USER MOD reduce.3.24.130724 H: found=0, std=0, add=856, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 243 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 73 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 74 SER OG : rot 41:sc= 0.495 USER MOD Set 2.1: A 10 SER OG : rot 130:sc= 0 USER MOD Set 2.2: A 48 SER OG : rot -160:sc= 0 USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 SER OG : rot -140:sc= -0.399 USER MOD Single : A 21 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0619) USER MOD Single : A 22 TYR OH : rot 149:sc= 0.254 USER MOD Single : A 23 TYR OH : rot -150:sc= 0.0817 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0.18) USER MOD Single : A 32 HIS : no HE2:sc= -0.764 K(o=-0.76,f=-3.8!) USER MOD Single : A 34 GLN : amide:sc= -0.704 X(o=-0.7,f=-0.55) USER MOD Single : A 37 ASN : amide:sc= -0.11 X(o=-0.11,f=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.0898) USER MOD Single : A 46 SER OG : rot 180:sc= 0.486 USER MOD Single : A 47 THR OG1 : rot 84:sc= 0.0917 USER MOD Single : A 51 SER OG : rot 109:sc= -2.36! USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 155:sc= -0.273 (180deg=-1.15) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0.233 K(o=0.23,f=-3.6!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.11 USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -1.13 K(o=-1.1,f=-2.4!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0.925 K(o=0.92,f=-6.5!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -0.0143 X(o=-0.014,f=-0.014) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 83 ASN : amide:sc= -5.11! C(o=-5.1!,f=-3.3!) USER MOD Single : A 85 ASN : amide:sc= 1.04 K(o=1,f=-0.31) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 87:sc= 0.00969 USER MOD Single : A 92 MET CE :methyl -164:sc= 0 (180deg=-0.173) USER MOD Single : A 93 ASN : amide:sc= 0.108 K(o=0.11,f=0.64) USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.844 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 103 MET CE :methyl -119:sc= -0.812 (180deg=-2.46!) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ -161:sc= 0.187 (180deg=0.0902) USER MOD Single : A 108 HIS : no HD1:sc= -0.101 X(o=-0.1,f=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 25 N GLU A 4 1.292 -10.277 -7.841 1.00 0.00 N ATOM 26 CA GLU A 4 1.781 -9.309 -8.854 1.00 0.00 C ATOM 27 C GLU A 4 1.053 -9.468 -10.206 1.00 0.00 C ATOM 28 O GLU A 4 1.631 -9.734 -11.261 1.00 0.00 O ATOM 29 CB GLU A 4 3.311 -9.364 -9.018 1.00 0.00 C ATOM 30 CG GLU A 4 4.068 -8.985 -7.740 1.00 0.00 C ATOM 31 CD GLU A 4 5.568 -9.249 -7.889 1.00 0.00 C ATOM 32 OE1 GLU A 4 6.267 -8.325 -8.358 1.00 0.00 O ATOM 33 OE2 GLU A 4 5.995 -10.347 -7.469 1.00 0.00 O ATOM 0 HA GLU A 4 1.539 -8.315 -8.477 1.00 0.00 H new ATOM 0 HB2 GLU A 4 3.602 -10.370 -9.320 1.00 0.00 H new ATOM 0 HB3 GLU A 4 3.608 -8.691 -9.822 1.00 0.00 H new ATOM 0 HG2 GLU A 4 3.902 -7.932 -7.514 1.00 0.00 H new ATOM 0 HG3 GLU A 4 3.677 -9.557 -6.899 1.00 0.00 H new ATOM 35 N GLN A 5 -0.225 -9.105 -10.144 1.00 0.00 N ATOM 36 CA GLN A 5 -1.173 -9.153 -11.272 1.00 0.00 C ATOM 37 C GLN A 5 -2.419 -8.318 -10.936 1.00 0.00 C ATOM 38 O GLN A 5 -3.169 -8.637 -10.017 1.00 0.00 O ATOM 39 CB GLN A 5 -1.551 -10.595 -11.633 1.00 0.00 C ATOM 40 CG GLN A 5 -1.729 -10.709 -13.150 1.00 0.00 C ATOM 41 CD GLN A 5 -2.047 -12.118 -13.662 1.00 0.00 C ATOM 42 OE1 GLN A 5 -1.759 -13.148 -13.068 1.00 0.00 O ATOM 43 NE2 GLN A 5 -2.618 -12.179 -14.845 1.00 0.00 N ATOM 0 H GLN A 5 -0.650 -8.757 -9.285 1.00 0.00 H new ATOM 0 HA GLN A 5 -0.688 -8.726 -12.149 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -0.775 -11.282 -11.294 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -2.473 -10.879 -11.125 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -2.531 -10.038 -13.458 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -0.817 -10.360 -13.635 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -2.858 -11.320 -15.340 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -2.821 -13.085 -15.267 1.00 0.00 H new ATOM 47 N PHE A 6 -2.305 -7.072 -11.386 1.00 0.00 N ATOM 48 CA PHE A 6 -3.337 -6.015 -11.394 1.00 0.00 C ATOM 49 C PHE A 6 -3.783 -5.625 -9.972 1.00 0.00 C ATOM 50 O PHE A 6 -4.862 -5.953 -9.482 1.00 0.00 O ATOM 51 CB PHE A 6 -4.488 -6.471 -12.307 1.00 0.00 C ATOM 52 CG PHE A 6 -5.372 -5.393 -12.953 1.00 0.00 C ATOM 53 CD1 PHE A 6 -5.005 -4.051 -13.047 1.00 0.00 C ATOM 54 CD2 PHE A 6 -6.484 -5.843 -13.654 1.00 0.00 C ATOM 55 CE1 PHE A 6 -5.736 -3.184 -13.853 1.00 0.00 C ATOM 56 CE2 PHE A 6 -7.210 -4.980 -14.466 1.00 0.00 C ATOM 57 CZ PHE A 6 -6.833 -3.648 -14.568 1.00 0.00 C ATOM 0 H PHE A 6 -1.428 -6.740 -11.786 1.00 0.00 H new ATOM 0 HA PHE A 6 -2.924 -5.092 -11.801 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -4.059 -7.074 -13.108 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -5.135 -7.127 -11.725 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -4.153 -3.684 -12.494 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -6.788 -6.876 -13.567 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -5.449 -2.145 -13.923 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -8.065 -5.345 -15.016 1.00 0.00 H new ATOM 0 HZ PHE A 6 -7.391 -2.974 -15.201 1.00 0.00 H new ATOM 64 N GLU A 7 -2.925 -4.820 -9.350 1.00 0.00 N ATOM 65 CA GLU A 7 -3.108 -4.359 -7.961 1.00 0.00 C ATOM 66 C GLU A 7 -3.620 -2.917 -7.906 1.00 0.00 C ATOM 67 O GLU A 7 -2.862 -1.971 -8.103 1.00 0.00 O ATOM 68 CB GLU A 7 -1.792 -4.502 -7.190 1.00 0.00 C ATOM 69 CG GLU A 7 -1.705 -5.813 -6.399 1.00 0.00 C ATOM 70 CD GLU A 7 -1.717 -7.094 -7.241 1.00 0.00 C ATOM 71 OE1 GLU A 7 -0.989 -7.135 -8.257 1.00 0.00 O ATOM 72 OE2 GLU A 7 -2.286 -8.081 -6.732 1.00 0.00 O ATOM 0 H GLU A 7 -2.077 -4.463 -9.790 1.00 0.00 H new ATOM 0 HA GLU A 7 -3.866 -4.985 -7.491 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -0.959 -4.450 -7.890 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -1.685 -3.662 -6.504 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -0.792 -5.798 -5.805 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -2.540 -5.851 -5.699 1.00 0.00 H new ATOM 74 N LEU A 8 -4.932 -2.814 -7.730 1.00 0.00 N ATOM 75 CA LEU A 8 -5.655 -1.526 -7.669 1.00 0.00 C ATOM 76 C LEU A 8 -6.060 -1.194 -6.225 1.00 0.00 C ATOM 77 O LEU A 8 -6.858 -1.899 -5.606 1.00 0.00 O ATOM 78 CB LEU A 8 -6.908 -1.581 -8.553 1.00 0.00 C ATOM 79 CG LEU A 8 -6.593 -1.896 -10.020 1.00 0.00 C ATOM 80 CD1 LEU A 8 -7.326 -3.170 -10.444 1.00 0.00 C ATOM 81 CD2 LEU A 8 -6.987 -0.720 -10.916 1.00 0.00 C ATOM 0 H LEU A 8 -5.541 -3.625 -7.623 1.00 0.00 H new ATOM 0 HA LEU A 8 -4.987 -0.745 -8.034 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.588 -2.338 -8.163 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.428 -0.625 -8.496 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.520 -2.057 -10.127 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -7.099 -3.390 -11.487 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.001 -4.002 -9.819 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.400 -3.027 -10.329 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -6.757 -0.960 -11.954 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -8.055 -0.529 -10.816 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -6.430 0.168 -10.617 1.00 0.00 H new ATOM 83 N PHE A 9 -5.362 -0.212 -5.664 1.00 0.00 N ATOM 84 CA PHE A 9 -5.607 0.247 -4.281 1.00 0.00 C ATOM 85 C PHE A 9 -6.015 1.725 -4.204 1.00 0.00 C ATOM 86 O PHE A 9 -5.523 2.566 -4.952 1.00 0.00 O ATOM 87 CB PHE A 9 -4.376 -0.004 -3.399 1.00 0.00 C ATOM 88 CG PHE A 9 -3.946 -1.474 -3.400 1.00 0.00 C ATOM 89 CD1 PHE A 9 -4.686 -2.436 -2.722 1.00 0.00 C ATOM 90 CD2 PHE A 9 -2.768 -1.835 -4.039 1.00 0.00 C ATOM 91 CE1 PHE A 9 -4.245 -3.753 -2.674 1.00 0.00 C ATOM 92 CE2 PHE A 9 -2.319 -3.148 -3.976 1.00 0.00 C ATOM 93 CZ PHE A 9 -3.057 -4.109 -3.300 1.00 0.00 C ATOM 0 H PHE A 9 -4.614 0.291 -6.142 1.00 0.00 H new ATOM 0 HA PHE A 9 -6.448 -0.338 -3.908 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -3.549 0.614 -3.750 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -4.595 0.307 -2.377 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -5.607 -2.159 -2.231 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -2.201 -1.096 -4.585 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.825 -4.499 -2.151 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -1.391 -3.422 -4.456 1.00 0.00 H new ATOM 0 HZ PHE A 9 -2.709 -5.131 -3.261 1.00 0.00 H new ATOM 100 N SER A 10 -6.918 2.008 -3.270 1.00 0.00 N ATOM 101 CA SER A 10 -7.446 3.371 -3.032 1.00 0.00 C ATOM 102 C SER A 10 -7.432 3.716 -1.537 1.00 0.00 C ATOM 103 O SER A 10 -8.024 2.982 -0.738 1.00 0.00 O ATOM 104 CB SER A 10 -8.900 3.492 -3.519 1.00 0.00 C ATOM 105 OG SER A 10 -9.044 3.040 -4.869 1.00 0.00 O ATOM 0 H SER A 10 -7.314 1.303 -2.648 1.00 0.00 H new ATOM 0 HA SER A 10 -6.802 4.056 -3.584 1.00 0.00 H new ATOM 0 HB2 SER A 10 -9.552 2.909 -2.868 1.00 0.00 H new ATOM 0 HB3 SER A 10 -9.223 4.530 -3.446 1.00 0.00 H new ATOM 0 HG SER A 10 -9.789 2.405 -4.924 1.00 0.00 H new ATOM 108 N ILE A 11 -6.664 4.747 -1.172 1.00 0.00 N ATOM 109 CA ILE A 11 -6.723 5.315 0.200 1.00 0.00 C ATOM 110 C ILE A 11 -7.967 6.177 0.436 1.00 0.00 C ATOM 111 O ILE A 11 -8.489 6.785 -0.491 1.00 0.00 O ATOM 112 CB ILE A 11 -5.527 6.158 0.680 1.00 0.00 C ATOM 113 CG1 ILE A 11 -5.071 7.210 -0.346 1.00 0.00 C ATOM 114 CG2 ILE A 11 -4.476 5.253 1.336 1.00 0.00 C ATOM 115 CD1 ILE A 11 -4.205 8.320 0.261 1.00 0.00 C ATOM 0 H ILE A 11 -5.998 5.209 -1.791 1.00 0.00 H new ATOM 0 HA ILE A 11 -6.728 4.392 0.780 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.828 6.824 1.489 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.510 6.714 -1.138 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.950 7.658 -0.810 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -3.634 5.858 1.672 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.919 4.741 2.190 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -4.127 4.516 0.612 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.920 9.026 -0.519 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.770 8.841 1.033 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.308 7.883 0.700 1.00 0.00 H new ATOM 117 N ASP A 12 -8.190 6.430 1.721 1.00 0.00 N ATOM 118 CA ASP A 12 -9.285 7.288 2.218 1.00 0.00 C ATOM 119 C ASP A 12 -9.136 8.787 1.888 1.00 0.00 C ATOM 120 O ASP A 12 -10.126 9.453 1.599 1.00 0.00 O ATOM 121 CB ASP A 12 -9.452 7.099 3.733 1.00 0.00 C ATOM 122 CG ASP A 12 -9.511 5.624 4.161 1.00 0.00 C ATOM 123 OD1 ASP A 12 -10.625 5.061 4.187 1.00 0.00 O ATOM 124 OD2 ASP A 12 -8.412 5.119 4.492 1.00 0.00 O ATOM 0 H ASP A 12 -7.612 6.043 2.467 1.00 0.00 H new ATOM 0 HA ASP A 12 -10.177 6.960 1.685 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -8.622 7.586 4.246 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -10.365 7.600 4.056 1.00 0.00 H new ATOM 126 N LYS A 13 -7.893 9.281 1.921 1.00 0.00 N ATOM 127 CA LYS A 13 -7.532 10.721 1.848 1.00 0.00 C ATOM 128 C LYS A 13 -8.456 11.591 2.734 1.00 0.00 C ATOM 129 O LYS A 13 -9.106 12.541 2.302 1.00 0.00 O ATOM 130 CB LYS A 13 -7.450 11.148 0.371 1.00 0.00 C ATOM 131 CG LYS A 13 -6.526 12.345 0.091 1.00 0.00 C ATOM 132 CD LYS A 13 -7.202 13.723 0.074 1.00 0.00 C ATOM 133 CE LYS A 13 -8.124 13.920 -1.135 1.00 0.00 C ATOM 134 NZ LYS A 13 -8.665 15.286 -1.185 1.00 0.00 N ATOM 0 H LYS A 13 -7.075 8.677 2.002 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.542 10.884 2.273 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.107 10.298 -0.219 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.453 11.394 0.023 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -5.740 12.357 0.846 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -6.041 12.188 -0.872 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.780 13.850 0.990 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.436 14.498 0.070 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.572 13.713 -2.052 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.945 13.204 -1.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.284 15.384 -2.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.212 15.475 -0.