USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 608 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 83 TYR OH : rot -4:sc= 0.173 USER MOD Set 1.2: A 118 THR OG1 : rot 170:sc= 0.00435 USER MOD Set 2.1: A 99 LYS NZ :NH3+ 173:sc= 1.21 (180deg=0) USER MOD Set 2.2: A 100 ASN : amide:sc= 1.02 K(o=2.2,f=-5.7!) USER MOD Set 3.1: A 95 ASN : amide:sc= -1.59! K(o=-3!,f=-0.27) USER MOD Set 3.2: A 98 GLN : amide:sc= -1.41! K(o=-3!,f=-0.27) USER MOD Set 4.1: A 59 TYR OH : rot 180:sc= 0.376 USER MOD Set 4.2: A 62 LYS NZ :NH3+ 171:sc= 0.399 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.68 K(o=-0.68,f=0) USER MOD Single : A 51 GLN : amide:sc= 0.267 K(o=0.27,f=-0.37) USER MOD Single : A 52 GLN : amide:sc= -0.166 X(o=-0.17,f=-0.2) USER MOD Single : A 53 THR OG1 : rot 63:sc= 0.0507 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -136:sc= 1.28 (180deg=-0.517) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -78:sc= 0.0657 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 SER OG : rot 83:sc= 0.188 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -155:sc= -0.155 (180deg=-0.615) USER MOD Single : A 84 ASN : amide:sc= 0.613 K(o=0.61,f=-5.7!) USER MOD Single : A 85 THR OG1 : rot -69:sc= 0.754 USER MOD Single : A 86 SER OG : rot -25:sc= 0.141 USER MOD Single : A 92 THR OG1 : rot -19:sc= 1.26 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= -0.307 K(o=-0.31,f=-5!) USER MOD Single : A 105 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 109 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 112 LYS NZ :NH3+ -163:sc= -0.109 (180deg=-0.415) USER MOD Single : A 117 ASN : amide:sc= -0.599 K(o=-0.6,f=0) USER MOD Single : A 119 LYS NZ :NH3+ 139:sc= 1.07 (180deg=-1.12) USER MOD Single : A 121 GLN : amide:sc= -0.673 X(o=-0.67,f=-0.92) USER MOD Single : A 122 MET CE :methyl 139:sc= -0.221 (180deg=-0.825) USER MOD Single : A 127 ASN : amide:sc= -0.728 K(o=-0.73,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 49 -9.149 8.437 -11.366 1.00 0.00 N ATOM 2 CA ALA A 49 -9.412 8.857 -9.971 1.00 0.00 C ATOM 3 C ALA A 49 -8.624 10.116 -9.619 1.00 0.00 C ATOM 4 O ALA A 49 -7.657 10.065 -8.856 1.00 0.00 O ATOM 5 CB ALA A 49 -9.071 7.727 -9.009 1.00 0.00 C ATOM 0 HA ALA A 49 -10.473 9.089 -9.879 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -9.269 8.048 -7.986 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -9.683 6.855 -9.240 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -8.017 7.468 -9.111 1.00 0.00 H new ATOM 13 N ASN A 50 -9.032 11.248 -10.178 1.00 0.00 N ATOM 14 CA ASN A 50 -8.394 12.522 -9.861 1.00 0.00 C ATOM 15 C ASN A 50 -9.179 13.220 -8.762 1.00 0.00 C ATOM 16 O ASN A 50 -8.611 13.838 -7.866 1.00 0.00 O ATOM 17 CB ASN A 50 -8.316 13.413 -11.102 1.00 0.00 C ATOM 18 CG ASN A 50 -7.568 14.711 -10.850 1.00 0.00 C ATOM 19 OD1 ASN A 50 -6.345 14.776 -10.995 1.00 0.00 O ATOM 20 ND2 ASN A 50 -8.296 15.761 -10.499 1.00 0.00 N ATOM 0 H ASN A 50 -9.797 11.312 -10.849 1.00 0.00 H new ATOM 0 HA ASN A 50 -7.377 12.332 -9.517 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -7.824 12.866 -11.906 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -9.326 13.641 -11.443 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -7.847 16.663 -10.339 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -9.306 15.668 -10.389 1.00 0.00 H new ATOM 27 N GLN A 51 -10.495 13.117 -8.852 1.00 0.00 N ATOM 28 CA GLN A 51 -11.391 13.626 -7.831 1.00 0.00 C ATOM 29 C GLN A 51 -12.437 12.570 -7.509 1.00 0.00 C ATOM 30 O GLN A 51 -12.313 11.428 -7.955 1.00 0.00 O ATOM 31 CB GLN A 51 -12.057 14.923 -8.295 1.00 0.00 C ATOM 32 CG GLN A 51 -11.145 16.134 -8.208 1.00 0.00 C ATOM 33 CD GLN A 51 -10.772 16.468 -6.775 1.00 0.00 C ATOM 34 OE1 GLN A 51 -11.470 17.228 -6.106 1.00 0.00 O ATOM 35 NE2 GLN A 51 -9.680 15.897 -6.292 1.00 0.00 N ATOM 0 H GLN A 51 -10.972 12.676 -9.639 1.00 0.00 H new ATOM 0 HA GLN A 51 -10.819 13.850 -6.931 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -12.391 14.803 -9.325 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -12.946 15.103 -7.690 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -10.239 15.946 -8.783 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -11.639 16.993 -8.663 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -9.128 15.272 -6.880 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -9.390 16.082 -5.332 1.00 0.00 H new ATOM 44 N GLN A 52 -13.452 12.952 -6.725 1.00 0.00 N ATOM 45 CA GLN A 52 -14.517 12.032 -6.309 1.00 0.00 C ATOM 46 C GLN A 52 -13.956 10.959 -5.365 1.00 0.00 C ATOM 47 O GLN A 52 -14.644 10.007 -4.988 1.00 0.00 O ATOM 48 CB GLN A 52 -15.188 11.401 -7.544 1.00 0.00 C ATOM 49 CG GLN A 52 -16.455 10.611 -7.244 1.00 0.00 C ATOM 50 CD GLN A 52 -17.480 11.418 -6.473 1.00 0.00 C ATOM 51 OE1 GLN A 52 -18.299 12.127 -7.054 1.00 0.00 O ATOM 52 NE2 GLN A 52 -17.448 11.303 -5.157 1.00 0.00 N ATOM 0 H GLN A 52 -13.558 13.900 -6.364 1.00 0.00 H new ATOM 0 HA GLN A 52 -15.278 12.591 -5.763 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -15.429 12.192 -8.254 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -14.471 10.741 -8.033 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -16.896 10.271 -8.181 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -16.196 9.720 -6.672 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -16.752 10.704 -4.714 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -18.120 11.814 -4.584 1.00 0.00 H new ATOM 61 N THR A 53 -12.711 11.158 -4.957 1.00 0.00 N ATOM 62 CA THR A 53 -12.000 10.232 -4.095 1.00 0.00 C ATOM 63 C THR A 53 -12.420 10.389 -2.632 1.00 0.00 C ATOM 64 O THR A 53 -11.636 10.816 -1.785 1.00 0.00 O ATOM 65 CB THR A 53 -10.488 10.469 -4.242 1.00 0.00 C ATOM 66 OG1 THR A 53 -10.264 11.833 -4.638 1.00 0.00 O ATOM 67 CG2 THR A 53 -9.889 9.531 -5.278 1.00 0.00 C ATOM 0 H THR A 53 -12.162 11.977 -5.219 1.00 0.00 H new ATOM 0 HA THR A 53 -12.249 9.215 -4.398 1.00 0.00 H new ATOM 0 HB THR A 53 -10.006 10.272 -3.285 1.00 0.00 H new ATOM 0 HG1 THR A 53 -10.582 12.435 -3.933 1.00 0.00 H new ATOM 0 HG21 THR A 53 -8.819 9.719 -5.363 1.00 0.00 H new ATOM 0 HG22 THR A 53 -10.053 8.498 -4.971 1.00 0.00 H new ATOM 0 HG23 THR A 53 -10.365 9.703 -6.243 1.00 0.00 H new ATOM 75 N SER A 54 -13.661 10.033 -2.344 1.00 0.00 N ATOM 76 CA SER A 54 -14.207 10.175 -1.005 1.00 0.00 C ATOM 77 C SER A 54 -13.673 9.076 -0.088 1.00 0.00 C ATOM 78 O SER A 54 -14.041 7.910 -0.226 1.00 0.00 O ATOM 79 CB SER A 54 -15.738 10.131 -1.060 1.00 0.00 C ATOM 80 OG SER A 54 -16.318 10.400 0.211 1.00 0.00 O ATOM 0 H SER A 54 -14.312 9.641 -3.024 1.00 0.00 H new ATOM 0 HA SER A 54 -13.896 11.137 -0.599 1.00 0.00 H new ATOM 0 HB2 SER A 54 -16.097 10.861 -1.786 1.00 0.00 H new ATOM 0 HB3 SER A 54 -16.062 9.150 -1.407 1.00 0.00 H new ATOM 0 HG SER A 54 -17.295 10.366 0.139 1.00 0.00 H new ATOM 86 N GLY A 55 -12.802 9.451 0.837 1.00 0.00 N ATOM 87 CA GLY A 55 -12.276 8.493 1.791 1.00 0.00 C ATOM 88 C GLY A 55 -11.019 7.808 1.310 1.00 0.00 C ATOM 89 O GLY A 55 -10.573 6.831 1.911 1.00 0.00 O ATOM 0 H GLY A 55 -12.449 10.402 0.945 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -12.068 9.003 2.732 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -13.037 7.740 1.998 1.00 0.00 H new ATOM 93 N LYS A 56 -10.450 8.311 0.225 1.00 0.00 N ATOM 94 CA LYS A 56 -9.224 7.764 -0.315 1.00 0.00 C ATOM 95 C LYS A 56 -8.004 8.341 0.394 1.00 0.00 C ATOM 96 O LYS A 56 -8.116 9.289 1.176 1.00 0.00 O ATOM 97 CB LYS A 56 -9.155 8.015 -1.820 1.00 0.00 C ATOM 98 CG LYS A 56 -9.664 6.832 -2.620 1.00 0.00 C ATOM 99 CD LYS A 56 -11.096 6.485 -2.268 1.00 0.00 C ATOM 100 CE LYS A 56 -11.486 5.122 -2.815 1.00 0.00 C ATOM 101 NZ LYS A 56 -11.274 5.012 -4.282 1.00 0.00 N ATOM 0 H LYS A 56 -10.824 9.102 -0.299 1.00 0.00 H new ATOM 0 HA LYS A 56 -9.222 6.688 -0.143 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -9.743 8.899 -2.067 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -8.125 8.228 -2.105 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -9.596 7.058 -3.684 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -9.026 5.968 -2.436 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -11.218 6.493 -1.185 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.766 7.245 -2.670 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -10.904 4.352 -2.309 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -12.535 4.930 -2.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -12.096 4.548 -4.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -11.158 5.962 -4.