USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 608 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 83 TYR OH : rot 30:sc= 0.396 USER MOD Set 1.2: A 118 THR OG1 : rot -133:sc= 0.451 USER MOD Set 2.1: A 69 SER OG : rot 171:sc= 0.798 USER MOD Set 2.2: A 80 LYS NZ :NH3+ -151:sc= 0.877 (180deg=-0.823!) USER MOD Set 3.1: A 59 TYR OH : rot 180:sc= 0.878 USER MOD Set 3.2: A 62 LYS NZ :NH3+ 169:sc= 1.01 (180deg=0) USER MOD Set 4.1: A 53 THR OG1 : rot 141:sc= -0.234 USER MOD Set 4.2: A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.038 K(o=-0.038,f=-0.81) USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 52 GLN :FLIP amide:sc= -0.0493 F(o=-1.4!,f=-0.049) USER MOD Single : A 54 SER OG : rot 180:sc= 0.00195 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -3.28 K(o=-3.3,f=-8.9!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -1.09! X(o=-1.1!,f=-0.73) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot -39:sc= 0.536 USER MOD Single : A 92 THR OG1 : rot 80:sc= -0.623! USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= 0.921 K(o=0.92,f=-0.19) USER MOD Single : A 98 GLN : amide:sc= -0.332 X(o=-0.33,f=-0.22) USER MOD Single : A 99 LYS NZ :NH3+ 172:sc= 1.2 (180deg=1.06) USER MOD Single : A 100 ASN : amide:sc= -0.0381 K(o=-0.038,f=-1.2) USER MOD Single : A 103 ASN : amide:sc= -1.14! C(o=-1.1!,f=-11!) USER MOD Single : A 105 MET CE :methyl 158:sc= -0.209 (180deg=-0.957) USER MOD Single : A 109 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 112 LYS NZ :NH3+ 143:sc= 1.22 (180deg=0.462) USER MOD Single : A 117 ASN : amide:sc=-0.00525 X(o=-0.0052,f=0) USER MOD Single : A 119 LYS NZ :NH3+ -129:sc= 2.03 (180deg=0.958) USER MOD Single : A 121 GLN : amide:sc= 0.363 K(o=0.36,f=-0.22) USER MOD Single : A 122 MET CE :methyl 164:sc= -0.0306 (180deg=-0.368) USER MOD Single : A 127 ASN :FLIP amide:sc= 0 F(o=-0.97,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 49 -17.718 -9.862 -9.968 1.00 10.99 N ATOM 2 CA ALA A 49 -16.915 -9.517 -8.772 1.00 10.59 C ATOM 3 C ALA A 49 -15.738 -8.627 -9.148 1.00 10.09 C ATOM 4 O ALA A 49 -15.463 -7.629 -8.476 1.00 10.24 O ATOM 5 CB ALA A 49 -16.415 -10.776 -8.080 1.00 10.72 C ATOM 0 HA ALA A 49 -17.558 -8.970 -8.083 1.00 10.59 H new ATOM 0 HB1 ALA A 49 -15.827 -10.501 -7.204 1.00 10.72 H new ATOM 0 HB2 ALA A 49 -17.266 -11.383 -7.770 1.00 10.72 H new ATOM 0 HB3 ALA A 49 -15.793 -11.347 -8.769 1.00 10.72 H new ATOM 13 N ASN A 50 -15.051 -8.991 -10.222 1.00 9.73 N ATOM 14 CA ASN A 50 -13.859 -8.268 -10.655 1.00 9.49 C ATOM 15 C ASN A 50 -14.223 -6.964 -11.357 1.00 9.07 C ATOM 16 O ASN A 50 -14.653 -6.963 -12.511 1.00 9.09 O ATOM 17 CB ASN A 50 -13.019 -9.145 -11.594 1.00 9.92 C ATOM 18 CG ASN A 50 -11.779 -8.434 -12.114 1.00 10.26 C ATOM 19 OD1 ASN A 50 -11.199 -7.584 -11.439 1.00 10.37 O ATOM 20 ND2 ASN A 50 -11.362 -8.781 -13.322 1.00 10.66 N ATOM 0 H ASN A 50 -15.298 -9.785 -10.812 1.00 9.73 H new ATOM 0 HA ASN A 50 -13.277 -8.026 -9.766 1.00 9.49 H new ATOM 0 HB2 ASN A 50 -12.719 -10.050 -11.066 1.00 9.92 H new ATOM 0 HB3 ASN A 50 -13.634 -9.458 -12.438 1.00 9.92 H new ATOM 0 HD21 ASN A 50 -10.534 -8.339 -13.722 1.00 10.66 H new ATOM 0 HD22 ASN A 50 -11.869 -9.490 -13.852 1.00 10.66 H new ATOM 27 N GLN A 51 -14.080 -5.860 -10.640 1.00 8.96 N ATOM 28 CA GLN A 51 -14.192 -4.538 -11.244 1.00 8.86 C ATOM 29 C GLN A 51 -12.797 -4.035 -11.579 1.00 8.35 C ATOM 30 O GLN A 51 -12.416 -3.928 -12.744 1.00 8.67 O ATOM 31 CB GLN A 51 -14.878 -3.553 -10.294 1.00 9.29 C ATOM 32 CG GLN A 51 -16.324 -3.890 -9.980 1.00 9.73 C ATOM 33 CD GLN A 51 -16.946 -2.890 -9.023 1.00 10.28 C ATOM 34 OE1 GLN A 51 -16.262 -2.319 -8.173 1.00 10.58 O ATOM 35 NE2 GLN A 51 -18.242 -2.669 -9.155 1.00 10.65 N ATOM 0 H GLN A 51 -13.886 -5.852 -9.639 1.00 8.96 H new ATOM 0 HA GLN A 51 -14.798 -4.613 -12.147 1.00 8.86 H new ATOM 0 HB2 GLN A 51 -14.316 -3.515 -9.361 1.00 9.29 H new ATOM 0 HB3 GLN A 51 -14.837 -2.556 -10.732 1.00 9.29 H new ATOM 0 HG2 GLN A 51 -16.900 -3.913 -10.905 1.00 9.73 H new ATOM 0 HG3 GLN A 51 -16.378 -4.889 -9.546 1.00 9.73 H new ATOM 0 HE21 GLN A 51 -18.773 -3.163 -9.872 1.00 10.65 H new ATOM 0 HE22 GLN A 51 -18.711 -2.005 -8.540 1.00 10.65 H new ATOM 44 N GLN A 52 -12.041 -3.738 -10.536 1.00 7.81 N ATOM 45 CA GLN A 52 -10.642 -3.369 -10.668 1.00 7.53 C ATOM 46 C GLN A 52 -9.786 -4.520 -10.169 1.00 6.60 C ATOM 47 O GLN A 52 -8.903 -5.017 -10.867 1.00 6.71 O ATOM 48 CB GLN A 52 -10.347 -2.108 -9.856 1.00 8.12 C ATOM 49 CG GLN A 52 -11.140 -0.894 -10.309 1.00 8.64 C ATOM 50 CD GLN A 52 -10.981 0.291 -9.379 1.00 9.29 C ATOM 51 OE1 GLN A 52 -10.799 0.023 -8.096 1.00 9.82 O flip ATOM 52 NE2 GLN A 52 -11.030 1.443 -9.809 1.00 9.51 N flip ATOM 0 H GLN A 52 -12.380 -3.746 -9.574 1.00 7.81 H new ATOM 0 HA GLN A 52 -10.415 -3.163 -11.714 1.00 7.53 H new ATOM 0 HB2 GLN A 52 -10.565 -2.303 -8.806 1.00 8.12 H new ATOM 0 HB3 GLN A 52 -9.283 -1.883 -9.924 1.00 8.12 H new ATOM 0 HG2 GLN A 52 -10.819 -0.609 -11.311 1.00 8.64 H new ATOM 0 HG3 GLN A 52 -12.195 -1.159 -10.375 1.00 8.64 H new ATOM 0 HE21 GLN A 52 -11.172 1.610 -10.805 1.00 9.51 H new ATOM 0 HE22 GLN A 52 -10.929 2.231 -9.169 1.00 9.51 H new ATOM 61 N THR A 53 -10.076 -4.938 -8.950 1.00 5.98 N ATOM 62 CA THR A 53 -9.420 -6.076 -8.345 1.00 5.23 C ATOM 63 C THR A 53 -10.359 -7.277 -8.316 1.00 4.28 C ATOM 64 O THR A 53 -11.578 -7.119 -8.225 1.00 4.32 O ATOM 65 CB THR A 53 -8.970 -5.728 -6.920 1.00 5.71 C ATOM 66 OG1 THR A 53 -9.968 -4.903 -6.296 1.00 6.51 O ATOM 67 CG2 THR A 53 -7.635 -4.998 -6.936 1.00 5.97 C ATOM 0 H THR A 53 -10.775 -4.495 -8.353 1.00 5.98 H new ATOM 0 HA THR A 53 -8.545 -6.331 -8.942 1.00 5.23 H new ATOM 0 HB THR A 53 -8.847 -6.652 -6.355 1.00 5.71 H new ATOM 0 HG1 THR A 53 -10.067 -5.163 -5.356 1.00 6.51 H new ATOM 0 HG21 THR A 53 -7.337 -4.762 -5.914 1.00 5.97 H new ATOM 0 HG22 THR A 53 -6.879 -5.633 -7.397 1.00 5.97 H new ATOM 0 HG23 THR A 53 -7.732 -4.075 -7.508 1.00 5.97 H new ATOM 75 N SER A 54 -9.792 -8.470 -8.417 1.00 3.92 N ATOM 76 CA SER A 54 -10.583 -9.692 -8.414 1.00 3.46 C ATOM 77 C SER A 54 -10.529 -10.383 -7.054 1.00 2.50 C ATOM 78 O SER A 54 -11.015 -11.503 -6.895 1.00 2.81 O ATOM 79 CB SER A 54 -10.078 -10.629 -9.514 1.00 4.27 C ATOM 80 OG SER A 54 -8.668 -10.765 -9.457 1.00 4.83 O ATOM 0 H SER A 54 -8.786 -8.618 -8.502 1.00 3.92 H new ATOM 0 HA SER A 54 -11.624 -9.434 -8.609 1.00 3.46 H new ATOM 0 HB2 SER A 54 -10.546 -11.608 -9.407 1.00 4.27 H new ATOM 0 HB3 SER A 54 -10.370 -10.241 -10.490 1.00 4.27 H new ATOM 0 HG SER A 54 -8.369 -11.369 -10.168 1.00 4.83 H new ATOM 86 N GLY A 55 -9.944 -9.707 -6.075 1.00 1.89 N ATOM 87 CA GLY A 55 -9.821 -10.280 -4.753 1.00 1.43 C ATOM 88 C GLY A 55 -8.701 -9.645 -3.963 1.00 1.16 C ATOM 89 O GLY A 55 -8.514 -8.429 -4.011 1.00 1.28 O ATOM 0 H GLY A 55 -9.552 -8.771 -6.175 1.00 1.89 H new ATOM 0 HA2 GLY A 55 -10.761 -10.155 -4.215 1.00 1.43 H new ATOM 0 HA3 GLY A 55 -9.643 -11.352 -4.838 1.00 1.43 H new ATOM 93 N LYS A 56 -7.942 -10.463 -3.252 1.00 0.98 N ATOM 94 CA LYS A 56 -6.854 -9.976 -2.419 1.00 0.77 C ATOM 95 C LYS A 56 -5.550 -9.918 -3.201 1.00 0.71 C ATOM 96 O LYS A 56 -5.376 -10.621 -4.199 1.00 0.78 O ATOM 97 CB LYS A 56 -6.686 -10.869 -1.186 1.00 0.83 C ATOM 98 CG LYS A 56 -7.594 -10.487 -0.029 1.00 0.96 C ATOM 99 CD LYS A 56 -9.064 -10.613 -0.382 1.00 1.29 C ATOM 100 CE LYS A 56 -9.934 -10.115 0.756 1.00 1.31 C ATOM 101 NZ LYS A 56 -11.384 -10.189 0.433 1.00 1.99 N ATOM 0 H LYS A 56 -8.061 -11.476 -3.235 1.00 0.98 H new ATOM 0 HA LYS A 56 -7.105 -8.966 -2.096 1.00 0.77 H new ATOM 0 HB2 LYS A 56 -6.885 -11.903 -1.467 1.00 0.83 H new ATOM 0 HB3 LYS A 56 -5.649 -10.823 -0.853 1.00 0.83 H new ATOM 0 HG2 LYS A 56 -7.373 -11.123 0.828 1.00 0.96 H new ATOM 0 HG3 LYS A 56 -7.382 -9.461 0.272 1.00 0.96 H new ATOM 0 HD2 LYS A 56 -9.276 -10.041 -1.285 1.00 1.29 H new ATOM 0 HD3 LYS A 56 -9.303 -11.654 -0.600 1.00 1.29 H new ATOM 0 HE2 LYS A 56 -9.733 -10.706 1.650 1.00 1.31 H new ATOM 0 HE3 LYS A 56 -9.668 -9.084 0.989 1.00 1.31 H new ATOM 0 HZ1 LYS A 56 -11.938 -9.838 1.240 1.00 1.99 H new ATOM 0 HZ2 LYS A 56 -11.584 -9.605 -0.404 1.00 1.99 H new ATOM 0 HZ3 LYS A 56 -11.646 -11.176 0.236 1.00 1.99 H new ATOM 115 N VAL A 57 -4.637 -9.080 -2.736 1.00 0.65 N ATOM 116 CA VAL A 57 -3.369 -8.878 -3.415 1.00 0.65 C ATOM 117 C VAL A 57 -2.308 -9.798 -2.832 1.00 0.69 C ATOM 118 O VAL A 57 -2.173 -9.900 -1.615 1.00 0.68 O ATOM 119 CB VAL A 57 -2.877 -7.428 -3.269 1.00 0.57 C ATOM 120 CG1 VAL A 57 -1.789 -7.126 -4.284 1.00 0.61 C ATOM 121 CG2 VAL A 57 -4.024 -6.441 -3.387 1.00 0.56 C ATOM 0 H VAL A 57 -4.752 -8.527 -1.887 1.00 0.65 H new ATOM 0 HA VAL A 57 -3.530 -9.099 -4.470 1.00 0.65 H new ATOM 0 HB VAL A 57 -2.451 -7.317 -2.272 1.00 0.57 H new ATOM 0 HG11 VAL A 57 -1.455 -6.095 -4.164 1.00 0.61 H new ATOM 0 HG12 VAL A 57 -0.948 -7.801 -4.127 1.00 0.61 H new ATOM 0 HG13 VAL A 57 -2.182 -7.265 -5.291 1.00 0.61 H new ATOM 0 HG21 VAL A 57 -3.643 -5.426 -3.279 1.00 0.56 H new ATOM 0 HG22 VAL A 57 -4.498 -6.549 -4.363 1.00 0.56 H new ATOM 0 HG23 VAL A 57 -4.756 -6.639 -2.604 1.00 0.56 H new ATOM 131 N LEU A 58 -1.551 -10.451 -3.699 1.00 0.80 N ATOM 132 CA LEU A 58 -0.510 -11.363 -3.259 1.00 0.86 C ATOM 133 C LEU A 58 0.864 -10.712 -3.402 1.00 0.85 C ATOM 134 O LEU A 58 1.278 -10.354 -4.504 1.00 0.93 O ATOM 135 CB LEU A 58 -0.562 -12.658 -4.073 1.00 1.02 C ATOM 136 CG LEU A 58 0.367 -13.767 -3.588 1.00 1.10 C ATOM 137 CD1 LEU A 58 -0.219 -14.430 -2.357 1.00 1.08 C ATOM 138 CD2 LEU A 58 0.601 -14.790 -4.691 1.00 1.27 C ATOM 0 H LEU A 58 -1.639 -10.366 -4.712 1.00 0.80 H new ATOM 0 HA LEU A 58 -0.679 -11.599 -2.208 1.00 0.86 H new ATOM 0 HB2 LEU A 58 -1.585 -13.033 -4.064 1.00 1.02 H new ATOM 0 HB3 LEU A 58 -0.316 -12.427 -5.109 1.00 1.02 H new ATOM 0 HG LEU A 58 1.330 -13.329 -3.324 1.00 1.10 H new ATOM 0 HD11 LEU A 58 0.450 -15.221 -2.016 1.00 1.08 H new ATOM 0 HD12 LEU A 58 -0.337 -13.689 -1.566 1.00 1.08 H new ATOM 0 HD13 LEU A 58 -1.191 -14.858 -2.602 1.00 1.08 H new ATOM 0 HD21 LEU A 58 1.266 -15.573 -4.326 1.00 1.27 H new ATOM 0 HD22 LEU A 58 -0.351 -15.231 -4.986 1.00 1.27 H new ATOM 0 HD23 LEU A 58 1.056 -14.300 -5.552 1.00 1.27 H new ATOM 150 N TYR A 59 1.555 -10.550 -2.285 1.00 0.81 N ATOM 151 CA TYR A 59 2.902 -9.998 -2.286 1.00 0.83 C ATOM 152 C TYR A 59 3.839 -10.954 -1.534 1.00 0.90 C ATOM 153 O TYR A 59 3.595 -11.306 -0.379 1.00 0.87 O ATOM 154 CB TYR A 59 2.909 -8.578 -1.673 1.00 0.73 C ATOM 155 CG TYR A 59 3.122 -8.547 -0.180 1.00 0.67 C ATOM 156 CD1 TYR A 59 2.145 -8.999 0.689 1.00 0.63 C ATOM 157 CD2 TYR A 59 4.321 -8.098 0.354 1.00 0.72 C ATOM 158 CE1 TYR A 59 2.359 -9.016 2.052 1.00 0.66 C ATOM 159 CE2 TYR A 59 4.538 -8.099 1.716 1.00 0.73 C ATOM 160 CZ TYR A 59 3.555 -8.563 2.561 1.00 0.71 C ATOM 161 OH TYR A 59 3.771 -8.587 3.922 1.00 0.79 O ATOM 0 H TYR A 59 1.203 -10.795 -1.359 1.00 0.81 H new ATOM 0 HA TYR A 59 3.261 -9.901 -3.311 1.00 0.83 H new ATOM 0 HB2 TYR A 59 3.693 -7.992 -2.152 1.00 0.73 H new ATOM 0 HB3 TYR A 59 1.961 -8.091 -1.903 1.00 0.73 H new ATOM 0 HD1 TYR A 59 1.201 -9.344 0.295 1.00 0.63 H new ATOM 0 HD2 TYR A 59 5.097 -7.742 -0.307 1.00 0.72 H new ATOM 0 HE1 TYR A 59 1.591 -9.383 2.717 1.00 0.66 H new ATOM 0 HE2 TYR A 59 5.473 -7.738 2.117 1.00 0.73 H new ATOM 0 HH TYR A 59 4.664 -8.235 4.118 1.00 0.79 H new ATOM 171 N GLU A 60 4.865 -11.430 -2.232 1.00 1.03 N ATOM 172 CA GLU A 60 5.873 -12.334 -1.658 1.00 1.14 C ATOM 173 C GLU A 60 5.256 -13.623 -1.115 1.00 1.16 C ATOM 174 O GLU A 60 5.877 -14.343 -0.332 1.00 1.25 O ATOM 175 CB GLU A 60 6.663 -11.636 -0.559 1.00 1.15 C ATOM 176 CG GLU A 60 7.305 -10.349 -1.019 1.00 1.21 C ATOM 177 CD GLU A 60 8.038 -9.635 0.099 1.00 2.02 C ATOM 178 OE1 GLU A 60 7.370 -9.074 0.991 1.00 3.04 O ATOM 179 OE2 GLU A 60 9.285 -9.609 0.081 1.00 1.94 O ATOM 0 H GLU A 60 5.027 -11.204 -3.213 1.00 1.03 H new ATOM 0 HA GLU A 60 6.547 -12.606 -2.470 1.00 1.14 H new ATOM 0 HB2 GLU A 60 5.999 -11.425 0.280 1.00 1.15 H new ATOM 0 HB3 GLU A 60 7.437 -12.310 -0.191 1.00 1.15 H new ATOM 0 HG2 GLU A 60 8.003 -10.564 -1.828 1.00 1.21 H new ATOM 0 HG3 GLU A 60 6.539 -9.689 -1.426 1.00 1.21 H new ATOM 186 N GLY A 61 4.040 -13.906 -1.540 1.00 1.11 N ATOM 187 CA GLY A 61 3.355 -15.108 -1.096 1.00 1.17 C ATOM 188 C GLY A 61 2.315 -14.831 -0.022 1.00 1.11 C ATOM 189 O GLY A 61 1.598 -15.736 0.396 1.00 1.23 O ATOM 0 H GLY A 61 3.507 -13.325 -2.188 1.00 1.11 H new ATOM 0 HA2 GLY A 61 2.871 -15.581 -1.950 1.00 1.17 H new ATOM 0 HA3 GLY A 61 4.088 -15.817 -0.711 1.00 1.17 H new ATOM 193 N LYS A 62 2.231 -13.588 0.427 1.00 0.99 N ATOM 194 CA LYS A 62 1.239 -13.201 1.422 1.00 0.94 C ATOM 195 C LYS A 62 0.113 -12.433 0.750 1.00 0.86 C ATOM 196 O LYS A 62 0.333 -11.755 -0.249 1.00 0.80 O ATOM 197 CB LYS A 62 1.865 -12.326 2.496 1.00 0.87 C ATOM 198 CG LYS A 62 1.066 -12.288 3.783 1.00 0.89 C ATOM 199 CD LYS A 62 1.686 -11.336 4.787 1.00 0.91 C ATOM 200 CE LYS A 62 3.153 -11.649 5.018 1.00 1.15 C ATOM 201 NZ LYS A 62 3.805 -10.629 5.880 1.00 1.52 N ATOM 0 H LYS A 62 2.838 -12.828 0.119 1.00 0.99 H new ATOM 0 HA LYS A 62 0.849 -14.106 1.887 1.00 0.94 H new ATOM 0 HB2 LYS A 62 2.869 -12.691 2.711 1.00 0.87 H new ATOM 0 HB3 LYS A 62 1.970 -11.311 2.112 1.00 0.87 H new ATOM 0 HG2 LYS A 62 0.043 -11.979 3.570 1.00 0.89 H new ATOM 0 HG3 LYS A 62 1.014 -13.289 4.211 1.00 0.89 H new ATOM 0 HD2 LYS A 62 1.583 -10.311 4.430 1.00 0.91 H new ATOM 0 HD3 LYS A 62 1.146 -11.400 5.732 1.00 0.91 H new ATOM 0 HE2 LYS A 62 3.247 -12.631 5.482 1.00 1.15 H new ATOM 0 HE3 LYS A 62 3.670 -11.699 4.059 1.00 1.15 H new ATOM 0 HZ1 LYS A 62 4.745 -10.968 6.168 1.00 1.52 H new ATOM 0 HZ2 LYS A 62 3.905 -9.739 5.351 1.00 1.52 H new ATOM 0 HZ3 LYS A 62 3.222 -10.465 6.726 1.00 1.52 H new ATOM 215 N GLU A 63 -1.081 -12.522 1.302 1.00 0.88 N ATOM 216 CA GLU A 63 -2.222 -11.814 0.743 1.00 0.82 C ATOM 217 C GLU A 63 -2.668 -10.679 1.653 1.00 0.70 C ATOM 218 O GLU A 63 -2.672 -10.807 2.878 1.00 0.74 O ATOM 219 CB GLU A 63 -3.391 -12.760 0.483 1.00 0.98 C ATOM 220 CG GLU A 63 -3.144 -13.741 -0.647 1.00 1.11 C ATOM 221 CD GLU A 63 -4.386 -14.520 -1.017 1.00 1.37 C ATOM 222 OE1 GLU A 63 -4.791 -15.403 -0.236 1.00 1.49 O ATOM 223 OE2 GLU A 63 -4.969 -14.245 -2.087 1.00 1.59 O ATOM 0 H GLU A 63 -1.289 -13.075 2.134 1.00 0.88 H new ATOM 0 HA GLU A 63 -1.900 -11.391 -0.209 1.00 0.82 H new ATOM 0 HB2 GLU A 63 -3.605 -13.317 1.395 1.00 0.98 H new ATOM 0 HB3 GLU A 63 -4.279 -12.171 0.253 1.00 0.98 H new ATOM 0 HG2 GLU A 63 -2.784 -13.200 -1.522 1.00 1.11 H new ATOM 0 HG3 GLU A 63 -2.356 -14.436 -0.356 1.00 1.11 H new ATOM 230 N PHE A 64 -3.036 -9.570 1.031 1.00 0.59 N ATOM 231 CA PHE A 64 -3.510 -8.393 1.740 1.00 0.49 C ATOM 232 C PHE A 64 -4.691 -7.771 1.016 1.00 0.47 C ATOM 233 O PHE A 64 -5.012 -8.174 -0.102 1.00 0.54 O ATOM 234 CB PHE A 64 -2.385 -7.368 1.880 1.00 0.39 C ATOM 235 CG PHE A 64 -1.657 -7.463 3.188 1.00 0.43 C ATOM 236 CD1 PHE A 64 -2.161 -6.859 4.325 1.00 0.53 C ATOM 237 CD2 PHE A 64 -0.470 -8.162 3.282 1.00 0.46 C ATOM 238 CE1 PHE A 64 -1.491 -6.952 5.530 1.00 0.63 C ATOM 239 CE2 PHE A 64 0.206 -8.257 4.483 1.00 0.56 C ATOM 240 CZ PHE A 64 -0.306 -7.653 5.609 1.00 0.64 C ATOM 0 H PHE A 64 -3.014 -9.461 0.017 1.00 0.59 H new ATOM 0 HA PHE A 64 -3.834 -8.701 2.734 1.00 0.49 H new ATOM 0 HB2 PHE A 64 -1.674 -7.505 1.065 1.00 0.39 H new ATOM 0 HB3 PHE A 64 -2.800 -6.366 1.775 1.00 0.39 H new ATOM 0 HD1 PHE A 64 -3.089 -6.308 4.271 1.00 0.53 H new ATOM 0 HD2 PHE A 64 -0.064 -8.642 2.404 1.00 0.46 H new ATOM 0 HE1 PHE A 64 -1.896 -6.475 6.411 1.00 0.63 H new ATOM 0 HE2 PHE A 64 1.135 -8.805 4.538 1.00 0.56 H new ATOM 0 HZ PHE A 64 0.218 -7.728 6.550 1.00 0.64 H new ATOM 250 N ASP A 65 -5.331 -6.794 1.652 1.00 0.42 N ATOM 251 CA ASP A 65 -6.487 -6.124 1.057 1.00 0.42 C ATOM 252 C ASP A 65 -6.089 -5.459 -0.252 1.00 0.39 C ATOM 253 O ASP A 65 -6.472 -5.907 -1.334 1.00 0.45 O ATOM 254 CB ASP A 65 -7.086 -5.068 1.999 1.00 0.43 C ATOM 255 CG ASP A 65 -7.790 -5.653 3.210 1.00 0.66 C ATOM 256 OD1 ASP A 65 -8.028 -6.879 3.219 1.00 1.23 O ATOM 257 OD2 ASP A 65 -8.097 -4.901 4.160 1.00 1.04 O ATOM 0 H ASP A 65 -5.071 -6.448 2.576 1.00 0.42 H new ATOM 0 HA ASP A 65 -7.245 -6.886 0.875 1.00 0.42 H new ATOM 0 HB2 ASP A 65 -6.290 -4.405 2.339 1.00 0.43 H new ATOM 0 HB3 ASP A 65 -7.794 -4.456 1.440 1.00 0.43 H new ATOM 262 N TYR A 66 -5.307 -4.394 -0.146 1.00 0.33 N ATOM 263 CA TYR A 66 -4.821 -3.676 -1.314 1.00 0.33 C ATOM 264 C TYR A 66 -3.374 -3.254 -1.120 1.00 0.30 C ATOM 265 O TYR A 66 -3.097 -2.288 -0.417 1.00 0.28 O ATOM 266 CB TYR A 66 -5.682 -2.439 -1.588 1.00 0.36 C ATOM 267 CG TYR A 66 -7.079 -2.757 -2.064 1.00 0.44 C ATOM 268 CD1 TYR A 66 -7.303 -3.162 -3.372 1.00 0.61 C ATOM 269 CD2 TYR A 66 -8.170 -2.660 -1.211 1.00 0.49 C ATOM 270 CE1 TYR A 66 -8.572 -3.461 -3.818 1.00 0.75 C ATOM 271 CE2 TYR A 66 -9.445 -2.957 -1.651 1.00 0.64 C ATOM 272 CZ TYR A 66 -9.639 -3.359 -2.955 1.00 0.74 C ATOM 273 OH TYR A 66 -10.907 -3.661 -3.402 1.00 0.92 O ATOM 0 H TYR A 66 -4.994 -4.007 0.744 1.00 0.33 H new ATOM 0 HA TYR A 66 -4.885 -4.349 -2.169 1.00 0.33 H new ATOM 0 HB2 TYR A 66 -5.746 -1.844 -0.677 1.00 0.36 H new ATOM 0 HB3 TYR A 66 -5.186 -1.822 -2.337 1.00 0.36 H new ATOM 0 HD1 TYR A 66 -6.468 -3.244 -4.052 1.00 0.61 H new ATOM 0 HD2 TYR A 66 -8.019 -2.348 -0.188 1.00 0.49 H new ATOM 0 HE1 TYR A 66 -8.728 -3.774 -4.840 1.00 0.75 H new ATOM 0 HE2 TYR A 66 -10.285 -2.875 -0.977 1.00 0.64 H new ATOM 0 HH TYR A 66 -11.549 -3.540 -2.671 1.00 0.92 H new ATOM 283 N VAL A 67 -2.443 -3.989 -1.715 1.00 0.33 N ATOM 284 CA VAL A 67 -1.050 -3.580 -1.679 1.00 0.31 C ATOM 285 C VAL A 67 -0.769 -2.674 -2.874 1.00 0.33 C ATOM 286 O