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -7.882 15.967 -1.255 1.00 0.00 H new ATOM 139 N PHE A 14 -8.570 11.118 3.976 1.00 0.00 N ATOM 140 CA PHE A 14 -9.441 11.685 5.022 1.00 0.00 C ATOM 141 C PHE A 14 -8.676 11.836 6.351 1.00 0.00 C ATOM 142 O PHE A 14 -8.052 12.865 6.590 1.00 0.00 O ATOM 143 CB PHE A 14 -10.711 10.825 5.158 1.00 0.00 C ATOM 144 CG PHE A 14 -11.905 11.388 4.385 1.00 0.00 C ATOM 145 CD1 PHE A 14 -12.379 12.658 4.691 1.00 0.00 C ATOM 146 CD2 PHE A 14 -12.628 10.568 3.525 1.00 0.00 C ATOM 147 CE1 PHE A 14 -13.578 13.106 4.155 1.00 0.00 C ATOM 148 CE2 PHE A 14 -13.833 11.014 2.993 1.00 0.00 C ATOM 149 CZ PHE A 14 -14.309 12.281 3.308 1.00 0.00 C ATOM 0 H PHE A 14 -8.045 10.305 4.298 1.00 0.00 H new ATOM 0 HA PHE A 14 -9.753 12.689 4.735 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -10.499 9.817 4.803 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -10.975 10.742 6.212 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -11.812 13.299 5.349 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -12.254 9.587 3.271 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -13.943 14.094 4.395 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -14.400 10.374 2.333 1.00 0.00 H new ATOM 0 HZ PHE A 14 -15.246 12.624 2.895 1.00 0.00 H new ATOM 156 N LYS A 15 -8.755 10.817 7.208 1.00 0.00 N ATOM 157 CA LYS A 15 -7.927 10.702 8.424 1.00 0.00 C ATOM 158 C LYS A 15 -6.498 10.220 8.092 1.00 0.00 C ATOM 159 O LYS A 15 -6.204 9.921 6.933 1.00 0.00 O ATOM 160 CB LYS A 15 -8.642 9.749 9.391 1.00 0.00 C ATOM 161 CG LYS A 15 -8.893 10.450 10.731 1.00 0.00 C ATOM 162 CD LYS A 15 -9.512 9.558 11.815 1.00 0.00 C ATOM 163 CE LYS A 15 -10.948 9.115 11.517 1.00 0.00 C ATOM 164 NZ LYS A 15 -10.998 7.719 11.056 1.00 0.00 N ATOM 0 H LYS A 15 -9.400 10.037 7.082 1.00 0.00 H new ATOM 0 HA LYS A 15 -7.811 11.680 8.891 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -9.588 9.423 8.959 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -8.038 8.855 9.547 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.947 10.845 11.101 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -9.551 11.303 10.562 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -8.889 8.673 11.941 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -9.498 10.095 12.763 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -11.557 9.225 12.414 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -11.380 9.766 10.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -11.985 7.452 10.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -10.437 7.620 10.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -10.608 7.096 11.792 1.00 0.00 H new ATOM 169 N CYS A 16 -5.740 9.947 9.161 1.00 0.00 N ATOM 170 CA CYS A 16 -4.335 9.468 9.177 1.00 0.00 C ATOM 171 C CYS A 16 -3.296 10.560 8.860 1.00 0.00 C ATOM 172 O CYS A 16 -3.121 10.981 7.721 1.00 0.00 O ATOM 173 CB CYS A 16 -4.139 8.220 8.300 1.00 0.00 C ATOM 174 SG CYS A 16 -5.352 6.910 8.710 1.00 0.00 S ATOM 0 H CYS A 16 -6.108 10.059 10.106 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.145 9.179 10.211 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -4.239 8.493 7.250 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -3.128 7.835 8.434 1.00 0.00 H new ATOM 176 N ASN A 17 -2.745 11.097 9.950 1.00 0.00 N ATOM 177 CA ASN A 17 -1.704 12.152 9.958 1.00 0.00 C ATOM 178 C ASN A 17 -0.410 11.768 9.210 1.00 0.00 C ATOM 179 O ASN A 17 -0.008 12.447 8.270 1.00 0.00 O ATOM 180 CB ASN A 17 -1.433 12.556 11.419 1.00 0.00 C ATOM 181 CG ASN A 17 -0.313 13.593 11.573 1.00 0.00 C ATOM 182 OD1 ASN A 17 -0.499 14.792 11.446 1.00 0.00 O ATOM 183 ND2 ASN A 17 0.884 13.138 11.869 1.00 0.00 N ATOM 0 H ASN A 17 -3.014 10.806 10.890 1.00 0.00 H new ATOM 0 HA ASN A 17 -2.086 13.005 9.397 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -2.349 12.957 11.852 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -1.173 11.665 11.991 1.00 0.00 H new ATOM 0 HD21 ASN A 17 1.660 13.788 11.993 1.00 0.00 H new ATOM 0 HD22 ASN A 17 1.037 12.135 11.975 1.00 0.00 H new ATOM 187 N SER A 18 0.316 10.794 9.763 1.00 0.00 N ATOM 188 CA SER A 18 1.511 10.228 9.095 1.00 0.00 C ATOM 189 C SER A 18 1.043 9.501 7.825 1.00 0.00 C ATOM 190 O SER A 18 -0.003 8.858 7.862 1.00 0.00 O ATOM 191 CB SER A 18 2.279 9.278 10.024 1.00 0.00 C ATOM 192 OG SER A 18 3.377 8.679 9.327 1.00 0.00 O ATOM 0 H SER A 18 0.106 10.375 10.669 1.00 0.00 H new ATOM 0 HA SER A 18 2.201 11.031 8.835 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.646 9.826 10.892 1.00 0.00 H new ATOM 0 HB3 SER A 18 1.609 8.503 10.396 1.00 0.00 H new ATOM 0 HG SER A 18 3.454 7.737 9.586 1.00 0.00 H new ATOM 195 N GLU A 19 1.970 9.388 6.877 1.00 0.00 N ATOM 196 CA GLU A 19 1.736 9.120 5.439 1.00 0.00 C ATOM 197 C GLU A 19 0.981 10.275 4.754 1.00 0.00 C ATOM 198 O GLU A 19 -0.126 10.643 5.138 1.00 0.00 O ATOM 199 CB GLU A 19 1.116 7.745 5.100 1.00 0.00 C ATOM 200 CG GLU A 19 -0.410 7.616 5.249 1.00 0.00 C ATOM 201 CD GLU A 19 -0.994 6.288 4.766 1.00 0.00 C ATOM 202 OE1 GLU A 19 -0.529 5.805 3.714 1.00 0.00 O ATOM 203 OE2 GLU A 19 -1.907 5.779 5.450 1.00 0.00 O ATOM 0 H GLU A 19 2.963 9.484 7.091 1.00 0.00 H new ATOM 0 HA GLU A 19 2.740 9.064 5.019 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.379 7.498 4.071 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.584 6.995 5.737 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.671 7.750 6.299 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.884 8.427 4.697 1.00 0.00 H new ATOM 205 N ALA A 20 1.660 10.846 3.763 1.00 0.00 N ATOM 206 CA ALA A 20 1.173 11.960 2.917 1.00 0.00 C ATOM 207 C ALA A 20 2.174 12.220 1.771 1.00 0.00 C ATOM 208 O ALA A 20 2.261 11.374 0.889 1.00 0.00 O ATOM 209 CB ALA A 20 0.852 13.229 3.728 1.00 0.00 C ATOM 0 H ALA A 20 2.600 10.543 3.508 1.00 0.00 H new ATOM 0 HA ALA A 20 0.221 11.662 2.477 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.500 14.011 3.056 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.078 13.006 4.462 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.751 13.570 4.241 1.00 0.00 H new ATOM 211 N LYS A 21 3.121 13.142 1.971 1.00 0.00 N ATOM 212 CA LYS A 21 4.104 13.561 0.944 1.00 0.00 C ATOM 213 C LYS A 21 4.937 12.409 0.349 1.00 0.00 C ATOM 214 O LYS A 21 4.586 11.905 -0.711 1.00 0.00 O ATOM 215 CB LYS A 21 4.990 14.687 1.484 1.00 0.00 C ATOM 216 CG LYS A 21 4.904 15.915 0.575 1.00 0.00 C ATOM 217 CD LYS A 21 3.573 16.652 0.747 1.00 0.00 C ATOM 218 CE LYS A 21 3.329 17.653 -0.385 1.00 0.00 C ATOM 219 NZ LYS A 21 2.952 16.967 -1.631 1.00 0.00 N ATOM 0 H LYS A 21 3.235 13.630 2.859 1.00 0.00 H new ATOM 0 HA LYS A 21 3.522 13.937 0.102 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.678 14.952 2.494 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.023 14.346 1.549 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.727 16.593 0.800 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.019 15.608 -0.464 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.758 15.929 0.775 1.00 0.00 H new ATOM 0 HD3 LYS A 21 3.568 17.176 1.703 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.540 18.347 -0.096 1.00 0.00 H new ATOM 0 HE3 LYS A 21 4.229 18.245 -0.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 2.630 17.667 -2.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 3.775 16.455 -2.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 2.184 16.293 -1.437 1.00 0.00 H new ATOM 224 N TYR A 22 5.918 11.917 1.109 1.00 0.00 N ATOM 225 CA TYR A 22 6.753 10.754 0.720 1.00 0.00 C ATOM 226 C TYR A 22 5.934 9.516 0.285 1.00 0.00 C ATOM 227 O TYR A 22 6.242 8.895 -0.726 1.00 0.00 O ATOM 228 CB TYR A 22 7.730 10.404 1.851 1.00 0.00 C ATOM 229 CG TYR A 22 7.135 9.638 3.042 1.00 0.00 C ATOM 230 CD1 TYR A 22 5.951 10.031 3.657 1.00 0.00 C ATOM 231 CD2 TYR A 22 7.709 8.421 3.387 1.00 0.00 C ATOM 232 CE1 TYR A 22 5.336 9.199 4.578 1.00 0.00 C ATOM 233 CE2 TYR A 22 7.094 7.588 4.311 1.00 0.00 C ATOM 234 CZ TYR A 22 5.911 7.987 4.927 1.00 0.00 C ATOM 235 OH TYR A 22 5.394 7.352 6.009 1.00 0.00 O ATOM 0 H TYR A 22 6.165 12.309 2.018 1.00 0.00 H new ATOM 0 HA TYR A 22 7.315 11.055 -0.164 1.00 0.00 H new ATOM 0 HB2 TYR A 22 8.542 9.810 1.432 1.00 0.00 H new ATOM 0 HB3 TYR A 22 8.171 11.329 2.223 1.00 0.00 H new ATOM 0 HD1 TYR A 22 5.510 10.987 3.416 1.00 0.00 H new ATOM 0 HD2 TYR A 22 8.641 8.121 2.932 1.00 0.00 H new ATOM 0 HE1 TYR A 22 4.401 9.497 5.028 1.00 0.00 H new ATOM 0 HE2 TYR A 22 7.533 6.631 4.552 1.00 0.00 H new ATOM 0 HH TYR A 22 5.481 6.383 5.892 1.00 0.00 H new ATOM 242 N TYR A 23 4.776 9.341 0.920 1.00 0.00 N ATOM 243 CA TYR A 23 3.812 8.278 0.577 1.00 0.00 C ATOM 244 C TYR A 23 3.344 8.452 -0.883 1.00 0.00 C ATOM 245 O TYR A 23 3.867 7.766 -1.750 1.00 0.00 O ATOM 246 CB TYR A 23 2.654 8.243 1.582 1.00 0.00 C ATOM 247 CG TYR A 23 1.724 7.044 1.366 1.00 0.00 C ATOM 248 CD1 TYR A 23 2.159 5.762 1.675 1.00 0.00 C ATOM 249 CD2 TYR A 23 0.429 7.232 0.899 1.00 0.00 C ATOM 250 CE1 TYR A 23 1.313 4.676 1.496 1.00 0.00 C ATOM 251 CE2 TYR A 23 -0.422 6.147 0.737 1.00 0.00 C ATOM 252 CZ TYR A 23 0.032 4.862 1.002 1.00 0.00 C ATOM 253 OH TYR A 23 -0.732 3.779 0.712 1.00 0.00 O ATOM 0 H TYR A 23 4.472 9.933 1.693 1.00 0.00 H new ATOM 0 HA TYR A 23 4.298 7.305 0.647 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.057 8.208 2.594 1.00 0.00 H new ATOM 0 HB3 TYR A 23 2.078 9.165 1.500 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.158 5.609 2.056 1.00 0.00 H new ATOM 0 HD2 TYR A 23 0.083 8.227 0.661 1.00 0.00 H new ATOM 0 HE1 TYR A 23 1.655 3.682 1.743 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -1.438 6.303 0.405 1.00 0.00 H new ATOM 0 HH TYR A 23 -1.350 4.000 -0.015 1.00 0.00 H new ATOM 260 N LEU A 24 2.628 9.537 -1.168 1.00 0.00 N ATOM 261 CA LEU A 24 2.157 9.822 -2.541 1.00 0.00 C ATOM 262 C LEU A 24 3.315 9.933 -3.562 1.00 0.00 C ATOM 263 O LEU A 24 3.343 9.160 -4.507 1.00 0.00 O ATOM 264 CB LEU A 24 1.187 11.014 -2.569 1.00 0.00 C ATOM 265 CG LEU A 24 1.769 12.401 -2.264 1.00 0.00 C ATOM 266 CD1 LEU A 24 2.183 13.125 -3.549 1.00 0.00 C ATOM 267 CD2 LEU A 24 0.751 13.239 -1.491 1.00 0.00 C ATOM 0 H LEU A 24 2.357 10.237 -0.477 1.00 0.00 H new ATOM 0 HA LEU A 24 1.582 8.957 -2.872 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.726 11.051 -3.556 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.390 10.817 -1.852 1.00 0.00 H new ATOM 0 HG LEU A 24 2.661 12.266 -1.652 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.591 14.104 -3.299 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.940 12.538 -4.070 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.313 13.248 -4.194 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.174 14.221 -1.280 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.154 13.354 -2.088 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.506 12.740 -0.553 1.00 0.00 H new ATOM 269 N ASN A 25 4.386 10.614 -3.172 1.00 0.00 N ATOM 270 CA ASN A 25 5.589 10.777 -4.021 1.00 0.00 C ATOM 271 C ASN A 25 6.299 9.481 -4.466 1.00 0.00 C ATOM 272 O ASN A 25 6.994 9.499 -5.477 1.00 0.00 O ATOM 273 CB ASN A 25 6.584 11.720 -3.348 1.00 0.00 C ATOM 274 CG ASN A 25 6.238 13.174 -3.672 1.00 0.00 C ATOM 275 OD1 ASN A 25 5.516 13.863 -2.963 1.00 0.00 O ATOM 276 ND2 ASN A 25 6.755 13.639 -4.786 1.00 0.00 N ATOM 0 H ASN A 25 4.458 11.072 -2.264 1.00 0.00 H new ATOM 0 HA ASN A 25 5.206 11.202 -4.949 1.00 0.00 H new ATOM 0 HB2 ASN A 25 6.568 11.567 -2.269 1.00 0.00 H new ATOM 0 HB3 ASN A 25 7.595 11.495 -3.687 1.00 0.00 H new ATOM 0 HD21 ASN A 25 6.558 14.596 -5.079 1.00 0.00 H new ATOM 0 HD22 ASN A 25 7.353 13.043 -5.358 1.00 0.00 H new ATOM 280 N ILE A 26 6.198 8.433 -3.654 1.00 0.00 N ATOM 281 CA ILE A 26 6.826 7.130 -3.979 1.00 0.00 C ATOM 282 C ILE A 26 5.821 5.990 -4.297 1.00 0.00 C ATOM 283 O ILE A 26 6.165 5.093 -5.060 1.00 0.00 O ATOM 284 CB ILE A 26 7.928 6.826 -2.935 1.00 0.00 C ATOM 285 CG1 ILE A 26 9.079 7.832 -3.048 1.00 0.00 C ATOM 286 CG2 ILE A 26 8.548 5.427 -3.041 1.00 0.00 C ATOM 287 CD1 ILE A 26 8.964 9.067 -2.148 1.00 0.00 C ATOM 0 H ILE A 26 5.693 8.447 -2.768 1.00 0.00 H new ATOM 0 HA ILE A 26 7.329 7.202 -4.943 1.00 0.00 H new ATOM 0 HB ILE A 26 7.409 6.895 -1.979 1.00 0.00 H new ATOM 0 HG12 ILE A 26 10.012 7.319 -2.814 1.00 0.00 H new ATOM 0 HG13 ILE A 26 9.149 8.164 -4.084 1.00 0.00 H new ATOM 0 HG21 ILE A 26 9.309 5.307 -2.270 1.00 0.00 H new ATOM 0 HG22 ILE A 26 7.772 4.674 -2.906 1.00 0.00 H new ATOM 0 HG23 ILE A 26 9.005 5.305 -4.023 1.00 0.00 H new ATOM 0 HD11 ILE A 26 9.828 9.713 -2.305 1.00 0.00 H new ATOM 0 HD12 ILE A 26 8.053 9.613 -2.394 1.00 0.00 H new ATOM 0 HD13 ILE A 26 8.930 8.755 -1.104 1.00 0.00 H new ATOM 289 N ILE A 27 4.581 6.065 -3.808 1.00 0.00 N ATOM 290 CA ILE A 27 3.544 5.048 -4.130 1.00 0.00 C ATOM 291 C ILE A 27 2.428 5.497 -5.107 1.00 0.00 C ATOM 292 O ILE A 27 1.934 4.655 -5.854 1.00 0.00 O ATOM 293 CB ILE A 27 2.973 4.360 -2.867 1.00 0.00 C ATOM 294 CG1 ILE A 27 2.177 3.093 -3.243 1.00 0.00 C ATOM 295 CG2 ILE A 27 2.151 5.323 -1.997 1.00 0.00 C ATOM 296 CD1 ILE A 27 1.640 2.238 -2.087 1.00 0.00 C ATOM 0 H ILE A 27 4.259 6.810 -3.190 1.00 0.00 H new ATOM 0 HA ILE A 27 4.098 4.301 -4.698 1.00 0.00 H new ATOM 0 HB ILE A 27 3.819 4.049 -2.254 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.332 3.395 -3.862 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.816 2.463 -3.862 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.773 