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -10.420 4.449 -4.468 1.00 0.00 H new ATOM 115 N VAL A 57 -6.843 7.761 0.127 1.00 0.00 N ATOM 116 CA VAL A 57 -5.624 8.135 0.827 1.00 0.00 C ATOM 117 C VAL A 57 -4.729 8.990 -0.053 1.00 0.00 C ATOM 118 O VAL A 57 -4.359 8.587 -1.156 1.00 0.00 O ATOM 119 CB VAL A 57 -4.830 6.899 1.285 1.00 0.00 C ATOM 120 CG1 VAL A 57 -3.785 7.275 2.323 1.00 0.00 C ATOM 121 CG2 VAL A 57 -5.760 5.821 1.806 1.00 0.00 C ATOM 0 H VAL A 57 -6.720 7.028 -0.571 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.931 8.706 1.703 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.305 6.496 0.419 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.239 6.383 2.629 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.090 7.997 1.894 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.276 7.715 3.191 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -5.175 4.958 2.123 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -6.326 6.207 2.654 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -6.449 5.522 1.016 1.00 0.00 H new ATOM 131 N LEU A 58 -4.378 10.161 0.446 1.00 0.00 N ATOM 132 CA LEU A 58 -3.519 11.081 -0.278 1.00 0.00 C ATOM 133 C LEU A 58 -2.055 10.846 0.079 1.00 0.00 C ATOM 134 O LEU A 58 -1.700 10.746 1.254 1.00 0.00 O ATOM 135 CB LEU A 58 -3.904 12.524 0.055 1.00 0.00 C ATOM 136 CG LEU A 58 -3.116 13.606 -0.681 1.00 0.00 C ATOM 137 CD1 LEU A 58 -3.759 13.883 -2.024 1.00 0.00 C ATOM 138 CD2 LEU A 58 -3.039 14.875 0.151 1.00 0.00 C ATOM 0 H LEU A 58 -4.678 10.500 1.360 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.650 10.906 -1.346 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.963 12.658 -0.165 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.780 12.676 1.127 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.098 13.252 -0.844 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.194 14.655 -2.546 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.763 12.971 -2.621 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.784 14.222 -1.874 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.474 15.632 -0.392 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.046 15.244 0.346 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.542 14.660 1.097 1.00 0.00 H new ATOM 150 N TYR A 59 -1.218 10.746 -0.939 1.00 0.00 N ATOM 151 CA TYR A 59 0.216 10.635 -0.756 1.00 0.00 C ATOM 152 C TYR A 59 0.912 11.557 -1.760 1.00 0.00 C ATOM 153 O TYR A 59 0.686 11.456 -2.968 1.00 0.00 O ATOM 154 CB TYR A 59 0.678 9.172 -0.926 1.00 0.00 C ATOM 155 CG TYR A 59 0.915 8.759 -2.364 1.00 0.00 C ATOM 156 CD1 TYR A 59 -0.142 8.579 -3.248 1.00 0.00 C ATOM 157 CD2 TYR A 59 2.206 8.585 -2.846 1.00 0.00 C ATOM 158 CE1 TYR A 59 0.083 8.240 -4.569 1.00 0.00 C ATOM 159 CE2 TYR A 59 2.437 8.240 -4.162 1.00 0.00 C ATOM 160 CZ TYR A 59 1.374 8.069 -5.020 1.00 0.00 C ATOM 161 OH TYR A 59 1.602 7.730 -6.335 1.00 0.00 O ATOM 0 H TYR A 59 -1.515 10.740 -1.915 1.00 0.00 H new ATOM 0 HA TYR A 59 0.483 10.940 0.256 1.00 0.00 H new ATOM 0 HB2 TYR A 59 1.599 9.026 -0.361 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -0.072 8.513 -0.489 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -1.156 8.706 -2.897 1.00 0.00 H new ATOM 0 HD2 TYR A 59 3.044 8.722 -2.179 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.749 8.110 -5.245 1.00 0.00 H new ATOM 0 HE2 TYR A 59 3.448 8.105 -4.518 1.00 0.00 H new ATOM 0 HH TYR A 59 2.566 7.649 -6.489 1.00 0.00 H new ATOM 171 N GLU A 60 1.684 12.510 -1.249 1.00 0.00 N ATOM 172 CA GLU A 60 2.476 13.417 -2.088 1.00 0.00 C ATOM 173 C GLU A 60 1.614 14.196 -3.091 1.00 0.00 C ATOM 174 O GLU A 60 2.123 14.743 -4.071 1.00 0.00 O ATOM 175 CB GLU A 60 3.557 12.638 -2.826 1.00 0.00 C ATOM 176 CG GLU A 60 4.487 11.897 -1.892 1.00 0.00 C ATOM 177 CD GLU A 60 5.517 11.072 -2.635 1.00 0.00 C ATOM 178 OE1 GLU A 60 6.510 11.656 -3.121 1.00 0.00 O ATOM 179 OE2 GLU A 60 5.337 9.842 -2.752 1.00 0.00 O ATOM 0 H GLU A 60 1.782 12.679 -0.248 1.00 0.00 H new ATOM 0 HA GLU A 60 2.936 14.148 -1.423 1.00 0.00 H new ATOM 0 HB2 GLU A 60 3.086 11.925 -3.503 1.00 0.00 H new ATOM 0 HB3 GLU A 60 4.138 13.326 -3.440 1.00 0.00 H new ATOM 0 HG2 GLU A 60 4.996 12.613 -1.247 1.00 0.00 H new ATOM 0 HG3 GLU A 60 3.902 11.244 -1.244 1.00 0.00 H new ATOM 186 N GLY A 61 0.315 14.233 -2.847 1.00 0.00 N ATOM 187 CA GLY A 61 -0.581 14.986 -3.708 1.00 0.00 C ATOM 188 C GLY A 61 -1.484 14.099 -4.551 1.00 0.00 C ATOM 189 O GLY A 61 -2.510 14.558 -5.052 1.00 0.00 O ATOM 0 H GLY A 61 -0.139 13.756 -2.068 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -1.197 15.643 -3.095 1.00 0.00 H new ATOM 0 HA3 GLY A 61 0.008 15.624 -4.366 1.00 0.00 H new ATOM 193 N LYS A 62 -1.111 12.835 -4.712 1.00 0.00 N ATOM 194 CA LYS A 62 -1.933 11.888 -5.460 1.00 0.00 C ATOM 195 C LYS A 62 -2.826 11.132 -4.496 1.00 0.00 C ATOM 196 O LYS A 62 -2.484 10.983 -3.329 1.00 0.00 O ATOM 197 CB LYS A 62 -1.058 10.892 -6.219 1.00 0.00 C ATOM 198 CG LYS A 62 -1.772 10.203 -7.369 1.00 0.00 C ATOM 199 CD LYS A 62 -0.888 9.162 -8.034 1.00 0.00 C ATOM 200 CE LYS A 62 0.410 9.770 -8.540 1.00 0.00 C ATOM 201 NZ LYS A 62 1.309 8.736 -9.110 1.00 0.00 N ATOM 0 H LYS A 62 -0.248 12.442 -4.337 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.536 12.442 -6.179 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.183 11.413 -6.607 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.696 10.136 -5.523 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.681 9.727 -7.001 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.077 10.946 -8.106 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.665 8.366 -7.323 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.425 8.706 -8.866 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.190 10.521 -9.299 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.916 10.283 -7.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.113 9.197 -9.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.660 8.122 -8.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.785 8.163 -9.802 1.00 0.00 H new ATOM 215 N GLU A 63 -3.960 10.660 -4.967 1.00 0.00 N ATOM 216 CA GLU A 63 -4.858 9.902 -4.113 1.00 0.00 C ATOM 217 C GLU A 63 -5.006 8.470 -4.600 1.00 0.00 C ATOM 218 O GLU A 63 -5.124 8.214 -5.801 1.00 0.00 O ATOM 219 CB GLU A 63 -6.223 10.575 -4.024 1.00 0.00 C ATOM 220 CG GLU A 63 -6.189 11.874 -3.241 1.00 0.00 C ATOM 221 CD GLU A 63 -7.537 12.538 -3.140 1.00 0.00 C ATOM 222 OE1 GLU A 63 -7.967 13.167 -4.130 1.00 0.00 O ATOM 223 OE2 GLU A 63 -8.180 12.439 -2.074 1.00 0.00 O ATOM 0 H GLU A 63 -4.283 10.784 -5.927 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.419 9.877 -3.116 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -6.592 10.773 -5.031 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.930 9.891 -3.554 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -5.812 11.677 -2.238 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -5.488 12.560 -3.716 1.00 0.00 H new ATOM 230 N PHE A 64 -4.986 7.547 -3.657 1.00 0.00 N ATOM 231 CA PHE A 64 -5.131 6.137 -3.952 1.00 0.00 C ATOM 232 C PHE A 64 -6.178 5.513 -3.048 1.00 0.00 C ATOM 233 O PHE A 64 -6.630 6.156 -2.102 1.00 0.00 O ATOM 234 CB PHE A 64 -3.794 5.422 -3.778 1.00 0.00 C ATOM 235 CG PHE A 64 -3.166 5.012 -5.080 1.00 0.00 C ATOM 236 CD1 PHE A 64 -3.663 3.933 -5.791 1.00 0.00 C ATOM 237 CD2 PHE A 64 -2.085 5.710 -5.596 1.00 0.00 C ATOM 238 CE1 PHE A 64 -3.092 3.553 -6.990 1.00 0.00 C ATOM 239 CE2 PHE A 64 -1.508 5.335 -6.795 1.00 0.00 C ATOM 240 CZ PHE A 64 -2.015 4.256 -7.495 1.00 0.00 C ATOM 0 H PHE A 64 -4.869 7.755 -2.665 1.00 0.00 H new ATOM 0 HA PHE A 64 -5.455 6.030 -4.987 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -3.107 6.076 -3.241 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -3.941 4.537 -3.159 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -4.507 3.382 -5.404 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -1.689 6.557 -5.055 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -3.487 2.707 -7.532 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.663 5.884 -7.184 1.00 0.00 H new ATOM 0 HZ PHE A 64 -1.570 3.963 -8.435 1.00 0.00 H new ATOM 250 N ASP A 65 -6.549 4.269 -3.327 1.00 0.00 N ATOM 251 CA ASP A 65 -7.588 3.591 -2.552 1.00 0.00 C ATOM 252 C ASP A 65 -7.176 3.503 -1.098 1.00 0.00 C ATOM 253 O ASP A 65 -7.809 4.085 -0.219 1.00 0.00 O ATOM 254 CB ASP A 65 -7.857 2.181 -3.094 1.00 0.00 C ATOM 255 CG ASP A 65 -8.732 2.172 -4.328 1.00 0.00 C ATOM 256 OD1 ASP A 65 -9.302 3.230 -4.670 1.00 0.00 O ATOM 257 OD2 ASP A 65 -8.869 1.096 -4.950 1.00 0.00 O ATOM 0 H ASP A 65 -6.150 3.709 -4.080 1.00 0.00 H new ATOM 0 HA ASP A 65 -8.505 4.174 -2.640 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -6.906 1.701 -3.327 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -8.332 1.584 -2.315 1.00 0.00 H new ATOM 262 N TYR A 66 -6.100 2.777 -0.863 1.00 0.00 N ATOM 263 CA TYR A 66 -5.534 2.648 0.464 1.00 0.00 C ATOM 264 C TYR A 66 -4.024 2.625 0.371 1.00 0.00 C ATOM 265 O TYR A 66 -3.455 1.718 -0.225 1.00 0.00 O ATOM 266 CB TYR A 66 -6.021 1.361 1.138 1.00 0.00 C ATOM 267 CG TYR A 66 -7.465 1.405 1.577 1.00 0.00 C ATOM 268 CD1 TYR A 66 -7.834 2.068 2.739 1.00 0.00 C ATOM 269 CD2 TYR A 66 -8.459 0.779 0.834 1.00 0.00 C ATOM 270 CE1 TYR A 66 -9.151 2.109 3.152 1.00 0.00 C ATOM 271 CE2 TYR A 66 -9.779 0.816 1.239 1.00 0.00 C ATOM 272 CZ TYR A 66 -10.119 1.482 2.399 1.00 0.00 C ATOM 273 OH TYR A 66 -11.432 1.512 2.809 1.00 0.00 O ATOM 0 H TYR A 66 -5.596 2.262 -1.585 1.00 0.00 H new ATOM 0 HA TYR A 66 -5.856 3.500 1.062 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -5.887 0.529 0.447 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -5.394 1.158 2.006 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -7.077 2.561 3.331 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -8.195 0.256 -0.073 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -9.420 2.629 4.059 