VAL A 67 -1.260 -2.914 -3.981 1.00 0.41 O ATOM 287 CB VAL A 67 -0.058 -4.784 -1.630 1.00 0.33 C ATOM 288 CG1 VAL A 67 -0.730 -5.994 -1.000 1.00 0.36 C ATOM 289 CG2 VAL A 67 0.533 -5.128 -2.992 1.00 0.41 C ATOM 0 H VAL A 67 -2.625 -4.857 -2.220 1.00 0.33 H new ATOM 0 HA VAL A 67 -0.884 -3.032 -0.752 1.00 0.31 H new ATOM 0 HB VAL A 67 0.783 -4.479 -1.007 1.00 0.33 H new ATOM 0 HG11 VAL A 67 -0.027 -6.827 -0.972 1.00 0.36 H new ATOM 0 HG12 VAL A 67 -1.043 -5.749 0.015 1.00 0.36 H new ATOM 0 HG13 VAL A 67 -1.602 -6.275 -1.591 1.00 0.36 H new ATOM 0 HG21 VAL A 67 1.214 -5.973 -2.890 1.00 0.41 H new ATOM 0 HG22 VAL A 67 -0.270 -5.390 -3.681 1.00 0.41 H new ATOM 0 HG23 VAL A 67 1.078 -4.267 -3.380 1.00 0.41 H new ATOM 299 N PHE A 68 -0.018 -1.615 -2.639 1.00 0.28 N ATOM 300 CA PHE A 68 0.273 -0.634 -3.674 1.00 0.30 C ATOM 301 C PHE A 68 1.533 -1.020 -4.429 1.00 0.27 C ATOM 302 O PHE A 68 2.465 -1.559 -3.851 1.00 0.24 O ATOM 303 CB PHE A 68 0.445 0.753 -3.049 1.00 0.30 C ATOM 304 CG PHE A 68 0.848 1.820 -4.030 1.00 0.35 C ATOM 305 CD1 PHE A 68 0.085 2.080 -5.155 1.00 0.41 C ATOM 306 CD2 PHE A 68 1.999 2.556 -3.825 1.00 0.37 C ATOM 307 CE1 PHE A 68 0.469 3.058 -6.055 1.00 0.46 C ATOM 308 CE2 PHE A 68 2.386 3.537 -4.719 1.00 0.44 C ATOM 309 CZ PHE A 68 1.619 3.786 -5.837 1.00 0.48 C ATOM 0 H PHE A 68 0.406 -1.409 -1.734 1.00 0.28 H new ATOM 0 HA PHE A 68 -0.562 -0.609 -4.374 1.00 0.30 H new ATOM 0 HB2 PHE A 68 -0.492 1.045 -2.574 1.00 0.30 H new ATOM 0 HB3 PHE A 68 1.197 0.695 -2.262 1.00 0.30 H new ATOM 0 HD1 PHE A 68 -0.818 1.515 -5.332 1.00 0.41 H new ATOM 0 HD2 PHE A 68 2.606 2.362 -2.953 1.00 0.37 H new ATOM 0 HE1 PHE A 68 -0.134 3.251 -6.930 1.00 0.46 H new ATOM 0 HE2 PHE A 68 3.286 4.106 -4.542 1.00 0.44 H new ATOM 0 HZ PHE A 68 1.918 4.549 -6.540 1.00 0.48 H new ATOM 319 N SER A 69 1.551 -0.746 -5.718 1.00 0.32 N ATOM 320 CA SER A 69 2.703 -1.053 -6.532 1.00 0.32 C ATOM 321 C SER A 69 3.531 0.206 -6.730 1.00 0.36 C ATOM 322 O SER A 69 3.071 1.186 -7.323 1.00 0.44 O ATOM 323 CB SER A 69 2.253 -1.623 -7.871 1.00 0.42 C ATOM 324 OG SER A 69 3.330 -2.233 -8.556 1.00 1.38 O ATOM 0 H SER A 69 0.778 -0.311 -6.222 1.00 0.32 H new ATOM 0 HA SER A 69 3.318 -1.801 -6.032 1.00 0.32 H new ATOM 0 HB2 SER A 69 1.460 -2.354 -7.710 1.00 0.42 H new ATOM 0 HB3 SER A 69 1.832 -0.827 -8.485 1.00 0.42 H new ATOM 0 HG SER A 69 2.989 -2.715 -9.338 1.00 1.38 H new ATOM 330 N ILE A 70 4.745 0.172 -6.222 1.00 0.34 N ATOM 331 CA ILE A 70 5.609 1.334 -6.204 1.00 0.43 C ATOM 332 C ILE A 70 6.697 1.219 -7.257 1.00 0.45 C ATOM 333 O ILE A 70 7.497 0.280 -7.245 1.00 0.43 O ATOM 334 CB ILE A 70 6.251 1.523 -4.816 1.00 0.48 C ATOM 335 CG1 ILE A 70 5.170 1.580 -3.734 1.00 0.52 C ATOM 336 CG2 ILE A 70 7.117 2.779 -4.787 1.00 0.64 C ATOM 337 CD1 ILE A 70 5.682 2.000 -2.379 1.00 0.51 C ATOM 0 H ILE A 70 5.161 -0.663 -5.809 1.00 0.34 H new ATOM 0 HA ILE A 70 4.991 2.204 -6.428 1.00 0.43 H new ATOM 0 HB ILE A 70 6.895 0.667 -4.613 1.00 0.48 H new ATOM 0 HG12 ILE A 70 4.391 2.275 -4.049 1.00 0.52 H new ATOM 0 HG13 ILE A 70 4.705 0.598 -3.647 1.00 0.52 H new ATOM 0 HG21 ILE A 70 7.560 2.893 -3.798 1.00 0.64 H new ATOM 0 HG22 ILE A 70 7.908 2.692 -5.531 1.00 0.64 H new ATOM 0 HG23 ILE A 70 6.502 3.650 -5.011 1.00 0.64 H new ATOM 0 HD11 ILE A 70 4.857 2.016 -1.667 1.00 0.51 H new ATOM 0 HD12 ILE A 70 6.439 1.292 -2.041 1.00 0.51 H new ATOM 0 HD13 ILE A 70 6.121 2.995 -2.448 1.00 0.51 H new ATOM 349 N ASP A 71 6.718 2.185 -8.160 1.00 0.60 N ATOM 350 CA ASP A 71 7.714 2.236 -9.217 1.00 0.75 C ATOM 351 C ASP A 71 9.010 2.839 -8.693 1.00 0.76 C ATOM 352 O ASP A 71 8.993 3.696 -7.806 1.00 0.87 O ATOM 353 CB ASP A 71 7.196 3.057 -10.405 1.00 1.02 C ATOM 354 CG ASP A 71 6.973 4.517 -10.061 1.00 1.89 C ATOM 355 OD1 ASP A 71 5.954 4.829 -9.406 1.00 2.51 O ATOM 356 OD2 ASP A 71 7.809 5.362 -10.456 1.00 2.58 O ATOM 0 H ASP A 71 6.048 2.953 -8.181 1.00 0.60 H new ATOM 0 HA ASP A 71 7.909 1.218 -9.555 1.00 0.75 H new ATOM 0 HB2 ASP A 71 7.909 2.987 -11.227 1.00 1.02 H new ATOM 0 HB3 ASP A 71 6.260 2.625 -10.758 1.00 1.02 H new ATOM 361 N VAL A 72 10.130 2.370 -9.223 1.00 0.87 N ATOM 362 CA VAL A 72 11.433 2.887 -8.832 1.00 0.97 C ATOM 363 C VAL A 72 12.486 2.567 -9.898 1.00 1.04 C ATOM 364 O VAL A 72 13.248 3.443 -10.309 1.00 1.14 O ATOM 365 CB VAL A 72 11.877 2.349 -7.446 1.00 1.08 C ATOM 366 CG1 VAL A 72 11.896 0.828 -7.424 1.00 1.20 C ATOM 367 CG2 VAL A 72 13.235 2.911 -7.053 1.00 1.37 C ATOM 0 H VAL A 72 10.163 1.631 -9.926 1.00 0.87 H new ATOM 0 HA VAL A 72 11.340 3.970 -8.747 1.00 0.97 H new ATOM 0 HB VAL A 72 11.145 2.685 -6.712 1.00 1.08 H new ATOM 0 HG11 VAL A 72 12.211 0.482 -6.439 1.00 1.20 H new ATOM 0 HG12 VAL A 72 10.897 0.448 -7.639 1.00 1.20 H new ATOM 0 HG13 VAL A 72 12.593 0.462 -8.177 1.00 1.20 H new ATOM 0 HG21 VAL A 72 13.523 2.518 -6.078 1.00 1.37 H new ATOM 0 HG22 VAL A 72 13.978 2.620 -7.795 1.00 1.37 H new ATOM 0 HG23 VAL A 72 13.178 3.998 -7.004 1.00 1.37 H new ATOM 377 N ASN A 73 12.512 1.317 -10.348 1.00 1.12 N ATOM 378 CA ASN A 73 13.431 0.901 -11.399 1.00 1.26 C ATOM 379 C ASN A 73 12.648 0.492 -12.641 1.00 1.27 C ATOM 380 O ASN A 73 11.812 -0.409 -12.580 1.00 1.30 O ATOM 381 CB ASN A 73 14.311 -0.258 -10.916 1.00 1.47 C ATOM 382 CG ASN A 73 15.376 -0.657 -11.927 1.00 2.10 C ATOM 383 OD1 ASN A 73 15.728 -1.833 -12.044 1.00 2.80 O ATOM 384 ND2 ASN A 73 15.930 0.316 -12.634 1.00 2.72 N ATOM 0 H ASN A 73 11.906 0.574 -10.000 1.00 1.12 H new ATOM 0 HA ASN A 73 14.079 1.740 -11.651 1.00 1.26 H new ATOM 0 HB2 ASN A 73 14.794 0.025 -9.981 1.00 1.47 H new ATOM 0 HB3 ASN A 73 13.680 -1.121 -10.701 1.00 1.47 H new ATOM 0 HD21 ASN A 73 16.672 0.103 -13.300 1.00 2.72 H new ATOM 0 HD22 ASN A 73 15.614 1.278 -12.512 1.00 2.72 H new ATOM 391 N GLU A 74 12.902 1.179 -13.751 1.00 1.36 N ATOM 392 CA GLU A 74 12.226 0.896 -15.016 1.00 1.47 C ATOM 393 C GLU A 74 12.549 -0.517 -15.488 1.00 1.66 C ATOM 394 O GLU A 74 13.694 -0.822 -15.827 1.00 1.85 O ATOM 395 CB GLU A 74 12.639 1.898 -16.106 1.00 1.58 C ATOM 396 CG GLU A 74 12.542 3.361 -15.697 1.00 1.92 C ATOM 397 CD GLU A 74 13.718 3.815 -14.861 1.00 2.42 C ATOM 398 OE1 GLU A 74 14.777 4.143 -15.441 1.00 2.76 O ATOM 399 OE2 GLU A 74 13.602 3.829 -13.621 1.00 3.10 O ATOM 0 H GLU A 74 13.577 1.942 -13.801 1.00 1.36 H new ATOM 0 HA GLU A 74 11.154 0.989 -14.842 1.00 1.47 H new ATOM 0 HB2 GLU A 74 13.666 1.686 -16.405 1.00 1.58 H new ATOM 0 HB3 GLU A 74 12.012 1.738 -16.983 1.00 1.58 H new ATOM 0 HG2 GLU A 74 12.478 3.980 -16.592 1.00 1.92 H new ATOM 0 HG3 GLU A 74 11.621 3.516 -15.135 1.00 1.92 H new ATOM 406 N GLY A 75 11.538 -1.371 -15.509 1.00 1.72 N ATOM 407 CA GLY A 75 11.746 -2.751 -15.897 1.00 1.98 C ATOM 408 C GLY A 75 12.595 -3.484 -14.886 1.00 1.93 C ATOM 409 O GLY A 75 13.457 -4.292 -15.240 1.00 2.40 O ATOM 0 H GLY A 75 10.577 -1.134 -15.264 1.00 1.72 H new ATOM 0 HA2 GLY A 75 10.783 -3.252 -15.997 1.00 1.98 H new ATOM 0 HA3 GLY A 75 12.228 -2.787 -16.874 1.00 1.98 H new ATOM 413 N GLY A 76 12.344 -3.192 -13.621 1.00 1.65 N ATOM 414 CA GLY A 76 13.140 -3.736 -12.547 1.00 1.58 C ATOM 415 C GLY A 76 12.327 -3.950 -11.291 1.00 1.36 C ATOM 416 O GLY A 76 11.092 -3.940 -11.342 1.00 1.30 O ATOM 0 H GLY A 76 11.589 -2.577 -13.317 1.00 1.65 H new ATOM 0 HA2 GLY A 76 13.575 -4.684 -12.863 1.00 1.58 H new ATOM 0 HA3 GLY A 76 13.968 -3.061 -12.332 1.00 1.58 H new ATOM 420 N PRO A 77 12.997 -4.160 -10.149 1.00 1.34 N ATOM 421 CA PRO A 77 12.338 -4.431 -8.868 1.00 1.20 C ATOM 422 C PRO A 77 11.300 -3.371 -8.515 1.00 0.98 C ATOM 423 O PRO A 77 11.550 -2.170 -8.632 1.00 1.03 O ATOM 424 CB PRO A 77 13.487 -4.410 -7.849 1.00 1.39 C ATOM 425 CG PRO A 77 14.641 -3.789 -8.559 1.00 1.59 C ATOM 426 CD PRO A 77 14.458 -4.121 -10.009 1.00 1.55 C ATOM 0 HA PRO A 77 11.792 -5.374 -8.890 1.00 1.20 H new ATOM 0 HB2 PRO A 77 13.216 -3.835 -6.964 1.00 1.39 H new ATOM 0 HB3 PRO A 77 13.730 -5.418 -7.512 1.00 1.39 H new ATOM 0 HG2 PRO A 77 14.660 -2.710 -8.405 1.00 1.59 H new ATOM 0 HG3 PRO A 77 15.587 -4.181 -8.185 1.00 1.59 H new ATOM 0 HD2 PRO A 77 14.907 -3.368 -10.657 1.00 1.55 H new ATOM 0 HD3 PRO A 77 14.915 -5.076 -10.267 1.00 1.55 H new ATOM 434 N SER A 78 10.133 -3.825 -8.097 1.00 0.87 N ATOM 435 CA SER A 78 9.062 -2.925 -7.717 1.00 0.69 C ATOM 436 C SER A 78 8.665 -3.163 -6.263 1.00 0.53 C ATOM 437 O SER A 78 8.735 -4.289 -5.765 1.00 0.64 O ATOM 438 CB SER A 78 7.862 -3.122 -8.645 1.00 0.86 C ATOM 439 OG SER A 78 8.250 -2.978 -10.004 1.00 1.55 O ATOM 0 H SER A 78 9.903 -4.815 -8.012 1.00 0.87 H new ATOM 0 HA SER A 78 9.409 -1.896 -7.813 1.00 0.69 H new ATOM 0 HB2 SER A 78 7.432 -4.111 -8.487 1.00 0.86 H new ATOM 0 HB3 SER A 78 7.086 -2.395 -8.404 1.00 0.86 H new ATOM 0 HG SER A 78 7.470 -3.109 -10.583 1.00 1.55 H new ATOM 445 N TYR A 79 8.258 -2.100 -5.587 1.00 0.36 N ATOM 446 CA TYR A 79 7.889 -2.174 -4.188 1.00 0.35 C ATOM 447 C TYR A 79 6.391 -2.382 -4.067 1.00 0.32 C ATOM 448 O TYR A 79 5.628 -1.854 -4.867 1.00 0.43 O ATOM 449 CB TYR A 79 8.286 -0.877 -3.476 1.00 0.43 C ATOM 450 CG TYR A 79 9.779 -0.645 -3.379 1.00 0.54 C ATOM 451 CD1 TYR A 79 10.621 -1.609 -2.842 1.00 0.69 C ATOM 452 CD2 TYR A 79 10.344 0.546 -3.819 1.00 0.75 C ATOM 453 CE1 TYR A 79 11.983 -1.393 -2.746 1.00 0.80 C ATOM 454 CE2 TYR A 79 11.705 0.769 -3.724 1.00 0.89 C ATOM 455 CZ TYR A 79 12.520 -0.203 -3.186 1.00 0.83 C ATOM 456 OH TYR A 79 13.876 0.017 -3.083 1.00 1.00 O ATOM 0 H TYR A 79 8.175 -1.168 -5.993 1.00 0.36 H new ATOM 0 HA TYR A 79 8.410 -3.011 -3.724 1.00 0.35 H new ATOM 0 HB2 TYR A 79 7.834 -0.036 -4.002 1.00 0.43 H new ATOM 0 HB3 TYR A 79 7.867 -0.887 -2.470 1.00 0.43 H new ATOM 0 HD1 TYR A 79 10.205 -2.543 -2.494 1.00 0.69 H new ATOM 0 HD2 TYR A 79 9.709 1.310 -4.242 1.00 0.75 H new ATOM 0 HE1 TYR A 79 12.624 -2.155 -2.327 1.00 0.80 H new ATOM 0 HE2 TYR A 79 12.127 1.701 -4.070 1.00 0.89 H new ATOM 0 HH TYR A 79 14.091 0.904 -3.439 1.00 1.00 H new ATOM 466 N LYS A 80 5.958 -3.162 -3.091 1.00 0.23 N ATOM 467 CA LYS A 80 4.530 -3.349 -2.881 1.00 0.21 C ATOM 468 C LYS A 80 4.153 -2.952 -1.461 1.00 0.19 C ATOM 469 O LYS A 80 4.794 -3.375 -0.505 1.00 0.20 O ATOM 470 CB LYS A 80 4.099 -4.799 -3.146 1.00 0.25 C ATOM 471 CG LYS A 80 4.577 -5.356 -4.476 1.00 0.29 C ATOM 472 CD LYS A 80 4.093 -4.534 -5.664 1.00 0.30 C ATOM 473 CE LYS A 80 2.745 -5.014 -6.179 1.00 0.48 C ATOM 474 NZ LYS A 80 2.620 -4.822 -7.650 1.00 0.80 N ATOM 0 H LYS A 80 6.560 -3.668 -2.442 1.00 0.23 H new ATOM 0 HA LYS A 80 4.008 -2.709 -3.592 1.00 0.21 H new ATOM 0 HB2 LYS A 80 4.477 -5.431 -2.343 1.00 0.25 H new ATOM 0 HB3 LYS A 80 3.011 -4.855 -3.111 1.00 0.25 H new ATOM 0 HG2 LYS A 80 5.666 -5.389 -4.481 1.00 0.29 H new ATOM 0 HG3 LYS A 80 4.227 -6.383 -4.583 1.00 0.29 H new ATOM 0 HD2 LYS A 80 4.017 -3.486 -5.373 1.00 0.30 H new ATOM 0 HD3 LYS A 80 4.828 -4.590 -6.467 1.00 0.30 H new ATOM 0 HE2 LYS A 80 2.617 -6.069 -5.937 1.00 0.48 H new ATOM 0 HE3 LYS A 80 1.947 -4.472 -5.672 1.00 0.48 H new ATOM 0 HZ1 LYS A 80 1.620 -4.679 -7.898 1.00 0.80 H new ATOM 0 HZ2 LYS A 80 3.171 -3.989 -7.939 1.00 0.80 H new ATOM 0 HZ3 LYS A 80 2.981 -5.664 -8.142 1.00 0.80 H new ATOM 488 N LEU A 81 3.111 -2.146 -1.333 1.00 0.20 N ATOM 489 CA LEU A 81 2.695 -1.617 -0.039 1.00 0.18 C ATOM 490 C LEU A 81 1.360 -2.226 0.390 1.00 0.19 C ATOM 491 O LEU A 81 0.302 -1.687 0.078 1.00 0.20 O ATOM 492 CB LEU A 81 2.543 -0.103 -0.146 1.00 0.19 C ATOM 493 CG LEU A 81 2.953 0.716 1.073 1.00 0.19 C ATOM 494 CD1 LEU A 81 2.200 2.023 1.077 1.00 0.23 C ATOM 495 CD2 LEU A 81 2.708 -0.047 2.361 1.00 0.20 C ATOM 0 H LEU A 81 2.532 -1.840 -2.115 1.00 0.20 H new ATOM 0 HA LEU A 81 3.450 -1.871 0.704 1.00 0.18 H new ATOM 0 HB2 LEU A 81 3.131 0.238 -0.998 1.00 0.19 H new ATOM 0 HB3 LEU A 81 1.499 0.119 -0.369 1.00 0.19 H new ATOM 0 HG LEU A 81 4.023 0.916 1.013 1.00 0.19 H new ATOM 0 HD11 LEU A 81 2.493 2.609 1.948 1.00 0.23 H new ATOM 0 HD12 LEU A 81 2.434 2.580 0.170 1.00 0.23 H new ATOM 0 HD13 LEU A 81 1.129 1.826 1.116 1.00 0.23 H new ATOM 0 HD21 LEU A 81 3.011 0.566 3.210 1.00 0.20 H new ATOM 0 HD22 LEU A 81 1.648 -0.286 2.446 1.00 0.20 H new ATOM 0 HD23 LEU A 81 3.289 -0.969 2.354 1.00 0.20 H new ATOM 507 N PRO A 82 1.396 -3.354 1.103 1.00 0.22 N ATOM 508 CA PRO A 82 0.194 -4.034 1.605 1.00 0.23 C ATOM 509 C PRO A 82 -0.618 -3.184 2.582 1.00 0.20 C ATOM 510 O PRO A 82 -0.182 -2.911 3.700 1.00 0.19 O ATOM 511 CB PRO A 82 0.754 -5.268 2.312 1.00 0.28 C ATOM 512 CG PRO A 82 2.101 -5.461 1.723 1.00 0.31 C ATOM 513 CD PRO A 82 2.617 -4.082 1.455 1.00 0.27 C ATOM 0 HA PRO A 82 -0.501 -4.259 0.796 1.00 0.23 H new ATOM 0 HB2 PRO A 82 0.811 -5.115 3.390 1.00 0.28 H new ATOM 0 HB3 PRO A 82 0.121 -6.140 2.147 1.00 0.28 H new ATOM 0 HG2 PRO A 82 2.756 -6.000 2.408 1.00 0.31 H new ATOM 0 HG3 PRO A 82 2.049 -6.046 0.805 1.00 0.31 H new ATOM 0 HD2 PRO A 82 3.107 -3.654 2.329 1.00 0.27 H new ATOM 0 HD3 PRO A 82 3.345 -4.071 0.644 1.00 0.27 H new ATOM 521 N TYR A 83 -1.807 -2.789 2.153 1.00 0.22 N ATOM 522 CA TYR A 83 -2.674 -1.931 2.948 1.00 0.21 C ATOM 523 C TYR A 83 -4.007 -2.614 3.234 1.00 0.21 C ATOM 524 O TYR A 83 -4.679 -3.083 2.317 1.00 0.22 O ATOM 525 CB TYR A 83 -2.897 -0.609 2.197 1.00 0.27 C ATOM 526 CG TYR A 83 -3.938 0.316 2.801 1.00 0.41 C ATOM 527 CD1 TYR A 83 -3.939 0.623 4.155 1.00 0.50 C ATOM 528 CD2 TYR A 83 -4.912 0.901 1.999 1.00 0.62 C ATOM 529 CE1 TYR A 83 -4.877 1.480 4.693 1.00 0.73 C ATOM 530 CE2 TYR A 83 -5.857 1.758 2.532 1.00 0.82 C ATOM 531 CZ TYR A 83 -5.834 2.045 3.880 1.00 0.86 C ATOM 532 OH TYR A 83 -6.764 2.904 4.419 1.00 1.10 O ATOM 0 H TYR A 83 -2.197 -3.052 1.248 1.00 0.22 H new ATOM 0 HA TYR A 83 -2.195 -1.731 3.906 1.00 0.21 H new ATOM 0 HB2 TYR A 83 -1.948 -0.076 2.146 1.00 0.27 H new ATOM 0 HB3 TYR A 83 -3.190 -0.838 1.172 1.00 0.27 H new ATOM 0 HD1 TYR A 83 -3.192 0.183 4.799 1.00 0.50 H new ATOM 0 HD2 TYR A 83 -4.931 0.682 0.942 1.00 0.62 H new ATOM 0 HE1 TYR A 83 -4.861 1.707 5.749 1.00 0.73 H new ATOM 0 HE2 TYR A 83 -6.609 2.200 1.896 1.00 0.82 H new ATOM 0 HH TYR A 83 -6.372 3.371 5.186 1.00 1.10 H new ATOM 542 N ASN A 84 -4.367 -2.696 4.512 1.00 0.27 N ATOM 543 CA ASN A 84 -5.702 -3.140 4.902 1.00 0.31 C ATOM 544 C ASN A 84 -6.534 -1.910 5.187 1.00 0.32 C ATOM 545 O ASN A 84 -6.035 -0.948 5.759 1.00 0.39 O ATOM 546 CB ASN A 84 -5.678 -4.025 6.155 1.00 0.44 C ATOM 547 CG ASN A 84 -4.677 -5.150 6.074 1.00 1.14 C ATOM 548 OD1 ASN A 84 -4.942 -6.194 5.479 1.00 1.98 O ATOM 549 ND2 ASN A 84 -3.537 -4.964 6.717 1.00 2.00 N ATOM 0 H ASN A 84 -3.755 -2.461 5.293 1.00 0.27 H new ATOM 0 HA ASN A 84 -6.120 -3.735 4.090 1.00 0.31 H new ATOM 0 HB2 ASN A 84 -5.449 -3.407 7.023 1.00 0.44 H new ATOM 0 HB3 ASN A 84 -6.672 -4.443 6.314 1.00 0.44 H new ATOM 0 HD21 ASN A 84 -2.834 -5.703 6.733 1.00 2.00 H new ATOM 0 HD22 ASN A 84 -3.360 -4.081 7.197 1.00 2.00 H new ATOM 556 N THR A 85 -7.802 -1.942 4.824 1.00 0.32 N ATOM 557 CA THR A 85 -8.624 -0.734 4.841 1.00 0.34 C ATOM 558 C THR A 85 -8.881 -0.207 6.255 1.00 0.35 C ATOM 559 O THR A 85 -9.430 0.879 6.428 1.00 0.40 O ATOM 560 CB THR A 85 -9.963 -0.955 4.112 1.00 0.37 C ATOM 561 OG1 THR A 85 -10.751 -1.956 4.775 1.00 0.38 O ATOM 562 CG2 THR A 85 -9.698 -1.382 2.683 1.00 0.41 C ATOM 0 H THR A 85 -8.289 -2.783 4.514 1.00 0.32 H new ATOM 0 HA THR A 85 -8.049 0.024 4.309 1.00 0.34 H new ATOM 0 HB THR A 85 -10.519 -0.017 4.122 1.00 0.37 H new ATOM 0 HG1 THR A 85 -11.597 -2.078 4.295 1.00 0.38 H new ATOM 0 HG21 THR A 85 -10.646 -1.538 2.168 1.00 0.41 H new ATOM 0 HG22 THR A 85 -9.130 -0.605 2.171 1.00 0.41 H new ATOM 0 HG23 THR A 85 -9.127 -2.310 2.681 1.00 0.41 H new ATOM 570 N SER A 86 -8.473 -0.969 7.256 1.00 0.33 N ATOM 571 CA SER A 86 -8.637 -0.558 8.642 1.00 0.37 C ATOM 572 C SER A 86 -7.298 -0.105 9.233 1.00 0.31 C ATOM 573 O SER A 86 -7.167 0.066 10.446 1.00 0.33 O ATOM 574 CB SER A 86 -9.226 -1.707 9.467 1.00 0.49 C ATOM 575 OG SER A 86 -9.580 -1.283 10.776 1.00 1.30 O ATOM 0 H SER A 86 -8.025 -1.877 7.135 1.00 0.33 H new ATOM 0 HA SER A 86 -9.327 0.286 8.675 1.00 0.37 H new ATOM 0 HB2 SER A 86 -10.107 -2.104 8.962 1.00 0.49 H new ATOM 0 HB3 SER A 86 -8.501 -2.519 9.530 1.00 0.49 H new ATOM 0 HG SER A 86 -8.905 -0.656 11.110 1.00 1.30 H new ATOM 581 N ASP A 87 -6.299 0.077 8.380 1.00 0.29 N ATOM 582 CA ASP A 87 -4.982 0.507 8.845 1.00 0.28 C ATOM 583 C ASP A 87 -4.730 1.972 8.523 1.00 0.20 C ATOM 584 O ASP A 87 -5.287 2.518 7.570 1.00 0.22 O ATOM 585 CB ASP A 87 -3.876 -0.351 8.227 1.00 0.38 C ATOM 586 CG ASP A 87 -3.699 -1.674 8.937 1.00 0.93 C ATOM 587 OD1 ASP A 87 -3.459 -1.673 10.160 1.00 1.55 O ATOM 588 OD2 ASP A 87 -3.808 -2.727 8.276 1.00 1.37 O ATOM 0 H ASP A 87 -6.371 -0.064 7.372 1.00 0.29 H new ATOM 0 HA ASP A 87 -4.967 0.382 9.928 1.00 0.28 H new ATOM 0 HB2 ASP A 87 -4.107 -0.534 7.178 1.00 0.38 H new ATOM 0 HB3 ASP A 87 -2.936 0.200 8.254 1.00 0.38 H new ATOM 593 N ASP A 88 -3.885 2.602 9.333 1.00 0.19 N ATOM 594 CA ASP A 88 -3.536 4.008 9.149 1.00 0.14 C ATOM 595 C ASP A 88 -2.404 4.148 8.149 1.00 0.12 C ATOM 596 O ASP A 88 -1.562 3.252 8.045 1.00 0.15 O ATOM 597 CB ASP A 88 -3.109 4.648 10.475 1.00 0.18 C ATOM 598 CG ASP A 88 -4.183 4.571 11.538 1.00 0.24 C ATOM 599 OD1 ASP A 88 -5.052 5.467 11.581 1.00 0.41 O ATOM 600 OD2 ASP A 88 -4.168 3.610 12.330 1.00 0.39 O ATOM 0 H ASP A 88 -3.426 2.158 10.129 1.00 0.19 H new ATOM 0 HA ASP A 88 -4.423 4.519 8.775 1.00 0.14 H new ATOM 0 HB2 ASP A 88 -2.209 4.153 10.839 1.00 0.18 H new ATOM 0 HB3 ASP A 88 -2.850 5.693 10.302 1.00 0.18 H new ATOM 605 N PRO A 89 -2.354 5.261 7.407 1.00 0.11 N ATOM 606 CA PRO A 89 -1.315 5.501 6.404 1.00 0.11 C ATOM 607 C PRO A 89 0.087 5.393 6.973 1.00 0.10 C ATOM 608 O PRO A 89 0.863 4.524 6.574 1.00 0.11 