4.792 -1.124 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.783 6.150 -1.673 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.313 5.712 -2.576 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.101 1.380 -2.489 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.472 1.890 -1.475 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.965 2.836 -1.475 1.00 0.00 H new ATOM 298 N GLU A 28 2.059 6.782 -5.129 1.00 0.00 N ATOM 299 CA GLU A 28 0.893 7.280 -5.905 1.00 0.00 C ATOM 300 C GLU A 28 1.064 7.022 -7.406 1.00 0.00 C ATOM 301 O GLU A 28 1.847 7.673 -8.095 1.00 0.00 O ATOM 302 CB GLU A 28 0.635 8.769 -5.653 1.00 0.00 C ATOM 303 CG GLU A 28 -0.649 9.301 -6.294 1.00 0.00 C ATOM 304 CD GLU A 28 -0.560 10.822 -6.425 1.00 0.00 C ATOM 305 OE1 GLU A 28 -0.900 11.502 -5.431 1.00 0.00 O ATOM 306 OE2 GLU A 28 -0.156 11.275 -7.517 1.00 0.00 O ATOM 0 H GLU A 28 2.551 7.513 -4.615 1.00 0.00 H new ATOM 0 HA GLU A 28 0.025 6.721 -5.556 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.589 8.941 -4.578 1.00 0.00 H new ATOM 0 HB3 GLU A 28 1.481 9.342 -6.032 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.793 8.848 -7.275 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.512 9.027 -5.687 1.00 0.00 H new ATOM 308 N GLY A 29 0.242 6.077 -7.855 1.00 0.00 N ATOM 309 CA GLY A 29 0.314 5.550 -9.223 1.00 0.00 C ATOM 310 C GLY A 29 0.791 4.095 -9.181 1.00 0.00 C ATOM 311 O GLY A 29 0.495 3.359 -8.240 1.00 0.00 O ATOM 0 H GLY A 29 -0.491 5.654 -7.287 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.664 5.610 -9.700 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.998 6.152 -9.821 1.00 0.00 H new ATOM 313 N GLU A 30 1.635 3.777 -10.155 1.00 0.00 N ATOM 314 CA GLU A 30 2.062 2.393 -10.414 1.00 0.00 C ATOM 315 C GLU A 30 3.576 2.189 -10.494 1.00 0.00 C ATOM 316 O GLU A 30 4.294 2.934 -11.157 1.00 0.00 O ATOM 317 CB GLU A 30 1.364 1.743 -11.623 1.00 0.00 C ATOM 318 CG GLU A 30 1.188 2.612 -12.879 1.00 0.00 C ATOM 319 CD GLU A 30 -0.181 3.306 -12.967 1.00 0.00 C ATOM 320 OE1 GLU A 30 -0.653 3.852 -11.943 1.00 0.00 O ATOM 321 OE2 GLU A 30 -0.750 3.280 -14.078 1.00 0.00 O ATOM 0 H GLU A 30 2.045 4.462 -10.789 1.00 0.00 H new ATOM 0 HA GLU A 30 1.728 1.871 -9.517 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.930 0.854 -11.903 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.378 1.406 -11.304 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.971 3.370 -12.897 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.327 1.989 -13.763 1.00 0.00 H new ATOM 323 N TRP A 31 4.009 1.259 -9.652 1.00 0.00 N ATOM 324 CA TRP A 31 5.354 0.647 -9.702 1.00 0.00 C ATOM 325 C TRP A 31 5.464 -0.171 -11.002 1.00 0.00 C ATOM 326 O TRP A 31 4.452 -0.658 -11.498 1.00 0.00 O ATOM 327 CB TRP A 31 5.524 -0.288 -8.495 1.00 0.00 C ATOM 328 CG TRP A 31 5.406 0.435 -7.147 1.00 0.00 C ATOM 329 CD1 TRP A 31 4.292 0.939 -6.623 1.00 0.00 C ATOM 330 CD2 TRP A 31 6.463 0.873 -6.351 1.00 0.00 C ATOM 331 NE1 TRP A 31 4.586 1.695 -5.564 1.00 0.00 N ATOM 332 CE2 TRP A 31 5.893 1.681 -5.378 1.00 0.00 C ATOM 333 CE3 TRP A 31 7.828 0.676 -6.395 1.00 0.00 C ATOM 334 CZ2 TRP A 31 6.714 2.325 -4.452 1.00 0.00 C ATOM 335 CZ3 TRP A 31 8.650 1.326 -5.473 1.00 0.00 C ATOM 336 CH2 TRP A 31 8.085 2.162 -4.519 1.00 0.00 C ATOM 0 H TRP A 31 3.431 0.893 -8.895 1.00 0.00 H new ATOM 0 HA TRP A 31 6.125 1.417 -9.676 1.00 0.00 H new ATOM 0 HB2 TRP A 31 4.771 -1.075 -8.545 1.00 0.00 H new ATOM 0 HB3 TRP A 31 6.498 -0.774 -8.555 1.00 0.00 H new ATOM 0 HD1 TRP A 31 3.295 0.762 -7.000 1.00 0.00 H new ATOM 0 HE1 TRP A 31 3.911 2.201 -4.991 1.00 0.00 H new ATOM 0 HE3 TRP A 31 8.258 0.022 -7.139 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 6.280 2.949 -3.685 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 9.720 1.180 -5.501 1.00 0.00 H new ATOM 0 HH2 TRP A 31 8.722 2.689 -3.824 1.00 0.00 H new ATOM 344 N HIS A 32 6.668 -0.216 -11.576 1.00 0.00 N ATOM 345 CA HIS A 32 7.015 -0.997 -12.795 1.00 0.00 C ATOM 346 C HIS A 32 6.380 -0.461 -14.105 1.00 0.00 C ATOM 347 O HIS A 32 5.289 0.107 -14.078 1.00 0.00 O ATOM 348 CB HIS A 32 6.657 -2.490 -12.646 1.00 0.00 C ATOM 349 CG HIS A 32 7.226 -3.154 -11.385 1.00 0.00 C ATOM 350 ND1 HIS A 32 6.617 -3.221 -10.205 1.00 0.00 N ATOM 351 CD2 HIS A 32 8.350 -3.860 -11.301 1.00 0.00 C ATOM 352 CE1 HIS A 32 7.357 -3.972 -9.395 1.00 0.00 C ATOM 353 NE2 HIS A 32 8.427 -4.372 -10.076 1.00 0.00 N ATOM 0 H HIS A 32 7.464 0.302 -11.203 1.00 0.00 H new ATOM 0 HA HIS A 32 8.095 -0.876 -12.883 1.00 0.00 H new ATOM 0 HB2 HIS A 32 5.572 -2.592 -12.638 1.00 0.00 H new ATOM 0 HB3 HIS A 32 7.021 -3.028 -13.521 1.00 0.00 H new ATOM 0 HD1 HIS A 32 5.733 -2.773 -9.963 1.00 0.00 H new ATOM 0 HD2 HIS A 32 9.075 -3.994 -12.091 1.00 0.00 H new ATOM 0 HE1 HIS A 32 7.130 -4.214 -8.367 1.00 0.00 H new ATOM 356 N PRO A 33 7.082 -0.573 -15.248 1.00 0.00 N ATOM 357 CA PRO A 33 6.551 -0.179 -16.573 1.00 0.00 C ATOM 358 C PRO A 33 5.513 -1.170 -17.136 1.00 0.00 C ATOM 359 O PRO A 33 5.369 -2.285 -16.638 1.00 0.00 O ATOM 360 CB PRO A 33 7.792 -0.070 -17.463 1.00 0.00 C ATOM 361 CG PRO A 33 8.737 -1.114 -16.874 1.00 0.00 C ATOM 362 CD PRO A 33 8.496 -0.986 -15.368 1.00 0.00 C ATOM 0 HA PRO A 33 5.997 0.758 -16.515 1.00 0.00 H new ATOM 0 HB2 PRO A 33 7.559 -0.281 -18.507 1.00 0.00 H new ATOM 0 HB3 PRO A 33 8.225 0.930 -17.429 1.00 0.00 H new ATOM 0 HG2 PRO A 33 8.507 -2.116 -17.236 1.00 0.00 H new ATOM 0 HG3 PRO A 33 9.776 -0.911 -17.135 1.00 0.00 H new ATOM 0 HD2 PRO A 33 8.677 -1.931 -14.856 1.00 0.00 H new ATOM 0 HD3 PRO A 33 9.163 -0.249 -14.921 1.00 0.00 H new ATOM 363 N GLN A 34 5.009 -0.856 -18.330 1.00 0.00 N ATOM 364 CA GLN A 34 3.916 -1.635 -18.957 1.00 0.00 C ATOM 365 C GLN A 34 4.384 -2.464 -20.175 1.00 0.00 C ATOM 366 O GLN A 34 3.803 -2.426 -21.259 1.00 0.00 O ATOM 367 CB GLN A 34 2.737 -0.718 -19.323 1.00 0.00 C ATOM 368 CG GLN A 34 2.253 0.166 -18.163 1.00 0.00 C ATOM 369 CD GLN A 34 0.773 0.569 -18.202 1.00 0.00 C ATOM 370 OE1 GLN A 34 0.184 0.897 -17.186 1.00 0.00 O ATOM 371 NE2 GLN A 34 0.111 0.546 -19.341 1.00 0.00 N ATOM 0 H GLN A 34 5.334 -0.068 -18.891 1.00 0.00 H new ATOM 0 HA GLN A 34 3.578 -2.357 -18.214 1.00 0.00 H new ATOM 0 HB2 GLN A 34 3.031 -0.079 -20.156 1.00 0.00 H new ATOM 0 HB3 GLN A 34 1.906 -1.332 -19.670 1.00 0.00 H new ATOM 0 HG2 GLN A 34 2.442 -0.360 -17.227 1.00 0.00 H new ATOM 0 HG3 GLN A 34 2.857 1.073 -18.146 1.00 0.00 H new ATOM 0 HE21 GLN A 34 0.586 0.274 -20.202 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -0.877 0.800 -19.362 1.00 0.00 H new ATOM 375 N ASP A 35 5.369 -3.327 -19.929 1.00 0.00 N ATOM 376 CA ASP A 35 5.948 -4.195 -20.983 1.00 0.00 C ATOM 377 C ASP A 35 5.756 -5.712 -20.803 1.00 0.00 C ATOM 378 O ASP A 35 6.500 -6.520 -21.353 1.00 0.00 O ATOM 379 CB ASP A 35 7.422 -3.843 -21.207 1.00 0.00 C ATOM 380 CG ASP A 35 7.558 -2.694 -22.209 1.00 0.00 C ATOM 381 OD1 ASP A 35 7.527 -1.535 -21.739 1.00 0.00 O ATOM 382 OD2 ASP A 35 7.687 -3.004 -23.412 1.00 0.00 O ATOM 0 H ASP A 35 5.792 -3.452 -19.009 1.00 0.00 H new ATOM 0 HA ASP A 35 5.363 -3.972 -21.875 1.00 0.00 H new ATOM 0 HB2 ASP A 35 7.882 -3.562 -20.260 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.958 -4.718 -21.575 1.00 0.00 H new ATOM 384 N LEU A 36 4.646 -6.070 -20.161 1.00 0.00 N ATOM 385 CA LEU A 36 4.266 -7.474 -19.900 1.00 0.00 C ATOM 386 C LEU A 36 2.790 -7.530 -19.470 1.00 0.00 C ATOM 387 O LEU A 36 2.473 -7.550 -18.282 1.00 0.00 O ATOM 388 CB LEU A 36 5.187 -8.049 -18.808 1.00 0.00 C ATOM 389 CG LEU A 36 5.093 -9.572 -18.656 1.00 0.00 C ATOM 390 CD1 LEU A 36 5.841 -10.287 -19.787 1.00 0.00 C ATOM 391 CD2 LEU A 36 5.628 -9.995 -17.287 1.00 0.00 C ATOM 0 H LEU A 36 3.973 -5.394 -19.800 1.00 0.00 H new ATOM 0 HA LEU A 36 4.382 -8.074 -20.802 1.00 0.00 H new ATOM 0 HB2 LEU A 36 6.218 -7.779 -19.037 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.939 -7.582 -17.855 1.00 0.00 H new ATOM 0 HG LEU A 36 4.045 -9.864 -18.724 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.757 -11.366 -19.654 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.406 -10.005 -20.746 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.892 -9.999 -19.767 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.557 -11.078 -17.188 1.00 0.00 H new ATOM 0 HD22 LEU A 36 6.670 -9.689 -17.193 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.038 -9.520 -16.503 1.00 0.00 H new ATOM 393 N ASN A 37 1.913 -7.387 -20.470 1.00 0.00 N ATOM 394 CA ASN A 37 0.431 -7.366 -20.343 1.00 0.00 C ATOM 395 C ASN A 37 -0.203 -6.198 -19.554 1.00 0.00 C ATOM 396 O ASN A 37 -1.314 -5.780 -19.865 1.00 0.00 O ATOM 397 CB ASN A 37 -0.098 -8.718 -19.840 1.00 0.00 C ATOM 398 CG ASN A 37 0.005 -9.808 -20.912 1.00 0.00 C ATOM 399 OD1 ASN A 37 -0.980 -10.323 -21.418 1.00 0.00 O ATOM 400 ND2 ASN A 37 1.205 -10.247 -21.229 1.00 0.00 N ATOM 0 H ASN A 37 2.219 -7.277 -21.437 1.00 0.00 H new ATOM 0 HA ASN A 37 0.103 -7.178 -21.365 1.00 0.00 H new ATOM 0 HB2 ASN A 37 0.465 -9.022 -18.958 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -1.138 -8.609 -19.532 1.00 0.00 H new ATOM 0 HD21 ASN A 37 1.308 -11.013 -21.894 1.00 0.00 H new ATOM 0 HD22 ASN A 37 2.031 -9.821 -20.810 1.00 0.00 H new ATOM 404 N ASP A 38 0.554 -5.679 -18.587 1.00 0.00 N ATOM 405 CA ASP A 38 0.241 -4.567 -17.661 1.00 0.00 C ATOM 406 C ASP A 38 -0.620 -5.050 -16.487 1.00 0.00 C ATOM 407 O ASP A 38 -1.842 -5.153 -16.568 1.00 0.00 O ATOM 408 CB ASP A 38 -0.373 -3.319 -18.326 1.00 0.00 C ATOM 409 CG ASP A 38 -0.592 -2.182 -17.319 1.00 0.00 C ATOM 410 OD1 ASP A 38 0.318 -2.003 -16.477 1.00 0.00 O ATOM 411 OD2 ASP A 38 -1.652 -1.529 -17.415 1.00 0.00 O ATOM 0 H ASP A 38 1.486 -6.052 -18.408 1.00 0.00 H new ATOM 0 HA ASP A 38 1.209 -4.235 -17.284 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.283 -2.974 -19.126 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.325 -3.584 -18.786 1.00 0.00 H new ATOM 413 N SER A 39 0.079 -5.259 -15.376 1.00 0.00 N ATOM 414 CA SER A 39 -0.511 -5.789 -14.127 1.00 0.00 C ATOM 415 C SER A 39 0.261 -5.462 -12.822 1.00 0.00 C ATOM 416 O SER A 39 0.261 -6.281 -11.899 1.00 0.00 O ATOM 417 CB SER A 39 -0.667 -7.309 -14.305 1.00 0.00 C ATOM 418 OG SER A 39 0.611 -7.917 -14.520 1.00 0.00 O ATOM 0 H SER A 39 1.078 -5.068 -15.305 1.00 0.00 H new ATOM 0 HA SER A 39 -1.467 -5.285 -13.984 1.00 0.00 H new ATOM 0 HB2 SER A 39 -1.138 -7.739 -13.421 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.324 -7.518 -15.150 1.00 0.00 H new ATOM 0 HG SER A 39 0.499 -8.884 -14.630 1.00 0.00 H new ATOM 421 N PRO A 40 0.806 -4.248 -12.639 1.00 0.00 N ATOM 422 CA PRO A 40 1.677 -3.942 -11.493 1.00 0.00 C ATOM 423 C PRO A 40 0.867 -3.454 -10.271 1.00 0.00 C ATOM 424 O PRO A 40 -0.293 -3.832 -10.094 1.00 0.00 O ATOM 425 CB PRO A 40 2.642 -2.896 -12.064 1.00 0.00 C ATOM 426 CG PRO A 40 2.091 -2.472 -13.429 1.00 0.00 C ATOM 427 CD PRO A 40 0.671 -3.033 -13.457 1.00 0.00 C ATOM 0 HA PRO A 40 2.210 -4.807 -11.099 1.00 0.00 H new ATOM 0 HB2 PRO A 40 2.719 -2.038 -11.396 1.00 0.00 H new ATOM 0 HB3 PRO A 40 3.644 -3.312 -12.166 1.00 0.00 H new ATOM 0 HG2 PRO A 40 2.092 -1.387 -13.538 1.00 0.00 H new ATOM 0 HG3 PRO A 40 2.693 -2.875 -14.243 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -0.052 -2.335 -13.035 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.341 -3.258 -14.471 1.00 0.00 H new ATOM 428 N LEU A 41 1.484 -2.582 -9.475 1.00 0.00 N ATOM 429 CA LEU A 41 0.938 -2.040 -8.216 1.00 0.00 C ATOM 430 C LEU A 41 0.582 -0.553 -8.374 1.00 0.00 C ATOM 431 O LEU A 41 1.462 0.304 -8.396 1.00 0.00 O ATOM 432 CB LEU A 41 1.985 -2.336 -7.123 1.00 0.00 C ATOM 433 CG LEU A 41 1.987 -1.504 -5.829 1.00 0.00 C ATOM 434 CD1 LEU A 41 0.662 -1.554 -5.066 1.00 0.00 C ATOM 435 CD2 LEU A 41 3.121 -1.992 -4.924 1.00 0.00 C ATOM 0 H LEU A 41 2.411 -2.216 -9.690 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.003 -2.510 -7.931 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.873 -3.382 -6.838 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.970 -2.234 -7.578 1.00 0.00 H new ATOM 0 HG LEU A 41 2.135 -0.464 -6.119 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.738 -0.945 -4.165 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.137 -1.168 -5.699 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.440 -2.585 -4.789 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.130 -1.407 -4.004 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.968 -3.044 -4.684 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.074 -1.873 -5.439 1.00 0.00 H new ATOM 437 N LYS A 42 -0.713 -0.312 -8.570 1.00 0.00 N ATOM 438 CA LYS A 42 -1.302 1.032 -8.740 1.00 0.00 C ATOM 439 C LYS A 42 -2.267 1.424 -7.613 1.00 0.00 C ATOM 440 O LYS A 42 -3.171 0.682 -7.226 1.00 0.00 O ATOM 441 CB LYS A 42 -1.975 1.249 -10.106 1.00 0.00 C ATOM 442 CG LYS A 42 -2.892 0.117 -10.589 1.00 0.00 C ATOM 443 CD LYS A 42 -2.214 -0.728 -11.675 1.00 0.00 C ATOM 444 CE LYS A 42 -2.284 -0.066 -13.056 1.00 0.00 C ATOM 445 NZ LYS A 42 -3.598 -0.272 -13.687 1.00 0.00 N ATOM 0 H LYS A 42 -1.406 -1.059 -8.618 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.439 1.696 -8.690 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.559 2.168 -10.060 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.196 1.403 -10.853 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -3.162 -0.519 -9.746 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.818 0.539 -10.979 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -1.171 -0.892 -11.406 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -2.690 -1.708 -11.720 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -2.089 1.002 -12.959 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -1.503 -0.475 -13.