USER MOD reduce.3.24.130724 H: found=0, std=0, add=1059, rem=0, adj=48 USER MOD reduce.3.24.130724 removed 1059 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 98 THR OG1 : rot -70:sc= 0.541 USER MOD Set 1.2: A 129 HIS :FLIP no HD1:sc= 0.461 F(o=-0.61,f=1) USER MOD Set 2.1: A 52 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 76 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 39 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 97 SER OG : rot 180:sc= -0.329 USER MOD Set 4.1: A 38 ASN :FLIP amide:sc= -0.116 F(o=-2.5,f=-1.3) USER MOD Set 4.2: A 41 ASN :FLIP amide:sc= -1.14! C(o=-2.4!,f=-1.3!) USER MOD Set 5.1: A 22 LYS NZ :NH3+ 161:sc= -0.123 (180deg=-0.671) USER MOD Set 5.2: A 35 LYS NZ :NH3+ 156:sc= -0.605 (180deg=-1.58) USER MOD Set 6.1: A 19 ASN :FLIP amide:sc= -0.143 F(o=-3.4!,f=-2) USER MOD Set 6.2: A 102 TYR OH : rot -62:sc= -1.87! USER MOD Single : A 1 PHE N :NH3+ 146:sc= 0.341 (180deg=0.0315) USER MOD Single : A 2 ASN : amide:sc= -0.0573 X(o=-0.057,f=0) USER MOD Single : A 3 LYS NZ :NH3+ 159:sc= -2.34! (180deg=-3.69!) USER MOD Single : A 4 LYS NZ :NH3+ 158:sc= 0.23 (180deg=0.0869) USER MOD Single : A 8 ASN : amide:sc= -8.37! C(o=-8.4!,f=-15!) USER MOD Single : A 9 LYS NZ :NH3+ -175:sc= 0.438 (180deg=0.394) USER MOD Single : A 11 LYS NZ :NH3+ 160:sc= -0.46 (180deg=-1.09) USER MOD Single : A 17 THR OG1 : rot 101:sc= 1.28 USER MOD Single : A 20 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0657) USER MOD Single : A 21 ASN :FLIP amide:sc= -0.568 F(o=-4.8!,f=-0.57) USER MOD Single : A 30 SER OG : rot -16:sc= -1.19 USER MOD Single : A 33 GLN : amide:sc= -3.06! X(o=-3.1!,f=-3) USER MOD Single : A 34 TYR OH : rot -118:sc= 0.788 USER MOD Single : A 44 LYS NZ :NH3+ 164:sc= -0.0606 (180deg=-0.37) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot -24:sc= 0.847 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 33:sc= 0.25 USER MOD Single : A 68 THR OG1 : rot 140:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -162:sc= -1.44 (180deg=-1.87!) USER MOD Single : A 71 THR OG1 : rot 76:sc= 0.693 USER MOD Single : A 73 LYS NZ :NH3+ -167:sc= -0.0644 (180deg=-0.298) USER MOD Single : A 78 GLN :FLIP amide:sc= -1.73! C(o=-3.7!,f=-1.7!) USER MOD Single : A 80 SER OG : rot -28:sc= 0.775 USER MOD Single : A 81 GLN : amide:sc= -0.576 X(o=-0.58,f=-0.19) USER MOD Single : A 87 THR OG1 : rot 72:sc= -0.834 USER MOD Single : A 91 GLN :FLIP amide:sc= -2.27! C(o=-11!,f=-2.3!) USER MOD Single : A 93 MET CE :methyl 148:sc= -0.164 (180deg=-2.3) USER MOD Single : A 105 SER OG : rot 180:sc= -0.385 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot -33:sc= 0.923 USER MOD Single : A 121 ASN : amide:sc= -3.83 K(o=-3.8,f=-5.3!) USER MOD Single : A 123 THR OG1 : rot -80:sc= -0.111 USER MOD Single : A 127 LYS NZ :NH3+ -164:sc= -0.0911 (180deg=-0.458) USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 134 LYS NZ :NH3+ 168:sc= -0.0256 (180deg=-0.192) USER MOD Single : A 135 LYS NZ :NH3+ -171:sc=-0.00727 (180deg=-0.109) USER MOD Single : A 136 SER OG : rot 2:sc= 0.699 USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 -23.527 10.316 3.321 1.00 1.58 N ATOM 2 CA PHE A 1 -24.412 9.325 2.657 1.00 0.99 C ATOM 3 C PHE A 1 -23.847 7.913 2.787 1.00 0.95 C ATOM 4 O PHE A 1 -22.834 7.580 2.171 1.00 0.87 O ATOM 5 CB PHE A 1 -24.588 9.682 1.179 1.00 1.84 C ATOM 6 CG PHE A 1 -25.313 10.979 0.957 1.00 2.02 C ATOM 7 CD1 PHE A 1 -26.699 11.020 0.925 1.00 2.67 C ATOM 8 CD2 PHE A 1 -24.609 12.157 0.778 1.00 1.89 C ATOM 9 CE1 PHE A 1 -27.366 12.212 0.720 1.00 3.09 C ATOM 10 CE2 PHE A 1 -25.270 13.353 0.573 1.00 2.25 C ATOM 11 CZ PHE A 1 -26.659 13.377 0.548 1.00 2.83 C ATOM 0 H1 PHE A 1 -23.552 11.212 2.794 1.00 1.58 H new ATOM 0 H2 PHE A 1 -23.856 10.478 4.294 1.00 1.58 H new ATOM 0 H3 PHE A 1 -22.553 9.953 3.340 1.00 1.58 H new ATOM 0 HA PHE A 1 -25.383 9.353 3.151 1.00 0.99 H new ATOM 0 HB2 PHE A 1 -23.607 9.738 0.708 1.00 1.84 H new ATOM 0 HB3 PHE A 1 -25.134 8.880 0.682 1.00 1.84 H new ATOM 0 HD1 PHE A 1 -27.263 10.109 1.062 1.00 2.67 H new ATOM 0 HD2 PHE A 1 -23.529 12.141 0.799 1.00 1.89 H new ATOM 0 HE1 PHE A 1 -28.446 12.228 0.695 1.00 3.09 H new ATOM 0 HE2 PHE A 1 -24.709 14.265 0.433 1.00 2.25 H new ATOM 0 HZ PHE A 1 -27.182 14.309 0.394 1.00 2.83 H new ATOM 23 N ASN A 2 -24.509 7.090 3.594 1.00 1.03 N ATOM 24 CA ASN A 2 -24.081 5.712 3.811 1.00 1.03 C ATOM 25 C ASN A 2 -24.279 4.872 2.556 1.00 0.98 C ATOM 26 O ASN A 2 -23.693 3.799 2.423 1.00 0.95 O ATOM 27 CB ASN A 2 -24.849 5.095 4.982 1.00 1.14 C ATOM 28 CG ASN A 2 -24.623 5.845 6.281 1.00 1.25 C ATOM 29 OD1 ASN A 2 -23.717 5.522 7.049 1.00 2.08 O ATOM 30 ND2 ASN A 2 -25.449 6.855 6.533 1.00 1.42 N ATOM 0 H ASN A 2 -25.348 7.355 4.111 1.00 1.03 H new ATOM 0 HA ASN A 2 -23.017 5.724 4.049 1.00 1.03 H new ATOM 0 HB2 ASN A 2 -25.914 5.087 4.751 1.00 1.14 H new ATOM 0 HB3 ASN A 2 -24.542 4.056 5.107 1.00 1.14 H new ATOM 0 HD21 ASN A 2 -25.345 7.397 7.391 1.00 1.42 H new ATOM 0 HD22 ASN A 2 -26.187 7.089 5.868 1.00 1.42 H new ATOM 37 N LYS A 3 -25.116 5.354 1.641 1.00 0.99 N ATOM 38 CA LYS A 3 -25.361 4.636 0.397 1.00 0.99 C ATOM 39 C LYS A 3 -24.044 4.434 -0.344 1.00 0.88 C ATOM 40 O LYS A 3 -23.791 3.369 -0.908 1.00 0.88 O ATOM 41 CB LYS A 3 -26.359 5.406 -0.477 1.00 1.05 C ATOM 42 CG LYS A 3 -26.920 4.591 -1.635 1.00 1.40 C ATOM 43 CD LYS A 3 -26.017 4.639 -2.859 1.00 1.98 C ATOM 44 CE LYS A 3 -26.268 5.887 -3.692 1.00 2.69 C ATOM 45 NZ LYS A 3 -25.926 7.133 -2.952 1.00 3.23 N ATOM 0 H LYS A 3 -25.630 6.230 1.737 1.00 0.99 H new ATOM 0 HA LYS A 3 -25.792 3.661 0.625 1.00 0.99 H new ATOM 0 HB2 LYS A 3 -27.184 5.749 0.147 1.00 1.05 H new ATOM 0 HB3 LYS A 3 -25.869 6.295 -0.875 1.00 1.05 H new ATOM 0 HG2 LYS A 3 -27.048 3.555 -1.320 1.00 1.40 H new ATOM 0 HG3 LYS A 3 -27.908 4.969 -1.899 1.00 1.40 H new ATOM 0 HD2 LYS A 3 -24.974 4.615 -2.543 1.00 1.98 H new ATOM 0 HD3 LYS A 3 -26.185 3.753 -3.471 1.00 1.98 H new ATOM 0 HE2 LYS A 3 -25.678 5.836 -4.607 1.00 2.69 H new ATOM 0 HE3 LYS A 3 -27.316 5.919 -3.990 1.00 2.69 H new ATOM 0 HZ1 LYS A 3 -25.766 7.906 -3.629 1.00 3.23 H new ATOM 0 HZ2 LYS A 3 -26.710 7.386 -2.317 1.00 3.23 H new ATOM 0 HZ3 LYS A 3 -25.063 6.979 -2.393 1.00 3.23 H new ATOM 59 N LYS A 4 -23.208 5.468 -0.330 1.00 0.82 N ATOM 60 CA LYS A 4 -21.905 5.413 -0.981 1.00 0.74 C ATOM 61 C LYS A 4 -20.896 4.688 -0.100 1.00 0.69 C ATOM 62 O LYS A 4 -20.025 3.973 -0.595 1.00 0.64 O ATOM 63 CB LYS A 4 -21.401 6.824 -1.296 1.00 0.74 C ATOM 64 CG LYS A 4 -22.000 7.421 -2.560 1.00 1.23 C ATOM 65 CD LYS A 4 -21.417 6.778 -3.809 1.00 1.54 C ATOM 66 CE LYS A 4 -21.906 7.472 -5.071 1.00 2.11 C ATOM 67 NZ LYS A 4 -21.317 6.868 -6.299 1.00 2.63 N ATOM 0 H LYS A 4 -23.412 6.357 0.127 1.00 0.82 H new ATOM 0 HA LYS A 4 -22.016 4.862 -1.915 1.00 0.74 H new ATOM 0 HB2 LYS A 4 -21.628 7.477 -0.454 1.00 0.74 H new ATOM 0 HB3 LYS A 4 -20.316 6.798 -1.396 1.00 0.74 H new ATOM 0 HG2 LYS A 4 -23.082 7.286 -2.551 1.00 1.23 H new ATOM 0 HG3 LYS A 4 -21.813 8.495 -2.581 1.00 1.23 H new ATOM 0 HD2 LYS A 4 -20.329 6.820 -3.767 1.00 1.54 H new ATOM 0 HD3 LYS A 4 -21.694 5.724 -3.841 1.00 1.54 H new ATOM 0 HE2 LYS A 4 -22.993 7.411 -5.121 1.00 2.11 H new ATOM 0 HE3 LYS A 4 -21.648 8.530 -5.027 1.00 2.11 H new ATOM 0 HZ1 LYS A 4 -21.920 7.087 -7.117 1.00 2.63 H new ATOM 0 HZ2 LYS A 4 -20.366 7.258 -6.456 1.00 2.63 H new ATOM 0 HZ3 LYS A 4 -21.253 5.837 -6.182 1.00 2.63 H new ATOM 81 N ALA A 5 -21.021 4.882 1.210 1.00 0.73 N ATOM 82 CA ALA A 5 -20.121 4.246 2.161 1.00 0.73 C ATOM 83 C ALA A 5 -20.171 2.732 2.019 1.00 0.71 C ATOM 84 O ALA A 5 -19.139 2.071 1.948 1.00 0.64 O ATOM 85 CB ALA A 5 -20.466 4.662 3.582 1.00 0.82 C ATOM 0 H ALA A 5 -21.736 5.473 1.634 1.00 0.73 H new ATOM 0 HA ALA A 5 -19.105 4.575 1.943 1.00 0.73 H new ATOM 0 HB1 ALA A 5 -19.783 4.177 4.279 1.00 0.82 H new ATOM 0 HB2 ALA A 5 -20.374 5.744 3.677 1.00 0.82 H new ATOM 0 HB3 ALA A 5 -21.489 4.364 3.810 1.00 0.82 H new ATOM 91 N ASP A 6 -21.378 2.185 1.989 1.00 0.80 N ATOM 92 CA ASP A 6 -21.551 0.747 1.842 1.00 0.81 C ATOM 93 C ASP A 6 -21.285 0.312 0.410 1.00 0.75 C ATOM 94 O ASP A 6 -20.813 -0.800 0.173 1.00 0.74 O ATOM 95 CB ASP A 6 -22.954 0.323 2.276 1.00 0.90 C ATOM 96 CG ASP A 6 -23.154 -1.179 2.198 1.00 1.65 C ATOM 97 OD1 ASP A 6 -23.565 -1.667 1.124 1.00 2.57 O ATOM 98 OD2 ASP A 6 -22.900 -1.865 3.208 1.00 1.58 O ATOM 0 H ASP A 6 -22.248 2.712 2.064 1.00 0.80 H new ATOM 0 HA ASP A 6 -20.826 0.254 2.489 1.00 0.81 H new ATOM 0 HB2 ASP A 6 -23.132 0.658 3.298 1.00 0.90 H new ATOM 0 HB3 ASP A 6 -23.692 0.818 1.645 1.00 0.90 H new ATOM 103 N GLU A 7 -21.591 1.185 -0.544 1.00 0.74 N ATOM 104 CA GLU A 7 -21.357 0.871 -1.946 1.00 0.71 C ATOM 105 C GLU A 7 -19.887 0.529 -2.157 1.00 0.63 C ATOM 106 O GLU A 7 -19.549 -0.415 -2.877 1.00 0.59 O ATOM 107 CB GLU A 7 -21.756 2.051 -2.835 1.00 0.72 C ATOM 108 CG GLU A 7 -21.607 1.772 -4.321 1.00 1.31 C ATOM 109 CD GLU A 7 -22.130 2.904 -5.185 1.00 1.58 C ATOM 110 OE1 GLU A 7 -23.338 2.899 -5.501 1.00 2.10 O ATOM 111 OE2 GLU A 7 -21.331 3.794 -5.543 1.00 1.91 O ATOM 0 H GLU A 7 -21.997 2.105 -0.374 1.00 0.74 H new ATOM 0 HA GLU A 7 -21.969 0.012 -2.221 1.00 0.71 H new ATOM 0 HB2 GLU A 7 -22.792 2.318 -2.626 1.00 0.72 H new ATOM 0 HB3 GLU A 7 -21.145 2.915 -2.573 1.00 0.72 H new ATOM 0 HG2 GLU A 7 -20.555 1.601 -4.551 1.00 1.31 H new ATOM 0 HG3 GLU A 7 -22.141 0.855 -4.569 1.00 1.31 H new ATOM 118 N ASN A 8 -19.017 1.300 -1.513 1.00 0.61 N ATOM 119 CA ASN A 8 -17.586 1.080 -1.630 1.00 0.54 C ATOM 120 C ASN A 8 -17.126 -0.079 -0.748 1.00 0.48 C ATOM 121 O ASN A 8 -16.148 -0.758 -1.067 1.00 0.39 O ATOM 122 CB ASN A 8 -16.811 2.360 -1.305 1.00 0.62 C ATOM 123 CG ASN A 8 -16.989 2.814 0.129 1.00 0.62 C ATOM 124 OD1 ASN A 8 -16.854 2.029 1.063 1.00 1.40 O ATOM 125 ND2 ASN A 8 -17.294 4.094 0.309 1.00 0.55 N ATOM 0 H ASN A 8 -19.279 2.078 -0.908 1.00 0.61 H new ATOM 0 HA ASN A 8 -17.375 0.808 -2.664 1.00 0.54 H new ATOM 0 HB2 ASN A 8 -15.751 2.195 -1.499 1.00 0.62 H new ATOM 0 HB3 ASN A 8 -17.138 3.155 -1.975 1.00 0.62 H new ATOM 0 HD21 ASN A 8 -17.425 4.459 1.252 1.00 0.55 H new ATOM 0 HD22 ASN A 8 -17.397 4.712 -0.496 1.00 0.55 H new ATOM 132 N LYS A 9 -17.829 -0.302 0.358 1.00 0.57 N ATOM 133 CA LYS A 9 -17.496 -1.392 1.271 1.00 0.57 C ATOM 134 C LYS A 9 -17.486 -2.730 0.535 1.00 0.48 C ATOM 135 O LYS A 9 -16.579 -3.546 0.713 1.00 0.44 O ATOM 136 CB LYS A 9 -18.504 -1.446 2.421 1.00 0.72 C ATOM 137 CG LYS A 9 -18.153 -2.464 3.495 1.00 0.86 C ATOM 138 CD LYS A 9 -19.124 -2.400 4.665 1.00 1.55 C ATOM 139 CE LYS A 9 -18.699 -3.327 5.793 1.00 1.84 C ATOM 140 NZ LYS A 9 -18.706 -4.755 5.373 1.00 2.67 N ATOM 0 H LYS A 9 -18.633 0.257 0.644 1.00 0.57 H new ATOM 0 HA LYS A 9 -16.500 -1.205 1.673 1.00 0.57 H new ATOM 0 HB2 LYS A 9 -18.574 -0.459 2.878 1.00 0.72 H new ATOM 0 HB3 LYS A 9 -19.489 -1.681 2.018 1.00 0.72 H new ATOM 0 HG2 LYS A 9 -18.165 -3.466 3.066 1.00 0.86 H new ATOM 0 HG3 LYS A 9 -17.139 -2.282 3.852 1.00 0.86 H new ATOM 0 HD2 LYS A 9 -19.182 -1.377 5.036 1.00 1.55 H new ATOM 0 HD3 LYS A 9 -20.123 -2.673 4.325 1.00 1.55 H new ATOM 0 HE2 LYS A 9 -17.699 -3.053 6.130 1.00 1.84 H new ATOM 0 HE3 LYS A 9 -19.369 -3.196 6.642 1.00 1.84 H new ATOM 0 HZ1 LYS A 9 -18.493 -5.359 6.192 1.00 2.67 H new ATOM 0 HZ2 LYS A 9 -19.643 -5.001 4.996 1.00 2.67 H new ATOM 0 HZ3 LYS A 9 -17.987 -4.904 4.637 1.00 2.67 H new ATOM 154 N VAL A 10 -18.496 -2.940 -0.301 1.00 0.48 N ATOM 155 CA VAL A 10 -18.623 -4.179 -1.057 1.00 0.44 C ATOM 156 C VAL A 10 -17.691 -4.222 -2.268 1.00 0.39 C ATOM 157 O VAL A 10 -17.039 -5.237 -2.513 1.00 0.37 O ATOM 158 CB VAL A 10 -20.074 -4.399 -1.529 1.00 0.51 C ATOM 159 CG1 VAL A 10 -20.951 -4.836 -0.366 1.00 1.27 C ATOM 160 CG2 VAL A 10 -20.626 -3.136 -2.172 1.00 1.15 C ATOM 0 H VAL A 10 -19.241 -2.265 -0.472 1.00 0.48 H new ATOM 0 HA VAL A 10 -18.335 -4.979 -0.375 1.00 0.44 H new ATOM 0 HB VAL A 10 -20.076 -5.191 -2.278 1.00 0.51 H new ATOM 0 HG11 VAL A 10 -21.972 -4.987 -0.717 1.00 1.27 H new ATOM 0 HG12 VAL A 10 -20.568 -5.769 0.048 1.00 1.27 H new ATOM 0 HG13 VAL A 10 -20.943 -4.066 0.405 1.00 1.27 H new ATOM 0 HG21 VAL A 10 -21.651 -3.312 -2.498 1.00 1.15 H new ATOM 0 HG22 VAL A 10 -20.611 -2.322 -1.447 1.00 1.15 H new ATOM 0 HG23 VAL A 10 -20.012 -2.868 -3.032 1.00 1.15 H new ATOM 170 N LYS A 11 -17.627 -3.128 -3.026 1.00 0.38 N ATOM 171 CA LYS A 11 -16.776 -3.082 -4.216 1.00 0.37 C ATOM 172 C LYS A 11 -15.309 -3.334 -3.864 1.00 0.31 C ATOM 173 O LYS A 11 -14.567 -3.928 -4.648 1.00 0.30 O ATOM 174 CB LYS A 11 -16.926 -1.739 -4.939 1.00 0.40 C ATOM 175 CG LYS A 11 -16.068 -0.623 -4.364 1.00 0.39 C ATOM 176 CD LYS A 11 -16.291 0.692 -5.098 1.00 0.46 C ATOM 177 CE LYS A 11 -15.835 0.612 -6.548 