O ATOM 609 CB PRO A 89 -1.581 6.936 5.928 1.00 0.13 C ATOM 610 CG PRO A 89 -2.517 7.521 6.928 1.00 0.15 C ATOM 611 CD PRO A 89 -3.311 6.377 7.469 1.00 0.13 C ATOM 0 HA PRO A 89 -1.359 4.758 5.608 1.00 0.11 H new ATOM 0 HB2 PRO A 89 -0.656 7.509 5.875 1.00 0.13 H new ATOM 0 HB3 PRO A 89 -2.019 6.943 4.930 1.00 0.13 H new ATOM 0 HG2 PRO A 89 -1.971 8.027 7.724 1.00 0.15 H new ATOM 0 HG3 PRO A 89 -3.168 8.263 6.466 1.00 0.15 H new ATOM 0 HD2 PRO A 89 -3.649 6.565 8.488 1.00 0.13 H new ATOM 0 HD3 PRO A 89 -4.200 6.182 6.869 1.00 0.13 H new ATOM 619 N TRP A 90 0.392 6.256 7.934 1.00 0.12 N ATOM 620 CA TRP A 90 1.728 6.328 8.502 1.00 0.14 C ATOM 621 C TRP A 90 2.141 5.003 9.133 1.00 0.13 C ATOM 622 O TRP A 90 3.320 4.695 9.207 1.00 0.14 O ATOM 623 CB TRP A 90 1.820 7.468 9.520 1.00 0.19 C ATOM 624 CG TRP A 90 0.740 7.438 10.564 1.00 0.95 C ATOM 625 CD1 TRP A 90 0.725 6.701 11.713 1.00 1.84 C ATOM 626 CD2 TRP A 90 -0.480 8.188 10.553 1.00 1.69 C ATOM 627 NE1 TRP A 90 -0.435 6.941 12.410 1.00 2.31 N ATOM 628 CE2 TRP A 90 -1.188 7.852 11.721 1.00 2.19 C ATOM 629 CE3 TRP A 90 -1.039 9.112 9.668 1.00 2.57 C ATOM 630 CZ2 TRP A 90 -2.431 8.402 12.022 1.00 2.98 C ATOM 631 CZ3 TRP A 90 -2.271 9.660 9.970 1.00 3.51 C ATOM 632 CH2 TRP A 90 -2.954 9.305 11.139 1.00 3.56 C ATOM 0 H TRP A 90 -0.272 6.917 8.336 1.00 0.12 H new ATOM 0 HA TRP A 90 2.424 6.534 7.688 1.00 0.14 H new ATOM 0 HB2 TRP A 90 2.791 7.424 10.014 1.00 0.19 H new ATOM 0 HB3 TRP A 90 1.774 8.420 8.991 1.00 0.19 H new ATOM 0 HD1 TRP A 90 1.509 6.028 12.028 1.00 1.84 H new ATOM 0 HE1 TRP A 90 -0.693 6.510 13.298 1.00 2.31 H new ATOM 0 HE3 TRP A 90 -0.518 9.393 8.765 1.00 2.57 H new ATOM 0 HZ2 TRP A 90 -2.963 8.125 12.920 1.00 2.98 H new ATOM 0 HZ3 TRP A 90 -2.715 10.375 9.292 1.00 3.51 H new ATOM 0 HH2 TRP A 90 -3.914 9.754 11.348 1.00 3.56 H new ATOM 643 N LEU A 91 1.166 4.214 9.569 1.00 0.13 N ATOM 644 CA LEU A 91 1.453 2.903 10.136 1.00 0.15 C ATOM 645 C LEU A 91 1.734 1.891 9.034 1.00 0.15 C ATOM 646 O LEU A 91 2.786 1.258 9.018 1.00 0.18 O ATOM 647 CB LEU A 91 0.289 2.415 10.997 1.00 0.17 C ATOM 648 CG LEU A 91 0.001 3.250 12.243 1.00 0.21 C ATOM 649 CD1 LEU A 91 -1.122 2.639 13.051 1.00 0.24 C ATOM 650 CD2 LEU A 91 1.259 3.386 13.083 1.00 0.33 C ATOM 0 H LEU A 91 0.176 4.458 9.541 1.00 0.13 H new ATOM 0 HA LEU A 91 2.338 2.999 10.764 1.00 0.15 H new ATOM 0 HB2 LEU A 91 -0.610 2.389 10.382 1.00 0.17 H new ATOM 0 HB3 LEU A 91 0.493 1.390 11.306 1.00 0.17 H new ATOM 0 HG LEU A 91 -0.316 4.245 11.929 1.00 0.21 H new ATOM 0 HD11 LEU A 91 -1.310 3.250 13.934 1.00 0.24 H new ATOM 0 HD12 LEU A 91 -2.025 2.593 12.442 1.00 0.24 H new ATOM 0 HD13 LEU A 91 -0.842 1.632 13.360 1.00 0.24 H new ATOM 0 HD21 LEU A 91 1.042 3.983 13.969 1.00 0.33 H new ATOM 0 HD22 LEU A 91 1.602 2.397 13.387 1.00 0.33 H new ATOM 0 HD23 LEU A 91 2.037 3.876 12.497 1.00 0.33 H new ATOM 662 N THR A 92 0.792 1.759 8.111 1.00 0.14 N ATOM 663 CA THR A 92 0.915 0.825 6.997 1.00 0.16 C ATOM 664 C THR A 92 2.204 1.057 6.220 1.00 0.14 C ATOM 665 O THR A 92 2.935 0.118 5.894 1.00 0.15 O ATOM 666 CB THR A 92 -0.284 0.979 6.045 1.00 0.17 C ATOM 667 OG1 THR A 92 -1.501 0.749 6.754 1.00 0.25 O ATOM 668 CG2 THR A 92 -0.180 0.027 4.870 1.00 0.20 C ATOM 0 H THR A 92 -0.077 2.293 8.111 1.00 0.14 H new ATOM 0 HA THR A 92 0.934 -0.184 7.410 1.00 0.16 H new ATOM 0 HB THR A 92 -0.278 1.997 5.655 1.00 0.17 H new ATOM 0 HG1 THR A 92 -1.743 1.554 7.258 1.00 0.25 H new ATOM 0 HG21 THR A 92 -1.042 0.160 4.216 1.00 0.20 H new ATOM 0 HG22 THR A 92 0.734 0.235 4.313 1.00 0.20 H new ATOM 0 HG23 THR A 92 -0.157 -1.000 5.235 1.00 0.20 H new ATOM 676 N ALA A 93 2.487 2.318 5.955 1.00 0.12 N ATOM 677 CA ALA A 93 3.654 2.701 5.196 1.00 0.12 C ATOM 678 C ALA A 93 4.919 2.425 5.990 1.00 0.11 C ATOM 679 O ALA A 93 5.923 1.974 5.442 1.00 0.11 O ATOM 680 CB ALA A 93 3.554 4.165 4.843 1.00 0.12 C ATOM 0 H ALA A 93 1.912 3.103 6.261 1.00 0.12 H new ATOM 0 HA ALA A 93 3.701 2.113 4.280 1.00 0.12 H new ATOM 0 HB1 ALA A 93 4.432 4.462 4.270 1.00 0.12 H new ATOM 0 HB2 ALA A 93 2.657 4.335 4.247 1.00 0.12 H new ATOM 0 HB3 ALA A 93 3.500 4.757 5.757 1.00 0.12 H new ATOM 686 N TYR A 94 4.851 2.686 7.287 1.00 0.11 N ATOM 687 CA TYR A 94 5.969 2.452 8.183 1.00 0.12 C ATOM 688 C TYR A 94 6.268 0.954 8.247 1.00 0.15 C ATOM 689 O TYR A 94 7.427 0.542 8.253 1.00 0.15 O ATOM 690 CB TYR A 94 5.619 2.992 9.568 1.00 0.15 C ATOM 691 CG TYR A 94 6.806 3.291 10.447 1.00 0.19 C ATOM 692 CD1 TYR A 94 7.494 2.274 11.079 1.00 0.23 C ATOM 693 CD2 TYR A 94 7.228 4.598 10.653 1.00 0.20 C ATOM 694 CE1 TYR A 94 8.574 2.543 11.899 1.00 0.28 C ATOM 695 CE2 TYR A 94 8.307 4.879 11.467 1.00 0.26 C ATOM 696 CZ TYR A 94 8.976 3.849 12.088 1.00 0.30 C ATOM 697 OH TYR A 94 10.052 4.125 12.899 1.00 0.36 O ATOM 0 H TYR A 94 4.022 3.064 7.745 1.00 0.11 H new ATOM 0 HA TYR A 94 6.858 2.966 7.816 1.00 0.12 H new ATOM 0 HB2 TYR A 94 5.033 3.903 9.450 1.00 0.15 H new ATOM 0 HB3 TYR A 94 4.982 2.267 10.075 1.00 0.15 H new ATOM 0 HD1 TYR A 94 7.183 1.251 10.930 1.00 0.23 H new ATOM 0 HD2 TYR A 94 6.703 5.408 10.168 1.00 0.20 H new ATOM 0 HE1 TYR A 94 9.099 1.736 12.388 1.00 0.28 H new ATOM 0 HE2 TYR A 94 8.624 5.901 11.616 1.00 0.26 H new ATOM 0 HH TYR A 94 10.203 5.093 12.924 1.00 0.36 H new ATOM 707 N ASN A 95 5.204 0.148 8.271 1.00 0.17 N ATOM 708 CA ASN A 95 5.327 -1.314 8.245 1.00 0.21 C ATOM 709 C ASN A 95 6.138 -1.765 7.043 1.00 0.20 C ATOM 710 O ASN A 95 7.117 -2.492 7.183 1.00 0.22 O ATOM 711 CB ASN A 95 3.952 -1.989 8.180 1.00 0.27 C ATOM 712 CG ASN A 95 3.299 -2.183 9.538 1.00 1.06 C ATOM 713 OD1 ASN A 95 3.492 -3.210 10.188 1.00 1.64 O ATOM 714 ND2 ASN A 95 2.513 -1.215 9.969 1.00 1.91 N ATOM 0 H ASN A 95 4.242 0.484 8.309 1.00 0.17 H new ATOM 0 HA ASN A 95 5.831 -1.606 9.166 1.00 0.21 H new ATOM 0 HB2 ASN A 95 3.293 -1.389 7.553 1.00 0.27 H new ATOM 0 HB3 ASN A 95 4.057 -2.960 7.696 1.00 0.27 H new ATOM 0 HD21 ASN A 95 2.041 -1.304 10.869 1.00 1.91 H new ATOM 0 HD22 ASN A 95 2.377 -0.378 9.402 1.00 1.91 H new ATOM 721 N PHE A 96 5.734 -1.320 5.862 1.00 0.18 N ATOM 722 CA PHE A 96 6.422 -1.693 4.637 1.00 0.18 C ATOM 723 C PHE A 96 7.823 -1.098 4.598 1.00 0.15 C ATOM 724 O PHE A 96 8.769 -1.737 4.131 1.00 0.17 O ATOM 725 CB PHE A 96 5.618 -1.271 3.405 1.00 0.18 C ATOM 726 CG PHE A 96 6.387 -1.399 2.121 1.00 0.20 C ATOM 727 CD1 PHE A 96 6.853 -2.634 1.701 1.00 0.24 C ATOM 728 CD2 PHE A 96 6.660 -0.284 1.345 1.00 0.20 C ATOM 729 CE1 PHE A 96 7.572 -2.756 0.530 1.00 0.29 C ATOM 730 CE2 PHE A 96 7.379 -0.402 0.171 1.00 0.25 C ATOM 731 CZ PHE A 96 7.835 -1.639 -0.234 1.00 0.29 C ATOM 0 H PHE A 96 4.934 -0.701 5.727 1.00 0.18 H new ATOM 0 HA PHE A 96 6.514 -2.779 4.623 1.00 0.18 H new ATOM 0 HB2 PHE A 96 4.716 -1.880 3.342 1.00 0.18 H new ATOM 0 HB3 PHE A 96 5.297 -0.237 3.526 1.00 0.18 H new ATOM 0 HD1 PHE A 96 6.651 -3.512 2.297 1.00 0.24 H new ATOM 0 HD2 PHE A 96 6.307 0.687 1.661 1.00 0.20 H new ATOM 0 HE1 PHE A 96 7.928 -3.725 0.212 1.00 0.29 H new ATOM 0 HE2 PHE A 96 7.584 0.473 -0.428 1.00 0.25 H new ATOM 0 HZ PHE A 96 8.399 -1.733 -1.150 1.00 0.29 H new ATOM 741 N LEU A 97 7.958 0.117 5.106 1.00 0.12 N ATOM 742 CA LEU A 97 9.247 0.783 5.141 1.00 0.12 C ATOM 743 C LEU A 97 10.233 -0.004 5.993 1.00 0.14 C ATOM 744 O LEU A 97 11.412 -0.071 5.680 1.00 0.20 O ATOM 745 CB LEU A 97 9.097 2.205 5.672 1.00 0.10 C ATOM 746 CG LEU A 97 9.710 3.283 4.791 1.00 0.10 C ATOM 747 CD1 LEU A 97 9.003 3.305 3.448 1.00 0.13 C ATOM 748 CD2 LEU A 97 9.611 4.639 5.460 1.00 0.10 C ATOM 0 H LEU A 97 7.190 0.661 5.499 1.00 0.12 H new ATOM 0 HA LEU A 97 9.637 0.833 4.124 1.00 0.12 H new ATOM 0 HB2 LEU A 97 8.036 2.420 5.800 1.00 0.10 H new ATOM 0 HB3 LEU A 97 9.555 2.259 6.660 1.00 0.10 H new ATOM 0 HG LEU A 97 10.765 3.056 4.638 1.00 0.10 H new ATOM 0 HD11 LEU A 97 9.443 4.078 2.818 1.00 0.13 H new ATOM 0 HD12 LEU A 97 9.113 2.335 2.963 1.00 0.13 H new ATOM 0 HD13 LEU A 97 7.945 3.518 3.597 1.00 0.13 H new ATOM 0 HD21 LEU A 97 10.055 5.397 4.814 1.00 0.10 H new ATOM 0 HD22 LEU A 97 8.563 4.882 5.637 1.00 0.10 H new ATOM 0 HD23 LEU A 97 10.144 4.615 6.411 1.00 0.10 H new ATOM 760 N GLN A 98 9.748 -0.607 7.068 1.00 0.19 N ATOM 761 CA GLN A 98 10.589 -1.474 7.884 1.00 0.26 C ATOM 762 C GLN A 98 10.721 -2.849 7.235 1.00 0.27 C ATOM 763 O GLN A 98 11.778 -3.472 7.284 1.00 0.33 O ATOM 764 CB GLN A 98 10.021 -1.612 9.299 1.00 0.34 C ATOM 765 CG GLN A 98 9.930 -0.294 10.050 1.00 1.08 C ATOM 766 CD GLN A 98 11.240 0.471 10.058 1.00 1.95 C ATOM 767 OE1 GLN A 98 12.075 0.293 10.943 1.00 2.43 O ATOM 768 NE2 GLN A 98 11.418 1.342 9.078 1.00 2.80 N ATOM 0 H GLN A 98 8.786 -0.514 7.395 1.00 0.19 H new ATOM 0 HA GLN A 98 11.577 -1.019 7.954 1.00 0.26 H new ATOM 0 HB2 GLN A 98 9.027 -2.057 9.241 1.00 0.34 H new ATOM 0 HB3 GLN A 98 10.646 -2.301 9.867 1.00 0.34 H new ATOM 0 HG2 GLN A 