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -3.706 0.385 -14.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -3.668 -1.251 -14.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -4.349 -0.096 -12.990 1.00 0.00 H new ATOM 450 N PHE A 43 -1.955 2.573 -7.031 1.00 0.00 N ATOM 451 CA PHE A 43 -2.734 3.166 -5.931 1.00 0.00 C ATOM 452 C PHE A 43 -3.134 4.634 -6.186 1.00 0.00 C ATOM 453 O PHE A 43 -2.320 5.453 -6.614 1.00 0.00 O ATOM 454 CB PHE A 43 -1.930 2.901 -4.647 1.00 0.00 C ATOM 455 CG PHE A 43 -1.829 4.076 -3.679 1.00 0.00 C ATOM 456 CD1 PHE A 43 -0.890 5.060 -3.942 1.00 0.00 C ATOM 457 CD2 PHE A 43 -2.710 4.214 -2.620 1.00 0.00 C ATOM 458 CE1 PHE A 43 -0.838 6.209 -3.169 1.00 0.00 C ATOM 459 CE2 PHE A 43 -2.630 5.353 -1.835 1.00 0.00 C ATOM 460 CZ PHE A 43 -1.722 6.362 -2.118 1.00 0.00 C ATOM 0 H PHE A 43 -1.147 3.133 -7.305 1.00 0.00 H new ATOM 0 HA PHE A 43 -3.715 2.700 -5.835 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -2.383 2.059 -4.123 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -0.922 2.596 -4.927 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -0.193 4.931 -4.756 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -3.444 3.450 -2.410 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -0.112 6.979 -3.386 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -3.288 5.457 -0.985 1.00 0.00 H new ATOM 0 HZ PHE A 43 -1.706 7.262 -1.521 1.00 0.00 H new ATOM 467 N ILE A 44 -4.384 4.927 -5.828 1.00 0.00 N ATOM 468 CA ILE A 44 -5.017 6.257 -5.954 1.00 0.00 C ATOM 469 C ILE A 44 -5.478 6.829 -4.587 1.00 0.00 C ATOM 470 O ILE A 44 -5.428 6.162 -3.550 1.00 0.00 O ATOM 471 CB ILE A 44 -6.113 6.165 -7.048 1.00 0.00 C ATOM 472 CG1 ILE A 44 -6.524 7.522 -7.642 1.00 0.00 C ATOM 473 CG2 ILE A 44 -7.363 5.401 -6.591 1.00 0.00 C ATOM 474 CD1 ILE A 44 -5.405 8.194 -8.445 1.00 0.00 C ATOM 0 H ILE A 44 -5.011 4.229 -5.429 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.292 7.001 -6.283 1.00 0.00 H new ATOM 0 HB ILE A 44 -5.630 5.594 -7.841 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -7.391 7.381 -8.287 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -6.832 8.186 -6.835 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -8.090 5.373 -7.403 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -7.087 4.383 -6.316 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -7.801 5.903 -5.729 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -5.760 9.147 -8.837 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -4.545 8.366 -7.798 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -5.113 7.548 -9.273 1.00 0.00 H new ATOM 476 N LEU A 45 -6.072 8.020 -4.655 1.00 0.00 N ATOM 477 CA LEU A 45 -6.420 8.877 -3.502 1.00 0.00 C ATOM 478 C LEU A 45 -7.945 9.073 -3.448 1.00 0.00 C ATOM 479 O LEU A 45 -8.594 9.259 -4.481 1.00 0.00 O ATOM 480 CB LEU A 45 -5.802 10.267 -3.711 1.00 0.00 C ATOM 481 CG LEU A 45 -4.349 10.282 -4.202 1.00 0.00 C ATOM 482 CD1 LEU A 45 -4.096 11.591 -4.947 1.00 0.00 C ATOM 483 CD2 LEU A 45 -3.356 10.142 -3.045 1.00 0.00 C ATOM 0 H LEU A 45 -6.338 8.439 -5.546 1.00 0.00 H new ATOM 0 HA LEU A 45 -6.054 8.408 -2.589 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.414 10.812 -4.429 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.853 10.813 -2.769 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.199 9.430 -4.865 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.066 11.615 -5.302 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.774 11.663 -5.797 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.267 12.431 -4.274 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.338 10.157 -3.435 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.490 10.970 -2.348 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.532 9.199 -2.527 1.00 0.00 H new ATOM 485 N SER A 46 -8.496 8.939 -2.242 1.00 0.00 N ATOM 486 CA SER A 46 -9.911 9.237 -1.915 1.00 0.00 C ATOM 487 C SER A 46 -10.874 8.437 -2.822 1.00 0.00 C ATOM 488 O SER A 46 -10.555 7.333 -3.278 1.00 0.00 O ATOM 489 CB SER A 46 -10.132 10.762 -1.968 1.00 0.00 C ATOM 490 OG SER A 46 -11.398 11.137 -1.415 1.00 0.00 O ATOM 0 H SER A 46 -7.965 8.612 -1.435 1.00 0.00 H new ATOM 0 HA SER A 46 -10.138 8.911 -0.900 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.334 11.264 -1.421 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.072 11.102 -3.002 1.00 0.00 H new ATOM 0 HG SER A 46 -11.501 12.110 -1.465 1.00 0.00 H new ATOM 493 N THR A 47 -12.039 9.016 -3.106 1.00 0.00 N ATOM 494 CA THR A 47 -13.049 8.504 -4.060 1.00 0.00 C ATOM 495 C THR A 47 -13.524 7.107 -3.591 1.00 0.00 C ATOM 496 O THR A 47 -13.506 6.805 -2.398 1.00 0.00 O ATOM 497 CB THR A 47 -12.465 8.492 -5.496 1.00 0.00 C ATOM 498 OG1 THR A 47 -11.524 9.554 -5.704 1.00 0.00 O ATOM 499 CG2 THR A 47 -13.576 8.663 -6.537 1.00 0.00 C ATOM 0 H THR A 47 -12.327 9.890 -2.666 1.00 0.00 H new ATOM 0 HA THR A 47 -13.921 9.158 -4.084 1.00 0.00 H new ATOM 0 HB THR A 47 -11.966 7.530 -5.610 1.00 0.00 H new ATOM 0 HG1 THR A 47 -10.643 9.281 -5.372 1.00 0.00 H new ATOM 0 HG21 THR A 47 -13.142 8.652 -7.537 1.00 0.00 H new ATOM 0 HG22 THR A 47 -14.292 7.847 -6.442 1.00 0.00 H new ATOM 0 HG23 THR A 47 -14.085 9.613 -6.373 1.00 0.00 H new ATOM 502 N SER A 48 -14.024 6.276 -4.510 1.00 0.00 N ATOM 503 CA SER A 48 -14.412 4.864 -4.254 1.00 0.00 C ATOM 504 C SER A 48 -15.410 4.700 -3.079 1.00 0.00 C ATOM 505 O SER A 48 -15.353 3.736 -2.316 1.00 0.00 O ATOM 506 CB SER A 48 -13.156 4.001 -4.004 1.00 0.00 C ATOM 507 OG SER A 48 -12.069 4.318 -4.886 1.00 0.00 O ATOM 0 H SER A 48 -14.178 6.561 -5.477 1.00 0.00 H new ATOM 0 HA SER A 48 -14.929 4.522 -5.151 1.00 0.00 H new ATOM 0 HB2 SER A 48 -12.830 4.135 -2.973 1.00 0.00 H new ATOM 0 HB3 SER A 48 -13.416 2.949 -4.122 1.00 0.00 H new ATOM 0 HG SER A 48 -11.439 3.568 -4.912 1.00 0.00 H new ATOM 510 N ASP A 49 -16.322 5.669 -2.934 1.00 0.00 N ATOM 511 CA ASP A 49 -17.266 5.811 -1.798 1.00 0.00 C ATOM 512 C ASP A 49 -16.555 6.005 -0.442 1.00 0.00 C ATOM 513 O ASP A 49 -16.264 7.137 -0.069 1.00 0.00 O ATOM 514 CB ASP A 49 -18.323 4.691 -1.760 1.00 0.00 C ATOM 515 CG ASP A 49 -19.727 5.179 -2.132 1.00 0.00 C ATOM 516 OD1 ASP A 49 -20.089 6.293 -1.692 1.00 0.00 O ATOM 517 OD2 ASP A 49 -20.425 4.405 -2.819 1.00 0.00 O ATOM 0 H ASP A 49 -16.434 6.409 -3.627 1.00 0.00 H new ATOM 0 HA ASP A 49 -17.812 6.737 -1.981 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -18.027 3.897 -2.445 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -18.348 4.257 -0.761 1.00 0.00 H new ATOM 519 N ASP A 50 -16.197 4.906 0.220 1.00 0.00 N ATOM 520 CA ASP A 50 -15.416 4.935 1.476 1.00 0.00 C ATOM 521 C ASP A 50 -14.031 4.270 1.358 1.00 0.00 C ATOM 522 O ASP A 50 -13.367 4.050 2.370 1.00 0.00 O ATOM 523 CB ASP A 50 -16.218 4.300 2.617 1.00 0.00 C ATOM 524 CG ASP A 50 -17.064 5.344 3.348 1.00 0.00 C ATOM 525 OD1 ASP A 50 -16.520 5.940 4.304 1.00 0.00 O ATOM 526 OD2 ASP A 50 -18.236 5.508 2.946 1.00 0.00 O ATOM 0 H ASP A 50 -16.436 3.965 -0.092 1.00 0.00 H new ATOM 0 HA ASP A 50 -15.231 5.986 1.696 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -16.865 3.518 2.219 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -15.537 3.822 3.321 1.00 0.00 H new ATOM 528 N SER A 51 -13.498 4.279 0.132 1.00 0.00 N ATOM 529 CA SER A 51 -12.242 3.588 -0.261 1.00 0.00 C ATOM 530 C SER A 51 -12.303 2.070 -0.011 1.00 0.00 C ATOM 531 O SER A 51 -13.320 1.534 0.422 1.00 0.00 O ATOM 532 CB SER A 51 -10.973 4.153 0.410 1.00 0.00 C ATOM 533 OG SER A 51 -11.231 5.311 1.201 1.00 0.00 O ATOM 0 H SER A 51 -13.932 4.778 -0.644 1.00 0.00 H new ATOM 0 HA SER A 51 -12.165 3.780 -1.331 1.00 0.00 H new ATOM 0 HB2 SER A 51 -10.527 3.382 1.038 1.00 0.00 H new ATOM 0 HB3 SER A 51 -10.241 4.400 -0.359 1.00 0.00 H new ATOM 0 HG SER A 51 -11.145 5.084 2.151 1.00 0.00 H new ATOM 536 N ASP A 52 -11.244 1.375 -0.427 1.00 0.00 N ATOM 537 CA ASP A 52 -11.096 -0.073 -0.176 1.00 0.00 C ATOM 538 C ASP A 52 -10.179 -0.392 1.024 1.00 0.00 C ATOM 539 O ASP A 52 -10.366 -1.408 1.691 1.00 0.00 O ATOM 540 CB ASP A 52 -10.601 -0.748 -1.458 1.00 0.00 C ATOM 541 CG ASP A 52 -11.249 -2.118 -1.685 1.00 0.00 C ATOM 542 OD1 ASP A 52 -12.496 -2.166 -1.713 1.00 0.00 O ATOM 543 OD2 ASP A 52 -10.469 -3.075 -1.886 1.00 0.00 O ATOM 0 H ASP A 52 -10.467 1.788 -0.943 1.00 0.00 H new ATOM 0 HA ASP A 52 -12.073 -0.471 0.099 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -10.814 -0.103 -2.310 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -9.518 -0.865 -1.409 1.00 0.00 H new ATOM 545 N TYR A 53 -9.236 0.512 1.304 1.00 0.00 N ATOM 546 CA TYR A 53 -8.285 0.406 2.427 1.00 0.00 C ATOM 547 C TYR A 53 -8.545 1.480 3.495 1.00 0.00 C ATOM 548 O TYR A 53 -8.708 2.657 3.171 1.00 0.00 O ATOM 549 CB TYR A 53 -6.846 0.564 1.915 1.00 0.00 C ATOM 550 CG TYR A 53 -6.082 -0.754 1.735 1.00 0.00 C ATOM 551 CD1 TYR A 53 -6.229 -1.790 2.650 1.00 0.00 C ATOM 552 CD2 TYR A 53 -5.182 -0.900 0.688 1.00 0.00 C ATOM 553 CE1 TYR A 53 -5.523 -2.974 2.502 1.00 0.00 C ATOM 554 CE2 TYR A 53 -4.468 -2.083 0.539 1.00 0.00 C ATOM 555 CZ TYR A 53 -4.667 -3.134 1.426 1.00 0.00 C ATOM 556 OH TYR A 53 -4.259 -4.385 1.096 1.00 0.00 O ATOM 0 H TYR A 53 -9.105 1.357 0.748 1.00 0.00 H new ATOM 0 HA TYR A 53 -8.424 -0.577 2.877 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -6.870 1.088 0.959 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -6.294 1.196 2.611 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -6.902 -1.671 3.487 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -5.036 -0.092 -0.013 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -5.641 -3.769 3.224 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -3.757 -2.186 -0.268 1.00 0.00 H new ATOM 0 HH TYR A 53 -3.662 -4.340 0.320 1.00 0.00 H new ATOM 563 N ILE A 54 -8.558 1.031 4.749 1.00 0.00 N ATOM 564 CA ILE A 54 -8.753 1.896 5.935 1.00 0.00 C ATOM 565 C ILE A 54 -7.537 1.811 6.877 1.00 0.00 C ATOM 566 O ILE A 54 -7.232 0.767 7.455 1.00 0.00 O ATOM 567 CB ILE A 54 -10.075 1.549 6.656 1.00 0.00 C ATOM 568 CG1 ILE A 54 -11.264 1.736 5.695 1.00 0.00 C ATOM 569 CG2 ILE A 54 -10.270 2.420 7.912 1.00 0.00 C ATOM 570 CD1 ILE A 54 -12.563 1.069 6.160 1.00 0.00 C ATOM 0 H ILE A 54 -8.433 0.046 4.984 1.00 0.00 H new ATOM 0 HA ILE A 54 -8.832 2.931 5.603 1.00 0.00 H new ATOM 0 HB ILE A 54 -10.026 0.507 6.971 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -11.445 2.803 5.563 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -10.993 1.335 4.718 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -11.208 2.153 8.398 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -9.443 2.253 8.603 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -10.296 3.471 7.625 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -13.348 1.250 5.426 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -12.404 -0.004 6.264 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -12.862 1.486 7.121 1.00 0.00 H new ATOM 572 N CYS A 55 -6.808 2.924 6.910 1.00 0.00 N ATOM 573 CA CYS A 55 -5.657 3.143 7.811 1.00 0.00 C ATOM 574 C CYS A 55 -6.073 3.383 9.270 1.00 0.00 C ATOM 575 O CYS A 55 -6.724 4.379 9.581 1.00 0.00 O ATOM 576 CB CYS A 55 -4.759 4.268 7.271 1.00 0.00 C ATOM 577 SG CYS A 55 -5.612 5.862 6.980 1.00 0.00 S ATOM 0 H CYS A 55 -6.997 3.721 6.302 1.00 0.00 H new ATOM 0 HA CYS A 55 -5.077 2.220 7.825 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -3.944 4.432 7.976 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -4.310 3.937 6.335 1.00 0.00 H new ATOM 579 N LYS A 56 -5.888 2.350 10.092 1.00 0.00 N ATOM 580 CA LYS A 56 -6.141 2.449 11.547 1.00 0.00 C ATOM 581 C LYS A 56 -5.018 3.183 12.297 1.00 0.00 C ATOM 582 O LYS A 56 -5.280 3.967 13.209 1.00 0.00 O ATOM 583 CB LYS A 56 -6.356 1.070 12.182 1.00 0.00 C ATOM 584 CG LYS A 56 -7.632 1.021 13.041 1.00 0.00 C ATOM 585 CD LYS A 56 -7.655 1.920 14.286 1.00 0.00 C ATOM 586 CE LYS A 56 -6.961 1.327 15.520 1.00 0.00 C ATOM 587 NZ LYS A 56 -5.517 1.118 15.335 1.00 0.00 N ATOM 0 H LYS A 56 -5.565 1.433 9.785 1.00 0.00 H new ATOM 0 HA LYS A 56 -7.055 3.035 11.644 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -6.418 0.316 11.397 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -5.494 0.817 12.799 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -8.479 1.291 12.410 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -7.788 -0.009 13.361 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -7.180 2.870 14.040 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -8.692 2.139 14.540 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -7.118 1.991 16.370 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -7.429 0.375 15.