USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 806 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 40 SER OG : rot 55:sc= 0.8 USER MOD Set 1.2: A 42 ASN : amide:sc= -1.12 K(o=-0.32,f=1.8) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 ASN : amide:sc= -0.0148 X(o=-0.015,f=-0.2) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -0.275 X(o=-0.27,f=-0.58) USER MOD Single : A 35 ASN : amide:sc= 0.171 K(o=0.17,f=-5.8!) USER MOD Single : A 37 THR OG1 : rot 177:sc= 0.535 USER MOD Single : A 44 GLN : amide:sc= -0.0405 X(o=-0.04,f=-0.094) USER MOD Single : A 46 LYS NZ :NH3+ -139:sc= 0.944 (180deg=0.144) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.302 X(o=-0.3,f=-0.2) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00979) USER MOD Single : A 57 LYS NZ :NH3+ 173:sc= -5.61! (180deg=-5.73!) USER MOD Single : A 58 LYS NZ :NH3+ -116:sc= 0.852 (180deg=-0.0826) USER MOD Single : A 62 HIS : no HE2:sc= -3! C(o=-3!,f=-4.3!) USER MOD Single : A 63 CYS SG : rot -130:sc= -3.53! USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 85:sc= 0.21 USER MOD Single : A 76 MET CE :methyl -120:sc= -1.56 (180deg=-2.44!) USER MOD Single : A 77 HIS : no HD1:sc= -1.58 K(o=-1.6,f=-2.7!) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 12:sc= -0.486 USER MOD Single : A 89 ASN : amide:sc=-0.00313 K(o=-0.0031,f=-0.72) USER MOD Single : A 91 TYR OH : rot -135:sc= 0.279 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl 146:sc= -1.17 (180deg=-1.72) USER MOD Single : A 102 TYR OH : rot 180:sc= -0.611 USER MOD ----------------------------------------------------------------- ATOM 20 N LEU A 2 -5.541 13.058 -6.402 1.00 0.00 N ATOM 21 CA LEU A 2 -4.896 11.737 -6.232 1.00 0.00 C ATOM 22 C LEU A 2 -5.772 10.603 -6.799 1.00 0.00 C ATOM 23 O LEU A 2 -5.341 9.458 -6.831 1.00 0.00 O ATOM 24 CB LEU A 2 -4.539 11.436 -4.755 1.00 0.00 C ATOM 25 CG LEU A 2 -5.679 10.878 -3.837 1.00 0.00 C ATOM 26 CD1 LEU A 2 -5.088 10.211 -2.585 1.00 0.00 C ATOM 27 CD2 LEU A 2 -6.695 11.968 -3.455 1.00 0.00 C ATOM 0 HA LEU A 2 -3.966 11.782 -6.798 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -3.718 10.719 -4.746 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -4.164 12.355 -4.305 1.00 0.00 H new ATOM 0 HG LEU A 2 -6.220 10.123 -4.408 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -5.896 9.830 -1.960 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -4.440 9.387 -2.883 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -4.508 10.943 -2.022 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -7.468 11.538 -2.818 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -6.186 12.768 -2.917 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -7.152 12.372 -4.358 1.00 0.00 H new ATOM 39 N GLU A 3 -7.010 10.932 -7.206 1.00 0.00 N ATOM 40 CA GLU A 3 -7.979 9.956 -7.764 1.00 0.00 C ATOM 41 C GLU A 3 -7.408 9.225 -9.003 1.00 0.00 C ATOM 42 O GLU A 3 -7.776 8.083 -9.281 1.00 0.00 O ATOM 43 CB GLU A 3 -9.343 10.634 -8.099 1.00 0.00 C ATOM 44 CG GLU A 3 -9.258 12.045 -8.753 1.00 0.00 C ATOM 45 CD GLU A 3 -9.470 13.213 -7.754 1.00 0.00 C ATOM 46 OE1 GLU A 3 -8.835 13.219 -6.675 1.00 0.00 O ATOM 47 OE2 GLU A 3 -10.287 14.118 -8.034 1.00 0.00 O ATOM 0 H GLU A 3 -7.374 11.884 -7.160 1.00 0.00 H new ATOM 0 HA GLU A 3 -8.157 9.207 -6.992 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -9.899 9.977 -8.768 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -9.922 10.715 -7.179 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -8.283 12.157 -9.227 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -10.006 12.115 -9.543 1.00 0.00 H new ATOM 54 N ASP A 4 -6.497 9.903 -9.712 1.00 0.00 N ATOM 55 CA ASP A 4 -5.768 9.362 -10.880 1.00 0.00 C ATOM 56 C ASP A 4 -4.809 8.214 -10.470 1.00 0.00 C ATOM 57 O ASP A 4 -4.536 7.305 -11.255 1.00 0.00 O ATOM 58 CB ASP A 4 -4.967 10.510 -11.549 1.00 0.00 C ATOM 59 CG ASP A 4 -5.850 11.716 -11.926 1.00 0.00 C ATOM 60 OD1 ASP A 4 -6.163 12.536 -11.037 1.00 0.00 O ATOM 61 OD2 ASP A 4 -6.245 11.840 -13.108 1.00 0.00 O ATOM 0 H ASP A 4 -6.236 10.864 -9.490 1.00 0.00 H new ATOM 0 HA ASP A 4 -6.492 8.950 -11.583 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -4.180 10.840 -10.871 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -4.477 10.130 -12.446 1.00 0.00 H new ATOM 66 N TYR A 5 -4.323 8.282 -9.220 1.00 0.00 N ATOM 67 CA TYR A 5 -3.364 7.316 -8.632 1.00 0.00 C ATOM 68 C TYR A 5 -4.088 6.071 -8.061 1.00 0.00 C ATOM 69 O TYR A 5 -3.435 5.184 -7.488 1.00 0.00 O ATOM 70 CB TYR A 5 -2.538 8.013 -7.506 1.00 0.00 C ATOM 71 CG TYR A 5 -1.678 9.216 -7.959 1.00 0.00 C ATOM 72 CD1 TYR A 5 -2.268 10.372 -8.488 1.00 0.00 C ATOM 73 CD2 TYR A 5 -0.283 9.203 -7.845 1.00 0.00 C ATOM 74 CE1 TYR A 5 -1.509 11.450 -8.884 1.00 0.00 C ATOM 75 CE2 TYR A 5 0.480 10.284 -8.244 1.00 0.00 C ATOM 76 CZ TYR A 5 -0.140 11.405 -8.760 1.00 0.00 C ATOM 77 OH TYR A 5 0.605 12.497 -9.143 1.00 0.00 O ATOM 0 H TYR A 5 -4.588 9.023 -8.571 1.00 0.00 H new ATOM 0 HA TYR A 5 -2.696 6.979 -9.425 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -3.226 8.352 -6.731 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -1.883 7.272 -7.048 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -3.342 10.418 -8.587 1.00 0.00 H new ATOM 0 HD2 TYR A 5 0.207 8.331 -7.437 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -1.987 12.329 -9.291 1.00 0.00 H new ATOM 0 HE2 TYR A 5 1.556 10.252 -8.153 1.00 0.00 H new ATOM 0 HH TYR A 5 1.556 12.313 -8.994 1.00 0.00 H new ATOM 87 N ALA A 6 -5.437 6.033 -8.189 1.00 0.00 N ATOM 88 CA ALA A 6 -6.251 4.874 -7.773 1.00 0.00 C ATOM 89 C ALA A 6 -6.022 3.702 -8.735 1.00 0.00 C ATOM 90 O ALA A 6 -6.512 3.716 -9.871 1.00 0.00 O ATOM 91 CB ALA A 6 -7.745 5.244 -7.703 1.00 0.00 C ATOM 0 H ALA A 6 -5.984 6.800 -8.581 1.00 0.00 H new ATOM 0 HA ALA A 6 -5.940 4.572 -6.773 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.322 4.372 -7.394 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -7.887 6.048 -6.981 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -8.084 5.574 -8.685 1.00 0.00 H new ATOM 97 N ILE A 7 -5.217 2.728 -8.291 1.00 0.00 N ATOM 98 CA ILE A 7 -4.924 1.508 -9.053 1.00 0.00 C ATOM 99 C ILE A 7 -5.821 0.371 -8.529 1.00 0.00 C ATOM 100 O ILE A 7 -6.036 0.252 -7.313 1.00 0.00 O ATOM 101 CB ILE A 7 -3.393 1.126 -8.954 1.00 0.00 C ATOM 102 CG1 ILE A 7 -2.508 2.370 -9.327 1.00 0.00 C ATOM 103 CG2 ILE A 7 -3.058 -0.093 -9.854 1.00 0.00 C ATOM 104 CD1 ILE A 7 -1.007 2.125 -9.366 1.00 0.00 C ATOM 0 H ILE A 7 -4.748 2.765 -7.386 1.00 0.00 H new ATOM 0 HA ILE A 7 -5.137 1.678 -10.108 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.172 0.837 -7.927 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.823 2.737 -10.304 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.709 3.164 -8.608 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.998 -0.331 -9.764 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.651 -0.952 -9.539 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -3.289 0.147 -10.892 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.494 3.049 -9.633 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.667 1.792 -8.385 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.783 1.358 -10.107 1.00 0.00 H new ATOM 116 N SER A 8 -6.363 -0.437 -9.452 1.00 0.00 N ATOM 117 CA SER A 8 -7.257 -1.560 -9.122 1.00 0.00 C ATOM 118 C SER A 8 -6.494 -2.903 -9.180 1.00 0.00 C ATOM 119 O SER A 8 -5.548 -3.044 -9.958 1.00 0.00 O ATOM 120 CB SER A 8 -8.438 -1.552 -10.107 1.00 0.00 C ATOM 121 OG SER A 8 -9.145 -0.323 -10.053 1.00 0.00 O ATOM 0 H SER A 8 -6.194 -0.331 -10.452 1.00 0.00 H new ATOM 0 HA SER A 8 -7.632 -1.446 -8.105 1.00 0.00 H new ATOM 0 HB2 SER A 8 -8.071 -1.719 -11.120 1.00 0.00 H new ATOM 0 HB3 SER A 8 -9.115 -2.374 -9.874 1.00 0.00 H new ATOM 0 HG SER A 8 -9.889 -0.345 -10.690 1.00 0.00 H new ATOM 127 N LEU A 9 -6.915 -3.878 -8.341 1.00 0.00 N ATOM 128 CA LEU A 9 -6.287 -5.225 -8.246 1.00 0.00 C ATOM 129 C LEU A 9 -6.351 -5.994 -9.593 1.00 0.00 C ATOM 130 O LEU A 9 -5.423 -6.734 -9.951 1.00 0.00 O ATOM 131 CB LEU A 9 -6.962 -6.034 -7.095 1.00 0.00 C ATOM 132 CG LEU A 9 -6.586 -7.549 -6.956 1.00 0.00 C ATOM 133 CD1 LEU A 9 -5.059 -7.770 -6.862 1.00 0.00 C ATOM 134 CD2 LEU A 9 -7.310 -8.182 -5.746 1.00 0.00 C ATOM 0 H LEU A 9 -7.704 -3.756 -7.706 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.229 -5.096 -8.017 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.723 -5.541 -6.153 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -8.042 -5.966 -7.225 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.923 -8.048 -7.865 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.851 -8.836 -6.767 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.580 -7.385 -7.762 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.668 -7.245 -5.990 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -7.035 -9.234 -5.667 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -7.018 -7.661 -4.834 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.388 -8.098 -5.882 1.00 0.00 H new ATOM 146 N GLU A 10 -7.432 -5.760 -10.336 1.00 0.00 N ATOM 147 CA GLU A 10 -7.691 -6.391 -11.650 1.00 0.00 C ATOM 148 C GLU A 10 -6.658 -5.982 -12.741 1.00 0.00 C ATOM 149 O GLU A 10 -6.593 -6.615 -13.799 1.00 0.00 O ATOM 150 CB GLU A 10 -9.131 -6.013 -12.086 1.00 0.00 C ATOM 151 CG GLU A 10 -9.364 -4.490 -12.214 1.00 0.00 C ATOM 152 CD GLU A 10 -10.845 -4.097 -12.272 1.00 0.00 C ATOM 153 OE1 GLU A 10 -11.455 -3.875 -11.199 1.00 0.00 O ATOM 154 OE2 GLU A 10 -11.412 -4.026 -13.383 1.00 0.00 O ATOM 0 H GLU A 10 -8.170 -5.118 -10.046 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.587 -7.471 -11.541 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.347 -6.486 -13.044 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.838 -6.420 -11.363 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.896 -3.987 -11.367 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.866 -4.129 -13.114 1.00 0.00 H new ATOM 161 N GLU A 11 -5.848 -4.937 -12.463 1.00 0.00 N ATOM 162 CA GLU A 11 -4.910 -4.346 -13.449 1.00 0.00 C ATOM 163 C GLU A 11 -3.554 -3.956 -12.809 1.00 0.00 C ATOM 164 O GLU A 11 -2.695 -3.374 -13.488 1.00 0.00 O ATOM 165 CB GLU A 11 -5.582 -3.101 -14.092 1.00 0.00 C ATOM 166 CG GLU A 11 -5.941 -1.985 -13.081 1.00 0.00 C ATOM 167 CD GLU A 11 -6.742 -0.835 -13.699 1.00 0.00 C ATOM 168 OE1 GLU A 11 -6.138 0.081 -14.295 1.00 0.00 O ATOM 169 OE2 GLU A 11 -7.985 -0.844 -13.600 1.00 0.00 O ATOM 0 H GLU A 11 -5.824 -4.479 -11.552 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.693 -5.096 -14.210 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.913 -2.690 -14.848 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.490 -3.416 -14.607 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.515 -2.418 -12.262 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.022 -1.587 -12.650 1.00 0.00 H new ATOM 176 N VAL A 12 -3.354 -4.292 -11.515 1.00 0.00 N ATOM 177 CA VAL A 12 -2.137 -3.895 -10.765 1.00 0.00 C ATOM 178 C VAL A 12 -0.939 -4.808 -11.109 1.00 0.00 C ATOM 179 O VAL A 12 -1.113 -5.953 -11.532 1.00 0.00 O ATOM 180 CB VAL A 12 -2.381 -3.906 -9.206 1.00 0.00 C ATOM 181 CG1 VAL A 12 -2.601 -5.330 -8.653 1.00 0.00 C ATOM 182 CG2 VAL A 12 -1.245 -3.175 -8.438 1.00 0.00 C ATOM 0 H VAL A 12 -4.019 -4.837 -10.966 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.902 -2.876 -11.071 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.305 -3.352 -9.038 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.764 -5.281 -7.576 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.473 -5.776 -9.132 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.722 -5.940 -8.859 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.451 -3.205 -7.368 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.294 -3.669 -8.638 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.192 -2.138 -8.768 1.00 0.00 H new ATOM 192 N ASN A 13 0.274 -4.260 -10.947 1.00 0.00 N ATOM 193 CA ASN A 13 1.539 -4.995 -11.068 1.00 0.00 C ATOM 194 C ASN A 13 2.420 -4.589 -9.878 1.00 0.00 C ATOM 195 O ASN A 13 3.171 -3.630 -9.980 1.00 0.00 O ATOM 196 CB ASN A 13 2.244 -4.659 -12.422 1.00 0.00 C ATOM 197 CG ASN A 13 1.394 -4.976 -13.662 1.00 0.00 C ATOM 198 OD1 ASN A 13 1.471 -6.072 -14.220 1.00 