98 9.156 0.325 9.596 1.00 1.08 H new ATOM 0 HG3 GLN A 98 9.621 -0.487 11.077 1.00 1.08 H new ATOM 0 HE21 GLN A 98 10.700 1.459 8.363 1.00 2.80 H new ATOM 0 HE22 GLN A 98 12.273 1.896 9.037 1.00 2.80 H new ATOM 777 N LYS A 99 9.640 -3.301 6.611 1.00 0.27 N ATOM 778 CA LYS A 99 9.595 -4.610 5.964 1.00 0.31 C ATOM 779 C LYS A 99 10.653 -4.725 4.870 1.00 0.30 C ATOM 780 O LYS A 99 11.347 -5.736 4.773 1.00 0.35 O ATOM 781 CB LYS A 99 8.193 -4.837 5.375 1.00 0.34 C ATOM 782 CG LYS A 99 7.979 -6.211 4.737 1.00 0.42 C ATOM 783 CD LYS A 99 8.090 -6.149 3.218 1.00 0.47 C ATOM 784 CE LYS A 99 9.317 -6.890 2.699 1.00 0.79 C ATOM 785 NZ LYS A 99 9.192 -8.364 2.836 1.00 1.30 N ATOM 0 H LYS A 99 8.770 -2.773 6.538 1.00 0.27 H new ATOM 0 HA LYS A 99 9.808 -5.375 6.711 1.00 0.31 H new ATOM 0 HB2 LYS A 99 7.456 -4.701 6.166 1.00 0.34 H new ATOM 0 HB3 LYS A 99 8.001 -4.070 4.625 1.00 0.34 H new ATOM 0 HG2 LYS A 99 8.716 -6.913 5.128 1.00 0.42 H new ATOM 0 HG3 LYS A 99 6.997 -6.593 5.015 1.00 0.42 H new ATOM 0 HD2 LYS A 99 7.193 -6.579 2.772 1.00 0.47 H new ATOM 0 HD3 LYS A 99 8.136 -5.107 2.901 1.00 0.47 H new ATOM 0 HE2 LYS A 99 9.473 -6.638 1.650 1.00 0.79 H new ATOM 0 HE3 LYS A 99 10.199 -6.551 3.243 1.00 0.79 H new ATOM 0 HZ1 LYS A 99 9.986 -8.826 2.349 1.00 1.30 H new ATOM 0 HZ2 LYS A 99 9.206 -8.621 3.844 1.00 1.30 H new ATOM 0 HZ3 LYS A 99 8.296 -8.677 2.411 1.00 1.30 H new ATOM 799 N ASN A 100 10.788 -3.683 4.063 1.00 0.26 N ATOM 800 CA ASN A 100 11.733 -3.707 2.952 1.00 0.29 C ATOM 801 C ASN A 100 13.015 -2.972 3.321 1.00 0.28 C ATOM 802 O ASN A 100 13.983 -2.963 2.562 1.00 0.36 O ATOM 803 CB ASN A 100 11.116 -3.063 1.710 1.00 0.33 C ATOM 804 CG ASN A 100 11.701 -3.600 0.413 1.00 0.52 C ATOM 805 OD1 ASN A 100 12.713 -3.108 -0.082 1.00 1.13 O ATOM 806 ND2 ASN A 100 11.051 -4.603 -0.157 1.00 1.10 N ATOM 0 H ASN A 100 10.260 -2.815 4.154 1.00 0.26 H new ATOM 0 HA ASN A 100 11.970 -4.749 2.735 1.00 0.29 H new ATOM 0 HB2 ASN A 100 10.039 -3.233 1.715 1.00 0.33 H new ATOM 0 HB3 ASN A 100 11.268 -1.985 1.752 1.00 0.33 H new ATOM 0 HD21 ASN A 100 11.387 -4.994 -1.037 1.00 1.10 H new ATOM 0 HD22 ASN A 100 10.214 -4.985 0.284 1.00 1.10 H new ATOM 813 N ASP A 101 12.996 -2.370 4.509 1.00 0.25 N ATOM 814 CA ASP A 101 14.099 -1.543 5.007 1.00 0.27 C ATOM 815 C ASP A 101 14.330 -0.343 4.090 1.00 0.24 C ATOM 816 O ASP A 101 15.382 -0.204 3.467 1.00 0.28 O ATOM 817 CB ASP A 101 15.384 -2.364 5.157 1.00 0.38 C ATOM 818 CG ASP A 101 16.469 -1.610 5.903 1.00 1.09 C ATOM 819 OD1 ASP A 101 16.366 -1.491 7.139 1.00 1.17 O ATOM 820 OD2 ASP A 101 17.432 -1.138 5.262 1.00 2.01 O ATOM 0 H ASP A 101 12.212 -2.441 5.158 1.00 0.25 H new ATOM 0 HA ASP A 101 13.821 -1.174 5.994 1.00 0.27 H new ATOM 0 HB2 ASP A 101 15.160 -3.291 5.686 1.00 0.38 H new ATOM 0 HB3 ASP A 101 15.752 -2.642 4.169 1.00 0.38 H new ATOM 825 N LEU A 102 13.330 0.520 4.002 1.00 0.20 N ATOM 826 CA LEU A 102 13.408 1.703 3.164 1.00 0.20 C ATOM 827 C LEU A 102 13.769 2.926 3.985 1.00 0.19 C ATOM 828 O LEU A 102 13.860 2.875 5.214 1.00 0.22 O ATOM 829 CB LEU A 102 12.073 1.980 2.462 1.00 0.19 C ATOM 830 CG LEU A 102 11.625 0.979 1.393 1.00 0.24 C ATOM 831 CD1 LEU A 102 12.748 0.047 0.977 1.00 0.26 C ATOM 832 CD2 LEU A 102 10.416 0.211 1.881 1.00 0.23 C ATOM 0 H LEU A 102 12.449 0.420 4.506 1.00 0.20 H new ATOM 0 HA LEU A 102 14.181 1.509 2.420 1.00 0.20 H new ATOM 0 HB2 LEU A 102 11.295 2.032 3.224 1.00 0.19 H new ATOM 0 HB3 LEU A 102 12.132 2.965 1.999 1.00 0.19 H new ATOM 0 HG LEU A 102 11.346 1.539 0.500 1.00 0.24 H new ATOM 0 HD11 LEU A 102 12.384 -0.645 0.218 1.00 0.26 H new ATOM 0 HD12 LEU A 102 13.574 0.631 0.570 1.00 0.26 H new ATOM 0 HD13 LEU A 102 13.094 -0.515 1.844 1.00 0.26 H new ATOM 0 HD21 LEU A 102 10.103 -0.499 1.116 1.00 0.23 H new ATOM 0 HD22 LEU A 102 10.671 -0.328 2.793 1.00 0.23 H new ATOM 0 HD23 LEU A 102 9.602 0.906 2.086 1.00 0.23 H new ATOM 844 N ASN A 103 13.966 4.020 3.277 1.00 0.20 N ATOM 845 CA ASN A 103 14.247 5.312 3.872 1.00 0.21 C ATOM 846 C ASN A 103 12.961 5.909 4.429 1.00 0.18 C ATOM 847 O ASN A 103 11.929 5.921 3.759 1.00 0.16 O ATOM 848 CB ASN A 103 14.826 6.224 2.790 1.00 0.26 C ATOM 849 CG ASN A 103 15.433 7.523 3.293 1.00 0.35 C ATOM 850 OD1 ASN A 103 14.961 8.127 4.250 1.00 0.87 O ATOM 851 ND2 ASN A 103 16.483 7.970 2.623 1.00 0.88 N ATOM 0 H ASN A 103 13.935 4.037 2.258 1.00 0.20 H new ATOM 0 HA ASN A 103 14.962 5.206 4.688 1.00 0.21 H new ATOM 0 HB2 ASN A 103 15.591 5.672 2.244 1.00 0.26 H new ATOM 0 HB3 ASN A 103 14.036 6.463 2.078 1.00 0.26 H new ATOM 0 HD21 ASN A 103 16.928 8.846 2.898 1.00 0.88 H new ATOM 0 HD22 ASN A 103 16.847 7.439 1.832 1.00 0.88 H new ATOM 858 N PRO A 104 13.020 6.416 5.667 1.00 0.21 N ATOM 859 CA PRO A 104 11.881 7.043 6.358 1.00 0.21 C ATOM 860 C PRO A 104 11.294 8.207 5.560 1.00 0.22 C ATOM 861 O PRO A 104 10.177 8.654 5.815 1.00 0.23 O ATOM 862 CB PRO A 104 12.495 7.538 7.674 1.00 0.28 C ATOM 863 CG PRO A 104 13.700 6.684 7.873 1.00 0.32 C ATOM 864 CD PRO A 104 14.229 6.411 6.496 1.00 0.28 C ATOM 0 HA PRO A 104 11.051 6.351 6.498 1.00 0.21 H new ATOM 0 HB2 PRO A 104 12.763 8.593 7.614 1.00 0.28 H new ATOM 0 HB3 PRO A 104 11.794 7.433 8.502 1.00 0.28 H new ATOM 0 HG2 PRO A 104 14.444 7.192 8.486 1.00 0.32 H new ATOM 0 HG3 PRO A 104 13.444 5.757 8.386 1.00 0.32 H new ATOM 0 HD2 PRO A 104 14.939 7.175 6.178 1.00 0.28 H new ATOM 0 HD3 PRO A 104 14.748 5.454 6.446 1.00 0.28 H new ATOM 872 N MET A 105 12.063 8.680 4.586 1.00 0.24 N ATOM 873 CA MET A 105 11.632 9.743 3.684 1.00 0.29 C ATOM 874 C MET A 105 10.479 9.277 2.795 1.00 0.26 C ATOM 875 O MET A 105 9.707 10.086 2.285 1.00 0.34 O ATOM 876 CB MET A 105 12.805 10.174 2.807 1.00 0.35 C ATOM 877 CG MET A 105 12.492 11.333 1.876 1.00 0.44 C ATOM 878 SD MET A 105 13.858 11.713 0.759 1.00 0.92 S ATOM 879 CE MET A 105 14.002 10.169 -0.143 1.00 2.08 C ATOM 0 H MET A 105 13.005 8.337 4.399 1.00 0.24 H new ATOM 0 HA MET A 105 11.286 10.583 4.286 1.00 0.29 H new ATOM 0 HB2 MET A 105 13.641 10.453 3.449 1.00 0.35 H new ATOM 0 HB3 MET A 105 13.131 9.322 2.211 1.00 0.35 H new ATOM 0 HG2 MET A 105 11.604 11.095 1.290 1.00 0.44 H new ATOM 0 HG3 MET A 105 12.255 12.217 2.469 1.00 0.44 H new ATOM 0 HE1 MET A 105 14.500 10.349 -1.095 1.00 2.08 H new ATOM 0 HE2 MET A 105 14.585 9.458 0.443 1.00 2.08 H new ATOM 0 HE3 MET A 105 13.008 9.760 -0.325 1.00 2.08 H new ATOM 889 N PHE A 106 10.358 7.967 2.622 1.00 0.20 N ATOM 890 CA PHE A 106 9.348 7.410 1.734 1.00 0.19 C ATOM 891 C PHE A 106 8.000 7.342 2.428 1.00 0.16 C ATOM 892 O PHE A 106 6.960 7.300 1.774 1.00 0.17 O ATOM 893 CB PHE A 106 9.753 6.010 1.272 1.00 0.19 C ATOM 894 CG PHE A 106 10.888 5.988 0.288 1.00 0.24 C ATOM 895 CD1 PHE A 106 10.733 6.522 -0.981 1.00 0.31 C ATOM 896 CD2 PHE A 106 12.109 5.427 0.629 1.00 0.24 C ATOM 897 CE1 PHE A 106 11.773 6.499 -1.890 1.00 0.37 C ATOM 898 CE2 PHE A 106 13.153 5.401 -0.277 1.00 0.31 C ATOM 899 CZ PHE A 106 12.984 5.938 -1.539 1.00 0.36 C ATOM 0 H PHE A 106 10.945 7.273 3.084 1.00 0.20 H new ATOM 0 HA PHE A 106 9.268 8.065 0.867 1.00 0.19 H new ATOM 0 HB2 PHE A 106 10.032 5.419 2.144 1.00 0.19 H new ATOM 0 HB3 PHE A 106 8.887 5.524 0.821 1.00 0.19 H new ATOM 0 HD1 PHE A 106 9.788 6.962 -1.263 1.00 0.31 H new ATOM 0 HD2 PHE A 106 12.246 5.005 1.614 1.00 0.24 H new ATOM 0 HE1 PHE A 106 11.638 6.920 -2.875 1.00 0.37 H new ATOM 0 HE2 PHE A 106 14.099 4.962 0.001 1.00 0.31 H new ATOM 0 HZ PHE A 106 13.798 5.919 -2.249 1.00 0.36 H new ATOM 909 N LEU A 107 8.041 7.362 3.757 1.00 0.14 N ATOM 910 CA LEU A 107 6.871 7.129 4.597 1.00 0.12 C ATOM 911 C LEU A 107 5.695 8.030 4.224 1.00 0.13 C ATOM 912 O LEU A 107 4.568 7.555 4.116 1.00 0.14 O ATOM 913 CB LEU A 107 7.275 7.304 6.068 1.00 0.13 C ATOM 914 CG LEU A 107 6.159 7.233 7.105 1.00 0.13 C ATOM 915 CD1 LEU A 107 5.374 5.954 6.948 1.00 0.12 C ATOM 916 CD2 LEU A 107 6.748 7.297 8.499 1.00 0.15 C ATOM 0 H LEU A 107 8.895 7.542 4.286 1.00 0.14 H new ATOM 0 HA LEU A 107 6.522 6.109 4.434 1.00 0.12 H new ATOM 0 HB2 LEU A 107 8.012 6.538 6.310 1.00 0.13 H new ATOM 0 HB3 LEU A 107 7.772 8.269 6.170 1.00 0.13 H new ATOM 0 HG LEU A 107 5.489 8.079 6.953 1.00 0.13 H new ATOM 0 HD11 LEU A 107 4.582 5.919 7.696 1.00 0.12 H new ATOM 0 HD12 LEU A 107 4.934 5.917 5.951 1.00 0.12 H new ATOM 0 HD13 LEU A 107 6.038 5.100 7.083 1.00 0.12 H new ATOM 0 HD21 LEU A 107 5.946 7.246 9.236 1.00 0.15 H new ATOM 0 HD22 LEU A 107 7.429 6.458 8.645 1.00 0.15 H new ATOM 0 HD23 LEU A 107 7.293 8.233 8.621 1.00 0.15 H new ATOM 928 N ASP A 108 5.950 9.314 4.003 1.00 0.17 N ATOM 929 CA ASP A 108 4.876 10.239 3.640 1.00 0.19 C ATOM 930 C ASP A 108 4.253 9.855 2.302 1.00 0.17 C ATOM 931 O ASP A 108 3.034 9.780 2.177 1.00 0.18 O ATOM 932 CB ASP A 108 5.386 11.683 3.579 1.00 0.28 C ATOM 933 CG ASP A 108 4.313 12.657 3.127 1.00 0.94 C ATOM 934 OD1 ASP A 