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -5.043 1.131 16.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -5.355 0.199 14.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -5.130 1.876 14.737 1.00 0.00 H new ATOM 592 N TYR A 57 -3.774 2.875 11.935 1.00 0.00 N ATOM 593 CA TYR A 57 -2.598 3.538 12.525 1.00 0.00 C ATOM 594 C TYR A 57 -1.468 3.658 11.496 1.00 0.00 C ATOM 595 O TYR A 57 -1.313 2.849 10.584 1.00 0.00 O ATOM 596 CB TYR A 57 -2.112 2.808 13.785 1.00 0.00 C ATOM 597 CG TYR A 57 -1.437 3.791 14.751 1.00 0.00 C ATOM 598 CD1 TYR A 57 -0.099 4.131 14.595 1.00 0.00 C ATOM 599 CD2 TYR A 57 -2.181 4.383 15.767 1.00 0.00 C ATOM 600 CE1 TYR A 57 0.488 5.069 15.433 1.00 0.00 C ATOM 601 CE2 TYR A 57 -1.591 5.302 16.626 1.00 0.00 C ATOM 602 CZ TYR A 57 -0.255 5.646 16.454 1.00 0.00 C ATOM 603 OH TYR A 57 0.344 6.532 17.290 1.00 0.00 O ATOM 0 H TYR A 57 -3.547 2.169 11.234 1.00 0.00 H new ATOM 0 HA TYR A 57 -2.901 4.542 12.822 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -2.954 2.324 14.279 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -1.410 2.021 13.508 1.00 0.00 H new ATOM 0 HD1 TYR A 57 0.487 3.663 13.818 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -3.223 4.127 15.889 1.00 0.00 H new ATOM 0 HE1 TYR A 57 1.521 5.350 15.291 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -2.168 5.747 17.424 1.00 0.00 H new ATOM 0 HH TYR A 57 -0.306 6.849 17.951 1.00 0.00 H new ATOM 610 N ILE A 58 -0.724 4.739 11.664 1.00 0.00 N ATOM 611 CA ILE A 58 0.343 5.177 10.747 1.00 0.00 C ATOM 612 C ILE A 58 1.617 5.505 11.538 1.00 0.00 C ATOM 613 O ILE A 58 1.557 6.176 12.570 1.00 0.00 O ATOM 614 CB ILE A 58 -0.139 6.369 9.891 1.00 0.00 C ATOM 615 CG1 ILE A 58 -0.711 7.579 10.667 1.00 0.00 C ATOM 616 CG2 ILE A 58 -1.049 5.876 8.757 1.00 0.00 C ATOM 617 CD1 ILE A 58 -2.054 7.468 11.404 1.00 0.00 C ATOM 0 H ILE A 58 -0.841 5.362 12.463 1.00 0.00 H new ATOM 0 HA ILE A 58 0.586 4.367 10.060 1.00 0.00 H new ATOM 0 HB ILE A 58 0.761 6.799 9.452 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.037 7.871 11.404 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.800 8.403 9.959 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.382 6.726 8.162 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.497 5.183 8.123 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.916 5.369 9.181 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -2.284 8.418 11.886 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.841 7.223 10.691 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.991 6.684 12.158 1.00 0.00 H new ATOM 619 N ASN A 59 2.760 5.032 11.048 1.00 0.00 N ATOM 620 CA ASN A 59 4.022 5.103 11.805 1.00 0.00 C ATOM 621 C ASN A 59 5.154 5.841 11.071 1.00 0.00 C ATOM 622 O ASN A 59 5.963 5.255 10.353 1.00 0.00 O ATOM 623 CB ASN A 59 4.454 3.692 12.221 1.00 0.00 C ATOM 624 CG ASN A 59 5.493 3.780 13.339 1.00 0.00 C ATOM 625 OD1 ASN A 59 6.672 4.038 13.130 1.00 0.00 O ATOM 626 ND2 ASN A 59 5.005 3.787 14.560 1.00 0.00 N ATOM 0 H ASN A 59 2.846 4.594 10.131 1.00 0.00 H new ATOM 0 HA ASN A 59 3.823 5.705 12.692 1.00 0.00 H new ATOM 0 HB2 ASN A 59 3.589 3.121 12.559 1.00 0.00 H new ATOM 0 HB3 ASN A 59 4.871 3.162 11.365 1.00 0.00 H new ATOM 0 HD21 ASN A 59 5.611 4.010 15.350 1.00 0.00 H new ATOM 0 HD22 ASN A 59 4.021 3.570 14.717 1.00 0.00 H new ATOM 630 N THR A 60 5.284 7.114 11.429 1.00 0.00 N ATOM 631 CA THR A 60 6.339 8.022 10.918 1.00 0.00 C ATOM 632 C THR A 60 7.766 7.572 11.263 1.00 0.00 C ATOM 633 O THR A 60 8.659 7.678 10.428 1.00 0.00 O ATOM 634 CB THR A 60 6.186 9.458 11.443 1.00 0.00 C ATOM 635 OG1 THR A 60 5.104 9.567 12.378 1.00 0.00 O ATOM 636 CG2 THR A 60 6.038 10.447 10.285 1.00 0.00 C ATOM 0 H THR A 60 4.655 7.565 12.093 1.00 0.00 H new ATOM 0 HA THR A 60 6.199 7.987 9.838 1.00 0.00 H new ATOM 0 HB THR A 60 7.097 9.715 11.984 1.00 0.00 H new ATOM 0 HG1 THR A 60 5.036 10.492 12.693 1.00 0.00 H new ATOM 0 HG21 THR A 60 5.931 11.457 10.681 1.00 0.00 H new ATOM 0 HG22 THR A 60 6.922 10.398 9.649 1.00 0.00 H new ATOM 0 HG23 THR A 60 5.155 10.192 9.699 1.00 0.00 H new ATOM 639 N GLU A 61 7.929 6.960 12.437 1.00 0.00 N ATOM 640 CA GLU A 61 9.246 6.557 12.975 1.00 0.00 C ATOM 641 C GLU A 61 9.980 5.555 12.067 1.00 0.00 C ATOM 642 O GLU A 61 11.162 5.741 11.789 1.00 0.00 O ATOM 643 CB GLU A 61 9.053 6.012 14.395 1.00 0.00 C ATOM 644 CG GLU A 61 10.199 6.431 15.326 1.00 0.00 C ATOM 645 CD GLU A 61 11.440 5.523 15.354 1.00 0.00 C ATOM 646 OE1 GLU A 61 11.623 4.712 14.421 1.00 0.00 O ATOM 647 OE2 GLU A 61 12.168 5.639 16.362 1.00 0.00 O ATOM 0 H GLU A 61 7.150 6.725 13.052 1.00 0.00 H new ATOM 0 HA GLU A 61 9.891 7.435 13.008 1.00 0.00 H new ATOM 0 HB2 GLU A 61 8.107 6.373 14.798 1.00 0.00 H new ATOM 0 HB3 GLU A 61 8.991 4.924 14.362 1.00 0.00 H new ATOM 0 HG2 GLU A 61 10.518 7.433 15.041 1.00 0.00 H new ATOM 0 HG3 GLU A 61 9.805 6.498 16.340 1.00 0.00 H new ATOM 649 N HIS A 62 9.238 4.589 11.524 1.00 0.00 N ATOM 650 CA HIS A 62 9.776 3.662 10.508 1.00 0.00 C ATOM 651 C HIS A 62 9.235 3.949 9.091 1.00 0.00 C ATOM 652 O HIS A 62 9.285 3.099 8.202 1.00 0.00 O ATOM 653 CB HIS A 62 9.439 2.230 10.933 1.00 0.00 C ATOM 654 CG HIS A 62 10.673 1.333 10.808 1.00 0.00 C ATOM 655 ND1 HIS A 62 11.532 1.075 11.788 1.00 0.00 N ATOM 656 CD2 HIS A 62 11.127 0.754 9.698 1.00 0.00 C ATOM 657 CE1 HIS A 62 12.522 0.343 11.285 1.00 0.00 C ATOM 658 NE2 HIS A 62 12.270 0.141 9.995 1.00 0.00 N ATOM 0 H HIS A 62 8.261 4.422 11.766 1.00 0.00 H new ATOM 0 HA HIS A 62 10.856 3.802 10.453 1.00 0.00 H new ATOM 0 HB2 HIS A 62 9.080 2.224 11.962 1.00 0.00 H new ATOM 0 HB3 HIS A 62 8.633 1.839 10.312 1.00 0.00 H new ATOM 0 HD2 HIS A 62 10.652 0.778 8.729 1.00 0.00 H new ATOM 0 HE1 HIS A 62 13.380 -0.023 11.829 1.00 0.00 H new ATOM 0 HE2 HIS A 62 12.851 -0.391 9.347 1.00 0.00 H new ATOM 661 N LYS A 63 8.774 5.188 8.903 1.00 0.00 N ATOM 662 CA LYS A 63 8.129 5.706 7.676 1.00 0.00 C ATOM 663 C LYS A 63 7.128 4.736 7.001 1.00 0.00 C ATOM 664 O LYS A 63 6.828 4.802 5.809 1.00 0.00 O ATOM 665 CB LYS A 63 9.211 6.236 6.723 1.00 0.00 C ATOM 666 CG LYS A 63 9.988 7.447 7.263 1.00 0.00 C ATOM 667 CD LYS A 63 11.330 7.124 7.936 1.00 0.00 C ATOM 668 CE LYS A 63 12.446 6.868 6.917 1.00 0.00 C ATOM 669 NZ LYS A 63 13.770 7.144 7.496 1.00 0.00 N ATOM 0 H LYS A 63 8.840 5.898 9.633 1.00 0.00 H new ATOM 0 HA LYS A 63 7.483 6.532 7.973 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.916 5.433 6.509 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.744 6.511 5.777 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.171 8.136 6.439 1.00 0.00 H new ATOM 0 HG3 LYS A 63 9.357 7.970 7.982 1.00 0.00 H new ATOM 0 HD2 LYS A 63 11.617 7.951 8.585 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.213 6.246 8.571 1.00 0.00 H new ATOM 0 HE2 LYS A 63 12.403 5.833 6.579 1.00 0.00 H new ATOM 0 HE3 LYS A 63 12.292 7.496 6.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 14.505 6.962 6.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 13.817 8.139 7.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 13.925 6.527 8.319 1.00 0.00 H new ATOM 674 N GLN A 64 6.395 4.032 7.858 1.00 0.00 N ATOM 675 CA GLN A 64 5.516 2.913 7.468 1.00 0.00 C ATOM 676 C GLN A 64 4.059 3.163 7.896 1.00 0.00 C ATOM 677 O GLN A 64 3.776 4.057 8.692 1.00 0.00 O ATOM 678 CB GLN A 64 6.060 1.624 8.093 1.00 0.00 C ATOM 679 CG GLN A 64 5.700 0.431 7.204 1.00 0.00 C ATOM 680 CD GLN A 64 6.235 -0.917 7.683 1.00 0.00 C ATOM 681 OE1 GLN A 64 5.487 -1.811 8.051 1.00 0.00 O ATOM 682 NE2 GLN A 64 7.524 -1.138 7.539 1.00 0.00 N ATOM 0 H GLN A 64 6.389 4.219 8.861 1.00 0.00 H new ATOM 0 HA GLN A 64 5.511 2.822 6.382 1.00 0.00 H new ATOM 0 HB2 GLN A 64 7.142 1.692 8.208 1.00 0.00 H new ATOM 0 HB3 GLN A 64 5.642 1.487 9.090 1.00 0.00 H new ATOM 0 HG2 GLN A 64 4.614 0.368 7.129 1.00 0.00 H new ATOM 0 HG3 GLN A 64 6.079 0.619 6.199 1.00 0.00 H new ATOM 0 HE21 GLN A 64 8.139 -0.385 7.231 1.00 0.00 H new ATOM 0 HE22 GLN A 64 7.908 -2.062 7.735 1.00 0.00 H new ATOM 686 N LEU A 65 3.136 2.473 7.233 1.00 0.00 N ATOM 687 CA LEU A 65 1.692 2.586 7.522 1.00 0.00 C ATOM 688 C LEU A 65 0.929 1.251 7.590 1.00 0.00 C ATOM 689 O LEU A 65 1.235 0.308 6.859 1.00 0.00 O ATOM 690 CB LEU A 65 0.999 3.645 6.637 1.00 0.00 C ATOM 691 CG LEU A 65 1.214 3.702 5.113 1.00 0.00 C ATOM 692 CD1 LEU A 65 2.640 4.083 4.697 1.00 0.00 C ATOM 693 CD2 LEU A 65 0.700 2.446 4.415 1.00 0.00 C ATOM 0 H LEU A 65 3.356 1.820 6.481 1.00 0.00 H new ATOM 0 HA LEU A 65 1.645 2.951 8.548 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.073 3.537 6.799 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.285 4.620 7.031 1.00 0.00 H new ATOM 0 HG LEU A 65 0.600 4.530 4.760 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.709 4.101 3.609 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.883 5.069 5.093 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.343 3.350 5.093 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.872 2.530 3.342 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.228 1.574 4.800 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.368 2.336 4.604 1.00 0.00 H new ATOM 695 N THR A 66 -0.076 1.247 8.467 1.00 0.00 N ATOM 696 CA THR A 66 -0.832 0.040 8.874 1.00 0.00 C ATOM 697 C THR A 66 -2.333 0.208 8.569 1.00 0.00 C ATOM 698 O THR A 66 -3.073 0.874 9.303 1.00 0.00 O ATOM 699 CB THR A 66 -0.651 -0.213 10.385 1.00 0.00 C ATOM 700 OG1 THR A 66 0.677 0.106 10.819 1.00 0.00 O ATOM 701 CG2 THR A 66 -0.938 -1.674 10.734 1.00 0.00 C ATOM 0 H THR A 66 -0.402 2.096 8.929 1.00 0.00 H new ATOM 0 HA THR A 66 -0.445 -0.808 8.309 1.00 0.00 H new ATOM 0 HB THR A 66 -1.361 0.437 10.897 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.757 -0.064 11.781 1.00 0.00 H new ATOM 0 HG21 THR A 66 -0.803 -1.826 11.805 1.00 0.00 H new ATOM 0 HG22 THR A 66 -1.964 -1.919 10.459 1.00 0.00 H new ATOM 0 HG23 THR A 66 -0.252 -2.320 10.187 1.00 0.00 H new ATOM 704 N LEU A 67 -2.758 -0.423 7.477 1.00 0.00 N ATOM 705 CA LEU A 67 -4.156 -0.351 6.994 1.00 0.00 C ATOM 706 C LEU A 67 -4.812 -1.685 6.607 1.00 0.00 C ATOM 707 O LEU A 67 -4.187 -2.520 5.959 1.00 0.00 O ATOM 708 CB LEU A 67 -4.308 0.690 5.869 1.00 0.00 C ATOM 709 CG LEU A 67 -3.169 0.840 4.852 1.00 0.00 C ATOM 710 CD1 LEU A 67 -3.162 -0.285 3.824 1.00 0.00 C ATOM 711 CD2 LEU A 67 -3.293 2.190 4.146 1.00 0.00 C ATOM 0 H LEU A 67 -2.152 -1.001 6.895 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.716 -0.028 7.872 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.217 0.451 5.316 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.466 1.662 6.336 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.227 0.786 5.397 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.338 -0.135 3.126 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.038 -1.241 4.332 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.105 -0.284 3.278 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.484 2.298 3.423 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.251 2.244 3.629 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.232 2.992 4.881 1.00 0.00 H new ATOM 713 N TYR A 68 -6.106 -1.804 6.900 1.00 0.00 N ATOM 714 CA TYR A 68 -6.892 -3.011 6.566 1.00 0.00 C ATOM 715 C TYR A 68 -7.965 -2.749 5.505 1.00 0.00 C ATOM 716 O TYR A 68 -8.561 -1.674 5.438 1.00 0.00 O ATOM 717 CB TYR A 68 -7.534 -3.674 7.793 1.00 0.00 C ATOM 718 CG TYR A 68 -8.487 -2.757 8.556 1.00 0.00 C ATOM 719 CD1 TYR A 68 -7.964 -1.922 9.528 1.00 0.00 C ATOM 720 CD2 TYR A 68 -9.833 -2.677 8.210 1.00 0.00 C ATOM 721 CE1 TYR A 68 -8.783 -0.986 10.133 1.00 0.00 C ATOM 722 CE2 TYR A 68 -10.654 -1.743 8.826 1.00 0.00 C ATOM 723 CZ TYR A 68 -10.125 -0.899 9.796 1.00 0.00 C ATOM 724 OH TYR A 68 -10.913 -0.036 10.483 1.00 0.00 O ATOM 0 H TYR A 68 -6.644 -1.077 7.372 1.00 0.00 H new ATOM 0 HA TYR A 68 -6.160 -3.704 6.152 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -8.077 -4.563 7.472 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -6.746 -4.008 8.468 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -6.925 -2.001 9.812 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -10.238 -3.342 7.462 