USER MOD reduce.3.24.130724 H: found=0, std=0, add=1067, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1064 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 81 MET CE :methyl -163:sc=-0.00901 (180deg=-0.294) USER MOD Set 1.2: A 136 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 32 SER OG : rot 161:sc= 1.12 USER MOD Set 2.2: A 40 TYR OH : rot 117:sc= 0.3 USER MOD Set 2.3: A 42 GLN : amide:sc= 0.281 K(o=2.7,f=1.4) USER MOD Set 2.4: A 75 MET CE :methyl 168:sc= 0 (180deg=-0.033) USER MOD Set 2.5: A 126 ASN : amide:sc= 0.958 K(o=2.7,f=-2.2!) USER MOD Set 3.1: A 46 GLN : amide:sc= -0.0151 X(o=-0.015,f=0.0042) USER MOD Set 3.2: A 48 HIS : no HD1:sc= 0 X(o=-0.015,f=0.0042) USER MOD Single : A 0 GLY N :NH3+ -117:sc= 0.114 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 88:sc= 0.958 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.216 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 CYS SG : rot -68:sc= 0.458 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.0287 K(o=-0.029,f=-0.68) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.225 X(o=-0.23,f=-0.066) USER MOD Single : A 58 TYR OH : rot 1:sc= -0.659 USER MOD Single : A 59 CYS SG : rot 24:sc= -0.0369 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 120:sc= 0.54 USER MOD Single : A 70 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.386) USER MOD Single : A 72 HIS : no HE2:sc= -1.45 K(o=-1.5,f=-3.4!) USER MOD Single : A 73 LYS NZ :NH3+ 165:sc= 1.11 (180deg=0.91) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 MET CE :methyl 172:sc= -0.389 (180deg=-0.475) USER MOD Single : A 99 ASN : amide:sc= -0.543 X(o=-0.54,f=-0.049) USER MOD Single : A 102 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 GLN : amide:sc=-0.00216 X(o=-0.0022,f=-0.084) USER MOD Single : A 115 ASN : amide:sc= -0.73 K(o=-0.73,f=0) USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00601) USER MOD Single : A 131 ASN : amide:sc= -0.102 K(o=-0.1,f=-0.62) USER MOD Single : A 137 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 8 N GLY A 0 0.715 1.939 -2.635 1.00 0.00 N ATOM 9 CA GLY A 0 0.113 2.880 -3.591 1.00 0.00 C ATOM 10 C GLY A 0 -0.085 4.260 -2.957 1.00 0.00 C ATOM 11 O GLY A 0 0.206 4.448 -1.770 1.00 0.00 O ATOM 0 H1 GLY A 0 1.645 1.634 -2.987 1.00 0.00 H new ATOM 0 H2 GLY A 0 0.829 2.406 -1.713 1.00 0.00 H new ATOM 0 H3 GLY A 0 0.097 1.110 -2.528 1.00 0.00 H new ATOM 0 HA2 GLY A 0 0.752 2.969 -4.470 1.00 0.00 H new ATOM 0 HA3 GLY A 0 -0.847 2.492 -3.932 1.00 0.00 H new ATOM 15 N ALA A 1 -0.525 5.242 -3.750 1.00 0.00 N ATOM 16 CA ALA A 1 -0.645 6.641 -3.333 1.00 0.00 C ATOM 17 C ALA A 1 -1.518 7.494 -4.288 1.00 0.00 C ATOM 18 O ALA A 1 -2.023 7.008 -5.304 1.00 0.00 O ATOM 19 CB ALA A 1 0.777 7.180 -3.204 1.00 0.00 C ATOM 0 H ALA A 1 -0.812 5.083 -4.716 1.00 0.00 H new ATOM 0 HA ALA A 1 -1.171 6.701 -2.380 1.00 0.00 H new ATOM 0 HB1 ALA A 1 0.743 8.224 -2.894 1.00 0.00 H new ATOM 0 HB2 ALA A 1 1.321 6.598 -2.460 1.00 0.00 H new ATOM 0 HB3 ALA A 1 1.284 7.103 -4.166 1.00 0.00 H new ATOM 25 N LEU A 2 -1.712 8.767 -3.932 1.00 0.00 N ATOM 26 CA LEU A 2 -2.632 9.724 -4.562 1.00 0.00 C ATOM 27 C LEU A 2 -1.856 10.964 -5.052 1.00 0.00 C ATOM 28 O LEU A 2 -0.821 11.311 -4.479 1.00 0.00 O ATOM 29 CB LEU A 2 -3.691 10.131 -3.514 1.00 0.00 C ATOM 30 CG LEU A 2 -4.536 8.979 -2.938 1.00 0.00 C ATOM 31 CD1 LEU A 2 -5.223 9.366 -1.633 1.00 0.00 C ATOM 32 CD2 LEU A 2 -5.618 8.520 -3.912 1.00 0.00 C ATOM 0 H LEU A 2 -1.203 9.183 -3.152 1.00 0.00 H new ATOM 0 HA LEU A 2 -3.117 9.269 -5.426 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -3.185 10.634 -2.690 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -4.363 10.859 -3.967 1.00 0.00 H new ATOM 0 HG LEU A 2 -3.830 8.169 -2.758 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -5.807 8.522 -1.265 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -4.471 9.637 -0.892 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -5.883 10.216 -1.807 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -6.189 7.707 -3.464 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -6.285 9.353 -4.134 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -5.153 8.172 -4.835 1.00 0.00 H new ATOM 44 N SER A 3 -2.331 11.633 -6.110 1.00 0.00 N ATOM 45 CA SER A 3 -1.659 12.823 -6.675 1.00 0.00 C ATOM 46 C SER A 3 -1.675 14.016 -5.705 1.00 0.00 C ATOM 47 O SER A 3 -2.544 14.077 -4.833 1.00 0.00 O ATOM 48 CB SER A 3 -2.323 13.222 -7.996 1.00 0.00 C ATOM 49 OG SER A 3 -1.545 14.198 -8.664 1.00 0.00 O ATOM 0 H SER A 3 -3.186 11.371 -6.600 1.00 0.00 H new ATOM 0 HA SER A 3 -0.617 12.554 -6.849 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.440 12.344 -8.631 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.322 13.613 -7.805 1.00 0.00 H new ATOM 0 HG SER A 3 -1.980 14.442 -9.507 1.00 0.00 H new ATOM 55 N TYR A 4 -0.785 15.000 -5.883 1.00 0.00 N ATOM 56 CA TYR A 4 -0.687 16.201 -5.032 1.00 0.00 C ATOM 57 C TYR A 4 -2.035 16.908 -4.837 1.00 0.00 C ATOM 58 O TYR A 4 -2.401 17.258 -3.716 1.00 0.00 O ATOM 59 CB TYR A 4 0.329 17.183 -5.640 1.00 0.00 C ATOM 60 CG TYR A 4 0.478 18.480 -4.858 1.00 0.00 C ATOM 61 CD1 TYR A 4 -0.373 19.571 -5.130 1.00 0.00 C ATOM 62 CD2 TYR A 4 1.446 18.588 -3.842 1.00 0.00 C ATOM 63 CE1 TYR A 4 -0.278 20.754 -4.371 1.00 0.00 C ATOM 64 CE2 TYR A 4 1.544 19.766 -3.076 1.00 0.00 C ATOM 65 CZ TYR A 4 0.680 20.851 -3.337 1.00 0.00 C ATOM 66 OH TYR A 4 0.778 21.991 -2.600 1.00 0.00 O ATOM 0 H TYR A 4 -0.098 14.987 -6.636 1.00 0.00 H new ATOM 0 HA TYR A 4 -0.356 15.869 -4.048 1.00 0.00 H new ATOM 0 HB2 TYR A 4 1.301 16.693 -5.701 1.00 0.00 H new ATOM 0 HB3 TYR A 4 0.026 17.418 -6.660 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -1.101 19.499 -5.924 1.00 0.00 H new ATOM 0 HD2 TYR A 4 2.117 17.764 -3.649 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -0.936 21.585 -4.579 1.00 0.00 H new ATOM 0 HE2 TYR A 4 2.280 19.839 -2.289 1.00 0.00 H new ATOM 0 HH TYR A 4 1.487 21.888 -1.931 1.00 0.00 H new ATOM 76 N GLU A 5 -2.796 17.073 -5.927 1.00 0.00 N ATOM 77 CA GLU A 5 -4.098 17.766 -5.959 1.00 0.00 C ATOM 78 C GLU A 5 -5.195 17.082 -5.129 1.00 0.00 C ATOM 79 O GLU A 5 -6.274 17.642 -4.931 1.00 0.00 O ATOM 80 CB GLU A 5 -4.595 17.883 -7.410 1.00 0.00 C ATOM 81 CG GLU A 5 -3.568 18.544 -8.329 1.00 0.00 C ATOM 82 CD GLU A 5 -4.204 18.950 -9.671 1.00 0.00 C ATOM 83 OE1 GLU A 5 -4.442 18.065 -10.529 1.00 0.00 O ATOM 84 OE2 GLU A 5 -4.472 20.159 -9.881 1.00 0.00 O ATOM 0 H GLU A 5 -2.517 16.718 -6.842 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.918 18.745 -5.514 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -4.832 16.890 -7.791 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -5.519 18.460 -7.429 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -3.151 19.424 -7.840 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -2.741 17.857 -8.508 1.00 0.00 H new ATOM 91 N THR A 6 -4.935 15.857 -4.669 1.00 0.00 N ATOM 92 CA THR A 6 -5.847 15.045 -3.855 1.00 0.00 C ATOM 93 C THR A 6 -6.066 15.662 -2.474 1.00 0.00 C ATOM 94 O THR A 6 -5.275 15.461 -1.551 1.00 0.00 O ATOM 95 CB THR A 6 -5.362 13.594 -3.720 1.00 0.00 C ATOM 96 OG1 THR A 6 -5.095 13.074 -5.002 1.00 0.00 O ATOM 97 CG2 THR A 6 -6.385 12.694 -3.019 1.00 0.00 C ATOM 0 H THR A 6 -4.052 15.384 -4.859 1.00 0.00 H new ATOM 0 HA THR A 6 -6.802 15.030 -4.380 1.00 0.00 H new ATOM 0 HB THR A 6 -4.461 13.607 -3.107 1.00 0.00 H new ATOM 0 HG1 THR A 6 -4.168 13.273 -5.249 1.00 0.00 H new ATOM 0 HG21 THR A 6 -5.991 11.680 -2.950 1.00 0.00 H new ATOM 0 HG22 THR A 6 -6.580 13.076 -2.017 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.313 12.685 -3.590 1.00 0.00 H new ATOM 105 N GLU A 7 -7.136 16.443 -2.331 1.00 0.00 N ATOM 106 CA GLU A 7 -7.477 17.082 -1.059 1.00 0.00 C ATOM 107 C GLU A 7 -8.033 16.075 -0.041 1.00 0.00 C ATOM 108 O GLU A 7 -8.905 15.258 -0.357 1.00 0.00 O ATOM 109 CB GLU A 7 -8.467 18.239 -1.255 1.00 0.00 C ATOM 110 CG GLU A 7 -8.040 19.205 -2.368 1.00 0.00 C ATOM 111 CD GLU A 7 -8.825 20.528 -2.307 1.00 0.00 C ATOM 112 OE1 GLU A 7 -10.063 20.515 -2.516 1.00 0.00 O ATOM 113 OE2 GLU A 7 -8.206 21.595 -2.076 1.00 0.00 O ATOM 0 H GLU A 7 -7.788 16.650 -3.088 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.548 17.488 -0.658 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.451 17.833 -1.490 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.565 18.790 -0.320 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -6.973 19.411 -2.282 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -8.196 18.734 -3.338 1.00 0.00 H new ATOM 120 N ILE A 8 -7.562 16.187 1.200 1.00 0.00 N ATOM 121 CA ILE A 8 -7.956 15.369 2.350 1.00 0.00 C ATOM 122 C ILE A 8 -8.581 16.304 3.383 1.00 0.00 C ATOM 123 O ILE A 8 -7.956 17.281 3.798 1.00 0.00 O ATOM 124 CB ILE A 8 -6.731 14.636 2.951 1.00 0.00 C ATOM 125 CG1 ILE A 8 -5.924 13.844 1.903 1.00 0.00 C ATOM 126 CG2 ILE A 8 -7.132 13.708 4.113 1.00 0.00 C ATOM 127 CD1 ILE A 8 -6.725 12.827 1.076 1.00 0.00 C ATOM 0 H ILE A 8 -6.860 16.885 1.445 1.00 0.00 H new ATOM 0 HA ILE A 8 -8.669 14.604 2.043 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.084 15.424 3.335 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.456 14.553 1.220 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -5.119 13.316 2.414 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -6.244 13.213 4.506 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.600 14.295 4.903 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -7.836 12.958 3.753 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -6.061 12.327 0.371 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -7.171 12.087 1.741 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -7.513 13.344 0.528 1.00 0.00 H new ATOM 139 N LEU A 9 -9.827 16.026 3.769 1.00 0.00 N ATOM 140 CA LEU A 9 -10.515 16.734 4.847 1.00 0.00 C ATOM 141 C LEU A 9 -9.812 16.486 6.198 1.00 0.00 C ATOM 142 O LEU A 9 -9.673 15.338 6.629 1.00 0.00 O ATOM 143 CB LEU A 9 -11.982 16.262 4.872 1.00 0.00 C ATOM 144 CG LEU A 9 -12.889 17.086 5.803 1.00 0.00 C ATOM 145 CD1 LEU A 9 -13.254 18.442 5.191 1.00 0.00 C ATOM 146 CD2 LEU A 9 -14.189 16.330 6.067 1.00 0.00 C ATOM 0 H LEU A 9 -10.392 15.295 3.337 1.00 0.00 H new ATOM 0 HA LEU A 9 -10.486 17.810 4.673 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -12.384 16.304 3.860 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -12.012 15.218 5.183 1.00 0.00 H new ATOM 0 HG LEU A 9 -12.333 17.247 6.727 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -13.895 18.992 5.880 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -12.345 19.014 5.006 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -13.782 18.286 4.250 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -14.825 16.920 6.727 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -14.707 16.156 5.124 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -13.964 15.374 6.539 1.00 0.00 H new ATOM 158 N THR A 10 -9.422 17.562 6.886 1.00 0.00 N ATOM 159 CA THR A 10 -8.775 17.522 8.207 1.00 0.00 C ATOM 160 C THR A 10 -9.506 18.385 9.238 1.00 0.00 C ATOM 161 O THR A 10 -10.215 19.334 8.893 1.00 0.00 O ATOM 162 CB THR A 10 -7.291 17.948 8.152 1.00 0.00 C ATOM 163 OG1 THR A 10 -7.160 19.305 7.786 1.00 0.00 O ATOM 164 CG2 THR A 10 -6.441 17.093 7.207 1.00 0.00 C ATOM 0 H THR A 10 -9.549 18.511 6.534 1.00 0.00 H new ATOM 0 HA THR A 10 -8.827 16.479 8.519 1.00 0.00 H new ATOM 0 HB THR A 10 -6.915 17.795 9.163 1.00 0.00 H new ATOM 0 HG1 THR A 10 -6.211 19.547 7.761 1.00 0.00 H new ATOM 0 HG21 THR A 10 -5.411 17.450 7.220 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.469 16.053 7.533 1.00 0.00 H new ATOM 0 HG23 THR A 10 -6.838 17.166 6.194 1.00 0.00 H new ATOM 172 N VAL A 11 -9.334 18.060 10.523 1.00 0.00 N ATOM 173 CA VAL A 11 -9.890 18.858 11.640 1.00 0.00 C ATOM 174 C VAL A 11 -9.027 20.090 11.942 1.00 0.00 C ATOM 175 O VAL A 11 -9.551 21.135 12.330 1.00 0.00 O ATOM 176 CB VAL A 11 -10.063 17.998 12.911 1.00 0.00 C ATOM 177 CG1 VAL A 11 -10.665 18.768 14.093 1.00 0.00 C ATOM 178 CG2 VAL A 11 -10.980 16.798 12.648 1.00 0.00 C ATOM 0 H VAL A 11 -8.808 17.240 10.826 1.00 0.00 H new ATOM 0 HA VAL A 11 -10.873 19.206 11.324 1.00 0.00 H new ATOM 0 HB VAL A 11 -9.053 17.680 13.168 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -10.758 18.103 14.951 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -10.015 19.604 14.351 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -11.650 19.145 13.818 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -11.083 16.212 13.561 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -11.961 17.152 12.332 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -10.549 16.176 11.864 1.00 0.00 H new ATOM 188 N GLU A 12 -7.712 19.994 11.725 1.00 0.00 N ATOM 189 CA GLU A 12 -6.773 21.106 11.941 1.00 0.00 C ATOM 190 C GLU A 12 -7.027 22.311 11.023 1.00 0.00 C ATOM 191 O GLU A 12 -6.858 23.451 11.467 1.00 0.00 O ATOM 192 CB GLU A 12 -5.330 20.611 11.745 1.00 0.00 C ATOM 193 CG GLU A 12 -4.702 20.055 13.027 1.00 0.00 C ATOM 194 CD GLU A 12 -4.535 21.138 14.113 1.00 0.00 C ATOM 195 OE1 GLU A 12 -3.641 22.010 13.984 1.00 0.00 O ATOM 196 OE2 GLU A 12 -5.294 21.122 15.113 1.00 0.00 O ATOM 0 H GLU A 12 -7.264 19.140 11.393 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.931 21.450 12.963 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.320 19.837 10.978 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -4.718 21.434 11.376 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.325 19.248 13.414 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -3.729 19.623 12.795 1.00 0.00 H new ATOM 203 N TYR A 13 -7.459 22.077 9.775 1.00 0.00 N ATOM 204 CA TYR A 13 -7.650 23.140 8.777 1.00 0.00 C ATOM 205 C TYR A 13 -8.890 22.951 7.889 1.00 0.00 C ATOM 206 O TYR A 13 -9.678 23.892 7.748 1.00 0.00 O ATOM 207 CB TYR A 13 -6.396 23.238 7.891 1.00 0.00 C ATOM 208 CG TYR A 13 -5.119 23.651 8.603 1.00 0.00 C ATOM 209 CD1 TYR A 13 -5.031 24.922 9.207 1.00 0.00 C ATOM 210 CD2 TYR A 13 -4.011 22.777 8.650 1.00 0.00 C ATOM 211 CE1 TYR A 13 -3.854 25.314 9.870 1.00 0.00 C ATOM 212 CE2 TYR A 13 -2.825 23.172 9.299 1.00 0.00 C ATOM 213 CZ TYR A 13 -2.746 24.440 9.915 1.00 0.00 C ATOM 214 OH TYR A 13 -1.601 24.815 10.548 1.00 0.00 O ATOM 0 H TYR A 13 -7.686 21.145 9.429 1.00 0.00 H new ATOM 0 HA TYR A 13 -7.813 24.061 9.336 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -6.230 22.270 7.419 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -6.593 23.953 7.092 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -5.872 25.598 9.160 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -4.073 21.803 8.187 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -3.798 26.283 10.344 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.976 22.505 9.325 1.00 0.00 H new ATOM 0 HH TYR A 13 -0.941 24.094 10.484 1.00 0.00 H new ATOM 224 N GLY A 14 -9.070 21.774 7.280 1.00 0.00 N ATOM 225 CA GLY A 14 -10.122 21.523 6.289 1.00 0.00 C ATOM 226 C GLY A 14 -9.595 20.753 5.079 1.00 0.00 C ATOM 227 O GLY A 14 -8.734 19.888 5.214 1.00 0.00 O ATOM 0 H GLY A 14 -8.483 20.960 7.463 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.931 20.959 6.754 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -10.544 22.472 5.959 1.00 0.00 H new ATOM 231 N LEU A 15 -10.124 21.051 3.893 1.00 0.00 N ATOM 232 CA LEU A 15 -9.677 20.475 2.621 1.00 0.00 C ATOM 233 C LEU A 15 -8.287 21.015 2.225 1.00 0.00 C ATOM 234 O LEU A 15 -8.165 22.171 1.808 1.00 0.00 O ATOM 235 CB LEU A 15 -10.728 20.802 1.539 1.00 0.00 C ATOM 236 CG LEU A 15 -12.124 20.200 1.792 1.00 0.00 C ATOM 237 CD1 LEU A 15 -13.096 20.652 0.703 1.00 0.00 C ATOM 238 CD2 LEU A 15 -12.073 18.674 1.805 1.00 0.00 C ATOM 0 H LEU A 15 -10.892 21.714 3.785 1.00 0.00 H new ATOM 0 HA LEU A 15 -9.581 19.394 2.723 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -10.823 21.885 1.461 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -10.362 20.444 0.577 1.00 0.00 H new ATOM 0 HG LEU A 15 -12.464 20.551 2.766 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -14.079 20.221 0.891 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -13.169 21.740 0.709 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -12.734 20.318 -0.269 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -13.072 18.278 1.986 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -11.708 18.314 