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -10.541 0.326 0.651 1.00 0.00 H new ATOM 0 HH TYR A 66 -11.987 1.024 2.166 1.00 0.00 H new ATOM 283 N VAL A 67 -3.364 3.620 0.936 1.00 0.00 N ATOM 284 CA VAL A 67 -1.922 3.582 0.995 1.00 0.00 C ATOM 285 C VAL A 67 -1.490 3.237 2.409 1.00 0.00 C ATOM 286 O VAL A 67 -2.082 3.699 3.391 1.00 0.00 O ATOM 287 CB VAL A 67 -1.234 4.888 0.506 1.00 0.00 C ATOM 288 CG1 VAL A 67 -2.091 5.601 -0.528 1.00 0.00 C ATOM 289 CG2 VAL A 67 -0.864 5.819 1.649 1.00 0.00 C ATOM 0 H VAL A 67 -3.796 4.446 1.351 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.594 2.810 0.299 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.298 4.592 0.032 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.587 6.511 -0.853 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.247 4.946 -1.385 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.054 5.858 -0.088 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.387 6.714 1.249 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -1.764 6.100 2.195 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.175 5.311 2.323 1.00 0.00 H new ATOM 299 N PHE A 68 -0.490 2.393 2.499 1.00 0.00 N ATOM 300 CA PHE A 68 0.011 1.924 3.773 1.00 0.00 C ATOM 301 C PHE A 68 1.121 2.840 4.248 1.00 0.00 C ATOM 302 O PHE A 68 1.820 3.448 3.442 1.00 0.00 O ATOM 303 CB PHE A 68 0.527 0.491 3.621 1.00 0.00 C ATOM 304 CG PHE A 68 1.101 -0.109 4.875 1.00 0.00 C ATOM 305 CD1 PHE A 68 0.390 -0.101 6.064 1.00 0.00 C ATOM 306 CD2 PHE A 68 2.364 -0.679 4.856 1.00 0.00 C ATOM 307 CE1 PHE A 68 0.928 -0.653 7.212 1.00 0.00 C ATOM 308 CE2 PHE A 68 2.908 -1.232 6.001 1.00 0.00 C ATOM 309 CZ PHE A 68 2.189 -1.219 7.180 1.00 0.00 C ATOM 0 H PHE A 68 0.001 2.010 1.691 1.00 0.00 H new ATOM 0 HA PHE A 68 -0.791 1.933 4.511 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.291 -0.140 3.275 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.292 0.476 2.845 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.595 0.341 6.095 1.00 0.00 H new ATOM 0 HD2 PHE A 68 2.930 -0.692 3.936 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.364 -0.642 8.133 1.00 0.00 H new ATOM 0 HE2 PHE A 68 3.893 -1.673 5.973 1.00 0.00 H new ATOM 0 HZ PHE A 68 2.611 -1.650 8.076 1.00 0.00 H new ATOM 319 N SER A 69 1.271 2.953 5.545 1.00 0.00 N ATOM 320 CA SER A 69 2.344 3.749 6.095 1.00 0.00 C ATOM 321 C SER A 69 3.469 2.828 6.518 1.00 0.00 C ATOM 322 O SER A 69 3.300 1.968 7.384 1.00 0.00 O ATOM 323 CB SER A 69 1.850 4.600 7.269 1.00 0.00 C ATOM 324 OG SER A 69 2.907 5.350 7.851 1.00 0.00 O ATOM 0 H SER A 69 0.668 2.507 6.237 1.00 0.00 H new ATOM 0 HA SER A 69 2.712 4.439 5.335 1.00 0.00 H new ATOM 0 HB2 SER A 69 1.069 5.278 6.925 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.402 3.954 8.024 1.00 0.00 H new ATOM 0 HG SER A 69 3.445 4.766 8.426 1.00 0.00 H new ATOM 330 N ILE A 70 4.607 3.008 5.891 1.00 0.00 N ATOM 331 CA ILE A 70 5.758 2.182 6.143 1.00 0.00 C ATOM 332 C ILE A 70 6.820 3.006 6.845 1.00 0.00 C ATOM 333 O ILE A 70 7.446 3.873 6.245 1.00 0.00 O ATOM 334 CB ILE A 70 6.311 1.658 4.799 1.00 0.00 C ATOM 335 CG1 ILE A 70 5.216 0.902 4.043 1.00 0.00 C ATOM 336 CG2 ILE A 70 7.545 0.799 5.005 1.00 0.00 C ATOM 337 CD1 ILE A 70 5.637 0.406 2.678 1.00 0.00 C ATOM 0 H ILE A 70 4.759 3.734 5.191 1.00 0.00 H new ATOM 0 HA ILE A 70 5.478 1.338 6.774 1.00 0.00 H new ATOM 0 HB ILE A 70 6.619 2.511 4.194 1.00 0.00 H new ATOM 0 HG12 ILE A 70 4.896 0.051 4.644 1.00 0.00 H new ATOM 0 HG13 ILE A 70 4.351 1.555 3.929 1.00 0.00 H new ATOM 0 HG21 ILE A 70 7.908 0.447 4.040 1.00 0.00 H new ATOM 0 HG22 ILE A 70 8.322 1.389 5.492 1.00 0.00 H new ATOM 0 HG23 ILE A 70 7.292 -0.056 5.632 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.805 -0.119 2.209 1.00 0.00 H new ATOM 0 HD12 ILE A 70 5.928 1.253 2.057 1.00 0.00 H new ATOM 0 HD13 ILE A 70 6.482 -0.275 2.783 1.00 0.00 H new ATOM 349 N ASP A 71 7.029 2.730 8.110 1.00 0.00 N ATOM 350 CA ASP A 71 8.046 3.429 8.861 1.00 0.00 C ATOM 351 C ASP A 71 9.234 2.515 9.093 1.00 0.00 C ATOM 352 O ASP A 71 9.101 1.466 9.724 1.00 0.00 O ATOM 353 CB ASP A 71 7.473 3.952 10.181 1.00 0.00 C ATOM 354 CG ASP A 71 6.324 4.928 9.959 1.00 0.00 C ATOM 355 OD1 ASP A 71 5.163 4.475 9.856 1.00 0.00 O ATOM 356 OD2 ASP A 71 6.576 6.151 9.885 1.00 0.00 O ATOM 0 H ASP A 71 6.511 2.029 8.640 1.00 0.00 H new ATOM 0 HA ASP A 71 8.387 4.291 8.288 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.124 3.113 10.782 1.00 0.00 H new ATOM 0 HB3 ASP A 71 8.262 4.445 10.749 1.00 0.00 H new ATOM 361 N VAL A 72 10.385 2.907 8.572 1.00 0.00 N ATOM 362 CA VAL A 72 11.600 2.118 8.732 1.00 0.00 C ATOM 363 C VAL A 72 12.517 2.768 9.757 1.00 0.00 C ATOM 364 O VAL A 72 13.126 2.093 10.589 1.00 0.00 O ATOM 365 CB VAL A 72 12.351 1.953 7.392 1.00 0.00 C ATOM 366 CG1 VAL A 72 13.602 1.102 7.571 1.00 0.00 C ATOM 367 CG2 VAL A 72 11.437 1.342 6.339 1.00 0.00 C ATOM 0 H VAL A 72 10.506 3.766 8.035 1.00 0.00 H new ATOM 0 HA VAL A 72 11.307 1.128 9.081 1.00 0.00 H new ATOM 0 HB VAL A 72 12.659 2.942 7.052 1.00 0.00 H new ATOM 0 HG11 VAL A 72 14.113 1.001 6.614 1.00 0.00 H new ATOM 0 HG12 VAL A 72 14.268 1.581 8.289 1.00 0.00 H new ATOM 0 HG13 VAL A 72 13.321 0.115 7.939 1.00 0.00 H new ATOM 0 HG21 VAL A 72 11.983 1.233 5.402 1.00 0.00 H new ATOM 0 HG22 VAL A 72 11.097 0.363 6.676 1.00 0.00 H new ATOM 0 HG23 VAL A 72 10.576 1.992 6.184 1.00 0.00 H new ATOM 377 N ASN A 73 12.596 4.087 9.701 1.00 0.00 N ATOM 378 CA ASN A 73 13.434 4.843 10.614 1.00 0.00 C ATOM 379 C ASN A 73 12.575 5.561 11.637 1.00 0.00 C ATOM 380 O ASN A 73 11.475 6.020 11.323 1.00 0.00 O ATOM 381 CB ASN A 73 14.285 5.860 9.850 1.00 0.00 C ATOM 382 CG ASN A 73 15.433 5.221 9.091 1.00 0.00 C ATOM 383 OD1 ASN A 73 16.532 5.066 9.626 1.00 0.00 O ATOM 384 ND2 ASN A 73 15.198 4.860 7.840 1.00 0.00 N ATOM 0 H ASN A 73 12.086 4.659 9.028 1.00 0.00 H new ATOM 0 HA ASN A 73 14.097 4.146 11.126 1.00 0.00 H new ATOM 0 HB2 ASN A 73 13.651 6.403 9.149 1.00 0.00 H new ATOM 0 HB3 ASN A 73 14.684 6.592 10.552 1.00 0.00 H new ATOM 0 HD21 ASN A 73 15.941 4.437 7.283 1.00 0.00 H new ATOM 0 HD22 ASN A 73 14.274 5.005 7.432 1.00 0.00 H new ATOM 391 N GLU A 74 13.076 5.641 12.861 1.00 0.00 N ATOM 392 CA GLU A 74 12.370 6.314 13.941 1.00 0.00 C ATOM 393 C GLU A 74 12.187 7.791 13.609 1.00 0.00 C ATOM 394 O GLU A 74 13.159 8.501 13.343 1.00 0.00 O ATOM 395 CB GLU A 74 13.153 6.148 15.243 1.00 0.00 C ATOM 396 CG GLU A 74 13.344 4.691 15.636 1.00 0.00 C ATOM 397 CD GLU A 74 14.451 4.493 16.649 1.00 0.00 C ATOM 398 OE1 GLU A 74 15.617 4.322 16.229 1.00 0.00 O ATOM 399 OE2 GLU A 74 14.159 4.489 17.865 1.00 0.00 O ATOM 0 H GLU A 74 13.976 5.245 13.132 1.00 0.00 H new ATOM 0 HA GLU A 74 11.383 5.867 14.062 1.00 0.00 H new ATOM 0 HB2 GLU A 74 14.129 6.622 15.137 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.630 6.670 16.045 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.410 4.305 16.046 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.566 4.106 14.744 1.00 0.00 H new ATOM 406 N GLY A 75 10.943 8.246 13.621 1.00 0.00 N ATOM 407 CA GLY A 75 10.648 9.604 13.219 1.00 0.00 C ATOM 408 C GLY A 75 10.491 9.718 11.717 1.00 0.00 C ATOM 409 O GLY A 75 9.372 9.683 11.197 1.00 0.00 O ATOM 0 H GLY A 75 10.131 7.697 13.903 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.733 9.938 13.708 1.00 0.00 H new ATOM 0 HA3 GLY A 75 11.448 10.265 13.553 1.00 0.00 H new ATOM 413 N GLY A 76 11.613 9.824 11.019 1.00 0.00 N ATOM 414 CA GLY A 76 11.587 9.936 9.574 1.00 0.00 C ATOM 415 C GLY A 76 12.802 9.295 8.930 1.00 0.00 C ATOM 416 O GLY A 76 13.778 8.991 9.617 1.00 0.00 O ATOM 0 H GLY A 76 12.546 9.834 11.430 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.683 9.464 9.190 1.00 0.00 H new ATOM 0 HA3 GLY A 76 11.541 10.988 9.293 1.00 0.00 H new ATOM 420 N PRO A 77 12.780 9.077 7.607 1.00 0.00 N ATOM 421 CA PRO A 77 11.644 9.428 6.760 1.00 0.00 C ATOM 422 C PRO A 77 10.574 8.339 6.739 1.00 0.00 C ATOM 423 O PRO A 77 10.868 7.149 6.905 1.00 0.00 O ATOM 424 CB PRO A 77 12.292 9.562 5.387 1.00 0.00 C ATOM 425 CG PRO A 77 13.370 8.536 5.397 1.00 0.00 C ATOM 426 CD PRO A 77 13.873 8.469 6.821 1.00 0.00 C ATOM 0 HA PRO A 77 11.125 10.322 7.105 1.00 0.00 H new ATOM 0 HB2 PRO A 77 11.574 9.379 4.587 1.00 0.00 H new ATOM 0 HB3 PRO A 77 12.695 10.563 5.231 1.00 0.00 H new ATOM 0 HG2 PRO A 77 12.989 7.568 5.072 1.00 0.00 H new ATOM 0 HG3 PRO A 77 14.173 8.808 4.712 1.00 0.00 H new ATOM 0 HD2 PRO A 77 14.065 7.441 7.130 1.00 0.00 H new ATOM 0 HD3 PRO A 77 14.807 9.018 6.942 1.00 0.00 H new ATOM 434 N SER A 78 9.337 8.756 6.555 1.00 0.00 N ATOM 435 CA SER A 78 8.230 7.832 6.446 1.00 0.00 C ATOM 436 C SER A 78 8.017 7.447 4.983 1.00 0.00 C ATOM 437 O SER A 78 8.093 8.292 4.085 1.00 0.00 O ATOM 438 CB SER A 78 6.962 8.463 7.031 1.00 0.00 C ATOM 439 OG SER A 78 5.913 7.515 7.144 1.00 0.00 O ATOM 0 H SER A 78 9.074 9.738 6.478 1.00 0.00 H new ATOM 0 HA SER A 78 8.458 6.929 7.012 1.00 0.00 H new ATOM 0 HB2 SER A 78 7.183 8.882 8.013 1.00 0.00 H new ATOM 0 HB3 SER A 78 6.640 9.289 6.397 1.00 0.00 H new ATOM 0 HG SER A 78 6.023 7.002 7.972 1.00 0.00 H new ATOM 445 N TYR A 79 7.777 6.170 4.754 1.00 0.00 N ATOM 446 CA TYR A 79 7.508 5.648 3.425 1.00 0.00 C ATOM 447 C TYR A 79 6.023 5.348 3.326 1.00 0.00 C ATOM 