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -8.373 -0.317 10.875 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -11.697 -1.672 8.554 1.00 0.00 H new ATOM 0 HH TYR A 68 -11.829 -0.082 10.136 1.00 0.00 H new ATOM 731 N ASN A 69 -8.080 -3.721 4.610 1.00 0.00 N ATOM 732 CA ASN A 69 -9.044 -3.685 3.499 1.00 0.00 C ATOM 733 C ASN A 69 -10.411 -4.230 3.931 1.00 0.00 C ATOM 734 O ASN A 69 -10.521 -5.354 4.431 1.00 0.00 O ATOM 735 CB ASN A 69 -8.461 -4.491 2.336 1.00 0.00 C ATOM 736 CG ASN A 69 -9.186 -4.251 1.016 1.00 0.00 C ATOM 737 OD1 ASN A 69 -10.380 -4.467 0.880 1.00 0.00 O ATOM 738 ND2 ASN A 69 -8.445 -3.839 0.015 1.00 0.00 N ATOM 0 H ASN A 69 -7.507 -4.565 4.627 1.00 0.00 H new ATOM 0 HA ASN A 69 -9.209 -2.654 3.184 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -7.408 -4.235 2.217 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -8.505 -5.552 2.580 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -8.864 -3.692 -0.903 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -7.450 -3.666 0.155 1.00 0.00 H new ATOM 742 N LYS A 70 -11.424 -3.452 3.565 1.00 0.00 N ATOM 743 CA LYS A 70 -12.836 -3.711 3.914 1.00 0.00 C ATOM 744 C LYS A 70 -13.703 -4.061 2.680 1.00 0.00 C ATOM 745 O LYS A 70 -14.819 -3.580 2.491 1.00 0.00 O ATOM 746 CB LYS A 70 -13.311 -2.507 4.742 1.00 0.00 C ATOM 747 CG LYS A 70 -14.705 -2.671 5.361 1.00 0.00 C ATOM 748 CD LYS A 70 -14.815 -2.006 6.735 1.00 0.00 C ATOM 749 CE LYS A 70 -14.296 -2.941 7.831 1.00 0.00 C ATOM 750 NZ LYS A 70 -14.340 -2.297 9.150 1.00 0.00 N ATOM 0 H LYS A 70 -11.296 -2.607 3.008 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.942 -4.610 4.521 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -12.592 -2.325 5.541 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -13.312 -1.622 4.106 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -15.450 -2.241 4.691 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -14.936 -3.732 5.454 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -14.244 -1.077 6.742 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -15.854 -1.744 6.936 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -14.895 -3.851 7.849 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -13.272 -3.238 7.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -13.982 -2.956 9.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -13.748 -1.442 9.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -15.321 -2.036 9.376 1.00 0.00 H new ATOM 755 N ASN A 71 -13.092 -4.826 1.777 1.00 0.00 N ATOM 756 CA ASN A 71 -13.793 -5.468 0.644 1.00 0.00 C ATOM 757 C ASN A 71 -13.960 -6.993 0.821 1.00 0.00 C ATOM 758 O ASN A 71 -14.735 -7.632 0.112 1.00 0.00 O ATOM 759 CB ASN A 71 -12.994 -5.169 -0.631 1.00 0.00 C ATOM 760 CG ASN A 71 -13.676 -5.625 -1.924 1.00 0.00 C ATOM 761 OD1 ASN A 71 -14.834 -5.365 -2.204 1.00 0.00 O ATOM 762 ND2 ASN A 71 -12.906 -6.243 -2.793 1.00 0.00 N ATOM 0 H ASN A 71 -12.092 -5.025 1.803 1.00 0.00 H new ATOM 0 HA ASN A 71 -14.802 -5.060 0.588 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -12.813 -4.096 -0.689 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -12.020 -5.653 -0.557 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -13.277 -6.507 -3.706 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -11.938 -6.458 -2.554 1.00 0.00 H new ATOM 766 N ASN A 72 -13.165 -7.574 1.719 1.00 0.00 N ATOM 767 CA ASN A 72 -13.151 -9.030 1.956 1.00 0.00 C ATOM 768 C ASN A 72 -13.722 -9.384 3.345 1.00 0.00 C ATOM 769 O ASN A 72 -14.873 -9.793 3.462 1.00 0.00 O ATOM 770 CB ASN A 72 -11.725 -9.547 1.707 1.00 0.00 C ATOM 771 CG ASN A 72 -11.597 -11.061 1.895 1.00 0.00 C ATOM 772 OD1 ASN A 72 -11.279 -11.551 2.968 1.00 0.00 O ATOM 773 ND2 ASN A 72 -11.836 -11.810 0.842 1.00 0.00 N ATOM 0 H ASN A 72 -12.511 -7.056 2.305 1.00 0.00 H new ATOM 0 HA ASN A 72 -13.814 -9.540 1.257 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -11.421 -9.285 0.693 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -11.038 -9.043 2.386 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -11.758 -12.825 0.910 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -12.100 -11.377 -0.043 1.00 0.00 H new ATOM 777 N SER A 73 -12.873 -9.287 4.363 1.00 0.00 N ATOM 778 CA SER A 73 -13.232 -9.564 5.767 1.00 0.00 C ATOM 779 C SER A 73 -12.510 -8.581 6.700 1.00 0.00 C ATOM 780 O SER A 73 -13.132 -7.710 7.300 1.00 0.00 O ATOM 781 CB SER A 73 -12.902 -11.022 6.118 1.00 0.00 C ATOM 782 OG SER A 73 -13.260 -11.309 7.473 1.00 0.00 O ATOM 0 H SER A 73 -11.899 -9.010 4.243 1.00 0.00 H new ATOM 0 HA SER A 73 -14.305 -9.423 5.900 1.00 0.00 H new ATOM 0 HB2 SER A 73 -13.436 -11.693 5.445 1.00 0.00 H new ATOM 0 HB3 SER A 73 -11.837 -11.205 5.971 1.00 0.00 H new ATOM 0 HG SER A 73 -13.044 -12.243 7.678 1.00 0.00 H new ATOM 785 N SER A 74 -11.183 -8.718 6.757 1.00 0.00 N ATOM 786 CA SER A 74 -10.294 -7.883 7.597 1.00 0.00 C ATOM 787 C SER A 74 -8.812 -8.159 7.291 1.00 0.00 C ATOM 788 O SER A 74 -8.194 -9.045 7.875 1.00 0.00 O ATOM 789 CB SER A 74 -10.595 -8.129 9.087 1.00 0.00 C ATOM 790 OG SER A 74 -10.558 -9.526 9.416 1.00 0.00 O ATOM 0 H SER A 74 -10.680 -9.421 6.216 1.00 0.00 H new ATOM 0 HA SER A 74 -10.488 -6.836 7.363 1.00 0.00 H new ATOM 0 HB2 SER A 74 -9.869 -7.593 9.698 1.00 0.00 H new ATOM 0 HB3 SER A 74 -11.577 -7.724 9.331 1.00 0.00 H new ATOM 0 HG SER A 74 -9.806 -9.951 8.954 1.00 0.00 H new ATOM 793 N ILE A 75 -8.287 -7.476 6.278 1.00 0.00 N ATOM 794 CA ILE A 75 -6.896 -7.701 5.816 1.00 0.00 C ATOM 795 C ILE A 75 -6.004 -6.456 5.958 1.00 0.00 C ATOM 796 O ILE A 75 -6.042 -5.536 5.142 1.00 0.00 O ATOM 797 CB ILE A 75 -6.829 -8.404 4.436 1.00 0.00 C ATOM 798 CG1 ILE A 75 -5.375 -8.568 3.951 1.00 0.00 C ATOM 799 CG2 ILE A 75 -7.758 -7.758 3.396 1.00 0.00 C ATOM 800 CD1 ILE A 75 -5.195 -9.458 2.716 1.00 0.00 C ATOM 0 H ILE A 75 -8.792 -6.761 5.754 1.00 0.00 H new ATOM 0 HA ILE A 75 -6.450 -8.419 6.504 1.00 0.00 H new ATOM 0 HB ILE A 75 -7.218 -9.414 4.569 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -4.969 -7.581 3.730 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -4.781 -8.981 4.766 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -7.670 -8.291 2.449 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -8.789 -7.809 3.747 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -7.475 -6.715 3.253 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -4.138 -9.509 2.455 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -5.564 -10.460 2.933 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -5.755 -9.038 1.880 1.00 0.00 H new ATOM 802 N VAL A 76 -5.142 -6.542 6.964 1.00 0.00 N ATOM 803 CA VAL A 76 -4.257 -5.448 7.416 1.00 0.00 C ATOM 804 C VAL A 76 -2.894 -5.622 6.728 1.00 0.00 C ATOM 805 O VAL A 76 -2.237 -6.646 6.896 1.00 0.00 O ATOM 806 CB VAL A 76 -4.020 -5.467 8.942 1.00 0.00 C ATOM 807 CG1 VAL A 76 -3.422 -4.135 9.408 1.00 0.00 C ATOM 808 CG2 VAL A 76 -5.255 -5.794 9.787 1.00 0.00 C ATOM 0 H VAL A 76 -5.028 -7.395 7.511 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.738 -4.504 7.160 1.00 0.00 H new ATOM 0 HB VAL A 76 -3.321 -6.287 9.105 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.261 -4.165 10.486 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.470 -3.967 8.904 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.109 -3.324 9.166 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.986 -5.783 10.843 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -6.030 -5.050 9.602 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.629 -6.782 9.518 1.00 0.00 H new ATOM 810 N ILE A 77 -2.498 -4.627 5.951 1.00 0.00 N ATOM 811 CA ILE A 77 -1.149 -4.607 5.355 1.00 0.00 C ATOM 812 C ILE A 77 -0.301 -3.459 5.919 1.00 0.00 C ATOM 813 O ILE A 77 -0.800 -2.393 6.284 1.00 0.00 O ATOM 814 CB ILE A 77 -1.115 -4.656 3.812 1.00 0.00 C ATOM 815 CG1 ILE A 77 -1.671 -3.390 3.156 1.00 0.00 C ATOM 816 CG2 ILE A 77 -1.814 -5.927 3.304 1.00 0.00 C ATOM 817 CD1 ILE A 77 -1.119 -3.160 1.745 1.00 0.00 C ATOM 0 H ILE A 77 -3.078 -3.823 5.712 1.00 0.00 H new ATOM 0 HA ILE A 77 -0.693 -5.549 5.660 1.00 0.00 H new ATOM 0 HB ILE A 77 -0.068 -4.696 3.513 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.758 -3.458 3.109 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -1.432 -2.528 3.779 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.783 -5.949 2.215 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.304 -6.805 3.699 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -2.852 -5.929 3.637 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.549 -2.248 1.330 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.034 -3.062 1.790 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.381 -4.006 1.110 1.00 0.00 H new ATOM 819 N GLU A 78 0.979 -3.788 6.050 1.00 0.00 N ATOM 820 CA GLU A 78 2.025 -2.911 6.618 1.00 0.00 C ATOM 821 C GLU A 78 3.079 -2.658 5.534 1.00 0.00 C ATOM 822 O GLU A 78 3.740 -3.599 5.090 1.00 0.00 O ATOM 823 CB GLU A 78 2.692 -3.600 7.815 1.00 0.00 C ATOM 824 CG GLU A 78 1.727 -3.921 8.961 1.00 0.00 C ATOM 825 CD GLU A 78 2.333 -4.887 9.986 1.00 0.00 C ATOM 826 OE1 GLU A 78 3.529 -4.731 10.321 1.00 0.00 O ATOM 827 OE2 GLU A 78 1.566 -5.765 10.435 1.00 0.00 O ATOM 0 H GLU A 78 1.340 -4.697 5.759 1.00 0.00 H new ATOM 0 HA GLU A 78 1.581 -1.973 6.950 1.00 0.00 H new ATOM 0 HB2 GLU A 78 3.159 -4.525 7.476 1.00 0.00 H new ATOM 0 HB3 GLU A 78 3.489 -2.960 8.193 1.00 0.00 H new ATOM 0 HG2 GLU A 78 1.443 -2.996 9.462 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.815 -4.355 8.552 1.00 0.00 H new ATOM 829 N ILE A 79 2.993 -1.472 4.938 1.00 0.00 N ATOM 830 CA ILE A 79 3.854 -1.112 3.789 1.00 0.00 C ATOM 831 C ILE A 79 4.665 0.179 3.989 1.00 0.00 C ATOM 832 O ILE A 79 4.157 1.161 4.534 1.00 0.00 O ATOM 833 CB ILE A 79 3.082 -1.111 2.447 1.00 0.00 C ATOM 834 CG1 ILE A 79 1.881 -0.158 2.423 1.00 0.00 C ATOM 835 CG2 ILE A 79 2.629 -2.536 2.124 1.00 0.00 C ATOM 836 CD1 ILE A 79 1.283 0.087 1.029 1.00 0.00 C ATOM 0 H ILE A 79 2.343 -0.739 5.222 1.00 0.00 H new ATOM 0 HA ILE A 79 4.594 -1.911 3.736 1.00 0.00 H new ATOM 0 HB ILE A 79 3.771 -0.742 1.687 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.103 -0.560 3.072 1.00 0.00 H new ATOM 0 HG13 ILE A 79 2.186 0.799 2.846 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.085 -2.540 1.180 1.00 0.00 H new ATOM 0 HG22 ILE A 79 3.501 -3.185 2.043 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.978 -2.900 2.919 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.440 0.773 1.110 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.042 0.521 0.379 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.942 -0.859 0.608 1.00 0.00 H new ATOM 838 N PHE A 80 5.940 0.107 3.607 1.00 0.00 N ATOM 839 CA PHE A 80 6.874 1.254 3.667 1.00 0.00 C ATOM 840 C PHE A 80 7.240 1.721 2.255 1.00 0.00 C ATOM 841 O PHE A 80 7.680 0.945 1.408 1.00 0.00 O ATOM 842 CB PHE A 80 8.144 0.948 4.486 1.00 0.00 C ATOM 843 CG PHE A 80 9.168 2.084 4.700 1.00 0.00 C ATOM 844 CD1 PHE A 80 8.956 3.394 4.269 1.00 0.00 C ATOM 845 CD2 PHE A 80 10.420 1.763 5.216 1.00 0.00 C ATOM 846 CE1 PHE A 80 9.977 4.330 4.282 1.00 0.00 C ATOM 847 CE2 PHE A 80 11.435 2.713 5.273 1.00 0.00 C ATOM 848 CZ PHE A 80 11.223 3.995 4.787 1.00 0.00 C ATOM 0 H PHE A 80 6.365 -0.747 3.245 1.00 0.00 H new ATOM 0 HA PHE A 80 6.354 2.059 4.186 1.00 0.00 H new ATOM 0 HB2 PHE A 80 7.829 0.595 5.468 1.00 0.00 H new ATOM 0 HB3 PHE A 80 8.662 0.121 4.000 1.00 0.00 H new ATOM 0 HD1 PHE A 80 7.977 3.684 3.918 1.00 0.00 H new ATOM 0 HD2 PHE A 80 10.606 0.762 5.577 1.00 0.00 H new ATOM 0 HE1 PHE A 80 9.801 5.324 3.897 1.00 0.00 H new ATOM 0 HE2 PHE A 80 12.393 2.451 5.698 1.00 0.00 H new ATOM 0 HZ PHE A 80 12.020 4.724 4.802 1.00 0.00 H new ATOM 855 N ILE A 81 6.973 3.010 2.086 1.00 0.00 N ATOM 856 CA ILE A 81 7.144 3.810 0.860 1.00 0.00 C ATOM 857 C ILE A 81 8.270 4.837 1.145 1.00 0.00 C ATOM 858 O ILE A 81 8.020 5.812 1.854 1.00 0.00 O ATOM 859 CB ILE A 81 5.771 4.451 0.551 1.00 0.00 C ATOM 860 CG1 ILE A 81 4.736 3.421 0.087 1.00 0.00 C ATOM 861 CG2 ILE A 81 5.836 5.545 -0.511 1.00 0.00 C ATOM 862 CD1 ILE A 81 4.077 2.612 1.205 1.00 0.00 C ATOM 0 H ILE A 81 6.604 3.573 2.852 1.00 0.00 H new ATOM 0 HA ILE A 81 7.442 3.236 -0.017 1.00 0.00 H new ATOM 0 HB ILE A 81 5.468 4.891 1.501 1.00 0.00 H new ATOM 0 HG12 ILE A 81 3.957 3.939 -0.473 1.00 0.00 H new ATOM 0 HG13 ILE A 81 5.219 2.730 -0.604 1.00 0.00 H new ATOM 0 HG21 ILE A 81 4.838 5.950 -0.677 1.00 0.00 H new ATOM 0 HG22 ILE A 81 6.499 6.341 -0.173 1.00 0.00 H new ATOM 0 HG23 ILE A 81 6.217 5.126 -1.442 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.361 1.912 0.774 1.00 0.00 H new ATOM 0 HD12 ILE A 81 4.840 2.060 1.753 1.00 0.00 H new ATOM 0 HD13 ILE A 81 3.559 3.287 1.886 1.00 0.00 H new ATOM 864 N PRO A 82 9.521 4.492 0.798 1.00 0.00 N ATOM 865 CA PRO A 82 10.703 5.333 1.079 1.00 0.00 C ATOM 