0.843 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -11.402 18.339 2.596 1.00 0.00 H new ATOM 250 N LEU A 16 -7.244 20.182 2.339 1.00 0.00 N ATOM 251 CA LEU A 16 -5.863 20.504 1.939 1.00 0.00 C ATOM 252 C LEU A 16 -5.199 19.372 1.126 1.00 0.00 C ATOM 253 O LEU A 16 -5.512 18.201 1.352 1.00 0.00 O ATOM 254 CB LEU A 16 -5.022 20.790 3.199 1.00 0.00 C ATOM 255 CG LEU A 16 -5.274 22.155 3.862 1.00 0.00 C ATOM 256 CD1 LEU A 16 -4.389 22.247 5.102 1.00 0.00 C ATOM 257 CD2 LEU A 16 -4.919 23.329 2.946 1.00 0.00 C ATOM 0 H LEU A 16 -7.337 19.241 2.721 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.907 21.382 1.295 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.218 20.007 3.932 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.967 20.722 2.934 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.336 22.220 4.098 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.548 23.207 5.592 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.643 21.441 5.791 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.343 22.158 4.810 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.116 24.267 3.464 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.863 23.276 2.680 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.524 23.280 2.041 1.00 0.00 H new ATOM 269 N PRO A 17 -4.272 19.694 0.199 1.00 0.00 N ATOM 270 CA PRO A 17 -3.607 18.719 -0.670 1.00 0.00 C ATOM 271 C PRO A 17 -2.726 17.742 0.122 1.00 0.00 C ATOM 272 O PRO A 17 -1.846 18.161 0.881 1.00 0.00 O ATOM 273 CB PRO A 17 -2.785 19.551 -1.663 1.00 0.00 C ATOM 274 CG PRO A 17 -2.538 20.870 -0.940 1.00 0.00 C ATOM 275 CD PRO A 17 -3.798 21.042 -0.101 1.00 0.00 C ATOM 0 HA PRO A 17 -4.333 18.087 -1.181 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -1.848 19.055 -1.916 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.327 19.705 -2.596 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -1.643 20.829 -0.320 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -2.403 21.695 -1.640 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -3.584 21.593 0.815 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -4.554 21.609 -0.645 1.00 0.00 H new ATOM 283 N ILE A 18 -2.916 16.434 -0.095 1.00 0.00 N ATOM 284 CA ILE A 18 -2.127 15.372 0.554 1.00 0.00 C ATOM 285 C ILE A 18 -0.619 15.545 0.349 1.00 0.00 C ATOM 286 O ILE A 18 0.156 15.304 1.274 1.00 0.00 O ATOM 287 CB ILE A 18 -2.594 13.968 0.104 1.00 0.00 C ATOM 288 CG1 ILE A 18 -1.990 12.891 1.031 1.00 0.00 C ATOM 289 CG2 ILE A 18 -2.289 13.681 -1.377 1.00 0.00 C ATOM 290 CD1 ILE A 18 -2.680 11.527 0.913 1.00 0.00 C ATOM 0 H ILE A 18 -3.628 16.077 -0.732 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.309 15.464 1.625 1.00 0.00 H new ATOM 0 HB ILE A 18 -3.680 13.939 0.190 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -0.931 12.775 0.799 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.054 13.234 2.064 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.640 12.681 -1.634 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -2.797 14.415 -2.002 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -1.214 13.743 -1.546 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -2.205 10.819 1.592 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -3.734 11.628 1.174 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -2.593 11.163 -0.111 1.00 0.00 H new ATOM 302 N GLY A 19 -0.193 16.021 -0.825 1.00 0.00 N ATOM 303 CA GLY A 19 1.224 16.180 -1.120 1.00 0.00 C ATOM 304 C GLY A 19 1.904 17.219 -0.235 1.00 0.00 C ATOM 305 O GLY A 19 3.025 16.991 0.205 1.00 0.00 O ATOM 0 H GLY A 19 -0.814 16.302 -1.584 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.725 15.220 -0.995 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.342 16.468 -2.165 1.00 0.00 H new ATOM 309 N LYS A 20 1.213 18.307 0.130 1.00 0.00 N ATOM 310 CA LYS A 20 1.750 19.317 1.055 1.00 0.00 C ATOM 311 C LYS A 20 1.836 18.785 2.488 1.00 0.00 C ATOM 312 O LYS A 20 2.779 19.104 3.209 1.00 0.00 O ATOM 313 CB LYS A 20 0.883 20.585 0.972 1.00 0.00 C ATOM 314 CG LYS A 20 1.598 21.823 1.541 1.00 0.00 C ATOM 315 CD LYS A 20 0.762 23.100 1.352 1.00 0.00 C ATOM 316 CE LYS A 20 -0.408 23.220 2.342 1.00 0.00 C ATOM 317 NZ LYS A 20 0.025 23.784 3.653 1.00 0.00 N ATOM 0 H LYS A 20 0.272 18.512 -0.205 1.00 0.00 H new ATOM 0 HA LYS A 20 2.770 19.562 0.759 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.614 20.770 -0.068 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.046 20.423 1.518 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.797 21.672 2.602 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.563 21.944 1.049 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.411 23.969 1.462 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.370 23.121 0.335 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.183 23.855 1.912 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.852 22.237 2.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.794 23.848 4.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.746 23.165 4.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.425 24.733 3.508 1.00 0.00 H new ATOM 331 N ILE A 21 0.891 17.929 2.883 1.00 0.00 N ATOM 332 CA ILE A 21 0.856 17.297 4.208 1.00 0.00 C ATOM 333 C ILE A 21 1.996 16.289 4.341 1.00 0.00 C ATOM 334 O ILE A 21 2.631 16.231 5.386 1.00 0.00 O ATOM 335 CB ILE A 21 -0.528 16.661 4.492 1.00 0.00 C ATOM 336 CG1 ILE A 21 -1.634 17.745 4.532 1.00 0.00 C ATOM 337 CG2 ILE A 21 -0.531 15.843 5.796 1.00 0.00 C ATOM 338 CD1 ILE A 21 -3.058 17.200 4.349 1.00 0.00 C ATOM 0 H ILE A 21 0.115 17.650 2.283 1.00 0.00 H new ATOM 0 HA ILE A 21 1.004 18.065 4.967 1.00 0.00 H new ATOM 0 HB ILE A 21 -0.739 15.973 3.673 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -1.578 18.270 5.486 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -1.435 18.480 3.752 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -1.521 15.416 5.955 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.203 15.041 5.724 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.277 16.493 6.634 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -3.771 18.024 4.390 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -3.135 16.701 3.383 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -3.280 16.488 5.144 1.00 0.00 H new ATOM 350 N VAL A 22 2.305 15.538 3.283 1.00 0.00 N ATOM 351 CA VAL A 22 3.355 14.508 3.283 1.00 0.00 C ATOM 352 C VAL A 22 4.758 15.076 3.024 1.00 0.00 C ATOM 353 O VAL A 22 5.715 14.642 3.665 1.00 0.00 O ATOM 354 CB VAL A 22 2.986 13.418 2.263 1.00 0.00 C ATOM 355 CG1 VAL A 22 4.100 12.389 2.046 1.00 0.00 C ATOM 356 CG2 VAL A 22 1.718 12.679 2.729 1.00 0.00 C ATOM 0 H VAL A 22 1.828 15.627 2.386 1.00 0.00 H new ATOM 0 HA VAL A 22 3.403 14.074 4.282 1.00 0.00 H new ATOM 0 HB VAL A 22 2.821 13.928 1.314 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.774 11.649 1.315 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.994 12.893 1.679 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.325 11.892 2.990 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.459 11.907 2.004 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.901 12.218 3.700 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.894 13.388 2.814 1.00 0.00 H new ATOM 366 N GLU A 23 4.896 16.084 2.158 1.00 0.00 N ATOM 367 CA GLU A 23 6.178 16.768 1.900 1.00 0.00 C ATOM 368 C GLU A 23 6.679 17.564 3.114 1.00 0.00 C ATOM 369 O GLU A 23 7.891 17.750 3.269 1.00 0.00 O ATOM 370 CB GLU A 23 6.061 17.721 0.696 1.00 0.00 C ATOM 371 CG GLU A 23 6.037 16.999 -0.657 1.00 0.00 C ATOM 372 CD GLU A 23 7.458 16.624 -1.119 1.00 0.00 C ATOM 373 OE1 GLU A 23 7.963 15.537 -0.747 1.00 0.00 O ATOM 374 OE2 GLU A 23 8.091 17.427 -1.851 1.00 0.00 O ATOM 0 H GLU A 23 4.120 16.455 1.610 1.00 0.00 H new ATOM 0 HA GLU A 23 6.901 15.981 1.686 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.152 18.313 0.799 1.00 0.00 H new ATOM 0 HB3 GLU A 23 6.899 18.418 0.712 1.00 0.00 H new ATOM 0 HG2 GLU A 23 5.428 16.098 -0.580 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.567 17.638 -1.404 1.00 0.00 H new ATOM 381 N LYS A 24 5.758 18.006 3.987 1.00 0.00 N ATOM 382 CA LYS A 24 6.057 18.823 5.182 1.00 0.00 C ATOM 383 C LYS A 24 5.732 18.113 6.506 1.00 0.00 C ATOM 384 O LYS A 24 5.935 18.692 7.575 1.00 0.00 O ATOM 385 CB LYS A 24 5.338 20.181 5.084 1.00 0.00 C ATOM 386 CG LYS A 24 5.587 20.973 3.790 1.00 0.00 C ATOM 387 CD LYS A 24 7.062 21.349 3.588 1.00 0.00 C ATOM 388 CE LYS A 24 7.206 22.294 2.388 1.00 0.00 C ATOM 389 NZ LYS A 24 8.619 22.706 2.186 1.00 0.00 N ATOM 0 H LYS A 24 4.764 17.803 3.882 1.00 0.00 H new ATOM 0 HA LYS A 24 7.135 18.985 5.195 1.00 0.00 H new ATOM 0 HB2 LYS A 24 4.266 20.012 5.185 1.00 0.00 H new ATOM 0 HB3 LYS A 24 5.645 20.796 5.930 1.00 0.00 H new ATOM 0 HG2 LYS A 24 5.249 20.382 2.939 1.00 0.00 H new ATOM 0 HG3 LYS A 24 4.985 21.882 3.806 1.00 0.00 H new ATOM 0 HD2 LYS A 24 7.449 21.829 4.487 1.00 0.00 H new ATOM 0 HD3 LYS A 24 7.656 20.449 3.426 1.00 0.00 H new ATOM 0 HE2 LYS A 24 6.838 21.800 1.489 1.00 0.00 H new ATOM 0 HE3 LYS A 24 6.587 23.178 2.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 8.681 23.344 1.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 8.962 23.198 3.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 9.205 21.864 2.014 1.00 0.00 H new ATOM 403 N ARG A 25 5.258 16.860 6.434 1.00 0.00 N ATOM 404 CA ARG A 25 4.834 16.000 7.559 1.00 0.00 C ATOM 405 C ARG A 25 3.915 16.735 8.546 1.00 0.00 C ATOM 406 O ARG A 25 4.211 16.846 9.741 1.00 0.00 O ATOM 407 CB ARG A 25 6.058 15.358 8.231 1.00 0.00 C ATOM 408 CG ARG A 25 6.921 14.507 7.278 1.00 0.00 C ATOM 409 CD ARG A 25 8.372 15.010 7.282 1.00 0.00 C ATOM 410 NE ARG A 25 9.318 14.008 6.757 1.00 0.00 N ATOM 411 CZ ARG A 25 10.636 14.115 6.763 1.00 0.00 C ATOM 412 NH1 ARG A 25 11.242 15.209 7.136 1.00 0.00 N ATOM 413 NH2 ARG A 25 11.384 13.112 6.399 1.00 0.00 N ATOM 0 H ARG A 25 5.152 16.388 5.536 1.00 0.00 H new ATOM 0 HA ARG A 25 4.224 15.191 7.158 1.00 0.00 H new ATOM 0 HB2 ARG A 25 6.678 16.145 8.661 1.00 0.00 H new ATOM 0 HB3 ARG A 25 5.720 14.731 9.056 1.00 0.00 H new ATOM 0 HG2 ARG A 25 6.890 13.461 7.584 1.00 0.00 H new ATOM 0 HG3 ARG A 25 6.515 14.555 6.268 1.00 0.00 H new ATOM 0 HD2 ARG A 25 8.440 15.918 6.683 1.00 0.00 H new ATOM 0 HD3 ARG A 25 8.658 15.277 8.299 1.00 0.00 H new ATOM 0 HE ARG A 25 8.921 13.159 6.354 1.00 0.00 H new ATOM 0 HH11 ARG A 25 10.697 16.017 7.436 1.00 0.00 H new ATOM 0 HH12 ARG A 25 12.261 15.256 7.128 1.00 0.00 H new ATOM 0 HH21 ARG A 25 10.954 12.235 6.106 1.00 0.00 H new ATOM 0 HH22 ARG A 25 12.400 13.204 6.407 1.00 0.00 H new ATOM 427 N ILE A 26 2.839 17.329 8.020 1.00 0.00 N ATOM 428 CA ILE A 26 1.932 18.191 8.789 1.00 0.00 C ATOM 429 C ILE A 26 1.101 17.328 9.743 1.00 0.00 C ATOM 430 O ILE A 26 0.306 16.486 9.319 1.00 0.00 O ATOM 431 CB ILE A 26 1.051 19.074 7.873 1.00 0.00 C ATOM 432 CG1 ILE A 26 1.940 19.866 6.885 1.00 0.00 C ATOM 433 CG2 ILE A 26 0.196 20.029 8.727 1.00 0.00 C ATOM 434 CD1 ILE A 26 1.173 20.748 5.897 1.00 0.00 C ATOM 0 H ILE A 26 2.570 17.225 7.042 1.00 0.00 H new ATOM 0 HA ILE A 26 2.526 18.888 9.381 1.00 0.00 H new ATOM 0 HB ILE A 26 0.382 18.436 7.296 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.623 20.494 7.456 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.551 19.160 6.322 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.421 20.647 8.075 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.445 19.449 9.390 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.849 20.668 9.321 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.879 21.264 5.246 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.510 20.128 5.294 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.583 21.482 6.446 1.00 0.00 H new ATOM 446 N GLU A 27 1.304 17.528 11.044 1.00 0.00 N ATOM 447 CA GLU A 27 0.552 16.862 12.113 1.00 0.00 C ATOM 448 C GLU A 27 -0.902 17.347 12.121 1.00 0.00 C ATOM 449 O GLU A 27 -1.191 18.492 12.482 1.00 0.00 O ATOM 450 CB GLU A 27 1.225 17.081 13.477 1.00 0.00 C ATOM 451 CG GLU A 27 2.465 16.188 13.632 1.00 0.00 C ATOM 452 CD GLU A 27 3.201 16.428 14.966 1.00 0.00 C ATOM 453 OE1 GLU A 27 2.547 16.472 16.038 1.00 0.00 O ATOM 454 OE2 GLU A 27 4.450 16.548 14.961 1.00 0.00 O ATOM 0 H GLU A 27 2.012 18.172 11.395 1.00 0.00 H new ATOM 0 HA GLU A 27 0.550 15.789 11.920 1.00 0.00 H new ATOM 0 HB2 GLU A 27 1.512 18.128 13.581 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.515 16.864 14.275 1.00 0.00 H new ATOM 0 HG2 GLU A 27 2.166 15.142 13.569 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.149 16.375 12.804 1.00 0.00 H new ATOM 461 N CYS A 28 -1.814 16.469 11.700 1.00 0.00 N ATOM 462 CA CYS A 28 -3.238 16.758 11.571 1.00 0.00 C ATOM 463 C CYS A 28 -4.118 15.530 11.859 1.00 0.00 C ATOM 464 O CYS A 28 -3.651 14.392 11.961 1.00 0.00 O ATOM 465 CB CYS A 28 -3.507 17.360 10.175 1.00 0.00 C ATOM 466 SG CYS A 28 -2.946 16.258 8.839 1.00 0.00 S ATOM 0 H CYS A 28 -1.574 15.514 11.433 1.00 0.00 H new ATOM 0 HA CYS A 28 -3.515 17.490 12.329 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -4.574 17.553 10.062 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -2.999 18.321 10.090 1.00 0.00 H new ATOM 0 HG CYS A 28 -1.648 16.183 8.855 1.00 0.00 H new ATOM 472 N THR A 29 -5.417 15.791 11.999 1.00 0.00 N ATOM 473 CA THR A 29 -6.474 14.791 12.222 1.00 0.00 C ATOM 474 C THR A 29 -7.237 14.576 10.915 1.00 0.00 C ATOM 475 O THR A 29 -7.408 15.527 10.156 1.00 0.00 O ATOM 476 CB THR A 29 -7.474 15.279 13.292 1.00 0.00 C ATOM 477 OG1 THR A 29 -6.922 16.236 14.175 1.00 0.00 O ATOM 478 CG2 THR A 29 -8.034 14.159 14.160 1.00 0.00 C ATOM 0 H THR A 29 -5.782 16.743 11.959 1.00 0.00 H new ATOM 0 HA THR A 29 -6.009 13.865 12.561 1.00 0.00 H new ATOM 0 HB THR A 29 -8.271 15.724 12.697 1.00 0.00 H new ATOM 0 HG1 THR A 29 -7.600 16.509 14.828 1.00 0.00 H new ATOM 0 HG21 THR A 29 -8.729 14.576 14.889 1.00 0.00 H new ATOM 0 HG22 THR A 29 -8.557 13.438 13.531 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.217 13.660 14.682 1.00 0.00 H new ATOM 486 N VAL A 30 -7.759 13.375 10.676 1.00 0.00 N ATOM 487 CA VAL A 30 -8.497 12.989 9.456 1.00 0.00 C ATOM 488 C VAL A 30 -9.808 12.298 9.815 1.00 0.00 C ATOM 489 O VAL A 30 -9.959 11.814 10.937 1.00 0.00 O ATOM 490 CB VAL A 30 -7.660 12.080 8.529 1.00 0.00 C ATOM 491 CG1 VAL A 30 -6.352 12.765 8.136 1.00 0.00 C ATOM 492 CG2 VAL A 30 -7.349 10.699 9.123 1.00 0.00 C ATOM 0 H VAL A 30 -7.682 12.610 11.346 1.00 0.00 H new ATOM 0 HA VAL A 30 -8.711 13.909 8.912 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.283 11.915 7.650 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.778 12.107 7.483 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.572 13.695 7.612 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.771 12.982 9.033 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.759 10.122 8.412 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.786 10.819 10.049 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.281 10.174 9.331 1.00 0.00 H new ATOM 502 N TYR A 31 -10.740 12.228 8.865 1.00 0.00 N ATOM 503 CA TYR A 31 -12.053 11.607 9.039 1.00 0.00 C ATOM 504 C TYR A 31 -12.065 10.197 8.435 1.00 0.00 C ATOM 505 O TYR A 31 -11.312 9.915 7.502 1.00 0.00 O ATOM 506 CB TYR A 31 -13.136 12.478 8.383 1.00 0.00 C ATOM 507 CG TYR A 31 -13.407 13.823 9.043 1.00 0.00 C ATOM 508 CD1 TYR A 31 -12.507 14.896 8.881 1.00 0.00 C ATOM 509 CD2 TYR A 31 -14.594 14.020 9.776 1.00 0.00 C ATOM 510 CE1 TYR A 31 -12.788 16.155 9.446 1.00 0.00 C ATOM 511 CE2 TYR A 31 -14.884 15.274 10.339 1.00 0.00 C ATOM 512 CZ TYR A 31 -13.983 16.346 10.171 1.00 0.00 C ATOM 513 OH TYR A 31 -14.284 17.567 10.698 1.00 0.00 O ATOM 0 H TYR A 31 -10.600 12.611 7.930 1.00 0.00 H new ATOM 0 HA TYR A 31 -12.263 11.525 10.105 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -12.851 12.656 7.346 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -14.067 11.911 8.365 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -11.596 14.751 8.320 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -15.286 13.201 9.906 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -12.091 16.971 9.325 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -15.796 15.417 10.900 1.00 0.00 H new ATOM 0 HH TYR A 31 -15.145 17.519 11.164 1.00 0.00 H new ATOM 523 N SER A 32 -12.921 9.309 8.946 1.00 0.00 N ATOM 524 