448 O TYR A 79 5.409 5.022 4.328 1.00 0.00 O ATOM 449 CB TYR A 79 8.301 4.359 3.195 1.00 0.00 C ATOM 450 CG TYR A 79 9.801 4.518 3.332 1.00 0.00 C ATOM 451 CD1 TYR A 79 10.416 4.452 4.577 1.00 0.00 C ATOM 452 CD2 TYR A 79 10.600 4.729 2.216 1.00 0.00 C ATOM 453 CE1 TYR A 79 11.785 4.591 4.706 1.00 0.00 C ATOM 454 CE2 TYR A 79 11.970 4.868 2.336 1.00 0.00 C ATOM 455 CZ TYR A 79 12.558 4.800 3.585 1.00 0.00 C ATOM 456 OH TYR A 79 13.924 4.934 3.712 1.00 0.00 O ATOM 0 H TYR A 79 7.763 5.461 5.487 1.00 0.00 H new ATOM 0 HA TYR A 79 7.804 6.380 2.673 1.00 0.00 H new ATOM 0 HB2 TYR A 79 7.961 3.605 3.905 1.00 0.00 H new ATOM 0 HB3 TYR A 79 8.077 3.981 2.197 1.00 0.00 H new ATOM 0 HD1 TYR A 79 9.814 4.289 5.459 1.00 0.00 H new ATOM 0 HD2 TYR A 79 10.144 4.785 1.239 1.00 0.00 H new ATOM 0 HE1 TYR A 79 12.247 4.536 5.681 1.00 0.00 H new ATOM 0 HE2 TYR A 79 12.578 5.029 1.458 1.00 0.00 H new ATOM 0 HH TYR A 79 14.322 5.075 2.828 1.00 0.00 H new ATOM 466 N LYS A 80 5.437 5.451 2.148 1.00 0.00 N ATOM 467 CA LYS A 80 4.008 5.178 2.000 1.00 0.00 C ATOM 468 C LYS A 80 3.761 4.305 0.772 1.00 0.00 C ATOM 469 O LYS A 80 4.339 4.535 -0.287 1.00 0.00 O ATOM 470 CB LYS A 80 3.186 6.476 1.902 1.00 0.00 C ATOM 471 CG LYS A 80 3.453 7.478 3.025 1.00 0.00 C ATOM 472 CD LYS A 80 3.196 6.896 4.416 1.00 0.00 C ATOM 473 CE LYS A 80 1.787 7.162 4.924 1.00 0.00 C ATOM 474 NZ LYS A 80 1.509 8.620 5.048 1.00 0.00 N ATOM 0 H LYS A 80 5.915 5.717 1.287 1.00 0.00 H new ATOM 0 HA LYS A 80 3.680 4.645 2.892 1.00 0.00 H new ATOM 0 HB2 LYS A 80 3.398 6.955 0.946 1.00 0.00 H new ATOM 0 HB3 LYS A 80 2.126 6.222 1.903 1.00 0.00 H new ATOM 0 HG2 LYS A 80 4.487 7.817 2.964 1.00 0.00 H new ATOM 0 HG3 LYS A 80 2.821 8.354 2.881 1.00 0.00 H new ATOM 0 HD2 LYS A 80 3.369 5.820 4.391 1.00 0.00 H new ATOM 0 HD3 LYS A 80 3.915 7.318 5.118 1.00 0.00 H new ATOM 0 HE2 LYS A 80 1.064 6.711 4.244 1.00 0.00 H new ATOM 0 HE3 LYS A 80 1.654 6.683 5.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 0.764 8.772 5.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 2.375 9.115 5.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 1.194 8.993 4.129 1.00 0.00 H new ATOM 488 N LEU A 81 2.886 3.319 0.925 1.00 0.00 N ATOM 489 CA LEU A 81 2.642 2.315 -0.111 1.00 0.00 C ATOM 490 C LEU A 81 1.230 2.470 -0.682 1.00 0.00 C ATOM 491 O LEU A 81 0.276 1.922 -0.134 1.00 0.00 O ATOM 492 CB LEU A 81 2.783 0.911 0.495 1.00 0.00 C ATOM 493 CG LEU A 81 3.228 -0.209 -0.447 1.00 0.00 C ATOM 494 CD1 LEU A 81 2.557 -1.499 -0.050 1.00 0.00 C ATOM 495 CD2 LEU A 81 2.923 0.108 -1.900 1.00 0.00 C ATOM 0 H LEU A 81 2.325 3.190 1.767 1.00 0.00 H new ATOM 0 HA LEU A 81 3.369 2.454 -0.911 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.497 0.967 1.317 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.822 0.630 0.926 1.00 0.00 H new ATOM 0 HG LEU A 81 4.310 -0.307 -0.357 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.875 -2.296 -0.722 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.835 -1.754 0.973 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.475 -1.381 -0.113 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.257 -0.716 -2.530 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.849 0.248 -2.024 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.443 1.021 -2.190 1.00 0.00 H new ATOM 507 N PRO A 82 1.074 3.220 -1.778 1.00 0.00 N ATOM 508 CA PRO A 82 -0.228 3.418 -2.427 1.00 0.00 C ATOM 509 C PRO A 82 -0.761 2.144 -3.070 1.00 0.00 C ATOM 510 O PRO A 82 -0.055 1.490 -3.836 1.00 0.00 O ATOM 511 CB PRO A 82 0.064 4.459 -3.507 1.00 0.00 C ATOM 512 CG PRO A 82 1.361 5.066 -3.117 1.00 0.00 C ATOM 513 CD PRO A 82 2.133 3.953 -2.477 1.00 0.00 C ATOM 0 HA PRO A 82 -0.990 3.721 -1.709 1.00 0.00 H new ATOM 0 HB2 PRO A 82 0.125 3.998 -4.493 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -0.725 5.210 -3.554 1.00 0.00 H new ATOM 0 HG2 PRO A 82 1.888 5.464 -3.985 1.00 0.00 H new ATOM 0 HG3 PRO A 82 1.216 5.895 -2.424 1.00 0.00 H new ATOM 0 HD2 PRO A 82 2.643 3.332 -3.214 1.00 0.00 H new ATOM 0 HD3 PRO A 82 2.895 4.325 -1.791 1.00 0.00 H new ATOM 521 N TYR A 83 -2.014 1.814 -2.779 1.00 0.00 N ATOM 522 CA TYR A 83 -2.627 0.603 -3.294 1.00 0.00 C ATOM 523 C TYR A 83 -4.022 0.894 -3.824 1.00 0.00 C ATOM 524 O TYR A 83 -4.825 1.555 -3.163 1.00 0.00 O ATOM 525 CB TYR A 83 -2.691 -0.467 -2.193 1.00 0.00 C ATOM 526 CG TYR A 83 -3.495 -1.699 -2.567 1.00 0.00 C ATOM 527 CD1 TYR A 83 -3.235 -2.395 -3.740 1.00 0.00 C ATOM 528 CD2 TYR A 83 -4.509 -2.169 -1.740 1.00 0.00 C ATOM 529 CE1 TYR A 83 -3.960 -3.521 -4.081 1.00 0.00 C ATOM 530 CE2 TYR A 83 -5.240 -3.296 -2.075 1.00 0.00 C ATOM 531 CZ TYR A 83 -4.963 -3.966 -3.249 1.00 0.00 C ATOM 532 OH TYR A 83 -5.683 -5.090 -3.587 1.00 0.00 O ATOM 0 H TYR A 83 -2.626 2.374 -2.185 1.00 0.00 H new ATOM 0 HA TYR A 83 -2.016 0.229 -4.116 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -1.676 -0.773 -1.940 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -3.123 -0.024 -1.296 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -2.451 -2.050 -4.398 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -4.730 -1.646 -0.821 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -3.741 -4.050 -4.997 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -6.023 -3.649 -1.421 1.00 0.00 H new ATOM 0 HH TYR A 83 -5.400 -5.406 -4.470 1.00 0.00 H new ATOM 542 N ASN A 84 -4.285 0.430 -5.033 1.00 0.00 N ATOM 543 CA ASN A 84 -5.626 0.434 -5.590 1.00 0.00 C ATOM 544 C ASN A 84 -6.175 -0.981 -5.542 1.00 0.00 C ATOM 545 O ASN A 84 -5.541 -1.920 -6.011 1.00 0.00 O ATOM 546 CB ASN A 84 -5.643 0.979 -7.030 1.00 0.00 C ATOM 547 CG ASN A 84 -4.662 0.280 -7.962 1.00 0.00 C ATOM 548 OD1 ASN A 84 -3.583 -0.142 -7.552 1.00 0.00 O ATOM 549 ND2 ASN A 84 -5.025 0.164 -9.232 1.00 0.00 N ATOM 0 H ASN A 84 -3.577 0.041 -5.655 1.00 0.00 H new ATOM 0 HA ASN A 84 -6.255 1.097 -4.996 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -6.650 0.878 -7.435 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -5.413 2.044 -7.008 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -4.401 -0.287 -9.902 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -5.928 0.525 -9.539 1.00 0.00 H new ATOM 556 N THR A 85 -7.363 -1.116 -4.985 1.00 0.00 N ATOM 557 CA THR A 85 -7.914 -2.416 -4.615 1.00 0.00 C ATOM 558 C THR A 85 -8.138 -3.345 -5.809 1.00 0.00 C ATOM 559 O THR A 85 -8.394 -4.540 -5.642 1.00 0.00 O ATOM 560 CB THR A 85 -9.226 -2.228 -3.844 1.00 0.00 C ATOM 561 OG1 THR A 85 -10.115 -1.381 -4.591 1.00 0.00 O ATOM 562 CG2 THR A 85 -8.940 -1.604 -2.492 1.00 0.00 C ATOM 0 H THR A 85 -7.978 -0.330 -4.774 1.00 0.00 H new ATOM 0 HA THR A 85 -7.170 -2.899 -3.982 1.00 0.00 H new ATOM 0 HB THR A 85 -9.697 -3.200 -3.699 1.00 0.00 H new ATOM 0 HG1 THR A 85 -9.762 -0.467 -4.603 1.00 0.00 H new ATOM 0 HG21 THR A 85 -9.875 -1.472 -1.947 1.00 0.00 H new ATOM 0 HG22 THR A 85 -8.277 -2.256 -1.923 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.462 -0.635 -2.633 1.00 0.00 H new ATOM 570 N SER A 86 -8.037 -2.794 -7.003 1.00 0.00 N ATOM 571 CA SER A 86 -8.222 -3.561 -8.225 1.00 0.00 C ATOM 572 C SER A 86 -6.922 -4.258 -8.656 1.00 0.00 C ATOM 573 O SER A 86 -6.934 -5.123 -9.536 1.00 0.00 O ATOM 574 CB SER A 86 -8.725 -2.633 -9.334 1.00 0.00 C ATOM 575 OG SER A 86 -8.958 -3.340 -10.536 1.00 0.00 O ATOM 0 H SER A 86 -7.826 -1.808 -7.156 1.00 0.00 H new ATOM 0 HA SER A 86 -8.961 -4.340 -8.036 1.00 0.00 H new ATOM 0 HB2 SER A 86 -9.646 -2.146 -9.013 1.00 0.00 H new ATOM 0 HB3 SER A 86 -7.993 -1.845 -9.510 1.00 0.00 H new ATOM 0 HG SER A 86 -8.396 -4.143 -10.558 1.00 0.00 H new ATOM 581 N ASP A 87 -5.809 -3.902 -8.022 1.00 0.00 N ATOM 582 CA ASP A 87 -4.500 -4.400 -8.446 1.00 0.00 C ATOM 583 C ASP A 87 -4.015 -5.532 -7.538 1.00 0.00 C ATOM 584 O ASP A 87 -4.529 -5.728 -6.433 1.00 0.00 O ATOM 585 CB ASP A 87 -3.479 -3.254 -8.461 1.00 0.00 C ATOM 586 CG ASP A 87 -2.154 -3.646 -9.092 1.00 0.00 C ATOM 587 OD1 ASP A 87 -2.166 -4.402 -10.091 1.00 0.00 O ATOM 588 OD2 ASP A 87 -1.096 -3.198 -8.602 1.00 0.00 O ATOM 0 H ASP A 87 -5.784 -3.275 -7.218 1.00 0.00 H new ATOM 0 HA ASP A 87 -4.601 -4.801 -9.455 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -3.898 -2.409 -9.006 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -3.303 -2.918 -7.439 1.00 0.00 H new ATOM 593 N ASP A 88 -3.038 -6.285 -8.029 1.00 0.00 N ATOM 594 CA ASP A 88 -2.436 -7.378 -7.276 1.00 0.00 C ATOM 595 C ASP A 88 -1.366 -6.832 -6.348 1.00 0.00 C ATOM 596 O ASP A 88 -0.602 -5.947 -6.717 1.00 0.00 O ATOM 597 CB ASP A 88 -1.810 -8.401 -8.224 1.00 0.00 C ATOM 598 CG ASP A 88 -2.838 -9.229 -8.961 1.00 0.00 C ATOM 599 OD1 ASP A 88 -3.343 -8.778 -10.011 1.00 0.00 O ATOM 600 OD2 ASP A 88 -3.143 -10.350 -8.497 1.00 0.00 O ATOM 0 H ASP A 88 -2.641 -6.155 -8.960 1.00 0.00 H new ATOM 0 HA ASP A 88 -3.215 -7.868 -6.692 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -1.183 -7.881 -8.948 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -1.158 -9.064 -7.655 1.00 0.00 H new ATOM 605 N PRO A 89 -1.289 -7.383 -5.126 1.00 0.00 N ATOM 606 CA PRO A 89 -0.437 -6.859 -4.059 1.00 0.00 C ATOM 607 C PRO A 89 1.033 -6.952 -4.376 1.00 0.00 C ATOM 608 O PRO A 89 1.787 -6.035 -4.076 1.00 0.00 O ATOM 609 CB PRO A 89 -0.766 -7.744 -2.856 1.00 0.00 C