1.00 1.37 C ATOM 178 NZ LYS A 11 -16.037 1.901 -7.263 1.00 1.69 N ATOM 0 H LYS A 11 -18.147 -2.270 -2.841 1.00 0.38 H new ATOM 0 HA LYS A 11 -17.104 -3.878 -4.885 1.00 0.37 H new ATOM 0 HB2 LYS A 11 -16.670 -1.874 -5.990 1.00 0.40 H new ATOM 0 HB3 LYS A 11 -17.972 -1.434 -4.902 1.00 0.40 H new ATOM 0 HG2 LYS A 11 -16.299 -0.494 -3.307 1.00 0.39 H new ATOM 0 HG3 LYS A 11 -15.016 -0.902 -4.428 1.00 0.39 H new ATOM 0 HD2 LYS A 11 -17.349 0.953 -5.063 1.00 0.46 H new ATOM 0 HD3 LYS A 11 -15.749 1.489 -4.589 1.00 0.46 H new ATOM 0 HE2 LYS A 11 -14.780 0.339 -6.583 1.00 1.37 H new ATOM 0 HE3 LYS A 11 -16.386 -0.177 -7.059 1.00 1.37 H new ATOM 0 HZ1 LYS A 11 -15.430 1.929 -8.107 1.00 1.69 H new ATOM 0 HZ2 LYS A 11 -17.033 1.986 -7.550 1.00 1.69 H new ATOM 0 HZ3 LYS A 11 -15.790 2.690 -6.632 1.00 1.69 H new ATOM 192 N GLY A 12 -14.897 -2.883 -2.682 1.00 0.31 N ATOM 193 CA GLY A 12 -13.525 -3.069 -2.253 1.00 0.29 C ATOM 194 C GLY A 12 -13.256 -4.486 -1.796 1.00 0.27 C ATOM 195 O GLY A 12 -12.322 -5.130 -2.274 1.00 0.28 O ATOM 0 H GLY A 12 -15.491 -2.392 -2.014 1.00 0.31 H new ATOM 0 HA2 GLY A 12 -12.853 -2.820 -3.074 1.00 0.29 H new ATOM 0 HA3 GLY A 12 -13.304 -2.378 -1.439 1.00 0.29 H new ATOM 199 N GLU A 13 -14.077 -4.975 -0.870 1.00 0.26 N ATOM 200 CA GLU A 13 -13.923 -6.331 -0.359 1.00 0.26 C ATOM 201 C GLU A 13 -14.036 -7.346 -1.490 1.00 0.23 C ATOM 202 O GLU A 13 -13.502 -8.450 -1.404 1.00 0.23 O ATOM 203 CB GLU A 13 -14.975 -6.623 0.713 1.00 0.30 C ATOM 204 CG GLU A 13 -14.793 -5.810 1.984 1.00 1.16 C ATOM 205 CD GLU A 13 -15.825 -6.148 3.041 1.00 1.67 C ATOM 206 OE1 GLU A 13 -16.906 -5.525 3.034 1.00 2.39 O ATOM 207 OE2 GLU A 13 -15.550 -7.038 3.873 1.00 1.95 O ATOM 0 H GLU A 13 -14.852 -4.454 -0.461 1.00 0.26 H new ATOM 0 HA GLU A 13 -12.933 -6.415 0.089 1.00 0.26 H new ATOM 0 HB2 GLU A 13 -15.965 -6.423 0.303 1.00 0.30 H new ATOM 0 HB3 GLU A 13 -14.942 -7.684 0.963 1.00 0.30 H new ATOM 0 HG2 GLU A 13 -13.795 -5.987 2.385 1.00 1.16 H new ATOM 0 HG3 GLU A 13 -14.857 -4.748 1.745 1.00 1.16 H new ATOM 214 N ALA A 14 -14.735 -6.962 -2.550 1.00 0.22 N ATOM 215 CA ALA A 14 -14.913 -7.834 -3.702 1.00 0.21 C ATOM 216 C ALA A 14 -13.661 -7.839 -4.568 1.00 0.19 C ATOM 217 O ALA A 14 -13.277 -8.874 -5.114 1.00 0.23 O ATOM 218 CB ALA A 14 -16.126 -7.402 -4.514 1.00 0.23 C ATOM 0 H ALA A 14 -15.188 -6.052 -2.635 1.00 0.22 H new ATOM 0 HA ALA A 14 -15.084 -8.849 -3.343 1.00 0.21 H new ATOM 0 HB1 ALA A 14 -16.245 -8.064 -5.371 1.00 0.23 H new ATOM 0 HB2 ALA A 14 -17.018 -7.453 -3.890 1.00 0.23 H new ATOM 0 HB3 ALA A 14 -15.985 -6.379 -4.863 1.00 0.23 H new ATOM 224 N PHE A 15 -13.026 -6.676 -4.688 1.00 0.19 N ATOM 225 CA PHE A 15 -11.807 -6.551 -5.478 1.00 0.17 C ATOM 226 C PHE A 15 -10.699 -7.430 -4.908 1.00 0.15 C ATOM 227 O PHE A 15 -10.090 -8.217 -5.632 1.00 0.15 O ATOM 228 CB PHE A 15 -11.351 -5.089 -5.532 1.00 0.20 C ATOM 229 CG PHE A 15 -9.858 -4.911 -5.610 1.00 0.19 C ATOM 230 CD1 PHE A 15 -9.151 -5.287 -6.743 1.00 0.20 C ATOM 231 CD2 PHE A 15 -9.165 -4.362 -4.545 1.00 0.22 C ATOM 232 CE1 PHE A 15 -7.780 -5.118 -6.808 1.00 0.22 C ATOM 233 CE2 PHE A 15 -7.794 -4.190 -4.604 1.00 0.23 C ATOM 234 CZ PHE A 15 -7.101 -4.570 -5.736 1.00 0.21 C ATOM 0 H PHE A 15 -13.336 -5.809 -4.249 1.00 0.19 H new ATOM 0 HA PHE A 15 -12.024 -6.887 -6.492 1.00 0.17 H new ATOM 0 HB2 PHE A 15 -11.809 -4.609 -6.397 1.00 0.20 H new ATOM 0 HB3 PHE A 15 -11.722 -4.572 -4.647 1.00 0.20 H new ATOM 0 HD1 PHE A 15 -9.677 -5.716 -7.583 1.00 0.20 H new ATOM 0 HD2 PHE A 15 -9.702 -4.064 -3.656 1.00 0.22 H new ATOM 0 HE1 PHE A 15 -7.240 -5.414 -7.695 1.00 0.22 H new ATOM 0 HE2 PHE A 15 -7.266 -3.759 -3.766 1.00 0.23 H new ATOM 0 HZ PHE A 15 -6.030 -4.439 -5.784 1.00 0.21 H new ATOM 244 N LEU A 16 -10.438 -7.295 -3.610 1.00 0.16 N ATOM 245 CA LEU A 16 -9.390 -8.089 -2.973 1.00 0.18 C ATOM 246 C LEU A 16 -9.769 -9.565 -2.928 1.00 0.18 C ATOM 247 O LEU A 16 -8.902 -10.437 -3.008 1.00 0.19 O ATOM 248 CB LEU A 16 -9.063 -7.574 -1.574 1.00 0.24 C ATOM 249 CG LEU A 16 -10.249 -7.038 -0.775 1.00 0.40 C ATOM 250 CD1 LEU A 16 -10.943 -8.168 -0.031 1.00 0.53 C ATOM 251 CD2 LEU A 16 -9.793 -5.962 0.198 1.00 0.55 C ATOM 0 H LEU A 16 -10.929 -6.654 -2.987 1.00 0.16 H new ATOM 0 HA LEU A 16 -8.492 -7.985 -3.582 1.00 0.18 H new ATOM 0 HB2 LEU A 16 -8.602 -8.383 -1.007 1.00 0.24 H new ATOM 0 HB3 LEU A 16 -8.319 -6.782 -1.662 1.00 0.24 H new ATOM 0 HG LEU A 16 -10.961 -6.594 -1.471 1.00 0.40 H new ATOM 0 HD11 LEU A 16 -11.786 -7.769 0.533 1.00 0.53 H new ATOM 0 HD12 LEU A 16 -11.303 -8.907 -0.746 1.00 0.53 H new ATOM 0 HD13 LEU A 16 -10.238 -8.639 0.654 1.00 0.53 H new ATOM 0 HD21 LEU A 16 -10.651 -5.591 0.759 1.00 0.55 H new ATOM 0 HD22 LEU A 16 -9.062 -6.382 0.889 1.00 0.55 H new ATOM 0 HD23 LEU A 16 -9.339 -5.140 -0.355 1.00 0.55 H new ATOM 263 N THR A 17 -11.064 -9.845 -2.796 1.00 0.19 N ATOM 264 CA THR A 17 -11.535 -11.222 -2.766 1.00 0.20 C ATOM 265 C THR A 17 -11.104 -11.934 -4.040 1.00 0.21 C ATOM 266 O THR A 17 -10.604 -13.055 -4.001 1.00 0.22 O ATOM 267 CB THR A 17 -13.071 -11.299 -2.618 1.00 0.22 C ATOM 268 OG1 THR A 17 -13.445 -10.980 -1.273 1.00 0.24 O ATOM 269 CG2 THR A 17 -13.591 -12.685 -2.976 1.00 0.27 C ATOM 0 H THR A 17 -11.798 -9.142 -2.709 1.00 0.19 H new ATOM 0 HA THR A 17 -11.093 -11.710 -1.897 1.00 0.20 H new ATOM 0 HB THR A 17 -13.514 -10.578 -3.306 1.00 0.22 H new ATOM 0 HG1 THR A 17 -13.768 -10.055 -1.234 1.00 0.24 H new ATOM 0 HG21 THR A 17 -14.675 -12.708 -2.862 1.00 0.27 H new ATOM 0 HG22 THR A 17 -13.330 -12.916 -4.009 1.00 0.27 H new ATOM 0 HG23 THR A 17 -13.141 -13.425 -2.314 1.00 0.27 H new ATOM 277 N GLU A 18 -11.305 -11.268 -5.168 1.00 0.21 N ATOM 278 CA GLU A 18 -10.914 -11.818 -6.460 1.00 0.22 C ATOM 279 C GLU A 18 -9.398 -11.745 -6.617 1.00 0.21 C ATOM 280 O GLU A 18 -8.782 -12.597 -7.260 1.00 0.24 O ATOM 281 CB GLU A 18 -11.600 -11.052 -7.596 1.00 0.23 C ATOM 282 CG GLU A 18 -11.283 -11.597 -8.981 1.00 1.25 C ATOM 283 CD GLU A 18 -11.792 -13.011 -9.185 1.00 1.71 C ATOM 284 OE1 GLU A 18 -11.067 -13.961 -8.822 1.00 2.47 O ATOM 285 OE2 GLU A 18 -12.915 -13.167 -9.709 1.00 2.02 O ATOM 0 H GLU A 18 -11.737 -10.345 -5.216 1.00 0.21 H new ATOM 0 HA GLU A 18 -11.227 -12.861 -6.507 1.00 0.22 H new ATOM 0 HB2 GLU A 18 -12.679 -11.081 -7.442 1.00 0.23 H new ATOM 0 HB3 GLU A 18 -11.299 -10.005 -7.550 1.00 0.23 