA CYS A 76 6.028 0.603 -7.876 1.00 4.33 C ATOM 1215 C CYS A 76 7.188 -0.136 -7.191 1.00 42.54 C ATOM 1216 O CYS A 76 8.118 0.505 -6.687 1.00 12.13 O ATOM 1217 CB CYS A 76 5.043 1.178 -6.861 1.00 3.21 C ATOM 1218 SG CYS A 76 3.783 2.175 -7.657 1.00 61.00 S ATOM 0 H CYS A 76 4.359 -0.461 -8.580 1.00 33.21 H new ATOM 0 HA CYS A 76 6.486 1.428 -8.422 1.00 4.33 H new ATOM 0 HB2 CYS A 76 4.570 0.365 -6.311 1.00 3.21 H new ATOM 0 HB3 CYS A 76 5.582 1.785 -6.133 1.00 3.21 H new ATOM 0 HG CYS A 76 3.753 3.354 -7.111 1.00 61.00 H new ATOM 1224 N ILE A 77 7.133 -1.484 -7.194 1.00 41.21 N ATOM 1225 CA ILE A 77 8.241 -2.339 -6.721 1.00 73.03 C ATOM 1226 C ILE A 77 9.520 -2.075 -7.565 1.00 41.33 C ATOM 1227 O ILE A 77 10.634 -2.137 -7.046 1.00 10.01 O ATOM 1228 CB ILE A 77 7.810 -3.869 -6.750 1.00 2.52 C ATOM 1229 CG1 ILE A 77 8.708 -4.791 -5.836 1.00 1.14 C ATOM 1230 CG2 ILE A 77 7.761 -4.420 -8.195 1.00 62.13 C ATOM 1231 CD1 ILE A 77 10.033 -5.254 -6.428 1.00 54.52 C ATOM 0 H ILE A 77 6.322 -2.009 -7.523 1.00 41.21 H new ATOM 0 HA ILE A 77 8.474 -2.088 -5.686 1.00 73.03 H new ATOM 0 HB ILE A 77 6.804 -3.897 -6.331 1.00 2.52 H new ATOM 0 HG12 ILE A 77 8.917 -4.254 -4.911 1.00 1.14 H new ATOM 0 HG13 ILE A 77 8.128 -5.674 -5.568 1.00 1.14 H new ATOM 0 HG21 ILE A 77 7.463 -5.468 -8.175 1.00 62.13 H new ATOM 0 HG22 ILE A 77 7.039 -3.848 -8.778 1.00 62.13 H new ATOM 0 HG23 ILE A 77 8.747 -4.332 -8.652 1.00 62.13 H new ATOM 0 HD11 ILE A 77 10.556 -5.879 -5.704 1.00 54.52 H new ATOM 0 HD12 ILE A 77 9.845 -5.828 -7.335 1.00 54.52 H new ATOM 0 HD13 ILE A 77 10.647 -4.386 -6.668 1.00 54.52 H new ATOM 1243 N GLN A 78 9.323 -1.717 -8.860 1.00 32.41 N ATOM 1244 CA GLN A 78 10.421 -1.445 -9.811 1.00 64.24 C ATOM 1245 C GLN A 78 11.072 -0.076 -9.536 1.00 70.31 C ATOM 1246 O GLN A 78 12.202 0.174 -9.966 1.00 32.35 O ATOM 1247 CB GLN A 78 9.886 -1.518 -11.270 1.00 55.31 C ATOM 1248 CG GLN A 78 9.252 -2.876 -11.644 1.00 54.43 C ATOM 1249 CD GLN A 78 10.229 -4.055 -11.588 1.00 43.11 C ATOM 1250 OE1 GLN A 78 11.424 -3.907 -11.831 1.00 73.02 O ATOM 1251 NE2 GLN A 78 9.727 -5.235 -11.271 1.00 14.12 N ATOM 0 H GLN A 78 8.395 -1.610 -9.270 1.00 32.41 H new ATOM 0 HA GLN A 78 11.190 -2.206 -9.677 1.00 64.24 H new ATOM 0 HB2 GLN A 78 9.145 -0.732 -11.413 1.00 55.31 H new ATOM 0 HB3 GLN A 78 10.707 -1.311 -11.957 1.00 55.31 H new ATOM 0 HG2 GLN A 78 8.419 -3.075 -10.969 1.00 54.43 H new ATOM 0 HG3 GLN A 78 8.838 -2.808 -12.650 1.00 54.43 H new ATOM 0 HE21 GLN A 78 8.731 -5.329 -11.074 1.00 14.12 H new ATOM 0 HE22 GLN A 78 10.336 -6.052 -11.223 1.00 14.12 H new ATOM 1260 N LEU A 79 10.334 0.798 -8.834 1.00 72.31 N ATOM 1261 CA LEU A 79 10.827 2.121 -8.408 1.00 51.31 C ATOM 1262 C LEU A 79 11.591 1.980 -7.088 1.00 12.33 C ATOM 1263 O LEU A 79 12.725 2.433 -6.944 1.00 53.43 O ATOM 1264 CB LEU A 79 9.636 3.097 -8.207 1.00 74.33 C ATOM 1265 CG LEU A 79 8.612 3.186 -9.376 1.00 71.22 C ATOM 1266 CD1 LEU A 79 7.442 4.121 -9.005 1.00 3.53 C ATOM 1267 CD2 LEU A 79 9.297 3.609 -10.694 1.00 64.13 C ATOM 0 H LEU A 79 9.375 0.608 -8.544 1.00 72.31 H new ATOM 0 HA LEU A 79 11.488 2.517 -9.179 1.00 51.31 H new ATOM 0 HB2 LEU A 79 9.100 2.802 -7.305 1.00 74.33 H new ATOM 0 HB3 LEU A 79 10.038 4.094 -8.027 1.00 74.33 H new ATOM 0 HG LEU A 79 8.197 2.192 -9.543 1.00 71.22 H new ATOM 0 HD11 LEU A 79 6.738 4.169 -9.835 1.00 3.53 H new ATOM 0 HD12 LEU A 79 6.935 3.736 -8.121 1.00 3.53 H new ATOM 0 HD13 LEU A 79 7.826 5.119 -8.796 1.00 3.53 H new ATOM 0 HD21 LEU A 79 8.554 3.661 -11.490 1.00 64.13 H new ATOM 0 HD22 LEU A 79 9.761 4.587 -10.565 1.00 64.13 H new ATOM 0 HD23 LEU A 79 10.061 2.877 -10.958 1.00 64.13 H new ATOM 1279 N GLU A 80 10.920 1.336 -6.137 1.00 30.22 N ATOM 1280 CA GLU A 80 11.359 1.218 -4.750 1.00 14.13 C ATOM 1281 C GLU A 80 10.781 -0.080 -4.165 1.00 34.52 C ATOM 1282 O GLU A 80 9.585 -0.147 -3.930 1.00 31.33 O ATOM 1283 CB GLU A 80 10.882 2.455 -3.956 1.00 35.21 C ATOM 1284 CG GLU A 80 11.162 2.426 -2.444 1.00 20.54 C ATOM 1285 CD GLU A 80 10.695 3.712 -1.749 1.00 24.34 C ATOM 1286 OE1 GLU A 80 11.468 4.694 -1.734 1.00 72.00 O ATOM 1287 OE2 GLU A 80 9.547 3.762 -1.249 1.00 30.44 O ATOM 0 H GLU A 80 10.031 0.869 -6.315 1.00 30.22 H new ATOM 0 HA GLU A 80 12.447 1.178 -4.688 1.00 14.13 H new ATOM 0 HB2 GLU A 80 11.358 3.340 -4.378 1.00 35.21 H new ATOM 0 HB3 GLU A 80 9.808 2.568 -4.106 1.00 35.21 H new ATOM 0 HG2 GLU A 80 10.657 1.569 -1.998 1.00 20.54 H new ATOM 0 HG3 GLU A 80 12.230 2.290 -2.275 1.00 20.54 H new ATOM 1294 N PRO A 81 11.602 -1.158 -3.980 1.00 44.05 N ATOM 1295 CA PRO A 81 11.122 -2.446 -3.421 1.00 74.33 C ATOM 1296 C PRO A 81 11.045 -2.468 -1.871 1.00 31.23 C ATOM 1297 O PRO A 81 10.747 -3.514 -1.282 1.00 72.52 O ATOM 1298 CB PRO A 81 12.185 -3.436 -3.950 1.00 34.11 C ATOM 1299 CG PRO A 81 13.456 -2.640 -3.988 1.00 1.42 C ATOM 1300 CD PRO A 81 13.054 -1.211 -4.312 1.00 23.25 C ATOM 0 HA PRO A 81 10.098 -2.673 -3.719 1.00 74.33 H new ATOM 0 HB2 PRO A 81 12.279 -4.303 -3.296 1.00 34.11 H new ATOM 0 HB3 PRO A 81 11.921 -3.810 -4.939 1.00 34.11 H new ATOM 0 HG2 PRO A 81 13.975 -2.690 -3.031 1.00 1.42 H new ATOM 0 HG3 PRO A 81 14.138 -3.033 -4.742 1.00 1.42 H new ATOM 0 HD2 PRO A 81 13.624 -0.493 -3.723 1.00 23.25 H new ATOM 0 HD3 PRO A 81 13.232 -0.975 -5.361 1.00 23.25 H new ATOM 1308 N THR A 82 11.305 -1.316 -1.219 1.00 15.11 N ATOM 1309 CA THR A 82 11.368 -1.220 0.254 1.00 44.31 C ATOM 1310 C THR A 82 10.077 -0.635 0.861 1.00 74.25 C ATOM 1311 O THR A 82 10.069 -0.270 2.038 1.00 54.01 O ATOM 1312 CB THR A 82 12.588 -0.338 0.686 1.00 34.22 C ATOM 1313 OG1 THR A 82 12.451 0.979 0.129 1.00 63.15 O ATOM 1314 CG2 THR A 82 13.930 -0.942 0.235 1.00 44.33 C ATOM 0 H THR A 82 11.476 -0.431 -1.696 1.00 15.11 H new ATOM 0 HA THR A 82 11.485 -2.235 0.633 1.00 44.31 H new ATOM 0 HB THR A 82 12.591 -0.294 1.775 1.00 34.22 H new ATOM 0 HG1 THR A 82 13.214 1.530 0.401 1.00 63.15 H new ATOM 0 HG21 THR A 82 14.746 -0.296 0.557 1.00 44.33 H new ATOM 0 HG22 THR A 82 14.052 -1.930 0.679 1.00 44.33 H new ATOM 0 HG23 THR A 82 13.943 -1.029 -0.851 1.00 44.33 H new ATOM 1322 N PHE A 83 8.992 -0.547 0.072 1.00 71.32 N ATOM 1323 CA PHE A 83 7.714 0.028 0.542 1.00 34.41 C ATOM 1324 C PHE A 83 6.892 -1.045 1.305 1.00 12.33 C ATOM 1325 O PHE A 83 6.079 -1.779 0.755 1.00 25.43 O ATOM 1326 CB PHE A 83 6.943 0.666 -0.641 1.00 11.33 C ATOM 1327 CG PHE A 83 6.359 -0.314 -1.660 1.00 42.23 C ATOM 1328 CD1 PHE A 83 7.166 -1.058 -2.512 1.00 71.32 C ATOM 1329 CD2 