866 C PRO A 82 10.995 6.309 -0.075 1.00 0.00 C ATOM 867 O PRO A 82 10.632 7.477 0.017 1.00 0.00 O ATOM 868 CB PRO A 82 11.849 4.333 1.324 1.00 0.00 C ATOM 869 CG PRO A 82 11.182 2.957 1.333 1.00 0.00 C ATOM 870 CD PRO A 82 9.965 3.139 0.436 1.00 0.00 C ATOM 0 HA PRO A 82 10.555 5.980 1.944 1.00 0.00 H new ATOM 0 HB2 PRO A 82 12.605 4.400 0.541 1.00 0.00 H new ATOM 0 HB3 PRO A 82 12.352 4.534 2.270 1.00 0.00 H new ATOM 0 HG2 PRO A 82 11.850 2.186 0.950 1.00 0.00 H new ATOM 0 HG3 PRO A 82 10.895 2.658 2.341 1.00 0.00 H new ATOM 0 HD2 PRO A 82 10.221 3.062 -0.621 1.00 0.00 H new ATOM 0 HD3 PRO A 82 9.197 2.391 0.633 1.00 0.00 H new ATOM 871 N ASN A 83 11.780 5.830 -1.041 1.00 0.00 N ATOM 872 CA ASN A 83 12.191 6.429 -2.329 1.00 0.00 C ATOM 873 C ASN A 83 13.203 5.425 -2.921 1.00 0.00 C ATOM 874 O ASN A 83 13.037 4.221 -2.731 1.00 0.00 O ATOM 875 CB ASN A 83 12.797 7.840 -2.173 1.00 0.00 C ATOM 876 CG ASN A 83 12.714 8.601 -3.506 1.00 0.00 C ATOM 877 OD1 ASN A 83 11.806 9.370 -3.768 1.00 0.00 O ATOM 878 ND2 ASN A 83 13.721 8.514 -4.349 1.00 0.00 N ATOM 0 H ASN A 83 12.196 4.905 -0.935 1.00 0.00 H new ATOM 0 HA ASN A 83 11.334 6.586 -2.984 1.00 0.00 H new ATOM 0 HB2 ASN A 83 12.263 8.390 -1.398 1.00 0.00 H new ATOM 0 HB3 ASN A 83 13.836 7.765 -1.852 1.00 0.00 H new ATOM 0 HD21 ASN A 83 13.727 9.082 -5.196 1.00 0.00 H new ATOM 0 HD22 ASN A 83 14.495 7.878 -4.155 1.00 0.00 H new ATOM 882 N ASP A 84 14.146 5.902 -3.735 1.00 0.00 N ATOM 883 CA ASP A 84 15.371 5.184 -4.168 1.00 0.00 C ATOM 884 C ASP A 84 15.133 3.764 -4.721 1.00 0.00 C ATOM 885 O ASP A 84 15.913 2.844 -4.490 1.00 0.00 O ATOM 886 CB ASP A 84 16.433 5.202 -3.051 1.00 0.00 C ATOM 887 CG ASP A 84 16.091 4.360 -1.812 1.00 0.00 C ATOM 888 OD1 ASP A 84 15.342 4.890 -0.962 1.00 0.00 O ATOM 889 OD2 ASP A 84 16.623 3.235 -1.712 1.00 0.00 O ATOM 0 H ASP A 84 14.085 6.839 -4.134 1.00 0.00 H new ATOM 0 HA ASP A 84 15.750 5.739 -5.026 1.00 0.00 H new ATOM 0 HB2 ASP A 84 17.377 4.846 -3.463 1.00 0.00 H new ATOM 0 HB3 ASP A 84 16.591 6.234 -2.737 1.00 0.00 H new ATOM 891 N ASN A 85 13.993 3.623 -5.395 1.00 0.00 N ATOM 892 CA ASN A 85 13.537 2.377 -6.042 1.00 0.00 C ATOM 893 C ASN A 85 13.396 1.235 -5.008 1.00 0.00 C ATOM 894 O ASN A 85 14.189 0.300 -4.991 1.00 0.00 O ATOM 895 CB ASN A 85 14.487 2.010 -7.205 1.00 0.00 C ATOM 896 CG ASN A 85 15.018 3.237 -7.968 1.00 0.00 C ATOM 897 OD1 ASN A 85 16.071 3.789 -7.682 1.00 0.00 O ATOM 898 ND2 ASN A 85 14.263 3.737 -8.914 1.00 0.00 N ATOM 0 H ASN A 85 13.335 4.393 -5.514 1.00 0.00 H new ATOM 0 HA ASN A 85 12.545 2.534 -6.465 1.00 0.00 H new ATOM 0 HB2 ASN A 85 15.330 1.443 -6.811 1.00 0.00 H new ATOM 0 HB3 ASN A 85 13.962 1.357 -7.902 1.00 0.00 H new ATOM 0 HD21 ASN A 85 14.555 4.581 -9.407 1.00 0.00 H new ATOM 0 HD22 ASN A 85 13.383 3.282 -9.158 1.00 0.00 H new ATOM 902 N LYS A 86 12.435 1.394 -4.092 1.00 0.00 N ATOM 903 CA LYS A 86 12.049 0.356 -3.099 1.00 0.00 C ATOM 904 C LYS A 86 10.713 0.622 -2.375 1.00 0.00 C ATOM 905 O LYS A 86 10.268 1.764 -2.293 1.00 0.00 O ATOM 906 CB LYS A 86 13.143 0.110 -2.041 1.00 0.00 C ATOM 907 CG LYS A 86 13.603 1.360 -1.278 1.00 0.00 C ATOM 908 CD LYS A 86 14.503 1.022 -0.083 1.00 0.00 C ATOM 909 CE LYS A 86 13.707 0.426 1.085 1.00 0.00 C ATOM 910 NZ LYS A 86 14.565 0.134 2.241 1.00 0.00 N ATOM 0 H LYS A 86 11.890 2.252 -4.009 1.00 0.00 H new ATOM 0 HA LYS A 86 11.920 -0.536 -3.712 1.00 0.00 H new ATOM 0 HB2 LYS A 86 12.773 -0.620 -1.321 1.00 0.00 H new ATOM 0 HB3 LYS A 86 14.008 -0.336 -2.532 1.00 0.00 H new ATOM 0 HG2 LYS A 86 14.141 2.019 -1.959 1.00 0.00 H new ATOM 0 HG3 LYS A 86 12.729 1.909 -0.927 1.00 0.00 H new ATOM 0 HD2 LYS A 86 15.271 0.315 -0.396 1.00 0.00 H new ATOM 0 HD3 LYS A 86 15.016 1.924 0.251 1.00 0.00 H new ATOM 0 HE2 LYS A 86 12.922 1.122 1.382 1.00 0.00 H new ATOM 0 HE3 LYS A 86 13.214 -0.490 0.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 13.989 -0.267 3.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 15.299 -0.550 1.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 15.016 1.012 2.569 1.00 0.00 H new ATOM 915 N ILE A 87 10.045 -0.484 -2.054 1.00 0.00 N ATOM 916 CA ILE A 87 8.816 -0.593 -1.226 1.00 0.00 C ATOM 917 C ILE A 87 8.687 -2.040 -0.697 1.00 0.00 C ATOM 918 O ILE A 87 8.995 -3.001 -1.403 1.00 0.00 O ATOM 919 CB ILE A 87 7.547 -0.160 -2.009 1.00 0.00 C ATOM 920 CG1 ILE A 87 6.273 -0.242 -1.143 1.00 0.00 C ATOM 921 CG2 ILE A 87 7.391 -0.930 -3.329 1.00 0.00 C ATOM 922 CD1 ILE A 87 4.981 0.280 -1.785 1.00 0.00 C ATOM 0 H ILE A 87 10.358 -1.398 -2.381 1.00 0.00 H new ATOM 0 HA ILE A 87 8.902 0.092 -0.382 1.00 0.00 H new ATOM 0 HB ILE A 87 7.686 0.889 -2.269 1.00 0.00 H new ATOM 0 HG12 ILE A 87 6.118 -1.283 -0.860 1.00 0.00 H new ATOM 0 HG13 ILE A 87 6.448 0.316 -0.223 1.00 0.00 H new ATOM 0 HG21 ILE A 87 6.490 -0.594 -3.842 1.00 0.00 H new ATOM 0 HG22 ILE A 87 8.259 -0.746 -3.962 1.00 0.00 H new ATOM 0 HG23 ILE A 87 7.313 -1.997 -3.121 1.00 0.00 H new ATOM 0 HD11 ILE A 87 4.155 0.170 -1.082 1.00 0.00 H new ATOM 0 HD12 ILE A 87 5.102 1.332 -2.042 1.00 0.00 H new ATOM 0 HD13 ILE A 87 4.767 -0.291 -2.688 1.00 0.00 H new ATOM 924 N LEU A 88 8.203 -2.168 0.535 1.00 0.00 N ATOM 925 CA LEU A 88 7.945 -3.482 1.166 1.00 0.00 C ATOM 926 C LEU A 88 6.481 -3.668 1.603 1.00 0.00 C ATOM 927 O LEU A 88 5.860 -2.721 2.085 1.00 0.00 O ATOM 928 CB LEU A 88 8.928 -3.713 2.326 1.00 0.00 C ATOM 929 CG LEU A 88 8.885 -2.656 3.441 1.00 0.00 C ATOM 930 CD1 LEU A 88 7.960 -3.080 4.587 1.00 0.00 C ATOM 931 CD2 LEU A 88 10.300 -2.369 3.947 1.00 0.00 C ATOM 0 H LEU A 88 7.975 -1.373 1.132 1.00 0.00 H new ATOM 0 HA LEU A 88 8.116 -4.246 0.408 1.00 0.00 H new ATOM 0 HB2 LEU A 88 8.724 -4.690 2.765 1.00 0.00 H new ATOM 0 HB3 LEU A 88 9.940 -3.751 1.922 1.00 0.00 H new ATOM 0 HG LEU A 88 8.472 -1.738 3.024 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.956 -2.307 5.356 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.948 -3.218 4.206 1.00 0.00 H new ATOM 0 HD13 LEU A 88 8.317 -4.016 5.015 1.00 0.00 H new ATOM 0 HD21 LEU A 88 10.259 -1.619 4.737 1.00 0.00 H new ATOM 0 HD22 LEU A 88 10.739 -3.286 4.340 1.00 0.00 H new ATOM 0 HD23 LEU A 88 10.912 -1.997 3.125 1.00 0.00 H new ATOM 933 N LEU A 89 5.971 -4.880 1.379 1.00 0.00 N ATOM 934 CA LEU A 89 4.589 -5.288 1.727 1.00 0.00 C ATOM 935 C LEU A 89 4.497 -6.470 2.706 1.00 0.00 C ATOM 936 O LEU A 89 4.909 -7.582 2.383 1.00 0.00 O ATOM 937 CB LEU A 89 3.823 -5.603 0.431 1.00 0.00 C ATOM 938 CG LEU A 89 2.325 -5.895 0.607 1.00 0.00 C ATOM 939 CD1 LEU A 89 1.530 -5.215 -0.509 1.00 0.00 C ATOM 940 CD2 LEU A 89 2.052 -7.401 0.561 1.00 0.00 C ATOM 0 H LEU A 89 6.510 -5.628 0.942 1.00 0.00 H new ATOM 0 HA LEU A 89 4.139 -4.448 2.257 1.00 0.00 H new ATOM 0 HB2 LEU A 89 3.934 -4.760 -0.251 1.00 0.00 H new ATOM 0 HB3 LEU A 89 4.290 -6.464 -0.047 1.00 0.00 H new ATOM 0 HG LEU A 89 2.017 -5.507 1.578 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.468 -5.425 -0.380 1.00 0.00 H new ATOM 0 HD12 LEU A 89 1.694 -4.138 -0.469 1.00 0.00 H new ATOM 0 HD13 LEU A 89 1.860 -5.596 -1.475 1.00 0.00 H new ATOM 0 HD21 LEU A 89 0.985 -7.581 0.688 1.00 0.00 H new ATOM 0 HD22 LEU A 89 2.376 -7.800 -0.400 1.00 0.00 H new ATOM 0 HD23 LEU A 89 2.601 -7.895 1.363 1.00 0.00 H new ATOM 942 N THR A 90 3.721 -6.234 3.760 1.00 0.00 N ATOM 943 CA THR A 90 3.359 -7.244 4.786 1.00 0.00 C ATOM 944 C THR A 90 1.839 -7.493 4.750 1.00 0.00 C ATOM 945 O THR A 90 1.078 -6.532 4.700 1.00 0.00 O ATOM 946 CB THR A 90 3.737 -6.704 6.179 1.00 0.00 C ATOM 947 OG1 THR A 90 5.094 -6.258 6.172 1.00 0.00 O ATOM 948 CG2 THR A 90 3.561 -7.736 7.299 1.00 0.00 C ATOM 0 H THR A 90 3.310 -5.318 3.941 1.00 0.00 H new ATOM 0 HA THR A 90 3.891 -8.174 4.583 1.00 0.00 H new ATOM 0 HB THR A 90 3.054 -5.880 6.385 1.00 0.00 H new ATOM 0 HG1 THR A 90 5.131 -5.328 5.865 1.00 0.00 H new ATOM 0 HG21 THR A 90 3.845 -7.290 8.252 1.00 0.00 H new ATOM 0 HG22 THR A 90 2.519 -8.052 7.342 1.00 0.00 H new ATOM 0 HG23 THR A 90 4.194 -8.601 7.100 1.00 0.00 H new ATOM 951 N ILE A 91 1.445 -8.737 5.020 1.00 0.00 N ATOM 952 CA ILE A 91 0.033 -9.182 5.111 1.00 0.00 C ATOM 953 C ILE A 91 -0.325 -9.550 6.571 1.00 0.00 C ATOM 954 O ILE A 91 0.539 -10.009 7.313 1.00 0.00 O ATOM 955 CB ILE A 91 -0.207 -10.365 4.139 1.00 0.00 C ATOM 956 CG1 ILE A 91 -1.709 -10.668 3.990 1.00 0.00 C ATOM 957 CG2 ILE A 91 0.587 -11.619 4.548 1.00 0.00 C ATOM 958 CD1 ILE A 91 -2.067 -11.624 2.843 1.00 0.00 C ATOM 0 H ILE A 91 2.109 -9.493 5.188 1.00 0.00 H new ATOM 0 HA ILE A 91 -0.626 -8.366 4.814 1.00 0.00 H new ATOM 0 HB ILE A 91 0.168 -10.061 3.162 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -2.073 -11.094 4.925 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -2.241 -9.728 3.839 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.388 -12.423 3.839 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.653 -11.391 4.549 1.00 0.00 H new ATOM 0 HG23 ILE A 91 0.283 -11.933 5.547 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -3.146 -11.776 2.819 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.740 -11.195 1.896 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -1.570 -12.581 2.999 1.00 0.00 H new ATOM 960 N MET A 92 -1.586 -9.339 6.937 1.00 0.00 N ATOM 961 CA MET A 92 -2.214 -9.726 8.223 1.00 0.00 C ATOM 962 C MET A 92 -3.741 -9.768 8.070 1.00 0.00 C ATOM 963 O MET A 92 -4.298 -9.147 7.165 1.00 0.00 O ATOM 964 CB MET A 92 -1.961 -8.729 9.363 1.00 0.00 C ATOM 965 CG MET A 92 -0.542 -8.705 9.932 1.00 0.00 C ATOM 966 SD MET A 92 -0.475 -8.321 11.721 1.00 0.00 S ATOM 967 CE MET A 92 -1.272 -6.731 11.820 1.00 0.00 C ATOM 0 H MET A 92 -2.245 -8.867 6.318 1.00 0.00 H new ATOM 0 HA MET A 92 -1.770 -10.691 8.468 1.00 0.00 H new ATOM 0 HB2 MET A 92 -2.204 -7.729 9.004 1.00 0.00 H new ATOM 0 HB3 MET A 92 -2.653 -8.953 10.175 1.00 0.00 H new ATOM 0 HG2 MET A 92 -0.074 -9.674 9.759 1.00 0.00 H new ATOM 0 HG3 MET A 92 0.046 -7.966 9.388 1.00 0.00 H new ATOM 0 HE1 MET A 92 -1.045 -6.270 12.781 1.00 0.00 H new ATOM 0 HE2 MET A 92 -0.909 -6.091 11.016 1.00 0.00 H new ATOM 0 HE3 MET A 92 -2.350 -6.858 11.724 1.00 0.00 H new ATOM 969 N ASN A 93 -4.398 -10.435 9.012 1.00 0.00 N ATOM 970 CA ASN A 93 -5.868 -10.424 9.115 1.00 0.00 C ATOM 971 C ASN A 93 -6.352 -10.166 10.549 1.00 0.00 C ATOM 972 O ASN A 93 -6.023 -10.922 11.460 1.00 0.00 O ATOM 973 CB ASN A 93 -6.437 -11.744 8.593 1.00 0.00 C ATOM 974 CG ASN A 93 -6.388 -11.872 7.068 1.00 0.00 C ATOM 975 OD1 ASN A 93 -5.434 -12.323 6.458 1.00 0.00 O ATOM 976 ND2 ASN A 93 -7.423 -11.387 6.427 1.00 0.00 N ATOM 0 H ASN A 93 -3.937 -10.999 9.727 1.00 0.00 H new ATOM 0 HA ASN A 93 -6.232 -9.600 8.502 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -5.881 -12.570 9.037 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -7.471 -11.841 8.924 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -7.436 -11.384 5.407 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -8.216 -11.012 6.948 1.00 0.00 H new ATOM 980 N THR A 94 -7.209 -9.159 10.704 1.00 0.00 N ATOM 981 CA THR A 94 -7.793 -8.770 12.014 1.00 0.00 C ATOM 982 C THR A 94 -8.629 -9.910 12.630 1.00 0.00 C ATOM 983 O THR A 94 -8.802 -9.968 13.845 1.00 0.00 O ATOM 984 CB THR A 94 -8.686 -7.520 11.906 1.00 0.00 C ATOM 985 OG1 THR A 94 -8.238 -6.643 10.864 1.00 0.00 O ATOM 986 CG2 THR A 94 -8.713 -6.745 13.227 1.00 0.00 C ATOM 0 H THR A 94 -7.528 -8.578 9.929 1.00 0.00 H new ATOM 0 HA THR A 94 -6.942 -8.549 12.658 1.00 0.00 H new ATOM 0 HB THR A 94 -9.690 -7.871 11.670 1.00 0.00 H new ATOM 0 HG1 THR A 94 -8.826 -5.860 10.820 1.00 0.00 H new ATOM 0 HG21 THR A 94 -9.351 -5.868 13.121 1.00 0.00 H new ATOM 0 HG22 THR A 94 -9.105 -7.386 14.017 1.00 0.00 H new ATOM 0 HG23 THR A 94 -7.702 -6.429 13.484 1.00 0.00 H new ATOM 989 N GLU A 95 -9.282 -10.688 11.766 1.00 0.00 N ATOM 990 CA GLU A 95 -10.020 -11.904 12.169 1.00 0.00 C ATOM 991 C GLU A 95 -9.497 -13.234 11.585 1.00 0.00 C ATOM 992 O GLU A 95 -10.266 -14.165 11.345 1.00 0.00 O ATOM 993 CB GLU A 95 -11.515 -11.702 11.877 1.00 0.00 C ATOM 994 CG GLU A 95 -12.208 -10.829 12.931 1.00 0.00 C ATOM 995 CD GLU A 95 -12.476 -11.535 14.271 1.00 0.00 C ATOM 996 OE1 GLU A 95 -11.650 -12.372 14.698 1.00 0.00 O ATOM 997 OE2 GLU A 95 -13.528 -11.202 14.860 1.00 0.00 O ATOM 0 H GLU A 95 -9.319 -10.500 10.764 1.00 0.00 H new ATOM 0 HA GLU A 95 -9.848 -12.022 13.239 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -11.631 -11.242 10.896 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -12.008 -12.673 11.834 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -11.593 -9.948 13.116 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -13.156 -10.476 12.525 1.00 0.00 H new ATOM 999 N ALA A 96 -8.172 -13.325 11.427 1.00 0.00 N ATOM 1000 CA ALA A 96 -7.445 -14.517 10.922 1.00 0.00 C ATOM 1001 C ALA A 96 -5.916 -14.323 11.068 1.00 0.00 C ATOM 1002 O ALA A 96 -5.482 -13.631 11.986 