H new ATOM 0 HG2 GLU A 18 -11.725 -10.944 -9.734 1.00 1.25 H new ATOM 0 HG3 GLU A 18 -10.204 -11.578 -9.136 1.00 1.25 H new ATOM 292 N ASN A 19 -8.810 -10.714 -6.015 1.00 0.19 N ATOM 293 CA ASN A 19 -7.369 -10.490 -6.078 1.00 0.19 C ATOM 294 C ASN A 19 -6.569 -11.652 -5.488 1.00 0.21 C ATOM 295 O ASN A 19 -5.416 -11.863 -5.858 1.00 0.22 O ATOM 296 CB ASN A 19 -7.000 -9.201 -5.337 1.00 0.17 C ATOM 297 CG ASN A 19 -5.581 -9.247 -4.815 1.00 0.16 C ATOM 298 OD1 ASN A 19 -5.408 -9.863 -3.650 1.00 0.22 O flip ATOM 299 ND2 ASN A 19 -4.653 -8.749 -5.453 1.00 0.18 N flip ATOM 0 H ASN A 19 -9.316 -10.014 -5.473 1.00 0.19 H new ATOM 0 HA ASN A 19 -7.111 -10.407 -7.134 1.00 0.19 H new ATOM 0 HB2 ASN A 19 -7.114 -8.349 -6.008 1.00 0.17 H new ATOM 0 HB3 ASN A 19 -7.689 -9.048 -4.507 1.00 0.17 H new ATOM 0 HD21 ASN A 19 -4.837 -8.286 -6.343 1.00 0.18 H new ATOM 0 HD22 ASN A 19 -3.701 -8.799 -5.091 1.00 0.18 H new ATOM 306 N LYS A 20 -7.168 -12.394 -4.563 1.00 0.23 N ATOM 307 CA LYS A 20 -6.483 -13.518 -3.925 1.00 0.26 C ATOM 308 C LYS A 20 -5.823 -14.436 -4.955 1.00 0.27 C ATOM 309 O LYS A 20 -4.922 -15.208 -4.625 1.00 0.29 O ATOM 310 CB LYS A 20 -7.449 -14.309 -3.041 1.00 0.29 C ATOM 311 CG LYS A 20 -8.474 -15.128 -3.807 1.00 1.04 C ATOM 312 CD LYS A 20 -9.614 -15.572 -2.904 1.00 1.41 C ATOM 313 CE LYS A 20 -9.114 -16.363 -1.703 1.00 1.75 C ATOM 314 NZ LYS A 20 -8.394 -17.601 -2.111 1.00 2.45 N ATOM 0 H LYS A 20 -8.122 -12.240 -4.238 1.00 0.23 H new ATOM 0 HA LYS A 20 -5.693 -13.106 -3.297 1.00 0.26 H new ATOM 0 HB2 LYS A 20 -6.872 -14.977 -2.401 1.00 0.29 H new ATOM 0 HB3 LYS A 20 -7.974 -13.614 -2.385 1.00 0.29 H new ATOM 0 HG2 LYS A 20 -8.871 -14.538 -4.633 1.00 1.04 H new ATOM 0 HG3 LYS A 20 -7.991 -16.002 -4.243 1.00 1.04 H new ATOM 0 HD2 LYS A 20 -10.165 -14.697 -2.558 1.00 1.41 H new ATOM 0 HD3 LYS A 20 -10.313 -16.183 -3.476 1.00 1.41 H new ATOM 0 HE2 LYS A 20 -8.450 -15.737 -1.108 1.00 1.75 H new ATOM 0 HE3 LYS A 20 -9.958 -16.628 -1.066 1.00 1.75 H new ATOM 0 HZ1 LYS A 20 -8.160 -18.161 -1.266 1.00 2.45 H new ATOM 0 HZ2 LYS A 20 -9.000 -18.163 -2.742 1.00 2.45 H new ATOM 0 HZ3 LYS A 20 -7.518 -17.345 -2.610 1.00 2.45 H new ATOM 328 N ASN A 21 -6.275 -14.344 -6.202 1.00 0.27 N ATOM 329 CA ASN A 21 -5.746 -15.173 -7.281 1.00 0.30 C ATOM 330 C ASN A 21 -4.309 -14.798 -7.644 1.00 0.28 C ATOM 331 O ASN A 21 -3.511 -15.663 -8.007 1.00 0.31 O ATOM 332 CB ASN A 21 -6.637 -15.054 -8.517 1.00 0.33 C ATOM 333 CG ASN A 21 -8.017 -15.627 -8.279 1.00 0.35 C ATOM 334 OD1 ASN A 21 -8.507 -15.490 -7.054 1.00 0.40 O flip ATOM 335 ND2 ASN A 21 -8.640 -16.180 -9.187 1.00 0.34 N flip ATOM 0 H ASN A 21 -7.011 -13.700 -6.492 1.00 0.27 H new ATOM 0 HA ASN A 21 -5.740 -16.203 -6.926 1.00 0.30 H new ATOM 0 HB2 ASN A 21 -6.724 -14.005 -8.801 1.00 0.33 H new ATOM 0 HB3 ASN A 21 -6.168 -15.573 -9.353 1.00 0.33 H new ATOM 0 HD21 ASN A 21 -8.224 -16.263 -10.114 1.00 0.34 H new ATOM 0 HD22 ASN A 21 -9.572 -16.555 -9.011 1.00 0.34 H new ATOM 342 N LYS A 22 -3.987 -13.507 -7.555 1.00 0.25 N ATOM 343 CA LYS A 22 -2.644 -13.021 -7.881 1.00 0.24 C ATOM 344 C LYS A 22 -1.566 -13.900 -7.244 1.00 0.24 C ATOM 345 O LYS A 22 -1.607 -14.173 -6.048 1.00 0.23 O ATOM 346 CB LYS A 22 -2.469 -11.569 -7.416 1.00 0.26 C ATOM 347 CG LYS A 22 -3.561 -10.615 -7.893 1.00 0.41 C ATOM 348 CD LYS A 22 -4.051 -10.953 -9.294 1.00 1.16 C ATOM 349 CE LYS A 22 -4.930 -9.850 -9.861 1.00 1.03 C ATOM 350 NZ LYS A 22 -4.209 -8.549 -9.932 1.00 1.40 N ATOM 0 H LYS A 22 -4.637 -12.778 -7.260 1.00 0.25 H new ATOM 0 HA LYS A 22 -2.531 -13.067 -8.964 1.00 0.24 H new ATOM 0 HB2 LYS A 22 -2.439 -11.551 -6.327 1.00 0.26 H new ATOM 0 HB3 LYS A 22 -1.505 -11.202 -7.768 1.00 0.26 H new ATOM 0 HG2 LYS A 22 -4.400 -10.650 -7.198 1.00 0.41 H new ATOM 0 HG3 LYS A 22 -3.180 -9.594 -7.880 1.00 0.41 H new ATOM 0 HD2 LYS A 22 -3.196 -11.111 -9.951 1.00 1.16 H new ATOM 0 HD3 LYS A 22 -4.611 -11.888 -9.269 1.00 1.16 H new ATOM 0 HE2 LYS A 22 -5.270 -10.132 -10.858 1.00 1.03 H new ATOM 0 HE3 LYS A 22 -5.819 -9.739 -9.241 1.00 1.03 H new ATOM 0 HZ1 LYS A 22 -4.698 -7.917 -10.598 1.00 1.40 H new ATOM 0 HZ2 LYS A 22 -4.190 -8.111 -8.989 1.00 1.40 H new ATOM 0 HZ3 LYS A 22 -3.235 -8.709 -10.259 1.00 1.40 H new ATOM 364 N PRO A 23 -0.594 -14.381 -8.041 1.00 0.29 N ATOM 365 CA PRO A 23 0.492 -15.223 -7.532 1.00 0.33 C ATOM 366 C PRO A 23 1.287 -14.533 -6.428 1.00 0.33 C ATOM 367 O PRO A 23 1.605 -13.348 -6.530 1.00 0.34 O ATOM 368 CB PRO A 23 1.383 -15.466 -8.758 1.00 0.42 C ATOM 369 CG PRO A 23 0.984 -14.424 -9.747 1.00 0.65 C ATOM 370 CD PRO A 23 -0.467 -14.144 -9.488 1.00 0.35 C ATOM 0 HA PRO A 23 0.111 -16.141 -7.085 1.00 0.33 H new ATOM 0 HB2 PRO A 23 2.439 -15.380 -8.500 1.00 0.42 H new ATOM 0 HB3 PRO A 23 1.234 -16.468 -9.160 1.00 0.42 H new ATOM 0 HG2 PRO A 23 1.583 -13.522 -9.627 1.00 0.65 H new ATOM 0 HG3 PRO A 23 1.138 -14.775 -10.767 1.00 0.65 H new ATOM 0 HD2 PRO A 23 -0.735 -13.122 -9.755 1.00 0.35 H new ATOM 0 HD3 PRO A 23 -1.115 -14.804 -10.064 1.00 0.35 H new ATOM 378 N GLY A 24 1.606 -15.279 -5.376 1.00 0.34 N ATOM 379 CA GLY A 24 2.379 -14.725 -4.280 1.00 0.37 C ATOM 380 C GLY A 24 1.536 -14.057 -3.206 1.00 0.33 C ATOM 381 O GLY A 24 2.082 -13.533 -2.235 1.00 0.36 O ATOM 0 H GLY A 24 1.343 -16.258 -5.263 1.00 0.34 H new ATOM 0 HA2 GLY A 24 2.966 -15.522 -3.824 1.00 0.37 H new ATOM 0 HA3 GLY A 24 3.085 -13.997 -4.679 1.00 0.37 H new ATOM 385 N VAL A 25 0.212 -14.064 -3.368 1.00 0.29 N ATOM 386 CA VAL A 25 -0.667 -13.453 -2.373 1.00 0.29 C ATOM 387 C VAL A 25 -0.414 -14.067 -1.000 1.00 0.26 C ATOM 388 O VAL A 25 -0.833 -15.189 -0.719 1.00 0.31 O ATOM 389 CB VAL A 25 -2.160 -13.604 -2.744 1.00 0.35 C ATOM 390 CG1 VAL A 25 -3.059 -13.337 -1.542 1.00 0.91 C ATOM 391 CG2 VAL A 25 -2.520 -12.662 -3.880 1.00 0.81 C ATOM 0 H VAL A 25 -0.268 -14.479 -4.166 1.00 0.29 H new ATOM 0 HA VAL A 25 -0.437 -12.388 -2.349 1.00 0.29 H new ATOM 0 HB VAL A 25 -2.320 -14.633 -3.067 1.00 0.35 H new ATOM 0 HG11 VAL A 25 -4.102 -13.451 -1.836 1.00 0.91 H new ATOM 0 HG12 VAL A 25 -2.826 -14.047 -0.748 1.00 0.91 H new ATOM 0 HG13 VAL A 25 -2.892 -12.322 -1.181 1.00 0.91 H new ATOM 0 HG21 VAL A 25 -3.574 -12.780 -4.130 1.00 0.81 H new ATOM 0 HG22 VAL A 25 -2.333 -11.633 -3.573 1.00 0.81 H new ATOM 0 HG23 VAL A 25 -1.912 -12.896 -4.754 1.00 0.81 H new ATOM 401 N VAL A 26 0.282 -13.318 -0.157 1.00 0.24 N ATOM 402 CA VAL A 26 0.608 -13.777 1.185 1.00 0.27 C ATOM 403 C VAL A 26 0.166 -12.764 2.235 1.00 0.25 C ATOM 404 O VAL A 26 0.373 -11.561 2.076 1.00 0.25 O ATOM 405 CB VAL A 26 2.120 -14.029 1.330 1.00 0.31 C ATOM 406 CG1 VAL A 26 2.903 -12.759 1.042 1.00 0.77 C ATOM 407 CG2 VAL A 26 2.446 -14.565 2.716 1.00 1.03 C ATOM 0 H VAL A 26 0.633 -12.387 -0.380 1.00 0.24 H new ATOM 0 HA VAL A 26 0.072 -14.712 1.345 1.00 0.27 H new ATOM 0 HB VAL A 26 2.414 -14.783 0.599 1.00 0.31 H new ATOM 0 HG11 VAL A 26 3.969 -12.957 1.150 1.00 0.77 H new ATOM 0 HG12 VAL A 26 2.696 -12.427 0.025 1.00 0.77 H new ATOM 0 HG13 VAL A 26 2.606 -11.981 1.745 1.00 0.77 H new ATOM 0 HG21 VAL A 26 3.519 -14.736 2.797 1.00 1.03 H new ATOM 0 HG22 VAL A 26 2.136 -13.840 3.469 1.00 1.03 H new ATOM 0 HG23 VAL A 26 1.916 -15.504 2.877 1.00 1.03 H new ATOM 417 N VAL A 27 -0.445 -13.257 3.307 1.00 0.29 N ATOM 418 CA VAL A 27 -0.914 -12.392 4.380 1.00 0.29 C ATOM 419 C VAL A 27 0.188 -12.138 5.404 1.00 0.31 C ATOM 420 O VAL A 27 0.969 -13.034 5.728 1.00 0.35 O ATOM 421 CB VAL A 27 -2.143 -12.990 5.096 1.00 0.35 C ATOM 422 CG1 VAL A 27 -1.828 -14.376 5.638 1.00 0.71 C ATOM 423 CG2 VAL A 27 -2.613 -12.070 6.215 1.00 0.91 C ATOM 0 H VAL A 27 -0.626 -14.250 3.455 1.00 0.29 H new ATOM 0 HA VAL A 27 -1.201 -11.447 3.919 1.00 0.29 H new ATOM 0 HB VAL A 27 -2.949 -13.083 4.369 1.00 0.35 H new ATOM 0 HG11 VAL A 27 -2.708 -14.779 6.139 1.00 0.71 H new ATOM 0 HG12 VAL A 27 -1.546 -15.033 4.815 1.00 0.71 H new ATOM 0 HG13 VAL A 27 -1.004 -14.310 6.349 1.00 0.71 H new ATOM 0 HG21 VAL A 27 -3.480 -12.510 6.707 1.00 0.91 H new ATOM 0 HG22 VAL A 27 -1.810 -11.941 6.941 1.00 0.91 H new ATOM 0 HG23 VAL A 27 -2.885 -11.100 5.799 1.00 0.91 H new ATOM 433 N LEU A 28 0.243 -10.912 5.911 1.00 0.32 N ATOM 434 CA LEU A 28 1.245 -10.531 6.900 1.00 0.36 C ATOM 435 C LEU A 28 0.644 -10.517 8.303 1.00 0.40 C ATOM 436 O LEU A 28 -0.575 -10.577 8.454 1.00 0.38 O ATOM 437 CB LEU A 28 1.815 -9.148 6.567 1.00 0.35 C ATOM 438 CG LEU A 28 2.594 -9.057 5.255 1.00 0.33 C ATOM 439 CD1 LEU A 28 3.221 -7.682 5.104 1.00 0.37 C ATOM 440 CD2 LEU A 28 3.661 -10.141 5.186 1.00 0.38 C ATOM 0 H LEU A 28 -0.398 -10.162 5.652 1.00 0.32 H new ATOM 0 HA LEU A 28 2.048 -11.268 6.873 1.00 0.36 H new ATOM 0 HB2 LEU A 28 0.992 -8.434 6.531 1.00 0.35 H new ATOM 0 HB3 LEU A 28 2.471 -8.839 7.381 1.00 0.35 H new ATOM 0 HG LEU A 28 1.897 -9.212 4.431 1.00 0.33 H new ATOM 0 HD11 LEU A 28 3.772 -7.634 4.165 1.00 0.37 H new ATOM 0 HD12 LEU A 28 2.438 -6.923 5.105 1.00 0.37 H new ATOM 0 HD13 LEU A 28 3.903 -7.500 5.934 1.00 0.37 H new ATOM 0 HD21 LEU A 28 4.204 -10.058 4.244 1.00 0.38 H new ATOM 0 HD22 LEU A 28 4.356 -10.021 6.017 1.00 0.38 H new ATOM 0 HD23 LEU A 28 3.188 -11.121 5.247 1.00 0.38 H new ATOM 452 N PRO A 29 1.485 -10.468 9.357 1.00 0.46 N ATOM 453 CA PRO A 29 0.996 -10.419 10.735 1.00 0.51 C ATOM 454 C PRO A 29 0.009 -9.275 10.936 1.00 0.47 C ATOM 455 O PRO A 29 -0.905 -9.363 11.757 1.00 0.49 O ATOM 456 CB PRO A 29 2.265 -10.187 11.559 1.00 0.59 C ATOM 457 CG PRO A 29 3.364 -10.739 10.719 1.00 0.59 C ATOM 458 CD PRO A 29 2.961 -10.483 9.293 1.00 0.50 C ATOM 0 HA PRO A 29 0.459 -11.324 11.018 1.00 0.51 H new ATOM 0 HB2 PRO A 29 2.417 -9.127 11.764 1.00 0.59 H new ATOM 0 HB3 PRO A 29 2.210 -10.693 12.523 1.00 0.59 H new ATOM 0 HG2 PRO A 29 4.313 -10.255 10.950 1.00 0.59 H new ATOM 0 HG3 PRO A 29 3.498 -11.805 10.902 1.00 0.59 H new ATOM 0 HD2 PRO A 29 3.358 -9.536 8.926 1.00 0.50 H new ATOM 0 HD3 PRO A 29 3.327 -11.262 8.625 1.00 0.50 H new ATOM 466 N SER A 30 0.201 -8.201 10.172 1.00 0.43 N ATOM 467 CA SER A 30 -0.674 -7.038 10.256 1.00 0.41 C ATOM 468 C SER A 30 -1.921 -7.233 9.399 1.00 0.36 C ATOM 469 O SER A 30 -2.884 -6.478 9.516 1.00 0.36 O ATOM 470 CB SER A 30 0.066 -5.769 9.832 1.00 0.43 C ATOM 471 OG SER A 30 -0.802 -4.651 9.831 1.00 1.14 O ATOM 0 H SER A 30 0.954 -8.114 9.490 1.00 0.43 H new ATOM 0 HA SER A 30 -0.983 -6.927 11.295 1.00 0.41 H new ATOM 0 HB2 SER A 30 0.899 -5.586 10.510 1.00 0.43 H new ATOM 0 HB3 SER A 30 0.489 -5.906 8.837 1.00 0.43 H new ATOM 0 HG SER A 30 -1.732 -4.959 9.853 1.00 1.14 H new ATOM 477 N GLY A 31 -1.899 -8.251 8.535 1.00 0.34 N ATOM 478 CA GLY A 31 -3.053 -8.531 7.695 1.00 0.31 C ATOM 479 C GLY A 31 -2.899 -8.082 6.251 1.00 0.27 C ATOM 480 O GLY A 31 -3.884 -8.016 5.517 1.00 0.30 O ATOM 0 H GLY A 31 -1.108 -8.881 8.404 1.00 0.34 H new ATOM 0 HA2 GLY A 31 -3.248 -9.603 7.711 1.00 0.31 H new ATOM 0 HA3 GLY A 31 -3.927 -8.042 8.124 1.00 0.31 H new ATOM 484 N LEU A 32 -1.677 -7.766 5.840 1.00 0.25 N ATOM 485 CA LEU A 32 -1.436 -7.302 4.474 1.00 0.25 C ATOM 486 C LEU A 32 -1.231 -8.433 3.471 1.00 0.22 C ATOM 487 O LEU A 32 -0.532 -9.408 3.739 1.00 0.23 O ATOM 488 CB LEU A 32 -0.230 -6.374 4.429 1.00 0.35 C ATOM 489 CG LEU A 32 -0.471 -5.001 5.042 1.00 0.44 C ATOM 490 CD1 LEU A 32 -0.331 -5.069 6.551 1.00 1.19 C ATOM 491 CD2 LEU A 32 0.485 -3.980 4.450 1.00 1.35 C ATOM 0 H LEU A 32 -0.843 -7.821 6.425 1.00 0.25 H new ATOM 0 HA LEU A 32 -2.340 -6.769 4.181 1.00 0.25 H new ATOM 0 HB2 LEU A 32 0.600 -6.851 4.950 1.00 0.35 H new ATOM 0 HB3 LEU A 32 0.077 -6.246 3.391 1.00 0.35 H new ATOM 0 HG LEU A 32 -1.487 -4.684 4.808 1.00 0.44 H new ATOM 0 HD11 LEU A 32 -0.506 -4.081 6.977 1.00 1.19 H new ATOM 0 HD12 LEU A 32 -1.061 -5.772 6.953 1.00 1.19 H new ATOM 0 HD13 LEU A 32 0.674 -5.403 6.808 1.00 1.19 H new ATOM 0 HD21 LEU A 32 0.299 -3.004 4.899 1.00 1.35 H new ATOM 0 HD22 LEU A 32 1.512 -4.283 4.653 1.00 1.35 H new ATOM 0 HD23 LEU A 32 0.331 -3.919 3.373 1.00 1.35 H new ATOM 503 N GLN A 33 -1.848 -8.269 2.306 1.00 0.23 N ATOM 504 CA GLN A 33 -1.718 -9.215 1.204 1.00 0.22 C ATOM 505 C GLN A 33 -1.092 -8.480 0.024 1.00 0.21 C ATOM 506 O GLN A 33 -1.391 -7.306 -0.199 1.00 0.21 O ATOM 507 CB GLN A 33 -3.077 -9.795 0.806 1.00 0.26 C ATOM 508 CG GLN A 33 -3.740 -10.623 1.895 1.00 0.33 C ATOM 509 CD GLN A 33 -4.294 -9.772 3.021 1.00 0.98 C ATOM 510 OE1 GLN A 33 -4.665 -8.617 2.817 1.00 1.75 O ATOM 511 NE2 GLN A 33 -4.356 -10.344 4.218 1.00 1.69 N ATOM 0 H GLN A 33 -2.454 -7.475 2.099 1.00 0.23 H new ATOM 0 HA GLN A 33 -1.089 -10.050 1.513 1.00 0.22 H new ATOM 0 HB2 GLN A 33 -3.743 -8.977 0.530 1.00 0.26 H new ATOM 0 HB3 GLN A 33 -2.950 -10.416 -0.081 1.00 0.26 H new ATOM 0 HG2 GLN A 33 -4.547 -11.211 1.458 1.00 0.33 H new ATOM 