PHE A 83 4.991 -0.479 -1.749 1.00 12.23 C ATOM 1330 CE1 PHE A 83 6.620 -1.933 -3.431 1.00 45.23 C ATOM 1331 CE2 PHE A 83 4.437 -1.354 -2.660 1.00 42.44 C ATOM 1332 CZ PHE A 83 5.251 -2.078 -3.505 1.00 35.13 C ATOM 0 H PHE A 83 8.972 -0.867 -0.896 1.00 71.32 H new ATOM 0 HA PHE A 83 7.909 0.832 1.251 1.00 34.41 H new ATOM 0 HB2 PHE A 83 6.130 1.269 -0.237 1.00 11.33 H new ATOM 0 HB3 PHE A 83 7.615 1.347 -1.163 1.00 11.33 H new ATOM 0 HD1 PHE A 83 8.239 -0.950 -2.455 1.00 71.32 H new ATOM 0 HD2 PHE A 83 4.344 0.086 -1.095 1.00 12.23 H new ATOM 0 HE1 PHE A 83 7.262 -2.501 -4.088 1.00 45.23 H new ATOM 0 HE2 PHE A 83 3.365 -1.472 -2.711 1.00 42.44 H new ATOM 0 HZ PHE A 83 4.817 -2.757 -4.224 1.00 35.13 H new ATOM 1342 N ILE A 84 7.106 -1.092 2.600 1.00 13.13 N ATOM 1343 CA ILE A 84 6.763 -2.257 3.440 1.00 22.22 C ATOM 1344 C ILE A 84 5.245 -2.410 3.627 1.00 72.34 C ATOM 1345 O ILE A 84 4.703 -3.527 3.580 1.00 73.15 O ATOM 1346 CB ILE A 84 7.476 -2.142 4.835 1.00 43.05 C ATOM 1347 CG1 ILE A 84 9.008 -1.930 4.639 1.00 42.53 C ATOM 1348 CG2 ILE A 84 7.191 -3.376 5.710 1.00 40.50 C ATOM 1349 CD1 ILE A 84 9.784 -1.748 5.919 1.00 12.14 C ATOM 0 H ILE A 84 7.527 -0.323 3.122 1.00 13.13 H new ATOM 0 HA ILE A 84 7.116 -3.150 2.924 1.00 22.22 H new ATOM 0 HB ILE A 84 7.073 -1.275 5.358 1.00 43.05 H new ATOM 0 HG12 ILE A 84 9.414 -2.787 4.102 1.00 42.53 H new ATOM 0 HG13 ILE A 84 9.163 -1.055 4.008 1.00 42.53 H new ATOM 0 HG21 ILE A 84 7.698 -3.267 6.669 1.00 40.50 H new ATOM 0 HG22 ILE A 84 6.117 -3.465 5.875 1.00 40.50 H new ATOM 0 HG23 ILE A 84 7.556 -4.271 5.206 1.00 40.50 H new ATOM 0 HD11 ILE A 84 10.840 -1.607 5.688 1.00 12.14 H new ATOM 0 HD12 ILE A 84 9.409 -0.873 6.450 1.00 12.14 H new ATOM 0 HD13 ILE A 84 9.665 -2.632 6.546 1.00 12.14 H new ATOM 1361 N LYS A 85 4.569 -1.274 3.791 1.00 21.42 N ATOM 1362 CA LYS A 85 3.122 -1.238 4.062 1.00 64.41 C ATOM 1363 C LYS A 85 2.340 -1.572 2.790 1.00 44.31 C ATOM 1364 O LYS A 85 1.253 -2.134 2.874 1.00 55.11 O ATOM 1365 CB LYS A 85 2.701 0.144 4.631 1.00 75.10 C ATOM 1366 CG LYS A 85 3.112 0.389 6.105 1.00 71.32 C ATOM 1367 CD LYS A 85 4.639 0.409 6.336 1.00 32.30 C ATOM 1368 CE LYS A 85 5.001 0.596 7.813 1.00 34.41 C ATOM 1369 NZ LYS A 85 4.548 -0.547 8.647 1.00 45.21 N ATOM 0 H LYS A 85 5.002 -0.352 3.741 1.00 21.42 H new ATOM 0 HA LYS A 85 2.889 -1.990 4.816 1.00 64.41 H new ATOM 0 HB2 LYS A 85 3.139 0.926 4.011 1.00 75.10 H new ATOM 0 HB3 LYS A 85 1.618 0.241 4.549 1.00 75.10 H new ATOM 0 HG2 LYS A 85 2.692 1.339 6.435 1.00 71.32 H new ATOM 0 HG3 LYS A 85 2.671 -0.388 6.729 1.00 71.32 H new ATOM 0 HD2 LYS A 85 5.071 -0.524 5.973 1.00 32.30 H new ATOM 0 HD3 LYS A 85 5.082 1.215 5.751 1.00 32.30 H new ATOM 0 HE2 LYS A 85 6.081 0.710 7.910 1.00 34.41 H new ATOM 0 HE3 LYS A 85 4.549 1.516 8.183 1.00 34.41 H new ATOM 0 HZ1 LYS A 85 4.942 -0.456 9.605 1.00 45.21 H new ATOM 0 HZ2 LYS A 85 3.509 -0.549 8.699 1.00 45.21 H new ATOM 0 HZ3 LYS A 85 4.875 -1.438 8.222 1.00 45.21 H new ATOM 1383 N GLY A 86 2.947 -1.271 1.621 1.00 42.22 N ATOM 1384 CA GLY A 86 2.352 -1.585 0.324 1.00 44.22 C ATOM 1385 C GLY A 86 2.278 -3.073 0.051 1.00 43.32 C ATOM 1386 O GLY A 86 1.416 -3.524 -0.699 1.00 42.45 O ATOM 0 H GLY A 86 3.854 -0.808 1.560 1.00 42.22 H new ATOM 0 HA2 GLY A 86 1.348 -1.163 0.279 1.00 44.22 H new ATOM 0 HA3 GLY A 86 2.935 -1.106 -0.462 1.00 44.22 H new ATOM 1390 N TYR A 87 3.193 -3.835 0.674 1.00 4.14 N ATOM 1391 CA TYR A 87 3.136 -5.306 0.677 1.00 54.21 C ATOM 1392 C TYR A 87 1.939 -5.805 1.514 1.00 21.30 C ATOM 1393 O TYR A 87 1.265 -6.755 1.120 1.00 13.03 O ATOM 1394 CB TYR A 87 4.468 -5.917 1.183 1.00 32.44 C ATOM 1395 CG TYR A 87 5.617 -5.763 0.178 1.00 52.50 C ATOM 1396 CD1 TYR A 87 5.821 -6.703 -0.841 1.00 34.31 C ATOM 1397 CD2 TYR A 87 6.475 -4.672 0.223 1.00 4.23 C ATOM 1398 CE1 TYR A 87 6.842 -6.552 -1.760 1.00 15.54 C ATOM 1399 CE2 TYR A 87 7.491 -4.512 -0.696 1.00 45.42 C ATOM 1400 CZ TYR A 87 7.674 -5.451 -1.682 1.00 14.41 C ATOM 1401 OH TYR A 87 8.692 -5.289 -2.592 1.00 42.21 O ATOM 0 H TYR A 87 3.987 -3.452 1.186 1.00 4.14 H new ATOM 0 HA TYR A 87 2.991 -5.640 -0.350 1.00 54.21 H new ATOM 0 HB2 TYR A 87 4.747 -5.439 2.122 1.00 32.44 H new ATOM 0 HB3 TYR A 87 4.318 -6.975 1.396 1.00 32.44 H new ATOM 0 HD1 TYR A 87 5.169 -7.561 -0.909 1.00 34.31 H new ATOM 0 HD2 TYR A 87 6.343 -3.930 0.997 1.00 4.23 H new ATOM 0 HE1 TYR A 87 6.989 -7.290 -2.535 1.00 15.54 H new ATOM 0 HE2 TYR A 87 8.141 -3.651 -0.641 1.00 45.42 H new ATOM 0 HH TYR A 87 9.379 -4.702 -2.213 1.00 42.21 H new ATOM 1411 N THR A 88 1.666 -5.141 2.648 1.00 70.22 N ATOM 1412 CA THR A 88 0.494 -5.453 3.494 1.00 4.04 C ATOM 1413 C THR A 88 -0.826 -5.104 2.753 1.00 45.33 C ATOM 1414 O THR A 88 -1.842 -5.795 2.923 1.00 2.03 O ATOM 1415 CB THR A 88 0.587 -4.706 4.867 1.00 4.22 C ATOM 1416 OG1 THR A 88 1.862 -4.999 5.465 1.00 35.33 O ATOM 1417 CG2 THR A 88 -0.537 -5.113 5.851 1.00 53.21 C ATOM 0 H THR A 88 2.243 -4.379 3.005 1.00 70.22 H new ATOM 0 HA THR A 88 0.491 -6.524 3.696 1.00 4.04 H new ATOM 0 HB THR A 88 0.473 -3.640 4.670 1.00 4.22 H new ATOM 0 HG1 THR A 88 2.077 -4.312 6.130 1.00 35.33 H new ATOM 0 HG21 THR A 88 -0.420 -4.563 6.785 1.00 53.21 H new ATOM 0 HG22 THR A 88 -1.507 -4.880 5.412 1.00 53.21 H new ATOM 0 HG23 THR A 88 -0.476 -6.183 6.050 1.00 53.21 H new ATOM 1425 N ARG A 89 -0.785 -4.047 1.902 1.00 3.32 N ATOM 1426 CA ARG A 89 -1.932 -3.650 1.038 1.00 62.05 C ATOM 1427 C ARG A 89 -2.138 -4.696 -0.072 1.00 61.14 C ATOM 1428 O ARG A 89 -3.276 -5.035 -0.415 1.00 72.03 O ATOM 1429 CB ARG A 89 -1.714 -2.240 0.392 1.00 65.03 C ATOM 1430 CG ARG A 89 -1.306 -1.129 1.379 1.00 55.41 C ATOM 1431 CD ARG A 89 -2.316 -0.898 2.533 1.00 12.01 C ATOM 1432 NE ARG A 89 -1.668 -0.331 3.734 1.00 73.13 N ATOM 1433 CZ ARG A 89 -1.174 0.910 3.867 1.00 52.11 C ATOM 1434 NH1 ARG A 89 -1.219 1.789 2.875 1.00 2.40 N ATOM 1435 NH2 ARG A 89 -0.609 1.260 5.010 1.00 43.15 N ATOM 0 H ARG A 89 0.035 -3.450 1.794 1.00 3.32 H new ATOM 0 HA ARG A 89 -2.818 -3.598 1.671 1.00 62.05 H new ATOM 0 HB2 ARG A 89 -0.945 -2.324 -0.376 1.00 65.03 H new ATOM 0 HB3 ARG A 89 -2.634 -1.940 -0.109 1.00 65.03 H new ATOM 0 HG2 ARG A 89 -0.335 -1.378 1.806 1.00 55.41 H new ATOM 0 HG3 ARG A 89 -1.183 -0.197 0.828 1.00 55.41 H new ATOM 0 HD2 ARG A 89 -3.104 -0.225 2.195 1.00 12.01 H new ATOM 0 HD3 ARG A 89 -2.793 -1.843 2.791 1.00 12.01 H new ATOM 0 HE ARG A 89 -1.588 -0.945 4.544 1.00 73.13 H new ATOM 0 HH11 ARG A 89 -1.637 1.529 1.982 