CA SER A 32 -13.057 7.919 8.489 1.00 0.00 C ATOM 525 C SER A 32 -14.311 7.251 9.080 1.00 0.00 C ATOM 526 O SER A 32 -14.708 7.565 10.195 1.00 0.00 O ATOM 527 CB SER A 32 -11.800 7.159 8.932 1.00 0.00 C ATOM 528 OG SER A 32 -11.969 5.763 8.833 1.00 0.00 O ATOM 0 H SER A 32 -13.557 9.540 9.709 1.00 0.00 H new ATOM 0 HA SER A 32 -13.164 7.901 7.404 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.954 7.467 8.318 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.559 7.424 9.962 1.00 0.00 H new ATOM 0 HG SER A 32 -11.091 5.327 8.822 1.00 0.00 H new ATOM 534 N VAL A 33 -14.957 6.339 8.343 1.00 0.00 N ATOM 535 CA VAL A 33 -16.038 5.456 8.836 1.00 0.00 C ATOM 536 C VAL A 33 -15.509 4.309 9.713 1.00 0.00 C ATOM 537 O VAL A 33 -14.595 3.579 9.318 1.00 0.00 O ATOM 538 CB VAL A 33 -16.901 4.923 7.669 1.00 0.00 C ATOM 539 CG1 VAL A 33 -16.079 4.393 6.499 1.00 0.00 C ATOM 540 CG2 VAL A 33 -17.891 3.856 8.098 1.00 0.00 C ATOM 0 H VAL A 33 -14.741 6.185 7.358 1.00 0.00 H new ATOM 0 HA VAL A 33 -16.676 6.066 9.475 1.00 0.00 H new ATOM 0 HB VAL A 33 -17.454 5.800 7.333 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -16.748 4.035 5.717 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -15.452 5.192 6.103 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -15.448 3.572 6.840 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -18.465 3.524 7.233 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -17.352 3.009 8.523 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -18.568 4.268 8.847 1.00 0.00 H new ATOM 550 N ASP A 34 -16.110 4.116 10.895 1.00 0.00 N ATOM 551 CA ASP A 34 -15.848 2.955 11.768 1.00 0.00 C ATOM 552 C ASP A 34 -16.713 1.735 11.374 1.00 0.00 C ATOM 553 O ASP A 34 -17.579 1.809 10.502 1.00 0.00 O ATOM 554 CB ASP A 34 -16.079 3.324 13.253 1.00 0.00 C ATOM 555 CG ASP A 34 -15.050 2.671 14.203 1.00 0.00 C ATOM 556 OD1 ASP A 34 -14.830 1.440 14.119 1.00 0.00 O ATOM 557 OD2 ASP A 34 -14.474 3.378 15.065 1.00 0.00 O ATOM 0 H ASP A 34 -16.798 4.764 11.279 1.00 0.00 H new ATOM 0 HA ASP A 34 -14.803 2.676 11.634 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -16.032 4.407 13.364 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -17.083 3.017 13.546 1.00 0.00 H new ATOM 562 N ASN A 35 -16.553 0.620 12.085 1.00 0.00 N ATOM 563 CA ASN A 35 -17.362 -0.600 11.930 1.00 0.00 C ATOM 564 C ASN A 35 -18.874 -0.364 12.134 1.00 0.00 C ATOM 565 O ASN A 35 -19.703 -1.148 11.667 1.00 0.00 O ATOM 566 CB ASN A 35 -16.848 -1.662 12.922 1.00 0.00 C ATOM 567 CG ASN A 35 -16.915 -3.089 12.383 1.00 0.00 C ATOM 568 OD1 ASN A 35 -16.728 -3.357 11.203 1.00 0.00 O ATOM 569 ND2 ASN A 35 -17.156 -4.063 13.232 1.00 0.00 N ATOM 0 H ASN A 35 -15.838 0.532 12.807 1.00 0.00 H new ATOM 0 HA ASN A 35 -17.249 -0.942 10.901 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -15.816 -1.431 13.186 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -17.433 -1.602 13.840 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -17.186 -5.029 12.905 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -17.313 -3.853 14.218 1.00 0.00 H new ATOM 576 N ASN A 36 -19.226 0.722 12.835 1.00 0.00 N ATOM 577 CA ASN A 36 -20.602 1.134 13.113 1.00 0.00 C ATOM 578 C ASN A 36 -21.257 1.905 11.942 1.00 0.00 C ATOM 579 O ASN A 36 -22.468 2.143 11.961 1.00 0.00 O ATOM 580 CB ASN A 36 -20.602 2.006 14.386 1.00 0.00 C ATOM 581 CG ASN A 36 -19.950 1.324 15.580 1.00 0.00 C ATOM 582 OD1 ASN A 36 -20.402 0.293 16.062 1.00 0.00 O ATOM 583 ND2 ASN A 36 -18.863 1.864 16.088 1.00 0.00 N ATOM 0 H ASN A 36 -18.535 1.357 13.236 1.00 0.00 H new ATOM 0 HA ASN A 36 -21.198 0.233 13.253 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -20.079 2.940 14.179 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -21.630 2.266 14.641 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -18.398 1.424 16.882 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -18.485 2.723 15.688 1.00 0.00 H new ATOM 590 N GLY A 37 -20.466 2.354 10.956 1.00 0.00 N ATOM 591 CA GLY A 37 -20.903 3.217 9.849 1.00 0.00 C ATOM 592 C GLY A 37 -20.950 4.719 10.173 1.00 0.00 C ATOM 593 O GLY A 37 -21.372 5.513 9.329 1.00 0.00 O ATOM 0 H GLY A 37 -19.475 2.119 10.906 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -20.233 3.064 9.003 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -21.896 2.899 9.530 1.00 0.00 H new ATOM 597 N ASN A 38 -20.513 5.122 11.373 1.00 0.00 N ATOM 598 CA ASN A 38 -20.406 6.528 11.773 1.00 0.00 C ATOM 599 C ASN A 38 -19.005 7.058 11.439 1.00 0.00 C ATOM 600 O ASN A 38 -17.996 6.423 11.760 1.00 0.00 O ATOM 601 CB ASN A 38 -20.705 6.669 13.277 1.00 0.00 C ATOM 602 CG ASN A 38 -22.182 6.494 13.592 1.00 0.00 C ATOM 603 OD1 ASN A 38 -22.963 7.437 13.561 1.00 0.00 O ATOM 604 ND2 ASN A 38 -22.619 5.293 13.898 1.00 0.00 N ATOM 0 H ASN A 38 -20.220 4.471 12.102 1.00 0.00 H new ATOM 0 HA ASN A 38 -21.137 7.120 11.222 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -20.128 5.928 13.831 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -20.377 7.650 13.620 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -23.606 5.148 14.109 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -21.971 4.506 13.925 1.00 0.00 H new ATOM 611 N ILE A 39 -18.946 8.228 10.799 1.00 0.00 N ATOM 612 CA ILE A 39 -17.699 8.953 10.555 1.00 0.00 C ATOM 613 C ILE A 39 -17.157 9.501 11.879 1.00 0.00 C ATOM 614 O ILE A 39 -17.830 10.257 12.585 1.00 0.00 O ATOM 615 CB ILE A 39 -17.877 10.081 9.517 1.00 0.00 C ATOM 616 CG1 ILE A 39 -18.669 9.648 8.269 1.00 0.00 C ATOM 617 CG2 ILE A 39 -16.500 10.614 9.086 1.00 0.00 C ATOM 618 CD1 ILE A 39 -18.148 8.389 7.566 1.00 0.00 C ATOM 0 H ILE A 39 -19.771 8.703 10.432 1.00 0.00 H new ATOM 0 HA ILE A 39 -16.976 8.255 10.133 1.00 0.00 H new ATOM 0 HB ILE A 39 -18.459 10.861 10.007 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -19.707 9.480 8.558 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -18.667 10.471 7.554 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -16.631 11.410 8.353 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -15.973 11.005 9.956 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -15.919 9.805 8.643 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -18.774 8.170 6.701 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -17.121 8.554 7.239 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -18.178 7.547 8.258 1.00 0.00 H new ATOM 630 N TYR A 40 -15.919 9.128 12.183 1.00 0.00 N ATOM 631 CA TYR A 40 -15.141 9.590 13.336 1.00 0.00 C ATOM 632 C TYR A 40 -13.844 10.276 12.877 1.00 0.00 C ATOM 633 O TYR A 40 -13.502 10.245 11.691 1.00 0.00 O ATOM 634 CB TYR A 40 -14.865 8.405 14.281 1.00 0.00 C ATOM 635 CG TYR A 40 -13.845 7.400 13.765 1.00 0.00 C ATOM 636 CD1 TYR A 40 -14.245 6.371 12.890 1.00 0.00 C ATOM 637 CD2 TYR A 40 -12.489 7.510 14.139 1.00 0.00 C ATOM 638 CE1 TYR A 40 -13.292 5.490 12.349 1.00 0.00 C ATOM 639 CE2 TYR A 40 -11.537 6.618 13.606 1.00 0.00 C ATOM 640 CZ TYR A 40 -11.935 5.624 12.690 1.00 0.00 C ATOM 641 OH TYR A 40 -11.012 4.803 12.129 1.00 0.00 O ATOM 0 H TYR A 40 -15.402 8.463 11.607 1.00 0.00 H new ATOM 0 HA TYR A 40 -15.715 10.335 13.887 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -14.518 8.795 15.238 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -15.803 7.884 14.471 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -15.288 6.258 12.634 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -12.181 8.277 14.833 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -13.603 4.709 11.671 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -10.501 6.696 13.900 1.00 0.00 H new ATOM 0 HH TYR A 40 -10.381 5.334 11.599 1.00 0.00 H new ATOM 651 N THR A 41 -13.112 10.890 13.812 1.00 0.00 N ATOM 652 CA THR A 41 -11.853 11.606 13.537 1.00 0.00 C ATOM 653 C THR A 41 -10.677 11.035 14.330 1.00 0.00 C ATOM 654 O THR A 41 -10.814 10.710 15.511 1.00 0.00 O ATOM 655 CB THR A 41 -11.978 13.120 13.793 1.00 0.00 C ATOM 656 OG1 THR A 41 -12.619 13.408 15.022 1.00 0.00 O ATOM 657 CG2 THR A 41 -12.772 13.792 12.675 1.00 0.00 C ATOM 0 H THR A 41 -13.378 10.906 14.797 1.00 0.00 H new ATOM 0 HA THR A 41 -11.651 11.456 12.477 1.00 0.00 H new ATOM 0 HB THR A 41 -10.960 13.507 13.827 1.00 0.00 H new ATOM 0 HG1 THR A 41 -12.674 14.379 15.142 1.00 0.00 H new ATOM 0 HG21 THR A 41 -12.849 14.861 12.875 1.00 0.00 H new ATOM 0 HG22 THR A 41 -12.264 13.636 11.723 1.00 0.00 H new ATOM 0 HG23 THR A 41 -13.771 13.359 12.627 1.00 0.00 H new ATOM 665 N GLN A 42 -9.513 10.928 13.681 1.00 0.00 N ATOM 666 CA GLN A 42 -8.307 10.281 14.221 1.00 0.00 C ATOM 667 C GLN A 42 -7.003 10.974 13.777 1.00 0.00 C ATOM 668 O GLN A 42 -6.948 11.499 12.661 1.00 0.00 O ATOM 669 CB GLN A 42 -8.309 8.805 13.788 1.00 0.00 C ATOM 670 CG GLN A 42 -8.172 8.594 12.263 1.00 0.00 C ATOM 671 CD GLN A 42 -8.487 7.170 11.813 1.00 0.00 C ATOM 672 OE1 GLN A 42 -9.240 6.940 10.883 1.00 0.00 O ATOM 673 NE2 GLN A 42 -7.938 6.155 12.448 1.00 0.00 N ATOM 0 H GLN A 42 -9.377 11.298 12.740 1.00 0.00 H new ATOM 0 HA GLN A 42 -8.336 10.363 15.308 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -7.491 8.289 14.290 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -9.235 8.340 14.127 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -8.839 9.285 11.748 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.156 8.846 11.960 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -7.305 6.325 13.229 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -8.146 5.199 12.158 1.00 0.00 H new ATOM 682 N PRO A 43 -5.946 10.994 14.610 1.00 0.00 N ATOM 683 CA PRO A 43 -4.664 11.609 14.261 1.00 0.00 C ATOM 684 C PRO A 43 -3.879 10.790 13.222 1.00 0.00 C ATOM 685 O PRO A 43 -3.961 9.558 13.177 1.00 0.00 O ATOM 686 CB PRO A 43 -3.900 11.709 15.586 1.00 0.00 C ATOM 687 CG PRO A 43 -4.456 10.553 16.414 1.00 0.00 C ATOM 688 CD PRO A 43 -5.913 10.472 15.969 1.00 0.00 C ATOM 0 HA PRO A 43 -4.810 12.582 13.792 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -2.825 11.613 15.436 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -4.069 12.669 16.074 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -3.923 9.623 16.216 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -4.372 10.747 17.483 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -6.274 9.444 16.001 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -6.555 11.057 16.627 1.00 0.00 H new ATOM 696 N VAL A 44 -3.076 11.481 12.406 1.00 0.00 N ATOM 697 CA VAL A 44 -2.085 10.864 11.505 1.00 0.00 C ATOM 698 C VAL A 44 -1.022 10.082 12.300 1.00 0.00 C ATOM 699 O VAL A 44 -0.592 10.522 13.372 1.00 0.00 O ATOM 700 CB VAL A 44 -1.460 11.939 10.587 1.00 0.00 C ATOM 701 CG1 VAL A 44 -0.570 12.952 11.320 1.00 0.00 C ATOM 702 CG2 VAL A 44 -0.649 11.317 9.448 1.00 0.00 C ATOM 0 H VAL A 44 -3.093 12.499 12.349 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.590 10.139 10.867 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.320 12.478 10.188 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.171 13.671 10.604 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.159 13.477 12.072 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.254 12.428 11.805 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.228 12.108 8.827 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.158 10.713 9.863 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.299 10.687 8.841 1.00 0.00 H new ATOM 712 N ALA A 45 -0.583 8.930 11.783 1.00 0.00 N ATOM 713 CA ALA A 45 0.473 8.115 12.394 1.00 0.00 C ATOM 714 C ALA A 45 1.850 8.344 11.742 1.00 0.00 C ATOM 715 O ALA A 45 2.876 8.253 12.422 1.00 0.00 O ATOM 716 CB ALA A 45 0.067 6.638 12.308 1.00 0.00 C ATOM 0 H ALA A 45 -0.954 8.533 10.920 1.00 0.00 H new ATOM 0 HA ALA A 45 0.578 8.416 13.436 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.844 6.020 12.759 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.872 6.487 12.841 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.060 6.356 11.263 1.00 0.00 H new ATOM 722 N GLN A 46 1.875 8.628 10.432 1.00 0.00 N ATOM 723 CA GLN A 46 3.076 8.834 9.608 1.00 0.00 C ATOM 724 C GLN A 46 2.727 9.372 8.206 1.00 0.00 C ATOM 725 O GLN A 46 1.557 9.525 7.861 1.00 0.00 O ATOM 726 CB GLN A 46 3.912 7.546 9.524 1.00 0.00 C ATOM 727 CG GLN A 46 3.151 6.285 9.096 1.00 0.00 C ATOM 728 CD GLN A 46 3.783 5.048 9.725 1.00 0.00 C ATOM 729 OE1 GLN A 46 4.440 4.236 9.083 1.00 0.00 O ATOM 730 NE2 GLN A 46 3.632 4.884 11.024 1.00 0.00 N ATOM 0 H GLN A 46 1.016 8.725 9.891 1.00 0.00 H new ATOM 0 HA GLN A 46 3.682 9.597 10.098 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.729 7.711 8.822 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.362 7.363 10.500 1.00 0.00 H new ATOM 0 HG2 GLN A 46 2.107 6.362 9.398 1.00 0.00 H new ATOM 0 HG3 GLN A 46 3.163 6.196 8.010 1.00 0.00 H new ATOM 0 HE21 GLN A 46 3.086 5.557 11.563 1.00 0.00 H new ATOM 0 HE22 GLN A 46 4.061 4.085 11.490 1.00 0.00 H new ATOM 739 N TRP A 47 3.742 9.611 7.372 1.00 0.00 N ATOM 740 CA TRP A 47 3.608 10.160 6.020 1.00 0.00 C ATOM 741 C TRP A 47 4.512 9.377 5.055 1.00 0.00 C ATOM 742 O TRP A 47 5.725 9.292 5.270 1.00 0.00 O ATOM 743 CB TRP A 47 3.976 11.653 6.040 1.00 0.00 C ATOM 744 CG TRP A 47 3.257 12.515 7.034 1.00 0.00 C ATOM 745 CD1 TRP A 47 2.222 13.343 6.770 1.00 0.00 C ATOM 746 CD2 TRP A 47 3.536 12.673 8.458 1.00 0.00 C ATOM 747 NE1 TRP A 47 1.822 13.985 7.927 1.00 0.00 N ATOM 748 CE2 TRP A 47 2.598 13.602 9.003 1.00 0.00 C ATOM 749 CE3 TRP A 47 4.501 12.138 9.340 1.00 0.00 C ATOM 750 CZ2 TRP A 47 2.614 13.963 10.356 1.00 0.00 C ATOM 751 CZ3 TRP A 47 4.512 12.485 10.704 1.00 0.00 C ATOM 752 CH2 TRP A 47 3.571 13.396 11.214 1.00 0.00 C ATOM 0 H TRP A 47 4.711 9.422 7.627 1.00 0.00 H new ATOM 0 HA TRP A 47 2.579 10.063 5.675 1.00 0.00 H new ATOM 0 HB2 TRP A 47 5.046 11.736 6.230 1.00 0.00 H new ATOM 0 HB3 TRP A 47 3.796 12.060 5.045 1.00 0.00 H new ATOM 0 HD1 TRP A 47 1.773 13.483 5.798 1.00 0.00 H new ATOM 0 HE1 TRP A 47 1.054 14.654 7.979 1.00 0.00 H new ATOM 0 HE3 TRP A 47 5.243 11.451 8.961 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 1.895 14.673 10.737 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 5.248 12.049 11.363 1.00 0.00 H new ATOM 0 HH2 TRP A 47 3.584 13.659 12.261 1.00 0.00 H new ATOM 763 N HIS A 48 3.929 8.802 4.001 1.00 0.00 N ATOM 764 CA HIS A 48 4.628 7.985 3.003 1.00 0.00 C ATOM 765 C HIS A 48 4.718 8.725 1.659 1.00 0.00 C ATOM 766 O HIS A 48 3.707 9.026 1.014 1.00 0.00 O ATOM 767 CB HIS A 48 3.939 6.622 2.806 1.00 0.00 C ATOM 768 CG HIS A 48 3.695 5.829 4.067 1.00 0.00 C ATOM 769 ND1 HIS A 48 4.627 5.102 4.773 1.00 0.00 N ATOM 770 CD2 HIS A 48 2.480 5.621 4.668 1.00 0.00 C ATOM 771 CE1 HIS A 48 3.992 4.466 5.774 1.00 0.00 C ATOM 772 NE2 HIS A 48 2.677 4.752 5.753 1.00 0.00 N ATOM 0 H HIS A 48 2.931 8.893 3.812 1.00 0.00 H new ATOM 0 HA HIS A 48 5.636 7.806 3.378 1.00 0.00 H new ATOM 0 HB2 HIS A 48 2.982 6.786 2.310 1.00 0.00 H new ATOM 0 HB3 HIS A 48 4.548 6.021 2.132 1.00 0.00 H new ATOM 0 HD2 HIS A 48 1.538 6.050 4.361 1.00 0.00 H new ATOM 0 HE1 HIS A 48 4.470 3.817 6.493 1.00 0.00 H new ATOM 0 HE2 HIS A 48 1.965 4.406 6.397 1.00 0.00 H new ATOM 780 N ASP A 49 5.946 8.987 1.218 1.00 0.00 N ATOM 781 CA ASP A 49 6.267 9.638 -0.051 1.00 0.00 C ATOM 782 C ASP A 49 6.906 8.630 -1.008 1.00 0.00 C ATOM 783 O ASP A 49 7.982 8.075 -0.757 1.00 0.00 O ATOM 784 CB ASP A 49 7.154 10.875 0.181 1.00 0.00 C ATOM 785 CG ASP A 49 8.555 10.566 0.749 1.00 0.00 C ATOM 786 OD1 ASP A 49 8.667 10.126 1.922 1.00 0.00 O ATOM 787 OD2 ASP A 49 9.563 10.812 0.041 1.00 0.00 O ATOM 0 H ASP A 49 6.778 8.742 1.755 1.00 0.00 H new ATOM 0 HA ASP A 49 5.349 9.995 -0.517 1.00 0.00 H new ATOM 0 HB2 ASP A 49 7.269 11.405 -0.764 1.00 0.00 H new ATOM 0 HB3 ASP A 49 6.640 11.551 0.865 1.00 0.00 H new ATOM 792 N ARG A 50 6.196 8.346 -2.106 1.00 0.00 N ATOM 793 CA ARG A 50 6.608 7.337 -3.095 1.00 0.00 C ATOM 794 C ARG A 50 7.609 7.897 -4.103 1.00 0.00 C ATOM 795 O ARG A 50 8.440 7.164 -4.635 1.00 0.00 O ATOM 796 CB ARG A 50 5.372 6.822 -3.836 1.00 0.00 C ATOM 797 CG ARG A 50 4.179 6.459 -2.932 1.00 0.00 C ATOM 798 CD ARG A 50 4.546 5.462 -1.832 1.00 0.00 C ATOM 799 NE ARG A 50 3.339 4.857 -1.236 1.00 0.00 N ATOM 800 CZ ARG A 50 3.298 4.063 -0.186 1.00 0.00 C ATOM 801 NH1 ARG A 50 4.375 3.648 0.420 1.00 0.00 N ATOM 802 NH2 ARG A 50 2.149 3.672 0.276 1.00 0.00 N ATOM 0 H ARG A 50 5.317 8.809 -2.336 1.00 0.00 H new