0.00 O ATOM 199 ND2 ASN A 13 0.571 -4.023 -14.100 1.00 0.00 N ATOM 0 H ASN A 13 0.404 -3.273 -10.724 1.00 0.00 H new ATOM 0 HA ASN A 13 1.360 -6.070 -11.058 1.00 0.00 H new ATOM 0 HB2 ASN A 13 2.503 -3.600 -12.432 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.179 -5.217 -12.482 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -0.016 -4.192 -14.917 1.00 0.00 H new ATOM 0 HD22 ASN A 13 0.528 -3.125 -13.618 1.00 0.00 H new ATOM 206 N PHE A 14 2.274 -5.281 -8.729 1.00 0.00 N ATOM 207 CA PHE A 14 2.984 -4.920 -7.463 1.00 0.00 C ATOM 208 C PHE A 14 4.515 -4.875 -7.644 1.00 0.00 C ATOM 209 O PHE A 14 5.194 -4.022 -7.071 1.00 0.00 O ATOM 210 CB PHE A 14 2.617 -5.903 -6.324 1.00 0.00 C ATOM 211 CG PHE A 14 1.154 -5.842 -5.900 1.00 0.00 C ATOM 212 CD1 PHE A 14 0.649 -4.704 -5.278 1.00 0.00 C ATOM 213 CD2 PHE A 14 0.292 -6.917 -6.101 1.00 0.00 C ATOM 214 CE1 PHE A 14 -0.668 -4.639 -4.881 1.00 0.00 C ATOM 215 CE2 PHE A 14 -1.028 -6.851 -5.703 1.00 0.00 C ATOM 216 CZ PHE A 14 -1.507 -5.714 -5.091 1.00 0.00 C ATOM 0 H PHE A 14 1.670 -6.098 -8.642 1.00 0.00 H new ATOM 0 HA PHE A 14 2.651 -3.918 -7.193 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.850 -6.918 -6.645 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.245 -5.691 -5.458 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.299 -3.860 -5.104 1.00 0.00 H new ATOM 0 HD2 PHE A 14 0.661 -7.815 -6.575 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -1.044 -3.746 -4.405 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.685 -7.691 -5.872 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.539 -5.664 -4.776 1.00 0.00 H new ATOM 226 N ASN A 15 5.019 -5.790 -8.478 1.00 0.00 N ATOM 227 CA ASN A 15 6.452 -5.894 -8.844 1.00 0.00 C ATOM 228 C ASN A 15 6.993 -4.589 -9.487 1.00 0.00 C ATOM 229 O ASN A 15 8.185 -4.287 -9.389 1.00 0.00 O ATOM 230 CB ASN A 15 6.636 -7.086 -9.820 1.00 0.00 C ATOM 231 CG ASN A 15 5.829 -6.930 -11.120 1.00 0.00 C ATOM 232 OD1 ASN A 15 4.655 -7.308 -11.187 1.00 0.00 O ATOM 233 ND2 ASN A 15 6.440 -6.355 -12.150 1.00 0.00 N ATOM 0 H ASN A 15 4.439 -6.496 -8.931 1.00 0.00 H new ATOM 0 HA ASN A 15 7.024 -6.058 -7.931 1.00 0.00 H new ATOM 0 HB2 ASN A 15 7.693 -7.187 -10.065 1.00 0.00 H new ATOM 0 HB3 ASN A 15 6.335 -8.007 -9.321 1.00 0.00 H new ATOM 0 HD21 ASN A 15 5.939 -6.215 -13.027 1.00 0.00 H new ATOM 0 HD22 ASN A 15 7.411 -6.053 -12.064 1.00 0.00 H new ATOM 240 N ASP A 16 6.088 -3.841 -10.139 1.00 0.00 N ATOM 241 CA ASP A 16 6.411 -2.610 -10.887 1.00 0.00 C ATOM 242 C ASP A 16 6.698 -1.426 -9.935 1.00 0.00 C ATOM 243 O ASP A 16 7.514 -0.550 -10.254 1.00 0.00 O ATOM 244 CB ASP A 16 5.231 -2.265 -11.838 1.00 0.00 C ATOM 245 CG ASP A 16 5.519 -1.101 -12.800 1.00 0.00 C ATOM 246 OD1 ASP A 16 6.212 -1.319 -13.815 1.00 0.00 O ATOM 247 OD2 ASP A 16 5.054 0.027 -12.554 1.00 0.00 O ATOM 0 H ASP A 16 5.096 -4.076 -10.163 1.00 0.00 H new ATOM 0 HA ASP A 16 7.315 -2.786 -11.470 1.00 0.00 H new ATOM 0 HB2 ASP A 16 4.978 -3.150 -12.422 1.00 0.00 H new ATOM 0 HB3 ASP A 16 4.355 -2.018 -11.238 1.00 0.00 H new ATOM 252 N PHE A 17 6.029 -1.414 -8.758 1.00 0.00 N ATOM 253 CA PHE A 17 6.109 -0.291 -7.789 1.00 0.00 C ATOM 254 C PHE A 17 6.815 -0.755 -6.498 1.00 0.00 C ATOM 255 O PHE A 17 6.845 -1.952 -6.200 1.00 0.00 O ATOM 256 CB PHE A 17 4.681 0.246 -7.418 1.00 0.00 C ATOM 257 CG PHE A 17 3.634 0.155 -8.535 1.00 0.00 C ATOM 258 CD1 PHE A 17 3.577 1.106 -9.538 1.00 0.00 C ATOM 259 CD2 PHE A 17 2.716 -0.892 -8.578 1.00 0.00 C ATOM 260 CE1 PHE A 17 2.646 1.026 -10.551 1.00 0.00 C ATOM 261 CE2 PHE A 17 1.777 -0.974 -9.591 1.00 0.00 C ATOM 262 CZ PHE A 17 1.746 -0.019 -10.581 1.00 0.00 C ATOM 0 H PHE A 17 5.423 -2.175 -8.453 1.00 0.00 H new ATOM 0 HA PHE A 17 6.677 0.511 -8.261 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.315 -0.309 -6.554 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.771 1.288 -7.112 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.277 1.928 -9.527 1.00 0.00 H new ATOM 0 HD2 PHE A 17 2.738 -1.651 -7.810 1.00 0.00 H new ATOM 0 HE1 PHE A 17 2.621 1.782 -11.322 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.068 -1.788 -9.605 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.020 -0.087 -11.378 1.00 0.00 H new ATOM 272 N ILE A 18 7.384 0.207 -5.751 1.00 0.00 N ATOM 273 CA ILE A 18 7.856 -0.002 -4.366 1.00 0.00 C ATOM 274 C ILE A 18 6.626 0.003 -3.442 1.00 0.00 C ATOM 275 O ILE A 18 6.047 1.061 -3.195 1.00 0.00 O ATOM 276 CB ILE A 18 8.862 1.126 -3.917 1.00 0.00 C ATOM 277 CG1 ILE A 18 10.064 1.231 -4.916 1.00 0.00 C ATOM 278 CG2 ILE A 18 9.354 0.886 -2.460 1.00 0.00 C ATOM 279 CD1 ILE A 18 11.023 2.381 -4.639 1.00 0.00 C ATOM 0 H ILE A 18 7.531 1.157 -6.091 1.00 0.00 H new ATOM 0 HA ILE A 18 8.387 -0.952 -4.309 1.00 0.00 H new ATOM 0 HB ILE A 18 8.333 2.079 -3.933 1.00 0.00 H new ATOM 0 HG12 ILE A 18 10.623 0.296 -4.890 1.00 0.00 H new ATOM 0 HG13 ILE A 18 9.670 1.339 -5.927 1.00 0.00 H new ATOM 0 HG21 ILE A 18 10.047 1.678 -2.175 1.00 0.00 H new ATOM 0 HG22 ILE A 18 8.500 0.889 -1.782 1.00 0.00 H new ATOM 0 HG23 ILE A 18 9.860 -0.077 -2.401 1.00 0.00 H new ATOM 0 HD11 ILE A 18 11.822 2.375 -5.380 1.00 0.00 H new ATOM 0 HD12 ILE A 18 10.483 3.326 -4.695 1.00 0.00 H new ATOM 0 HD13 ILE A 18 11.451 2.266 -3.643 1.00 0.00 H new ATOM 291 N VAL A 19 6.208 -1.169 -2.945 1.00 0.00 N ATOM 292 CA VAL A 19 4.903 -1.296 -2.278 1.00 0.00 C ATOM 293 C VAL A 19 5.054 -1.040 -0.765 1.00 0.00 C ATOM 294 O VAL A 19 6.107 -1.306 -0.175 1.00 0.00 O ATOM 295 CB VAL A 19 4.253 -2.706 -2.564 1.00 0.00 C ATOM 296 CG1 VAL A 19 2.802 -2.792 -2.056 1.00 0.00 C ATOM 297 CG2 VAL A 19 4.308 -3.050 -4.070 1.00 0.00 C ATOM 0 H VAL A 19 6.747 -2.034 -2.990 1.00 0.00 H new ATOM 0 HA VAL A 19 4.229 -0.543 -2.686 1.00 0.00 H new ATOM 0 HB VAL A 19 4.843 -3.438 -2.012 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.398 -3.780 -2.275 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.783 -2.623 -0.979 1.00 0.00 H new ATOM 0 HG13 VAL A 19 2.197 -2.034 -2.553 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.853 -4.026 -4.237 1.00 0.00 H new ATOM 0 HG22 VAL A 19 3.763 -2.294 -4.636 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.346 -3.072 -4.400 1.00 0.00 H new ATOM 307 N VAL A 20 4.009 -0.449 -0.167 1.00 0.00 N ATOM 308 CA VAL A 20 3.878 -0.255 1.287 1.00 0.00 C ATOM 309 C VAL A 20 2.528 -0.825 1.724 1.00 0.00 C ATOM 310 O VAL A 20 1.506 -0.557 1.084 1.00 0.00 O ATOM 311 CB VAL A 20 3.953 1.268 1.700 1.00 0.00 C ATOM 312 CG1 VAL A 20 3.728 1.473 3.221 1.00 0.00 C ATOM 313 CG2 VAL A 20 5.292 1.898 1.265 1.00 0.00 C ATOM 0 H VAL A 20 3.214 -0.084 -0.691 1.00 0.00 H new ATOM 0 HA VAL A 20 4.707 -0.766 1.776 1.00 0.00 H new ATOM 0 HB VAL A 20 3.143 1.776 1.176 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.789 2.535 3.458 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.744 1.095 3.497 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.494 0.933 3.778 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.315 2.946 1.563 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.116 1.367 1.742 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.393 1.826 0.182 1.00 0.00 H new ATOM 323 N ASP A 21 2.526 -1.627 2.791 1.00 0.00 N ATOM 324 CA ASP A 21 1.288 -2.102 3.411 1.00 0.00 C ATOM 325 C ASP A 21 0.890 -1.093 4.493 1.00 0.00 C ATOM 326 O ASP A 21 1.553 -1.027 5.527 1.00 0.00 O ATOM 327 CB ASP A 21 1.477 -3.527 4.023 1.00 0.00 C ATOM 328 CG ASP A 21 0.173 -4.347 4.062 1.00 0.00 C ATOM 329 OD1 ASP A 21 -0.922 -3.761 4.183 1.00 0.00 O ATOM 330 OD2 ASP A 21 0.236 -5.582 3.863 1.00 0.00 O ATOM 0 H ASP A 21 3.375 -1.963 3.246 1.00 0.00 H new ATOM 0 HA ASP A 21 0.501 -2.181 2.661 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.223 -4.069 3.442 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.869 -3.432 5.035 1.00 0.00 H new ATOM 335 N VAL A 22 -0.156 -0.283 4.221 1.00 0.00 N ATOM 336 CA VAL A 22 -0.627 0.768 5.155 1.00 0.00 C ATOM 337 C VAL A 22 -1.818 0.265 5.985 1.00 0.00 C ATOM 338 O VAL A 22 -2.989 0.530 5.669 1.00 0.00 O ATOM 339 CB VAL A 22 -0.990 2.111 4.401 1.00 0.00 C ATOM 340 CG1 VAL A 22 0.289 2.869 3.970 1.00 0.00 C ATOM 341 CG2 VAL A 22 -1.899 1.833 3.174 1.00 0.00 C ATOM 0 H VAL A 22 -0.695 -0.336 3.357 1.00 0.00 H new ATOM 0 HA VAL A 22 0.196 0.993 5.833 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.542 2.743 5.097 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.011 3.788 3.454 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.882 3.113 4.852 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.876 2.241 3.300 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.133 2.773 2.674 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.381 1.172 2.479 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.823 1.358 3.505 1.00 0.00 H new ATOM 351 N ARG A 23 -1.516 -0.477 7.068 1.00 0.00 N ATOM 352 CA ARG A 23 -2.551 -1.029 7.970 1.00 0.00 C ATOM 353 C ARG A 23 -2.026 -1.126 9.423 1.00 0.00 C ATOM 354 O ARG A 23 -2.323 -0.233 10.225 1.00 0.00 O ATOM 355 CB ARG A 23 -3.079 -2.408 7.487 1.00 0.00 C ATOM 356 CG ARG A 23 -3.898 -2.423 6.173 1.00 0.00 C ATOM 357 CD ARG A 23 -4.376 -3.835 5.801 1.00 0.00 C ATOM 358 NE ARG A 23 -3.271 -4.761 5.506 1.00 0.00 N ATOM 359 CZ ARG A 23 -3.393 -6.073 5.250 1.00 0.00 C ATOM 360 NH1 ARG A 23 -4.557 -6.689 5.400 1.00 0.00 N ATOM 361 NH2 ARG A 23 -2.316 -6.776 4.925 1.00 0.00 N ATOM 0 H ARG A 23 -0.561 -0.710 7.342 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.391 -0.335 7.948 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.225 -3.074 7.362 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -3.699 -2.830 8.278 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.761 -1.765 6.278 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -3.289 -2.023 5.363 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -4.971 -4.238 6.621 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -5.031 -3.773 4.932 1.00 0.00 H new ATOM 0 HE ARG A 23 -2.328 -4.371 5.495 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -5.374 -6.166 5.714 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.635 -7.686 5.202 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -1.406 -6.319 4.872 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -2.398 -7.774 4.729 1.00 0.00 H new ATOM 375 N GLU A 24 -1.241 -2.193 9.762 1.00 0.00 N ATOM 376 CA GLU A 24 -0.862 -2.491 11.178 1.00 0.00 C ATOM 377 C GLU A 24 0.161 -3.662 11.292 1.00 0.00 C ATOM 378 O GLU A 24 0.379 -4.422 10.344 1.00 0.00 O ATOM 379 CB GLU A 24 -2.148 -2.836 11.998 1.00 0.00 C ATOM 380 CG GLU A 24 -1.992 -2.774 13.532 1.00 0.00 C ATOM 381 CD GLU A 24 -3.308 -3.025 14.286 1.00 0.00 C ATOM 382 OE1 GLU A 24 -3.735 -4.189 14.378 1.00 0.00 O ATOM 383 OE2 GLU A 24 -3.922 -2.066 14.783 1.00 0.00 O ATOM 0 H GLU A 24 -0.863 -2.853 9.083 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.378 -1.601 11.580 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.942 -2.150 11.703 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.475 -3.839 11.723 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -1.255 -3.513 13.846 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.602 -1.795 13.812 1.00 0.00 H new ATOM 390 N LEU A 25 0.781 -3.801 12.481 1.00 0.00 N ATOM 391 CA LEU A 25 1.646 -4.948 12.810 1.00 0.00 C ATOM 392 C LEU A 25 0.875 -6.280 12.657 1.00 0.00 C ATOM 393 O LEU A 25 1.383 -7.210 12.041 1.00 0.00 O ATOM 394 CB LEU A 25 2.207 -4.816 14.256 1.00 0.00 C ATOM 395 CG LEU A 25 3.094 -6.005 14.759 1.00 0.00 C ATOM 396 CD1 LEU A 25 4.356 -6.184 13.882 1.00 0.00 C ATOM 397 CD2 LEU A 25 3.465 -5.839 16.252 1.00 0.00 C ATOM 0 H LEU A 25 0.695 -3.122 13.237 1.00 0.00 H new ATOM 0 HA LEU A 25 2.482 -4.950 12.110 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.795 -3.900 14.314 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.367 -4.700 14.941 1.00 0.00 H new ATOM 0 HG LEU A 25 2.501 -6.915 14.666 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.947 -7.018 14.261 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.058 -6.388 12.853 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.953 -5.272 13.913 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.081 -6.681 16.570 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.021 -4.911 16.388 