1.00 2.40 H new ATOM 0 HH12 ARG A 89 -0.835 2.725 3.005 1.00 2.40 H new ATOM 0 HH21 ARG A 89 -0.553 0.590 5.777 1.00 43.15 H new ATOM 0 HH22 ARG A 89 -0.230 2.200 5.125 1.00 43.15 H new ATOM 1449 N LYS A 90 -1.006 -5.190 -0.616 1.00 74.43 N ATOM 1450 CA LYS A 90 -0.978 -6.221 -1.662 1.00 65.40 C ATOM 1451 C LYS A 90 -1.525 -7.550 -1.123 1.00 52.34 C ATOM 1452 O LYS A 90 -2.268 -8.232 -1.811 1.00 42.35 O ATOM 1453 CB LYS A 90 0.475 -6.409 -2.200 1.00 62.10 C ATOM 1454 CG LYS A 90 0.617 -7.458 -3.332 1.00 52.20 C ATOM 1455 CD LYS A 90 -0.217 -7.100 -4.583 1.00 32.34 C ATOM 1456 CE LYS A 90 -0.083 -8.136 -5.702 1.00 0.34 C ATOM 1457 NZ LYS A 90 1.327 -8.328 -6.127 1.00 71.13 N ATOM 0 H LYS A 90 -0.077 -4.877 -0.334 1.00 74.43 H new ATOM 0 HA LYS A 90 -1.614 -5.895 -2.485 1.00 65.40 H new ATOM 0 HB2 LYS A 90 0.839 -5.449 -2.565 1.00 62.10 H new ATOM 0 HB3 LYS A 90 1.120 -6.700 -1.371 1.00 62.10 H new ATOM 0 HG2 LYS A 90 1.667 -7.544 -3.612 1.00 52.20 H new ATOM 0 HG3 LYS A 90 0.305 -8.434 -2.959 1.00 52.20 H new ATOM 0 HD2 LYS A 90 -1.266 -7.010 -4.301 1.00 32.34 H new ATOM 0 HD3 LYS A 90 0.097 -6.126 -4.957 1.00 32.34 H new ATOM 0 HE2 LYS A 90 -0.491 -9.088 -5.363 1.00 0.34 H new ATOM 0 HE3 LYS A 90 -0.679 -7.821 -6.559 1.00 0.34 H new ATOM 0 HZ1 LYS A 90 1.362 -8.477 -7.156 1.00 71.13 H new ATOM 0 HZ2 LYS A 90 1.882 -7.484 -5.881 1.00 71.13 H new ATOM 0 HZ3 LYS A 90 1.726 -9.158 -5.643 1.00 71.13 H new ATOM 1471 N ALA A 91 -1.157 -7.887 0.122 1.00 55.43 N ATOM 1472 CA ALA A 91 -1.586 -9.132 0.783 1.00 45.00 C ATOM 1473 C ALA A 91 -3.098 -9.093 1.077 1.00 3.55 C ATOM 1474 O ALA A 91 -3.791 -10.100 0.909 1.00 1.54 O ATOM 1475 CB ALA A 91 -0.778 -9.361 2.070 1.00 62.44 C ATOM 0 H ALA A 91 -0.553 -7.304 0.701 1.00 55.43 H new ATOM 0 HA ALA A 91 -1.395 -9.969 0.111 1.00 45.00 H new ATOM 0 HB1 ALA A 91 -1.107 -10.285 2.547 1.00 62.44 H new ATOM 0 HB2 ALA A 91 0.282 -9.436 1.826 1.00 62.44 H new ATOM 0 HB3 ALA A 91 -0.935 -8.525 2.752 1.00 62.44 H new ATOM 1481 N ALA A 92 -3.590 -7.905 1.493 1.00 51.54 N ATOM 1482 CA ALA A 92 -5.025 -7.657 1.765 1.00 4.04 C ATOM 1483 C ALA A 92 -5.856 -7.675 0.467 1.00 13.21 C ATOM 1484 O ALA A 92 -7.038 -8.053 0.478 1.00 32.33 O ATOM 1485 CB ALA A 92 -5.197 -6.316 2.495 1.00 34.40 C ATOM 0 H ALA A 92 -3.001 -7.087 1.650 1.00 51.54 H new ATOM 0 HA ALA A 92 -5.393 -8.461 2.403 1.00 4.04 H new ATOM 0 HB1 ALA A 92 -6.255 -6.142 2.691 1.00 34.40 H new ATOM 0 HB2 ALA A 92 -4.653 -6.343 3.439 1.00 34.40 H new ATOM 0 HB3 ALA A 92 -4.806 -5.511 1.874 1.00 34.40 H new ATOM 1491 N ALA A 93 -5.227 -7.246 -0.643 1.00 41.02 N ATOM 1492 CA ALA A 93 -5.846 -7.282 -1.977 1.00 54.51 C ATOM 1493 C ALA A 93 -5.930 -8.733 -2.487 1.00 43.51 C ATOM 1494 O ALA A 93 -6.995 -9.181 -2.915 1.00 5.34 O ATOM 1495 CB ALA A 93 -5.072 -6.386 -2.954 1.00 22.14 C ATOM 0 H ALA A 93 -4.280 -6.867 -0.639 1.00 41.02 H new ATOM 0 HA ALA A 93 -6.862 -6.892 -1.906 1.00 54.51 H new ATOM 0 HB1 ALA A 93 -5.544 -6.425 -3.936 1.00 22.14 H new ATOM 0 HB2 ALA A 93 -5.078 -5.359 -2.589 1.00 22.14 H new ATOM 0 HB3 ALA A 93 -4.043 -6.737 -3.032 1.00 22.14 H new ATOM 1501 N LEU A 94 -4.801 -9.471 -2.375 1.00 11.12 N ATOM 1502 CA LEU A 94 -4.715 -10.899 -2.758 1.00 15.11 C ATOM 1503 C LEU A 94 -5.677 -11.747 -1.918 1.00 43.04 C ATOM 1504 O LEU A 94 -6.234 -12.724 -2.412 1.00 63.12 O ATOM 1505 CB LEU A 94 -3.264 -11.432 -2.610 1.00 41.45 C ATOM 1506 CG LEU A 94 -2.227 -10.859 -3.623 1.00 12.44 C ATOM 1507 CD1 LEU A 94 -0.797 -11.362 -3.311 1.00 32.34 C ATOM 1508 CD2 LEU A 94 -2.635 -11.164 -5.083 1.00 41.32 C ATOM 0 H LEU A 94 -3.924 -9.093 -2.016 1.00 11.12 H new ATOM 0 HA LEU A 94 -5.004 -10.978 -3.806 1.00 15.11 H new ATOM 0 HB2 LEU A 94 -2.917 -11.213 -1.600 1.00 41.45 H new ATOM 0 HB3 LEU A 94 -3.283 -12.517 -2.712 1.00 41.45 H new ATOM 0 HG LEU A 94 -2.221 -9.775 -3.510 1.00 12.44 H new ATOM 0 HD11 LEU A 94 -0.098 -10.944 -4.036 1.00 32.34 H new ATOM 0 HD12 LEU A 94 -0.511 -11.047 -2.308 1.00 32.34 H new ATOM 0 HD13 LEU A 94 -0.773 -12.450 -3.370 1.00 32.34 H new ATOM 0 HD21 LEU A 94 -1.890 -10.750 -5.763 1.00 41.32 H new ATOM 0 HD22 LEU A 94 -2.697 -12.243 -5.226 1.00 41.32 H new ATOM 0 HD23 LEU A 94 -3.606 -10.714 -5.291 1.00 41.32 H new ATOM 1520 N GLU A 95 -5.885 -11.330 -0.663 1.00 3.34 N ATOM 1521 CA GLU A 95 -6.872 -11.931 0.245 1.00 42.04 C ATOM 1522 C GLU A 95 -8.300 -11.836 -0.352 1.00 22.51 C ATOM 1523 O GLU A 95 -9.111 -12.767 -0.228 1.00 53.55 O ATOM 1524 CB GLU A 95 -6.791 -11.226 1.620 1.00 41.15 C ATOM 1525 CG GLU A 95 -7.726 -11.790 2.698 1.00 42.14 C ATOM 1526 CD GLU A 95 -7.631 -11.018 4.010 1.00 11.15 C ATOM 1527 OE1 GLU A 95 -8.244 -9.935 4.103 1.00 22.32 O ATOM 1528 OE2 GLU A 95 -6.937 -11.472 4.946 1.00 63.24 O ATOM 0 H GLU A 95 -5.367 -10.557 -0.244 1.00 3.34 H new ATOM 0 HA GLU A 95 -6.647 -12.989 0.376 1.00 42.04 H new ATOM 0 HB2 GLU A 95 -5.765 -11.288 1.983 1.00 41.15 H new ATOM 0 HB3 GLU A 95 -7.017 -10.169 1.482 1.00 41.15 H new ATOM 0 HG2 GLU A 95 -8.754 -11.761 2.336 1.00 42.14 H new ATOM 0 HG3 GLU A 95 -7.481 -12.837 2.877 1.00 42.14 H new ATOM 1535 N ALA A 96 -8.563 -10.724 -1.065 1.00 33.50 N ATOM 1536 CA ALA A 96 -9.843 -10.495 -1.755 1.00 12.35 C ATOM 1537 C ALA A 96 -9.841 -11.184 -3.140 1.00 32.21 C ATOM 1538 O ALA A 96 -10.892 -11.316 -3.762 1.00 52.54 O ATOM 1539 CB ALA A 96 -10.115 -8.983 -1.884 1.00 11.32 C ATOM 0 H ALA A 96 -7.894 -9.962 -1.178 1.00 33.50 H new ATOM 0 HA ALA A 96 -10.647 -10.935 -1.164 1.00 12.35 H new ATOM 0 HB1 ALA A 96 -11.064 -8.826 -2.396 1.00 11.32 H new ATOM 0 HB2 ALA A 96 -10.160 -8.535 -0.891 1.00 11.32 H new ATOM 0 HB3 ALA A 96 -9.313 -8.517 -2.456 1.00 11.32 H new ATOM 1545 N MET A 97 -8.648 -11.628 -3.609 1.00 20.02 N ATOM 1546 CA MET A 97 -8.485 -12.354 -4.889 1.00 35.13 C ATOM 1547 C MET A 97 -8.402 -13.867 -4.636 1.00 23.41 C ATOM 1548 O MET A 97 -8.231 -14.640 -5.578 1.00 13.55 O ATOM 1549 CB MET A 97 -7.203 -11.873 -5.625 1.00 41.44 C ATOM 1550 CG MET A 97 -7.206 -10.386 -5.968 1.00 33.35 C ATOM 1551 SD MET A 97 -8.604 -9.916 -7.003 1.00 32.22 S ATOM 1552 CE MET A 97 -8.504 -8.133 -6.924 1.00 15.41 C ATOM 0 H MET A 97 -7.771 -11.491 -3.107 1.00 20.02 H new ATOM 0 HA MET A 97 -9.352 -12.145 -5.516 1.00 35.13 H new ATOM 0 HB2 MET A 97 -6.335 -12.090 -5.002 1.00 41.44 H new ATOM 0 HB3 MET A 97 -7.087 -12.447 -6.544 1.00 41.44 H new ATOM 0 HG2 MET A 97 -7.229 -9.804 -5.046 1.00 33.35 H new ATOM 0 HG3 MET A 97 -6.278 -10.133 -6.481 1.00 33.35 H new