ATOM 610 CG PRO A 89 -2.064 -8.379 -3.197 1.00 0.00 C ATOM 611 CD PRO A 89 -2.022 -8.573 -4.683 1.00 0.00 C ATOM 0 HA PRO A 89 -0.626 -5.798 -3.896 1.00 0.00 H new ATOM 0 HB2 PRO A 89 0.009 -8.492 -2.691 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -0.841 -7.156 -1.941 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -2.187 -9.330 -2.678 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -2.902 -7.746 -2.905 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -1.509 -9.494 -4.960 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -3.021 -8.622 -5.116 1.00 0.00 H new ATOM 619 N TRP A 90 1.447 -8.055 -4.973 1.00 0.00 N ATOM 620 CA TRP A 90 2.846 -8.208 -5.327 1.00 0.00 C ATOM 621 C TRP A 90 3.198 -7.240 -6.444 1.00 0.00 C ATOM 622 O TRP A 90 4.325 -6.781 -6.536 1.00 0.00 O ATOM 623 CB TRP A 90 3.192 -9.648 -5.723 1.00 0.00 C ATOM 624 CG TRP A 90 3.320 -10.583 -4.557 1.00 0.00 C ATOM 625 CD1 TRP A 90 4.383 -10.680 -3.702 1.00 0.00 C ATOM 626 CD2 TRP A 90 2.366 -11.559 -4.121 1.00 0.00 C ATOM 627 NE1 TRP A 90 4.148 -11.655 -2.765 1.00 0.00 N ATOM 628 CE2 TRP A 90 2.919 -12.209 -2.999 1.00 0.00 C ATOM 629 CE3 TRP A 90 1.099 -11.950 -4.566 1.00 0.00 C ATOM 630 CZ2 TRP A 90 2.248 -13.222 -2.318 1.00 0.00 C ATOM 631 CZ3 TRP A 90 0.436 -12.958 -3.890 1.00 0.00 C ATOM 632 CH2 TRP A 90 1.013 -13.584 -2.778 1.00 0.00 C ATOM 0 H TRP A 90 0.848 -8.843 -5.219 1.00 0.00 H new ATOM 0 HA TRP A 90 3.442 -7.976 -4.445 1.00 0.00 H new ATOM 0 HB2 TRP A 90 2.422 -10.025 -6.396 1.00 0.00 H new ATOM 0 HB3 TRP A 90 4.129 -9.647 -6.280 1.00 0.00 H new ATOM 0 HD1 TRP A 90 5.277 -10.077 -3.756 1.00 0.00 H new ATOM 0 HE1 TRP A 90 4.786 -11.923 -2.016 1.00 0.00 H new ATOM 0 HE3 TRP A 90 0.646 -11.473 -5.423 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 2.688 -13.704 -1.457 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -0.543 -13.268 -4.225 1.00 0.00 H new ATOM 0 HH2 TRP A 90 0.470 -14.370 -2.273 1.00 0.00 H new ATOM 643 N LEU A 91 2.221 -6.919 -7.282 1.00 0.00 N ATOM 644 CA LEU A 91 2.424 -5.933 -8.333 1.00 0.00 C ATOM 645 C LEU A 91 2.492 -4.521 -7.746 1.00 0.00 C ATOM 646 O LEU A 91 3.401 -3.755 -8.060 1.00 0.00 O ATOM 647 CB LEU A 91 1.300 -6.021 -9.366 1.00 0.00 C ATOM 648 CG LEU A 91 1.142 -7.385 -10.040 1.00 0.00 C ATOM 649 CD1 LEU A 91 0.012 -7.349 -11.060 1.00 0.00 C ATOM 650 CD2 LEU A 91 2.444 -7.801 -10.703 1.00 0.00 C ATOM 0 H LEU A 91 1.286 -7.325 -7.254 1.00 0.00 H new ATOM 0 HA LEU A 91 3.373 -6.147 -8.825 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.360 -5.763 -8.879 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.477 -5.271 -10.137 1.00 0.00 H new ATOM 0 HG LEU A 91 0.892 -8.121 -9.276 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -0.086 -8.328 -11.529 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.922 -7.092 -10.560 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.233 -6.602 -11.822 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.316 -8.774 -11.178 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.721 -7.063 -11.456 1.00 0.00 H new ATOM 0 HD23 LEU A 91 3.231 -7.865 -9.951 1.00 0.00 H new ATOM 662 N THR A 92 1.548 -4.206 -6.864 1.00 0.00 N ATOM 663 CA THR A 92 1.509 -2.910 -6.190 1.00 0.00 C ATOM 664 C THR A 92 2.771 -2.694 -5.367 1.00 0.00 C ATOM 665 O THR A 92 3.426 -1.651 -5.456 1.00 0.00 O ATOM 666 CB THR A 92 0.287 -2.825 -5.251 1.00 0.00 C ATOM 667 OG1 THR A 92 -0.932 -3.014 -5.982 1.00 0.00 O ATOM 668 CG2 THR A 92 0.246 -1.492 -4.515 1.00 0.00 C ATOM 0 H THR A 92 0.792 -4.837 -6.597 1.00 0.00 H new ATOM 0 HA THR A 92 1.437 -2.140 -6.958 1.00 0.00 H new ATOM 0 HB THR A 92 0.386 -3.623 -4.515 1.00 0.00 H new ATOM 0 HG1 THR A 92 -0.769 -2.860 -6.936 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.626 -1.464 -3.862 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.151 -1.378 -3.918 1.00 0.00 H new ATOM 0 HG23 THR A 92 0.184 -0.679 -5.238 1.00 0.00 H new ATOM 676 N ALA A 93 3.114 -3.699 -4.575 1.00 0.00 N ATOM 677 CA ALA A 93 4.291 -3.655 -3.741 1.00 0.00 C ATOM 678 C ALA A 93 5.548 -3.546 -4.586 1.00 0.00 C ATOM 679 O ALA A 93 6.474 -2.818 -4.240 1.00 0.00 O ATOM 680 CB ALA A 93 4.338 -4.894 -2.873 1.00 0.00 C ATOM 0 H ALA A 93 2.580 -4.565 -4.497 1.00 0.00 H new ATOM 0 HA ALA A 93 4.242 -2.772 -3.104 1.00 0.00 H new ATOM 0 HB1 ALA A 93 5.226 -4.863 -2.242 1.00 0.00 H new ATOM 0 HB2 ALA A 93 3.448 -4.932 -2.245 1.00 0.00 H new ATOM 0 HB3 ALA A 93 4.373 -5.781 -3.506 1.00 0.00 H new ATOM 686 N TYR A 94 5.568 -4.270 -5.701 1.00 0.00 N ATOM 687 CA TYR A 94 6.703 -4.244 -6.608 1.00 0.00 C ATOM 688 C TYR A 94 6.844 -2.858 -7.218 1.00 0.00 C ATOM 689 O TYR A 94 7.949 -2.344 -7.369 1.00 0.00 O ATOM 690 CB TYR A 94 6.525 -5.282 -7.716 1.00 0.00 C ATOM 691 CG TYR A 94 7.816 -5.666 -8.396 1.00 0.00 C ATOM 692 CD1 TYR A 94 8.405 -4.826 -9.321 1.00 0.00 C ATOM 693 CD2 TYR A 94 8.441 -6.873 -8.113 1.00 0.00 C ATOM 694 CE1 TYR A 94 9.587 -5.169 -9.949 1.00 0.00 C ATOM 695 CE2 TYR A 94 9.623 -7.226 -8.733 1.00 0.00 C ATOM 696 CZ TYR A 94 10.191 -6.371 -9.652 1.00 0.00 C ATOM 697 OH TYR A 94 11.367 -6.718 -10.272 1.00 0.00 O ATOM 0 H TYR A 94 4.807 -4.882 -5.996 1.00 0.00 H new ATOM 0 HA TYR A 94 7.605 -4.484 -6.046 1.00 0.00 H new ATOM 0 HB2 TYR A 94 6.066 -6.176 -7.294 1.00 0.00 H new ATOM 0 HB3 TYR A 94 5.834 -4.890 -8.462 1.00 0.00 H new ATOM 0 HD1 TYR A 94 7.933 -3.884 -9.558 1.00 0.00 H new ATOM 0 HD2 TYR A 94 7.995 -7.547 -7.396 1.00 0.00 H new ATOM 0 HE1 TYR A 94 10.035 -4.499 -10.668 1.00 0.00 H new ATOM 0 HE2 TYR A 94 10.099 -8.167 -8.499 1.00 0.00 H new ATOM 0 HH TYR A 94 11.660 -7.596 -9.949 1.00 0.00 H new ATOM 707 N ASN A 95 5.708 -2.262 -7.563 1.00 0.00 N ATOM 708 CA ASN A 95 5.681 -0.916 -8.130 1.00 0.00 C ATOM 709 C ASN A 95 6.255 0.104 -7.161 1.00 0.00 C ATOM 710 O ASN A 95 7.071 0.928 -7.548 1.00 0.00 O ATOM 711 CB ASN A 95 4.258 -0.513 -8.526 1.00 0.00 C ATOM 712 CG ASN A 95 3.773 -1.219 -9.781 1.00 0.00 C ATOM 713 OD1 ASN A 95 2.583 -1.481 -9.937 1.00 0.00 O ATOM 714 ND2 ASN A 95 4.691 -1.519 -10.690 1.00 0.00 N ATOM 0 H ASN A 95 4.789 -2.691 -7.460 1.00 0.00 H new ATOM 0 HA ASN A 95 6.303 -0.931 -9.025 1.00 0.00 H new ATOM 0 HB2 ASN A 95 3.579 -0.738 -7.703 1.00 0.00 H new ATOM 0 HB3 ASN A 95 4.221 0.565 -8.684 1.00 0.00 H new ATOM 0 HD21 ASN A 95 4.418 -1.984 -11.556 1.00 0.00 H new ATOM 0 HD22 ASN A 95 5.670 -1.285 -10.523 1.00 0.00 H new ATOM 721 N PHE A 96 5.844 0.048 -5.901 1.00 0.00 N ATOM 722 CA PHE A 96 6.401 0.941 -4.890 1.00 0.00 C ATOM 723 C PHE A 96 7.871 0.621 -4.657 1.00 0.00 C ATOM 724 O PHE A 96 8.694 1.525 -4.506 1.00 0.00 O ATOM 725 CB PHE A 96 5.611 0.848 -3.580 1.00 0.00 C ATOM 726 CG PHE A 96 6.240 1.604 -2.440 1.00 0.00 C ATOM 727 CD1 PHE A 96 6.415 2.980 -2.515 1.00 0.00 C ATOM 728 CD2 PHE A 96 6.669 0.942 -1.298 1.00 0.00 C ATOM 729 CE1 PHE A 96 7.001 3.677 -1.477 1.00 0.00 C ATOM 730 CE2 PHE A 96 7.257 1.635 -0.258 1.00 0.00 C ATOM 731 CZ PHE A 96 7.423 3.003 -0.347 1.00 0.00 C ATOM 0 H PHE A 96 5.135 -0.598 -5.556 1.00 0.00 H new ATOM 0 HA PHE A 96 6.322 1.965 -5.255 1.00 0.00 H new ATOM 0 HB2 PHE A 96 4.603 1.230 -3.746 1.00 0.00 H new ATOM 0 HB3 PHE A 96 5.513 -0.200 -3.299 1.00 0.00 H new ATOM 0 HD1 PHE A 96 6.088 3.512 -3.397 1.00 0.00 H new ATOM 0 HD2 PHE A 96 6.542 -0.128 -1.222 1.00 0.00 H new ATOM 0 HE1 PHE A 96 7.129 4.747 -1.548 1.00 0.00 H new ATOM 0 HE2 PHE A 96 7.587 1.107 0.625 1.00 0.00 H new ATOM 0 HZ PHE A 96 7.882 3.546 0.466 1.00 0.00 H new ATOM 741 N LEU A 97 8.197 -0.664 -4.650 1.00 0.00 N ATOM 742 CA LEU A 97 9.565 -1.103 -4.441 1.00 0.00 C ATOM 743 C LEU A 97 10.484 -0.551 -5.524 1.00 0.00 C ATOM 744 O LEU A 97 11.535 -0.002 -5.226 1.00 0.00 O ATOM 745 CB LEU A 97 9.622 -2.627 -4.421 1.00 0.00 C ATOM 746 CG LEU A 97 10.350 -3.222 -3.227 1.00 0.00 C ATOM 747 CD1 LEU A 97 9.619 -2.862 -1.949 1.00 0.00 C ATOM 748 CD2 LEU A 97 10.457 -4.727 -3.370 1.00 0.00 C ATOM 0 H LEU A 97 7.528 -1.422 -4.787 1.00 0.00 H new ATOM 0 HA LEU A 97 9.910 -0.721 -3.480 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.603 -3.015 -4.438 1.00 0.00 H new ATOM 0 HB3 LEU A 97 10.109 -2.970 -5.334 1.00 0.00 H new ATOM 0 HG LEU A 97 11.358 -2.810 -3.185 1.00 0.00 H new ATOM 0 HD11 LEU A 97 10.145 -3.291 -1.096 1.00 0.00 H new ATOM 0 HD12 LEU A 97 9.581 -1.778 -1.844 1.00 0.00 H new ATOM 0 HD13 LEU A 97 8.604 -3.258 -1.986 1.00 0.00 H new ATOM 0 HD21 LEU A 97 10.981 -5.138 -2.507 1.00 0.00 H new ATOM 0 HD22 LEU A 97 9.458 -5.159 -3.428 1.00 0.00 H new ATOM 0 HD23 LEU A 97 11.009 -4.968 -4.278 1.00 0.00 H new ATOM 760 N GLN A 98 10.075 -0.671 -6.780 1.00 0.00 N ATOM 761 CA GLN A 98 10.859 -0.130 -7.886 1.00 0.00 C ATOM 762 C GLN A 98 10.822 1.400 -7.882 1.00 0.00 C ATOM 763 O GLN A 98 11.825 2.056 -8.169 1.00 0.00 O ATOM 764 CB GLN A 98 10.362 -0.679 -9.229 1.00 0.00 C ATOM 765 CG GLN A 98 8.924 -0.317 -9.538 1.00 0.00 C ATOM 766 CD GLN A 98 8.406 -0.959 -10.809 1.00 0.00 C ATOM 767 OE1 GLN A 98 7.528 -0.416 -11.482 1.00 0.00 O ATOM 768 NE2 GLN A 98 8.939 -2.120 -11.145 1.00 0.00 N ATOM 0 H GLN A 98 9.211 -1.135 -7.059 1.00 0.00 H new ATOM 0 HA GLN A 98 11.893 -0.447 -7.751 1.00 0.00 H new ATOM 0 HB2 GLN A 98 11.002 -0.301 -10.026 1.00 0.00 H new ATOM 0 HB3 GLN A 98 10.462 -1.764 -9.228 1.00 0.00 H new ATOM 0 HG2 GLN A 98 8.293 -0.619 -8.703 1.00 0.00 H new ATOM 0 HG3 GLN A 98 8.840 0.766 -9.625 1.00 0.00 H new ATOM 0 HE21 GLN A 98 9.664 -2.536 -10.561 1.00 0.00 H new ATOM 0 HE22 GLN A 98 8.626 -2.600 -11.989 1.00 0.00 H new ATOM 777 N LYS A 99 9.660 1.949 -7.532 1.00 0.00 N ATOM 778 CA LYS A 99 9.433 3.392 -7.553 1.00 0.00 C ATOM 779 C LYS A 99 10.302 4.113 -6.528 1.00 0.00 C ATOM 780 O LYS A 99 10.902 5.143 -6.827 1.00 0.00 O ATOM 781 CB LYS A 99 7.948 3.682 -7.281 1.00 0.00 C ATOM 782 CG LYS A 99 7.612 5.162 -7.165 1.00 0.00 C ATOM 783 CD LYS A 99 7.550 5.596 -5.709 1.00 0.00 C ATOM 784 CE LYS A 99 7.948 7.053 -5.542 1.00 0.00 C ATOM 785 NZ LYS A 99 7.928 7.476 -4.116 1.00 0.00 N ATOM 0 H LYS A 99 8.852 1.407 -7.227 1.00 0.00 H new ATOM 0 HA LYS A 99 9.708 3.765 -8.540 1.00 0.00 H new ATOM 0 HB2 LYS A 99 7.352 3.247 -8.083 1.00 0.00 H new ATOM 0 HB3 LYS A 99 7.655 3.181 -6.358 1.00 0.00 H new ATOM 0 HG2 LYS A 99 8.363 5.751 -7.692 1.00 0.00 H new ATOM 0 HG3 LYS A 99 6.655 5.360 -7.648 1.00 0.00 H new ATOM 0 HD2 LYS A 99 6.540 5.448 -5.327 1.00 0.00 H new ATOM 0 HD3 LYS A 99 8.211 4.967 -5.113 1.00 0.00 H new ATOM 0 HE2 LYS A 99 8.947 7.205 -5.951 1.00 0.00 H new ATOM 0 HE3 LYS A 99 7.269 7.683 -6.