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.555 -5.808 16.852 1.00 0.00 H new ATOM 409 N ASP A 26 -0.365 -6.324 13.187 1.00 0.00 N ATOM 410 CA ASP A 26 -1.209 -7.551 13.248 1.00 0.00 C ATOM 411 C ASP A 26 -1.384 -8.221 11.865 1.00 0.00 C ATOM 412 O ASP A 26 -1.302 -9.456 11.744 1.00 0.00 O ATOM 413 CB ASP A 26 -2.593 -7.193 13.846 1.00 0.00 C ATOM 414 CG ASP A 26 -3.555 -8.388 14.015 1.00 0.00 C ATOM 415 OD1 ASP A 26 -3.324 -9.238 14.905 1.00 0.00 O ATOM 416 OD2 ASP A 26 -4.557 -8.480 13.273 1.00 0.00 O ATOM 0 H ASP A 26 -0.819 -5.505 13.590 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.698 -8.272 13.886 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -2.442 -6.726 14.819 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -3.068 -6.450 13.206 1.00 0.00 H new ATOM 421 N GLU A 27 -1.599 -7.397 10.824 1.00 0.00 N ATOM 422 CA GLU A 27 -1.790 -7.898 9.452 1.00 0.00 C ATOM 423 C GLU A 27 -0.472 -8.393 8.865 1.00 0.00 C ATOM 424 O GLU A 27 -0.463 -9.409 8.185 1.00 0.00 O ATOM 425 CB GLU A 27 -2.477 -6.836 8.561 1.00 0.00 C ATOM 426 CG GLU A 27 -1.807 -5.445 8.509 1.00 0.00 C ATOM 427 CD GLU A 27 -0.618 -5.232 7.523 1.00 0.00 C ATOM 428 OE1 GLU A 27 -0.258 -6.152 6.766 1.00 0.00 O ATOM 429 OE2 GLU A 27 -0.065 -4.109 7.499 1.00 0.00 O ATOM 0 H GLU A 27 -1.645 -6.381 10.907 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.462 -8.756 9.488 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.532 -7.227 7.545 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.502 -6.709 8.910 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.577 -4.714 8.263 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.453 -5.209 9.512 1.00 0.00 H new ATOM 436 N TYR A 28 0.645 -7.675 9.151 1.00 0.00 N ATOM 437 CA TYR A 28 2.003 -8.116 8.740 1.00 0.00 C ATOM 438 C TYR A 28 2.267 -9.571 9.191 1.00 0.00 C ATOM 439 O TYR A 28 2.886 -10.366 8.463 1.00 0.00 O ATOM 440 CB TYR A 28 3.079 -7.152 9.322 1.00 0.00 C ATOM 441 CG TYR A 28 4.540 -7.643 9.201 1.00 0.00 C ATOM 442 CD1 TYR A 28 5.311 -7.381 8.067 1.00 0.00 C ATOM 443 CD2 TYR A 28 5.133 -8.387 10.228 1.00 0.00 C ATOM 444 CE1 TYR A 28 6.611 -7.840 7.967 1.00 0.00 C ATOM 445 CE2 TYR A 28 6.421 -8.850 10.128 1.00 0.00 C ATOM 446 CZ TYR A 28 7.160 -8.577 9.000 1.00 0.00 C ATOM 447 OH TYR A 28 8.452 -9.050 8.895 1.00 0.00 O ATOM 0 H TYR A 28 0.632 -6.792 9.662 1.00 0.00 H new ATOM 0 HA TYR A 28 2.063 -8.087 7.652 1.00 0.00 H new ATOM 0 HB2 TYR A 28 2.993 -6.190 8.816 1.00 0.00 H new ATOM 0 HB3 TYR A 28 2.857 -6.979 10.375 1.00 0.00 H new ATOM 0 HD1 TYR A 28 4.885 -6.811 7.255 1.00 0.00 H new ATOM 0 HD2 TYR A 28 4.563 -8.602 11.120 1.00 0.00 H new ATOM 0 HE1 TYR A 28 7.196 -7.624 7.085 1.00 0.00 H new ATOM 0 HE2 TYR A 28 6.853 -9.427 10.932 1.00 0.00 H new ATOM 0 HH TYR A 28 8.685 -9.547 9.707 1.00 0.00 H new ATOM 457 N GLU A 29 1.771 -9.887 10.398 1.00 0.00 N ATOM 458 CA GLU A 29 1.928 -11.204 11.023 1.00 0.00 C ATOM 459 C GLU A 29 1.165 -12.282 10.225 1.00 0.00 C ATOM 460 O GLU A 29 1.751 -13.291 9.839 1.00 0.00 O ATOM 461 CB GLU A 29 1.416 -11.179 12.500 1.00 0.00 C ATOM 462 CG GLU A 29 1.888 -9.980 13.354 1.00 0.00 C ATOM 463 CD GLU A 29 3.324 -10.080 13.881 1.00 0.00 C ATOM 464 OE1 GLU A 29 3.518 -10.658 14.979 1.00 0.00 O ATOM 465 OE2 GLU A 29 4.258 -9.582 13.214 1.00 0.00 O ATOM 0 H GLU A 29 1.245 -9.227 10.971 1.00 0.00 H new ATOM 0 HA GLU A 29 2.990 -11.450 11.022 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.326 -11.185 12.487 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.734 -12.099 12.991 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.799 -9.072 12.757 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.213 -9.871 14.203 1.00 0.00 H new ATOM 472 N GLU A 30 -0.146 -12.052 9.973 1.00 0.00 N ATOM 473 CA GLU A 30 -1.033 -13.079 9.360 1.00 0.00 C ATOM 474 C GLU A 30 -0.871 -13.197 7.823 1.00 0.00 C ATOM 475 O GLU A 30 -0.824 -14.319 7.301 1.00 0.00 O ATOM 476 CB GLU A 30 -2.510 -12.839 9.750 1.00 0.00 C ATOM 477 CG GLU A 30 -3.069 -11.457 9.381 1.00 0.00 C ATOM 478 CD GLU A 30 -4.578 -11.355 9.615 1.00 0.00 C ATOM 479 OE1 GLU A 30 -5.346 -12.010 8.876 1.00 0.00 O ATOM 480 OE2 GLU A 30 -5.008 -10.640 10.541 1.00 0.00 O ATOM 0 H GLU A 30 -0.614 -11.170 10.182 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.715 -14.038 9.769 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -3.124 -13.601 9.270 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.612 -12.979 10.826 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.561 -10.694 9.970 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.852 -11.248 8.333 1.00 0.00 H new ATOM 487 N LEU A 31 -0.795 -12.051 7.108 1.00 0.00 N ATOM 488 CA LEU A 31 -0.564 -12.016 5.638 1.00 0.00 C ATOM 489 C LEU A 31 -0.314 -10.579 5.141 1.00 0.00 C ATOM 490 O LEU A 31 -1.001 -9.630 5.534 1.00 0.00 O ATOM 491 CB LEU A 31 -1.688 -12.734 4.798 1.00 0.00 C ATOM 492 CG LEU A 31 -3.110 -12.071 4.573 1.00 0.00 C ATOM 493 CD1 LEU A 31 -3.677 -11.377 5.821 1.00 0.00 C ATOM 494 CD2 LEU A 31 -3.155 -11.138 3.343 1.00 0.00 C ATOM 0 H LEU A 31 -0.891 -11.126 7.528 1.00 0.00 H new ATOM 0 HA LEU A 31 0.342 -12.598 5.468 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.270 -12.927 3.810 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.862 -13.703 5.266 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.769 -12.913 4.364 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.651 -10.948 5.588 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.784 -12.105 6.625 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.998 -10.585 6.137 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.155 -10.715 3.243 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.432 -10.333 3.471 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.910 -11.707 2.446 1.00 0.00 H new ATOM 506 N HIS A 32 0.650 -10.458 4.229 1.00 0.00 N ATOM 507 CA HIS A 32 1.075 -9.176 3.641 1.00 0.00 C ATOM 508 C HIS A 32 1.916 -9.485 2.391 1.00 0.00 C ATOM 509 O HIS A 32 2.279 -10.644 2.165 1.00 0.00 O ATOM 510 CB HIS A 32 1.885 -8.322 4.672 1.00 0.00 C ATOM 511 CG HIS A 32 3.274 -8.832 4.986 1.00 0.00 C ATOM 512 ND1 HIS A 32 3.518 -10.021 5.640 1.00 0.00 N ATOM 513 CD2 HIS A 32 4.496 -8.321 4.687 1.00 0.00 C ATOM 514 CE1 HIS A 32 4.822 -10.213 5.727 1.00 0.00 C ATOM 515 NE2 HIS A 32 5.433 -9.199 5.159 1.00 0.00 N ATOM 0 H HIS A 32 1.170 -11.258 3.868 1.00 0.00 H new ATOM 0 HA HIS A 32 0.202 -8.585 3.365 1.00 0.00 H new ATOM 0 HB2 HIS A 32 1.967 -7.304 4.290 1.00 0.00 H new ATOM 0 HB3 HIS A 32 1.317 -8.269 5.601 1.00 0.00 H new ATOM 0 HD2 HIS A 32 4.692 -7.392 4.172 1.00 0.00 H new ATOM 0 HE1 HIS A 32 5.305 -11.062 6.188 1.00 0.00 H new ATOM 0 HE2 HIS A 32 6.444 -9.084 5.082 1.00 0.00 H new ATOM 524 N LEU A 33 2.218 -8.465 1.582 1.00 0.00 N ATOM 525 CA LEU A 33 3.102 -8.627 0.405 1.00 0.00 C ATOM 526 C LEU A 33 4.588 -8.614 0.839 1.00 0.00 C ATOM 527 O LEU A 33 4.944 -7.871 1.753 1.00 0.00 O ATOM 528 CB LEU A 33 2.824 -7.509 -0.631 1.00 0.00 C ATOM 529 CG LEU A 33 1.429 -7.553 -1.318 1.00 0.00 C ATOM 530 CD1 LEU A 33 1.186 -6.288 -2.156 1.00 0.00 C ATOM 531 CD2 LEU A 33 1.266 -8.822 -2.184 1.00 0.00 C ATOM 0 H LEU A 33 1.868 -7.516 1.713 1.00 0.00 H new ATOM 0 HA LEU A 33 2.892 -9.590 -0.061 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.933 -6.545 -0.135 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.590 -7.558 -1.404 1.00 0.00 H new ATOM 0 HG LEU A 33 0.677 -7.589 -0.529 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.204 -6.345 -2.625 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.230 -5.410 -1.511 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.952 -6.210 -2.927 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.280 -8.821 -2.649 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.033 -8.835 -2.958 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.370 -9.707 -1.556 1.00 0.00 H new ATOM 543 N PRO A 34 5.477 -9.421 0.167 1.00 0.00 N ATOM 544 CA PRO A 34 6.922 -9.502 0.508 1.00 0.00 C ATOM 545 C PRO A 34 7.601 -8.131 0.335 1.00 0.00 C ATOM 546 O PRO A 34 8.410 -7.694 1.148 1.00 0.00 O ATOM 547 CB PRO A 34 7.503 -10.523 -0.527 1.00 0.00 C ATOM 548 CG PRO A 34 6.318 -11.204 -1.135 1.00 0.00 C ATOM 549 CD PRO A 34 5.146 -10.265 -1.006 1.00 0.00 C ATOM 0 HA PRO A 34 7.087 -9.804 1.542 1.00 0.00 H new ATOM 0 HB2 PRO A 34 8.095 -10.015 -1.288 1.00 0.00 H new ATOM 0 HB3 PRO A 34 8.161 -11.243 -0.040 1.00 0.00 H new ATOM 0 HG2 PRO A 34 6.507 -11.441 -2.182 1.00 0.00 H new ATOM 0 HG3 PRO A 34 6.113 -12.146 -0.626 1.00 0.00 H new ATOM 0 HD2 PRO A 34 5.019 -9.663 -1.906 1.00 0.00 H new ATOM 0 HD3 PRO A 34 4.215 -10.810 -0.853 1.00 0.00 H new ATOM 557 N ASN A 35 7.203 -7.480 -0.756 1.00 0.00 N ATOM 558 CA ASN A 35 7.734 -6.191 -1.229 1.00 0.00 C ATOM 559 C ASN A 35 6.897 -5.002 -0.703 1.00 0.00 C ATOM 560 O ASN A 35 7.010 -3.873 -1.221 1.00 0.00 O ATOM 561 CB ASN A 35 7.748 -6.228 -2.783 1.00 0.00 C ATOM 562 CG ASN A 35 6.358 -6.434 -3.419 1.00 0.00 C ATOM 563 OD1 ASN A 35 5.476 -7.082 -2.851 1.00 0.00 O ATOM 564 ND2 ASN A 35 6.150 -5.890 -4.601 1.00 0.00 N ATOM 0 H ASN A 35 6.471 -7.847 -1.364 1.00 0.00 H new ATOM 0 HA ASN A 35 8.744 -6.043 -0.846 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.171 -5.295 -3.154 1.00 0.00 H new ATOM 0 HB3 ASN A 35 8.409 -7.031 -3.111 1.00 0.00 H new ATOM 0 HD21 ASN A 35 5.247 -6.001 -5.062 1.00 0.00 H new ATOM 0 HD22 ASN A 35 6.892 -5.357 -5.055 1.00 0.00 H new ATOM 571 N ALA A 36 6.055 -5.271 0.321 1.00 0.00 N ATOM 572 CA ALA A 36 5.292 -4.236 1.042 1.00 0.00 C ATOM 573 C ALA A 36 6.007 -3.859 2.352 1.00 0.00 C ATOM 574 O ALA A 36 6.324 -4.732 3.171 1.00 0.00 O ATOM 575 CB ALA A 36 3.858 -4.698 1.329 1.00 0.00 C ATOM 0 H ALA A 36 5.888 -6.215 0.668 1.00 0.00 H new ATOM 0 HA ALA A 36 5.237 -3.354 0.404 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.322 -3.912 1.862 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.349 -4.911 0.389 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.882 -5.600 1.941 1.00 0.00 H new ATOM 581 N THR A 37 6.261 -2.554 2.522 1.00 0.00 N ATOM 582 CA THR A 37 6.863 -1.982 3.733 1.00 0.00 C ATOM 583 C THR A 37 5.810 -1.890 4.856 1.00 0.00 C ATOM 584 O THR A 37 4.723 -1.354 4.635 1.00 0.00 O ATOM 585 CB THR A 37 7.431 -0.561 3.409 1.00 0.00 C ATOM 586 OG1 THR A 37 8.365 -0.659 2.323 1.00 0.00 O ATOM 587 CG2 THR A 37 8.118 0.106 4.619 1.00 0.00 C ATOM 0 H THR A 37 6.050 -1.855 1.810 1.00 0.00 H new ATOM 0 HA THR A 37 7.675 -2.626 4.071 1.00 0.00 H new ATOM 0 HB THR A 37 6.584 0.069 3.137 1.00 0.00 H new ATOM 0 HG1 THR A 37 8.684 0.236 2.084 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.491 1.089 4.330 1.00 0.00 H new ATOM 0 HG22 THR A 37 7.399 0.215 5.431 1.00 0.00 H new ATOM 0 HG23 THR A 37 8.950 -0.514 4.952 1.00 0.00 H new ATOM 595 N LEU A 38 6.135 -2.423 6.050 1.00 0.00 N ATOM 596 CA LEU A 38 5.237 -2.359 7.215 1.00 0.00 C ATOM 597 C LEU A 38 5.186 -0.922 7.773 1.00 0.00 C ATOM 598 O LEU A 38 6.137 -0.451 8.423 1.00 0.00 O ATOM 599 CB LEU A 38 5.670 -3.354 8.328 1.00 0.00 C ATOM 600 CG LEU A 38 4.860 -3.268 9.672 1.00 0.00 C ATOM 601 CD1 LEU A 38 3.341 -3.443 9.434 1.00 0.00 C ATOM 602 CD2 LEU A 38 5.386 -4.280 10.716 1.00 0.00 C ATOM 0 H LEU A 38 7.016 -2.904 6.231 1.00 0.00 H new ATOM 0 HA LEU A 38 4.240 -2.648 6.881 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.583 -4.368 7.937 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.724 -3.187 8.549 1.00 0.00 H new ATOM 0 HG LEU A 38 5.013 -2.268 10.078 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.814 -3.378 10.386 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.984 -2.658 8.767 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.153 -4.417 8.981 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.803 -4.193 11.633 1.00 0.00 H new ATOM 0 HD22 LEU A 38 5.293 -5.292 10.321 1.00 0.00 H new ATOM 0 HD23 LEU A 38 6.434 -4.070 10.931 1.00 0.00 H new ATOM 614 N ILE A 39 4.086 -0.226 7.456 1.00 0.00 N ATOM 615 CA ILE A 39 3.745 1.096 8.009 1.00 0.00 C ATOM 616 C ILE A 39 2.240 1.099 8.314 1.00 0.00 C ATOM 617 O ILE A 39 1.444 0.617 7.518 1.00 0.00 O ATOM 618 CB ILE A 39 4.104 2.279 7.013 1.00 0.00 C ATOM 619 CG1 ILE A 39 5.644 2.323 6.735 1.00 0.00 C ATOM 620 CG2 ILE A 39 3.602 3.653 7.539 1.00 0.00 C ATOM 621 