108 3.489 13.078 3.967 1.00 0.96 O ATOM 935 OD2 ASP A 108 4.289 13.008 1.927 1.00 1.63 O ATOM 0 H ASP A 108 6.876 9.737 4.067 1.00 0.17 H new ATOM 0 HA ASP A 108 4.113 10.172 4.415 1.00 0.19 H new ATOM 0 HB2 ASP A 108 5.750 11.979 4.563 1.00 0.28 H new ATOM 0 HB3 ASP A 108 6.234 11.738 2.896 1.00 0.28 H new ATOM 940 N GLN A 109 5.102 9.575 1.321 1.00 0.20 N ATOM 941 CA GLN A 109 4.662 9.251 -0.026 1.00 0.20 C ATOM 942 C GLN A 109 3.733 8.038 -0.031 1.00 0.17 C ATOM 943 O GLN A 109 2.613 8.098 -0.547 1.00 0.19 O ATOM 944 CB GLN A 109 5.893 9.001 -0.897 1.00 0.26 C ATOM 945 CG GLN A 109 5.604 8.278 -2.196 1.00 0.43 C ATOM 946 CD GLN A 109 6.852 8.076 -3.035 1.00 0.47 C ATOM 947 OE1 GLN A 109 7.787 8.876 -2.981 1.00 0.86 O ATOM 948 NE2 GLN A 109 6.878 7.005 -3.815 1.00 0.53 N ATOM 0 H GLN A 109 6.115 9.567 1.439 1.00 0.20 H new ATOM 0 HA GLN A 109 4.092 10.088 -0.429 1.00 0.20 H new ATOM 0 HB2 GLN A 109 6.362 9.958 -1.125 1.00 0.26 H new ATOM 0 HB3 GLN A 109 6.616 8.420 -0.325 1.00 0.26 H new ATOM 0 HG2 GLN A 109 5.156 7.309 -1.977 1.00 0.43 H new ATOM 0 HG3 GLN A 109 4.872 8.846 -2.770 1.00 0.43 H new ATOM 0 HE21 GLN A 109 6.083 6.366 -3.831 1.00 0.53 H new ATOM 0 HE22 GLN A 109 7.693 6.819 -4.399 1.00 0.53 H new ATOM 957 N VAL A 110 4.198 6.947 0.558 1.00 0.14 N ATOM 958 CA VAL A 110 3.423 5.719 0.605 1.00 0.14 C ATOM 959 C VAL A 110 2.157 5.894 1.439 1.00 0.13 C ATOM 960 O VAL A 110 1.081 5.442 1.047 1.00 0.15 O ATOM 961 CB VAL A 110 4.260 4.544 1.164 1.00 0.13 C ATOM 962 CG1 VAL A 110 5.070 3.895 0.075 1.00 0.16 C ATOM 963 CG2 VAL A 110 5.199 5.012 2.254 1.00 0.14 C ATOM 0 H VAL A 110 5.110 6.888 1.011 1.00 0.14 H new ATOM 0 HA VAL A 110 3.136 5.484 -0.420 1.00 0.14 H new ATOM 0 HB VAL A 110 3.558 3.820 1.578 1.00 0.13 H new ATOM 0 HG11 VAL A 110 5.649 3.072 0.494 1.00 0.16 H new ATOM 0 HG12 VAL A 110 4.402 3.513 -0.697 1.00 0.16 H new ATOM 0 HG13 VAL A 110 5.746 4.629 -0.362 1.00 0.16 H new ATOM 0 HG21 VAL A 110 5.774 4.165 2.628 1.00 0.14 H new ATOM 0 HG22 VAL A 110 5.879 5.762 1.851 1.00 0.14 H new ATOM 0 HG23 VAL A 110 4.621 5.447 3.070 1.00 0.14 H new ATOM 973 N ALA A 111 2.290 6.563 2.578 1.00 0.11 N ATOM 974 CA ALA A 111 1.160 6.798 3.478 1.00 0.10 C ATOM 975 C ALA A 111 0.078 7.630 2.806 1.00 0.10 C ATOM 976 O ALA A 111 -1.112 7.362 2.967 1.00 0.10 O ATOM 977 CB ALA A 111 1.630 7.477 4.754 1.00 0.10 C ATOM 0 H ALA A 111 3.173 6.956 2.904 1.00 0.11 H new ATOM 0 HA ALA A 111 0.730 5.829 3.731 1.00 0.10 H new ATOM 0 HB1 ALA A 111 0.778 7.645 5.412 1.00 0.10 H new ATOM 0 HB2 ALA A 111 2.358 6.841 5.258 1.00 0.10 H new ATOM 0 HB3 ALA A 111 2.092 8.433 4.508 1.00 0.10 H new ATOM 983 N LYS A 112 0.489 8.634 2.051 1.00 0.13 N ATOM 984 CA LYS A 112 -0.454 9.497 1.366 1.00 0.16 C ATOM 985 C LYS A 112 -1.230 8.732 0.309 1.00 0.17 C ATOM 986 O LYS A 112 -2.432 8.938 0.153 1.00 0.20 O ATOM 987 CB LYS A 112 0.258 10.707 0.767 1.00 0.20 C ATOM 988 CG LYS A 112 0.681 11.699 1.831 1.00 0.32 C ATOM 989 CD LYS A 112 -0.526 12.296 2.530 1.00 0.56 C ATOM 990 CE LYS A 112 -0.144 12.978 3.830 1.00 0.97 C ATOM 991 NZ LYS A 112 0.879 14.037 3.623 1.00 1.37 N ATOM 0 H LYS A 112 1.469 8.871 1.898 1.00 0.13 H new ATOM 0 HA LYS A 112 -1.174 9.861 2.099 1.00 0.16 H new ATOM 0 HB2 LYS A 112 1.135 10.374 0.212 1.00 0.20 H new ATOM 0 HB3 LYS A 112 -0.402 11.200 0.053 1.00 0.20 H new ATOM 0 HG2 LYS A 112 1.320 11.203 2.562 1.00 0.32 H new ATOM 0 HG3 LYS A 112 1.273 12.494 1.377 1.00 0.32 H new ATOM 0 HD2 LYS A 112 -1.009 13.016 1.870 1.00 0.56 H new ATOM 0 HD3 LYS A 112 -1.254 11.511 2.732 1.00 0.56 H new ATOM 0 HE2 LYS A 112 -1.033 13.416 4.284 1.00 0.97 H new ATOM 0 HE3 LYS A 112 0.239 12.236 4.530 1.00 0.97 H new ATOM 0 HZ1 LYS A 112 0.685 14.836 4.260 1.00 1.37 H new ATOM 0 HZ2 LYS A 112 1.823 13.652 3.828 1.00 1.37 H new ATOM 0 HZ3 LYS A 112 0.845 14.364 2.636 1.00 1.37 H new ATOM 1005 N PHE A 113 -0.562 7.826 -0.400 1.00 0.19 N ATOM 1006 CA PHE A 113 -1.265 6.999 -1.365 1.00 0.21 C ATOM 1007 C PHE A 113 -2.228 6.064 -0.640 1.00 0.20 C ATOM 1008 O PHE A 113 -3.343 5.822 -1.107 1.00 0.23 O ATOM 1009 CB PHE A 113 -0.304 6.192 -2.240 1.00 0.25 C ATOM 1010 CG PHE A 113 -0.973 5.743 -3.510 1.00 0.32 C ATOM 1011 CD1 PHE A 113 -1.817 4.649 -3.508 1.00 0.35 C ATOM 1012 CD2 PHE A 113 -0.786 6.439 -4.694 1.00 0.37 C ATOM 1013 CE1 PHE A 113 -2.466 4.250 -4.659 1.00 0.43 C ATOM 1014 CE2 PHE A 113 -1.427 6.043 -5.853 1.00 0.45 C ATOM 1015 CZ PHE A 113 -2.270 4.949 -5.835 1.00 0.47 C ATOM 0 H PHE A 113 0.440 7.651 -0.326 1.00 0.19 H new ATOM 0 HA PHE A 113 -1.824 7.663 -2.025 1.00 0.21 H new ATOM 0 HB2 PHE A 113 0.569 6.798 -2.480 1.00 0.25 H new ATOM 0 HB3 PHE A 113 0.053 5.323 -1.687 1.00 0.25 H new ATOM 0 HD1 PHE A 113 -1.971 4.098 -2.592 1.00 0.35 H new ATOM 0 HD2 PHE A 113 -0.133 7.299 -4.711 1.00 0.37 H new ATOM 0 HE1 PHE A 113 -3.125 3.394 -4.641 1.00 0.43 H new ATOM 0 HE2 PHE A 113 -1.269 6.588 -6.772 1.00 0.45 H new ATOM 0 HZ PHE A 113 -2.775 4.640 -6.738 1.00 0.47 H new ATOM 1025 N ILE A 114 -1.791 5.547 0.505 1.00 0.18 N ATOM 1026 CA ILE A 114 -2.652 4.759 1.376 1.00 0.18 C ATOM 1027 C ILE A 114 -3.941 5.516 1.674 1.00 0.17 C ATOM 1028 O ILE A 114 -5.043 4.982 1.528 1.00 0.21 O ATOM 1029 CB ILE A 114 -1.935 4.442 2.694 1.00 0.16 C ATOM 1030 CG1 ILE A 114 -0.865 3.384 2.471 1.00 0.19 C ATOM 1031 CG2 ILE A 114 -2.922 3.987 3.753 1.00 0.18 C ATOM 1032 CD1 ILE A 114 0.237 3.440 3.493 1.00 0.17 C ATOM 0 H ILE A 114 -0.838 5.662 0.851 1.00 0.18 H new ATOM 0 HA ILE A 114 -2.891 3.827 0.864 1.00 0.18 H new ATOM 0 HB ILE A 114 -1.456 5.354 3.050 1.00 0.16 H new ATOM 0 HG12 ILE A 114 -1.327 2.397 2.496 1.00 0.19 H new ATOM 0 HG13 ILE A 114 -0.438 3.511 1.476 1.00 0.19 H new ATOM 0 HG21 ILE A 114 -2.388 3.768 4.678 1.00 0.18 H new ATOM 0 HG22 ILE A 114 -3.652 4.776 3.933 1.00 0.18 H new ATOM 0 HG23 ILE A 114 -3.436 3.089 3.410 1.00 0.18 H new ATOM 0 HD11 ILE A 114 0.970 2.661 3.281 1.00 0.17 H new ATOM 0 HD12 ILE A 114 0.722 4.415 3.452 1.00 0.17 H new ATOM 0 HD13 ILE A 114 -0.181 3.284 4.488 1.00 0.17 H new ATOM 1044 N ILE A 115 -3.782 6.768 2.090 1.00 0.14 N ATOM 1045 CA ILE A 115 -4.909 7.642 2.349 1.00 0.17 C ATOM 1046 C ILE A 115 -5.785 7.781 1.116 1.00 0.21 C ATOM 1047 O ILE A 115 -6.982 7.551 1.184 1.00 0.30 O ATOM 1048 CB ILE A 115 -4.441 9.033 2.818 1.00 0.19 C ATOM 1049 CG1 ILE A 115 -3.881 8.929 4.232 1.00 0.18 C ATOM 1050 CG2 ILE A 115 -5.591 10.035 2.759 1.00 0.30 C ATOM 1051 CD1 ILE A 115 -3.034 10.107 4.652 1.00 0.22 C ATOM 0 H ILE A 115 -2.872 7.199 2.255 1.00 0.14 H new ATOM 0 HA ILE A 115 -5.496 7.187 3.147 1.00 0.17 H new ATOM 0 HB ILE A 115 -3.656 9.391 2.152 1.00 0.19 H new ATOM 0 HG12 ILE A 115 -4.710 8.824 4.932 1.00 0.18 H new ATOM 0 HG13 ILE A 115 -3.283 8.021 4.308 1.00 0.18 H new ATOM 0 HG21 ILE A 115 -5.241 11.011 3.094 1.00 0.30 H new ATOM 0 HG22 ILE A 115 -5.954 10.112 1.734 1.00 0.30 H new ATOM 0 HG23 ILE A 115 -6.401 9.698 3.407 1.00 0.30 H new ATOM 0 HD11 ILE A 115 -2.676 9.953 5.670 1.00 0.22 H new ATOM 0 HD12 ILE A 115 -2.183 10.202 3.978 1.00 0.22 H new ATOM 0 HD13 ILE A 115 -3.632 11.018 4.612 1.00 0.22 H new ATOM 1063 N ASP A 116 -5.175 8.121 -0.014 1.00 0.21 N ATOM 1064 CA ASP A 116 -5.915 8.345 -1.254 1.00 0.31 C ATOM 1065 C ASP A 116 -6.725 7.120 -1.678 1.00 0.32 C ATOM 1066 O ASP A 116 -7.718 7.248 -2.395 1.00 0.44 O ATOM 1067 CB ASP A 116 -4.972 8.756 -2.388 1.00 0.43 C ATOM 1068 CG ASP A 116 -4.718 10.249 -2.420 1.00 0.90 C ATOM 1069 OD1 ASP A 116 -5.577 10.996 -2.928 1.00 1.21 O ATOM 1070 OD2 ASP A 116 -3.650 10.682 -1.939 1.00 1.43 O ATOM 0 H ASP A 116 -4.167 8.248 -0.099 1.00 0.21 H new ATOM 0 HA ASP A 116 -6.615 9.156 -1.054 1.00 0.31 H new ATOM 0 HB2 ASP A 116 -4.023 8.232 -2.275 1.00 0.43 H new ATOM 0 HB3 ASP A 116 -5.398 8.443 -3.341 1.00 0.43 H new ATOM 1075 N ASN A 117 -6.311 5.939 -1.230 1.00 0.29 N ATOM 1076 CA ASN A 117 -7.008 4.704 -1.580 1.00 0.37 C ATOM 1077 C ASN A 117 -8.367 4.622 -0.882 1.00 0.42 C ATOM 1078 O ASN A 117 -9.339 4.121 -1.450 1.00 0.59 O ATOM 1079 CB ASN A 117 -6.152 3.484 -1.225 1.00 0.38 C ATOM 1080 CG ASN A 117 -6.791 2.176 -1.663 1.00 0.49 C ATOM 1081 OD1 ASN A 117 -6.610 1.733 -2.797 1.00 0.61 O ATOM 1082 ND2 ASN A 117 -7.529 1.544 -0.760 1.00 0.49 N ATOM 0 H ASN A 117 -5.499 5.810 -0.626 1.00 0.29 H new ATOM 0 HA ASN A 117 -7.179 4.709 -2.656 1.00 0.37 H new ATOM 0 HB2 ASN A 117 -5.174 3.582 -1.695 1.00 0.38 H new ATOM 0 HB3 ASN A 117 -5.987 3.461 -0.148 1.00 0.38 H new ATOM 0 HD21 ASN A 117 -7.972 0.656 -0.995 1.00 0.49 H new ATOM 0 HD22 ASN A 117 -7.653 1.946 0.169 1.00 0.49 H new ATOM 1089 N THR A 118 -8.436 5.116 0.348 1.00 0.36 N ATOM 1090 CA THR A 118 -9.687 5.116 1.096 1.00 0.45 C ATOM 1091 C THR A 118 -10.364 6.489 1.057 1.00 0.48 C ATOM 1092 O THR A 118 -11.586 6.594 1.173 1.00 0.87 O ATOM 1093 CB THR A 118 -9.464 4.675 2.558 