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 8.318 8.437 -4.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 6.949 7.468 -3.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 8.503 6.819 -3.551 1.00 0.00 H new ATOM 799 N ASN A 100 10.368 3.571 -5.323 1.00 0.00 N ATOM 800 CA ASN A 100 11.136 4.194 -4.255 1.00 0.00 C ATOM 801 C ASN A 100 12.530 3.594 -4.194 1.00 0.00 C ATOM 802 O ASN A 100 13.383 4.038 -3.422 1.00 0.00 O ATOM 803 CB ASN A 100 10.427 4.033 -2.910 1.00 0.00 C ATOM 804 CG ASN A 100 10.411 5.321 -2.113 1.00 0.00 C ATOM 805 OD1 ASN A 100 9.478 6.119 -2.228 1.00 0.00 O ATOM 806 ND2 ASN A 100 11.439 5.542 -1.307 1.00 0.00 N ATOM 0 H ASN A 100 9.901 2.703 -5.059 1.00 0.00 H new ATOM 0 HA ASN A 100 11.220 5.260 -4.469 1.00 0.00 H new ATOM 0 HB2 ASN A 100 9.403 3.700 -3.079 1.00 0.00 H new ATOM 0 HB3 ASN A 100 10.924 3.255 -2.330 1.00 0.00 H new ATOM 0 HD21 ASN A 100 11.478 6.398 -0.753 1.00 0.00 H new ATOM 0 HD22 ASN A 100 12.191 4.856 -1.240 1.00 0.00 H new ATOM 813 N ASP A 101 12.726 2.565 -5.018 1.00 0.00 N ATOM 814 CA ASP A 101 14.011 1.881 -5.161 1.00 0.00 C ATOM 815 C ASP A 101 14.358 1.102 -3.890 1.00 0.00 C ATOM 816 O ASP A 101 15.445 1.243 -3.328 1.00 0.00 O ATOM 817 CB ASP A 101 15.119 2.879 -5.527 1.00 0.00 C ATOM 818 CG ASP A 101 16.347 2.208 -6.109 1.00 0.00 C ATOM 819 OD1 ASP A 101 16.283 1.744 -7.271 1.00 0.00 O ATOM 820 OD2 ASP A 101 17.382 2.137 -5.415 1.00 0.00 O ATOM 0 H ASP A 101 11.991 2.179 -5.610 1.00 0.00 H new ATOM 0 HA ASP A 101 13.929 1.162 -5.976 1.00 0.00 H new ATOM 0 HB2 ASP A 101 14.729 3.599 -6.246 1.00 0.00 H new ATOM 0 HB3 ASP A 101 15.405 3.440 -4.637 1.00 0.00 H new ATOM 825 N LEU A 102 13.411 0.296 -3.427 1.00 0.00 N ATOM 826 CA LEU A 102 13.619 -0.556 -2.267 1.00 0.00 C ATOM 827 C LEU A 102 14.097 -1.933 -2.710 1.00 0.00 C ATOM 828 O LEU A 102 14.030 -2.282 -3.891 1.00 0.00 O ATOM 829 CB LEU A 102 12.328 -0.723 -1.451 1.00 0.00 C ATOM 830 CG LEU A 102 11.666 0.550 -0.913 1.00 0.00 C ATOM 831 CD1 LEU A 102 12.631 1.719 -0.858 1.00 0.00 C ATOM 832 CD2 LEU A 102 10.453 0.878 -1.749 1.00 0.00 C ATOM 0 H LEU A 102 12.483 0.216 -3.843 1.00 0.00 H new ATOM 0 HA LEU A 102 14.371 -0.077 -1.641 1.00 0.00 H new ATOM 0 HB2 LEU A 102 11.601 -1.244 -2.074 1.00 0.00 H new ATOM 0 HB3 LEU A 102 12.546 -1.373 -0.604 1.00 0.00 H new ATOM 0 HG LEU A 102 11.353 0.364 0.114 1.00 0.00 H new ATOM 0 HD11 LEU A 102 12.116 2.598 -0.470 1.00 0.00 H new ATOM 0 HD12 LEU A 102 13.467 1.470 -0.204 1.00 0.00 H new ATOM 0 HD13 LEU A 102 13.005 1.930 -1.860 1.00 0.00 H new ATOM 0 HD21 LEU A 102 9.982 1.783 -1.367 1.00 0.00 H new ATOM 0 HD22 LEU A 102 10.756 1.036 -2.784 1.00 0.00 H new ATOM 0 HD23 LEU A 102 9.744 0.052 -1.701 1.00 0.00 H new ATOM 844 N ASN A 103 14.565 -2.709 -1.752 1.00 0.00 N ATOM 845 CA ASN A 103 15.056 -4.053 -2.011 1.00 0.00 C ATOM 846 C ASN A 103 13.894 -5.027 -2.181 1.00 0.00 C ATOM 847 O ASN A 103 12.908 -4.958 -1.449 1.00 0.00 O ATOM 848 CB ASN A 103 15.926 -4.507 -0.844 1.00 0.00 C ATOM 849 CG ASN A 103 16.804 -5.686 -1.201 1.00 0.00 C ATOM 850 OD1 ASN A 103 16.405 -6.840 -1.043 1.00 0.00 O ATOM 851 ND2 ASN A 103 18.000 -5.407 -1.691 1.00 0.00 N ATOM 0 H ASN A 103 14.617 -2.428 -0.773 1.00 0.00 H new ATOM 0 HA ASN A 103 15.641 -4.040 -2.931 1.00 0.00 H new ATOM 0 HB2 ASN A 103 16.553 -3.677 -0.518 1.00 0.00 H new ATOM 0 HB3 ASN A 103 15.288 -4.775 -0.002 1.00 0.00 H new ATOM 0 HD21 ASN A 103 18.632 -6.163 -1.955 1.00 0.00 H new ATOM 0 HD22 ASN A 103 18.290 -4.436 -1.805 1.00 0.00 H new ATOM 858 N PRO A 104 14.011 -5.964 -3.144 1.00 0.00 N ATOM 859 CA PRO A 104 12.969 -6.964 -3.441 1.00 0.00 C ATOM 860 C PRO A 104 12.619 -7.836 -2.235 1.00 0.00 C ATOM 861 O PRO A 104 11.609 -8.541 -2.237 1.00 0.00 O ATOM 862 CB PRO A 104 13.588 -7.810 -4.556 1.00 0.00 C ATOM 863 CG PRO A 104 14.615 -6.925 -5.170 1.00 0.00 C ATOM 864 CD PRO A 104 15.168 -6.113 -4.038 1.00 0.00 C ATOM 0 HA PRO A 104 12.028 -6.490 -3.720 1.00 0.00 H new ATOM 0 HB2 PRO A 104 14.035 -8.722 -4.160 1.00 0.00 H new ATOM 0 HB3 PRO A 104 12.838 -8.114 -5.286 1.00 0.00 H new ATOM 0 HG2 PRO A 104 15.398 -7.509 -5.654 1.00 0.00 H new ATOM 0 HG3 PRO A 104 14.176 -6.285 -5.935 1.00 0.00 H new ATOM 0 HD2 PRO A 104 15.997 -6.620 -3.544 1.00 0.00 H new ATOM 0 HD3 PRO A 104 15.542 -5.148 -4.379 1.00 0.00 H new ATOM 872 N MET A 105 13.458 -7.777 -1.209 1.00 0.00 N ATOM 873 CA MET A 105 13.194 -8.457 0.054 1.00 0.00 C ATOM 874 C MET A 105 11.935 -7.897 0.716 1.00 0.00 C ATOM 875 O MET A 105 11.243 -8.599 1.455 1.00 0.00 O ATOM 876 CB MET A 105 14.391 -8.286 0.993 1.00 0.00 C ATOM 877 CG MET A 105 14.177 -8.845 2.391 1.00 0.00 C ATOM 878 SD MET A 105 15.545 -8.462 3.501 1.00 0.00 S ATOM 879 CE MET A 105 14.952 -9.188 5.028 1.00 0.00 C ATOM 0 H MET A 105 14.337 -7.259 -1.227 1.00 0.00 H new ATOM 0 HA MET A 105 13.038 -9.517 -0.148 1.00 0.00 H new ATOM 0 HB2 MET A 105 15.259 -8.774 0.549 1.00 0.00 H new ATOM 0 HB3 MET A 105 14.627 -7.225 1.071 1.00 0.00 H new ATOM 0 HG2 MET A 105 13.253 -8.440 2.804 1.00 0.00 H new ATOM 0 HG3 MET A 105 14.052 -9.926 2.332 1.00 0.00 H new ATOM 0 HE1 MET A 105 15.690 -9.034 5.815 1.00 0.00 H new ATOM 0 HE2 MET A 105 14.012 -8.716 5.314 1.00 0.00 H new ATOM 0 HE3 MET A 105 14.792 -10.257 4.885 1.00 0.00 H new ATOM 889 N PHE A 106 11.621 -6.640 0.421 1.00 0.00 N ATOM 890 CA PHE A 106 10.526 -5.952 1.088 1.00 0.00 C ATOM 891 C PHE A 106 9.196 -6.270 0.422 1.00 0.00 C ATOM 892 O PHE A 106 8.140 -6.104 1.028 1.00 0.00 O ATOM 893 CB PHE A 106 10.766 -4.439 1.080 1.00 0.00 C ATOM 894 CG PHE A 106 11.964 -4.001 1.879 1.00 0.00 C ATOM 895 CD1 PHE A 106 11.972 -4.139 3.258 1.00 0.00 C ATOM 896 CD2 PHE A 106 13.078 -3.449 1.257 1.00 0.00 C ATOM 897 CE1 PHE A 106 13.064 -3.737 4.001 1.00 0.00 C ATOM 898 CE2 PHE A 106 14.170 -3.045 1.999 1.00 0.00 C ATOM 899 CZ PHE A 106 14.164 -3.190 3.372 1.00 0.00 C ATOM 0 H PHE A 106 12.110 -6.078 -0.276 1.00 0.00 H new ATOM 0 HA PHE A 106 10.486 -6.302 2.120 1.00 0.00 H new ATOM 0 HB2 PHE A 106 10.890 -4.107 0.049 1.00 0.00 H new ATOM 0 HB3 PHE A 106 9.880 -3.940 1.471 1.00 0.00 H new ATOM 0 HD1 PHE A 106 11.114 -4.566 3.757 1.00 0.00 H new ATOM 0 HD2 PHE A 106 13.089 -3.335 0.183 1.00 0.00 H new ATOM 0 HE1 PHE A 106 13.057 -3.851 5.075 1.00 0.00 H new ATOM 0 HE2 PHE A 106 15.029 -2.615 1.505 1.00 0.00 H new ATOM 0 HZ PHE A 106 15.019 -2.876 3.953 1.00 0.00 H new ATOM 909 N LEU A 107 9.269 -6.763 -0.812 1.00 0.00 N ATOM 910 CA LEU A 107 8.091 -7.001 -1.648 1.00 0.00 C ATOM 911 C LEU A 107 7.048 -7.872 -0.954 1.00 0.00 C ATOM 912 O LEU A 107 5.865 -7.533 -0.941 1.00 0.00 O ATOM 913 CB LEU A 107 8.530 -7.640 -2.968 1.00 0.00 C ATOM 914 CG LEU A 107 7.416 -8.130 -3.891 1.00 0.00 C ATOM 915 CD1 LEU A 107 6.477 -7.000 -4.235 1.00 0.00 C ATOM 916 CD2 LEU A 107 8.007 -8.705 -5.160 1.00 0.00 C ATOM 0 H LEU A 107 10.150 -7.010 -1.264 1.00 0.00 H new ATOM 0 HA LEU A 107 7.616 -6.039 -1.839 1.00 0.00 H new ATOM 0 HB2 LEU A 107 9.132 -6.914 -3.515 1.00 0.00 H new ATOM 0 HB3 LEU A 107 9.180 -8.485 -2.739 1.00 0.00 H new ATOM 0 HG LEU A 107 6.856 -8.907 -3.371 1.00 0.00 H new ATOM 0 HD11 LEU A 107 5.690 -7.368 -4.893 1.00 0.00 H new ATOM 0 HD12 LEU A 107 6.031 -6.606 -3.321 1.00 0.00 H new ATOM 0 HD13 LEU A 107 7.030 -6.208 -4.739 1.00 0.00 H new ATOM 0 HD21 LEU A 107 7.204 -9.051 -5.811 1.00 0.00 H new ATOM 0 HD22 LEU A 107 8.584 -7.936 -5.673 1.00 0.00 H new ATOM 0 HD23 LEU A 107 8.659 -9.542 -4.911 1.00 0.00 H new ATOM 928 N ASP A 108 7.478 -8.977 -0.368 1.00 0.00 N ATOM 929 CA ASP A 108 6.545 -9.894 0.274 1.00 0.00 C ATOM 930 C ASP A 108 5.849 -9.221 1.454 1.00 0.00 C ATOM 931 O ASP A 108 4.636 -9.322 1.602 1.00 0.00 O ATOM 932 CB ASP A 108 7.264 -11.163 0.741 1.00 0.00 C ATOM 933 CG ASP A 108 6.324 -12.143 1.421 1.00 0.00 C ATOM 934 OD1 ASP A 108 5.636 -12.905 0.710 1.00 0.00 O ATOM 935 OD2 ASP A 108 6.274 -12.153 2.668 1.00 0.00 O ATOM 0 H ASP A 108 8.457 -9.261 -0.322 1.00 0.00 H new ATOM 0 HA ASP A 108 5.791 -10.173 -0.462 1.00 0.00 H new ATOM 0 HB2 ASP A 108 7.733 -11.648 -0.115 