0 HG3 GLN A 33 -3.015 -11.329 2.301 1.00 0.33 H new ATOM 0 HE21 GLN A 33 -4.037 -11.305 4.341 1.00 1.69 H new ATOM 0 HE22 GLN A 33 -4.723 -9.822 5.014 1.00 1.69 H new ATOM 520 N TYR A 34 -0.226 -9.147 -0.731 1.00 0.20 N ATOM 521 CA TYR A 34 0.433 -8.478 -1.853 1.00 0.19 C ATOM 522 C TYR A 34 0.970 -9.446 -2.900 1.00 0.18 C ATOM 523 O TYR A 34 0.913 -10.666 -2.739 1.00 0.19 O ATOM 524 CB TYR A 34 1.582 -7.620 -1.327 1.00 0.19 C ATOM 525 CG TYR A 34 2.533 -8.381 -0.434 1.00 0.19 C ATOM 526 CD1 TYR A 34 2.301 -8.480 0.931 1.00 0.31 C ATOM 527 CD2 TYR A 34 3.660 -9.005 -0.954 1.00 0.25 C ATOM 528 CE1 TYR A 34 3.162 -9.176 1.749 1.00 0.32 C ATOM 529 CE2 TYR A 34 4.525 -9.705 -0.140 1.00 0.30 C ATOM 530 CZ TYR A 34 4.272 -9.788 1.211 1.00 0.26 C ATOM 531 OH TYR A 34 5.131 -10.487 2.028 1.00 0.31 O ATOM 0 H TYR A 34 0.033 -10.124 -0.595 1.00 0.20 H new ATOM 0 HA TYR A 34 -0.323 -7.865 -2.343 1.00 0.19 H new ATOM 0 HB2 TYR A 34 2.136 -7.210 -2.171 1.00 0.19 H new ATOM 0 HB3 TYR A 34 1.172 -6.775 -0.774 1.00 0.19 H new ATOM 0 HD1 TYR A 34 1.431 -8.003 1.358 1.00 0.31 H new ATOM 0 HD2 TYR A 34 3.862 -8.941 -2.013 1.00 0.25 H new ATOM 0 HE1 TYR A 34 2.968 -9.242 2.809 1.00 0.32 H new ATOM 0 HE2 TYR A 34 5.396 -10.186 -0.560 1.00 0.30 H new ATOM 0 HH TYR A 34 6.018 -10.070 2.003 1.00 0.31 H new ATOM 541 N LYS A 35 1.497 -8.869 -3.980 1.00 0.18 N ATOM 542 CA LYS A 35 2.080 -9.641 -5.074 1.00 0.20 C ATOM 543 C LYS A 35 3.543 -9.232 -5.269 1.00 0.18 C ATOM 544 O LYS A 35 3.841 -8.082 -5.591 1.00 0.19 O ATOM 545 CB LYS A 35 1.293 -9.404 -6.368 1.00 0.27 C ATOM 546 CG LYS A 35 1.602 -10.410 -7.469 1.00 0.35 C ATOM 547 CD LYS A 35 1.636 -9.752 -8.842 1.00 0.99 C ATOM 548 CE LYS A 35 0.235 -9.490 -9.382 1.00 1.58 C ATOM 549 NZ LYS A 35 -0.491 -8.466 -8.581 1.00 2.15 N ATOM 0 H LYS A 35 1.531 -7.859 -4.120 1.00 0.18 H new ATOM 0 HA LYS A 35 2.032 -10.701 -4.826 1.00 0.20 H new ATOM 0 HB2 LYS A 35 0.227 -9.440 -6.145 1.00 0.27 H new ATOM 0 HB3 LYS A 35 1.509 -8.400 -6.735 1.00 0.27 H new ATOM 0 HG2 LYS A 35 2.563 -10.884 -7.269 1.00 0.35 H new ATOM 0 HG3 LYS A 35 0.850 -11.199 -7.462 1.00 0.35 H new ATOM 0 HD2 LYS A 35 2.183 -8.811 -8.780 1.00 0.99 H new ATOM 0 HD3 LYS A 35 2.179 -10.391 -9.538 1.00 0.99 H new ATOM 0 HE2 LYS A 35 0.302 -9.158 -10.418 1.00 1.58 H new ATOM 0 HE3 LYS A 35 -0.333 -10.420 -9.381 1.00 1.58 H new ATOM 0 HZ1 LYS A 35 -1.227 -8.024 -9.168 1.00 2.15 H new ATOM 0 HZ2 LYS A 35 -0.932 -8.920 -7.756 1.00 2.15 H new ATOM 0 HZ3 LYS A 35 0.179 -7.738 -8.259 1.00 2.15 H new ATOM 563 N VAL A 36 4.447 -10.190 -5.067 1.00 0.19 N ATOM 564 CA VAL A 36 5.886 -9.946 -5.177 1.00 0.19 C ATOM 565 C VAL A 36 6.395 -9.986 -6.616 1.00 0.22 C ATOM 566 O VAL A 36 6.168 -10.954 -7.342 1.00 0.28 O ATOM 567 CB VAL A 36 6.683 -10.968 -4.348 1.00 0.25 C ATOM 568 CG1 VAL A 36 8.172 -10.659 -4.401 1.00 0.26 C ATOM 569 CG2 VAL A 36 6.184 -10.990 -2.913 1.00 0.30 C ATOM 0 H VAL A 36 4.206 -11.151 -4.824 1.00 0.19 H new ATOM 0 HA VAL A 36 6.041 -8.938 -4.791 1.00 0.19 H new ATOM 0 HB VAL A 36 6.530 -11.958 -4.778 1.00 0.25 H new ATOM 0 HG11 VAL A 36 8.717 -11.393 -3.808 1.00 0.26 H new ATOM 0 HG12 VAL A 36 8.515 -10.700 -5.435 1.00 0.26 H new ATOM 0 HG13 VAL A 36 8.351 -9.662 -3.998 1.00 0.26 H new ATOM 0 HG21 VAL A 36 6.758 -11.718 -2.339 1.00 0.30 H new ATOM 0 HG22 VAL A 36 6.306 -10.002 -2.470 1.00 0.30 H new ATOM 0 HG23 VAL A 36 5.130 -11.266 -2.899 1.00 0.30 H new ATOM 579 N ILE A 37 7.087 -8.919 -7.013 1.00 0.22 N ATOM 580 CA ILE A 37 7.659 -8.824 -8.350 1.00 0.26 C ATOM 581 C ILE A 37 9.162 -9.120 -8.320 1.00 0.25 C ATOM 582 O ILE A 37 9.618 -10.100 -8.908 1.00 0.30 O ATOM 583 CB ILE A 37 7.427 -7.430 -8.967 1.00 0.29 C ATOM 584 CG1 ILE A 37 5.928 -7.127 -9.033 1.00 0.31 C ATOM 585 CG2 ILE A 37 8.052 -7.350 -10.354 1.00 0.37 C ATOM 586 CD1 ILE A 37 5.613 -5.709 -9.458 1.00 0.65 C ATOM 0 H ILE A 37 7.264 -8.106 -6.423 1.00 0.22 H new ATOM 0 HA ILE A 37 7.155 -9.567 -8.968 1.00 0.26 H new ATOM 0 HB ILE A 37 7.906 -6.683 -8.334 1.00 0.29 H new ATOM 0 HG12 ILE A 37 5.457 -7.819 -9.731 1.00 0.31 H new ATOM 0 HG13 ILE A 37 5.486 -7.310 -8.054 1.00 0.31 H new ATOM 0 HG21 ILE A 37 7.879 -6.359 -10.775 1.00 0.37 H new ATOM 0 HG22 ILE A 37 9.124 -7.531 -10.281 1.00 0.37 H new ATOM 0 HG23 ILE A 37 7.601 -8.103 -11.000 1.00 0.37 H new ATOM 0 HD11 ILE A 37 4.532 -5.568 -9.482 1.00 0.65 H new ATOM 0 HD12 ILE A 37 6.054 -5.010 -8.748 1.00 0.65 H new ATOM 0 HD13 ILE A 37 6.025 -5.527 -10.451 1.00 0.65 H new ATOM 598 N ASN A 38 9.925 -8.267 -7.633 1.00 0.21 N ATOM 599 CA ASN A 38 11.373 -8.448 -7.525 1.00 0.22 C ATOM 600 C ASN A 38 11.866 -8.083 -6.125 1.00 0.29 C ATOM 601 O ASN A 38 12.275 -6.949 -5.876 1.00 0.44 O ATOM 602 CB ASN A 38 12.092 -7.593 -8.573 1.00 0.31 C ATOM 603 CG ASN A 38 13.601 -7.687 -8.463 1.00 0.40 C ATOM 604 OD1 ASN A 38 14.194 -6.782 -7.692 1.00 1.03 O flip ATOM 605 ND2 ASN A 38 14.227 -8.560 -9.065 1.00 0.56 N flip ATOM 0 H ASN A 38 9.565 -7.447 -7.145 1.00 0.21 H new ATOM 0 HA ASN A 38 11.599 -9.499 -7.705 1.00 0.22 H new ATOM 0 HB2 ASN A 38 11.783 -7.909 -9.569 1.00 0.31 H new ATOM 0 HB3 ASN A 38 11.787 -6.553 -8.460 1.00 0.31 H new ATOM 0 HD21 ASN A 38 13.730 -9.235 -9.646 1.00 0.56 H new ATOM 0 HD22 ASN A 38 15.242 -8.608 -8.982 1.00 0.56 H new ATOM 612 N SER A 39 11.813 -9.049 -5.210 1.00 0.28 N ATOM 613 CA SER A 39 12.247 -8.831 -3.830 1.00 0.37 C ATOM 614 C SER A 39 13.578 -9.519 -3.532 1.00 0.29 C ATOM 615 O SER A 39 13.868 -10.590 -4.064 1.00 0.33 O ATOM 616 CB SER A 39 11.181 -9.333 -2.859 1.00 0.58 C ATOM 617 OG SER A 39 11.564 -9.099 -1.515 1.00 1.50 O ATOM 0 H SER A 39 11.473 -9.992 -5.399 1.00 0.28 H new ATOM 0 HA SER A 39 12.390 -7.758 -3.700 1.00 0.37 H new ATOM 0 HB2 SER A 39 10.234 -8.833 -3.063 1.00 0.58 H new ATOM 0 HB3 SER A 39 11.017 -10.400 -3.013 1.00 0.58 H new ATOM 0 HG SER A 39 10.864 -9.428 -0.913 1.00 1.50 H new ATOM 623 N GLY A 40 14.384 -8.891 -2.675 1.00 0.34 N ATOM 624 CA GLY A 40 15.667 -9.461 -2.297 1.00 0.36 C ATOM 625 C GLY A 40 16.816 -8.965 -3.151 1.00 0.50 C ATOM 626 O GLY A 40 17.188 -9.612 -4.132 1.00 1.09 O ATOM 0 H GLY A 40 14.169 -7.996 -2.236 1.00 0.34 H new ATOM 0 HA2 GLY A 40 15.870 -9.222 -1.253 1.00 0.36 H new ATOM 0 HA3 GLY A 40 15.611 -10.547 -2.371 1.00 0.36 H new ATOM 630 N ASN A 41 17.382 -7.817 -2.785 1.00 0.42 N ATOM 631 CA ASN A 41 18.500 -7.251 -3.535 1.00 0.47 C ATOM 632 C ASN A 41 19.384 -6.371 -2.650 1.00 0.37 C ATOM 633 O ASN A 41 20.507 -6.746 -2.313 1.00 0.36 O ATOM 634 CB ASN A 41 17.996 -6.432 -4.731 1.00 0.60 C ATOM 635 CG ASN A 41 16.573 -6.774 -5.126 1.00 0.82 C ATOM 636 OD1 ASN A 41 15.612 -6.057 -4.552 1.00 1.70 O flip ATOM 637 ND2 ASN A 41 16.338 -7.669 -5.937 1.00 0.66 N flip ATOM 0 H ASN A 41 17.087 -7.264 -1.980 1.00 0.42 H new ATOM 0 HA ASN A 41 19.098 -8.087 -3.898 1.00 0.47 H new ATOM 0 HB2 ASN A 41 18.055 -5.371 -4.488 1.00 0.60 H new ATOM 0 HB3 ASN A 41 18.654 -6.601 -5.583 1.00 0.60 H new ATOM 0 HD21 ASN A 41 17.107 -8.195 -6.354 1.00 0.66 H new ATOM 0 HD22 ASN A 41 15.375 -7.885 -6.193 1.00 0.66 H new ATOM 644 N GLY A 42 18.869 -5.201 -2.281 1.00 0.35 N ATOM 645 CA GLY A 42 19.633 -4.268 -1.467 1.00 0.33 C ATOM 646 C GLY A 42 19.450 -4.447 0.031 1.00 0.33 C ATOM 647 O GLY A 42 18.542 -5.141 0.488 1.00 0.34 O ATOM 0 H GLY A 42 17.934 -4.881 -2.532 1.00 0.35 H new ATOM 0 HA2 GLY A 42 20.691 -4.377 -1.707 1.00 0.33 H new ATOM 0 HA3 GLY A 42 19.348 -3.251 -1.737 1.00 0.33 H new ATOM 651 N VAL A 43 20.337 -3.802 0.782 1.00 0.32 N ATOM 652 CA VAL A 43 20.328 -3.828 2.244 1.00 0.32 C ATOM 653 C VAL A 43 19.480 -2.674 2.780 1.00 0.29 C ATOM 654 O VAL A 43 19.018 -1.844 1.999 1.00 0.28 O ATOM 655 CB VAL A 43 21.762 -3.724 2.810 1.00 0.36 C ATOM 656 CG1 VAL A 43 21.824 -4.230 4.245 1.00 1.36 C ATOM 657 CG2 VAL A 43 22.740 -4.491 1.931 1.00 1.42 C ATOM 0 H VAL A 43 21.092 -3.239 0.390 1.00 0.32 H new ATOM 0 HA VAL A 43 19.899 -4.777 2.564 1.00 0.32 H new ATOM 0 HB VAL A 43 22.047 -2.672 2.812 1.00 0.36 H new ATOM 0 HG11 VAL A 43 22.845 -4.145 4.617 1.00 1.36 H new ATOM 0 HG12 VAL A 43 21.159 -3.634 4.870 1.00 1.36 H new ATOM 0 HG13 VAL A 43 21.512 -5.274 4.276 1.00 1.36 H new ATOM 0 HG21 VAL A 43 23.745 -4.407 2.345 1.00 1.42 H new ATOM 0 HG22 VAL A 43 22.450 -5.541 1.894 1.00 1.42 H new ATOM 0 HG23 VAL A 43 22.727 -4.075 0.923 1.00 1.42 H new ATOM 667 N LYS A 44 19.305 -2.603 4.107 1.00 0.29 N ATOM 668 CA LYS A 44 18.501 -1.544 4.734 1.00 0.28 C ATOM 669 C LYS A 44 18.163 -1.869 6.191 1.00 0.29 C ATOM 670 O LYS A 44 18.148 -3.029 6.604 1.00 0.32 O ATOM 671 CB LYS A 44 17.187 -1.349 3.963 1.00 0.29 C ATOM 672 CG LYS A 44 16.397 -2.635 3.757 1.00 0.39 C ATOM 673 CD LYS A 44 15.441 -2.898 4.910 1.00 1.17 C ATOM 674 CE LYS A 44 14.738 -4.237 4.756 1.00 1.63 C ATOM 675 NZ LYS A 44 15.703 -5.372 4.749 1.00 2.18 N ATOM 0 H LYS A 44 19.710 -3.267 4.767 1.00 0.29 H new ATOM 0 HA LYS A 44 19.099 -0.633 4.708 1.00 0.28 H new ATOM 0 HB2 LYS A 44 16.564 -0.634 4.500 1.00 0.29 H new ATOM 0 HB3 LYS A 44 17.409 -0.911 2.990 1.00 0.29 H new ATOM 0 HG2 LYS A 44 15.835 -2.572 2.825 1.00 0.39 H new ATOM 0 HG3 LYS A 44 17.086 -3.474 3.657 1.00 0.39 H new ATOM 0 HD2 LYS A 44 15.991 -2.881 5.851 1.00 1.17 H new ATOM 0 HD3 LYS A 44 14.700 -2.100 4.959 1.00 1.17 H new ATOM 0 HE2 LYS A 44 14.027 -4.370 5.571 1.00 1.63 H new ATOM 0 HE3 LYS A 44 14.165 -4.242 3.829 1.00 1.63 H new ATOM 0 HZ1 LYS A 44 15.192 -6.263 4.915 1.00 2.18 H new ATOM 0 HZ2 LYS A 44 16.182 -5.414 3.827 1.00 2.18 H new ATOM 0 HZ3 LYS A 44 16.409 -5.232 5.500 1.00 2.18 H new ATOM 689 N PRO A 45 17.890 -0.809 6.981 1.00 0.29 N ATOM 690 CA PRO A 45 17.552 -0.897 8.405 1.00 0.30 C ATOM 691 C PRO A 45 16.124 -1.358 8.666 1.00 0.30 C ATOM 692 O PRO A 45 15.315 -1.489 7.747 1.00 0.29 O ATOM 693 CB PRO A 45 17.740 0.536 8.932 1.00 0.27 C ATOM 694 CG PRO A 45 18.329 1.313 7.802 1.00 0.30 C ATOM 695 CD PRO A 45 17.925 0.596 6.549 1.00 0.30 C ATOM 0 HA PRO A 45 18.181 -1.638 8.897 1.00 0.30 H new ATOM 0 HB2 PRO A 45 16.788 0.965 9.247 1.00 0.27 H new ATOM 0 HB3 PRO A 45 18.398 0.550 9.801 1.00 0.27 H new ATOM 0 HG2 PRO A 45 17.960 2.339 7.800 1.00 0.30 H new ATOM 0 HG3 PRO A 45 19.414 1.365 7.889 1.00 0.30 H new ATOM 0 HD2 PRO A 45 16.954 0.932 6.184 1.00 0.30 H new ATOM 0 HD3 PRO A 45 18.641 0.754 5.742 1.00 0.30 H new ATOM 703 N GLY A 46 15.832 -1.599 9.939 1.00 0.32 N ATOM 704 CA GLY A 46 14.513 -2.035 10.351 1.00 0.35 C ATOM 705 C GLY A 46 13.491 -0.935 10.148 1.00 0.33 C ATOM 706 O GLY A 46 13.808 0.077 9.539 1.00 0.28 O ATOM 0 H GLY A 46 16.499 -1.498 10.704 1.00 0.32 H new ATOM 0 HA2 GLY A 46 14.222 -2.917 9.780 1.00 0.35 H new ATOM 0 HA3 GLY A 46 14.534 -2.328 11.401 1.00 0.35 H new ATOM 710 N LYS A 47 12.262 -1.148 10.615 1.00 0.37 N ATOM 711 CA LYS A 47 11.172 -0.175 10.441 1.00 0.37 C ATOM 712 C LYS A 47 11.606 1.282 10.672 1.00 0.34 C ATOM 713 O LYS A 47 10.879 2.206 10.312 1.00 0.35 O ATOM 714 CB LYS A 47 10.020 -0.514 11.389 1.00 0.44 C ATOM 715 CG LYS A 47 9.350 -1.842 11.077 1.00 0.99 C ATOM 716 CD LYS A 47 8.316 -2.209 12.129 1.00 0.94 C ATOM 717 CE LYS A 47 8.971 -2.586 13.449 1.00 1.85 C ATOM 718 NZ LYS A 47 7.970 -3.026 14.460 1.00 2.35 N ATOM 0 H LYS A 47 11.990 -1.991 11.121 1.00 0.37 H new ATOM 0 HA LYS A 47 10.856 -0.251 9.401 1.00 0.37 H new ATOM 0 HB2 LYS A 47 10.396 -0.537 12.412 1.00 0.44 H new ATOM 0 HB3 LYS A 47 9.275 0.280 11.341 1.00 0.44 H new ATOM 0 HG2 LYS A 47 8.871 -1.788 10.099 1.00 0.99 H new ATOM 0 HG3 LYS A 47 10.105 -2.626 11.019 1.00 0.99 H new ATOM 0 HD2 LYS A 47 7.640 -1.368 12.285 1.00 0.94 H new ATOM 0 HD3 LYS A 47 7.711 -3.042 11.771 1.00 0.94 H new ATOM 0 HE2 LYS A 47 9.693 -3.385 13.281 1.00 1.85 H new ATOM 0 HE3 LYS A 47 9.526 -1.732 13.836 1.00 1.85 H new ATOM 0 HZ1 LYS A 47 8.456 -3.274 15.345 1.00 2.35 H new ATOM 0 HZ2 LYS A 47 7.296 -2.255 14.640 1.00 2.35 H new ATOM 0 HZ3 LYS A 47 7.457 -3.857 14.102 1.00 2.35 H new ATOM 732 N SER A 48 12.778 1.488 11.264 1.00 0.31 N ATOM 733 CA SER A 48 13.288 2.838 11.498 1.00 0.31 C ATOM 734 C SER A 48 14.051 3.337 10.268 1.00 0.27 C ATOM 735 O SER A 48 14.685 4.391 10.297 1.00 0.29 O ATOM 736 CB SER A 48 14.199 2.861 12.728 1.00 0.32 C ATOM 737 OG SER A 48 14.688 4.167 12.977 1.00 1.45 O ATOM 0 H SER A 48 13.392 0.742 11.590 1.00 0.31 H new ATOM 0 HA SER A 48 12.441 3.500 11.680 1.00 0.31 H new ATOM 0 HB2 SER A 48 13.649 2.503 13.598 1.00 0.32 H new ATOM 0 HB3 SER A 48 15.036 2.179 12.577 1.00 0.32 H new ATOM 0 HG SER A 48 14.667 4.688 12.147 1.00 1.45 H new ATOM 743 N ASP A 49 13.977 2.557 9.192 1.00 0.25 N ATOM 744 CA ASP A 49 14.659 2.871 7.938 1.00 0.24 C ATOM 745 C ASP A 49 13.933 3.971 7.171 1.00 0.23 C ATOM 746 O ASP A 49 12.766 4.259 7.433 1.00 0.29 O ATOM 747 