ATOM 0 HA ARG A 50 7.098 6.524 -2.559 1.00 0.00 H new ATOM 0 HB2 ARG A 50 5.051 7.581 -4.549 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.653 5.941 -4.413 1.00 0.00 H new ATOM 0 HG2 ARG A 50 3.786 7.368 -2.475 1.00 0.00 H new ATOM 0 HG3 ARG A 50 3.381 6.039 -3.544 1.00 0.00 H new ATOM 0 HD2 ARG A 50 5.183 4.679 -2.245 1.00 0.00 H new ATOM 0 HD3 ARG A 50 5.123 5.967 -1.058 1.00 0.00 H new ATOM 0 HE ARG A 50 2.448 5.076 -1.682 1.00 0.00 H new ATOM 0 HH11 ARG A 50 5.293 3.938 0.084 1.00 0.00 H new ATOM 0 HH12 ARG A 50 4.299 3.033 1.231 1.00 0.00 H new ATOM 0 HH21 ARG A 50 1.287 3.980 -0.174 1.00 0.00 H new ATOM 0 HH22 ARG A 50 2.109 3.057 1.089 1.00 0.00 H new ATOM 816 N GLY A 51 7.497 9.198 -4.381 1.00 0.00 N ATOM 817 CA GLY A 51 8.366 9.954 -5.279 1.00 0.00 C ATOM 818 C GLY A 51 7.868 9.990 -6.723 1.00 0.00 C ATOM 819 O GLY A 51 7.866 11.059 -7.330 1.00 0.00 O ATOM 0 H GLY A 51 6.766 9.776 -3.967 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.457 10.975 -4.909 1.00 0.00 H new ATOM 0 HA3 GLY A 51 9.364 9.517 -5.258 1.00 0.00 H new ATOM 823 N GLU A 52 7.419 8.848 -7.267 1.00 0.00 N ATOM 824 CA GLU A 52 7.084 8.678 -8.693 1.00 0.00 C ATOM 825 C GLU A 52 6.621 7.251 -9.038 1.00 0.00 C ATOM 826 O GLU A 52 7.413 6.325 -9.218 1.00 0.00 O ATOM 827 CB GLU A 52 8.234 9.115 -9.618 1.00 0.00 C ATOM 828 CG GLU A 52 9.598 8.476 -9.334 1.00 0.00 C ATOM 829 CD GLU A 52 10.703 9.118 -10.189 1.00 0.00 C ATOM 830 OE1 GLU A 52 11.302 10.134 -9.756 1.00 0.00 O ATOM 831 OE2 GLU A 52 10.997 8.604 -11.297 1.00 0.00 O ATOM 0 H GLU A 52 7.275 8.000 -6.719 1.00 0.00 H new ATOM 0 HA GLU A 52 6.238 9.341 -8.871 1.00 0.00 H new ATOM 0 HB2 GLU A 52 7.954 8.887 -10.647 1.00 0.00 H new ATOM 0 HB3 GLU A 52 8.340 10.198 -9.549 1.00 0.00 H new ATOM 0 HG2 GLU A 52 9.842 8.587 -8.277 1.00 0.00 H new ATOM 0 HG3 GLU A 52 9.551 7.407 -9.539 1.00 0.00 H new ATOM 838 N GLN A 53 5.308 7.077 -9.148 1.00 0.00 N ATOM 839 CA GLN A 53 4.667 5.833 -9.600 1.00 0.00 C ATOM 840 C GLN A 53 3.641 6.048 -10.722 1.00 0.00 C ATOM 841 O GLN A 53 3.206 7.162 -10.994 1.00 0.00 O ATOM 842 CB GLN A 53 4.028 5.146 -8.392 1.00 0.00 C ATOM 843 CG GLN A 53 5.097 4.908 -7.319 1.00 0.00 C ATOM 844 CD GLN A 53 4.641 4.030 -6.177 1.00 0.00 C ATOM 845 OE1 GLN A 53 5.311 3.094 -5.763 1.00 0.00 O ATOM 846 NE2 GLN A 53 3.557 4.383 -5.528 1.00 0.00 N ATOM 0 H GLN A 53 4.638 7.812 -8.921 1.00 0.00 H new ATOM 0 HA GLN A 53 5.438 5.197 -10.034 1.00 0.00 H new ATOM 0 HB2 GLN A 53 3.225 5.764 -7.991 1.00 0.00 H new ATOM 0 HB3 GLN A 53 3.581 4.198 -8.693 1.00 0.00 H new ATOM 0 HG2 GLN A 53 5.970 4.453 -7.786 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.415 5.871 -6.918 1.00 0.00 H new ATOM 0 HE21 GLN A 53 2.992 5.162 -5.865 1.00 0.00 H new ATOM 0 HE22 GLN A 53 3.280 3.878 -4.686 1.00 0.00 H new ATOM 855 N GLU A 54 3.280 4.952 -11.392 1.00 0.00 N ATOM 856 CA GLU A 54 2.341 4.900 -12.519 1.00 0.00 C ATOM 857 C GLU A 54 0.907 5.333 -12.136 1.00 0.00 C ATOM 858 O GLU A 54 0.141 4.572 -11.542 1.00 0.00 O ATOM 859 CB GLU A 54 2.417 3.509 -13.187 1.00 0.00 C ATOM 860 CG GLU A 54 2.144 2.291 -12.283 1.00 0.00 C ATOM 861 CD GLU A 54 2.526 0.965 -12.971 1.00 0.00 C ATOM 862 OE1 GLU A 54 2.162 0.743 -14.152 1.00 0.00 O ATOM 863 OE2 GLU A 54 3.193 0.117 -12.328 1.00 0.00 O ATOM 0 H GLU A 54 3.651 4.032 -11.154 1.00 0.00 H new ATOM 0 HA GLU A 54 2.643 5.642 -13.258 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.704 3.488 -14.011 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.410 3.394 -13.622 1.00 0.00 H new ATOM 0 HG2 GLU A 54 2.708 2.394 -11.356 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.088 2.269 -12.013 1.00 0.00 H new ATOM 870 N VAL A 55 0.549 6.579 -12.461 1.00 0.00 N ATOM 871 CA VAL A 55 -0.764 7.182 -12.178 1.00 0.00 C ATOM 872 C VAL A 55 -1.736 6.961 -13.338 1.00 0.00 C ATOM 873 O VAL A 55 -1.404 7.167 -14.509 1.00 0.00 O ATOM 874 CB VAL A 55 -0.650 8.693 -11.891 1.00 0.00 C ATOM 875 CG1 VAL A 55 -1.980 9.292 -11.417 1.00 0.00 C ATOM 876 CG2 VAL A 55 0.370 8.967 -10.784 1.00 0.00 C ATOM 0 H VAL A 55 1.181 7.218 -12.943 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.149 6.686 -11.287 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.345 9.149 -12.833 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.852 10.358 -11.227 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.738 9.149 -12.187 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.296 8.795 -10.500 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.430 10.040 -10.602 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.060 8.461 -9.870 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.348 8.596 -11.090 1.00 0.00 H new ATOM 886 N PHE A 56 -2.975 6.618 -12.996 1.00 0.00 N ATOM 887 CA PHE A 56 -4.080 6.407 -13.923 1.00 0.00 C ATOM 888 C PHE A 56 -5.220 7.376 -13.586 1.00 0.00 C ATOM 889 O PHE A 56 -5.558 7.601 -12.421 1.00 0.00 O ATOM 890 CB PHE A 56 -4.532 4.940 -13.854 1.00 0.00 C ATOM 891 CG PHE A 56 -3.545 3.961 -14.467 1.00 0.00 C ATOM 892 CD1 PHE A 56 -2.341 3.647 -13.806 1.00 0.00 C ATOM 893 CD2 PHE A 56 -3.822 3.366 -15.712 1.00 0.00 C ATOM 894 CE1 PHE A 56 -1.408 2.783 -14.403 1.00 0.00 C ATOM 895 CE2 PHE A 56 -2.906 2.469 -16.291 1.00 0.00 C ATOM 896 CZ PHE A 56 -1.687 2.195 -15.646 1.00 0.00 C ATOM 0 H PHE A 56 -3.247 6.474 -12.023 1.00 0.00 H new ATOM 0 HA PHE A 56 -3.763 6.609 -14.946 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -4.696 4.670 -12.811 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -5.490 4.841 -14.364 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.134 4.073 -12.835 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.743 3.599 -16.226 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.474 2.571 -13.904 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -3.139 1.991 -17.231 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.968 1.534 -16.106 1.00 0.00 H new ATOM 906 N GLU A 57 -5.802 7.972 -14.623 1.00 0.00 N ATOM 907 CA GLU A 57 -6.993 8.805 -14.517 1.00 0.00 C ATOM 908 C GLU A 57 -8.178 7.972 -14.014 1.00 0.00 C ATOM 909 O GLU A 57 -8.520 6.942 -14.605 1.00 0.00 O ATOM 910 CB GLU A 57 -7.293 9.422 -15.893 1.00 0.00 C ATOM 911 CG GLU A 57 -8.257 10.607 -15.792 1.00 0.00 C ATOM 912 CD GLU A 57 -8.306 11.384 -17.119 1.00 0.00 C ATOM 913 OE1 GLU A 57 -8.932 10.897 -18.091 1.00 0.00 O ATOM 914 OE2 GLU A 57 -7.715 12.489 -17.196 1.00 0.00 O ATOM 0 H GLU A 57 -5.452 7.887 -15.577 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.824 9.607 -13.798 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.361 9.751 -16.354 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.721 8.661 -16.546 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -9.255 10.250 -15.537 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -7.941 11.271 -14.988 1.00 0.00 H new ATOM 921 N TYR A 58 -8.813 8.431 -12.938 1.00 0.00 N ATOM 922 CA TYR A 58 -9.987 7.822 -12.341 1.00 0.00 C ATOM 923 C TYR A 58 -11.143 8.828 -12.433 1.00 0.00 C ATOM 924 O TYR A 58 -11.253 9.769 -11.646 1.00 0.00 O ATOM 925 CB TYR A 58 -9.642 7.356 -10.915 1.00 0.00 C ATOM 926 CG TYR A 58 -10.803 6.947 -10.026 1.00 0.00 C ATOM 927 CD1 TYR A 58 -12.019 6.518 -10.591 1.00 0.00 C ATOM 928 CD2 TYR A 58 -10.634 6.919 -8.626 1.00 0.00 C ATOM 929 CE1 TYR A 58 -13.061 6.076 -9.768 1.00 0.00 C ATOM 930 CE2 TYR A 58 -11.675 6.458 -7.797 1.00 0.00 C ATOM 931 CZ TYR A 58 -12.891 6.037 -8.375 1.00 0.00 C ATOM 932 OH TYR A 58 -13.913 5.577 -7.615 1.00 0.00 O ATOM 0 H TYR A 58 -8.508 9.269 -12.443 1.00 0.00 H new ATOM 0 HA TYR A 58 -10.312 6.926 -12.869 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -8.958 6.510 -10.991 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -9.100 8.160 -10.417 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -12.148 6.530 -11.663 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.704 7.252 -8.189 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -13.998 5.764 -10.205 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -11.543 6.427 -6.726 1.00 0.00 H new ATOM 0 HH TYR A 58 -14.656 5.307 -8.194 1.00 0.00 H new ATOM 942 N CYS A 59 -12.001 8.634 -13.438 1.00 0.00 N ATOM 943 CA CYS A 59 -13.186 9.456 -13.666 1.00 0.00 C ATOM 944 C CYS A 59 -14.464 8.660 -13.365 1.00 0.00 C ATOM 945 O CYS A 59 -14.529 7.445 -13.579 1.00 0.00 O ATOM 946 CB CYS A 59 -13.142 9.977 -15.107 1.00 0.00 C ATOM 947 SG CYS A 59 -14.451 11.210 -15.380 1.00 0.00 S ATOM 0 H CYS A 59 -11.887 7.889 -14.125 1.00 0.00 H new ATOM 0 HA CYS A 59 -13.195 10.310 -12.989 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -12.168 10.422 -15.309 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -13.265 9.148 -15.804 1.00 0.00 H new ATOM 0 HG CYS A 59 -14.783 11.749 -14.245 1.00 0.00 H new ATOM 953 N LEU A 60 -15.490 9.355 -12.877 1.00 0.00 N ATOM 954 CA LEU A 60 -16.760 8.784 -12.435 1.00 0.00 C ATOM 955 C LEU A 60 -17.918 9.136 -13.375 1.00 0.00 C ATOM 956 O LEU A 60 -17.853 10.072 -14.170 1.00 0.00 O ATOM 957 CB LEU A 60 -17.043 9.323 -11.022 1.00 0.00 C ATOM 958 CG LEU A 60 -17.251 8.281 -9.924 1.00 0.00 C ATOM 959 CD1 LEU A 60 -16.050 7.366 -9.739 1.00 0.00 C ATOM 960 CD2 LEU A 60 -17.511 9.038 -8.625 1.00 0.00 C ATOM 0 H LEU A 60 -15.458 10.369 -12.775 1.00 0.00 H new ATOM 0 HA LEU A 60 -16.681 7.697 -12.438 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -16.213 9.966 -10.729 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -17.932 9.952 -11.068 1.00 0.00 H new ATOM 0 HG LEU A 60 -18.088 7.642 -10.206 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -16.258 6.648 -8.946 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -15.852 6.832 -10.669 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -15.177 7.961 -9.470 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -17.665 8.326 -7.814 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -16.654 9.671 -8.395 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -18.400 9.658 -8.737 1.00 0.00 H new ATOM 972 N GLU A 61 -19.018 8.396 -13.224 1.00 0.00 N ATOM 973 CA GLU A 61 -20.222 8.538 -14.062 1.00 0.00 C ATOM 974 C GLU A 61 -20.953 9.881 -13.845 1.00 0.00 C ATOM 975 O GLU A 61 -21.651 10.366 -14.738 1.00 0.00 O ATOM 976 CB GLU A 61 -21.172 7.362 -13.776 1.00 0.00 C ATOM 977 CG GLU A 61 -20.614 5.965 -14.115 1.00 0.00 C ATOM 978 CD GLU A 61 -20.635 5.592 -15.614 1.00 0.00 C ATOM 979 OE1 GLU A 61 -20.728 6.480 -16.496 1.00 0.00 O ATOM 980 OE2 GLU A 61 -20.561 4.374 -15.917 1.00 0.00 O ATOM 0 H GLU A 61 -19.104 7.672 -12.510 1.00 0.00 H new ATOM 0 HA GLU A 61 -19.903 8.528 -15.104 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -21.439 7.381 -12.720 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -22.092 7.514 -14.341 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -19.586 5.906 -13.757 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -21.187 5.219 -13.564 1.00 0.00 H new ATOM 987 N ASP A 62 -20.769 10.506 -12.675 1.00 0.00 N ATOM 988 CA ASP A 62 -21.295 11.841 -12.343 1.00 0.00 C ATOM 989 C ASP A 62 -20.433 12.994 -12.905 1.00 0.00 C ATOM 990 O ASP A 62 -20.941 14.096 -13.129 1.00 0.00 O ATOM 991 CB ASP A 62 -21.398 11.956 -10.814 1.00 0.00 C ATOM 992 CG ASP A 62 -22.007 13.295 -10.362 1.00 0.00 C ATOM 993 OD1 ASP A 62 -23.232 13.498 -10.551 1.00 0.00 O ATOM 994 OD2 ASP A 62 -21.274 14.136 -9.787 1.00 0.00 O ATOM 0 H ASP A 62 -20.237 10.088 -11.912 1.00 0.00 H new ATOM 0 HA ASP A 62 -22.274 11.940 -12.812 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -22.007 11.137 -10.432 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -20.405 11.846 -10.377 1.00 0.00 H new ATOM 999 N GLY A 63 -19.137 12.745 -13.137 1.00 0.00 N ATOM 1000 CA GLY A 63 -18.168 13.723 -13.653 1.00 0.00 C ATOM 1001 C GLY A 63 -16.976 13.998 -12.725 1.00 0.00 C ATOM 1002 O GLY A 63 -16.045 14.699 -13.131 1.00 0.00 O ATOM 0 H GLY A 63 -18.721 11.830 -12.966 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -17.790 13.368 -14.612 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -18.687 14.662 -13.843 1.00 0.00 H new ATOM 1006 N SER A 64 -16.981 13.467 -11.493 1.00 0.00 N ATOM 1007 CA SER A 64 -15.864 13.578 -10.538 1.00 0.00 C ATOM 1008 C SER A 64 -14.551 13.055 -11.142 1.00 0.00 C ATOM 1009 O SER A 64 -14.552 12.065 -11.882 1.00 0.00 O ATOM 1010 CB SER A 64 -16.171 12.816 -9.237 1.00 0.00 C ATOM 1011 OG SER A 64 -17.472 13.110 -8.745 1.00 0.00 O ATOM 0 H SER A 64 -17.773 12.940 -11.125 1.00 0.00 H new ATOM 0 HA SER A 64 -15.744 14.637 -10.311 1.00 0.00 H new ATOM 0 HB2 SER A 64 -16.084 11.744 -9.415 1.00 0.00 H new ATOM 0 HB3 SER A 64 -15.430 13.075 -8.481 1.00 0.00 H new ATOM 0 HG SER A 64 -17.631 12.607 -7.919 1.00 0.00 H new ATOM 1017 N LEU A 65 -13.428 13.703 -10.810 1.00 0.00 N ATOM 1018 CA LEU A 65 -12.109 13.436 -11.396 1.00 0.00 C ATOM 1019 C LEU A 65 -11.061 13.264 -10.287 1.00 0.00 C ATOM 1020 O LEU A 65 -10.889 14.129 -9.423 1.00 0.00 O ATOM 1021 CB LEU A 65 -11.749 14.584 -12.368 1.00 0.00 C ATOM 1022 CG LEU A 65 -10.825 14.237 -13.554 1.00 0.00 C ATOM 1023 CD1 LEU A 65 -9.563 13.461 -13.176 1.00 0.00 C ATOM 1024 CD2 LEU A 65 -11.580 13.433 -14.612 1.00 0.00 C ATOM 0 H LEU A 65 -13.411 14.445 -10.110 1.00 0.00 H new ATOM 0 HA LEU A 65 -12.128 12.504 -11.962 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -12.677 14.990 -12.770 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -11.276 15.379 -11.792 1.00 0.00 H new ATOM 0 HG LEU A 65 -10.505 15.204 -13.941 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.976 13.262 -14.073 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.969 14.050 -12.477 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -9.843 12.517 -12.709 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -10.909 13.199 -15.439 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -11.948 12.507 -14.171 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -12.422 14.019 -14.982 1.00 0.00 H new ATOM 1036 N ILE A 66 -10.377 12.121 -10.316 1.00 0.00 N ATOM 1037 CA ILE A 66 -9.426 11.633 -9.312 1.00 0.00 C ATOM 1038 C ILE A 66 -8.183 11.091 -10.048 1.00 0.00 C ATOM 1039 O ILE A 66 -8.269 10.640 -11.195 1.00 0.00 O ATOM 1040 CB ILE A 66 -10.105 10.548 -8.422 1.00 0.00 C ATOM 1041 CG1 ILE A 66 -11.467 11.012 -7.839 1.00 0.00 C ATOM 1042 CG2 ILE A 66 -9.165 10.127 -7.273 1.00 0.00 C ATOM 1043 CD1 ILE A 66 -12.317 9.911 -7.188 1.00 0.00 C ATOM 0 H ILE A 66 -10.477 11.466 -11.092 1.00 0.00 H new ATOM 0 HA ILE A 66 -9.113 12.438 -8.647 1.00 0.00 H new ATOM 0 HB ILE A 66 -10.303 9.695 -9.071 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -11.279 11.788 -7.097 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -12.048 11.470 -8.640 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -9.655 9.369 -6.661 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.243 9.719 -7.688 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -8.932 10.995 -6.657 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -13.246 10.342 -6.814 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -12.545 9.143 -7.927 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -11.764 9.466 -6.361 1.00 0.00 H new ATOM 1055 N ARG A 67 -7.010 11.134 -9.402 1.00 0.00 N ATOM 1056 CA ARG A 67 -5.735 10.639 -9.950 1.00 0.00 C ATOM 1057 C ARG A 67 -4.964 9.852 -8.889 1.00 0.00 C ATOM 1058 O ARG A 67 -4.511 10.417 -7.890 1.00 0.00 O ATOM 1059 CB ARG A 67 -4.910 11.816 -10.497 1.00 0.00 C ATOM 1060 CG ARG A 67 -5.481 12.347 -11.822 1.00 0.00 C ATOM 1061 CD ARG A 67 -4.569 13.426 -12.414 1.00 0.00 C ATOM 1062 NE ARG A 67 -4.913 13.713 -13.820 1.00 0.00 N ATOM 1063 CZ ARG A 67 -4.289 14.568 -14.614 1.00 0.00 C ATOM 1064 NH1 ARG A 67 -3.326 15.336 -14.187 1.00 0.00 N ATOM 1065 NH2 ARG A 67 -4.617 14.659 -15.871 1.00 0.00 N ATOM 0 H ARG A 67 -6.917 11.522 -8.463 1.00 0.00 H new ATOM 0 HA ARG A 67 -5.939 9.957 -10.775 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -4.892 12.620 -9.761 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -3.878 11.498 -10.647 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -5.589 11.527 -12.531 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -6.477 12.758 -11.655 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -4.653 14.339 -11.824 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -3.531 13.101 -12.351 1.00 0.00 H new ATOM 0 HE ARG A 67 -5.704 13.206 -14.216 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -3.031 