1.00 0.00 H new ATOM 0 HB3 ASP A 108 8.063 -10.892 1.431 1.00 0.00 H new ATOM 940 N GLN A 109 6.616 -8.495 2.260 1.00 0.00 N ATOM 941 CA GLN A 109 6.083 -7.854 3.457 1.00 0.00 C ATOM 942 C GLN A 109 4.981 -6.856 3.111 1.00 0.00 C ATOM 943 O GLN A 109 3.893 -6.886 3.702 1.00 0.00 O ATOM 944 CB GLN A 109 7.216 -7.158 4.211 1.00 0.00 C ATOM 945 CG GLN A 109 6.748 -6.060 5.150 1.00 0.00 C ATOM 946 CD GLN A 109 7.879 -5.466 5.964 1.00 0.00 C ATOM 947 OE1 GLN A 109 8.858 -6.145 6.271 1.00 0.00 O ATOM 948 NE2 GLN A 109 7.748 -4.200 6.325 1.00 0.00 N ATOM 0 H GLN A 109 7.612 -8.335 2.106 1.00 0.00 H new ATOM 0 HA GLN A 109 5.642 -8.622 4.092 1.00 0.00 H new ATOM 0 HB2 GLN A 109 7.768 -7.902 4.785 1.00 0.00 H new ATOM 0 HB3 GLN A 109 7.912 -6.732 3.488 1.00 0.00 H new ATOM 0 HG2 GLN A 109 6.270 -5.271 4.570 1.00 0.00 H new ATOM 0 HG3 GLN A 109 5.992 -6.462 5.825 1.00 0.00 H new ATOM 0 HE21 GLN A 109 6.919 -3.674 6.048 1.00 0.00 H new ATOM 0 HE22 GLN A 109 8.476 -3.750 6.880 1.00 0.00 H new ATOM 957 N VAL A 110 5.250 -5.995 2.142 1.00 0.00 N ATOM 958 CA VAL A 110 4.282 -4.997 1.733 1.00 0.00 C ATOM 959 C VAL A 110 3.087 -5.642 1.052 1.00 0.00 C ATOM 960 O VAL A 110 1.944 -5.318 1.361 1.00 0.00 O ATOM 961 CB VAL A 110 4.903 -3.927 0.811 1.00 0.00 C ATOM 962 CG1 VAL A 110 5.570 -2.855 1.631 1.00 0.00 C ATOM 963 CG2 VAL A 110 5.924 -4.532 -0.125 1.00 0.00 C ATOM 0 H VAL A 110 6.130 -5.969 1.627 1.00 0.00 H new ATOM 0 HA VAL A 110 3.944 -4.498 2.641 1.00 0.00 H new ATOM 0 HB VAL A 110 4.094 -3.496 0.221 1.00 0.00 H new ATOM 0 HG11 VAL A 110 6.004 -2.107 0.968 1.00 0.00 H new ATOM 0 HG12 VAL A 110 4.833 -2.381 2.280 1.00 0.00 H new ATOM 0 HG13 VAL A 110 6.357 -3.300 2.240 1.00 0.00 H new ATOM 0 HG21 VAL A 110 6.342 -3.752 -0.761 1.00 0.00 H new ATOM 0 HG22 VAL A 110 6.722 -4.993 0.456 1.00 0.00 H new ATOM 0 HG23 VAL A 110 5.445 -5.288 -0.747 1.00 0.00 H new ATOM 973 N ALA A 111 3.351 -6.581 0.155 1.00 0.00 N ATOM 974 CA ALA A 111 2.291 -7.233 -0.595 1.00 0.00 C ATOM 975 C ALA A 111 1.381 -8.044 0.314 1.00 0.00 C ATOM 976 O ALA A 111 0.176 -8.083 0.102 1.00 0.00 O ATOM 977 CB ALA A 111 2.873 -8.123 -1.670 1.00 0.00 C ATOM 0 H ALA A 111 4.291 -6.907 -0.070 1.00 0.00 H new ATOM 0 HA ALA A 111 1.692 -6.452 -1.063 1.00 0.00 H new ATOM 0 HB1 ALA A 111 2.065 -8.603 -2.222 1.00 0.00 H new ATOM 0 HB2 ALA A 111 3.473 -7.523 -2.354 1.00 0.00 H new ATOM 0 HB3 ALA A 111 3.502 -8.886 -1.210 1.00 0.00 H new ATOM 983 N LYS A 112 1.946 -8.695 1.319 1.00 0.00 N ATOM 984 CA LYS A 112 1.145 -9.476 2.249 1.00 0.00 C ATOM 985 C LYS A 112 0.218 -8.581 3.062 1.00 0.00 C ATOM 986 O LYS A 112 -0.908 -8.971 3.376 1.00 0.00 O ATOM 987 CB LYS A 112 2.032 -10.317 3.163 1.00 0.00 C ATOM 988 CG LYS A 112 2.718 -11.463 2.435 1.00 0.00 C ATOM 989 CD LYS A 112 1.719 -12.448 1.843 1.00 0.00 C ATOM 990 CE LYS A 112 0.980 -13.223 2.921 1.00 0.00 C ATOM 991 NZ LYS A 112 1.915 -14.003 3.777 1.00 0.00 N ATOM 0 H LYS A 112 2.948 -8.699 1.511 1.00 0.00 H new ATOM 0 HA LYS A 112 0.525 -10.155 1.664 1.00 0.00 H new ATOM 0 HB2 LYS A 112 2.789 -9.676 3.615 1.00 0.00 H new ATOM 0 HB3 LYS A 112 1.428 -10.720 3.976 1.00 0.00 H new ATOM 0 HG2 LYS A 112 3.345 -11.062 1.639 1.00 0.00 H new ATOM 0 HG3 LYS A 112 3.377 -11.988 3.127 1.00 0.00 H new ATOM 0 HD2 LYS A 112 1.000 -11.909 1.226 1.00 0.00 H new ATOM 0 HD3 LYS A 112 2.241 -13.145 1.188 1.00 0.00 H new ATOM 0 HE2 LYS A 112 0.410 -12.531 3.541 1.00 0.00 H new ATOM 0 HE3 LYS A 112 0.262 -13.899 2.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 1.384 -14.728 4.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 2.631 -14.463 3.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 2.384 -13.364 4.450 1.00 0.00 H new ATOM 1005 N PHE A 113 0.675 -7.376 3.386 1.00 0.00 N ATOM 1006 CA PHE A 113 -0.182 -6.416 4.073 1.00 0.00 C ATOM 1007 C PHE A 113 -1.264 -5.918 3.117 1.00 0.00 C ATOM 1008 O PHE A 113 -2.426 -5.762 3.500 1.00 0.00 O ATOM 1009 CB PHE A 113 0.634 -5.238 4.610 1.00 0.00 C ATOM 1010 CG PHE A 113 -0.064 -4.509 5.724 1.00 0.00 C ATOM 1011 CD1 PHE A 113 -1.094 -3.624 5.453 1.00 0.00 C ATOM 1012 CD2 PHE A 113 0.302 -4.722 7.043 1.00 0.00 C ATOM 1013 CE1 PHE A 113 -1.745 -2.962 6.475 1.00 0.00 C ATOM 1014 CE2 PHE A 113 -0.343 -4.062 8.071 1.00 0.00 C ATOM 1015 CZ PHE A 113 -1.368 -3.182 7.788 1.00 0.00 C ATOM 0 H PHE A 113 1.619 -7.044 3.188 1.00 0.00 H new ATOM 0 HA PHE A 113 -0.651 -6.914 4.922 1.00 0.00 H new ATOM 0 HB2 PHE A 113 1.598 -5.601 4.967 1.00 0.00 H new ATOM 0 HB3 PHE A 113 0.837 -4.541 3.797 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -1.392 -3.449 4.430 1.00 0.00 H new ATOM 0 HD2 PHE A 113 1.101 -5.412 7.270 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -2.547 -2.274 6.250 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -0.046 -4.234 9.095 1.00 0.00 H new ATOM 0 HZ PHE A 113 -1.875 -2.666 8.590 1.00 0.00 H new ATOM 1025 N ILE A 114 -0.868 -5.688 1.868 1.00 0.00 N ATOM 1026 CA ILE A 114 -1.799 -5.320 0.814 1.00 0.00 C ATOM 1027 C ILE A 114 -2.878 -6.380 0.659 1.00 0.00 C ATOM 1028 O ILE A 114 -4.064 -6.065 0.536 1.00 0.00 O ATOM 1029 CB ILE A 114 -1.070 -5.186 -0.526 1.00 0.00 C ATOM 1030 CG1 ILE A 114 -0.072 -4.040 -0.495 1.00 0.00 C ATOM 1031 CG2 ILE A 114 -2.062 -4.994 -1.655 1.00 0.00 C ATOM 1032 CD1 ILE A 114 0.941 -4.132 -1.608 1.00 0.00 C ATOM 0 H ILE A 114 0.103 -5.752 1.563 1.00 0.00 H new ATOM 0 HA ILE A 114 -2.248 -4.367 1.092 1.00 0.00 H new ATOM 0 HB ILE A 114 -0.518 -6.109 -0.701 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -0.607 -3.093 -0.571 1.00 0.00 H new ATOM 0 HG13 ILE A 114 0.445 -4.038 0.464 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -1.525 -4.901 -2.599 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -2.731 -5.853 -1.701 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -2.644 -4.090 -1.478 1.00 0.00 H new ATOM 0 HD11 ILE A 114 1.631 -3.291 -1.542 1.00 0.00 H new ATOM 0 HD12 ILE A 114 1.497 -5.065 -1.518 1.00 0.00 H new ATOM 0 HD13 ILE A 114 0.428 -4.106 -2.570 1.00 0.00 H new ATOM 1044 N ILE A 115 -2.449 -7.639 0.679 1.00 0.00 N ATOM 1045 CA ILE A 115 -3.358 -8.761 0.556 1.00 0.00 C ATOM 1046 C ILE A 115 -4.373 -8.733 1.681 1.00 0.00 C ATOM 1047 O ILE A 115 -5.565 -8.806 1.439 1.00 0.00 O ATOM 1048 CB ILE A 115 -2.613 -10.113 0.573 1.00 0.00 C ATOM 1049 CG1 ILE A 115 -1.965 -10.361 -0.779 1.00 0.00 C ATOM 1050 CG2 ILE A 115 -3.575 -11.247 0.909 1.00 0.00 C ATOM 1051 CD1 ILE A 115 -0.802 -11.314 -0.745 1.00 0.00 C ATOM 0 H ILE A 115 -1.469 -7.903 0.780 1.00 0.00 H new ATOM 0 HA ILE A 115 -3.863 -8.666 -0.405 1.00 0.00 H new ATOM 0 HB ILE A 115 -1.839 -10.078 1.339 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -2.719 -10.751 -1.463 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -1.627 -9.408 -1.186 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -3.034 -12.193 0.917 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -4.015 -11.072 1.891 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -4.366 -11.288 0.160 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -0.400 -11.433 -1.751 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -0.027 -10.919 -0.089 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -1.135 -12.282 -0.370 1.00 0.00 H new ATOM 1063 N ASP A 116 -3.884 -8.587 2.905 1.00 0.00 N ATOM 1064 CA ASP A 116 -4.742 -8.601 4.087 1.00 0.00 C ATOM 1065 C ASP A 116 -5.856 -7.565 3.995 1.00 0.00 C ATOM 1066 O ASP A 116 -6.977 -7.814 4.439 1.00 0.00 O ATOM 1067 CB ASP A 116 -3.921 -8.377 5.356 1.00 0.00 C ATOM 1068 CG ASP A 116 -3.808 -9.637 6.187 1.00 0.00 C ATOM 1069 OD1 ASP A 116 -4.858 -10.217 6.536 1.00 0.00 O ATOM 1070 OD2 ASP A 116 -2.675 -10.068 6.479 1.00 0.00 O ATOM 0 H ASP A 116 -2.893 -8.457 3.108 1.00 0.00 H new ATOM 0 HA ASP A 116 -5.206 -9.586 4.133 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -2.924 -8.030 5.086 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -4.382 -7.590 5.952 1.00 0.00 H new ATOM 1075 N ASN A 117 -5.547 -6.417 3.405 1.00 0.00 N ATOM 1076 CA ASN A 117 -6.518 -5.333 3.261 1.00 0.00 C ATOM 1077 C ASN A 117 -7.736 -5.767 2.437 1.00 0.00 C ATOM 1078 O ASN A 117 -8.869 -5.408 2.763 1.00 0.00 O ATOM 1079 CB ASN A 117 -5.849 -4.108 2.624 1.00 0.00 C ATOM 1080 CG ASN A 117 -6.806 -2.944 2.421 1.00 0.00 C ATOM 1081 OD1 ASN A 117 -7.017 -2.131 3.319 1.00 0.00 O ATOM 1082 ND2 ASN A 117 -7.377 -2.845 1.228 1.00 0.00 N ATOM 0 H ASN A 117 -4.627 -6.210 3.016 1.00 0.00 H new ATOM 0 HA ASN A 117 -6.874 -5.070 4.257 1.00 0.00 H new ATOM 0 HB2 ASN A 117 -5.021 -3.784 3.255 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -5.424 -4.393 1.662 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -8.016 -2.075 1.031 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -7.177 -3.539 0.508 1.00 0.00 H new ATOM 1089 N THR A 118 -7.511 -6.540 1.379 1.00 0.00 N ATOM 1090 CA THR A 118 -8.604 -6.982 0.515 1.00 0.00 C ATOM 1091 C THR A 118 -9.022 -8.424 0.820 1.00 0.00 C ATOM 1092 O THR A 118 -10.160 -8.822 0.564 1.00 0.00 O ATOM 1093 CB THR A 118 -8.225 -6.847 -0.970 1.00 0.00 C ATOM 1094 OG1 THR A 118 -6.894 -7.329 -1.185 1.00 0.00 O ATOM 1095 CG2 THR A 118 -8.329 -5.400 -1.426 1.00 0.00 C ATOM 0 H THR A 118 -6.588 -6.872 1.099 1.00 0.00 H new ATOM 0 HA THR A 118 -9.454 -6.332 