CD1 ILE A 39 6.096 3.339 5.703 1.00 0.00 C ATOM 0 H ILE A 39 3.392 -0.572 6.794 1.00 0.00 H new ATOM 0 HA ILE A 39 4.332 1.265 8.912 1.00 0.00 H new ATOM 0 HB ILE A 39 3.586 2.080 6.074 1.00 0.00 H new ATOM 0 HG12 ILE A 39 6.158 2.531 7.673 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.964 1.334 6.409 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.869 4.434 6.827 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.519 3.624 7.657 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.066 3.866 8.502 1.00 0.00 H new ATOM 0 HD11 ILE A 39 7.179 3.284 5.589 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.619 3.124 4.747 1.00 0.00 H new ATOM 0 HD13 ILE A 39 5.816 4.340 6.031 1.00 0.00 H new ATOM 633 N SER A 40 1.846 1.621 9.465 1.00 0.00 N ATOM 634 CA SER A 40 0.422 1.770 9.792 1.00 0.00 C ATOM 635 C SER A 40 -0.099 3.064 9.134 1.00 0.00 C ATOM 636 O SER A 40 0.638 4.046 9.030 1.00 0.00 O ATOM 637 CB SER A 40 0.195 1.771 11.316 1.00 0.00 C ATOM 638 OG SER A 40 -1.181 1.896 11.637 1.00 0.00 O ATOM 0 H SER A 40 2.483 1.950 10.191 1.00 0.00 H new ATOM 0 HA SER A 40 -0.136 0.920 9.401 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.587 0.848 11.744 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.751 2.593 11.767 1.00 0.00 H new ATOM 0 HG SER A 40 -1.688 1.188 11.187 1.00 0.00 H new ATOM 644 N VAL A 41 -1.355 3.028 8.653 1.00 0.00 N ATOM 645 CA VAL A 41 -2.042 4.182 8.028 1.00 0.00 C ATOM 646 C VAL A 41 -1.972 5.478 8.889 1.00 0.00 C ATOM 647 O VAL A 41 -1.860 6.574 8.340 1.00 0.00 O ATOM 648 CB VAL A 41 -3.544 3.813 7.717 1.00 0.00 C ATOM 649 CG1 VAL A 41 -4.288 3.358 8.999 1.00 0.00 C ATOM 650 CG2 VAL A 41 -4.292 4.973 6.996 1.00 0.00 C ATOM 0 H VAL A 41 -1.932 2.188 8.686 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.513 4.398 7.100 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.534 2.970 7.027 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.320 3.111 8.752 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.794 2.480 9.414 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.274 4.163 9.733 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.322 4.676 6.801 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.284 5.860 7.629 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.794 5.196 6.052 1.00 0.00 H new ATOM 660 N ASN A 42 -2.021 5.330 10.236 1.00 0.00 N ATOM 661 CA ASN A 42 -1.990 6.486 11.175 1.00 0.00 C ATOM 662 C ASN A 42 -0.562 7.044 11.375 1.00 0.00 C ATOM 663 O ASN A 42 -0.396 8.159 11.881 1.00 0.00 O ATOM 664 CB ASN A 42 -2.622 6.118 12.553 1.00 0.00 C ATOM 665 CG ASN A 42 -1.741 5.268 13.489 1.00 0.00 C ATOM 666 OD1 ASN A 42 -1.801 5.421 14.706 1.00 0.00 O ATOM 667 ND2 ASN A 42 -0.950 4.351 12.956 1.00 0.00 N ATOM 0 H ASN A 42 -2.082 4.423 10.699 1.00 0.00 H new ATOM 0 HA ASN A 42 -2.590 7.271 10.714 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -2.883 7.041 13.070 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -3.552 5.580 12.373 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -0.378 3.758 13.558 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -0.912 4.237 11.943 1.00 0.00 H new ATOM 674 N ASP A 43 0.459 6.253 10.985 1.00 0.00 N ATOM 675 CA ASP A 43 1.877 6.657 11.064 1.00 0.00 C ATOM 676 C ASP A 43 2.205 7.606 9.896 1.00 0.00 C ATOM 677 O ASP A 43 2.747 7.180 8.869 1.00 0.00 O ATOM 678 CB ASP A 43 2.840 5.420 11.033 1.00 0.00 C ATOM 679 CG ASP A 43 2.655 4.385 12.158 1.00 0.00 C ATOM 680 OD1 ASP A 43 2.109 4.724 13.235 1.00 0.00 O ATOM 681 OD2 ASP A 43 3.113 3.228 11.988 1.00 0.00 O ATOM 0 H ASP A 43 0.323 5.316 10.606 1.00 0.00 H new ATOM 0 HA ASP A 43 2.029 7.167 12.015 1.00 0.00 H new ATOM 0 HB2 ASP A 43 2.715 4.912 10.077 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.867 5.784 11.068 1.00 0.00 H new ATOM 686 N GLN A 44 1.828 8.890 10.043 1.00 0.00 N ATOM 687 CA GLN A 44 2.135 9.926 9.041 1.00 0.00 C ATOM 688 C GLN A 44 3.640 10.186 8.983 1.00 0.00 C ATOM 689 O GLN A 44 4.204 10.295 7.900 1.00 0.00 O ATOM 690 CB GLN A 44 1.369 11.262 9.319 1.00 0.00 C ATOM 691 CG GLN A 44 -0.071 11.318 8.774 1.00 0.00 C ATOM 692 CD GLN A 44 -1.017 10.306 9.407 1.00 0.00 C ATOM 693 OE1 GLN A 44 -1.649 10.573 10.427 1.00 0.00 O ATOM 694 NE2 GLN A 44 -1.124 9.137 8.808 1.00 0.00 N ATOM 0 H GLN A 44 1.308 9.235 10.850 1.00 0.00 H new ATOM 0 HA GLN A 44 1.797 9.548 8.076 1.00 0.00 H new ATOM 0 HB2 GLN A 44 1.340 11.428 10.396 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.937 12.085 8.885 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -0.469 12.320 8.933 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -0.047 11.152 7.697 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -0.586 8.946 7.963 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -1.745 8.423 9.190 1.00 0.00 H new ATOM 703 N GLU A 45 4.274 10.263 10.160 1.00 0.00 N ATOM 704 CA GLU A 45 5.707 10.574 10.272 1.00 0.00 C ATOM 705 C GLU A 45 6.582 9.456 9.681 1.00 0.00 C ATOM 706 O GLU A 45 7.603 9.745 9.075 1.00 0.00 O ATOM 707 CB GLU A 45 6.097 10.871 11.742 1.00 0.00 C ATOM 708 CG GLU A 45 5.864 9.715 12.734 1.00 0.00 C ATOM 709 CD GLU A 45 6.235 10.077 14.178 1.00 0.00 C ATOM 710 OE1 GLU A 45 7.445 10.084 14.506 1.00 0.00 O ATOM 711 OE2 GLU A 45 5.327 10.376 14.985 1.00 0.00 O ATOM 0 H GLU A 45 3.812 10.113 11.057 1.00 0.00 H new ATOM 0 HA GLU A 45 5.892 11.473 9.684 1.00 0.00 H new ATOM 0 HB2 GLU A 45 7.151 11.146 11.772 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.531 11.739 12.082 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.816 9.419 12.698 1.00 0.00 H new ATOM 0 HG3 GLU A 45 6.450 8.851 12.420 1.00 0.00 H new ATOM 718 N LYS A 46 6.148 8.188 9.839 1.00 0.00 N ATOM 719 CA LYS A 46 6.881 7.015 9.311 1.00 0.00 C ATOM 720 C LYS A 46 6.649 6.870 7.797 1.00 0.00 C ATOM 721 O LYS A 46 7.584 6.572 7.043 1.00 0.00 O ATOM 722 CB LYS A 46 6.452 5.717 10.054 1.00 0.00 C ATOM 723 CG LYS A 46 7.153 4.388 9.621 1.00 0.00 C ATOM 724 CD LYS A 46 8.696 4.349 9.882 1.00 0.00 C ATOM 725 CE LYS A 46 9.547 4.759 8.657 1.00 0.00 C ATOM 726 NZ LYS A 46 10.984 4.932 9.000 1.00 0.00 N ATOM 0 H LYS A 46 5.288 7.948 10.331 1.00 0.00 H new ATOM 0 HA LYS A 46 7.946 7.172 9.484 1.00 0.00 H new ATOM 0 HB2 LYS A 46 6.629 5.862 11.120 1.00 0.00 H new ATOM 0 HB3 LYS A 46 5.377 5.591 9.924 1.00 0.00 H new ATOM 0 HG2 LYS A 46 6.687 3.558 10.152 1.00 0.00 H new ATOM 0 HG3 LYS A 46 6.974 4.228 8.558 1.00 0.00 H new ATOM 0 HD2 LYS A 46 8.931 5.012 10.714 1.00 0.00 H new ATOM 0 HD3 LYS A 46 8.978 3.341 10.188 1.00 0.00 H new ATOM 0 HE2 LYS A 46 9.450 4.001 7.880 1.00 0.00 H new ATOM 0 HE3 LYS A 46 9.160 5.690 8.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 11.359 5.769 8.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 11.083 5.059 10.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 11.516 4.089 8.702 1.00 0.00 H new ATOM 740 N LEU A 47 5.403 7.093 7.359 1.00 0.00 N ATOM 741 CA LEU A 47 5.036 6.972 5.940 1.00 0.00 C ATOM 742 C LEU A 47 5.760 8.040 5.109 1.00 0.00 C ATOM 743 O LEU A 47 6.474 7.722 4.157 1.00 0.00 O ATOM 744 CB LEU A 47 3.507 7.091 5.767 1.00 0.00 C ATOM 745 CG LEU A 47 2.959 6.802 4.339 1.00 0.00 C ATOM 746 CD1 LEU A 47 3.380 5.398 3.842 1.00 0.00 C ATOM 747 CD2 LEU A 47 1.428 6.964 4.301 1.00 0.00 C ATOM 0 H LEU A 47 4.629 7.359 7.968 1.00 0.00 H new ATOM 0 HA LEU A 47 5.345 5.990 5.583 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.028 6.404 6.465 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.206 8.099 6.054 1.00 0.00 H new ATOM 0 HG LEU A 47 3.398 7.533 3.661 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.980 5.231 2.842 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.468 5.333 3.813 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.989 4.640 4.521 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.065 6.758 3.294 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.971 6.266 5.002 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.163 7.984 4.580 1.00 0.00 H new ATOM 759 N ALA A 48 5.590 9.297 5.542 1.00 0.00 N ATOM 760 CA ALA A 48 6.228 10.471 4.938 1.00 0.00 C ATOM 761 C ALA A 48 7.760 10.375 5.002 1.00 0.00 C ATOM 762 O ALA A 48 8.434 10.868 4.105 1.00 0.00 O ATOM 763 CB ALA A 48 5.730 11.738 5.639 1.00 0.00 C ATOM 0 H ALA A 48 4.994 9.529 6.337 1.00 0.00 H new ATOM 0 HA ALA A 48 5.954 10.512 3.884 1.00 0.00 H new ATOM 0 HB1 ALA A 48 6.203 12.612 5.191 1.00 0.00 H new ATOM 0 HB2 ALA A 48 4.648 11.814 5.528 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.983 11.691 6.698 1.00 0.00 H new ATOM 769 N ASP A 49 8.289 9.724 6.067 1.00 0.00 N ATOM 770 CA ASP A 49 9.740 9.453 6.218 1.00 0.00 C ATOM 771 C ASP A 49 10.237 8.544 5.090 1.00 0.00 C ATOM 772 O ASP A 49 11.226 8.860 4.441 1.00 0.00 O ATOM 773 CB ASP A 49 10.038 8.799 7.590 1.00 0.00 C ATOM 774 CG ASP A 49 11.519 8.445 7.822 1.00 0.00 C ATOM 775 OD1 ASP A 49 12.296 9.329 8.245 1.00 0.00 O ATOM 776 OD2 ASP A 49 11.915 7.281 7.578 1.00 0.00 O ATOM 0 H ASP A 49 7.725 9.374 6.842 1.00 0.00 H new ATOM 0 HA ASP A 49 10.267 10.406 6.164 1.00 0.00 H new ATOM 0 HB2 ASP A 49 9.712 9.476 8.379 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.442 7.891 7.682 1.00 0.00 H new ATOM 781 N PHE A 50 9.520 7.429 4.860 1.00 0.00 N ATOM 782 CA PHE A 50 9.851 6.450 3.798 1.00 0.00 C ATOM 783 C PHE A 50 9.774 7.117 2.405 1.00 0.00 C ATOM 784 O PHE A 50 10.573 6.819 1.504 1.00 0.00 O ATOM 785 CB PHE A 50 8.888 5.232 3.884 1.00 0.00 C ATOM 786 CG PHE A 50 9.184 4.108 2.880 1.00 0.00 C ATOM 787 CD1 PHE A 50 10.262 3.243 3.079 1.00 0.00 C ATOM 788 CD2 PHE A 50 8.401 3.930 1.738 1.00 0.00 C ATOM 789 CE1 PHE A 50 10.544 2.236 2.172 1.00 0.00 C ATOM 790 CE2 PHE A 50 8.685 2.921 0.834 1.00 0.00 C ATOM 791 CZ PHE A 50 9.757 2.078 1.048 1.00 0.00 C ATOM 0 H PHE A 50 8.694 7.178 5.403 1.00 0.00 H new ATOM 0 HA PHE A 50 10.872 6.097 3.945 1.00 0.00 H new ATOM 0 HB2 PHE A 50 8.933 4.821 4.893 1.00 0.00 H new ATOM 0 HB3 PHE A 50 7.867 5.581 3.727 1.00 0.00 H new ATOM 0 HD1 PHE A 50 10.885 3.361 3.953 1.00 0.00 H new ATOM 0 HD2 PHE A 50 7.563 4.588 1.558 1.00 0.00 H new ATOM 0 HE1 PHE A 50 11.380 1.574 2.343 1.00 0.00 H new ATOM 0 HE2 PHE A 50 8.066 2.793 -0.042 1.00 0.00 H new ATOM 0 HZ PHE A 50 9.980 1.296 0.337 1.00 0.00 H new ATOM 801 N LEU A 51 8.810 8.043 2.264 1.00 0.00 N ATOM 802 CA LEU A 51 8.633 8.842 1.043 1.00 0.00 C ATOM 803 C LEU A 51 9.758 9.893 0.903 1.00 0.00 C ATOM 804 O LEU A 51 10.154 10.219 -0.210 1.00 0.00 O ATOM 805 CB LEU A 51 7.231 9.516 1.030 1.00 0.00 C ATOM 806 CG LEU A 51 5.997 8.559 1.160 1.00 0.00 C ATOM 807 CD1 LEU A 51 4.675 9.346 1.194 1.00 0.00 C ATOM 808 CD2 LEU A 51 5.970 7.485 0.050 1.00 0.00 C ATOM 0 H LEU A 51 8.132 8.257 2.995 1.00 0.00 H new ATOM 0 HA LEU A 51 8.695 8.174 0.184 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.191 10.238 1.846 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.131 10.079 0.102 1.00 0.00 H new ATOM 0 HG LEU A 51 6.106 8.038 2.111 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.840 8.651 1.285 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.677 10.024 2.047 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.570 9.921 0.274 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.097 6.846 0.183 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.920 7.970 -0.925 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.874 6.879 0.108 1.00 0.00 H new ATOM 820 N SER A 52 10.268 10.380 2.050 1.00 0.00 N ATOM 821 CA SER A 52 11.314 11.424 2.119 1.00 0.00 C ATOM 822 C SER A 52 12.732 10.845 1.894 1.00 0.00 C ATOM 823 O SER A 52 13.619 11.564 1.412 1.00 0.00 O ATOM 824 CB SER A 52 11.237 12.139 3.489 1.00 0.00 C ATOM 825 OG SER A 52 12.191 13.185 3.604 1.00 0.00 O ATOM 0 H SER A 52 9.963 10.057 2.968 1.00 0.00 H new ATOM 0 HA SER A 52 11.130 12.138 1.317 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.236 12.546 3.628 1.00 0.00 H new ATOM 0 HB3 SER A 52 11.399 11.413 4.285 1.00 0.00 H new ATOM 0 HG SER A 52 12.106 13.610 4.483 1.00 0.00 H new ATOM 831 N GLN A 53 12.940 9.552 2.255 1.00 0.00 N ATOM 832 CA GLN A 53 14.251 8.864 2.095 1.00 0.00 C ATOM 833 C GLN A 53 14.647 8.795 0.608 1.00 0.00 C ATOM 834 O GLN A 53 15.820 8.930 0.253 1.00 0.00 O ATOM 835 CB GLN A 53 14.217 7.428 2.699 1.00 0.00 C ATOM 836 CG GLN A 53 13.979 7.354 