15.289 -13.212 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -2.868 15.983 -14.828 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -5.359 14.069 -16.249 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -4.132 15.320 -16.478 1.00 0.00 H new ATOM 1079 N ALA A 68 -4.826 8.547 -9.119 1.00 0.00 N ATOM 1080 CA ALA A 68 -4.197 7.598 -8.200 1.00 0.00 C ATOM 1081 C ALA A 68 -3.426 6.500 -8.947 1.00 0.00 C ATOM 1082 O ALA A 68 -3.583 6.307 -10.155 1.00 0.00 O ATOM 1083 CB ALA A 68 -5.291 6.981 -7.316 1.00 0.00 C ATOM 0 H ALA A 68 -5.159 8.107 -9.977 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.469 8.130 -7.587 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -4.841 6.270 -6.623 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.791 7.769 -6.753 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -6.018 6.466 -7.943 1.00 0.00 H new ATOM 1089 N THR A 69 -2.595 5.760 -8.220 1.00 0.00 N ATOM 1090 CA THR A 69 -1.903 4.569 -8.731 1.00 0.00 C ATOM 1091 C THR A 69 -2.791 3.332 -8.647 1.00 0.00 C ATOM 1092 O THR A 69 -3.573 3.192 -7.704 1.00 0.00 O ATOM 1093 CB THR A 69 -0.634 4.291 -7.916 1.00 0.00 C ATOM 1094 OG1 THR A 69 -0.921 4.307 -6.530 1.00 0.00 O ATOM 1095 CG2 THR A 69 0.442 5.326 -8.204 1.00 0.00 C ATOM 0 H THR A 69 -2.377 5.969 -7.246 1.00 0.00 H new ATOM 0 HA THR A 69 -1.651 4.771 -9.772 1.00 0.00 H new ATOM 0 HB THR A 69 -0.270 3.306 -8.207 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.702 3.435 -6.141 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.329 5.103 -7.612 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.697 5.301 -9.263 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.072 6.318 -7.943 1.00 0.00 H new ATOM 1103 N LYS A 70 -2.565 2.366 -9.541 1.00 0.00 N ATOM 1104 CA LYS A 70 -3.255 1.059 -9.554 1.00 0.00 C ATOM 1105 C LYS A 70 -3.036 0.205 -8.301 1.00 0.00 C ATOM 1106 O LYS A 70 -3.763 -0.755 -8.069 1.00 0.00 O ATOM 1107 CB LYS A 70 -2.838 0.262 -10.800 1.00 0.00 C ATOM 1108 CG LYS A 70 -3.606 0.728 -12.041 1.00 0.00 C ATOM 1109 CD LYS A 70 -3.039 0.173 -13.356 1.00 0.00 C ATOM 1110 CE LYS A 70 -3.286 -1.314 -13.645 1.00 0.00 C ATOM 1111 NZ LYS A 70 -2.328 -2.231 -12.966 1.00 0.00 N ATOM 0 H LYS A 70 -1.885 2.466 -10.294 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.320 1.291 -9.573 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -1.767 0.378 -10.967 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -3.021 -0.800 -10.634 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.649 0.426 -11.948 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.592 1.817 -12.079 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.459 0.753 -14.178 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -1.963 0.346 -13.361 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.299 -1.570 -13.336 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.230 -1.479 -14.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -2.263 -3.122 -13.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -1.390 -1.784 -12.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -2.661 -2.429 -12.001 1.00 0.00 H new ATOM 1125 N ASP A 71 -2.039 0.557 -7.497 1.00 0.00 N ATOM 1126 CA ASP A 71 -1.621 -0.152 -6.291 1.00 0.00 C ATOM 1127 C ASP A 71 -2.365 0.337 -5.043 1.00 0.00 C ATOM 1128 O ASP A 71 -2.355 -0.350 -4.021 1.00 0.00 O ATOM 1129 CB ASP A 71 -0.120 0.074 -6.092 1.00 0.00 C ATOM 1130 CG ASP A 71 0.727 -0.361 -7.299 1.00 0.00 C ATOM 1131 OD1 ASP A 71 1.028 -1.572 -7.421 1.00 0.00 O ATOM 1132 OD2 ASP A 71 1.092 0.512 -8.126 1.00 0.00 O ATOM 0 H ASP A 71 -1.472 1.385 -7.677 1.00 0.00 H new ATOM 0 HA ASP A 71 -1.853 -1.209 -6.422 1.00 0.00 H new ATOM 0 HB2 ASP A 71 0.058 1.131 -5.894 1.00 0.00 H new ATOM 0 HB3 ASP A 71 0.209 -0.475 -5.210 1.00 0.00 H new ATOM 1137 N HIS A 72 -3.006 1.513 -5.102 1.00 0.00 N ATOM 1138 CA HIS A 72 -3.771 2.042 -3.973 1.00 0.00 C ATOM 1139 C HIS A 72 -5.142 1.363 -3.935 1.00 0.00 C ATOM 1140 O HIS A 72 -5.837 1.286 -4.955 1.00 0.00 O ATOM 1141 CB HIS A 72 -3.933 3.563 -4.107 1.00 0.00 C ATOM 1142 CG HIS A 72 -4.330 4.259 -2.819 1.00 0.00 C ATOM 1143 ND1 HIS A 72 -5.136 3.814 -1.792 1.00 0.00 N ATOM 1144 CD2 HIS A 72 -3.818 5.452 -2.399 1.00 0.00 C ATOM 1145 CE1 HIS A 72 -5.070 4.697 -0.782 1.00 0.00 C ATOM 1146 NE2 HIS A 72 -4.283 5.731 -1.111 1.00 0.00 N ATOM 0 H HIS A 72 -3.007 2.115 -5.925 1.00 0.00 H new ATOM 0 HA HIS A 72 -3.239 1.836 -3.044 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -2.994 3.988 -4.463 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -4.686 3.772 -4.867 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -5.690 2.957 -1.798 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -3.156 6.083 -2.973 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -5.580 4.589 0.164 1.00 0.00 H new ATOM 1154 N LYS A 73 -5.538 0.880 -2.755 1.00 0.00 N ATOM 1155 CA LYS A 73 -6.856 0.282 -2.548 1.00 0.00 C ATOM 1156 C LYS A 73 -7.891 1.335 -2.142 1.00 0.00 C ATOM 1157 O LYS A 73 -7.553 2.388 -1.601 1.00 0.00 O ATOM 1158 CB LYS A 73 -6.771 -0.875 -1.537 1.00 0.00 C ATOM 1159 CG LYS A 73 -5.848 -2.019 -2.000 1.00 0.00 C ATOM 1160 CD LYS A 73 -4.419 -1.905 -1.450 1.00 0.00 C ATOM 1161 CE LYS A 73 -3.530 -3.076 -1.888 1.00 0.00 C ATOM 1162 NZ LYS A 73 -3.141 -3.010 -3.325 1.00 0.00 N ATOM 0 H LYS A 73 -4.954 0.893 -1.919 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.197 -0.136 -3.495 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -6.411 -0.490 -0.583 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -7.771 -1.272 -1.363 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -6.276 -2.971 -1.687 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -5.811 -2.029 -3.089 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -3.976 -0.969 -1.789 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -4.453 -1.866 -0.361 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -2.629 -3.090 -1.274 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -4.056 -4.013 -1.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -2.353 -3.665 -3.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -3.953 -3.278 -3.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -2.845 -2.041 -3.561 1.00 0.00 H new ATOM 1176 N PHE A 74 -9.162 1.043 -2.379 1.00 0.00 N ATOM 1177 CA PHE A 74 -10.276 1.913 -2.007 1.00 0.00 C ATOM 1178 C PHE A 74 -11.390 1.069 -1.386 1.00 0.00 C ATOM 1179 O PHE A 74 -11.644 -0.053 -1.825 1.00 0.00 O ATOM 1180 CB PHE A 74 -10.785 2.683 -3.235 1.00 0.00 C ATOM 1181 CG PHE A 74 -9.843 3.733 -3.812 1.00 0.00 C ATOM 1182 CD1 PHE A 74 -8.759 3.353 -4.633 1.00 0.00 C ATOM 1183 CD2 PHE A 74 -10.074 5.102 -3.567 1.00 0.00 C ATOM 1184 CE1 PHE A 74 -7.898 4.329 -5.169 1.00 0.00 C ATOM 1185 CE2 PHE A 74 -9.216 6.077 -4.105 1.00 0.00 C ATOM 1186 CZ PHE A 74 -8.125 5.690 -4.902 1.00 0.00 C ATOM 0 H PHE A 74 -9.456 0.183 -2.842 1.00 0.00 H new ATOM 0 HA PHE A 74 -9.939 2.645 -1.273 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -11.015 1.962 -4.019 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -11.721 3.173 -2.968 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -8.590 2.309 -4.851 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -10.916 5.404 -2.962 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -7.063 4.032 -5.786 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -9.395 7.123 -3.906 1.00 0.00 H new ATOM 0 HZ PHE A 74 -7.461 6.438 -5.309 1.00 0.00 H new ATOM 1196 N MET A 75 -12.034 1.602 -0.346 1.00 0.00 N ATOM 1197 CA MET A 75 -13.130 0.941 0.362 1.00 0.00 C ATOM 1198 C MET A 75 -14.372 0.861 -0.542 1.00 0.00 C ATOM 1199 O MET A 75 -15.026 1.871 -0.820 1.00 0.00 O ATOM 1200 CB MET A 75 -13.402 1.721 1.656 1.00 0.00 C ATOM 1201 CG MET A 75 -14.502 1.101 2.518 1.00 0.00 C ATOM 1202 SD MET A 75 -14.951 2.113 3.955 1.00 0.00 S ATOM 1203 CE MET A 75 -13.693 1.599 5.154 1.00 0.00 C ATOM 0 H MET A 75 -11.804 2.520 0.034 1.00 0.00 H new ATOM 0 HA MET A 75 -12.864 -0.084 0.620 1.00 0.00 H new ATOM 0 HB2 MET A 75 -12.482 1.777 2.238 1.00 0.00 H new ATOM 0 HB3 MET A 75 -13.682 2.744 1.403 1.00 0.00 H new ATOM 0 HG2 MET A 75 -15.388 0.943 1.904 1.00 0.00 H new ATOM 0 HG3 MET A 75 -14.174 0.120 2.862 1.00 0.00 H new ATOM 0 HE1 MET A 75 -13.703 2.279 6.006 1.00 0.00 H new ATOM 0 HE2 MET A 75 -13.908 0.587 5.496 1.00 0.00 H new ATOM 0 HE3 MET A 75 -12.710 1.622 4.683 1.00 0.00 H new ATOM 1213 N THR A 76 -14.701 -0.341 -1.016 1.00 0.00 N ATOM 1214 CA THR A 76 -15.940 -0.586 -1.779 1.00 0.00 C ATOM 1215 C THR A 76 -17.180 -0.504 -0.897 1.00 0.00 C ATOM 1216 O THR A 76 -17.078 -0.486 0.330 1.00 0.00 O ATOM 1217 CB THR A 76 -15.932 -1.941 -2.497 1.00 0.00 C ATOM 1218 OG1 THR A 76 -15.859 -3.000 -1.571 1.00 0.00 O ATOM 1219 CG2 THR A 76 -14.761 -2.015 -3.464 1.00 0.00 C ATOM 0 H THR A 76 -14.124 -1.172 -0.887 1.00 0.00 H new ATOM 0 HA THR A 76 -15.977 0.206 -2.527 1.00 0.00 H new ATOM 0 HB THR A 76 -16.863 -2.036 -3.055 1.00 0.00 H new ATOM 0 HG1 THR A 76 -15.857 -3.855 -2.051 1.00 0.00 H new ATOM 0 HG21 THR A 76 -14.766 -2.982 -3.968 1.00 0.00 H new ATOM 0 HG22 THR A 76 -14.849 -1.220 -4.204 1.00 0.00 H new ATOM 0 HG23 THR A 76 -13.827 -1.897 -2.914 1.00 0.00 H new ATOM 1227 N VAL A 77 -18.368 -0.501 -1.508 1.00 0.00 N ATOM 1228 CA VAL A 77 -19.654 -0.548 -0.788 1.00 0.00 C ATOM 1229 C VAL A 77 -19.814 -1.721 0.195 1.00 0.00 C ATOM 1230 O VAL A 77 -20.590 -1.624 1.145 1.00 0.00 O ATOM 1231 CB VAL A 77 -20.857 -0.543 -1.749 1.00 0.00 C ATOM 1232 CG1 VAL A 77 -21.040 0.835 -2.382 1.00 0.00 C ATOM 1233 CG2 VAL A 77 -20.752 -1.605 -2.852 1.00 0.00 C ATOM 0 H VAL A 77 -18.471 -0.466 -2.522 1.00 0.00 H new ATOM 0 HA VAL A 77 -19.637 0.365 -0.193 1.00 0.00 H new ATOM 0 HB VAL A 77 -21.728 -0.790 -1.142 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -21.896 0.815 -3.057 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -21.212 1.575 -1.600 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -20.143 1.101 -2.941 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -21.630 -1.549 -3.495 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -19.855 -1.426 -3.445 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -20.696 -2.595 -2.400 1.00 0.00 H new ATOM 1243 N ASP A 78 -19.080 -2.821 -0.007 1.00 0.00 N ATOM 1244 CA ASP A 78 -19.042 -3.973 0.911 1.00 0.00 C ATOM 1245 C ASP A 78 -17.983 -3.831 2.027 1.00 0.00 C ATOM 1246 O ASP A 78 -17.929 -4.658 2.944 1.00 0.00 O ATOM 1247 CB ASP A 78 -18.796 -5.250 0.093 1.00 0.00 C ATOM 1248 CG ASP A 78 -20.037 -5.650 -0.720 1.00 0.00 C ATOM 1249 OD1 ASP A 78 -21.041 -6.096 -0.113 1.00 0.00 O ATOM 1250 OD2 ASP A 78 -20.007 -5.545 -1.969 1.00 0.00 O ATOM 0 H ASP A 78 -18.484 -2.941 -0.826 1.00 0.00 H new ATOM 0 HA ASP A 78 -20.005 -4.023 1.420 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -17.954 -5.094 -0.581 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -18.521 -6.065 0.763 1.00 0.00 H new ATOM 1255 N GLY A 79 -17.138 -2.796 1.964 1.00 0.00 N ATOM 1256 CA GLY A 79 -16.073 -2.507 2.933 1.00 0.00 C ATOM 1257 C GLY A 79 -14.719 -3.131 2.574 1.00 0.00 C ATOM 1258 O GLY A 79 -13.791 -3.086 3.385 1.00 0.00 O ATOM 0 H GLY A 79 -17.178 -2.111 1.209 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -15.954 -1.427 3.015 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -16.380 -2.869 3.914 1.00 0.00 H new ATOM 1262 N GLN A 80 -14.594 -3.731 1.384 1.00 0.00 N ATOM 1263 CA GLN A 80 -13.372 -4.400 0.930 1.00 0.00 C ATOM 1264 C GLN A 80 -12.357 -3.367 0.415 1.00 0.00 C ATOM 1265 O GLN A 80 -12.680 -2.562 -0.459 1.00 0.00 O ATOM 1266 CB GLN A 80 -13.707 -5.420 -0.176 1.00 0.00 C ATOM 1267 CG GLN A 80 -14.729 -6.484 0.257 1.00 0.00 C ATOM 1268 CD GLN A 80 -14.914 -7.566 -0.809 1.00 0.00 C ATOM 1269 OE1 GLN A 80 -14.008 -8.329 -1.126 1.00 0.00 O ATOM 1270 NE2 GLN A 80 -16.085 -7.689 -1.403 1.00 0.00 N ATOM 0 H GLN A 80 -15.351 -3.765 0.701 1.00 0.00 H new ATOM 0 HA GLN A 80 -12.928 -4.930 1.773 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -14.095 -4.888 -1.044 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -12.789 -5.917 -0.491 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -14.400 -6.945 1.189 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -15.687 -6.006 0.459 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -16.852 -7.064 -1.153 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -16.224 -8.409 -2.112 1.00 0.00 H new ATOM 1279 N MET A 81 -11.127 -3.395 0.935 1.00 0.00 N ATOM 1280 CA MET A 81 -9.991 -2.629 0.412 1.00 0.00 C ATOM 1281 C MET A 81 -9.365 -3.352 -0.794 1.00 0.00 C ATOM 1282 O MET A 81 -8.483 -4.199 -0.644 1.00 0.00 O ATOM 1283 CB MET A 81 -8.961 -2.303 1.517 1.00 0.00 C ATOM 1284 CG MET A 81 -8.453 -3.477 2.375 1.00 0.00 C ATOM 1285 SD MET A 81 -9.524 -4.018 3.740 1.00 0.00 S ATOM 1286 CE MET A 81 -9.357 -2.581 4.835 1.00 0.00 C ATOM 0 H MET A 81 -10.887 -3.962 1.748 1.00 0.00 H new ATOM 0 HA MET A 81 -10.359 -1.666 0.057 1.00 0.00 H new ATOM 0 HB2 MET A 81 -8.099 -1.831 1.046 1.00 0.00 H new ATOM 0 HB3 MET A 81 -9.404 -1.564 2.184 1.00 0.00 H new ATOM 0 HG2 MET A 81 -8.284 -4.330 1.718 1.00 0.00 H new ATOM 0 HG3 MET A 81 -7.485 -3.199 2.792 1.00 0.00 H new ATOM 0 HE1 MET A 81 -9.689 -2.847 5.838 1.00 0.00 H new ATOM 0 HE2 MET A 81 -8.313 -2.269 4.869 1.00 0.00 H new ATOM 0 HE3 MET A 81 -9.968 -1.762 4.456 1.00 0.00 H new ATOM 1296 N LEU A 82 -9.822 -3.014 -2.004 1.00 0.00 N ATOM 1297 CA LEU A 82 -9.340 -3.611 -3.262 1.00 0.00 C ATOM 1298 C LEU A 82 -8.668 -2.551 -4.153 1.00 0.00 C ATOM 1299 O LEU A 82 -9.095 -1.392 -4.130 1.00 0.00 O ATOM 1300 CB LEU A 82 -10.511 -4.277 -4.014 1.00 0.00 C ATOM 1301 CG LEU A 82 -11.344 -5.266 -3.174 1.00 0.00 C ATOM 1302 CD1 LEU A 82 -12.518 -5.788 -3.996 1.00 0.00 C ATOM 1303 CD2 LEU A 82 -10.525 -6.464 -2.692 1.00 0.00 C ATOM 0 H LEU A 82 -10.546 -2.309 -2.143 1.00 0.00 H new ATOM 0 HA LEU A 82 -8.596 -4.369 -3.019 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -11.172 -3.497 -4.391 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.114 -4.805 -4.881 1.00 0.00 H new ATOM 0 HG LEU A 82 -11.692 -4.715 -2.300 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -13.101 -6.486 -3.395 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -13.150 -4.953 -4.298 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -12.143 -6.299 -4.883 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -11.161 -7.127 -2.106 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -10.131 -7.005 -3.552 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -9.698 -6.114 -2.074 1.00 0.00 H new ATOM 1315 N PRO A 83 -7.626 -2.909 -4.931 1.00 0.00 N ATOM 1316 CA PRO A 83 -6.937 -1.979 -5.826 1.00 0.00 C ATOM 1317 C PRO A 83 -7.865 -1.501 -6.941 1.00 0.00 C ATOM 1318 O PRO A 83 -8.683 -2.269 -7.449 1.00 0.00 O ATOM 1319 CB PRO A 83 -5.743 -2.742 -6.401 1.00 0.00 C ATOM 1320 CG PRO A 83 -6.176 -4.203 -6.296 1.00 0.00 C ATOM 1321 CD PRO A 83 -7.046 -4.238 -5.045 1.00 0.00 C ATOM 0 HA PRO A 83 -6.614 -1.087 -5.289 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -5.542 -2.455 -7.433 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -4.832 -2.551 -5.834 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -6.732 -4.519 -7.178 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -5.318 -4.869 -6.205 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -7.823 -4.998 -5.130 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -6.454 -4.484 -4.163 1.00 0.00 H new ATOM 1329 N ILE A 84 -7.697 -0.255 -7.381 1.00 0.00 N ATOM 1330 CA ILE A 84 -8.524 0.317 -8.452 1.00 0.00 C ATOM 1331 C ILE A 84 -8.451 -0.462 -9.785 1.00 0.00 C ATOM 1332 O ILE A 84 -9.436 -0.522 -10.522 1.00 0.00 O ATOM 1333 CB ILE A 84 -8.229 1.819 -8.602 1.00 0.00 C ATOM 1334 CG1 ILE A 84 -9.280 2.442 -9.529 1.00 0.00 C ATOM 1335 CG2 ILE A 84 -6.800 2.088 -9.090 1.00 0.00 C ATOM 1336 CD1 ILE A 84 -9.448 3.940 -9.327 1.00 0.00 C ATOM 0 H ILE A 84 -6.993 0.384 -7.012 1.00 0.00 H new ATOM 0 HA ILE A 84 -9.566 0.209 -8.152 1.00 0.00 H new ATOM 0 HB ILE A 84 -8.294 2.289 -7.621 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -8.999 2.251 -10.565 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -10.238 1.950 -9.363 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -6.642 3.163 -9.179 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -6.088 1.675 -8.376 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -6.653 