1.00 0.00 O ATOM 1003 CB ALA A 96 -7.883 -14.868 9.484 1.00 0.00 C ATOM 0 H ALA A 96 -7.547 -12.551 11.652 1.00 0.00 H new ATOM 0 HA ALA A 96 -7.709 -15.380 11.534 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.334 -15.745 9.140 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -8.952 -15.081 9.471 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -7.673 -14.026 8.824 1.00 0.00 H new ATOM 1005 N LEU A 97 -5.106 -14.907 10.182 1.00 0.00 N ATOM 1006 CA LEU A 97 -3.631 -14.878 10.269 1.00 0.00 C ATOM 1007 C LEU A 97 -2.960 -14.230 9.046 1.00 0.00 C ATOM 1008 O LEU A 97 -3.608 -13.984 8.030 1.00 0.00 O ATOM 1009 CB LEU A 97 -3.102 -16.301 10.494 1.00 0.00 C ATOM 1010 CG LEU A 97 -2.683 -16.568 11.946 1.00 0.00 C ATOM 1011 CD1 LEU A 97 -3.873 -16.635 12.909 1.00 0.00 C ATOM 1012 CD2 LEU A 97 -1.865 -17.858 12.015 1.00 0.00 C ATOM 0 H LEU A 97 -5.453 -15.421 9.372 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.370 -14.247 11.119 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -3.872 -17.017 10.207 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -2.248 -16.472 9.839 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.074 -15.724 12.269 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.513 -16.826 13.920 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -4.411 -15.687 12.889 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -4.543 -17.439 12.604 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -1.568 -18.046 13.047 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -2.468 -18.691 11.653 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.975 -17.758 11.394 1.00 0.00 H new ATOM 1014 N GLY A 98 -1.650 -13.990 9.187 1.00 0.00 N ATOM 1015 CA GLY A 98 -0.818 -13.330 8.161 1.00 0.00 C ATOM 1016 C GLY A 98 0.666 -13.469 8.519 1.00 0.00 C ATOM 1017 O GLY A 98 1.124 -14.565 8.845 1.00 0.00 O ATOM 0 H GLY A 98 -1.128 -14.250 10.024 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -1.008 -13.776 7.185 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -1.085 -12.276 8.087 1.00 0.00 H new ATOM 1019 N THR A 99 1.391 -12.370 8.334 1.00 0.00 N ATOM 1020 CA THR A 99 2.826 -12.200 8.678 1.00 0.00 C ATOM 1021 C THR A 99 3.725 -13.416 8.409 1.00 0.00 C ATOM 1022 O THR A 99 4.094 -14.174 9.307 1.00 0.00 O ATOM 1023 CB THR A 99 3.030 -11.651 10.102 1.00 0.00 C ATOM 1024 OG1 THR A 99 2.172 -12.295 11.050 1.00 0.00 O ATOM 1025 CG2 THR A 99 2.872 -10.131 10.141 1.00 0.00 C ATOM 0 H THR A 99 0.990 -11.527 7.923 1.00 0.00 H new ATOM 0 HA THR A 99 3.166 -11.447 7.968 1.00 0.00 H new ATOM 0 HB THR A 99 4.055 -11.882 10.393 1.00 0.00 H new ATOM 0 HG1 THR A 99 2.331 -11.922 11.942 1.00 0.00 H new ATOM 0 HG21 THR A 99 3.022 -9.776 11.160 1.00 0.00 H new ATOM 0 HG22 THR A 99 3.610 -9.671 9.484 1.00 0.00 H new ATOM 0 HG23 THR A 99 1.871 -9.861 9.806 1.00 0.00 H new ATOM 1028 N SER A 100 4.146 -13.481 7.147 1.00 0.00 N ATOM 1029 CA SER A 100 4.971 -14.574 6.582 1.00 0.00 C ATOM 1030 C SER A 100 5.652 -14.221 5.242 1.00 0.00 C ATOM 1031 O SER A 100 6.852 -13.968 5.294 1.00 0.00 O ATOM 1032 CB SER A 100 4.229 -15.919 6.485 1.00 0.00 C ATOM 1033 OG SER A 100 4.776 -16.865 7.403 1.00 0.00 O ATOM 0 H SER A 100 3.922 -12.760 6.461 1.00 0.00 H new ATOM 0 HA SER A 100 5.768 -14.697 7.315 1.00 0.00 H new ATOM 0 HB2 SER A 100 3.170 -15.771 6.695 1.00 0.00 H new ATOM 0 HB3 SER A 100 4.301 -16.307 5.469 1.00 0.00 H new ATOM 0 HG SER A 100 4.290 -17.713 7.328 1.00 0.00 H new ATOM 1036 N PRO A 101 4.937 -14.010 4.113 1.00 0.00 N ATOM 1037 CA PRO A 101 5.572 -13.829 2.793 1.00 0.00 C ATOM 1038 C PRO A 101 6.473 -12.584 2.683 1.00 0.00 C ATOM 1039 O PRO A 101 7.689 -12.731 2.654 1.00 0.00 O ATOM 1040 CB PRO A 101 4.420 -13.851 1.783 1.00 0.00 C ATOM 1041 CG PRO A 101 3.243 -13.282 2.572 1.00 0.00 C ATOM 1042 CD PRO A 101 3.477 -13.798 3.994 1.00 0.00 C ATOM 0 HA PRO A 101 6.285 -14.630 2.598 1.00 0.00 H new ATOM 0 HB2 PRO A 101 4.645 -13.246 0.905 1.00 0.00 H new ATOM 0 HB3 PRO A 101 4.215 -14.862 1.430 1.00 0.00 H new ATOM 0 HG2 PRO A 101 3.228 -12.193 2.539 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.289 -13.627 2.173 1.00 0.00 H new ATOM 0 HD2 PRO A 101 3.125 -13.079 4.733 1.00 0.00 H new ATOM 0 HD3 PRO A 101 2.932 -14.726 4.168 1.00 0.00 H new ATOM 1043 N ARG A 102 5.862 -11.398 2.733 1.00 0.00 N ATOM 1044 CA ARG A 102 6.512 -10.081 2.552 1.00 0.00 C ATOM 1045 C ARG A 102 7.170 -9.893 1.176 1.00 0.00 C ATOM 1046 O ARG A 102 8.047 -10.643 0.754 1.00 0.00 O ATOM 1047 CB ARG A 102 7.485 -9.692 3.672 1.00 0.00 C ATOM 1048 CG ARG A 102 6.774 -9.217 4.946 1.00 0.00 C ATOM 1049 CD ARG A 102 6.209 -10.343 5.826 1.00 0.00 C ATOM 1050 NE ARG A 102 7.261 -11.244 6.341 1.00 0.00 N ATOM 1051 CZ ARG A 102 8.288 -10.947 7.146 1.00 0.00 C ATOM 1052 NH1 ARG A 102 8.568 -9.713 7.549 1.00 0.00 N ATOM 1053 NH2 ARG A 102 9.036 -11.931 7.616 1.00 0.00 N ATOM 0 H ARG A 102 4.860 -11.317 2.907 1.00 0.00 H new ATOM 0 HA ARG A 102 5.672 -9.388 2.610 1.00 0.00 H new ATOM 0 HB2 ARG A 102 8.115 -10.548 3.912 1.00 0.00 H new ATOM 0 HB3 ARG A 102 8.145 -8.901 3.314 1.00 0.00 H new ATOM 0 HG2 ARG A 102 7.475 -8.629 5.538 1.00 0.00 H new ATOM 0 HG3 ARG A 102 5.958 -8.552 4.663 1.00 0.00 H new ATOM 0 HD2 ARG A 102 5.667 -9.906 6.665 1.00 0.00 H new ATOM 0 HD3 ARG A 102 5.489 -10.923 5.249 1.00 0.00 H new ATOM 0 HE ARG A 102 7.196 -12.218 6.045 1.00 0.00 H new ATOM 0 HH11 ARG A 102 7.986 -8.933 7.244 1.00 0.00 H new ATOM 0 HH12 ARG A 102 9.365 -9.546 8.164 1.00 0.00 H new ATOM 0 HH21 ARG A 102 8.826 -12.897 7.364 1.00 0.00 H new ATOM 0 HH22 ARG A 102 9.823 -11.724 8.231 1.00 0.00 H new ATOM 1060 N MET A 103 6.670 -8.885 0.479 1.00 0.00 N ATOM 1061 CA MET A 103 7.103 -8.611 -0.904 1.00 0.00 C ATOM 1062 C MET A 103 7.825 -7.260 -1.021 1.00 0.00 C ATOM 1063 O MET A 103 7.278 -6.216 -0.673 1.00 0.00 O ATOM 1064 CB MET A 103 5.907 -8.695 -1.853 1.00 0.00 C ATOM 1065 CG MET A 103 6.322 -9.132 -3.264 1.00 0.00 C ATOM 1066 SD MET A 103 6.874 -10.876 -3.377 1.00 0.00 S ATOM 1067 CE MET A 103 8.645 -10.708 -3.261 1.00 0.00 C ATOM 0 H MET A 103 5.966 -8.239 0.836 1.00 0.00 H new ATOM 0 HA MET A 103 7.827 -9.374 -1.192 1.00 0.00 H new ATOM 0 HB2 MET A 103 5.177 -9.400 -1.455 1.00 0.00 H new ATOM 0 HB3 MET A 103 5.416 -7.723 -1.904 1.00 0.00 H new ATOM 0 HG2 MET A 103 5.480 -8.984 -3.940 1.00 0.00 H new ATOM 0 HG3 MET A 103 7.127 -8.484 -3.611 1.00 0.00 H new ATOM 0 HE1 MET A 103 9.107 -11.094 -4.170 1.00 0.00 H new ATOM 0 HE2 MET A 103 8.904 -9.656 -3.141 1.00 0.00 H new ATOM 0 HE3 MET A 103 9.008 -11.272 -2.402 1.00 0.00 H new ATOM 1069 N THR A 104 9.079 -7.366 -1.429 1.00 0.00 N ATOM 1070 CA THR A 104 9.979 -6.201 -1.594 1.00 0.00 C ATOM 1071 C THR A 104 10.105 -5.891 -3.096 1.00 0.00 C ATOM 1072 O THR A 104 10.870 -6.508 -3.831 1.00 0.00 O ATOM 1073 CB THR A 104 11.371 -6.461 -1.005 1.00 0.00 C ATOM 1074 OG1 THR A 104 11.270 -7.216 0.207 1.00 0.00 O ATOM 1075 CG2 THR A 104 12.079 -5.133 -0.707 1.00 0.00 C ATOM 0 H THR A 104 9.517 -8.258 -1.660 1.00 0.00 H new ATOM 0 HA THR A 104 9.551 -5.356 -1.055 1.00 0.00 H new ATOM 0 HB THR A 104 11.947 -7.027 -1.737 1.00 0.00 H new ATOM 0 HG1 THR A 104 12.167 -7.375 0.569 1.00 0.00 H new ATOM 0 HG21 THR A 104 13.066 -5.333 -0.289 1.00 0.00 H new ATOM 0 HG22 THR A 104 12.184 -4.562 -1.629 1.00 0.00 H new ATOM 0 HG23 THR A 104 11.491 -4.560 0.010 1.00 0.00 H new ATOM 1078 N PHE A 105 9.301 -4.922 -3.491 1.00 0.00 N ATOM 1079 CA PHE A 105 9.206 -4.468 -4.898 1.00 0.00 C ATOM 1080 C PHE A 105 10.059 -3.192 -5.008 1.00 0.00 C ATOM 1081 O PHE A 105 10.099 -2.382 -4.086 1.00 0.00 O ATOM 1082 CB PHE A 105 7.772 -4.087 -5.291 1.00 0.00 C ATOM 1083 CG PHE A 105 6.649 -4.736 -4.469 1.00 0.00 C ATOM 1084 CD1 PHE A 105 6.305 -4.164 -3.251 1.00 0.00 C ATOM 1085 CD2 PHE A 105 5.881 -5.772 -4.983 1.00 0.00 C ATOM 1086 CE1 PHE A 105 5.172 -4.572 -2.574 1.00 0.00 C ATOM 1087 CE2 PHE A 105 4.755 -6.203 -4.292 1.00 0.00 C ATOM 1088 CZ PHE A 105 4.395 -5.598 -3.093 1.00 0.00 C ATOM 0 H PHE A 105 8.686 -4.415 -2.855 1.00 0.00 H new ATOM 0 HA PHE A 105 9.537 -5.276 -5.550 1.00 0.00 H new ATOM 0 HB2 PHE A 105 7.672 -3.004 -5.214 1.00 0.00 H new ATOM 0 HB3 PHE A 105 7.623 -4.347 -6.339 1.00 0.00 H new ATOM 0 HD1 PHE A 105 6.930 -3.392 -2.828 1.00 0.00 H new ATOM 0 HD2 PHE A 105 6.157 -6.241 -5.916 1.00 0.00 H new ATOM 0 HE1 PHE A 105 4.893 -4.095 -1.646 1.00 0.00 H new ATOM 0 HE2 PHE A 105 4.157 -7.011 -4.688 1.00 0.00 H new ATOM 0 HZ PHE A 105 3.511 -5.926 -2.566 1.00 0.00 H new ATOM 1095 N ILE A 106 10.811 -3.096 -6.088 1.00 0.00 N ATOM 1096 CA ILE A 106 11.618 -1.877 -6.343 1.00 0.00 C ATOM 1097 C ILE A 106 11.120 -1.144 -7.603 1.00 0.00 C ATOM 1098 O ILE A 106 10.657 -1.775 -8.555 1.00 0.00 O ATOM 1099 CB ILE A 106 13.128 -2.175 -6.368 1.00 0.00 C ATOM 1100 CG1 ILE A 106 13.552 -3.102 -7.520 1.00 0.00 C ATOM 1101 CG2 ILE A 106 13.571 -2.730 -5.000 1.00 0.00 C ATOM 1102 CD1 ILE A 106 15.057 -3.042 -7.814 1.00 0.00 C ATOM 0 H ILE A 106 10.892 -3.821 -6.801 1.00 0.00 H new ATOM 0 HA ILE A 106 11.474 -1.195 -5.505 1.00 0.00 H new ATOM 0 HB ILE A 106 13.640 -1.232 -6.558 1.00 0.00 H new ATOM 0 HG12 ILE A 106 13.276 -4.127 -7.274 1.00 0.00 H new ATOM 0 HG13 ILE A 106 13.000 -2.830 -8.420 1.00 0.00 H new ATOM 0 HG21 ILE A 106 14.640 -2.940 -5.021 1.00 0.00 H new ATOM 0 HG22 ILE A 106 13.361 -1.994 -4.224 1.00 0.00 H new ATOM 0 HG23 ILE A 106 13.025 -3.649 -4.786 1.00 0.00 H new ATOM 0 HD11 ILE A 106 15.294 -3.717 -8.636 1.00 0.00 H new ATOM 0 HD12 ILE A 106 15.334 -2.024 -8.089 1.00 0.00 H new ATOM 0 HD13 ILE A 106 15.613 -3.342 -6.926 1.00 0.00 H new ATOM 1104 N LYS A 107 11.093 0.180 -7.503 1.00 0.00 N ATOM 1105 CA LYS A 107 10.630 1.084 -8.587 1.00 0.00 C ATOM 1106 C LYS A 107 11.627 1.017 -9.756 1.00 0.00 C ATOM 1107 O LYS A 107 12.589 1.775 -9.802 1.00 0.00 O ATOM 1108 CB LYS A 107 10.525 2.517 -8.048 1.00 0.00 C ATOM 1109 CG LYS A 107 9.636 3.449 -8.882 1.00 0.00 C ATOM 1110 CD LYS A 107 8.163 3.109 -8.651 1.00 0.00 C ATOM 1111 CE LYS A 107 7.236 4.284 -8.947 1.00 0.00 C ATOM 1112 NZ LYS A 107 6.040 4.171 -8.100 1.00 0.00 N ATOM 0 H LYS A 107 11.392 0.676 -6.664 1.00 0.00 H new ATOM 0 HA LYS A 107 9.647 0.773 -8.941 1.00 0.00 H new ATOM 0 HB2 LYS A 107 10.137 2.481 -7.030 1.00 0.00 H new ATOM 0 HB3 LYS A 107 11.526 2.945 -7.992 1.00 0.00 H new ATOM 0 HG2 LYS A 107 9.826 4.487 -8.609 1.00 0.00 H new ATOM 0 HG3 LYS A 107 9.880 3.348 -9.940 1.00 0.00 H new ATOM 0 HD2 LYS A 107 7.886 2.264 -9.282 1.00 0.00 H new ATOM 0 HD3 LYS A 107 8.025 2.793 -7.617 1.00 0.00 H new ATOM 0 HE2 LYS A 107 7.748 5.226 -8.753 1.00 0.00 H new ATOM 0 HE3 LYS A 107 6.954 4.286 -10.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 5.275 4.752 -8.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 5.735 3.177 -8.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 6.262 4.504 -7.140 1.00 0.00 H new ATOM 1117 N HIS A 108 11.375 0.046 -10.631 1.00 0.00 N ATOM 1118 CA HIS A 108 12.231 -0.377 -11.770 1.00 0.00 C ATOM 1119 C HIS A 108 13.271 -1.388 -11.262 1.00 0.00 C ATOM 1120 O HIS A 108 14.059 -1.101 -10.366 1.00 0.00 O ATOM 1121 CB HIS A 108 12.984 0.752 -12.504 1.00 0.00 C ATOM 1122 CG HIS A 108 12.090 1.806 -13.166 1.00 0.00 C ATOM 1123 ND1 HIS A 108 11.878 1.923 -14.474 1.00 0.00 N ATOM 1124 CD2 HIS A 108 11.428 2.791 -12.560 1.00 0.00 C ATOM 1125 CE1 HIS A 108 11.078 2.965 -14.671 1.00 0.00 C ATOM 1126 NE2 HIS A 108 10.797 3.500 -13.488 1.00 0.00 N ATOM 0 H HIS A 108 10.521 -0.508 -10.573 1.00 0.00 H new ATOM 0 HA HIS A 108 11.539 -0.798 -12.500 1.00 0.00 H new ATOM 0 HB2 HIS A 108 13.642 1.251 -11.793 1.00 0.00 H new ATOM 0 HB3 HIS A 108 13.621 0.306 -13.268 1.00 0.00 H new ATOM 0 HD2 HIS A 108 11.408 2.980 -11.497 1.00 0.00 H new ATOM 0 HE1 HIS A 108 10.718 3.316 -15.627 1.00 0.00 H new ATOM 0 HE2 HIS A 108 10.202 4.312 -13.322 1.00 0.00 H new ATOM 1129 N LYS A 109 13.157 -2.613 -11.768 1.00 0.00 N ATOM 1130 CA LYS A 109 14.079 -3.719 -11.410 1.00 0.00 C ATOM 1131 C LYS A 109 15.550 -3.471 -11.800 1.00 0.00 C ATOM 1132 O LYS A 109 16.426 -3.988 -11.073 1.00 99.99 O ATOM 1133 CG LYS A 109 12.274 -5.571 -11.475 1.00 0.00 C ATOM 1134 CD LYS A 109 12.324 -5.862 -9.969 1.00 0.00 C ATOM 1135 CE LYS A 109 11.054 -6.559 -9.472 1.00 0.00 C ATOM 1136 NZ LYS A 109 11.034 -7.983 -9.840 1.00 0.00 N ATOM 1137 OXT LYS A 109 15.758 -2.839 -12.863 1.00 99.99 O ATOM 0 H LYS A 109 12.432 -2.879 -12.434 1.00 0.00 H new ATOM 0 HD2 LYS A 109 13.189 -6.488 -9.750 1.00 0.00 H new ATOM 0 HD3 LYS A 109 12.460 -4.928 -9.424 1.00 0.00 H new ATOM 0 HE2 LYS A 109 10.986 -6.462 -8.388 1.00 0.00 H new ATOM 0 HE3 LYS A 109 10.179 -6.063 -9.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 10.159 -8.421 -9.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 11.073 -8.075 -10.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 11.855 -8.462 -9.419 1.00 0.00 H new