4.223 1.00 0.00 C ATOM 837 CD GLN A 53 15.053 8.043 5.079 1.00 0.00 C ATOM 838 OE1 GLN A 53 16.223 8.127 4.700 1.00 0.00 O ATOM 839 NE2 GLN A 53 14.667 8.539 6.250 1.00 0.00 N ATOM 0 H GLN A 53 12.214 8.962 2.661 1.00 0.00 H new ATOM 0 HA GLN A 53 14.996 9.446 2.638 1.00 0.00 H new ATOM 0 HB2 GLN A 53 13.433 6.860 2.198 1.00 0.00 H new ATOM 0 HB3 GLN A 53 15.162 6.935 2.472 1.00 0.00 H new ATOM 0 HG2 GLN A 53 13.012 7.804 4.447 1.00 0.00 H new ATOM 0 HG3 GLN A 53 13.918 6.306 4.516 1.00 0.00 H new ATOM 0 HE21 GLN A 53 13.693 8.458 6.542 1.00 0.00 H new ATOM 0 HE22 GLN A 53 15.345 9.001 6.856 1.00 0.00 H new ATOM 848 N HIS A 54 13.634 8.568 -0.237 1.00 0.00 N ATOM 849 CA HIS A 54 13.736 8.586 -1.699 1.00 0.00 C ATOM 850 C HIS A 54 12.444 9.203 -2.226 1.00 0.00 C ATOM 851 O HIS A 54 11.409 8.546 -2.216 1.00 0.00 O ATOM 852 CB HIS A 54 13.949 7.161 -2.297 1.00 0.00 C ATOM 853 CG HIS A 54 15.371 6.649 -2.222 1.00 0.00 C ATOM 854 ND1 HIS A 54 16.259 6.734 -3.274 1.00 0.00 N ATOM 855 CD2 HIS A 54 16.054 6.054 -1.215 1.00 0.00 C ATOM 856 CE1 HIS A 54 17.417 6.217 -2.918 1.00 0.00 C ATOM 857 NE2 HIS A 54 17.318 5.796 -1.673 1.00 0.00 N ATOM 0 H HIS A 54 12.691 8.360 0.090 1.00 0.00 H new ATOM 0 HA HIS A 54 14.607 9.168 -1.999 1.00 0.00 H new ATOM 0 HB2 HIS A 54 13.297 6.461 -1.774 1.00 0.00 H new ATOM 0 HB3 HIS A 54 13.635 7.169 -3.341 1.00 0.00 H new ATOM 0 HD2 HIS A 54 15.672 5.825 -0.231 1.00 0.00 H new ATOM 0 HE1 HIS A 54 18.297 6.150 -3.540 1.00 0.00 H new ATOM 0 HE2 HIS A 54 18.063 5.350 -1.137 1.00 0.00 H new ATOM 866 N LYS A 55 12.501 10.492 -2.584 1.00 0.00 N ATOM 867 CA LYS A 55 11.360 11.239 -3.153 1.00 0.00 C ATOM 868 C LYS A 55 11.110 10.886 -4.633 1.00 0.00 C ATOM 869 O LYS A 55 9.951 10.790 -5.058 1.00 0.00 O ATOM 870 CB LYS A 55 11.571 12.776 -2.969 1.00 0.00 C ATOM 871 CG LYS A 55 11.196 13.316 -1.566 1.00 0.00 C ATOM 872 CD LYS A 55 9.681 13.198 -1.273 1.00 0.00 C ATOM 873 CE LYS A 55 8.809 14.079 -2.189 1.00 0.00 C ATOM 874 NZ LYS A 55 9.017 15.527 -1.928 1.00 0.00 N ATOM 0 H LYS A 55 13.346 11.055 -2.488 1.00 0.00 H new ATOM 0 HA LYS A 55 10.467 10.940 -2.605 1.00 0.00 H new ATOM 0 HB2 LYS A 55 12.617 13.012 -3.167 1.00 0.00 H new ATOM 0 HB3 LYS A 55 10.978 13.303 -3.717 1.00 0.00 H new ATOM 0 HG2 LYS A 55 11.754 12.767 -0.807 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.498 14.361 -1.489 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.377 12.157 -1.386 1.00 0.00 H new ATOM 0 HD3 LYS A 55 9.497 13.473 -0.234 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.042 13.861 -3.231 1.00 0.00 H new ATOM 0 HE3 LYS A 55 7.758 13.830 -2.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 8.376 16.084 -2.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.819 15.731 -0.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 10.002 15.781 -2.145 1.00 0.00 H new ATOM 888 N ASP A 56 12.187 10.696 -5.408 1.00 0.00 N ATOM 889 CA ASP A 56 12.093 10.423 -6.859 1.00 0.00 C ATOM 890 C ASP A 56 11.950 8.901 -7.109 1.00 0.00 C ATOM 891 O ASP A 56 12.904 8.216 -7.504 1.00 0.00 O ATOM 892 CB ASP A 56 13.325 11.023 -7.592 1.00 0.00 C ATOM 893 CG ASP A 56 13.248 10.908 -9.129 1.00 0.00 C ATOM 894 OD1 ASP A 56 12.313 11.493 -9.722 1.00 0.00 O ATOM 895 OD2 ASP A 56 14.100 10.224 -9.747 1.00 0.00 O ATOM 0 H ASP A 56 13.144 10.726 -5.055 1.00 0.00 H new ATOM 0 HA ASP A 56 11.202 10.903 -7.264 1.00 0.00 H new ATOM 0 HB2 ASP A 56 13.423 12.074 -7.319 1.00 0.00 H new ATOM 0 HB3 ASP A 56 14.226 10.518 -7.243 1.00 0.00 H new ATOM 900 N LYS A 57 10.745 8.379 -6.821 1.00 0.00 N ATOM 901 CA LYS A 57 10.427 6.932 -6.897 1.00 0.00 C ATOM 902 C LYS A 57 8.951 6.715 -7.314 1.00 0.00 C ATOM 903 O LYS A 57 8.249 7.672 -7.666 1.00 0.00 O ATOM 904 CB LYS A 57 10.738 6.262 -5.513 1.00 0.00 C ATOM 905 CG LYS A 57 9.651 6.377 -4.408 1.00 0.00 C ATOM 906 CD LYS A 57 9.161 7.816 -4.130 1.00 0.00 C ATOM 907 CE LYS A 57 8.235 7.906 -2.921 1.00 0.00 C ATOM 908 NZ LYS A 57 8.872 7.320 -1.719 1.00 0.00 N ATOM 0 H LYS A 57 9.953 8.950 -6.526 1.00 0.00 H new ATOM 0 HA LYS A 57 11.048 6.463 -7.660 1.00 0.00 H new ATOM 0 HB2 LYS A 57 10.933 5.204 -5.686 1.00 0.00 H new ATOM 0 HB3 LYS A 57 11.660 6.697 -5.127 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.795 5.766 -4.694 1.00 0.00 H new ATOM 0 HG3 LYS A 57 10.047 5.958 -3.483 1.00 0.00 H new ATOM 0 HD2 LYS A 57 10.023 8.463 -3.970 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.639 8.193 -5.010 1.00 0.00 H new ATOM 0 HE2 LYS A 57 7.981 8.949 -2.730 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.302 7.384 -3.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 8.274 7.499 -0.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.984 6.295 -1.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 9.806 7.755 -1.574 1.00 0.00 H new ATOM 922 N LYS A 58 8.499 5.451 -7.271 1.00 0.00 N ATOM 923 CA LYS A 58 7.095 5.078 -7.484 1.00 0.00 C ATOM 924 C LYS A 58 6.636 4.159 -6.336 1.00 0.00 C ATOM 925 O LYS A 58 6.975 2.978 -6.327 1.00 0.00 O ATOM 926 CB LYS A 58 6.953 4.385 -8.852 1.00 0.00 C ATOM 927 CG LYS A 58 5.496 4.196 -9.310 1.00 0.00 C ATOM 928 CD LYS A 58 5.391 3.971 -10.828 1.00 0.00 C ATOM 929 CE LYS A 58 6.277 2.813 -11.326 1.00 0.00 C ATOM 930 NZ LYS A 58 6.189 2.642 -12.799 1.00 0.00 N ATOM 0 H LYS A 58 9.106 4.653 -7.085 1.00 0.00 H new ATOM 0 HA LYS A 58 6.461 5.965 -7.486 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.485 4.971 -9.601 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.438 3.410 -8.806 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.060 3.345 -8.787 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.913 5.074 -9.033 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.353 3.765 -11.089 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.674 4.887 -11.346 1.00 0.00 H new ATOM 0 HE2 LYS A 58 7.313 3.001 -11.044 1.00 0.00 H new ATOM 0 HE3 LYS A 58 5.976 1.888 -10.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 5.773 1.714 -13.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 5.591 3.392 -13.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.141 2.699 -13.213 1.00 0.00 H new ATOM 944 N VAL A 59 5.915 4.713 -5.339 1.00 0.00 N ATOM 945 CA VAL A 59 5.408 3.932 -4.179 1.00 0.00 C ATOM 946 C VAL A 59 3.899 3.684 -4.296 1.00 0.00 C ATOM 947 O VAL A 59 3.146 4.587 -4.653 1.00 0.00 O ATOM 948 CB VAL A 59 5.764 4.626 -2.797 1.00 0.00 C ATOM 949 CG1 VAL A 59 4.924 4.086 -1.613 1.00 0.00 C ATOM 950 CG2 VAL A 59 7.264 4.447 -2.478 1.00 0.00 C ATOM 0 H VAL A 59 5.667 5.702 -5.310 1.00 0.00 H new ATOM 0 HA VAL A 59 5.913 2.966 -4.197 1.00 0.00 H new ATOM 0 HB VAL A 59 5.524 5.683 -2.914 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.214 4.600 -0.697 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.866 4.261 -1.808 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.100 3.016 -1.500 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.494 4.928 -1.527 1.00 0.00 H new ATOM 0 HG22 VAL A 59 7.498 3.384 -2.413 1.00 0.00 H new ATOM 0 HG23 VAL A 59 7.861 4.902 -3.268 1.00 0.00 H new ATOM 960 N LEU A 60 3.485 2.442 -3.977 1.00 0.00 N ATOM 961 CA LEU A 60 2.081 2.005 -3.994 1.00 0.00 C ATOM 962 C LEU A 60 1.627 1.623 -2.571 1.00 0.00 C ATOM 963 O LEU A 60 2.067 0.606 -2.033 1.00 0.00 O ATOM 964 CB LEU A 60 1.929 0.780 -4.933 1.00 0.00 C ATOM 965 CG LEU A 60 0.493 0.189 -5.053 1.00 0.00 C ATOM 966 CD1 LEU A 60 -0.460 1.186 -5.733 1.00 0.00 C ATOM 967 CD2 LEU A 60 0.500 -1.168 -5.785 1.00 0.00 C ATOM 0 H LEU A 60 4.130 1.704 -3.696 1.00 0.00 H new ATOM 0 HA LEU A 60 1.460 2.823 -4.358 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.268 1.066 -5.929 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.597 -0.007 -4.583 1.00 0.00 H new ATOM 0 HG LEU A 60 0.124 0.011 -4.043 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.455 0.747 -5.804 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.508 2.102 -5.145 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.093 1.416 -6.733 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.518 -1.551 -5.851 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.904 -1.038 -6.789 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.119 -1.876 -5.234 1.00 0.00 H new ATOM 979 N LEU A 61 0.737 2.428 -1.973 1.00 0.00 N ATOM 980 CA LEU A 61 0.151 2.136 -0.652 1.00 0.00 C ATOM 981 C LEU A 61 -1.030 1.167 -0.834 1.00 0.00 C ATOM 982 O LEU A 61 -2.107 1.585 -1.228 1.00 0.00 O ATOM 983 CB LEU A 61 -0.335 3.450 0.039 1.00 0.00 C ATOM 984 CG LEU A 61 0.667 4.645 0.068 1.00 0.00 C ATOM 985 CD1 LEU A 61 0.089 5.840 0.856 1.00 0.00 C ATOM 986 CD2 LEU A 61 2.039 4.221 0.625 1.00 0.00 C ATOM 0 H LEU A 61 0.402 3.298 -2.388 1.00 0.00 H new ATOM 0 HA LEU A 61 0.909 1.680 -0.015 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.244 3.781 -0.464 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.608 3.212 1.067 1.00 0.00 H new ATOM 0 HG LEU A 61 0.819 4.968 -0.962 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.810 6.657 0.859 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.836 6.174 0.385 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.116 5.534 1.882 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.711 5.079 0.630 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.919 3.848 1.642 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.459 3.435 -0.002 1.00 0.00 H new ATOM 998 N HIS A 62 -0.828 -0.133 -0.602 1.00 0.00 N ATOM 999 CA HIS A 62 -1.925 -1.119 -0.739 1.00 0.00 C ATOM 1000 C HIS A 62 -2.617 -1.325 0.621 1.00 0.00 C ATOM 1001 O HIS A 62 -1.966 -1.253 1.676 1.00 0.00 O ATOM 1002 CB HIS A 62 -1.410 -2.462 -1.332 1.00 0.00 C ATOM 1003 CG HIS A 62 -0.868 -3.465 -0.339 1.00 0.00 C ATOM 1004 ND1 HIS A 62 -1.625 -4.497 0.157 1.00 0.00 N ATOM 1005 CD2 HIS A 62 0.355 -3.616 0.208 1.00 0.00 C ATOM 1006 CE1 HIS A 62 -0.890 -5.244 0.945 1.00 0.00 C ATOM 1007 NE2 HIS A 62 0.319 -4.731 0.995 1.00 0.00 N ATOM 0 H HIS A 62 0.068 -0.532 -0.322 1.00 0.00 H new ATOM 0 HA HIS A 62 -2.660 -0.727 -1.442 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -2.227 -2.930 -1.881 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -0.626 -2.239 -2.056 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -2.610 -4.658 -0.055 1.00 0.00 H new ATOM 0 HD2 HIS A 62 1.208 -2.972 0.052 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -1.222 -6.131 1.465 1.00 0.00 H new ATOM 1016 N CYS A 63 -3.934 -1.581 0.583 1.00 0.00 N ATOM 1017 CA CYS A 63 -4.748 -1.830 1.798 1.00 0.00 C ATOM 1018 C CYS A 63 -5.653 -3.056 1.619 1.00 0.00 C ATOM 1019 O CYS A 63 -5.856 -3.517 0.491 1.00 0.00 O ATOM 1020 CB CYS A 63 -5.587 -0.600 2.176 1.00 0.00 C ATOM 1021 SG CYS A 63 -6.558 -0.808 3.681 1.00 0.00 S ATOM 0 H CYS A 63 -4.469 -1.623 -0.284 1.00 0.00 H new ATOM 0 HA CYS A 63 -4.053 -2.030 2.614 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -4.923 0.256 2.300 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -6.260 -0.365 1.351 1.00 0.00 H new ATOM 0 HG CYS A 63 -7.789 -0.457 3.455 1.00 0.00 H new ATOM 1027 N ARG A 64 -6.119 -3.596 2.775 1.00 0.00 N ATOM 1028 CA ARG A 64 -7.036 -4.756 2.874 1.00 0.00 C ATOM 1029 C ARG A 64 -8.196 -4.624 1.855 1.00 0.00 C ATOM 1030 O ARG A 64 -8.490 -5.572 1.142 1.00 0.00 O ATOM 1031 CB ARG A 64 -7.579 -4.884 4.345 1.00 0.00 C ATOM 1032 CG ARG A 64 -8.093 -6.293 4.784 1.00 0.00 C ATOM 1033 CD ARG A 64 -9.261 -6.824 3.939 1.00 0.00 C ATOM 1034 NE ARG A 64 -9.781 -8.124 4.386 1.00 0.00 N ATOM 1035 CZ ARG A 64 -10.584 -8.925 3.649 1.00 0.00 C ATOM 1036 NH1 ARG A 64 -10.966 -8.564 2.426 1.00 0.00 N ATOM 1037 NH2 ARG A 64 -11.014 -10.078 4.147 1.00 0.00 N ATOM 0 H ARG A 64 -5.858 -3.224 3.688 1.00 0.00 H new ATOM 0 HA ARG A 64 -6.487 -5.665 2.630 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.784 -4.584 5.028 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -8.394 -4.171 4.470 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.267 -7.002 4.730 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -8.405 -6.246 5.827 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -10.071 -6.095 3.958 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -8.935 -6.912 2.902 1.00 0.00 H new ATOM 0 HE ARG A 64 -9.518 -8.445 5.318 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -10.653 -7.675 2.035 