1.618 -10.062 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -10.206 4.317 -10.014 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -9.758 4.136 -8.301 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -8.500 4.442 -9.522 1.00 0.00 H new ATOM 1348 N ASP A 85 -7.329 -1.142 -10.044 1.00 0.00 N ATOM 1349 CA ASP A 85 -7.174 -2.106 -11.142 1.00 0.00 C ATOM 1350 C ASP A 85 -8.223 -3.236 -11.108 1.00 0.00 C ATOM 1351 O ASP A 85 -8.702 -3.676 -12.155 1.00 0.00 O ATOM 1352 CB ASP A 85 -5.766 -2.704 -11.057 1.00 0.00 C ATOM 1353 CG ASP A 85 -5.519 -3.803 -12.107 1.00 0.00 C ATOM 1354 OD1 ASP A 85 -5.582 -3.510 -13.324 1.00 0.00 O ATOM 1355 OD2 ASP A 85 -5.201 -4.951 -11.714 1.00 0.00 O ATOM 0 H ASP A 85 -6.483 -1.036 -9.484 1.00 0.00 H new ATOM 0 HA ASP A 85 -7.326 -1.574 -12.081 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -5.031 -1.910 -11.189 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -5.612 -3.119 -10.061 1.00 0.00 H new ATOM 1360 N GLU A 86 -8.614 -3.683 -9.909 1.00 0.00 N ATOM 1361 CA GLU A 86 -9.670 -4.689 -9.741 1.00 0.00 C ATOM 1362 C GLU A 86 -11.061 -4.044 -9.732 1.00 0.00 C ATOM 1363 O GLU A 86 -11.993 -4.622 -10.290 1.00 0.00 O ATOM 1364 CB GLU A 86 -9.423 -5.538 -8.478 1.00 0.00 C ATOM 1365 CG GLU A 86 -10.480 -6.651 -8.330 1.00 0.00 C ATOM 1366 CD GLU A 86 -10.107 -7.765 -7.332 1.00 0.00 C ATOM 1367 OE1 GLU A 86 -9.216 -7.579 -6.468 1.00 0.00 O ATOM 1368 OE2 GLU A 86 -10.727 -8.856 -7.414 1.00 0.00 O ATOM 0 H GLU A 86 -8.209 -3.359 -9.031 1.00 0.00 H new ATOM 0 HA GLU A 86 -9.637 -5.360 -10.600 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -8.429 -5.983 -8.526 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -9.443 -4.896 -7.597 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -11.421 -6.200 -8.015 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -10.653 -7.101 -9.308 1.00 0.00 H new ATOM 1375 N ILE A 87 -11.220 -2.832 -9.184 1.00 0.00 N ATOM 1376 CA ILE A 87 -12.522 -2.146 -9.148 1.00 0.00 C ATOM 1377 C ILE A 87 -13.052 -1.908 -10.571 1.00 0.00 C ATOM 1378 O ILE A 87 -14.241 -2.105 -10.827 1.00 0.00 O ATOM 1379 CB ILE A 87 -12.410 -0.834 -8.341 1.00 0.00 C ATOM 1380 CG1 ILE A 87 -11.952 -1.141 -6.897 1.00 0.00 C ATOM 1381 CG2 ILE A 87 -13.740 -0.072 -8.307 1.00 0.00 C ATOM 1382 CD1 ILE A 87 -11.715 0.091 -6.021 1.00 0.00 C ATOM 0 H ILE A 87 -10.460 -2.303 -8.757 1.00 0.00 H new ATOM 0 HA ILE A 87 -13.247 -2.783 -8.642 1.00 0.00 H new ATOM 0 HB ILE A 87 -11.673 -0.203 -8.838 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -12.703 -1.770 -6.419 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -11.030 -1.722 -6.939 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -13.619 0.845 -7.730 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -14.043 0.177 -9.324 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -14.505 -0.695 -7.843 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -11.397 -0.225 -5.027 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -10.940 0.713 -6.470 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -12.639 0.664 -5.941 1.00 0.00 H new ATOM 1394 N PHE A 88 -12.171 -1.551 -11.512 1.00 0.00 N ATOM 1395 CA PHE A 88 -12.533 -1.365 -12.923 1.00 0.00 C ATOM 1396 C PHE A 88 -13.002 -2.662 -13.612 1.00 0.00 C ATOM 1397 O PHE A 88 -13.959 -2.634 -14.388 1.00 0.00 O ATOM 1398 CB PHE A 88 -11.346 -0.748 -13.675 1.00 0.00 C ATOM 1399 CG PHE A 88 -11.684 -0.305 -15.087 1.00 0.00 C ATOM 1400 CD1 PHE A 88 -12.282 0.950 -15.322 1.00 0.00 C ATOM 1401 CD2 PHE A 88 -11.428 -1.164 -16.172 1.00 0.00 C ATOM 1402 CE1 PHE A 88 -12.597 1.351 -16.631 1.00 0.00 C ATOM 1403 CE2 PHE A 88 -11.741 -0.762 -17.484 1.00 0.00 C ATOM 1404 CZ PHE A 88 -12.320 0.497 -17.713 1.00 0.00 C ATOM 0 H PHE A 88 -11.184 -1.382 -11.317 1.00 0.00 H new ATOM 0 HA PHE A 88 -13.388 -0.689 -12.952 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -10.977 0.110 -13.113 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -10.535 -1.475 -13.716 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -12.499 1.606 -14.492 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -10.990 -2.135 -15.997 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -13.052 2.315 -16.806 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -11.536 -1.421 -18.314 1.00 0.00 H new ATOM 0 HZ PHE A 88 -12.552 0.809 -18.720 1.00 0.00 H new ATOM 1414 N GLU A 89 -12.370 -3.806 -13.317 1.00 0.00 N ATOM 1415 CA GLU A 89 -12.753 -5.108 -13.891 1.00 0.00 C ATOM 1416 C GLU A 89 -14.010 -5.702 -13.245 1.00 0.00 C ATOM 1417 O GLU A 89 -14.856 -6.269 -13.946 1.00 0.00 O ATOM 1418 CB GLU A 89 -11.605 -6.125 -13.751 1.00 0.00 C ATOM 1419 CG GLU A 89 -10.540 -5.947 -14.842 1.00 0.00 C ATOM 1420 CD GLU A 89 -9.639 -7.192 -14.950 1.00 0.00 C ATOM 1421 OE1 GLU A 89 -10.096 -8.228 -15.495 1.00 0.00 O ATOM 1422 OE2 GLU A 89 -8.464 -7.151 -14.515 1.00 0.00 O ATOM 0 H GLU A 89 -11.579 -3.858 -12.675 1.00 0.00 H new ATOM 0 HA GLU A 89 -12.969 -4.917 -14.942 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -11.141 -6.015 -12.771 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -12.009 -7.136 -13.801 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -11.025 -5.762 -15.800 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -9.930 -5.072 -14.619 1.00 0.00 H new ATOM 1429 N ARG A 90 -14.153 -5.564 -11.921 1.00 0.00 N ATOM 1430 CA ARG A 90 -15.334 -6.022 -11.175 1.00 0.00 C ATOM 1431 C ARG A 90 -16.537 -5.082 -11.305 1.00 0.00 C ATOM 1432 O ARG A 90 -17.643 -5.481 -10.942 1.00 0.00 O ATOM 1433 CB ARG A 90 -14.976 -6.239 -9.694 1.00 0.00 C ATOM 1434 CG ARG A 90 -13.871 -7.268 -9.409 1.00 0.00 C ATOM 1435 CD ARG A 90 -14.090 -8.593 -10.141 1.00 0.00 C ATOM 1436 NE ARG A 90 -13.404 -9.712 -9.469 1.00 0.00 N ATOM 1437 CZ ARG A 90 -13.728 -10.990 -9.561 1.00 0.00 C ATOM 1438 NH1 ARG A 90 -14.650 -11.420 -10.383 1.00 0.00 N ATOM 1439 NH2 ARG A 90 -13.132 -11.875 -8.816 1.00 0.00 N ATOM 0 H ARG A 90 -13.445 -5.127 -11.331 1.00 0.00 H new ATOM 0 HA ARG A 90 -15.637 -6.969 -11.622 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -14.671 -5.282 -9.271 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -15.877 -6.548 -9.165 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -12.908 -6.851 -9.703 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -13.823 -7.455 -8.336 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -15.158 -8.804 -10.199 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -13.726 -8.507 -11.165 1.00 0.00 H new ATOM 0 HE ARG A 90 -12.606 -9.478 -8.879 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -15.147 -10.761 -10.982 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -14.872 -12.415 -10.425 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -12.410 -11.584 -8.156 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -13.386 -12.860 -8.892 1.00 0.00 H new ATOM 1453 N GLU A 91 -16.342 -3.860 -11.820 1.00 0.00 N ATOM 1454 CA GLU A 91 -17.369 -2.811 -11.903 1.00 0.00 C ATOM 1455 C GLU A 91 -17.970 -2.472 -10.518 1.00 0.00 C ATOM 1456 O GLU A 91 -19.148 -2.119 -10.399 1.00 0.00 O ATOM 1457 CB GLU A 91 -18.434 -3.157 -12.970 1.00 0.00 C ATOM 1458 CG GLU A 91 -17.845 -3.620 -14.314 1.00 0.00 C ATOM 1459 CD GLU A 91 -18.945 -3.759 -15.381 1.00 0.00 C ATOM 1460 OE1 GLU A 91 -19.787 -4.686 -15.280 1.00 0.00 O ATOM 1461 OE2 GLU A 91 -18.977 -2.947 -16.337 1.00 0.00 O ATOM 0 H GLU A 91 -15.442 -3.566 -12.200 1.00 0.00 H new ATOM 0 HA GLU A 91 -16.885 -1.893 -12.237 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -19.083 -3.941 -12.580 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -19.060 -2.281 -13.142 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -17.095 -2.905 -14.652 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -17.338 -4.576 -14.183 1.00 0.00 H new ATOM 1468 N LEU A 92 -17.166 -2.625 -9.455 1.00 0.00 N ATOM 1469 CA LEU A 92 -17.571 -2.347 -8.075 1.00 0.00 C ATOM 1470 C LEU A 92 -17.670 -0.841 -7.817 1.00 0.00 C ATOM 1471 O LEU A 92 -16.850 -0.050 -8.286 1.00 0.00 O ATOM 1472 CB LEU A 92 -16.578 -2.985 -7.082 1.00 0.00 C ATOM 1473 CG LEU A 92 -16.711 -4.513 -6.982 1.00 0.00 C ATOM 1474 CD1 LEU A 92 -15.533 -5.097 -6.201 1.00 0.00 C ATOM 1475 CD2 LEU A 92 -18.001 -4.952 -6.285 1.00 0.00 C ATOM 0 H LEU A 92 -16.203 -2.950 -9.535 1.00 0.00 H new ATOM 0 HA LEU A 92 -18.558 -2.785 -7.925 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -15.561 -2.735 -7.386 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -16.732 -2.549 -6.095 1.00 0.00 H new ATOM 0 HG LEU A 92 -16.727 -4.883 -8.007 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -15.640 -6.180 -6.138 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -14.601 -4.853 -6.712 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -15.517 -4.675 -5.196 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -18.040 -6.041 -6.244 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -18.023 -4.549 -5.272 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -18.861 -4.579 -6.842 1.00 0.00 H new ATOM 1487 N ASP A 93 -18.657 -0.447 -7.018 1.00 0.00 N ATOM 1488 CA ASP A 93 -18.829 0.940 -6.595 1.00 0.00 C ATOM 1489 C ASP A 93 -18.070 1.189 -5.274 1.00 0.00 C ATOM 1490 O ASP A 93 -18.139 0.382 -4.340 1.00 0.00 O ATOM 1491 CB ASP A 93 -20.325 1.241 -6.427 1.00 0.00 C ATOM 1492 CG ASP A 93 -21.197 0.767 -7.608 1.00 0.00 C ATOM 1493 OD1 ASP A 93 -21.210 1.431 -8.671 1.00 0.00 O ATOM 1494 OD2 ASP A 93 -21.903 -0.262 -7.458 1.00 0.00 O ATOM 0 H ASP A 93 -19.362 -1.082 -6.644 1.00 0.00 H new ATOM 0 HA ASP A 93 -18.419 1.606 -7.354 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -20.680 0.766 -5.513 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -20.457 2.315 -6.300 1.00 0.00 H new ATOM 1499 N LEU A 94 -17.341 2.305 -5.169 1.00 0.00 N ATOM 1500 CA LEU A 94 -16.778 2.764 -3.897 1.00 0.00 C ATOM 1501 C LEU A 94 -17.890 3.177 -2.914 1.00 0.00 C ATOM 1502 O LEU A 94 -18.959 3.645 -3.323 1.00 0.00 O ATOM 1503 CB LEU A 94 -15.775 3.905 -4.147 1.00 0.00 C ATOM 1504 CG LEU A 94 -14.388 3.409 -4.581 1.00 0.00 C ATOM 1505 CD1 LEU A 94 -14.360 2.817 -5.987 1.00 0.00 C ATOM 1506 CD2 LEU A 94 -13.422 4.588 -4.507 1.00 0.00 C ATOM 0 H LEU A 94 -17.126 2.912 -5.960 1.00 0.00 H new ATOM 0 HA LEU A 94 -16.239 1.939 -3.431 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -16.173 4.568 -4.915 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -15.674 4.496 -3.237 1.00 0.00 H new ATOM 0 HG LEU A 94 -14.101 2.602 -3.907 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -13.348 2.489 -6.223 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -15.039 1.966 -6.037 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -14.673 3.573 -6.707 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -12.427 4.263 -4.811 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -13.764 5.381 -5.173 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -13.384 4.964 -3.485 1.00 0.00 H new ATOM 1518 N MET A 95 -17.631 3.038 -1.611 1.00 0.00 N ATOM 1519 CA MET A 95 -18.517 3.554 -0.558 1.00 0.00 C ATOM 1520 C MET A 95 -18.448 5.096 -0.454 1.00 0.00 C ATOM 1521 O MET A 95 -17.630 5.749 -1.113 1.00 0.00 O ATOM 1522 CB MET A 95 -18.197 2.843 0.772 1.00 0.00 C ATOM 1523 CG MET A 95 -19.328 2.969 1.809 1.00 0.00 C ATOM 1524 SD MET A 95 -19.733 1.476 2.763 1.00 0.00 S ATOM 1525 CE MET A 95 -18.156 1.164 3.593 1.00 0.00 C ATOM 0 H MET A 95 -16.801 2.565 -1.254 1.00 0.00 H new ATOM 0 HA MET A 95 -19.552 3.331 -0.816 1.00 0.00 H new ATOM 0 HB2 MET A 95 -18.007 1.788 0.577 1.00 0.00 H new ATOM 0 HB3 MET A 95 -17.281 3.260 1.189 1.00 0.00 H new ATOM 0 HG2 MET A 95 -19.059 3.758 2.511 1.00 0.00 H new ATOM 0 HG3 MET A 95 -20.229 3.296 1.291 1.00 0.00 H new ATOM 0 HE1 MET A 95 -18.281 0.365 4.324 1.00 0.00 H new ATOM 0 HE2 MET A 95 -17.409 0.868 2.856 1.00 0.00 H new ATOM 0 HE3 MET A 95 -17.826 2.071 4.099 1.00 0.00 H new ATOM 1535 N ARG A 96 -19.329 5.685 0.363 1.00 0.00 N ATOM 1536 CA ARG A 96 -19.448 7.135 0.599 1.00 0.00 C ATOM 1537 C ARG A 96 -19.647 7.447 2.092 1.00 0.00 C ATOM 1538 O ARG A 96 -20.043 6.566 2.857 1.00 0.00 O ATOM 1539 CB ARG A 96 -20.632 7.695 -0.213 1.00 0.00 C ATOM 1540 CG ARG A 96 -20.567 7.484 -1.735 1.00 0.00 C ATOM 1541 CD ARG A 96 -19.539 8.361 -2.460 1.00 0.00 C ATOM 1542 NE ARG A 96 -19.555 8.048 -3.897 1.00 0.00 N ATOM 1543 CZ ARG A 96 -18.805 7.162 -4.520 1.00 0.00 C ATOM 1544 NH1 ARG A 96 -17.914 6.448 -3.906 1.00 0.00 N ATOM 1545 NH2 ARG A 96 -18.952 6.978 -5.799 1.00 0.00 N ATOM 0 H ARG A 96 -20.007 5.146 0.901 1.00 0.00 H new ATOM 0 HA ARG A 96 -18.521 7.609 0.277 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -21.549 7.238 0.158 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -20.707 8.765 -0.018 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -20.336 6.437 -1.933 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -21.553 7.679 -2.158 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -19.769 9.415 -2.304 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -18.544 8.188 -2.050 1.00 0.00 H new ATOM 0 HE ARG A 96 -20.216 8.572 -4.471 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -17.773 6.561 -2.902 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -17.354 5.773 -4.427 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -19.646 7.519 -6.316 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -18.374 6.293 -6.286 1.00 0.00 H new ATOM 1559 N VAL A 97 -19.444 8.710 2.490 1.00 0.00 N ATOM 1560 CA VAL A 97 -19.635 9.186 3.886 1.00 0.00 C ATOM 1561 C VAL A 97 -20.885 10.055 4.100 1.00 0.00 C ATOM 1562 O VAL A 97 -21.392 10.130 5.218 1.00 0.00 O ATOM 1563 CB VAL A 97 -18.403 9.949 4.417 1.00 0.00 C ATOM 1564 CG1 VAL A 97 -17.100 9.169 4.250 1.00 0.00 C ATOM 1565 CG2 VAL A 97 -18.253 11.351 3.830 1.00 0.00 C ATOM 0 H VAL A 97 -19.139 9.446 1.853 1.00 0.00 H new ATOM 0 HA VAL A 97 -19.776 8.266 4.453 1.00 0.00 H new ATOM 0 HB VAL A 97 -18.598 10.060 5.484 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -16.271 9.758 4.642 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -17.167 8.228 4.796 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -16.932 8.964 3.193 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -17.366 11.828 4.248 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -18.152 11.283 2.747 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -19.134 11.944 4.075 1.00 0.00 H new ATOM 1575 N ASP A 98 -21.407 10.685 3.041 1.00 0.00 N ATOM 1576 CA ASP A 98 -22.508 11.669 3.099 1.00 0.00 C ATOM 1577 C ASP A 98 -23.834 11.101 2.548 1.00 0.00 C ATOM 1578 O ASP A 98 -24.728 11.843 2.135 1.00 0.00 O ATOM 1579 CB ASP A 98 -22.075 12.960 2.375 1.00 0.00 C ATOM 1580 CG ASP A 98 -21.030 13.769 3.161 1.00 0.00 C ATOM 1581 OD1 ASP A 98 -21.281 14.106 4.345 1.00 0.00 O ATOM 1582 OD2 ASP A 98 -19.977 14.125 2.579 1.00 0.00 O ATOM 0 H ASP A 98 -21.070 10.524 2.092 1.00 0.00 H new ATOM 0 HA ASP A 98 -22.710 11.906 4.144 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -21.667 12.702 1.398 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -22.952 13.583 2.200 1.00 0.00 H new ATOM 1587 N ASN A 99 -23.958 9.763 2.524 1.00 0.00 N ATOM 1588 CA ASN A 99 -25.068 9.008 1.901 1.00 0.00 C ATOM 1589 C ASN A 99 -25.251 9.353 0.414 1.00 0.00 C ATOM 1590 O ASN A 99 -26.344 9.279 -0.155 1.00 0.00 O ATOM 1591 CB ASN A 99 -26.341 9.084 2.775 1.00 0.00 C ATOM 1592 CG ASN A 99 -26.121 8.269 4.031 1.00 0.00 C ATOM 1593 OD1 ASN A 99 -26.620 7.160 4.191 1.00 0.00 O ATOM 1594 ND2 ASN A 99 -25.244 8.735 4.888 1.00 0.00 N ATOM 0 H ASN A 99 -23.264 9.151 2.953 1.00 0.00 H new ATOM 0 HA ASN A 99 -24.808 7.950 1.875 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -26.561 10.120 3.032 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -27.200 8.703 2.224 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -24.972 8.174 5.695 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -24.834 9.658 4.747 1.00 0.00 H new ATOM 1601 N LEU A 100 -24.128 9.723 -0.207 1.00 0.00 N ATOM 1602 CA LEU A 100 -24.012 9.936 -1.656 1.00 0.00 C ATOM 1603 C LEU A 100 -24.268 8.634 -2.454 1.00 0.00 C ATOM 1604 O LEU A 100 -24.127 7.534 -1.905 1.00 0.00 O ATOM 1605 CB LEU A 100 -22.623 10.530 -1.969 1.00 0.00 C ATOM 1606 CG LEU A 100 -22.489 12.040 -1.701 1.00 0.00 C ATOM 1607 CD1 LEU A 100 -21.021 12.442 -1.822 1.00 0.00 C ATOM 1608 CD2 LEU A 100 -23.289 12.880 -2.699 1.00 0.00 C ATOM 0 H LEU A 100 -23.254 9.887 0.292 1.00 0.00 H new ATOM 0 HA LEU A 100 -24.782 10.641 -1.970 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -21.876 10.003 -1.375 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -22.390 10.340 -3.017 1.00 0.00 H new ATOM 0 HG LEU A 100 -22.878 12.226 -0.700 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -20.920 13.511 -1.633 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -20.431 11.887 -1.093 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -20.663 12.216 -2.826 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -23.162 13.938 -2.468 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -22.931 12.684 -3.709 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -24.345 12.618 -2.631 1.00 0.00 H new ATOM 1620 N PRO A 101 -24.615 8.734 -3.752 1.00 0.00 N ATOM 1621 CA PRO A 101 -24.832 7.576 -4.614 1.00 0.00 C ATOM 1622 C PRO A 101 -23.520 6.833 -4.895 1.00 0.00 C ATOM 1623 O PRO A 101 -22.453 7.436 -5.058 1.00 0.00 O ATOM 1624 CB PRO A 101 -25.468 8.130 -5.894 1.00 0.00 C ATOM 1625 CG PRO A 101 -24.939 9.562 -5.965 1.00 0.00 C ATOM 1626 CD PRO A 101 -24.826 9.965 -4.495 1.00 0.00 C ATOM 0 HA PRO A 101 -25.481 6.838 -4.143 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -25.177 7.551 -6.770 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -26.557 8.106 -5.844 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -23.975 9.611 -6.471 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -25.619 10.216 -6.511 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -23.998 10.658 -4.344 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -25.731 10.472 -4.160 1.00 0.00 H new ATOM 1634 N ASN A 102 -23.607 5.506 -4.979 1.00 0.00 N ATOM 1635 CA ASN A 102 -22.468 4.634 -5.251 1.00 0.00 C ATOM 1636 C ASN A 102 -22.335 4.442 -6.775 1.00 0.00 C ATOM 1637 O ASN A 102 -23.272 3.975 -7.429 1.00 0.00 O ATOM 1638 CB ASN A 102 -22.654 3.300 -4.502 1.00 0.00 C ATOM 1639 CG ASN A 102 -23.101 3.479 -3.060 1.00 0.00 C ATOM 1640 OD1 ASN A 102 -24.196 3.094 -2.672 1.00 0.00 O ATOM 1641 ND2 ASN A 102 -22.282 4.083 -2.227 1.00 0.00 N ATOM 0 H ASN A 102 -24.484 5.000 -4.858 1.00 0.00 H new ATOM 0 HA ASN A 102 -21.541 5.081 -4.891 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -23.389 2.694 -5.031 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -21.714 2.748 -4.518 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -22.559 4.231 -1.257 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -21.370 4.403 -2.551 1.00 0.00 H new ATOM 1648 N ILE A 103 -21.175 4.820 -7.326 1.00 0.00 N ATOM 1649 CA ILE A 103 -20.881 4.787 -8.770 1.00 0.00 C ATOM 1650 C ILE A 103 -19.428 4.362 -9.019 1.00 0.00 C ATOM 1651 O ILE A 103 -18.483 4.975 -8.510 1.00 0.00 O ATOM 1652 CB ILE A 103 -21.204 6.134 -9.477 1.00 0.00 C ATOM 1653 CG1 ILE A 103 -20.785 7.358 -8.636 1.00 0.00 C ATOM 1654 CG2 ILE A 103 -22.698 6.203 -9.835 1.00 0.00 C ATOM 1655 CD1 ILE A 103 -20.931 8.725 -9.311 1.00 0.00 C ATOM 0 H ILE A 103 -20.394 5.166 -6.769 1.00 0.00 H new ATOM 0 HA ILE A 103 -21.540 4.040 -9.213 1.00 0.00 H new ATOM 0 HB ILE A 103 -20.615 6.168 -10.394 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -21.377 7.363 -7.720 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -19.743 7.231 -8.342 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -22.910 7.151 -10.329 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -22.950 5.380 -10.504 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -23.294 6.127 -8.926 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -20.606 9.507 -8.624 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -20.316 8.754 -10.210 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -21.975 8.889 -9.580 1.00 0.00 H new ATOM 1667 N LYS A 104 -19.272 3.281 -9.788 1.00 0.00 N ATOM 1668 CA LYS A 104 -17.999 2.751 -10.295 1.00 0.00 C ATOM 1669 C LYS A 104 -17.328 3.680 -11.318 1.00 0.00 C ATOM 1670 O LYS A 104 -17.910 4.663 -11.783 1.00 0.00 O ATOM 1671 CB LYS A 104 -18.218 1.301 -10.792 1.00 0.00 C ATOM 1672 CG LYS A 104 -19.104 1.061 -12.028 1.00 0.00 C ATOM 1673 CD LYS A 104 -18.386 1.307 -13.363 1.00 0.00 C ATOM 1674 CE LYS A 104 -19.042 0.608 -14.565 1.00 0.00 C ATOM 1675 NZ LYS A 104 -20.457 1.010 -14.782 1.00 0.00 N ATOM 0 H LYS A 104 -20.070 2.722 -10.090 1.00 0.00 H new ATOM 0 HA LYS A 104 -17.275 2.714 -9.481 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -17.238 0.874 -11.002 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -18.644 0.731 -9.966 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -19.470 0.035 -12.007 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -19.976 1.712 -11.970 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -18.353 2.380 -13.553 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -17.354 0.967 -13.277 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -18.467 0.831 -15.464 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -18.997 -0.471 -14.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -20.839 0.503 -15.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -21.018 0.773 -13.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -20.504 2.035 -14.953 1.00 0.00 H new ATOM 1689 N ILE A 105 -16.085 3.354 -11.666 1.00 0.00 N ATOM 1690 CA ILE A 105 -15.244 4.100 -12.618 1.00 0.00 C ATOM 1691 C ILE A 105 -15.902 4.115 -14.010 1.00 0.00 C ATOM 1692 O ILE A 105 -16.117 3.067 -14.620 1.00 0.00 O ATOM 1693 CB ILE A 105 -13.856 3.419 -12.710 1.00 0.00 C ATOM 1694 CG1 ILE A 105 -13.148 3.238 -11.347 1.00 0.00 C ATOM 1695 CG2 ILE A 105 -12.925 4.175 -13.673 1.00 0.00 C ATOM 1696 CD1 ILE A 105 -12.381 1.926 -11.253 1.00 0.00 C ATOM 0 H ILE A 105 -15.613 2.535 -11.283 1.00 0.00 H new ATOM 0 HA ILE A 105 -15.132 5.127 -12.270 1.00 0.00 H new ATOM 0 HB ILE A 105 -14.061 2.420 -13.096 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -12.460 4.068 -11.186 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -13.889 3.279 -10.549 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -11.959 3.672 -13.715 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -13.368 4.193 -14.669 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -12.787 5.196 -13.319 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -11.904 1.852 -10.276 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -13.070 1.092 -11.384 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -11.619 1.893 -12.032 1.00 0.00 H new ATOM 1708 N ALA A 106 -16.198 5.306 -14.524 1.00 0.00 N ATOM 1709 CA ALA A 106 -16.789 5.495 -15.852 1.00 0.00 C ATOM 1710 C ALA A 106 -15.799 5.134 -16.968 1.00 0.00 C ATOM 1711 O ALA A 106 -16.137 4.393 -17.894 1.00 0.00 O ATOM 1712 CB ALA A 106 -17.230 6.955 -15.987 1.00 0.00 C ATOM 0 H ALA A 106 -16.033 6.181 -14.026 1.00 0.00 H new ATOM 0 HA ALA A 106 -17.647 4.830 -15.954 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -17.672 7.112 -16.971 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -17.966 7.185 -15.217 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -16.366 7.609 -15.869 1.00 0.00 H new ATOM 1718 N THR A 107 -14.569 5.640 -16.846 1.00 0.00 N ATOM 1719 CA THR A 107 -13.461 5.427 -17.795 1.00 0.00 C ATOM 1720 C THR A 107 -12.108 5.526 -17.089 1.00 0.00 C ATOM 1721 O THR A 107 -11.952 6.262 -16.108 1.00 0.00 O ATOM 1722 CB THR A 107 -13.473 6.440 -18.966 1.00 0.00 C ATOM 1723 OG1 THR A 107 -13.767 7.760 -18.545 1.00 0.00 O ATOM 1724 CG2 THR A 107 -14.487 6.078 -20.050 1.00 0.00 C ATOM 0 H THR A 107 -14.303 6.230 -16.058 1.00 0.00 H new ATOM 0 HA THR A 107 -13.606 4.425 -18.200 1.00 0.00 H new ATOM 0 HB THR A 107 -12.461 6.392 -19.369 1.00 0.00 H new ATOM 0 HG1 THR A 107 -13.761 8.360 -19.320 1.00 0.00 H new ATOM 0 HG21 THR A 107 -14.451 6.823 -20.845 1.00 0.00 H new ATOM 0 HG22 THR A 107 -14.246 5.097 -20.460 1.00 0.00 H new ATOM 0 HG23 THR A 107 -15.488 6.055 -19.619 1.00 0.00 H new ATOM 1732 N ARG A 108 -11.117 4.815 -17.636 1.00 0.00 N ATOM 1733 CA ARG A 108 -9.730 4.751 -17.154 1.00 0.00 C ATOM 1734 C ARG A 108 -8.761 4.941 -18.320 1.00 0.00 C ATOM 1735 O ARG A 108 -8.978 4.405 -19.408 1.00 0.00 O ATOM 1736 CB ARG A 108 -9.534 3.412 -16.414 1.00 0.00 C ATOM 1737 CG ARG A 108 -8.081 3.022 -16.077 1.00 0.00 C ATOM 1738 CD ARG A 108 -7.366 2.316 -17.243 1.00 0.00 C ATOM 1739 NE ARG A 108 -6.339 1.361 -16.779 1.00 0.00 N ATOM 1740 CZ ARG A 108 -5.762 0.421 -17.509 1.00 0.00 C ATOM 1741 NH1 ARG A 108 -6.021 0.257 -18.777 1.00 0.00 N ATOM 1742 NH2 ARG A 108 -4.894 -0.386 -16.973 1.00 0.00 N ATOM 0 H ARG A 108 -11.265 4.241 -18.466 1.00 0.00 H new ATOM 0 HA ARG A 108 -9.520 5.557 -16.451 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -10.102 3.449 -15.485 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -9.969 2.619 -17.022 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -7.523 3.918 -15.804 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -8.078 2.367 -15.206 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -8.101 1.788 -17.850 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -6.900 3.063 -17.885 1.00 0.00 H new ATOM 0 HE ARG A 108 -6.047 1.433 -15.804 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -6.692 0.867 -19.244 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -5.552 -0.481 -19.302 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -4.656 -0.296 -15.985 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -4.452 -1.109 -17.540 1.00 0.00 H new ATOM 1756 N LYS A 109 -7.670 5.661 -18.053 1.00 0.00 N ATOM 1757 CA LYS A 109 -6.558 5.948 -18.982 1.00 0.00 C ATOM 1758 C LYS A 109 -5.270 6.153 -18.187 1.00 0.00 C ATOM 1759 O LYS A 109 -5.262 6.871 -17.190 1.00 0.00 O ATOM 1760 CB LYS A 109 -6.868 7.227 -19.800 1.00 0.00 C ATOM 1761 CG LYS A 109 -7.506 6.965 -21.176 1.00 0.00 C ATOM 1762 CD LYS A 109 -6.522 6.809 -22.348 1.00 0.00 C ATOM 1763 CE LYS A 109 -5.672 5.533 -22.265 1.00 0.00 C ATOM 1764 NZ LYS A 109 -4.986 5.245 -23.554 1.00 0.00 N ATOM 0 H LYS A 109 -7.524 6.085 -17.137 1.00 0.00 H new ATOM 0 HA LYS A 109 -6.438 5.107 -19.665 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -7.536 7.862 -19.219 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -5.943 7.785 -19.943 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -8.110 6.060 -21.110 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -8.186 7.786 -21.403 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -7.081 6.804 -23.284 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -5.861 7.676 -22.376 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -4.930 5.641 -21.474 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -6.307 4.689 -21.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -4.422 4.377 -23.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -5.695 5.118 -24.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -4.361 6.039 -23.800 1.00 0.00 H new ATOM 1778 N TYR A 110 -4.178 5.540 -18.636 1.00 0.00 N ATOM 1779 CA TYR A 110 -2.846 5.823 -18.091 1.00 0.00 C ATOM 1780 C TYR A 110 -2.430 7.271 -18.394 1.00 0.00 C ATOM 1781 O TYR A 110 -2.575 7.730 -19.533 1.00 0.00 O ATOM 1782 CB TYR A 110 -1.812 4.843 -18.663 1.00 0.00 C ATOM 1783 CG TYR A 110 -0.419 4.991 -18.068 1.00 0.00 C ATOM 1784 CD1 TYR A 110 -0.254 5.108 -16.676 1.00 0.00 C ATOM 1785 CD2 TYR A 110 0.717 5.024 -18.903 1.00 0.00 C ATOM 1786 CE1 TYR A 110 1.024 5.269 -16.121 1.00 0.00 C ATOM 1787 CE2 TYR A 110 2.007 5.144 -18.346 1.00 0.00 C ATOM 1788 CZ TYR A 110 2.163 5.262 -16.948 1.00 0.00 C ATOM 1789 OH TYR A 110 3.401 5.381 -16.395 1.00 0.00 O ATOM 0 H TYR A 110 -4.186 4.841 -19.379 1.00 0.00 H new ATOM 0 HA TYR A 110 -2.887 5.696 -17.009 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -2.161 3.824 -18.494 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -1.751 4.985 -19.742 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -1.118 5.074 -16.029 1.00 0.00 H new ATOM 0 HD2 TYR A 110 0.598 4.957 -19.974 1.00 0.00 H new ATOM 0 HE1 TYR A 110 1.135 5.399 -15.055 1.00 0.00 H new ATOM 0 HE2 TYR A 110 2.875 5.146 -18.989 1.00 0.00 H new ATOM 0 HH TYR A 110 4.079 5.357 -17.102 1.00 0.00 H new ATOM 1799 N LEU A 111 -1.905 7.985 -17.393 1.00 0.00 N ATOM 1800 CA LEU A 111 -1.452 9.373 -17.552 1.00 0.00 C ATOM 1801 C LEU A 111 0.069 9.467 -17.697 1.00 0.00 C ATOM 1802 O LEU A 111 0.574 10.237 -18.519 1.00 0.00 O ATOM 1803 CB LEU A 111 -1.889 10.170 -16.315 1.00 0.00 C ATOM 1804 CG LEU A 111 -3.411 10.296 -16.174 1.00 0.00 C ATOM 1805 CD1 LEU A 111 -3.738 10.797 -14.776 1.00 0.00 C ATOM 1806 CD2 LEU A 111 -3.979 11.272 -17.202 1.00 0.00 C ATOM 0 H LEU A 111 -1.782 7.618 -16.449 1.00 0.00 H new ATOM 0 HA LEU A 111 -1.896 9.777 -18.461 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -1.488 9.689 -15.423 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -1.453 11.168 -16.363 1.00 0.00 H new ATOM 0 HG LEU A 111 -3.859 9.317 -16.344 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -4.818 10.890 -14.666 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -3.358 10.091 -14.038 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -3.273 11.770 -14.620 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -5.060 11.342 -17.079 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -3.533 12.256 -17.055 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -3.750 10.916 -18.207 1.00 0.00 H new ATOM 1818 N GLY A 112 0.789 8.698 -16.881 1.00 0.00 N ATOM 1819 CA GLY A 112 2.244 8.746 -16.763 1.00 0.00 C ATOM 1820 C GLY A 112 2.704 8.544 -15.317 1.00 0.00 C ATOM 1821 O GLY A 112 2.033 7.883 -14.522 1.00 0.00 O ATOM 0 H GLY A 112 0.363 8.005 -16.266 1.00 0.00 H new ATOM 0 HA2 GLY A 112 2.686 7.976 -17.396 1.00 0.00 H new ATOM 0 HA3 GLY A 112 2.607 9.706 -17.129 1.00 0.00 H new ATOM 1825 N LYS A 113 3.841 9.146 -14.960 1.00 0.00 N ATOM 1826 CA LYS A 113 4.544 8.915 -13.687 1.00 0.00 C ATOM 1827 C LYS A 113 4.738 10.219 -12.910 1.00 0.00 C ATOM 1828 O LYS A 113 5.618 11.028 -13.208 1.00 0.00 O ATOM 1829 CB LYS A 113 5.877 8.205 -13.954 1.00 0.00 C ATOM 1830 CG LYS A 113 6.374 7.463 -12.703 1.00 0.00 C ATOM 1831 CD LYS A 113 7.873 7.133 -12.778 1.00 0.00 C ATOM 1832 CE LYS A 113 8.214 6.029 -13.787 1.00 0.00 C ATOM 1833 NZ LYS A 113 8.068 4.671 -13.193 1.00 0.00 N ATOM 0 H LYS A 113 4.313 9.824 -15.559 1.00 0.00 H new ATOM 0 HA LYS A 113 3.931 8.269 -13.059 1.00 0.00 H new ATOM 0 HB2 LYS A 113 5.757 7.498 -14.775 1.00 0.00 H new ATOM 0 HB3 LYS A 113 6.624 8.934 -14.268 1.00 0.00 H new ATOM 0 HG2 LYS A 113 6.182 8.074 -11.821 1.00 0.00 H new ATOM 0 HG3 LYS A 113 5.807 6.540 -12.581 1.00 0.00 H new ATOM 0 HD2 LYS A 113 8.422 8.037 -13.043 1.00 0.00 H new ATOM 0 HD3 LYS A 113 8.218 6.829 -11.790 1.00 0.00 H new ATOM 0 HE2 LYS A 113 7.562 6.117 -14.656 1.00 0.00 H new ATOM 0 HE3 LYS A 113 9.236 6.163 -14.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 8.307 3.953 -13.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 8.708 4.578 -12.