0.721 1.00 0.00 H new ATOM 0 HB THR A 118 -8.923 -7.446 -1.555 1.00 0.00 H new ATOM 0 HG1 THR A 118 -6.720 -7.390 -2.147 1.00 0.00 H new ATOM 0 HG21 THR A 118 -8.056 -5.330 -2.479 1.00 0.00 H new ATOM 0 HG22 THR A 118 -9.352 -5.049 -1.292 1.00 0.00 H new ATOM 0 HG23 THR A 118 -7.653 -4.783 -0.834 1.00 0.00 H new ATOM 1103 N LYS A 119 -8.086 -9.207 1.347 1.00 0.00 N ATOM 1104 CA LYS A 119 -8.372 -10.558 1.810 1.00 0.00 C ATOM 1105 C LYS A 119 -9.386 -10.507 2.945 1.00 0.00 C ATOM 1106 O LYS A 119 -10.504 -11.011 2.823 1.00 0.00 O ATOM 1107 CB LYS A 119 -7.080 -11.256 2.268 1.00 0.00 C ATOM 1108 CG LYS A 119 -7.321 -12.400 3.234 1.00 0.00 C ATOM 1109 CD LYS A 119 -6.116 -13.331 3.338 1.00 0.00 C ATOM 1110 CE LYS A 119 -4.908 -12.674 4.000 1.00 0.00 C ATOM 1111 NZ LYS A 119 -5.057 -12.568 5.475 1.00 0.00 N ATOM 0 H LYS A 119 -7.113 -8.924 1.464 1.00 0.00 H new ATOM 0 HA LYS A 119 -8.793 -11.134 0.986 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -6.551 -11.635 1.393 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -6.428 -10.522 2.742 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -7.553 -11.998 4.220 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -8.191 -12.970 2.909 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -6.397 -14.217 3.907 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -5.837 -13.668 2.340 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -4.012 -13.251 3.769 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -4.764 -11.679 3.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -4.152 -12.797 5.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -5.337 -11.598 5.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -5.787 -13.234 5.799 1.00 0.00 H new ATOM 1125 N GLY A 120 -8.985 -9.914 4.055 1.00 0.00 N ATOM 1126 CA GLY A 120 -9.922 -9.655 5.120 1.00 0.00 C ATOM 1127 C GLY A 120 -9.264 -9.113 6.367 1.00 0.00 C ATOM 1128 O GLY A 120 -9.786 -8.189 6.987 1.00 0.00 O ATOM 0 H GLY A 120 -8.029 -9.608 4.237 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -10.671 -8.943 4.772 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -10.449 -10.577 5.365 1.00 0.00 H new ATOM 1132 N GLN A 121 -8.125 -9.704 6.728 1.00 0.00 N ATOM 1133 CA GLN A 121 -7.388 -9.347 7.936 1.00 0.00 C ATOM 1134 C GLN A 121 -8.216 -9.678 9.180 1.00 0.00 C ATOM 1135 O GLN A 121 -7.983 -10.694 9.833 1.00 0.00 O ATOM 1136 CB GLN A 121 -6.983 -7.866 7.913 1.00 0.00 C ATOM 1137 CG GLN A 121 -5.764 -7.532 8.768 1.00 0.00 C ATOM 1138 CD GLN A 121 -5.987 -7.753 10.253 1.00 0.00 C ATOM 1139 OE1 GLN A 121 -5.719 -8.833 10.783 1.00 0.00 O ATOM 1140 NE2 GLN A 121 -6.490 -6.736 10.932 1.00 0.00 N ATOM 0 H GLN A 121 -7.687 -10.448 6.186 1.00 0.00 H new ATOM 0 HA GLN A 121 -6.472 -9.937 7.971 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -6.780 -7.573 6.883 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -7.826 -7.266 8.255 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -4.922 -8.142 8.440 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -5.487 -6.491 8.601 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -6.698 -5.858 10.456 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -6.670 -6.829 11.932 1.00 0.00 H new ATOM 1149 N MET A 122 -9.193 -8.831 9.487 1.00 0.00 N ATOM 1150 CA MET A 122 -10.067 -9.048 10.635 1.00 0.00 C ATOM 1151 C MET A 122 -11.096 -10.136 10.336 1.00 0.00 C ATOM 1152 O MET A 122 -11.678 -10.729 11.244 1.00 0.00 O ATOM 1153 CB MET A 122 -10.753 -7.736 11.068 1.00 0.00 C ATOM 1154 CG MET A 122 -11.519 -6.991 9.974 1.00 0.00 C ATOM 1155 SD MET A 122 -13.060 -7.795 9.485 1.00 0.00 S ATOM 1156 CE MET A 122 -13.977 -7.745 11.023 1.00 0.00 C ATOM 0 H MET A 122 -9.400 -7.986 8.955 1.00 0.00 H new ATOM 0 HA MET A 122 -9.451 -9.388 11.467 1.00 0.00 H new ATOM 0 HB2 MET A 122 -11.444 -7.961 11.880 1.00 0.00 H new ATOM 0 HB3 MET A 122 -9.993 -7.067 11.472 1.00 0.00 H new ATOM 0 HG2 MET A 122 -11.741 -5.982 10.322 1.00 0.00 H new ATOM 0 HG3 MET A 122 -10.878 -6.892 9.098 1.00 0.00 H new ATOM 0 HE1 MET A 122 -15.017 -7.492 10.818 1.00 0.00 H new ATOM 0 HE2 MET A 122 -13.929 -8.720 11.507 1.00 0.00 H new ATOM 0 HE3 MET A 122 -13.543 -6.992 11.681 1.00 0.00 H new ATOM 1166 N LEU A 123 -11.306 -10.395 9.054 1.00 0.00 N ATOM 1167 CA LEU A 123 -12.222 -11.441 8.627 1.00 0.00 C ATOM 1168 C LEU A 123 -11.470 -12.454 7.771 1.00 0.00 C ATOM 1169 O LEU A 123 -11.038 -13.495 8.259 1.00 0.00 O ATOM 1170 CB LEU A 123 -13.390 -10.832 7.835 1.00 0.00 C ATOM 1171 CG LEU A 123 -14.734 -11.566 7.946 1.00 0.00 C ATOM 1172 CD1 LEU A 123 -14.614 -13.019 7.517 1.00 0.00 C ATOM 1173 CD2 LEU A 123 -15.271 -11.473 9.364 1.00 0.00 C ATOM 0 H LEU A 123 -10.853 -9.894 8.290 1.00 0.00 H new ATOM 0 HA LEU A 123 -12.628 -11.946 9.503 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -13.532 -9.804 8.168 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -13.107 -10.790 6.783 1.00 0.00 H new ATOM 0 HG LEU A 123 -15.436 -11.079 7.269 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -15.584 -13.507 7.609 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -14.281 -13.066 6.480 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -13.890 -13.528 8.154 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -16.224 -11.998 9.427 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -14.560 -11.928 10.053 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -15.415 -10.426 9.631 1.00 0.00 H new ATOM 1185 N GLY A 124 -11.306 -12.135 6.500 1.00 0.00 N ATOM 1186 CA GLY A 124 -10.604 -13.025 5.600 1.00 0.00 C ATOM 1187 C GLY A 124 -11.568 -13.821 4.755 1.00 0.00 C ATOM 1188 O GLY A 124 -11.867 -14.974 5.073 1.00 0.00 O ATOM 0 H GLY A 124 -11.647 -11.274 6.073 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -9.943 -12.446 4.955 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -9.974 -13.704 6.174 1.00 0.00 H new ATOM 1192 N LEU A 125 -12.038 -13.200 3.674 1.00 0.00 N ATOM 1193 CA LEU A 125 -13.105 -13.753 2.843 1.00 0.00 C ATOM 1194 C LEU A 125 -14.360 -13.972 3.682 1.00 0.00 C ATOM 1195 O LEU A 125 -15.157 -13.049 3.861 1.00 0.00 O ATOM 1196 CB LEU A 125 -12.682 -15.053 2.150 1.00 0.00 C ATOM 1197 CG LEU A 125 -11.596 -14.899 1.085 1.00 0.00 C ATOM 1198 CD1 LEU A 125 -10.207 -15.013 1.695 1.00 0.00 C ATOM 1199 CD2 LEU A 125 -11.794 -15.932 -0.006 1.00 0.00 C ATOM 0 H LEU A 125 -11.689 -12.298 3.350 1.00 0.00 H new ATOM 0 HA LEU A 125 -13.321 -13.030 2.057 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -12.328 -15.752 2.908 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -13.561 -15.502 1.688 1.00 0.00 H new ATOM 0 HG LEU A 125 -11.680 -13.904 0.647 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -9.456 -14.899 0.913 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -10.073 -14.232 2.443 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -10.096 -15.990 2.166 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -11.017 -15.817 -0.762 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -11.736 -16.932 0.425 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -12.772 -15.792 -0.467 1.00 0.00 H new ATOM 1211 N GLY A 126 -14.504 -15.180 4.220 1.00 0.00 N ATOM 1212 CA GLY A 126 -15.595 -15.483 5.129 1.00 0.00 C ATOM 1213 C GLY A 126 -16.956 -15.211 4.529 1.00 0.00 C ATOM 1214 O GLY A 126 -17.784 -14.534 5.137 1.00 0.00 O ATOM 0 H GLY A 126 -13.876 -15.963 4.039 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -15.536 -16.531 5.422 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -15.479 -14.891 6.037 1.00 0.00 H new ATOM 1218 N ASN A 127 -17.189 -15.732 3.336 1.00 0.00 N ATOM 1219 CA ASN A 127 -18.455 -15.526 2.657 1.00 0.00 C ATOM 1220 C ASN A 127 -18.862 -16.769 1.881 1.00 0.00 C ATOM 1221 O ASN A 127 -18.346 -17.024 0.790 1.00 0.00 O ATOM 1222 CB ASN A 127 -18.382 -14.334 1.701 1.00 0.00 C ATOM 1223 CG ASN A 127 -19.722 -14.056 1.045 1.00 0.00 C ATOM 1224 OD1 ASN A 127 -19.794 -13.737 -0.141 1.00 0.00 O ATOM 1225 ND2 ASN A 127 -20.794 -14.145 1.820 1.00 0.00 N ATOM 0 H ASN A 127 -16.518 -16.300 2.819 1.00 0.00 H new ATOM 0 HA ASN A 127 -19.203 -15.320 3.422 1.00 0.00 H new ATOM 0 HB2 ASN A 127 -18.054 -13.449 2.247 1.00 0.00 H new ATOM 0 HB3 ASN A 127 -17.634 -14.530 0.932 1.00 0.00 H new ATOM 0 HD21 ASN A 127 -21.718 -13.946 1.437 1.00 0.00 H new ATOM 0 HD22 ASN A 127 -20.695 -14.413 2.799 1.00 0.00 H new ATOM 1232 N PRO A 128 -19.760 -17.576 2.458 1.00 0.00 N ATOM 1233 CA PRO A 128 -20.369 -18.707 1.770 1.00 0.00 C ATOM 1234 C PRO A 128 -21.469 -18.238 0.826 1.00 0.00 C ATOM 1235 O PRO A 128 -21.226 -18.184 -0.394 1.00 0.00 O ATOM 1236 CB PRO A 128 -20.962 -19.561 2.904 1.00 0.00 C ATOM 1237 CG PRO A 128 -20.546 -18.898 4.179 1.00 0.00 C ATOM 1238 CD PRO A 128 -20.246 -17.467 3.833 1.00 0.00 C ATOM 1239 OXT PRO A 128 -22.564 -17.892 1.319 1.00 0.00 O ATOM 0 HA PRO A 128 -19.653 -19.256 1.158 1.00 0.00 H new ATOM 0 HB2 PRO A 128 -22.048 -19.612 2.827 1.00 0.00 H new ATOM 0 HB3 PRO A 128 -20.590 -20.585 2.857 1.00 0.00 H new ATOM 0 HG2 PRO A 128 -21.338 -18.960 4.925 1.00 0.00 H new ATOM 0 HG3 PRO A 128 -19.669 -19.387 4.603 1.00 0.00 H new ATOM 0 HD2 PRO A 128 -21.133 -16.837 3.902 1.00 0.00 H new ATOM 0 HD3 PRO A 128 -19.496 -17.036 4.497 1.00 0.00 H new TER 1247 PRO A 128