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -11.572 -9.176 1.879 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -10.739 -10.362 5.087 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -11.619 -10.680 3.589 1.00 0.00 H new ATOM 1051 N ALA A 65 -8.862 -3.459 1.830 1.00 0.00 N ATOM 1052 CA ALA A 65 -9.915 -3.161 0.832 1.00 0.00 C ATOM 1053 C ALA A 65 -9.461 -2.013 -0.076 1.00 0.00 C ATOM 1054 O ALA A 65 -9.581 -2.096 -1.296 1.00 0.00 O ATOM 1055 CB ALA A 65 -11.252 -2.827 1.513 1.00 0.00 C ATOM 0 H ALA A 65 -8.692 -2.701 2.491 1.00 0.00 H new ATOM 0 HA ALA A 65 -10.075 -4.050 0.223 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -12.004 -2.613 0.753 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.576 -3.676 2.115 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -11.126 -1.955 2.154 1.00 0.00 H new ATOM 1061 N GLY A 66 -8.938 -0.942 0.538 1.00 0.00 N ATOM 1062 CA GLY A 66 -8.430 0.223 -0.198 1.00 0.00 C ATOM 1063 C GLY A 66 -8.717 1.553 0.483 1.00 0.00 C ATOM 1064 O GLY A 66 -8.279 2.599 -0.005 1.00 0.00 O ATOM 0 H GLY A 66 -8.856 -0.859 1.551 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.353 0.117 -0.328 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.872 0.233 -1.194 1.00 0.00 H new ATOM 1068 N ARG A 67 -9.465 1.519 1.606 1.00 0.00 N ATOM 1069 CA ARG A 67 -9.821 2.728 2.374 1.00 0.00 C ATOM 1070 C ARG A 67 -8.579 3.368 3.014 1.00 0.00 C ATOM 1071 O ARG A 67 -8.384 4.575 2.894 1.00 0.00 O ATOM 1072 CB ARG A 67 -10.899 2.414 3.458 1.00 0.00 C ATOM 1073 CG ARG A 67 -11.246 3.602 4.398 1.00 0.00 C ATOM 1074 CD ARG A 67 -11.751 4.873 3.643 1.00 0.00 C ATOM 1075 NE ARG A 67 -11.009 6.088 4.041 1.00 0.00 N ATOM 1076 CZ ARG A 67 -11.165 7.307 3.502 1.00 0.00 C ATOM 1077 NH1 ARG A 67 -12.048 7.514 2.532 1.00 0.00 N ATOM 1078 NH2 ARG A 67 -10.433 8.321 3.944 1.00 0.00 N ATOM 0 H ARG A 67 -9.837 0.656 2.003 1.00 0.00 H new ATOM 0 HA ARG A 67 -10.247 3.445 1.672 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -11.811 2.086 2.959 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -10.550 1.579 4.065 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -12.011 3.283 5.106 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -10.362 3.863 4.980 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -11.647 4.721 2.569 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -12.813 5.015 3.844 1.00 0.00 H new ATOM 0 HE ARG A 67 -10.321 5.992 4.788 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -12.618 6.741 2.188 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -12.156 8.446 2.131 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -9.754 8.173 4.691 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -10.549 9.249 3.537 1.00 0.00 H new ATOM 1092 N ARG A 68 -7.753 2.553 3.694 1.00 0.00 N ATOM 1093 CA ARG A 68 -6.521 3.044 4.358 1.00 0.00 C ATOM 1094 C ARG A 68 -5.476 3.467 3.314 1.00 0.00 C ATOM 1095 O ARG A 68 -4.648 4.337 3.572 1.00 0.00 O ATOM 1096 CB ARG A 68 -5.916 1.963 5.283 1.00 0.00 C ATOM 1097 CG ARG A 68 -6.884 1.358 6.314 1.00 0.00 C ATOM 1098 CD ARG A 68 -7.543 2.398 7.236 1.00 0.00 C ATOM 1099 NE ARG A 68 -8.287 1.748 8.333 1.00 0.00 N ATOM 1100 CZ ARG A 68 -9.057 2.376 9.240 1.00 0.00 C ATOM 1101 NH1 ARG A 68 -9.230 3.692 9.203 1.00 0.00 N ATOM 1102 NH2 ARG A 68 -9.646 1.673 10.196 1.00 0.00 N ATOM 0 H ARG A 68 -7.912 1.551 3.801 1.00 0.00 H new ATOM 0 HA ARG A 68 -6.796 3.908 4.963 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -5.523 1.157 4.663 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.070 2.397 5.816 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.664 0.809 5.787 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -6.343 0.636 6.926 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -6.779 3.055 7.651 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -8.220 3.024 6.656 1.00 0.00 H new ATOM 0 HE ARG A 68 -8.211 0.734 8.410 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -8.775 4.246 8.477 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -9.818 4.149 9.900 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -9.514 0.663 10.241 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -10.231 2.142 10.887 1.00 0.00 H new ATOM 1116 N ALA A 69 -5.531 2.802 2.148 1.00 0.00 N ATOM 1117 CA ALA A 69 -4.687 3.115 0.986 1.00 0.00 C ATOM 1118 C ALA A 69 -4.956 4.549 0.513 1.00 0.00 C ATOM 1119 O ALA A 69 -4.038 5.371 0.431 1.00 0.00 O ATOM 1120 CB ALA A 69 -4.962 2.099 -0.137 1.00 0.00 C ATOM 0 H ALA A 69 -6.170 2.024 1.985 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.636 3.045 1.266 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.336 2.331 -0.999 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.733 1.094 0.218 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.012 2.152 -0.426 1.00 0.00 H new ATOM 1126 N LEU A 70 -6.242 4.814 0.240 1.00 0.00 N ATOM 1127 CA LEU A 70 -6.761 6.137 -0.137 1.00 0.00 C ATOM 1128 C LEU A 70 -6.411 7.178 0.936 1.00 0.00 C ATOM 1129 O LEU A 70 -5.767 8.171 0.637 1.00 0.00 O ATOM 1130 CB LEU A 70 -8.306 6.044 -0.336 1.00 0.00 C ATOM 1131 CG LEU A 70 -9.075 7.384 -0.590 1.00 0.00 C ATOM 1132 CD1 LEU A 70 -8.603 8.092 -1.881 1.00 0.00 C ATOM 1133 CD2 LEU A 70 -10.604 7.147 -0.613 1.00 0.00 C ATOM 0 H LEU A 70 -6.967 4.097 0.276 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.299 6.455 -1.072 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -8.499 5.379 -1.177 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -8.733 5.571 0.549 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.843 8.050 0.241 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -9.165 9.016 -2.015 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -7.540 8.321 -1.802 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -8.771 7.438 -2.737 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -11.116 8.093 -0.791 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -10.851 6.445 -1.409 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -10.923 6.736 0.345 1.00 0.00 H new ATOM 1145 N ASP A 71 -6.790 6.874 2.185 1.00 0.00 N ATOM 1146 CA ASP A 71 -6.698 7.794 3.347 1.00 0.00 C ATOM 1147 C ASP A 71 -5.261 8.290 3.582 1.00 0.00 C ATOM 1148 O ASP A 71 -5.015 9.505 3.698 1.00 0.00 O ATOM 1149 CB ASP A 71 -7.225 7.065 4.611 1.00 0.00 C ATOM 1150 CG ASP A 71 -7.290 7.947 5.872 1.00 0.00 C ATOM 1151 OD1 ASP A 71 -8.333 8.598 6.092 1.00 0.00 O ATOM 1152 OD2 ASP A 71 -6.309 7.978 6.654 1.00 0.00 O ATOM 0 H ASP A 71 -7.179 5.963 2.430 1.00 0.00 H new ATOM 0 HA ASP A 71 -7.308 8.672 3.135 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -8.222 6.676 4.402 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -6.584 6.207 4.815 1.00 0.00 H new ATOM 1157 N ALA A 72 -4.329 7.329 3.652 1.00 0.00 N ATOM 1158 CA ALA A 72 -2.901 7.603 3.862 1.00 0.00 C ATOM 1159 C ALA A 72 -2.324 8.421 2.700 1.00 0.00 C ATOM 1160 O ALA A 72 -1.582 9.392 2.913 1.00 0.00 O ATOM 1161 CB ALA A 72 -2.144 6.283 4.036 1.00 0.00 C ATOM 0 H ALA A 72 -4.546 6.336 3.564 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.784 8.196 4.769 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.085 6.489 4.192 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.540 5.747 4.899 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.267 5.672 3.142 1.00 0.00 H new ATOM 1167 N ALA A 73 -2.713 8.038 1.471 1.00 0.00 N ATOM 1168 CA ALA A 73 -2.262 8.704 0.249 1.00 0.00 C ATOM 1169 C ALA A 73 -2.783 10.148 0.166 1.00 0.00 C ATOM 1170 O ALA A 73 -2.049 11.014 -0.298 1.00 0.00 O ATOM 1171 CB ALA A 73 -2.669 7.899 -0.990 1.00 0.00 C ATOM 0 H ALA A 73 -3.349 7.258 1.303 1.00 0.00 H new ATOM 0 HA ALA A 73 -1.174 8.753 0.281 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -2.324 8.413 -1.887 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -2.219 6.907 -0.944 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.754 7.804 -1.022 1.00 0.00 H new ATOM 1177 N LYS A 74 -4.035 10.405 0.640 1.00 0.00 N ATOM 1178 CA LYS A 74 -4.628 11.764 0.618 1.00 0.00 C ATOM 1179 C LYS A 74 -3.752 12.690 1.441 1.00 0.00 C ATOM 1180 O LYS A 74 -3.209 13.652 0.913 1.00 0.00 O ATOM 1181 CB LYS A 74 -6.100 11.821 1.147 1.00 0.00 C ATOM 1182 CG LYS A 74 -7.110 10.906 0.409 1.00 0.00 C ATOM 1183 CD LYS A 74 -8.583 11.378 0.524 1.00 0.00 C ATOM 1184 CE LYS A 74 -8.880 12.604 -0.362 1.00 0.00 C ATOM 1185 NZ LYS A 74 -10.281 13.081 -0.215 1.00 0.00 N ATOM 0 H LYS A 74 -4.645 9.691 1.038 1.00 0.00 H new ATOM 0 HA LYS A 74 -4.671 12.078 -0.425 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.099 11.553 2.204 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.452 12.850 1.080 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.836 10.854 -0.645 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.030 9.895 0.809 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -9.246 10.560 0.242 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.803 11.623 1.563 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -8.195 13.411 -0.103 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -8.693 12.349 -1.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.433 13.906 -0.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.937 12.321 -0.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.454 13.350 0.775 1.00 0.00 H new ATOM 1199 N SER A 75 -3.547 12.298 2.708 1.00 0.00 N ATOM 1200 CA SER A 75 -2.756 13.050 3.696 1.00 0.00 C ATOM 1201 C SER A 75 -1.351 13.406 3.171 1.00 0.00 C ATOM 1202 O SER A 75 -0.881 14.524 3.361 1.00 0.00 O ATOM 1203 CB SER A 75 -2.663 12.218 4.989 1.00 0.00 C ATOM 1204 OG SER A 75 -3.962 11.860 5.440 1.00 0.00 O ATOM 0 H SER A 75 -3.934 11.432 3.082 1.00 0.00 H new ATOM 0 HA SER A 75 -3.258 13.997 3.895 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.073 11.320 4.810 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.147 12.789 5.761 1.00 0.00 H new ATOM 0 HG SER A 75 -4.252 11.042 4.985 1.00 0.00 H new ATOM 1210 N MET A 76 -0.720 12.456 2.465 1.00 0.00 N ATOM 1211 CA MET A 76 0.622 12.645 1.885 1.00 0.00 C ATOM 1212 C MET A 76 0.591 13.618 0.694 1.00 0.00 C ATOM 1213 O MET A 76 1.468 14.469 0.568 1.00 0.00 O ATOM 1214 CB MET A 76 1.223 11.284 1.481 1.00 0.00 C ATOM 1215 CG MET A 76 1.470 10.368 2.674 1.00 0.00 C ATOM 1216 SD MET A 76 2.592 11.129 3.870 1.00 0.00 S ATOM 1217 CE MET A 76 1.892 10.594 5.427 1.00 0.00 C ATOM 0 H MET A 76 -1.122 11.537 2.279 1.00 0.00 H new ATOM 0 HA MET A 76 1.262 13.093 2.646 1.00 0.00 H new ATOM 0 HB2 MET A 76 0.550 10.788 0.782 1.00 0.00 H new ATOM 0 HB3 MET A 76 2.163 11.449 0.955 1.00 0.00 H new ATOM 0 HG2 MET A 76 0.522 10.136 3.159 1.00 0.00 H new ATOM 0 HG3 MET A 76 1.890 9.424 2.328 1.00 0.00 H new ATOM 0 HE1 MET A 76 1.605 11.465 6.015 1.00 0.00 H new ATOM 0 HE2 MET A 76 1.013 9.978 5.238 1.00 0.00 H new ATOM 0 HE3 MET A 76 2.631 10.012 5.977 1.00 0.00 H new ATOM 1227 N HIS A 77 -0.433 13.487 -0.164 1.00 0.00 N ATOM 1228 CA HIS A 77 -0.682 14.428 -1.282 1.00 0.00 C ATOM 1229 C HIS A 77 -0.993 15.863 -0.771 1.00 0.00 C ATOM 1230 O HIS A 77 -0.773 16.845 -1.495 1.00 0.00 O ATOM 1231 CB HIS A 77 -1.813 13.891 -2.205 1.00 0.00 C ATOM 1232 CG HIS A 77 -1.382 12.845 -3.210 1.00 0.00 C ATOM 1233 ND1 HIS A 77 -1.279 13.101 -4.559 1.00 0.00 N ATOM 1234 CD2 HIS A 77 -1.071 11.532 -3.068 1.00 0.00 C ATOM 1235 CE1 HIS A 77 -0.940 12.002 -5.191 1.00 0.00 C ATOM 1236 NE2 HIS A 77 -0.803 11.037 -4.312 1.00 0.00 N ATOM 0 H HIS A 77 -1.114 12.729 -0.108 1.00 0.00 H new ATOM 0 HA HIS A 77 0.232 14.497 -1.871 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -2.600 13.469 -1.580 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -2.250 14.732 -2.744 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -1.041 10.979 -2.141 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -0.797 11.907 -6.257 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -0.539 10.075 -4.524 1.00 0.00 H new ATOM 1245 N GLU A 78 -1.491 15.965 0.477 1.00 0.00 N ATOM 1246 CA GLU A 78 -1.738 17.253 1.158 1.00 0.00 C ATOM 1247 C GLU A 78 -0.429 17.837 1.733 1.00 0.00 C ATOM 1248 O GLU A 78 -0.306 19.054 1.896 1.00 0.00 O ATOM 1249 CB GLU A 78 -2.794 17.054 2.274 1.00 0.00 C ATOM 1250 CG GLU A 78 -4.120 16.433 1.788 1.00 0.00 C ATOM 1251 CD GLU A 78 -4.919 17.319 0.821 1.00 0.00 C ATOM 1252 OE1 GLU A 78 -4.687 17.244 -0.409 1.00 