ATOM 0 HE1 MET A 97 -9.509 -7.712 -6.916 1.00 15.41 H new ATOM 0 HE2 MET A 97 -7.980 -7.838 -6.015 1.00 15.41 H new ATOM 0 HE3 MET A 97 -7.961 -7.760 -7.793 1.00 15.41 H new ATOM 1562 N LYS A 98 -8.503 -14.259 -3.335 1.00 20.24 N ATOM 1563 CA LYS A 98 -8.433 -15.659 -2.855 1.00 75.52 C ATOM 1564 C LYS A 98 -7.012 -16.250 -2.977 1.00 70.00 C ATOM 1565 O LYS A 98 -6.811 -17.444 -2.731 1.00 61.44 O ATOM 1566 CB LYS A 98 -9.485 -16.568 -3.571 1.00 4.55 C ATOM 1567 CG LYS A 98 -10.954 -16.111 -3.402 1.00 52.25 C ATOM 1568 CD LYS A 98 -11.460 -16.216 -1.945 1.00 4.41 C ATOM 1569 CE LYS A 98 -11.517 -17.667 -1.427 1.00 1.11 C ATOM 1570 NZ LYS A 98 -12.461 -18.510 -2.203 1.00 21.42 N ATOM 0 H LYS A 98 -8.639 -13.590 -2.577 1.00 20.24 H new ATOM 0 HA LYS A 98 -8.680 -15.635 -1.794 1.00 75.52 H new ATOM 0 HB2 LYS A 98 -9.250 -16.604 -4.635 1.00 4.55 H new ATOM 0 HB3 LYS A 98 -9.388 -17.584 -3.188 1.00 4.55 H new ATOM 0 HG2 LYS A 98 -11.048 -15.079 -3.739 1.00 52.25 H new ATOM 0 HG3 LYS A 98 -11.592 -16.716 -4.046 1.00 52.25 H new ATOM 0 HD2 LYS A 98 -10.807 -15.631 -1.297 1.00 4.41 H new ATOM 0 HD3 LYS A 98 -12.454 -15.774 -1.879 1.00 4.41 H new ATOM 0 HE2 LYS A 98 -10.520 -18.106 -1.474 1.00 1.11 H new ATOM 0 HE3 LYS A 98 -11.815 -17.664 -0.379 1.00 1.11 H new ATOM 0 HZ1 LYS A 98 -12.553 -19.439 -1.746 1.00 21.42 H new ATOM 0 HZ2 LYS A 98 -13.392 -18.047 -2.237 1.00 21.42 H new ATOM 0 HZ3 LYS A 98 -12.100 -18.635 -3.170 1.00 21.42 H new ATOM 1584 N ASP A 99 -6.016 -15.404 -3.303 1.00 24.45 N ATOM 1585 CA ASP A 99 -4.609 -15.824 -3.466 1.00 25.14 C ATOM 1586 C ASP A 99 -3.872 -15.761 -2.127 1.00 35.13 C ATOM 1587 O ASP A 99 -2.787 -15.179 -2.033 1.00 72.21 O ATOM 1588 CB ASP A 99 -3.886 -14.934 -4.517 1.00 13.13 C ATOM 1589 CG ASP A 99 -4.328 -15.211 -5.952 1.00 40.42 C ATOM 1590 OD1 ASP A 99 -5.285 -14.574 -6.426 1.00 50.22 O ATOM 1591 OD2 ASP A 99 -3.715 -16.077 -6.615 1.00 33.21 O ATOM 0 H ASP A 99 -6.164 -14.407 -3.461 1.00 24.45 H new ATOM 0 HA ASP A 99 -4.602 -16.854 -3.822 1.00 25.14 H new ATOM 0 HB2 ASP A 99 -4.071 -13.886 -4.283 1.00 13.13 H new ATOM 0 HB3 ASP A 99 -2.810 -15.093 -4.439 1.00 13.13 H new ATOM 1596 N TYR A 100 -4.470 -16.380 -1.100 1.00 10.52 N ATOM 1597 CA TYR A 100 -3.875 -16.520 0.244 1.00 11.14 C ATOM 1598 C TYR A 100 -2.481 -17.154 0.183 1.00 73.24 C ATOM 1599 O TYR A 100 -1.589 -16.782 0.942 1.00 1.23 O ATOM 1600 CB TYR A 100 -4.802 -17.380 1.131 1.00 65.44 C ATOM 1601 CG TYR A 100 -6.261 -16.918 1.106 1.00 21.24 C ATOM 1602 CD1 TYR A 100 -6.591 -15.594 1.362 1.00 43.14 C ATOM 1603 CD2 TYR A 100 -7.298 -17.794 0.801 1.00 60.44 C ATOM 1604 CE1 TYR A 100 -7.892 -15.174 1.324 1.00 0.30 C ATOM 1605 CE2 TYR A 100 -8.604 -17.372 0.765 1.00 21.44 C ATOM 1606 CZ TYR A 100 -8.893 -16.056 1.024 1.00 55.23 C ATOM 1607 OH TYR A 100 -10.188 -15.618 0.984 1.00 4.01 O ATOM 0 H TYR A 100 -5.394 -16.805 -1.177 1.00 10.52 H new ATOM 0 HA TYR A 100 -3.768 -15.523 0.672 1.00 11.14 H new ATOM 0 HB2 TYR A 100 -4.751 -18.417 0.800 1.00 65.44 H new ATOM 0 HB3 TYR A 100 -4.437 -17.355 2.158 1.00 65.44 H new ATOM 0 HD1 TYR A 100 -5.809 -14.886 1.594 1.00 43.14 H new ATOM 0 HD2 TYR A 100 -7.071 -18.828 0.588 1.00 60.44 H new ATOM 0 HE1 TYR A 100 -8.130 -14.141 1.532 1.00 0.30 H new ATOM 0 HE2 TYR A 100 -9.396 -18.069 0.535 1.00 21.44 H new ATOM 0 HH TYR A 100 -10.213 -14.703 0.633 1.00 4.01 H new ATOM 1617 N THR A 101 -2.338 -18.102 -0.761 1.00 12.42 N ATOM 1618 CA THR A 101 -1.079 -18.788 -1.061 1.00 72.21 C ATOM 1619 C THR A 101 0.042 -17.792 -1.408 1.00 72.42 C ATOM 1620 O THR A 101 1.193 -18.007 -1.050 1.00 5.32 O ATOM 1621 CB THR A 101 -1.279 -19.776 -2.251 1.00 61.30 C ATOM 1622 OG1 THR A 101 -1.879 -19.074 -3.359 1.00 31.41 O ATOM 1623 CG2 THR A 101 -2.162 -20.972 -1.856 1.00 75.34 C ATOM 0 H THR A 101 -3.113 -18.415 -1.345 1.00 12.42 H new ATOM 0 HA THR A 101 -0.783 -19.338 -0.167 1.00 72.21 H new ATOM 0 HB THR A 101 -0.301 -20.165 -2.536 1.00 61.30 H new ATOM 0 HG1 THR A 101 -2.004 -19.692 -4.109 1.00 31.41 H new ATOM 0 HG21 THR A 101 -2.278 -21.637 -2.712 1.00 75.34 H new ATOM 0 HG22 THR A 101 -1.693 -21.515 -1.035 1.00 75.34 H new ATOM 0 HG23 THR A 101 -3.142 -20.613 -1.541 1.00 75.34 H new ATOM 1631 N LYS A 102 -0.308 -16.702 -2.114 1.00 62.13 N ATOM 1632 CA LYS A 102 0.663 -15.668 -2.508 1.00 43.53 C ATOM 1633 C LYS A 102 0.797 -14.614 -1.414 1.00 13.21 C ATOM 1634 O LYS A 102 1.898 -14.133 -1.155 1.00 14.21 O ATOM 1635 CB LYS A 102 0.263 -15.037 -3.868 1.00 22.05 C ATOM 1636 CG LYS A 102 0.235 -16.010 -5.074 1.00 4.01 C ATOM 1637 CD LYS A 102 1.623 -16.653 -5.424 1.00 44.12 C ATOM 1638 CE LYS A 102 1.933 -17.943 -4.629 1.00 52.21 C ATOM 1639 NZ LYS A 102 3.286 -18.487 -4.926 1.00 4.13 N ATOM 0 H LYS A 102 -1.261 -16.515 -2.424 1.00 62.13 H new ATOM 0 HA LYS A 102 1.640 -16.134 -2.636 1.00 43.53 H new ATOM 0 HB2 LYS A 102 -0.725 -14.588 -3.763 1.00 22.05 H new ATOM 0 HB3 LYS A 102 0.959 -14.229 -4.092 1.00 22.05 H new ATOM 0 HG2 LYS A 102 -0.478 -16.807 -4.865 1.00 4.01 H new ATOM 0 HG3 LYS A 102 -0.134 -15.474 -5.949 1.00 4.01 H new ATOM 0 HD2 LYS A 102 1.649 -16.879 -6.490 1.00 44.12 H new ATOM 0 HD3 LYS A 102 2.409 -15.923 -5.234 1.00 44.12 H new ATOM 0 HE2 LYS A 102 1.855 -17.735 -3.562 1.00 52.21 H new ATOM 0 HE3 LYS A 102 1.183 -18.698 -4.862 1.00 52.21 H new ATOM 0 HZ1 LYS A 102 3.443 -19.350 -4.368 1.00 4.13 H new ATOM 0 HZ2 LYS A 102 3.355 -18.712 -5.939 1.00 4.13 H new ATOM 0 HZ3 LYS A 102 4.007 -17.779 -4.679 1.00 4.13 H new ATOM 1653 N ALA A 103 -0.337 -14.289 -0.772 1.00 0.33 N ATOM 1654 CA ALA A 103 -0.408 -13.287 0.302 1.00 52.12 C ATOM 1655 C ALA A 103 0.520 -13.655 1.475 1.00 53.10 C ATOM 1656 O ALA A 103 1.234 -12.801 1.998 1.00 11.14 O ATOM 1657 CB ALA A 103 -1.856 -13.129 0.784 1.00 11.44 C ATOM 0 H ALA A 103 -1.237 -14.718 -0.986 1.00 0.33 H new ATOM 0 HA ALA A 103 -0.066 -12.334 -0.101 1.00 52.12 H new ATOM 0 HB1 ALA A 103 -1.896 -12.385 1.579 1.00 11.44 H new ATOM 0 HB2 ALA A 103 -2.483 -12.806 -0.047 1.00 11.44 H new ATOM 0 HB3 ALA A 103 -2.220 -14.084 1.163 1.00 11.44 H new ATOM 1663 N MET A 104 0.541 -14.952 1.830 1.00 62.23 N ATOM 1664 CA MET A 104 1.353 -15.468 2.953 1.00 41.41 C ATOM 1665 C MET A 104 2.866 -15.383 2.655 1.00 74.41 C ATOM 1666 O MET A 104 3.683 -15.311 3.569 1.00 71.42 O ATOM 1667 CB MET A 104 0.945 -16.924 3.299 1.00 63.14 C ATOM 1668 CG MET A 104 1.251 -17.978 2.228 1.00 35.45 C ATOM 1669 SD MET A 104 0.695 -19.635 2.694 1.00 33.34 S ATOM 1670 