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 7.086 4.533 -12.879 1.00 0.00 H new ATOM 1847 N GLN A 114 3.869 10.422 -11.927 1.00 0.00 N ATOM 1848 CA GLN A 114 3.732 11.665 -11.162 1.00 0.00 C ATOM 1849 C GLN A 114 4.108 11.420 -9.700 1.00 0.00 C ATOM 1850 O GLN A 114 3.999 10.301 -9.193 1.00 0.00 O ATOM 1851 CB GLN A 114 2.301 12.214 -11.271 1.00 0.00 C ATOM 1852 CG GLN A 114 1.861 12.055 -12.723 1.00 0.00 C ATOM 1853 CD GLN A 114 0.576 12.724 -13.109 1.00 0.00 C ATOM 1854 OE1 GLN A 114 0.177 13.787 -12.646 1.00 0.00 O ATOM 1855 NE2 GLN A 114 -0.046 12.141 -14.098 1.00 0.00 N ATOM 0 H GLN A 114 3.214 9.701 -11.626 1.00 0.00 H new ATOM 0 HA GLN A 114 4.410 12.410 -11.578 1.00 0.00 H new ATOM 0 HB2 GLN A 114 1.630 11.672 -10.605 1.00 0.00 H new ATOM 0 HB3 GLN A 114 2.268 13.262 -10.972 1.00 0.00 H new ATOM 0 HG2 GLN A 114 2.653 12.442 -13.364 1.00 0.00 H new ATOM 0 HG3 GLN A 114 1.769 10.990 -12.937 1.00 0.00 H new ATOM 0 HE21 GLN A 114 0.302 11.257 -14.469 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -0.880 12.570 -14.500 1.00 0.00 H new ATOM 1864 N ASN A 115 4.526 12.469 -8.999 1.00 0.00 N ATOM 1865 CA ASN A 115 4.769 12.426 -7.578 1.00 0.00 C ATOM 1866 C ASN A 115 3.460 12.147 -6.826 1.00 0.00 C ATOM 1867 O ASN A 115 2.528 12.954 -6.866 1.00 0.00 O ATOM 1868 CB ASN A 115 5.432 13.753 -7.162 1.00 0.00 C ATOM 1869 CG ASN A 115 6.429 13.532 -6.051 1.00 0.00 C ATOM 1870 OD1 ASN A 115 7.540 14.045 -6.062 1.00 0.00 O ATOM 1871 ND2 ASN A 115 6.100 12.708 -5.087 1.00 0.00 N ATOM 0 H ASN A 115 4.705 13.382 -9.417 1.00 0.00 H new ATOM 0 HA ASN A 115 5.447 11.612 -7.319 1.00 0.00 H new ATOM 0 HB2 ASN A 115 5.932 14.199 -8.021 1.00 0.00 H new ATOM 0 HB3 ASN A 115 4.668 14.459 -6.836 1.00 0.00 H new ATOM 0 HD21 ASN A 115 6.769 12.495 -4.347 1.00 0.00 H new ATOM 0 HD22 ASN A 115 5.174 12.279 -5.076 1.00 0.00 H new ATOM 1878 N VAL A 116 3.403 11.007 -6.128 1.00 0.00 N ATOM 1879 CA VAL A 116 2.221 10.585 -5.363 1.00 0.00 C ATOM 1880 C VAL A 116 2.573 10.372 -3.887 1.00 0.00 C ATOM 1881 O VAL A 116 3.708 10.023 -3.545 1.00 0.00 O ATOM 1882 CB VAL A 116 1.569 9.335 -5.985 1.00 0.00 C ATOM 1883 CG1 VAL A 116 0.892 9.629 -7.323 1.00 0.00 C ATOM 1884 CG2 VAL A 116 2.562 8.188 -6.195 1.00 0.00 C ATOM 0 H VAL A 116 4.179 10.347 -6.077 1.00 0.00 H new ATOM 0 HA VAL A 116 1.483 11.386 -5.410 1.00 0.00 H new ATOM 0 HB VAL A 116 0.817 9.030 -5.257 1.00 0.00 H new ATOM 0 HG11 VAL A 116 0.450 8.714 -7.716 1.00 0.00 H new ATOM 0 HG12 VAL A 116 0.112 10.377 -7.180 1.00 0.00 H new ATOM 0 HG13 VAL A 116 1.631 10.007 -8.029 1.00 0.00 H new ATOM 0 HG21 VAL A 116 2.045 7.335 -6.636 1.00 0.00 H new ATOM 0 HG22 VAL A 116 3.359 8.514 -6.863 1.00 0.00 H new ATOM 0 HG23 VAL A 116 2.990 7.897 -5.236 1.00 0.00 H new ATOM 1894 N TYR A 117 1.583 10.583 -3.021 1.00 0.00 N ATOM 1895 CA TYR A 117 1.728 10.630 -1.567 1.00 0.00 C ATOM 1896 C TYR A 117 0.566 9.916 -0.855 1.00 0.00 C ATOM 1897 O TYR A 117 -0.526 9.771 -1.411 1.00 0.00 O ATOM 1898 CB TYR A 117 1.779 12.098 -1.130 1.00 0.00 C ATOM 1899 CG TYR A 117 2.640 13.013 -1.981 1.00 0.00 C ATOM 1900 CD1 TYR A 117 3.999 13.208 -1.670 1.00 0.00 C ATOM 1901 CD2 TYR A 117 2.064 13.688 -3.077 1.00 0.00 C ATOM 1902 CE1 TYR A 117 4.769 14.114 -2.424 1.00 0.00 C ATOM 1903 CE2 TYR A 117 2.836 14.587 -3.837 1.00 0.00 C ATOM 1904 CZ TYR A 117 4.183 14.825 -3.491 1.00 0.00 C ATOM 1905 OH TYR A 117 4.917 15.737 -4.186 1.00 0.00 O ATOM 0 H TYR A 117 0.621 10.732 -3.325 1.00 0.00 H new ATOM 0 HA TYR A 117 2.647 10.113 -1.291 1.00 0.00 H new ATOM 0 HB2 TYR A 117 0.762 12.491 -1.123 1.00 0.00 H new ATOM 0 HB3 TYR A 117 2.143 12.139 -0.104 1.00 0.00 H new ATOM 0 HD1 TYR A 117 4.450 12.663 -0.854 1.00 0.00 H new ATOM 0 HD2 TYR A 117 1.029 13.515 -3.334 1.00 0.00 H new ATOM 0 HE1 TYR A 117 5.811 14.265 -2.184 1.00 0.00 H new ATOM 0 HE2 TYR A 117 2.398 15.094 -4.684 1.00 0.00 H new ATOM 0 HH TYR A 117 4.363 16.136 -4.889 1.00 0.00 H new ATOM 1915 N ASP A 118 0.803 9.464 0.375 1.00 0.00 N ATOM 1916 CA ASP A 118 -0.128 8.651 1.161 1.00 0.00 C ATOM 1917 C ASP A 118 0.193 8.781 2.659 1.00 0.00 C ATOM 1918 O ASP A 118 1.307 8.491 3.087 1.00 0.00 O ATOM 1919 CB ASP A 118 0.007 7.191 0.710 1.00 0.00 C ATOM 1920 CG ASP A 118 -0.760 6.228 1.628 1.00 0.00 C ATOM 1921 OD1 ASP A 118 -1.998 6.391 1.764 1.00 0.00 O ATOM 1922 OD2 ASP A 118 -0.129 5.304 2.188 1.00 0.00 O ATOM 0 H ASP A 118 1.674 9.658 0.869 1.00 0.00 H new ATOM 0 HA ASP A 118 -1.151 8.993 1.003 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -0.364 7.092 -0.310 1.00 0.00 H new ATOM 0 HB3 ASP A 118 1.061 6.913 0.694 1.00 0.00 H new ATOM 1927 N ILE A 119 -0.754 9.234 3.479 1.00 0.00 N ATOM 1928 CA ILE A 119 -0.567 9.268 4.937 1.00 0.00 C ATOM 1929 C ILE A 119 -0.816 7.889 5.570 1.00 0.00 C ATOM 1930 O ILE A 119 -1.712 7.146 5.160 1.00 0.00 O ATOM 1931 CB ILE A 119 -1.431 10.361 5.592 1.00 0.00 C ATOM 1932 CG1 ILE A 119 -2.920 10.249 5.208 1.00 0.00 C ATOM 1933 CG2 ILE A 119 -0.842 11.735 5.228 1.00 0.00 C ATOM 1934 CD1 ILE A 119 -3.828 11.126 6.064 1.00 0.00 C ATOM 0 H ILE A 119 -1.659 9.583 3.164 1.00 0.00 H new ATOM 0 HA ILE A 119 0.475 9.525 5.126 1.00 0.00 H new ATOM 0 HB ILE A 119 -1.405 10.230 6.674 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -3.040 10.526 4.161 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -3.236 9.210 5.301 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -1.443 12.521 5.685 1.00 0.00 H new ATOM 0 HG22 ILE A 119 0.182 11.801 5.596 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -0.847 11.858 4.145 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -4.862 11.001 5.743 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -3.735 10.834 7.110 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -3.537 12.170 5.951 1.00 0.00 H new ATOM 1946 N GLY A 120 -0.038 7.553 6.603 1.00 0.00 N ATOM 1947 CA GLY A 120 -0.207 6.330 7.388 1.00 0.00 C ATOM 1948 C GLY A 120 -1.013 6.581 8.665 1.00 0.00 C ATOM 1949 O GLY A 120 -1.030 7.692 9.203 1.00 0.00 O ATOM 0 H GLY A 120 0.738 8.133 6.921 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -0.710 5.576 6.783 1.00 0.00 H new ATOM 0 HA3 GLY A 120 0.772 5.928 7.649 1.00 0.00 H new ATOM 1953 N VAL A 121 -1.675 5.534 9.160 1.00 0.00 N ATOM 1954 CA VAL A 121 -2.622 5.583 10.292 1.00 0.00 C ATOM 1955 C VAL A 121 -2.554 4.267 11.083 1.00 0.00 C ATOM 1956 O VAL A 121 -2.390 3.199 10.492 1.00 0.00 O ATOM 1957 CB VAL A 121 -4.061 5.790 9.782 1.00 0.00 C ATOM 1958 CG1 VAL A 121 -5.014 6.100 10.941 1.00 0.00 C ATOM 1959 CG2 VAL A 121 -4.228 6.913 8.749 1.00 0.00 C ATOM 0 H VAL A 121 -1.568 4.595 8.777 1.00 0.00 H new ATOM 0 HA VAL A 121 -2.347 6.418 10.937 1.00 0.00 H new ATOM 0 HB VAL A 121 -4.301 4.846 9.293 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -6.023 6.242 10.554 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -5.010 5.270 11.648 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -4.688 7.009 11.447 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -5.274 6.981 8.451 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -3.913 7.860 9.187 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -3.615 6.697 7.874 1.00 0.00 H new ATOM 2037 N ASN A 126 -7.065 4.042 6.576 1.00 0.00 N ATOM 2038 CA ASN A 126 -7.942 4.778 5.665 1.00 0.00 C ATOM 2039 C ASN A 126 -8.114 6.263 6.069 1.00 0.00 C ATOM 2040 O ASN A 126 -7.671 6.694 7.136 1.00 0.00 O ATOM 2041 CB ASN A 126 -9.291 4.036 5.582 1.00 0.00 C ATOM 2042 CG ASN A 126 -10.161 4.126 6.831 1.00 0.00 C ATOM 2043 OD1 ASN A 126 -9.766 4.545 7.909 1.00 0.00 O ATOM 2044 ND2 ASN A 126 -11.419 3.772 6.711 1.00 0.00 N ATOM 0 HA ASN A 126 -7.482 4.808 4.677 1.00 0.00 H new ATOM 0 HB2 ASN A 126 -9.854 4.433 4.737 1.00 0.00 H new ATOM 0 HB3 ASN A 126 -9.096 2.985 5.369 1.00 0.00 H new ATOM 0 HD21 ASN A 126 -12.049 3.849 7.510 1.00 0.00 H new ATOM 0 HD22 ASN A 126 -11.767 3.420 5.819 1.00 0.00 H new ATOM 2051 N PHE A 127 -8.758 7.047 5.197 1.00 0.00 N ATOM 2052 CA PHE A 127 -9.060 8.475 5.400 1.00 0.00 C ATOM 2053 C PHE A 127 -10.091 8.968 4.369 1.00 0.00 C ATOM 2054 O PHE A 127 -10.165 8.453 3.248 1.00 0.00 O ATOM 2055 CB PHE A 127 -7.772 9.323 5.310 1.00 0.00 C ATOM 2056 CG PHE A 127 -6.862 8.993 4.139 1.00 0.00 C ATOM 2057 CD1 PHE A 127 -7.132 9.515 2.860 1.00 0.00 C ATOM 2058 CD2 PHE A 127 -5.761 8.134 4.321 1.00 0.00 C ATOM 2059 CE1 PHE A 127 -6.323 9.158 1.769 1.00 0.00 C ATOM 2060 CE2 PHE A 127 -4.950 7.780 3.229 1.00 0.00 C ATOM 2061 CZ PHE A 127 -5.235 8.287 1.950 1.00 0.00 C ATOM 0 H PHE A 127 -9.096 6.697 4.300 1.00 0.00 H new ATOM 0 HA PHE A 127 -9.485 8.590 6.397 1.00 0.00 H new ATOM 0 HB2 PHE A 127 -8.052 10.375 5.247 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -7.208 9.198 6.234 1.00 0.00 H new ATOM 0 HD1 PHE A 127 -7.962 10.191 2.717 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -5.539 7.746 5.304 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -6.538 9.554 0.787 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -4.108 7.119 3.373 1.00 0.00 H new ATOM 0 HZ PHE A 127 -4.619 8.008 1.108 1.00 0.00 H new ATOM 2071 N ALA A 128 -10.888 9.970 4.745 1.00 0.00 N ATOM 2072 CA ALA A 128 -11.924 10.547 3.895 1.00 0.00 C ATOM 2073 C ALA A 128 -11.366 11.629 2.942 1.00 0.00 C ATOM 2074 O ALA A 128 -10.525 12.444 3.334 1.00 0.00 O ATOM 2075 CB ALA A 128 -13.045 11.117 4.771 1.00 0.00 C ATOM 0 H ALA A 128 -10.828 10.408 5.664 1.00 0.00 H new ATOM 0 HA ALA A 128 -12.323 9.753 3.264 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -13.819 11.548 4.136 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -13.475 10.319 5.377 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -12.639 11.890 5.424 1.00 0.00 H new ATOM 2081 N LEU A 129 -11.877 11.677 1.706 1.00 0.00 N ATOM 2082 CA LEU A 129 -11.522 12.682 0.692 1.00 0.00 C ATOM 2083 C LEU A 129 -12.604 13.776 0.556 1.00 0.00 C ATOM 2084 O LEU A 129 -13.727 13.630 1.044 1.00 0.00 O ATOM 2085 CB LEU A 129 -11.313 12.004 -0.682 1.00 0.00 C ATOM 2086 CG LEU A 129 -10.481 10.707 -0.743 1.00 0.00 C ATOM 2087 CD1 LEU A 129 -10.337 10.238 -2.193 1.00 0.00 C ATOM 2088 CD2 LEU A 129 -9.079 10.882 -0.192 1.00 0.00 C ATOM 0 H LEU A 129 -12.566 11.002 1.373 1.00 0.00 H new ATOM 0 HA LEU A 129 -10.597 13.156 1.021 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -12.297 11.787 -1.098 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -10.842 12.732 -1.343 1.00 0.00 H new ATOM 0 HG LEU A 129 -11.017 9.979 -0.134 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -9.748 9.322 -2.222 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -11.324 10.048 -2.614 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -9.836 11.010 -2.777 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -8.540 9.937 -0.261 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -8.553 11.642 -0.770 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -9.134 11.193 0.851 1.00 0.00 H new ATOM 2100 N LYS A 130 -12.295 14.835 -0.208 1.00 0.00 N ATOM 2101 CA LYS A 130 -13.198 15.971 -0.517 1.00 0.00 C ATOM 2102 C LYS A 130 -14.568 15.640 -1.145 1.00 0.00 C ATOM 2103 O LYS A 130 -15.480 16.464 -1.079 1.00 0.00 O ATOM 2104 CB LYS A 130 -12.433 17.033 -1.335 1.00 0.00 C ATOM 2105 CG LYS A 130 -12.445 16.898 -2.868 1.00 0.00 C ATOM 2106 CD LYS A 130 -11.876 15.600 -3.460 1.00 0.00 C ATOM 2107 CE LYS A 130 -10.350 15.497 -3.405 1.00 0.00 C ATOM 2108 NZ LYS A 130 -9.903 14.185 -3.965 1.00 0.00 N ATOM 0 H LYS A 130 -11.379 14.934 -0.646 1.00 0.00 H new ATOM 0 HA LYS A 130 -13.488 16.362 0.458 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -12.842 18.011 -1.081 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -11.394 17.026 -1.006 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -13.475 17.002 -3.209 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -11.885 17.735 -3.286 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -12.305 14.752 -2.925 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -12.197 15.517 -4.498 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -9.902 16.314 -3.970 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -10.008 15.597 -2.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -8.864 14.152 -3.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -10.262 13.412 -3.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -10.272 14.076 -4.931 1.00 0.00 H new ATOM 2122 N ASN A 131 -14.723 14.448 -1.733 1.00 0.00 N ATOM 2123 CA ASN A 131 -15.956 13.968 -2.385 1.00 0.00 C ATOM 2124 C ASN A 131 -16.732 12.944 -1.527 1.00 0.00 C ATOM 2125 O ASN A 131 -17.643 12.276 -2.022 1.00 0.00 O ATOM 2126 CB ASN A 131 -15.596 13.393 -3.776 1.00 0.00 C ATOM 2127 CG ASN A 131 -15.330 14.458 -4.826 1.00 0.00 C ATOM 2128 OD1 ASN A 131 -14.261 14.535 -5.412 1.00 0.00 O ATOM 2129 ND2 ASN A 131 -16.295 15.302 -5.120 1.00 0.00 N ATOM 0 H ASN A 131 -13.968 13.763 -1.771 1.00 0.00 H new ATOM 0 HA ASN A 131 -16.632 14.815 -2.503 1.00 0.00 H new ATOM 0 HB2 ASN A 131 -14.713 12.761 -3.681 1.00 0.00 H new ATOM 0 HB3 ASN A 131 -16.411 12.754 -4.117 1.00 0.00 H new ATOM 0 HD21 ASN A 131 -16.148 16.016 -5.834 1.00 0.00 H new ATOM 0 HD22 ASN A 131 -17.190 15.243 -4.634 1.00 0.00 H new ATOM 2136 N GLY A 132 -16.363 12.780 -0.253 1.00 0.00 N ATOM 2137 CA GLY A 132 -16.958 11.778 0.634 1.00 0.00 C ATOM 2138 C GLY A 132 -16.472 10.352 0.370 1.00 0.00 C ATOM 2139 O GLY A 132 -17.174 9.407 0.706 1.00 0.00 O ATOM 0 H GLY A 132 -15.639 13.342 0.194 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -16.734 12.043 1.667 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -18.042 11.808 0.525 1.00 0.00 H new ATOM 2143 N PHE A 133 -15.309 10.191 -0.266 1.00 0.00 N ATOM 2144 CA PHE A 133 -14.676 8.901 -0.582 1.00 0.00 C ATOM 2145 C PHE A 133 -13.796 8.399 0.564 1.00 0.00 C ATOM 2146 O PHE A 133 -13.392 9.193 1.408 1.00 0.00 O ATOM 2147 CB PHE A 133 -13.774 9.098 -1.805 1.00 0.00 C ATOM 2148 CG PHE A 133 -14.421 8.889 -3.148 1.00 0.00 C ATOM 2149 CD1 PHE A 133 -15.696 9.408 -3.447 1.00 0.00 C ATOM 2150 CD2 PHE A 133 -13.688 8.207 -4.130 1.00 0.00 C ATOM 2151 CE1 PHE A 133 -16.240 9.231 -4.728 1.00 0.00 C ATOM 2152 CE2 PHE A 133 -14.234 8.036 -5.404 1.00 0.00 C ATOM 2153 CZ PHE A 133 -15.509 8.529 -5.699 1.00 0.00 C ATOM 0 H PHE A 133 -14.758 10.986 -0.589 1.00 0.00 H new ATOM 0 HA PHE A 133 -15.466 8.172 -0.761 1.00 0.00 H new ATOM 0 HB2 PHE A 133 -13.370 10.110 -1.773 1.00 0.00 H new ATOM 0 HB3 PHE A 133 -12.929 8.414 -1.721 1.00 0.00 H new ATOM 0 HD1 PHE A 133 -16.254 9.941 -2.691 1.00 0.00 H new ATOM 0 HD2 PHE A 133 -12.707 7.816 -3.902 1.00 0.00 H new ATOM 0 HE1 PHE A 133 -17.214 9.632 -4.965 1.00 0.00 H new ATOM 0 HE2 PHE A 133 -13.668 7.520 -6.166 1.00 0.00 H new ATOM 0 HZ PHE A 133 -15.933 8.369 -6.679 1.00 0.00 H new ATOM 2163 N ILE A 134 -13.438 7.110 0.548 1.00 0.00 N ATOM 2164 CA ILE A 134 -12.557 6.473 1.537 1.00 0.00 C ATOM 2165 C ILE A 134 -11.504 5.636 0.800 1.00 0.00 C ATOM 2166 O ILE A 134 -11.769 4.522 0.337 1.00 0.00 O ATOM 2167 CB ILE A 134 -13.342 5.627 2.568 1.00 0.00 C ATOM 2168 CG1 ILE A 134 -14.492 6.359 3.291 1.00 0.00 C ATOM 2169 CG2 ILE A 134 -12.381 5.095 3.643 1.00 0.00 C ATOM 2170 CD1 ILE A 134 -15.758 6.542 2.446 1.00 0.00 C ATOM 0 H ILE A 134 -13.761 6.463 -0.171 1.00 0.00 H new ATOM 0 HA ILE A 134 -12.060 7.253 2.114 1.00 0.00 H new ATOM 0 HB ILE A 134 -13.798 4.832 1.977 1.00 0.00 H new ATOM 0 HG12 ILE A 134 -14.749 5.804 4.193 1.00 0.00 H new ATOM 0 HG13 ILE A 134 -14.138 7.339 3.610 1.00 0.00 H new ATOM 0 HG21 ILE A 134 -12.938 4.500 4.367 1.00 0.00 H new ATOM 0 HG22 ILE A 134 -11.618 4.474 3.174 1.00 0.00 H new ATOM 0 HG23 ILE A 134 -11.905 5.933 4.152 1.00 0.00 H new ATOM 0 HD11 ILE A 134 -16.514 7.065 3.032 1.00 0.00 H new ATOM 0 HD12 ILE A 134 -15.520 7.125 1.556 1.00 0.00 H new ATOM 0 HD13 ILE A 134 -16.141 5.566 2.148 1.00 0.00 H new ATOM 2182 N ALA A 135 -10.300 6.187 0.679 1.00 0.00 N ATOM 2183 CA ALA A 135 -9.135 5.463 0.185 1.00 0.00 C ATOM 2184 C ALA A 135 -8.506 4.687 1.357 1.00 0.00 C ATOM 2185 O ALA A 135 -8.600 5.120 2.509 1.00 0.00 O ATOM 2186 CB ALA A 135 -8.169 6.475 -0.443 1.00 0.00 C ATOM 0 H ALA A 135 -10.105 7.158 0.924 1.00 0.00 H new ATOM 0 HA ALA A 135 -9.401 4.737 -0.583 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -7.289 5.953 -0.819 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -8.665 6.990 -1.266 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -7.865 7.203 0.309 1.00 0.00 H new ATOM 2192 N SER A 136 -7.877 3.542 1.082 1.00 0.00 N ATOM 2193 CA SER A 136 -7.285 2.675 2.114 1.00 0.00 C ATOM 2194 C SER A 136 -5.945 2.070 1.674 1.00 0.00 C ATOM 2195 O SER A 136 -5.750 1.718 0.508 1.00 0.00 O ATOM 2196 CB SER A 136 -8.296 1.593 2.523 1.00 0.00 C ATOM 2197 OG SER A 136 -7.782 0.738 3.525 1.00 0.00 O ATOM 0 H SER A 136 -7.761 3.185 0.134 1.00 0.00 H new ATOM 0 HA SER A 136 -7.059 3.290 2.985 1.00 0.00 H new ATOM 0 HB2 SER A 136 -9.208 2.068 2.885 1.00 0.00 H new ATOM 0 HB3 SER A 136 -8.569 1.003 1.648 1.00 0.00 H new ATOM 0 HG SER A 136 -8.456 0.066 3.758 1.00 0.00 H new ATOM 2203 N ASN A 137 -4.999 1.988 2.613 1.00 0.00 N ATOM 2204 CA ASN A 137 -3.611 1.571 2.374 1.00 0.00 C ATOM 2205 C ASN A 137 -3.384 0.059 2.603 1.00 0.00 C ATOM 2206 O ASN A 137 -2.813 -0.593 1.698 1.00 0.00 O ATOM 2207 CB ASN A 137 -2.683 2.454 3.232 1.00 0.00 C ATOM 2208 CG ASN A 137 -1.233 2.004 3.169 1.00 0.00 C ATOM 2209 OD1 ASN A 137 -0.655 1.536 4.143 1.00 0.00 O ATOM 2210 ND2 ASN A 137 -0.610 2.102 2.015 1.00 0.00 N ATOM 0 H ASN A 137 -5.181 2.216 3.590 1.00 0.00 H new ATOM 0 HA ASN A 137 -3.373 1.718 1.321 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -2.755 3.488 2.894 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -3.022 2.433 4.268 1.00 0.00 H new ATOM 0 HD21 ASN A 137 0.357 1.788 1.929 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -1.093 2.492 1.206 1.00 0.00 H new