0.00 O ATOM 1253 OE2 GLU A 78 -5.775 18.100 1.287 1.00 0.00 O ATOM 0 H GLU A 78 -1.735 15.153 1.044 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.121 17.969 0.431 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -2.370 16.416 3.050 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.005 18.019 2.735 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.904 15.484 1.298 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.742 16.210 2.655 1.00 0.00 H new ATOM 1260 N LEU A 79 0.529 16.944 2.056 1.00 0.00 N ATOM 1261 CA LEU A 79 1.899 17.330 2.483 1.00 0.00 C ATOM 1262 C LEU A 79 2.789 17.648 1.261 1.00 0.00 C ATOM 1263 O LEU A 79 3.884 18.200 1.407 1.00 0.00 O ATOM 1264 CB LEU A 79 2.548 16.201 3.330 1.00 0.00 C ATOM 1265 CG LEU A 79 1.754 15.754 4.591 1.00 0.00 C ATOM 1266 CD1 LEU A 79 2.447 14.577 5.311 1.00 0.00 C ATOM 1267 CD2 LEU A 79 1.501 16.939 5.557 1.00 0.00 C ATOM 0 H LEU A 79 0.380 15.935 2.030 1.00 0.00 H new ATOM 0 HA LEU A 79 1.816 18.228 3.096 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.694 15.331 2.689 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.537 16.533 3.646 1.00 0.00 H new ATOM 0 HG LEU A 79 0.781 15.400 4.250 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.864 14.292 6.187 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.520 13.728 4.632 1.00 0.00 H new ATOM 0 HD13 LEU A 79 3.447 14.879 5.623 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.944 16.588 6.426 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.455 17.354 5.881 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.926 17.710 5.044 1.00 0.00 H new ATOM 1279 N GLY A 80 2.312 17.268 0.057 1.00 0.00 N ATOM 1280 CA GLY A 80 3.005 17.557 -1.204 1.00 0.00 C ATOM 1281 C GLY A 80 3.516 16.311 -1.906 1.00 0.00 C ATOM 1282 O GLY A 80 3.883 16.380 -3.084 1.00 0.00 O ATOM 0 H GLY A 80 1.439 16.755 -0.062 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.326 18.089 -1.870 1.00 0.00 H new ATOM 0 HA3 GLY A 80 3.844 18.224 -1.005 1.00 0.00 H new ATOM 1286 N TYR A 81 3.555 15.171 -1.185 1.00 0.00 N ATOM 1287 CA TYR A 81 4.006 13.874 -1.749 1.00 0.00 C ATOM 1288 C TYR A 81 3.028 13.376 -2.829 1.00 0.00 C ATOM 1289 O TYR A 81 1.919 13.900 -2.971 1.00 0.00 O ATOM 1290 CB TYR A 81 4.125 12.797 -0.636 1.00 0.00 C ATOM 1291 CG TYR A 81 5.078 13.158 0.511 1.00 0.00 C ATOM 1292 CD1 TYR A 81 6.456 13.016 0.369 1.00 0.00 C ATOM 1293 CD2 TYR A 81 4.600 13.639 1.730 1.00 0.00 C ATOM 1294 CE1 TYR A 81 7.324 13.337 1.396 1.00 0.00 C ATOM 1295 CE2 TYR A 81 5.462 13.964 2.760 1.00 0.00 C ATOM 1296 CZ TYR A 81 6.823 13.811 2.588 1.00 0.00 C ATOM 1297 OH TYR A 81 7.686 14.134 3.610 1.00 0.00 O ATOM 0 H TYR A 81 3.278 15.119 -0.205 1.00 0.00 H new ATOM 0 HA TYR A 81 4.986 14.037 -2.198 1.00 0.00 H new ATOM 0 HB2 TYR A 81 3.134 12.612 -0.221 1.00 0.00 H new ATOM 0 HB3 TYR A 81 4.460 11.864 -1.088 1.00 0.00 H new ATOM 0 HD1 TYR A 81 6.855 12.647 -0.564 1.00 0.00 H new ATOM 0 HD2 TYR A 81 3.536 13.760 1.871 1.00 0.00 H new ATOM 0 HE1 TYR A 81 8.389 13.217 1.264 1.00 0.00 H new ATOM 0 HE2 TYR A 81 5.072 14.336 3.696 1.00 0.00 H new ATOM 0 HH TYR A 81 7.174 14.454 4.382 1.00 0.00 H new ATOM 1307 N THR A 82 3.435 12.342 -3.573 1.00 0.00 N ATOM 1308 CA THR A 82 2.594 11.720 -4.609 1.00 0.00 C ATOM 1309 C THR A 82 2.714 10.166 -4.585 1.00 0.00 C ATOM 1310 O THR A 82 3.164 9.559 -5.568 1.00 0.00 O ATOM 1311 CB THR A 82 2.958 12.289 -6.040 1.00 0.00 C ATOM 1312 OG1 THR A 82 4.388 12.384 -6.176 1.00 0.00 O ATOM 1313 CG2 THR A 82 2.319 13.665 -6.319 1.00 0.00 C ATOM 0 H THR A 82 4.355 11.911 -3.477 1.00 0.00 H new ATOM 0 HA THR A 82 1.557 11.974 -4.390 1.00 0.00 H new ATOM 0 HB THR A 82 2.551 11.592 -6.773 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.610 12.735 -7.064 1.00 0.00 H new ATOM 0 HG21 THR A 82 2.605 14.004 -7.315 1.00 0.00 H new ATOM 0 HG22 THR A 82 1.234 13.581 -6.262 1.00 0.00 H new ATOM 0 HG23 THR A 82 2.666 14.385 -5.578 1.00 0.00 H new ATOM 1321 N PRO A 83 2.334 9.478 -3.449 1.00 0.00 N ATOM 1322 CA PRO A 83 2.205 8.007 -3.441 1.00 0.00 C ATOM 1323 C PRO A 83 0.885 7.550 -4.111 1.00 0.00 C ATOM 1324 O PRO A 83 -0.158 8.207 -3.990 1.00 0.00 O ATOM 1325 CB PRO A 83 2.226 7.657 -1.933 1.00 0.00 C ATOM 1326 CG PRO A 83 1.596 8.845 -1.280 1.00 0.00 C ATOM 1327 CD PRO A 83 2.057 10.039 -2.091 1.00 0.00 C ATOM 0 HA PRO A 83 2.994 7.508 -4.004 1.00 0.00 H new ATOM 0 HB2 PRO A 83 1.667 6.744 -1.727 1.00 0.00 H new ATOM 0 HB3 PRO A 83 3.243 7.496 -1.574 1.00 0.00 H new ATOM 0 HG2 PRO A 83 0.509 8.764 -1.282 1.00 0.00 H new ATOM 0 HG3 PRO A 83 1.907 8.933 -0.239 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.291 10.814 -2.129 1.00 0.00 H new ATOM 0 HD3 PRO A 83 2.949 10.493 -1.659 1.00 0.00 H new ATOM 1335 N TYR A 84 0.971 6.438 -4.839 1.00 0.00 N ATOM 1336 CA TYR A 84 -0.190 5.730 -5.407 1.00 0.00 C ATOM 1337 C TYR A 84 -0.877 4.927 -4.299 1.00 0.00 C ATOM 1338 O TYR A 84 -0.394 4.897 -3.160 1.00 0.00 O ATOM 1339 CB TYR A 84 0.270 4.790 -6.552 1.00 0.00 C ATOM 1340 CG TYR A 84 1.000 5.504 -7.704 1.00 0.00 C ATOM 1341 CD1 TYR A 84 2.319 5.952 -7.552 1.00 0.00 C ATOM 1342 CD2 TYR A 84 0.374 5.745 -8.927 1.00 0.00 C ATOM 1343 CE1 TYR A 84 2.975 6.607 -8.570 1.00 0.00 C ATOM 1344 CE2 TYR A 84 1.034 6.401 -9.950 1.00 0.00 C ATOM 1345 CZ TYR A 84 2.335 6.828 -9.765 1.00 0.00 C ATOM 1346 OH TYR A 84 3.002 7.478 -10.783 1.00 0.00 O ATOM 0 H TYR A 84 1.861 5.991 -5.058 1.00 0.00 H new ATOM 0 HA TYR A 84 -0.896 6.452 -5.819 1.00 0.00 H new ATOM 0 HB2 TYR A 84 0.929 4.027 -6.137 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -0.601 4.274 -6.954 1.00 0.00 H new ATOM 0 HD1 TYR A 84 2.832 5.780 -6.617 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -0.643 5.414 -9.077 1.00 0.00 H new ATOM 0 HE1 TYR A 84 3.991 6.946 -8.429 1.00 0.00 H new ATOM 0 HE2 TYR A 84 0.534 6.579 -10.891 1.00 0.00 H new ATOM 0 HH TYR A 84 2.413 7.556 -11.563 1.00 0.00 H new ATOM 1356 N TYR A 85 -1.996 4.276 -4.628 1.00 0.00 N ATOM 1357 CA TYR A 85 -2.725 3.456 -3.662 1.00 0.00 C ATOM 1358 C TYR A 85 -3.533 2.371 -4.376 1.00 0.00 C ATOM 1359 O TYR A 85 -4.203 2.636 -5.382 1.00 0.00 O ATOM 1360 CB TYR A 85 -3.614 4.331 -2.742 1.00 0.00 C ATOM 1361 CG TYR A 85 -4.627 5.243 -3.449 1.00 0.00 C ATOM 1362 CD1 TYR A 85 -4.221 6.448 -4.015 1.00 0.00 C ATOM 1363 CD2 TYR A 85 -5.980 4.901 -3.541 1.00 0.00 C ATOM 1364 CE1 TYR A 85 -5.113 7.271 -4.637 1.00 0.00 C ATOM 1365 CE2 TYR A 85 -6.879 5.733 -4.167 1.00 0.00 C ATOM 1366 CZ TYR A 85 -6.436 6.919 -4.713 1.00 0.00 C ATOM 1367 OH TYR A 85 -7.317 7.753 -5.348 1.00 0.00 O ATOM 0 H TYR A 85 -2.416 4.302 -5.557 1.00 0.00 H new ATOM 0 HA TYR A 85 -2.000 2.956 -3.020 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -4.159 3.673 -2.065 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -2.963 4.953 -2.127 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -3.182 6.736 -3.961 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -6.324 3.970 -3.114 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -4.777 8.201 -5.070 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -7.922 5.460 -4.230 1.00 0.00 H new ATOM 0 HH TYR A 85 -6.820 8.437 -5.844 1.00 0.00 H new ATOM 1377 N LEU A 86 -3.420 1.137 -3.861 1.00 0.00 N ATOM 1378 CA LEU A 86 -4.096 -0.033 -4.403 1.00 0.00 C ATOM 1379 C LEU A 86 -5.367 -0.292 -3.595 1.00 0.00 C ATOM 1380 O LEU A 86 -5.315 -0.597 -2.374 1.00 0.00 O ATOM 1381 CB LEU A 86 -3.141 -1.269 -4.398 1.00 0.00 C ATOM 1382 CG LEU A 86 -3.621 -2.581 -5.132 1.00 0.00 C ATOM 1383 CD1 LEU A 86 -4.616 -3.424 -4.307 1.00 0.00 C ATOM 1384 CD2 LEU A 86 -4.203 -2.261 -6.516 1.00 0.00 C ATOM 0 H LEU A 86 -2.846 0.930 -3.044 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.376 0.147 -5.441 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -2.196 -0.962 -4.847 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.932 -1.525 -3.359 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.728 -3.194 -5.254 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -4.901 -4.309 -4.875 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.147 -3.729 -3.372 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -5.504 -2.830 -4.091 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.525 -3.184 -6.998 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.057 -1.592 -6.406 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.441 -1.779 -7.129 1.00 0.00 H new ATOM 1396 N GLU A 87 -6.492 -0.163 -4.304 1.00 0.00 N ATOM 1397 CA GLU A 87 -7.812 -0.533 -3.825 1.00 0.00 C ATOM 1398 C GLU A 87 -8.149 -1.937 -4.364 1.00 0.00 C ATOM 1399 O GLU A 87 -8.408 -2.114 -5.564 1.00 0.00 O ATOM 1400 CB GLU A 87 -8.848 0.531 -4.275 1.00 0.00 C ATOM 1401 CG GLU A 87 -8.565 1.952 -3.746 1.00 0.00 C ATOM 1402 CD GLU A 87 -9.685 2.946 -4.075 1.00 0.00 C ATOM 1403 OE1 GLU A 87 -10.648 3.055 -3.283 1.00 0.00 O ATOM 1404 OE2 GLU A 87 -9.619 3.609 -5.136 1.00 0.00 O ATOM 0 H GLU A 87 -6.502 0.213 -5.252 1.00 0.00 H new ATOM 0 HA GLU A 87 -7.837 -0.566 -2.736 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.873 0.559 -5.364 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.838 0.222 -3.941 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -8.428 1.911 -2.665 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.629 2.313 -4.172 1.00 0.00 H new ATOM 1411 N GLY A 88 -8.067 -2.931 -3.471 1.00 0.00 N ATOM 1412 CA GLY A 88 -8.350 -4.328 -3.792 1.00 0.00 C ATOM 1413 C GLY A 88 -8.152 -5.215 -2.571 1.00 0.00 C ATOM 1414 O GLY A 88 -7.367 -4.868 -1.677 1.00 0.00 O ATOM 0 H GLY A 88 -7.800 -2.783 -2.498 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -9.374 -4.422 -4.153 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -7.696 -4.660 -4.598 1.00 0.00 H new ATOM 1418 N ASN A 89 -8.853 -6.365 -2.535 1.00 0.00 N ATOM 1419 CA ASN A 89 -8.835 -7.281 -1.379 1.00 0.00 C ATOM 1420 C ASN A 89 -7.468 -7.974 -1.237 1.00 0.00 C ATOM 1421 O ASN A 89 -7.005 -8.649 -2.155 1.00 0.00 O ATOM 1422 CB ASN A 89 -9.984 -8.315 -1.450 1.00 0.00 C ATOM 1423 CG ASN A 89 -11.355 -7.732 -1.100 1.00 0.00 C ATOM 1424 OD1 ASN A 89 -11.646 -6.562 -1.359 1.00 0.00 O ATOM 1425 ND2 ASN A 89 -12.204 -8.544 -0.490 1.00 0.00 N ATOM 0 H ASN A 89 -9.445 -6.683 -3.302 1.00 0.00 H new ATOM 0 HA ASN A 89 -8.997 -6.678 -0.485 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -10.023 -8.734 -2.455 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -9.764 -9.138 -0.770 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -13.128 -8.207 -0.221 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -11.934 -9.507 -0.289 1.00 0.00 H new ATOM 1432 N VAL A 90 -6.851 -7.790 -0.051 1.00 0.00 N ATOM 1433 CA VAL A 90 -5.456 -8.173 0.228 1.00 0.00 C ATOM 1434 C VAL A 90 -5.206 -9.692 0.085 1.00 0.00 C ATOM 1435 O VAL A 90 -4.148 -10.103 -0.381 1.00 0.00 O ATOM 1436 CB VAL A 90 -5.011 -7.650 1.644 1.00 0.00 C ATOM 1437 CG1 VAL A 90 -5.794 -8.331 2.780 1.00 0.00 C ATOM 1438 CG2 VAL A 90 -3.489 -7.775 1.859 1.00 0.00 C ATOM 0 H VAL A 90 -7.317 -7.364 0.750 1.00 0.00 H new ATOM 0 HA VAL A 90 -4.839 -7.693 -0.531 1.00 0.00 H new ATOM 0 HB VAL A 90 -5.253 -6.588 1.671 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -5.456 -7.941 3.740 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -6.858 -8.128 2.661 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -5.624 -9.407 2.745 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -3.230 -7.402 2.850 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.195 -8.821 1.777 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.965 -7.190 1.103 1.00 0.00 H new ATOM 1448 N TYR A 91 -6.207 -10.513 0.445 1.00 0.00 N ATOM 1449 CA TYR A 91 -6.106 -11.984 0.338 1.00 0.00 C ATOM 1450 C TYR A 91 -6.146 -12.418 -1.136 1.00 0.00 C ATOM 1451 O TYR A 91 -5.490 -13.389 -1.540 1.00 0.00 O ATOM 1452 CB TYR A 91 -7.255 -12.676 1.115 1.00 0.00 C ATOM 1453 CG TYR A 91 -7.267 -12.397 2.627 1.00 0.00 C ATOM 1454 CD1 TYR A 91 -7.783 -11.204 3.132 1.00 0.00 C ATOM 1455 CD2 TYR A 91 -6.781 -13.330 3.547 1.00 0.00 C ATOM 1456 CE1 TYR A 91 -7.819 -10.950 4.485 1.00 0.00 C ATOM 1457 CE2 TYR A 91 -6.814 -13.076 4.908 1.00 0.00 C ATOM 1458 CZ TYR A 91 -7.340 -11.888 5.372 1.00 0.00 C ATOM 1459 OH TYR A 91 -7.390 -11.636 6.727 1.00 0.00 O ATOM 0 H TYR A 91 -7.099 -10.184 0.814 1.00 0.00 H new ATOM 0 