CE MET A 104 -1.077 -19.412 2.891 1.00 71.44 C ATOM 0 H MET A 104 -0.001 -15.671 1.351 1.00 62.23 H new ATOM 0 HA MET A 104 1.154 -14.834 3.817 1.00 41.41 H new ATOM 0 HB2 MET A 104 1.450 -17.213 4.220 1.00 63.14 H new ATOM 0 HB3 MET A 104 -0.126 -16.942 3.503 1.00 63.14 H new ATOM 0 HG2 MET A 104 0.771 -17.689 1.293 1.00 35.45 H new ATOM 0 HG3 MET A 104 2.325 -17.999 2.042 1.00 35.45 H new ATOM 0 HE1 MET A 104 -1.541 -20.370 3.125 1.00 71.44 H new ATOM 0 HE2 MET A 104 -1.267 -18.709 3.702 1.00 71.44 H new ATOM 0 HE3 MET A 104 -1.500 -19.021 1.966 1.00 71.44 H new ATOM 1680 N ASP A 105 3.230 -15.394 1.367 1.00 11.11 N ATOM 1681 CA ASP A 105 4.626 -15.162 0.939 1.00 74.00 C ATOM 1682 C ASP A 105 4.958 -13.661 0.960 1.00 21.13 C ATOM 1683 O ASP A 105 6.129 -13.286 1.076 1.00 52.31 O ATOM 1684 CB ASP A 105 4.887 -15.770 -0.468 1.00 52.32 C ATOM 1685 CG ASP A 105 4.976 -17.309 -0.449 1.00 72.44 C ATOM 1686 OD1 ASP A 105 3.931 -17.981 -0.533 1.00 72.34 O ATOM 1687 OD2 ASP A 105 6.096 -17.853 -0.317 1.00 23.21 O ATOM 0 H ASP A 105 2.581 -15.561 0.598 1.00 11.11 H new ATOM 0 HA ASP A 105 5.285 -15.666 1.646 1.00 74.00 H new ATOM 0 HB2 ASP A 105 4.088 -15.466 -1.144 1.00 52.32 H new ATOM 0 HB3 ASP A 105 5.815 -15.362 -0.868 1.00 52.32 H new ATOM 1692 N VAL A 106 3.919 -12.805 0.867 1.00 13.43 N ATOM 1693 CA VAL A 106 4.087 -11.340 0.886 1.00 61.42 C ATOM 1694 C VAL A 106 4.243 -10.865 2.349 1.00 21.13 C ATOM 1695 O VAL A 106 4.999 -9.930 2.634 1.00 35.20 O ATOM 1696 CB VAL A 106 2.881 -10.616 0.175 1.00 41.13 C ATOM 1697 CG1 VAL A 106 3.056 -9.095 0.187 1.00 73.42 C ATOM 1698 CG2 VAL A 106 2.709 -11.112 -1.276 1.00 73.45 C ATOM 0 H VAL A 106 2.949 -13.108 0.777 1.00 13.43 H new ATOM 0 HA VAL A 106 4.986 -11.078 0.329 1.00 61.42 H new ATOM 0 HB VAL A 106 1.982 -10.865 0.739 1.00 41.13 H new ATOM 0 HG11 VAL A 106 2.207 -8.627 -0.311 1.00 73.42 H new ATOM 0 HG12 VAL A 106 3.111 -8.743 1.217 1.00 73.42 H new ATOM 0 HG13 VAL A 106 3.975 -8.830 -0.336 1.00 73.42 H new ATOM 0 HG21 VAL A 106 1.870 -10.594 -1.740 1.00 73.45 H new ATOM 0 HG22 VAL A 106 3.619 -10.907 -1.841 1.00 73.45 H new ATOM 0 HG23 VAL A 106 2.517 -12.185 -1.273 1.00 73.45 H new ATOM 1708 N TYR A 107 3.536 -11.568 3.261 1.00 54.32 N ATOM 1709 CA TYR A 107 3.630 -11.380 4.727 1.00 45.21 C ATOM 1710 C TYR A 107 5.083 -11.609 5.190 1.00 42.13 C ATOM 1711 O TYR A 107 5.656 -10.789 5.931 1.00 2.25 O ATOM 1712 CB TYR A 107 2.615 -12.360 5.448 1.00 1.10 C ATOM 1713 CG TYR A 107 3.162 -13.161 6.658 1.00 30.14 C ATOM 1714 CD1 TYR A 107 3.230 -12.604 7.927 1.00 72.33 C ATOM 1715 CD2 TYR A 107 3.620 -14.480 6.514 1.00 24.14 C ATOM 1716 CE1 TYR A 107 3.723 -13.324 8.994 1.00 24.11 C ATOM 1717 CE2 TYR A 107 4.115 -15.199 7.581 1.00 3.44 C ATOM 1718 CZ TYR A 107 4.164 -14.611 8.822 1.00 15.33 C ATOM 1719 OH TYR A 107 4.635 -15.319 9.906 1.00 2.13 O ATOM 0 H TYR A 107 2.872 -12.295 2.995 1.00 54.32 H new ATOM 0 HA TYR A 107 3.358 -10.359 4.995 1.00 45.21 H new ATOM 0 HB2 TYR A 107 1.759 -11.776 5.786 1.00 1.10 H new ATOM 0 HB3 TYR A 107 2.244 -13.070 4.709 1.00 1.10 H new ATOM 0 HD1 TYR A 107 2.891 -11.590 8.081 1.00 72.33 H new ATOM 0 HD2 TYR A 107 3.584 -14.945 5.540 1.00 24.14 H new ATOM 0 HE1 TYR A 107 3.762 -12.871 9.974 1.00 24.11 H new ATOM 0 HE2 TYR A 107 4.460 -16.213 7.443 1.00 3.44 H new ATOM 0 HH TYR A 107 4.908 -16.215 9.618 1.00 2.13 H new ATOM 1729 N GLN A 108 5.641 -12.746 4.727 1.00 51.35 N ATOM 1730 CA GLN A 108 6.998 -13.196 5.041 1.00 71.24 C ATOM 1731 C GLN A 108 7.996 -12.109 4.621 1.00 50.40 C ATOM 1732 O GLN A 108 8.800 -11.642 5.438 1.00 30.11 O ATOM 1733 CB GLN A 108 7.259 -14.550 4.299 1.00 62.12 C ATOM 1734 CG GLN A 108 8.444 -15.400 4.815 1.00 65.42 C ATOM 1735 CD GLN A 108 9.829 -14.836 4.488 1.00 43.32 C ATOM 1736 OE1 GLN A 108 10.325 -13.977 5.347 1.00 63.02 O flip ATOM 1737 NE2 GLN A 108 10.413 -15.129 3.449 1.00 24.03 N flip ATOM 0 H GLN A 108 5.142 -13.387 4.110 1.00 51.35 H new ATOM 0 HA GLN A 108 7.120 -13.364 6.111 1.00 71.24 H new ATOM 0 HB2 GLN A 108 6.353 -15.153 4.361 1.00 62.12 H new ATOM 0 HB3 GLN A 108 7.427 -14.334 3.244 1.00 62.12 H new ATOM 0 HG2 GLN A 108 8.355 -15.503 5.896 1.00 65.42 H new ATOM 0 HG3 GLN A 108 8.366 -16.402 4.392 1.00 65.42 H new ATOM 0 HE21 GLN A 108 9.999 -15.801 2.803 1.00 24.03 H new ATOM 0 HE22 GLN A 108 11.313 -14.701 3.231 1.00 24.03 H new ATOM 1746 N LYS A 109 7.896 -11.691 3.348 1.00 1.11 N ATOM 1747 CA LYS A 109 8.804 -10.700 2.763 1.00 71.11 C ATOM 1748 C LYS A 109 8.655 -9.319 3.411 1.00 63.21 C ATOM 1749 O LYS A 109 9.642 -8.593 3.512 1.00 4.23 O ATOM 1750 CB LYS A 109 8.617 -10.628 1.224 1.00 71.04 C ATOM 1751 CG LYS A 109 9.038 -11.920 0.489 1.00 54.22 C ATOM 1752 CD LYS A 109 10.500 -12.343 0.776 1.00 12.42 C ATOM 1753 CE LYS A 109 11.531 -11.283 0.337 1.00 43.35 C ATOM 1754 NZ LYS A 109 12.917 -11.657 0.726 1.00 15.13 N ATOM 0 H LYS A 109 7.185 -12.031 2.701 1.00 1.11 H new ATOM 0 HA LYS A 109 9.822 -11.030 2.969 1.00 71.11 H new ATOM 0 HB2 LYS A 109 7.570 -10.419 1.003 1.00 71.04 H new ATOM 0 HB3 LYS A 109 9.198 -9.792 0.834 1.00 71.04 H new ATOM 0 HG2 LYS A 109 8.369 -12.730 0.781 1.00 54.22 H new ATOM 0 HG3 LYS A 109 8.913 -11.776 -0.584 1.00 54.22 H new ATOM 0 HD2 LYS A 109 10.615 -12.533 1.843 1.00 12.42 H new ATOM 0 HD3 LYS A 109 10.709 -13.281 0.261 1.00 12.42 H new ATOM 0 HE2 LYS A 109 11.480 -11.154 -0.744 1.00 43.35 H new ATOM 0 HE3 LYS A 109 11.276 -10.322 0.784 1.00 43.35 H new ATOM 0 HZ1 LYS A 109 13.587 -11.290 0.020 1.00 15.13 H new ATOM 0 HZ2 LYS A 109 13.138 -11.250 1.657 1.00 15.13 H new ATOM 0 HZ3 LYS A 109 12.997 -12.693 0.773 1.00 15.13 H new ATOM 1768 N ALA A 110 7.439 -8.982 3.871 1.00 2.12 N ATOM 1769 CA ALA A 110 7.181 -7.712 4.577 1.00 22.14 C ATOM 1770 C ALA A 110 7.906 -7.692 5.938 1.00 4.21 C ATOM 1771 O ALA A 110 8.546 -6.695 6.294 1.00 0.02 O ATOM 1772 CB ALA A 110 5.675 -7.486 4.745 1.00 10.03 C ATOM 0 H ALA A 110 6.614 -9.573 3.767 1.00 2.12 H new ATOM 0 HA ALA A 110 7.576 -6.893 3.976 1.00 22.14 H new ATOM 0 HB1 ALA A 110 5.504 -6.545 5.268 1.00 10.03 H new ATOM 0 HB2 ALA A 110 5.201 -7.447 3.764 1.00 10.03 H new ATOM 0 HB3 ALA A 110 5.246 -8.305 5.323 1.00 10.03 H new ATOM 1778 N LEU A 111 7.826 -8.822 6.680 1.00 42.12 N ATOM 1779 CA LEU A 111 8.601 -9.008 7.932 1.00 74.32 C ATOM 1780 C LEU A 111 10.111 -9.029 7.648 1.00 40.40 C ATOM 1781 O LEU A 111 10.904 -8.568 8.467 1.00 71.05 O ATOM 1782 CB LEU A 111 8.213 -10.319 8.653 1.00 71.21 C ATOM 