1.00 0.52 C ATOM 1094 OG1 THR A 118 -8.207 5.173 3.043 1.00 0.51 O ATOM 1095 CG2 THR A 118 -9.497 3.158 2.671 1.00 0.66 C ATOM 0 H THR A 118 -7.644 5.520 0.847 1.00 0.36 H new ATOM 0 HA THR A 118 -10.348 4.396 0.614 1.00 0.45 H new ATOM 0 HB THR A 118 -10.269 5.089 3.166 1.00 0.52 H new ATOM 0 HG1 THR A 118 -7.722 4.452 3.495 1.00 0.51 H new ATOM 0 HG21 THR A 118 -9.338 2.867 3.709 1.00 0.66 H new ATOM 0 HG22 THR A 118 -10.466 2.789 2.335 1.00 0.66 H new ATOM 0 HG23 THR A 118 -8.711 2.730 2.050 1.00 0.66 H new ATOM 1103 N LYS A 119 -9.557 7.528 0.883 1.00 0.36 N ATOM 1104 CA LYS A 119 -10.048 8.896 0.765 1.00 0.37 C ATOM 1105 C LYS A 119 -10.850 9.075 -0.525 1.00 0.55 C ATOM 1106 O LYS A 119 -12.079 9.149 -0.498 1.00 1.19 O ATOM 1107 CB LYS A 119 -8.871 9.879 0.816 1.00 0.39 C ATOM 1108 CG LYS A 119 -9.248 11.296 0.444 1.00 0.74 C ATOM 1109 CD LYS A 119 -8.135 12.270 0.785 1.00 0.84 C ATOM 1110 CE LYS A 119 -6.917 12.081 -0.106 1.00 0.97 C ATOM 1111 NZ LYS A 119 -7.174 12.535 -1.498 1.00 1.55 N ATOM 0 H LYS A 119 -8.542 7.446 0.820 1.00 0.36 H new ATOM 0 HA LYS A 119 -10.714 9.103 1.603 1.00 0.37 H new ATOM 0 HB2 LYS A 119 -8.450 9.876 1.821 1.00 0.39 H new ATOM 0 HB3 LYS A 119 -8.089 9.531 0.141 1.00 0.39 H new ATOM 0 HG2 LYS A 119 -9.466 11.349 -0.623 1.00 0.74 H new ATOM 0 HG3 LYS A 119 -10.159 11.582 0.970 1.00 0.74 H new ATOM 0 HD2 LYS A 119 -8.503 13.291 0.683 1.00 0.84 H new ATOM 0 HD3 LYS A 119 -7.845 12.138 1.827 1.00 0.84 H new ATOM 0 HE2 LYS A 119 -6.075 12.636 0.307 1.00 0.97 H new ATOM 0 HE3 LYS A 119 -6.632 11.029 -0.114 1.00 0.97 H new ATOM 0 HZ1 LYS A 119 -6.901 11.784 -2.164 1.00 1.55 H new ATOM 0 HZ2 LYS A 119 -8.185 12.749 -1.612 1.00 1.55 H new ATOM 0 HZ3 LYS A 119 -6.615 13.390 -1.693 1.00 1.55 H new ATOM 1125 N GLY A 120 -10.147 9.169 -1.645 1.00 1.13 N ATOM 1126 CA GLY A 120 -10.801 9.200 -2.938 1.00 1.33 C ATOM 1127 C GLY A 120 -9.806 9.165 -4.077 1.00 1.62 C ATOM 1128 O GLY A 120 -8.786 9.845 -4.022 1.00 2.09 O ATOM 0 H GLY A 120 -9.129 9.225 -1.681 1.00 1.13 H new ATOM 0 HA2 GLY A 120 -11.478 8.350 -3.022 1.00 1.33 H new ATOM 0 HA3 GLY A 120 -11.409 10.101 -3.015 1.00 1.33 H new ATOM 1132 N GLN A 121 -10.101 8.385 -5.114 1.00 2.16 N ATOM 1133 CA GLN A 121 -9.198 8.249 -6.259 1.00 2.71 C ATOM 1134 C GLN A 121 -9.359 9.421 -7.225 1.00 2.44 C ATOM 1135 O GLN A 121 -9.547 9.231 -8.425 1.00 3.00 O ATOM 1136 CB GLN A 121 -9.444 6.931 -7.003 1.00 3.65 C ATOM 1137 CG GLN A 121 -8.974 5.678 -6.270 1.00 4.49 C ATOM 1138 CD GLN A 121 -9.860 5.291 -5.097 1.00 5.40 C ATOM 1139 OE1 GLN A 121 -10.847 4.580 -5.263 1.00 5.92 O ATOM 1140 NE2 GLN A 121 -9.505 5.734 -3.902 1.00 5.94 N ATOM 0 H GLN A 121 -10.958 7.837 -5.187 1.00 2.16 H new ATOM 0 HA GLN A 121 -8.179 8.248 -5.871 1.00 2.71 H new ATOM 0 HB2 GLN A 121 -10.512 6.838 -7.202 1.00 3.65 H new ATOM 0 HB3 GLN A 121 -8.942 6.978 -7.969 1.00 3.65 H new ATOM 0 HG2 GLN A 121 -8.936 4.848 -6.975 1.00 4.49 H new ATOM 0 HG3 GLN A 121 -7.958 5.838 -5.910 1.00 4.49 H new ATOM 0 HE21 GLN A 121 -8.678 6.323 -3.801 1.00 5.94 H new ATOM 0 HE22 GLN A 121 -10.058 5.486 -3.081 1.00 5.94 H new ATOM 1149 N MET A 122 -9.276 10.629 -6.677 1.00 1.98 N ATOM 1150 CA MET A 122 -9.422 11.868 -7.433 1.00 2.42 C ATOM 1151 C MET A 122 -9.350 13.047 -6.468 1.00 2.93 C ATOM 1152 O MET A 122 -8.622 14.010 -6.692 1.00 3.59 O ATOM 1153 CB MET A 122 -10.746 11.893 -8.217 1.00 2.91 C ATOM 1154 CG MET A 122 -12.002 11.851 -7.351 1.00 3.78 C ATOM 1155 SD MET A 122 -13.528 11.955 -8.307 1.00 4.43 S ATOM 1156 CE MET A 122 -13.466 10.415 -9.220 1.00 5.09 C ATOM 0 H MET A 122 -9.103 10.777 -5.683 1.00 1.98 H new ATOM 0 HA MET A 122 -8.613 11.936 -8.161 1.00 2.42 H new ATOM 0 HB2 MET A 122 -10.773 12.795 -8.829 1.00 2.91 H new ATOM 0 HB3 MET A 122 -10.764 11.044 -8.900 1.00 2.91 H new ATOM 0 HG2 MET A 122 -12.006 10.927 -6.772 1.00 3.78 H new ATOM 0 HG3 MET A 122 -11.971 12.674 -6.637 1.00 3.78 H new ATOM 0 HE1 MET A 122 -14.451 10.196 -9.631 1.00 5.09 H new ATOM 0 HE2 MET A 122 -12.745 10.503 -10.033 1.00 5.09 H new ATOM 0 HE3 MET A 122 -13.164 9.608 -8.552 1.00 5.09 H new ATOM 1166 N LEU A 123 -10.109 12.924 -5.383 1.00 3.22 N ATOM 1167 CA LEU A 123 -10.141 13.890 -4.294 1.00 4.12 C ATOM 1168 C LEU A 123 -10.701 13.187 -3.069 1.00 4.02 C ATOM 1169 O LEU A 123 -9.992 12.934 -2.098 1.00 4.70 O ATOM 1170 CB LEU A 123 -11.027 15.100 -4.639 1.00 4.88 C ATOM 1171 CG LEU A 123 -10.432 16.110 -5.622 1.00 5.87 C ATOM 1172 CD1 LEU A 123 -11.470 17.155 -6.002 1.00 6.52 C ATOM 1173 CD2 LEU A 123 -9.205 16.779 -5.021 1.00 6.54 C ATOM 0 H LEU A 123 -10.733 12.131 -5.235 1.00 3.22 H new ATOM 0 HA LEU A 123 -9.132 14.262 -4.113 1.00 4.12 H new ATOM 0 HB2 LEU A 123 -11.966 14.731 -5.052 1.00 4.88 H new ATOM 0 HB3 LEU A 123 -11.269 15.623 -3.714 1.00 4.88 H new ATOM 0 HG LEU A 123 -10.129 15.576 -6.523 1.00 5.87 H new ATOM 0 HD11 LEU A 123 -11.031 17.866 -6.702 1.00 6.52 H new ATOM 0 HD12 LEU A 123 -12.324 16.666 -6.470 1.00 6.52 H new ATOM 0 HD13 LEU A 123 -11.799 17.683 -5.107 1.00 6.52 H new ATOM 0 HD21 LEU A 123 -8.795 17.494 -5.734 1.00 6.54 H new ATOM 0 HD22 LEU A 123 -9.486 17.300 -4.106 1.00 6.54 H new ATOM 0 HD23 LEU A 123 -8.454 16.023 -4.792 1.00 6.54 H new ATOM 1185 N GLY A 124 -11.978 12.849 -3.162 1.00 3.47 N ATOM 1186 CA GLY A 124 -12.650 12.083 -2.138 1.00 3.55 C ATOM 1187 C GLY A 124 -13.999 11.624 -2.640 1.00 3.60 C ATOM 1188 O GLY A 124 -14.617 12.324 -3.441 1.00 4.13 O ATOM 0 H GLY A 124 -12.573 13.101 -3.952 1.00 3.47 H new ATOM 0 HA2 GLY A 124 -12.044 11.221 -1.860 1.00 3.55 H new ATOM 0 HA3 GLY A 124 -12.773 12.689 -1.241 1.00 3.55 H new ATOM 1192 N LEU A 125 -14.455 10.454 -2.220 1.00 3.52 N ATOM 1193 CA LEU A 125 -15.753 9.964 -2.668 1.00 4.14 C ATOM 1194 C LEU A 125 -16.726 9.865 -1.506 1.00 4.84 C ATOM 1195 O LEU A 125 -16.324 9.846 -0.339 1.00 5.10 O ATOM 1196 CB LEU A 125 -15.657 8.606 -3.381 1.00 4.72 C ATOM 1197 CG LEU A 125 -15.292 7.404 -2.511 1.00 4.91 C ATOM 1198 CD1 LEU A 125 -15.758 6.113 -3.169 1.00 5.60 C ATOM 1199 CD2 LEU A 125 -13.801 7.364 -2.308 1.00 5.61 C ATOM 0 H LEU A 125 -13.957 9.834 -1.581 1.00 3.52 H new ATOM 0 HA LEU A 125 -16.124 10.691 -3.390 1.00 4.14 H new ATOM 0 HB2 LEU A 125 -16.615 8.403 -3.859 1.00 4.72 H new ATOM 0 HB3 LEU A 125 -14.916 8.690 -4.176 1.00 4.72 H new ATOM 0 HG LEU A 125 -15.788 7.502 -1.545 1.00 4.91 H new ATOM 0 HD11 LEU A 125 -15.491 5.266 -2.537 1.00 5.60 H new ATOM 0 HD12 LEU A 125 -16.840 6.141 -3.300 1.00 5.60 H new ATOM 0 HD13 LEU A 125 -15.278 6.006 -4.142 1.00 5.60 H new ATOM 0 HD21 LEU A 125 -13.541 6.506 -1.687 1.00 5.61 H new ATOM 0 HD22 LEU A 125 -13.304 7.276 -3.274 1.00 5.61 H new ATOM 0 HD23 LEU A 125 -13.476 8.280 -1.815 1.00 5.61 H new ATOM 1211 N GLY A 126 -18.001 9.798 -1.834 1.00 5.52 N ATOM 1212 CA GLY A 126 -19.030 9.740 -0.824 1.00 6.43 C ATOM 1213 C GLY A 126 -20.375 10.123 -1.389 1.00 7.04 C ATOM 1214 O GLY A 126 -20.429 10.717 -2.469 1.00 7.19 O ATOM 0 H GLY A 126 -18.346 9.783 -2.794 1.00 5.52 H new ATOM 0 HA2 GLY A 126 -19.080 8.733 -0.411 1.00 6.43 H new ATOM 0 HA3 GLY A 126 -18.774 10.409 -0.003 1.00 6.43 H new ATOM 1218 N ASN A 127 -21.438 9.767 -0.650 1.00 7.66 N ATOM 1219 CA ASN A 127 -22.857 9.989 -1.019 1.00 8.46 C ATOM 1220 C ASN A 127 -23.549 8.683 -1.436 1.00 9.17 C ATOM 1221 O ASN A 127 -24.580 8.341 -0.857 1.00 9.63 O ATOM 1222 CB ASN A 127 -23.084 11.090 -2.075 1.00 8.87 C ATOM 1223 CG ASN A 127 -23.038 12.498 -1.501 1.00 9.56 C ATOM 1224 OD1 ASN A 127 -22.244 12.704 -0.461 1.00 9.78 O flip ATOM 1225 ND2 ASN A 127 -23.714 13.402 -1.994 1.00 10.13 N flip ATOM 0 H ASN A 127 -21.337 9.301 0.252 1.00 7.66 H new ATOM 0 HA ASN A 127 -23.321 10.359 -0.105 1.00 8.46 H new ATOM 0 HB2 ASN A 127 -22.326 10.998 -2.853 1.00 8.87 H new ATOM 0 HB3 ASN A 127 -24.051 10.932 -2.552 1.00 8.87 H new ATOM 0 HD21 ASN A 127 -24.316 13.210 -2.795 1.00 10.13 H new ATOM 0 HD22 ASN A 127 -23.672 14.342 -1.601 1.00 10.13 H new ATOM 1232 N PRO A 128 -23.040 7.936 -2.444 1.00 9.47 N ATOM 1233 CA PRO A 128 -23.563 6.602 -2.755 1.00 10.33 C ATOM 1234 C PRO A 128 -23.336 5.633 -1.602 1.00 11.23 C ATOM 1235 O PRO A 128 -22.162 5.384 -1.259 1.00 11.71 O ATOM 1236 CB PRO A 128 -22.768 6.162 -3.992 1.00 10.58 C ATOM 1237 CG PRO A 128 -22.210 7.420 -4.552 1.00 9.76 C ATOM 1238 CD PRO A 128 -21.964 8.314 -3.375 1.00 9.24 C ATOM 1239 OXT PRO A 128 -24.333 5.160 -1.015 1.00 11.59 O ATOM 0 HA PRO A 128 -24.639 6.616 -2.927 1.00 10.33 H new ATOM 0 HB2 PRO A 128 -21.976 5.462 -3.725 1.00 10.58 H new ATOM 0 HB3 PRO A 128 -23.409 5.657 -4.715 1.00 10.58 H new ATOM 0 HG2 PRO A 128 -21.286 7.229 -5.099 1.00 9.76 H new ATOM 0 HG3 PRO A 128 -22.907 7.879 -5.253 1.00 9.76 H new ATOM 0 HD2 PRO A 128 -20.978 8.149 -2.941 1.00 9.24 H new ATOM 0 HD3 PRO A 128 -22.019 9.367 -3.649 1.00 9.24 H new TER 1247 PRO A 128