HA TYR A 91 -5.155 -12.287 0.776 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -8.207 -12.354 0.692 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -7.185 -13.752 0.958 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -8.163 -10.462 2.446 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -6.373 -14.264 3.191 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -8.222 -10.017 4.850 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -6.429 -13.806 5.604 1.00 0.00 H new ATOM 0 HH TYR A 91 -6.533 -11.878 7.137 1.00 0.00 H new ATOM 1469 N ASP A 92 -6.908 -11.649 -1.929 1.00 0.00 N ATOM 1470 CA ASP A 92 -7.188 -11.951 -3.338 1.00 0.00 C ATOM 1471 C ASP A 92 -5.964 -11.714 -4.236 1.00 0.00 C ATOM 1472 O ASP A 92 -5.948 -12.173 -5.369 1.00 0.00 O ATOM 1473 CB ASP A 92 -8.417 -11.137 -3.842 1.00 0.00 C ATOM 1474 CG ASP A 92 -9.752 -11.595 -3.221 1.00 0.00 C ATOM 1475 OD1 ASP A 92 -9.884 -11.563 -1.978 1.00 0.00 O ATOM 1476 OD2 ASP A 92 -10.682 -11.970 -3.972 1.00 0.00 O ATOM 0 H ASP A 92 -7.352 -10.790 -1.604 1.00 0.00 H new ATOM 0 HA ASP A 92 -7.427 -13.013 -3.400 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -8.262 -10.082 -3.615 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -8.481 -11.224 -4.927 1.00 0.00 H new ATOM 1481 N PHE A 93 -4.932 -11.028 -3.719 1.00 0.00 N ATOM 1482 CA PHE A 93 -3.648 -10.853 -4.438 1.00 0.00 C ATOM 1483 C PHE A 93 -3.048 -12.233 -4.792 1.00 0.00 C ATOM 1484 O PHE A 93 -2.609 -12.475 -5.918 1.00 0.00 O ATOM 1485 CB PHE A 93 -2.624 -10.066 -3.575 1.00 0.00 C ATOM 1486 CG PHE A 93 -3.049 -8.671 -3.099 1.00 0.00 C ATOM 1487 CD1 PHE A 93 -4.198 -8.039 -3.567 1.00 0.00 C ATOM 1488 CD2 PHE A 93 -2.272 -7.988 -2.176 1.00 0.00 C ATOM 1489 CE1 PHE A 93 -4.552 -6.780 -3.130 1.00 0.00 C ATOM 1490 CE2 PHE A 93 -2.625 -6.735 -1.741 1.00 0.00 C ATOM 1491 CZ PHE A 93 -3.762 -6.126 -2.213 1.00 0.00 C ATOM 0 H PHE A 93 -4.957 -10.582 -2.802 1.00 0.00 H new ATOM 0 HA PHE A 93 -3.851 -10.288 -5.348 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -2.387 -10.667 -2.697 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -1.703 -9.963 -4.149 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -4.824 -8.545 -4.287 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -1.374 -8.450 -1.793 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -5.448 -6.308 -3.507 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -2.003 -6.223 -1.021 1.00 0.00 H new ATOM 0 HZ PHE A 93 -4.034 -5.140 -1.866 1.00 0.00 H new ATOM 1501 N GLU A 94 -3.111 -13.132 -3.798 1.00 0.00 N ATOM 1502 CA GLU A 94 -2.521 -14.474 -3.866 1.00 0.00 C ATOM 1503 C GLU A 94 -3.273 -15.348 -4.902 1.00 0.00 C ATOM 1504 O GLU A 94 -2.640 -16.046 -5.704 1.00 0.00 O ATOM 1505 CB GLU A 94 -2.534 -15.091 -2.427 1.00 0.00 C ATOM 1506 CG GLU A 94 -1.466 -16.175 -2.137 1.00 0.00 C ATOM 1507 CD GLU A 94 -1.758 -17.539 -2.787 1.00 0.00 C ATOM 1508 OE1 GLU A 94 -2.696 -18.228 -2.338 1.00 0.00 O ATOM 1509 OE2 GLU A 94 -1.040 -17.947 -3.726 1.00 0.00 O ATOM 0 H GLU A 94 -3.580 -12.943 -2.912 1.00 0.00 H new ATOM 0 HA GLU A 94 -1.488 -14.424 -4.209 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -2.406 -14.283 -1.707 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -3.518 -15.524 -2.249 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -0.498 -15.818 -2.488 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -1.385 -16.309 -1.058 1.00 0.00 H new ATOM 1516 N LYS A 95 -4.627 -15.272 -4.906 1.00 0.00 N ATOM 1517 CA LYS A 95 -5.464 -16.061 -5.850 1.00 0.00 C ATOM 1518 C LYS A 95 -5.379 -15.497 -7.289 1.00 0.00 C ATOM 1519 O LYS A 95 -5.621 -16.224 -8.257 1.00 0.00 O ATOM 1520 CB LYS A 95 -6.950 -16.150 -5.385 1.00 0.00 C ATOM 1521 CG LYS A 95 -7.762 -14.846 -5.531 1.00 0.00 C ATOM 1522 CD LYS A 95 -9.217 -14.955 -5.007 1.00 0.00 C ATOM 1523 CE LYS A 95 -10.066 -15.985 -5.773 1.00 0.00 C ATOM 1524 NZ LYS A 95 -11.488 -15.981 -5.330 1.00 0.00 N ATOM 0 H LYS A 95 -5.161 -14.678 -4.272 1.00 0.00 H new ATOM 0 HA LYS A 95 -5.059 -17.073 -5.854 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -7.447 -16.934 -5.956 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -6.969 -16.456 -4.339 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -7.250 -14.048 -4.993 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -7.784 -14.558 -6.582 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -9.196 -15.225 -3.951 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -9.695 -13.978 -5.076 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -10.019 -15.770 -6.841 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -9.645 -16.980 -5.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -12.023 -16.689 -5.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -11.537 -16.211 -4.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -11.899 -15.039 -5.491 1.00 0.00 H new ATOM 1538 N TYR A 96 -5.054 -14.190 -7.421 1.00 0.00 N ATOM 1539 CA TYR A 96 -4.777 -13.557 -8.730 1.00 0.00 C ATOM 1540 C TYR A 96 -3.406 -14.025 -9.267 1.00 0.00 C ATOM 1541 O TYR A 96 -3.205 -14.090 -10.482 1.00 0.00 O ATOM 1542 CB TYR A 96 -4.852 -11.998 -8.636 1.00 0.00 C ATOM 1543 CG TYR A 96 -6.274 -11.408 -8.795 1.00 0.00 C ATOM 1544 CD1 TYR A 96 -7.322 -11.807 -7.963 1.00 0.00 C ATOM 1545 CD2 TYR A 96 -6.563 -10.452 -9.779 1.00 0.00 C ATOM 1546 CE1 TYR A 96 -8.592 -11.287 -8.100 1.00 0.00 C ATOM 1547 CE2 TYR A 96 -7.836 -9.929 -9.918 1.00 0.00 C ATOM 1548 CZ TYR A 96 -8.843 -10.351 -9.075 1.00 0.00 C ATOM 1549 OH TYR A 96 -10.110 -9.831 -9.215 1.00 0.00 O ATOM 0 H TYR A 96 -4.977 -13.550 -6.630 1.00 0.00 H new ATOM 0 HA TYR A 96 -5.547 -13.872 -9.435 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -4.450 -11.686 -7.672 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -4.208 -11.570 -9.404 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -7.133 -12.541 -7.193 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -5.777 -10.118 -10.440 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -9.386 -11.614 -7.444 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -8.040 -9.194 -10.683 1.00 0.00 H new ATOM 0 HH TYR A 96 -10.118 -9.182 -9.949 1.00 0.00 H new ATOM 1559 N GLY A 97 -2.473 -14.352 -8.350 1.00 0.00 N ATOM 1560 CA GLY A 97 -1.179 -14.947 -8.719 1.00 0.00 C ATOM 1561 C GLY A 97 0.020 -14.176 -8.187 1.00 0.00 C ATOM 1562 O GLY A 97 1.162 -14.602 -8.389 1.00 0.00 O ATOM 0 H GLY A 97 -2.595 -14.212 -7.347 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -1.139 -15.969 -8.344 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -1.111 -15.003 -9.805 1.00 0.00 H new ATOM 1566 N PHE A 98 -0.235 -13.037 -7.516 1.00 0.00 N ATOM 1567 CA PHE A 98 0.823 -12.197 -6.922 1.00 0.00 C ATOM 1568 C PHE A 98 1.383 -12.876 -5.659 1.00 0.00 C ATOM 1569 O PHE A 98 0.606 -13.314 -4.800 1.00 0.00 O ATOM 1570 CB PHE A 98 0.274 -10.788 -6.578 1.00 0.00 C ATOM 1571 CG PHE A 98 -0.340 -10.052 -7.772 1.00 0.00 C ATOM 1572 CD1 PHE A 98 0.474 -9.454 -8.736 1.00 0.00 C ATOM 1573 CD2 PHE A 98 -1.724 -9.967 -7.934 1.00 0.00 C ATOM 1574 CE1 PHE A 98 -0.077 -8.791 -9.817 1.00 0.00 C ATOM 1575 CE2 PHE A 98 -2.272 -9.303 -9.015 1.00 0.00 C ATOM 1576 CZ PHE A 98 -1.450 -8.719 -9.959 1.00 0.00 C ATOM 0 H PHE A 98 -1.177 -12.674 -7.370 1.00 0.00 H new ATOM 0 HA PHE A 98 1.627 -12.081 -7.649 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -0.480 -10.884 -5.796 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.083 -10.184 -6.168 1.00 0.00 H new ATOM 0 HD1 PHE A 98 1.548 -9.510 -8.636 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -2.375 -10.426 -7.205 1.00 0.00 H new ATOM 0 HE1 PHE A 98 0.566 -8.329 -10.551 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -3.345 -9.241 -9.122 1.00 0.00 H new ATOM 0 HZ PHE A 98 -1.880 -8.207 -10.807 1.00 0.00 H new ATOM 1586 N ARG A 99 2.729 -12.976 -5.581 1.00 0.00 N ATOM 1587 CA ARG A 99 3.449 -13.555 -4.422 1.00 0.00 C ATOM 1588 C ARG A 99 3.120 -12.782 -3.137 1.00 0.00 C ATOM 1589 O ARG A 99 3.141 -11.547 -3.119 1.00 0.00 O ATOM 1590 CB ARG A 99 4.988 -13.573 -4.704 1.00 0.00 C ATOM 1591 CG ARG A 99 5.930 -13.744 -3.476 1.00 0.00 C ATOM 1592 CD ARG A 99 5.752 -15.058 -2.698 1.00 0.00 C ATOM 1593 NE ARG A 99 6.627 -15.129 -1.513 1.00 0.00 N ATOM 1594 CZ ARG A 99 6.486 -16.004 -0.498 1.00 0.00 C ATOM 1595 NH1 ARG A 99 5.514 -16.912 -0.506 1.00 0.00 N ATOM 1596 NH2 ARG A 99 7.334 -15.970 0.521 1.00 0.00 N ATOM 0 H ARG A 99 3.350 -12.656 -6.324 1.00 0.00 H new ATOM 0 HA ARG A 99 3.119 -14.583 -4.276 1.00 0.00 H new ATOM 0 HB2 ARG A 99 5.195 -14.382 -5.405 1.00 0.00 H new ATOM 0 HB3 ARG A 99 5.251 -12.642 -5.206 1.00 0.00 H new ATOM 0 HG2 ARG A 99 6.963 -13.679 -3.818 1.00 0.00 H new ATOM 0 HG3 ARG A 99 5.767 -12.910 -2.793 1.00 0.00 H new ATOM 0 HD2 ARG A 99 4.712 -15.155 -2.386 1.00 0.00 H new ATOM 0 HD3 ARG A 99 5.967 -15.900 -3.357 1.00 0.00 H new ATOM 0 HE ARG A 99 7.399 -14.464 -1.457 1.00 0.00 H new ATOM 0 HH11 ARG A 99 4.861 -16.953 -1.289 1.00 0.00 H new ATOM 0 HH12 ARG A 99 5.422 -17.567 0.270 1.00 0.00 H new ATOM 0 HH21 ARG A 99 8.089 -15.284 0.534 1.00 0.00 H new ATOM 0 HH22 ARG A 99 7.232 -16.630 1.292 1.00 0.00 H new ATOM 1610 N MET A 100 2.804 -13.545 -2.074 1.00 0.00 N ATOM 1611 CA MET A 100 2.463 -13.011 -0.744 1.00 0.00 C ATOM 1612 C MET A 100 3.141 -13.839 0.363 1.00 0.00 C ATOM 1613 O MET A 100 3.380 -15.039 0.199 1.00 0.00 O ATOM 1614 CB MET A 100 0.929 -13.017 -0.498 1.00 0.00 C ATOM 1615 CG MET A 100 0.073 -12.255 -1.522 1.00 0.00 C ATOM 1616 SD MET A 100 -1.570 -11.856 -0.887 1.00 0.00 S ATOM 1617 CE MET A 100 -1.153 -10.708 0.429 1.00 0.00 C ATOM 0 H MET A 100 2.778 -14.564 -2.116 1.00 0.00 H new ATOM 0 HA MET A 100 2.822 -11.982 -0.715 1.00 0.00 H new ATOM 0 HB2 MET A 100 0.591 -14.053 -0.472 1.00 0.00 H new ATOM 0 HB3 MET A 100 0.739 -12.595 0.489 1.00 0.00 H new ATOM 0 HG2 MET A 100 0.584 -11.334 -1.805 1.00 0.00 H new ATOM 0 HG3 MET A 100 -0.026 -12.855 -2.427 1.00 0.00 H new ATOM 0 HE1 MET A 100 -1.932 -9.950 0.511 1.00 0.00 H new ATOM 0 HE2 MET A 100 -1.072 -11.249 1.372 1.00 0.00 H new ATOM 0 HE3 MET A 100 -0.201 -10.227 0.204 1.00 0.00 H new ATOM 1627 N VAL A 101 3.418 -13.181 1.502 1.00 0.00 N ATOM 1628 CA VAL A 101 3.933 -13.833 2.717 1.00 0.00 C ATOM 1629 C VAL A 101 2.766 -14.042 3.699 1.00 0.00 C ATOM 1630 O VAL A 101 2.308 -13.090 4.348 1.00 0.00 O ATOM 1631 CB VAL A 101 5.078 -12.993 3.405 1.00 0.00 C ATOM 1632 CG1 VAL A 101 5.584 -13.663 4.710 1.00 0.00 C ATOM 1633 CG2 VAL A 101 6.249 -12.752 2.429 1.00 0.00 C ATOM 0 H VAL A 101 3.290 -12.174 1.605 1.00 0.00 H new ATOM 0 HA VAL A 101 4.369 -14.791 2.434 1.00 0.00 H new ATOM 0 HB VAL A 101 4.649 -12.028 3.677 1.00 0.00 H new ATOM 0 HG11 VAL A 101 6.371 -13.052 5.151 1.00 0.00 H new ATOM 0 HG12 VAL A 101 4.758 -13.755 5.415 1.00 0.00 H new ATOM 0 HG13 VAL A 101 5.978 -14.653 4.481 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.025 -12.171 2.928 1.00 0.00 H new ATOM 0 HG22 VAL A 101 6.661 -13.710 2.111 1.00 0.00 H new ATOM 0 HG23 VAL A 101 5.890 -12.205 1.558 1.00 0.00 H new ATOM 1643 N TYR A 102 2.266 -15.285 3.747 1.00 0.00 N ATOM 1644 CA TYR A 102 1.213 -15.708 4.682 1.00 0.00 C ATOM 1645 C TYR A 102 1.835 -16.321 5.955 1.00 0.00 C ATOM 1646 O TYR A 102 2.513 -17.360 5.885 1.00 0.00 O ATOM 1647 CB TYR A 102 0.248 -16.717 3.991 1.00 0.00 C ATOM 1648 CG TYR A 102 -0.889 -16.061 3.187 1.00 0.00 C ATOM 1649 CD1 TYR A 102 -0.634 -15.334 2.025 1.00 0.00 C ATOM 1650 CD2 TYR A 102 -2.220 -16.158 3.610 1.00 0.00 C ATOM 1651 CE1 TYR A 102 -1.659 -14.734 1.320 1.00 0.00 C ATOM 1652 CE2 TYR A 102 -3.243 -15.561 2.904 1.00 0.00 C ATOM 1653 CZ TYR A 102 -2.958 -14.850 1.761 1.00 0.00 C ATOM 1654 OH TYR A 102 -3.978 -14.253 1.053 1.00 0.00 O ATOM 0 H TYR A 102 2.585 -16.033 3.131 1.00 0.00 H new ATOM 0 HA TYR A 102 0.635 -14.832 4.977 1.00 0.00 H new ATOM 0 HB2 TYR A 102 0.827 -17.356 3.324 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -0.188 -17.364 4.752 1.00 0.00 H new ATOM 0 HD1 TYR A 102 0.382 -15.238 1.670 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -2.450 -16.712 4.508 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -1.441 -14.174 0.423 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -4.263 -15.651 3.247 1.00 0.00 H new ATOM 0 HH TYR A 102 -4.833 -14.431 1.498 1.00 0.00 H new