1783 CG LEU A 111 6.781 -10.401 9.253 1.00 51.42 C ATOM 1784 CD1 LEU A 111 6.562 -11.780 9.908 1.00 72.03 C ATOM 1785 CD2 LEU A 111 6.520 -9.261 10.260 1.00 72.33 C ATOM 0 H LEU A 111 7.235 -9.616 6.435 1.00 42.12 H new ATOM 0 HA LEU A 111 8.361 -8.163 8.577 1.00 74.32 H new ATOM 0 HB2 LEU A 111 8.331 -11.141 7.947 1.00 71.21 H new ATOM 0 HB3 LEU A 111 8.927 -10.486 9.459 1.00 71.21 H new ATOM 0 HG LEU A 111 6.064 -10.280 8.441 1.00 51.42 H new ATOM 0 HD11 LEU A 111 5.556 -11.829 10.326 1.00 72.03 H new ATOM 0 HD12 LEU A 111 6.682 -12.562 9.158 1.00 72.03 H new ATOM 0 HD13 LEU A 111 7.293 -11.925 10.704 1.00 72.03 H new ATOM 0 HD21 LEU A 111 5.509 -9.351 10.658 1.00 72.33 H new ATOM 0 HD22 LEU A 111 7.239 -9.325 11.077 1.00 72.33 H new ATOM 0 HD23 LEU A 111 6.627 -8.300 9.757 1.00 72.33 H new ATOM 1797 N ASP A 112 10.478 -9.578 6.476 1.00 54.24 N ATOM 1798 CA ASP A 112 11.879 -9.721 6.048 1.00 73.01 C ATOM 1799 C ASP A 112 12.487 -8.341 5.728 1.00 12.31 C ATOM 1800 O ASP A 112 13.704 -8.155 5.820 1.00 42.42 O ATOM 1801 CB ASP A 112 11.962 -10.688 4.832 1.00 31.34 C ATOM 1802 CG ASP A 112 13.398 -11.019 4.399 1.00 32.43 C ATOM 1803 OD1 ASP A 112 14.135 -11.632 5.200 1.00 4.44 O ATOM 1804 OD2 ASP A 112 13.798 -10.662 3.271 1.00 74.30 O ATOM 0 H ASP A 112 9.807 -9.936 5.797 1.00 54.24 H new ATOM 0 HA ASP A 112 12.465 -10.152 6.860 1.00 73.01 H new ATOM 0 HB2 ASP A 112 11.445 -11.615 5.081 1.00 31.34 H new ATOM 0 HB3 ASP A 112 11.432 -10.244 3.990 1.00 31.34 H new ATOM 1809 N LEU A 113 11.617 -7.377 5.368 1.00 61.20 N ATOM 1810 CA LEU A 113 12.004 -5.967 5.192 1.00 35.54 C ATOM 1811 C LEU A 113 12.196 -5.294 6.565 1.00 40.45 C ATOM 1812 O LEU A 113 13.147 -4.533 6.758 1.00 10.42 O ATOM 1813 CB LEU A 113 10.942 -5.186 4.365 1.00 43.22 C ATOM 1814 CG LEU A 113 10.682 -5.675 2.906 1.00 33.15 C ATOM 1815 CD1 LEU A 113 9.632 -4.796 2.201 1.00 44.15 C ATOM 1816 CD2 LEU A 113 11.987 -5.761 2.093 1.00 72.22 C ATOM 0 H LEU A 113 10.628 -7.555 5.192 1.00 61.20 H new ATOM 0 HA LEU A 113 12.945 -5.945 4.643 1.00 35.54 H new ATOM 0 HB2 LEU A 113 9.997 -5.221 4.908 1.00 43.22 H new ATOM 0 HB3 LEU A 113 11.247 -4.140 4.323 1.00 43.22 H new ATOM 0 HG LEU A 113 10.277 -6.685 2.968 1.00 33.15 H new ATOM 0 HD11 LEU A 113 9.473 -5.162 1.187 1.00 44.15 H new ATOM 0 HD12 LEU A 113 8.693 -4.837 2.753 1.00 44.15 H new ATOM 0 HD13 LEU A 113 9.986 -3.766 2.164 1.00 44.15 H new ATOM 0 HD21 LEU A 113 11.764 -6.105 1.083 1.00 72.22 H new ATOM 0 HD22 LEU A 113 12.452 -4.776 2.047 1.00 72.22 H new ATOM 0 HD23 LEU A 113 12.669 -6.463 2.573 1.00 72.22 H new ATOM 1828 N ASP A 114 11.269 -5.577 7.501 1.00 31.43 N ATOM 1829 CA ASP A 114 11.270 -4.987 8.854 1.00 74.22 C ATOM 1830 C ASP A 114 10.308 -5.750 9.779 1.00 41.03 C ATOM 1831 O ASP A 114 9.145 -5.974 9.422 1.00 24.05 O ATOM 1832 CB ASP A 114 10.883 -3.486 8.793 1.00 21.21 C ATOM 1833 CG ASP A 114 10.691 -2.827 10.164 1.00 51.02 C ATOM 1834 OD1 ASP A 114 11.670 -2.700 10.927 1.00 43.44 O ATOM 1835 OD2 ASP A 114 9.558 -2.431 10.487 1.00 34.42 O ATOM 0 H ASP A 114 10.496 -6.223 7.339 1.00 31.43 H new ATOM 0 HA ASP A 114 12.278 -5.069 9.262 1.00 74.22 H new ATOM 0 HB2 ASP A 114 11.657 -2.945 8.248 1.00 21.21 H new ATOM 0 HB3 ASP A 114 9.960 -3.384 8.221 1.00 21.21 H new ATOM 1840 N SER A 115 10.808 -6.090 10.987 1.00 3.15 N ATOM 1841 CA SER A 115 10.070 -6.867 12.000 1.00 14.22 C ATOM 1842 C SER A 115 8.756 -6.164 12.415 1.00 21.42 C ATOM 1843 O SER A 115 7.698 -6.803 12.510 1.00 61.15 O ATOM 1844 CB SER A 115 10.975 -7.108 13.230 1.00 62.02 C ATOM 1845 OG SER A 115 10.375 -8.003 14.157 1.00 75.41 O ATOM 0 H SER A 115 11.747 -5.828 11.287 1.00 3.15 H new ATOM 0 HA SER A 115 9.795 -7.826 11.562 1.00 14.22 H new ATOM 0 HB2 SER A 115 11.933 -7.511 12.903 1.00 62.02 H new ATOM 0 HB3 SER A 115 11.180 -6.158 13.723 1.00 62.02 H new ATOM 0 HG SER A 115 10.975 -8.134 14.921 1.00 75.41 H new ATOM 1851 N SER A 116 8.813 -4.819 12.550 1.00 14.42 N ATOM 1852 CA SER A 116 7.653 -3.998 12.962 1.00 34.01 C ATOM 1853 C SER A 116 6.586 -3.918 11.835 1.00 54.03 C ATOM 1854 O SER A 116 5.647 -3.135 11.927 1.00 51.22 O ATOM 1855 CB SER A 116 8.132 -2.590 13.392 1.00 44.12 C ATOM 1856 OG SER A 116 7.078 -1.788 13.910 1.00 61.51 O ATOM 0 H SER A 116 9.659 -4.276 12.377 1.00 14.42 H new ATOM 0 HA SER A 116 7.174 -4.476 13.817 1.00 34.01 H new ATOM 0 HB2 SER A 116 8.912 -2.690 14.147 1.00 44.12 H new ATOM 0 HB3 SER A 116 8.580 -2.086 12.536 1.00 44.12 H new ATOM 0 HG SER A 116 6.256 -1.962 13.405 1.00 61.51 H new ATOM 1862 N CYS A 117 6.735 -4.748 10.775 1.00 35.31 N ATOM 1863 CA CYS A 117 5.657 -5.037 9.829 1.00 30.13 C ATOM 1864 C CYS A 117 4.740 -6.148 10.379 1.00 34.22 C ATOM 1865 O CYS A 117 3.998 -6.759 9.613 1.00 5.03 O ATOM 1866 CB CYS A 117 6.202 -5.429 8.451 1.00 24.10 C ATOM 1867 SG CYS A 117 4.934 -5.449 7.159 1.00 34.14 S ATOM 0 H CYS A 117 7.608 -5.230 10.561 1.00 35.31 H new ATOM 0 HA CYS A 117 5.074 -4.124 9.707 1.00 30.13 H new ATOM 0 HB2 CYS A 117 6.989 -4.731 8.167 1.00 24.10 H new ATOM 0 HB3 CYS A 117 6.660 -6.416 8.516 1.00 24.10 H new ATOM 0 HG CYS A 117 3.870 -6.049 7.604 1.00 34.14 H new ATOM 1873 N LYS A 118 4.841 -6.448 11.704 1.00 4.25 N ATOM 1874 CA LYS A 118 3.884 -7.326 12.444 1.00 1.31 C ATOM 1875 C LYS A 118 2.383 -7.125 12.068 1.00 62.32 C ATOM 1876 O LYS A 118 1.582 -8.023 12.312 1.00 21.43 O ATOM 1877 CB LYS A 118 4.033 -7.112 13.976 1.00 11.34 C ATOM 1878 CG LYS A 118 5.425 -7.430 14.558 1.00 32.22 C ATOM 1879 CD LYS A 118 5.830 -8.922 14.433 1.00 31.24 C ATOM 1880 CE LYS A 118 4.905 -9.867 15.227 1.00 11.51 C ATOM 1881 NZ LYS A 118 5.387 -11.278 15.200 1.00 50.22 N ATOM 0 H LYS A 118 5.591 -6.087 12.293 1.00 4.25 H new ATOM 0 HA LYS A 118 4.152 -8.340 12.147 1.00 1.31 H new ATOM 0 HB2 LYS A 118 3.791 -6.074 14.206 1.00 11.34 H new ATOM 0 HB3 LYS A 118 3.295 -7.732 14.485 1.00 11.34 H new ATOM 0 HG2 LYS A 118 6.170 -6.817 14.050 1.00 32.22 H new ATOM 0 HG3 LYS A 118 5.442 -7.145 15.610 1.00 32.22 H new ATOM 0 HD2 LYS A 118 5.817 -9.209 13.382 1.00 31.24 H new ATOM 0 HD3 LYS A 118 6.854 -9.045 14.785 1.00 31.24 H new ATOM 0 HE2 LYS A 118 4.840 -9.526 16.260 1.00 11.51 H new ATOM 0 HE3 LYS A 118 3.898 -9.820 14.812 1.00 11.51 H new ATOM 0 HZ1 LYS A 118 4.736 -11.878 15.746 1.00 50.22 H new ATOM 0 HZ2 LYS A 118 5.424 -11.613 14.216 1.00 50.22 H new ATOM 0 HZ3 LYS A 118 6.337 -11.328 15.619 1.00 50.22 H new ATOM 1895 N GLU A 119 2.021 -5.959 11.492 1.00 13.44 N ATOM 1896 CA GLU A 119 0.678 -5.691 10.913 1.00 63.30 C ATOM 1897 C GLU A 119 0.243 -6.818 9.935 1.00 25.20 C ATOM 1898 O GLU A 119 -0.896 -7.304 9.992 1.00 50.13 O ATOM 1899 CB GLU A 119 0.690 -4.305 10.196 1.00 65.12 C ATOM 1900 CG GLU A 119 1.798 -4.152 9.122 1.00 34.35 C ATOM 1901 CD GLU A 119 1.902 -2.744 8.530 1.00 3.13 C ATOM 1902 OE1 GLU A 119 2.110 -1.793 9.303 1.00 22.31 O ATOM 1903 OE2 GLU A 119 1.814 -2.579 7.297 1.00 60.22 O ATOM 0 H GLU A 119 2.657 -5.165 11.413 1.00 13.44 H new ATOM 0 HA GLU A 119 -0.052 -5.671 11.722 1.00 63.30 H new ATOM 0 HB2 GLU A 119 -0.280 -4.144 9.726 1.00 65.12 H new ATOM 0 HB3 GLU A 119 0.815 -3.523 10.945 1.00 65.12 H new ATOM 0 HG2 GLU A 119 2.757 -4.421 9.564 1.00 34.35 H new ATOM 0 HG3 GLU A 119 1.609 -4.861 8.316 1.00 34.35 H new ATOM 1910 N ALA A 120 1.191 -7.260 9.083 1.00 4.14 N ATOM 1911 CA ALA A 120 0.980 -8.366 8.136 1.00 23.51 C ATOM 1912 C ALA A 120 0.989 -9.728 8.856 1.00 12.13 C ATOM 1913 O ALA A 120 0.419 -10.688 8.342 1.00 33.44 O ATOM 1914 CB ALA A 120 2.052 -8.326 7.031 1.00 2.34 C ATOM 0 H ALA A 120 2.126 -6.856 9.035 1.00 4.14 H new ATOM 0 HA ALA A 120 -0.002 -8.242 7.679 1.00 23.51 H new ATOM 0 HB1 ALA A 120 1.888 -9.148 6.335 1.00 2.34 H new ATOM 0 HB2 ALA A 120 1.987 -7.379 6.496 1.00 2.34 H new ATOM 0 HB3 ALA A 120 3.041 -8.422 7.480 1.00 2.34 H new ATOM 1920 N ALA A 121 1.619 -9.793 10.052 1.00 22.35 N ATOM 1921 CA ALA A 121 1.724 -11.040 10.838 1.00 1.32 C ATOM 1922 C ALA A 121 0.403 -11.331 11.548 1.00 11.04 C ATOM 1923 O ALA A 121 -0.047 -12.471 11.591 1.00 64.22 O ATOM 1924 CB ALA A 121 2.889 -10.956 11.835 1.00 12.32 C ATOM 0 H ALA A 121 2.064 -8.989 10.494 1.00 22.35 H new ATOM 0 HA ALA A 121 1.931 -11.867 10.158 1.00 1.32 H new ATOM 0 HB1 ALA A 121 2.949 -11.884 12.404 1.00 12.32 H new ATOM 0 HB2 ALA A 121 3.822 -10.802 11.292 1.00 12.32 H new ATOM 0 HB3 ALA A 121 2.724 -10.122 12.518 1.00 12.32 H new ATOM 1930 N ASP A 122 -0.224 -10.266 12.057 1.00 3.21 N ATOM 1931 CA ASP A 122 -1.535 -10.336 12.716 1.00 25.42 C ATOM 1932 C ASP A 122 -2.613 -10.657 11.663 1.00 63.14 C ATOM 1933 O ASP A 122 -3.545 -11.433 11.919 1.00 55.01 O ATOM 1934 CB ASP A 122 -1.831 -8.991 13.420 1.00 50.03 C ATOM 1935 CG ASP A 122 -3.080 -9.035 14.315 1.00 62.44 C ATOM 1936 OD1 ASP A 122 -3.000 -9.621 15.414 1.00 75.43 O ATOM 1937 OD2 ASP A 122 -4.143 -8.490 13.934 1.00 72.53 O ATOM 0 H ASP A 122 0.165 -9.324 12.024 1.00 3.21 H new ATOM 0 HA ASP A 122 -1.537 -11.124 13.469 1.00 25.42 H new ATOM 0 HB2 ASP A 122 -0.969 -8.708 14.024 1.00 50.03 H new ATOM 0 HB3 ASP A 122 -1.960 -8.215 12.666 1.00 50.03 H new ATOM 1942 N GLY A 123 -2.430 -10.060 10.462 1.00 1.23 N ATOM 1943 CA GLY A 123 -3.286 -10.321 9.303 1.00 23.43 C ATOM 1944 C GLY A 123 -3.060 -11.696 8.689 1.00 34.42 C ATOM 1945 O GLY A 123 -3.983 -12.254 8.096 1.00 24.13 O ATOM 0 H GLY A 123 -1.685 -9.388 10.279 1.00 1.23 H new ATOM 0 HA2 GLY A 123 -4.330 -10.231 9.603 1.00 23.43 H new ATOM 0 HA3 GLY A 123 -3.105 -9.558 8.546 1.00 23.43 H new ATOM 1949 N TYR A 124 -1.828 -12.240 8.839 1.00 22.42 N ATOM 1950 CA TYR A 124 -1.452 -13.573 8.322 1.00 70.35 C ATOM 1951 C TYR A 124 -2.373 -14.673 8.839 1.00 63.55 C ATOM 1952 O TYR A 124 -2.906 -15.439 8.035 1.00 51.42 O ATOM 1953 CB TYR A 124 0.005 -13.917 8.683 1.00 14.25 C ATOM 1954 CG TYR A 124 0.442 -15.359 8.357 1.00 44.31 C ATOM 1955 CD1 TYR A 124 0.297 -15.892 7.071 1.00 2.15 C ATOM 1956 CD2 TYR A 124 1.008 -16.187 9.333 1.00 61.21 C ATOM 1957 CE1 TYR A 124 0.694 -17.184 6.788 1.00 32.23 C ATOM 1958 CE2 TYR A 124 1.405 -17.477 9.048 1.00 15.15 C ATOM 1959 CZ TYR A 124 1.245 -17.970 7.773 1.00 65.12 C ATOM 1960 OH TYR A 124 1.640 -19.252 7.482 1.00 24.11 O ATOM 0 H TYR A 124 -1.067 -11.763 9.323 1.00 22.42 H new ATOM 0 HA TYR A 124 -1.555 -13.522 7.238 1.00 70.35 H new ATOM 0 HB2 TYR A 124 0.665 -13.227 8.157 1.00 14.25 H new ATOM 0 HB3 TYR A 124 0.148 -13.744 9.750 1.00 14.25 H new ATOM 0 HD1 TYR A 124 -0.132 -15.284 6.288 1.00 2.15 H new ATOM 0 HD2 TYR A 124 1.137 -15.806 10.335 1.00 61.21 H new ATOM 0 HE1 TYR A 124 0.571 -17.578 5.790 1.00 32.23 H new ATOM 0 HE2 TYR A 124 1.838 -18.096 9.820 1.00 15.15 H new ATOM 0 HH TYR A 124 0.972 -19.885 7.819 1.00 24.11 H new ATOM 1970 N GLN A 125 -2.537 -14.742 10.174 1.00 2.52 N ATOM 1971 CA GLN A 125 -3.409 -15.739 10.842 1.00 51.52 C ATOM 1972 C GLN A 125 -4.802 -15.800 10.186 1.00 72.30 C ATOM 1973 O GLN A 125 -5.353 -16.885 10.010 1.00 71.14 O ATOM 1974 CB GLN A 125 -3.524 -15.434 12.367 1.00 10.31 C ATOM 1975 CG GLN A 125 -2.394 -16.032 13.243 1.00 54.52 C ATOM 1976 CD GLN A 125 -0.977 -15.705 12.758 1.00 20.22 C ATOM 1977 OE1 GLN A 125 -0.389 -16.457 11.993 1.00 33.15 O ATOM 1978 NE2 GLN A 125 -0.436 -14.580 13.159 1.00 55.13 N ATOM 0 H GLN A 125 -2.070 -14.110 10.824 1.00 2.52 H new ATOM 0 HA GLN A 125 -2.948 -16.719 10.721 1.00 51.52 H new ATOM 0 HB2 GLN A 125 -3.537 -14.353 12.506 1.00 10.31 H new ATOM 0 HB3 GLN A 125 -4.481 -15.813 12.727 1.00 10.31 H new ATOM 0 HG2 GLN A 125 -2.509 -15.666 14.263 1.00 54.52 H new ATOM 0 HG3 GLN A 125 -2.512 -17.115 13.278 1.00 54.52 H new ATOM 0 HE21 GLN A 125 -0.945 -13.968 13.797 1.00 55.13 H new ATOM 0 HE22 GLN A 125 0.494 -14.316 12.833 1.00 55.13 H new ATOM 1987 N ARG A 126 -5.317 -14.627 9.777 1.00 75.41 N ATOM 1988 CA ARG A 126 -6.567 -14.518 9.012 1.00 33.11 C ATOM 1989 C ARG A 126 -6.387 -15.028 7.565 1.00 32.34 C ATOM 1990 O ARG A 126 -7.224 -15.784 7.088 1.00 54.53 O ATOM 1991 CB ARG A 126 -7.056 -13.047 9.014 1.00 22.43 C ATOM 1992 CG ARG A 126 -8.168 -12.724 7.992 1.00 2.34 C ATOM 1993 CD ARG A 126 -8.678 -11.271 8.087 1.00 70.11 C ATOM 1994 NE ARG A 126 -9.278 -10.820 6.820 1.00 52.33 N ATOM 1995 CZ ARG A 126 -10.570 -10.901 6.474 1.00 14.21 C ATOM 1996 NH1 ARG A 126 -11.466 -11.430 7.297 1.00 42.21 N ATOM 1997 NH2 ARG A 126 -10.939 -10.482 5.275 1.00 71.23 N ATOM 0 H ARG A 126 -4.876 -13.728 9.969 1.00 75.41 H new ATOM 0 HA ARG A 126 -7.319 -15.146 9.490 1.00 33.11 H new ATOM 0 HB2 ARG A 126 -7.420 -12.803 10.012 1.00 22.43 H new ATOM 0 HB3 ARG A 126 -6.203 -12.397 8.817 1.00 22.43 H new ATOM 0 HG2 ARG A 126 -7.791 -12.905 6.985 1.00 2.34 H new ATOM 0 HG3 ARG A 126 -9.004 -13.406 8.147 1.00 2.34 H new ATOM 0 HD2 ARG A 126 -9.416 -11.196 8.886 1.00 70.11 H new ATOM 0 HD3 ARG A 126 -7.852 -10.612 8.353 1.00 70.11 H new ATOM 0 HE ARG A 126 -8.646 -10.404 6.136 1.00 52.33 H new ATOM 0 HH11 ARG A 126 -11.175 -11.783 8.209 1.00 42.21 H new ATOM 0 HH12 ARG A 126 -12.446 -11.484 7.018 1.00 42.21 H new ATOM 0 HH21 ARG A 126 -10.244 -10.105 4.630 1.00 71.23 H new ATOM 0 HH22 ARG A 126 -11.918 -10.536 4.995 1.00 71.23 H new ATOM 2011 N CYS A 127 -5.275 -14.640 6.903 1.00 22.35 N ATOM 2012 CA CYS A 127 -5.059 -14.904 5.460 1.00 33.52 C ATOM 2013 C CYS A 127 -4.974 -16.416 5.178 1.00 32.32 C ATOM 2014 O CYS A 127 -5.683 -16.942 4.309 1.00 22.41 O ATOM 2015 CB CYS A 127 -3.772 -14.204 4.969 1.00 44.11 C ATOM 2016 SG CYS A 127 -3.802 -12.411 5.149 1.00 72.25 S ATOM 0 H CYS A 127 -4.506 -14.139 7.348 1.00 22.35 H new ATOM 0 HA CYS A 127 -5.913 -14.501 4.916 1.00 33.52 H new ATOM 0 HB2 CYS A 127 -2.921 -14.601 5.522 1.00 44.11 H new ATOM 0 HB3 CYS A 127 -3.613 -14.451 3.919 1.00 44.11 H new ATOM 0 HG CYS A 127 -4.095 -12.103 6.377 1.00 72.25 H new ATOM 2022 N MET A 128 -4.114 -17.105 5.940 1.00 62.34 N ATOM 2023 CA MET A 128 -3.917 -18.558 5.799 1.00 14.31 C ATOM 2024 C MET A 128 -5.179 -19.342 6.201 1.00 25.23 C ATOM 2025 O MET A 128 -5.561 -20.288 5.511 1.00 72.13 O ATOM 2026 CB MET A 128 -2.692 -19.036 6.622 1.00 51.02 C ATOM 2027 CG MET A 128 -2.732 -18.690 8.112 1.00 41.43 C ATOM 2028 SD MET A 128 -1.458 -19.542 9.055 1.00 64.02 S ATOM 2029 CE MET A 128 -2.037 -21.236 8.970 1.00 43.53 C ATOM 0 H MET A 128 -3.539 -16.678 6.666 1.00 62.34 H new ATOM 0 HA MET A 128 -3.722 -18.758 4.745 1.00 14.31 H new ATOM 0 HB2 MET A 128 -2.605 -20.118 6.519 1.00 51.02 H new ATOM 0 HB3 MET A 128 -1.791 -18.601 6.189 1.00 51.02 H new ATOM 0 HG2 MET A 128 -2.611 -17.614 8.235 1.00 41.43 H new ATOM 0 HG3 MET A 128 -3.711 -18.949 8.515 1.00 41.43 H new ATOM 0 HE1 MET A 128 -1.609 -21.808 9.793 1.00 43.53 H new ATOM 0 HE2 MET A 128 -3.124 -21.253 9.043 1.00 43.53 H new ATOM 0 HE3 MET A 128 -1.730 -21.678 8.022 1.00 43.53 H new ATOM 2039 N MET A 129 -5.847 -18.931 7.299 1.00 30.53 N ATOM 2040 CA MET A 129 -7.062 -19.626 7.766 1.00 55.11 C ATOM 2041 C MET A 129 -8.266 -19.303 6.867 1.00 12.03 C ATOM 2042 O MET A 129 -9.221 -20.048 6.863 1.00 21.44 O ATOM 2043 CB MET A 129 -7.400 -19.302 9.250 1.00 4.23 C ATOM 2044 CG MET A 129 -8.187 -18.003 9.485 1.00 75.22 C ATOM 2045 SD MET A 129 -8.526 -17.705 11.229 1.00 1.24 S ATOM 2046 CE MET A 129 -9.558 -16.245 11.122 1.00 61.45 C ATOM 0 H MET A 129 -5.570 -18.133 7.871 1.00 30.53 H new ATOM 0 HA MET A 129 -6.849 -20.693 7.703 1.00 55.11 H new ATOM 0 HB2 MET A 129 -7.973 -20.132 9.663 1.00 4.23 H new ATOM 0 HB3 MET A 129 -6.468 -19.247 9.812 1.00 4.23 H new ATOM 0 HG2 MET A 129 -7.624 -17.163 9.079 1.00 75.22 H new ATOM 0 HG3 MET A 129 -9.129 -18.049 8.938 1.00 75.22 H new ATOM 0 HE1 MET A 129 -10.259 -16.233 11.957 1.00 61.45 H new ATOM 0 HE2 MET A 129 -8.932 -15.353 11.161 1.00 61.45 H new ATOM 0 HE3 MET A 129 -10.112 -16.259 10.183 1.00 61.45 H new ATOM 2056 N ALA A 130 -8.192 -18.205 6.089 1.00 74.34 N ATOM 2057 CA ALA A 130 -9.307 -17.744 5.224 1.00 12.41 C ATOM 2058 C ALA A 130 -9.682 -18.779 4.146 1.00 63.03 C ATOM 2059 O ALA A 130 -10.792 -18.758 3.618 1.00 52.13 O ATOM 2060 CB ALA A 130 -8.971 -16.398 4.588 1.00 40.40 C ATOM 0 H ALA A 130 -7.364 -17.612 6.039 1.00 74.34 H new ATOM 0 HA ALA A 130 -10.181 -17.624 5.865 1.00 12.41 H new ATOM 0 HB1 ALA A 130 -9.800 -16.076 3.958 1.00 40.40 H new ATOM 0 HB2 ALA A 130 -8.802 -15.658 5.370 1.00 40.40 H new ATOM 0 HB3 ALA A 130 -8.071 -16.497 3.981 1.00 40.40 H new ATOM 2066 N GLN A 131 -8.728 -19.664 3.827 1.00 41.42 N ATOM 2067 CA GLN A 131 -8.976 -20.858 2.995 1.00 4.23 C ATOM 2068 C GLN A 131 -9.218 -22.085 3.893 1.00 75.11 C ATOM 2069 O GLN A 131 -9.987 -22.969 3.528 1.00 30.51 O ATOM 2070 CB GLN A 131 -7.798 -21.109 2.009 1.00 44.35 C ATOM 2071 CG GLN A 131 -6.401 -20.979 2.632 1.00 20.14 C ATOM 2072 CD GLN A 131 -5.255 -21.317 1.679 1.00 2.25 C ATOM 2073 OE1 GLN A 131 -5.415 -22.090 0.740 1.00 43.00 O ATOM 2074 NE2 GLN A 131 -4.077 -20.798 1.955 1.00 45.02 N ATOM 0 H GLN A 131 -7.760 -19.576 4.137 1.00 41.42 H new ATOM 0 HA GLN A 131 -9.870 -20.684 2.397 1.00 4.23 H new ATOM 0 HB2 GLN A 131 -7.901 -22.109 1.588 1.00 44.35 H new ATOM 0 HB3 GLN A 131 -7.879 -20.405 1.181 1.00 44.35 H new ATOM 0 HG2 GLN A 131 -6.270 -19.959 2.992 1.00 20.14 H new ATOM 0 HG3 GLN A 131 -6.341 -21.634 3.501 1.00 20.14 H new ATOM 0 HE21 GLN A 131 -3.974 -20.158 2.742 1.00 45.02 H new ATOM 0 HE22 GLN A 131 -3.268 -21.036 1.382 1.00 45.02 H new ATOM 2083 N TYR A 132 -8.579 -22.127 5.079 1.00 45.45 N ATOM 2084 CA TYR A 132 -8.710 -23.260 6.029 1.00 11.32 C ATOM 2085 C TYR A 132 -9.842 -22.987 7.060 1.00 61.11 C ATOM 2086 O TYR A 132 -9.719 -23.367 8.229 1.00 33.20 O ATOM 2087 CB TYR A 132 -7.353 -23.498 6.780 1.00 63.23 C ATOM 2088 CG TYR A 132 -6.088 -23.561 5.908 1.00 31.30 C ATOM 2089 CD1 TYR A 132 -6.118 -24.002 4.580 1.00 1.21 C ATOM 2090 CD2 TYR A 132 -4.844 -23.174 6.423 1.00 1.14 C ATOM 2091 CE1 TYR A 132 -4.976 -24.045 3.810 1.00 44.32 C ATOM 2092 CE2 TYR A 132 -3.704 -23.217 5.652 1.00 4.24 C ATOM 2093 CZ TYR A 132 -3.774 -23.654 4.347 1.00 44.53 C ATOM 2094 OH TYR A 132 -2.641 -23.689 3.575 1.00 70.44 O ATOM 0 H TYR A 132 -7.961 -21.385 5.408 1.00 45.45 H new ATOM 0 HA TYR A 132 -8.966 -24.154 5.460 1.00 11.32 H new ATOM 0 HB2 TYR A 132 -7.224 -22.700 7.512 1.00 63.23 H new ATOM 0 HB3 TYR A 132 -7.430 -24.432 7.337 1.00 63.23 H new ATOM 0 HD1 TYR A 132 -7.057 -24.316 4.149 1.00 1.21 H new ATOM 0 HD2 TYR A 132 -4.778 -22.835 7.446 1.00 1.14 H new ATOM 0 HE1 TYR A 132 -5.026 -24.385 2.786 1.00 44.32 H new ATOM 0 HE2 TYR A 132 -2.757 -22.909 6.069 1.00 4.24 H new ATOM 0 HH TYR A 132 -1.876 -23.380 4.103 1.00 70.44 H new ATOM 2104 N ASN A 133 -10.944 -22.349 6.618 1.00 72.15 N ATOM 2105 CA ASN A 133 -12.123 -22.082 7.471 1.00 74.13 C ATOM 2106 C ASN A 133 -13.125 -23.247 7.322 1.00 3.34 C ATOM 2107 O ASN A 133 -13.784 -23.343 6.262 1.00 44.24 O ATOM 2108 CB ASN A 133 -12.817 -20.728 7.112 1.00 73.01 C ATOM 2109 CG ASN A 133 -12.056 -19.462 7.536 1.00 40.20 C ATOM 2110 OD1 ASN A 133 -11.358 -19.497 8.666 1.00 64.51 O flip ATOM 2111 ND2 ASN A 133 -12.120 -18.437 6.865 1.00 52.33 N flip ATOM 2112 OXT ASN A 133 -13.252 -24.062 8.261 1.00 37.71 O ATOM 0 H ASN A 133 -11.043 -22.005 5.663 1.00 72.15 H new ATOM 0 HA ASN A 133 -11.784 -22.003 8.504 1.00 74.13 H new ATOM 0 HB2 ASN A 133 -12.972 -20.694 6.034 1.00 73.01 H new ATOM 0 HB3 ASN A 133 -13.803 -20.711 7.576 1.00 73.01 H new ATOM 0 HD21 ASN A 133 -12.660 -18.427 6.000 1.00 52.33 H new ATOM 0 HD22 ASN A 133 -11.633 -17.595 7.172 1.00 52.33 H new TER 2119 ASN A 133