CB ASP A 49 14.741 1.617 7.066 1.00 0.26 C ATOM 748 CG ASP A 49 13.379 1.139 6.603 1.00 0.74 C ATOM 749 OD1 ASP A 49 12.805 1.776 5.697 1.00 0.53 O ATOM 750 OD2 ASP A 49 12.888 0.127 7.143 1.00 1.73 O ATOM 0 H ASP A 49 13.442 1.689 9.165 1.00 0.25 H new ATOM 0 HA ASP A 49 15.661 3.224 8.180 1.00 0.24 H new ATOM 0 HB2 ASP A 49 15.364 1.824 6.196 1.00 0.26 H new ATOM 0 HB3 ASP A 49 15.230 0.820 7.627 1.00 0.26 H new ATOM 755 N THR A 50 14.634 4.572 6.217 1.00 0.26 N ATOM 756 CA THR A 50 14.068 5.624 5.381 1.00 0.28 C ATOM 757 C THR A 50 14.211 5.215 3.924 1.00 0.33 C ATOM 758 O THR A 50 15.320 4.961 3.456 1.00 0.44 O ATOM 759 CB THR A 50 14.774 6.975 5.604 1.00 0.36 C ATOM 760 OG1 THR A 50 14.721 7.333 6.990 1.00 0.39 O ATOM 761 CG2 THR A 50 14.126 8.071 4.769 1.00 0.42 C ATOM 0 H THR A 50 15.605 4.346 6.002 1.00 0.26 H new ATOM 0 HA THR A 50 13.019 5.751 5.649 1.00 0.28 H new ATOM 0 HB THR A 50 15.814 6.870 5.294 1.00 0.36 H new ATOM 0 HG1 THR A 50 15.173 8.192 7.124 1.00 0.39 H new ATOM 0 HG21 THR A 50 14.642 9.015 4.944 1.00 0.42 H new ATOM 0 HG22 THR A 50 14.193 7.811 3.713 1.00 0.42 H new ATOM 0 HG23 THR A 50 13.078 8.173 5.052 1.00 0.42 H new ATOM 769 N VAL A 51 13.100 5.154 3.203 1.00 0.29 N ATOM 770 CA VAL A 51 13.144 4.722 1.815 1.00 0.37 C ATOM 771 C VAL A 51 12.568 5.760 0.864 1.00 0.30 C ATOM 772 O VAL A 51 11.579 6.428 1.169 1.00 0.29 O ATOM 773 CB VAL A 51 12.384 3.389 1.630 1.00 0.51 C ATOM 774 CG1 VAL A 51 12.679 2.442 2.782 1.00 0.65 C ATOM 775 CG2 VAL A 51 10.883 3.619 1.505 1.00 0.53 C ATOM 0 H VAL A 51 12.171 5.394 3.550 1.00 0.29 H new ATOM 0 HA VAL A 51 14.197 4.585 1.570 1.00 0.37 H new ATOM 0 HB VAL A 51 12.733 2.934 0.703 1.00 0.51 H new ATOM 0 HG11 VAL A 51 12.135 1.509 2.634 1.00 0.65 H new ATOM 0 HG12 VAL A 51 13.749 2.237 2.819 1.00 0.65 H new ATOM 0 HG13 VAL A 51 12.365 2.901 3.720 1.00 0.65 H new ATOM 0 HG21 VAL A 51 10.378 2.662 1.376 1.00 0.53 H new ATOM 0 HG22 VAL A 51 10.513 4.106 2.407 1.00 0.53 H new ATOM 0 HG23 VAL A 51 10.683 4.254 0.642 1.00 0.53 H new ATOM 785 N THR A 52 13.211 5.895 -0.288 1.00 0.27 N ATOM 786 CA THR A 52 12.747 6.806 -1.316 1.00 0.23 C ATOM 787 C THR A 52 12.290 5.984 -2.508 1.00 0.19 C ATOM 788 O THR A 52 13.074 5.233 -3.088 1.00 0.17 O ATOM 789 CB THR A 52 13.847 7.789 -1.760 1.00 0.26 C ATOM 790 OG1 THR A 52 14.340 8.518 -0.629 1.00 0.32 O ATOM 791 CG2 THR A 52 13.313 8.762 -2.802 1.00 0.26 C ATOM 0 H THR A 52 14.058 5.381 -0.531 1.00 0.27 H new ATOM 0 HA THR A 52 11.928 7.400 -0.909 1.00 0.23 H new ATOM 0 HB THR A 52 14.660 7.214 -2.203 1.00 0.26 H new ATOM 0 HG1 THR A 52 15.040 9.139 -0.920 1.00 0.32 H new ATOM 0 HG21 THR A 52 14.107 9.447 -3.101 1.00 0.26 H new ATOM 0 HG22 THR A 52 12.965 8.207 -3.673 1.00 0.26 H new ATOM 0 HG23 THR A 52 12.484 9.330 -2.379 1.00 0.26 H new ATOM 799 N VAL A 53 11.025 6.123 -2.869 1.00 0.19 N ATOM 800 CA VAL A 53 10.471 5.356 -3.973 1.00 0.18 C ATOM 801 C VAL A 53 9.442 6.159 -4.755 1.00 0.19 C ATOM 802 O VAL A 53 9.124 7.295 -4.410 1.00 0.23 O ATOM 803 CB VAL A 53 9.792 4.066 -3.459 1.00 0.20 C ATOM 804 CG1 VAL A 53 10.702 3.318 -2.499 1.00 0.22 C ATOM 805 CG2 VAL A 53 8.461 4.385 -2.791 1.00 0.24 C ATOM 0 H VAL A 53 10.365 6.756 -2.417 1.00 0.19 H new ATOM 0 HA VAL A 53 11.305 5.105 -4.629 1.00 0.18 H new ATOM 0 HB VAL A 53 9.601 3.423 -4.318 1.00 0.20 H new ATOM 0 HG11 VAL A 53 10.201 2.414 -2.152 1.00 0.22 H new ATOM 0 HG12 VAL A 53 11.626 3.047 -3.010 1.00 0.22 H new ATOM 0 HG13 VAL A 53 10.933 3.955 -1.645 1.00 0.22 H new ATOM 0 HG21 VAL A 53 8.001 3.462 -2.437 1.00 0.24 H new ATOM 0 HG22 VAL A 53 8.629 5.054 -1.947 1.00 0.24 H new ATOM 0 HG23 VAL A 53 7.799 4.867 -3.510 1.00 0.24 H new ATOM 815 N GLU A 54 8.928 5.546 -5.808 1.00 0.18 N ATOM 816 CA GLU A 54 7.908 6.160 -6.641 1.00 0.20 C ATOM 817 C GLU A 54 6.715 5.221 -6.720 1.00 0.20 C ATOM 818 O GLU A 54 6.880 4.028 -6.976 1.00 0.21 O ATOM 819 CB GLU A 54 8.463 6.447 -8.040 1.00 0.24 C ATOM 820 CG GLU A 54 7.468 7.118 -8.975 1.00 1.02 C ATOM 821 CD GLU A 54 6.490 6.136 -9.590 1.00 1.76 C ATOM 822 OE1 GLU A 54 6.908 5.347 -10.463 1.00 2.09 O ATOM 823 OE2 GLU A 54 5.304 6.157 -9.198 1.00 2.40 O ATOM 0 H GLU A 54 9.205 4.612 -6.109 1.00 0.18 H new ATOM 0 HA GLU A 54 7.597 7.109 -6.205 1.00 0.20 H new ATOM 0 HB2 GLU A 54 9.344 7.082 -7.947 1.00 0.24 H new ATOM 0 HB3 GLU A 54 8.792 5.510 -8.488 1.00 0.24 H new ATOM 0 HG2 GLU A 54 6.915 7.879 -8.425 1.00 1.02 H new ATOM 0 HG3 GLU A 54 8.011 7.630 -9.770 1.00 1.02 H new ATOM 830 N TYR A 55 5.514 5.747 -6.504 1.00 0.19 N ATOM 831 CA TYR A 55 4.328 4.905 -6.542 1.00 0.20 C ATOM 832 C TYR A 55 3.133 5.619 -7.137 1.00 0.19 C ATOM 833 O TYR A 55 3.062 6.848 -7.166 1.00 0.21 O ATOM 834 CB TYR A 55 3.968 4.409 -5.137 1.00 0.21 C ATOM 835 CG TYR A 55 3.275 5.440 -4.267 1.00 0.19 C ATOM 836 CD1 TYR A 55 3.973 6.524 -3.747 1.00 0.22 C ATOM 837 CD2 TYR A 55 1.920 5.325 -3.961 1.00 0.20 C ATOM 838 CE1 TYR A 55 3.346 7.461 -2.949 1.00 0.24 C ATOM 839 CE2 TYR A 55 1.284 6.260 -3.163 1.00 0.21 C ATOM 840 CZ TYR A 55 2.002 7.326 -2.660 1.00 0.22 C ATOM 841 OH TYR A 55 1.377 8.258 -1.865 1.00 0.26 O ATOM 0 H TYR A 55 5.339 6.732 -6.305 1.00 0.19 H new ATOM 0 HA TYR A 55 4.572 4.058 -7.183 1.00 0.20 H new ATOM 0 HB2 TYR A 55 3.323 3.535 -5.228 1.00 0.21 H new ATOM 0 HB3 TYR A 55 4.879 4.082 -4.636 1.00 0.21 H new ATOM 0 HD1 TYR A 55 5.024 6.635 -3.971 1.00 0.22 H new ATOM 0 HD2 TYR A 55 1.356 4.492 -4.354 1.00 0.20 H new ATOM 0 HE1 TYR A 55 3.904 8.296 -2.552 1.00 0.24 H new ATOM 0 HE2 TYR A 55 0.233 6.156 -2.936 1.00 0.21 H new ATOM 0 HH TYR A 55 0.433 8.018 -1.760 1.00 0.26 H new ATOM 851 N THR A 56 2.200 4.816 -7.607 1.00 0.18 N ATOM 852 CA THR A 56 0.967 5.312 -8.182 1.00 0.17 C ATOM 853 C THR A 56 -0.197 4.716 -7.416 1.00 0.14 C ATOM 854 O THR A 56 -0.436 3.510 -7.479 1.00 0.15 O ATOM 855 CB THR A 56 0.840 4.941 -9.671 1.00 0.21 C ATOM 856 OG1 THR A 56 1.978 5.422 -10.394 1.00 0.26 O ATOM 857 CG2 THR A 56 -0.430 5.525 -10.270 1.00 0.21 C ATOM 0 H THR A 56 2.276 3.799 -7.601 1.00 0.18 H new ATOM 0 HA THR A 56 0.966 6.400 -8.110 1.00 0.17 H new ATOM 0 HB THR A 56 0.792 3.855 -9.748 1.00 0.21 H new ATOM 0 HG1 THR A 56 1.891 5.181 -11.340 1.00 0.26 H new ATOM 0 HG21 THR A 56 -0.496 5.249 -11.322 1.00 0.21 H new ATOM 0 HG22 THR A 56 -1.297 5.134 -9.737 1.00 0.21 H new ATOM 0 HG23 THR A 56 -0.408 6.611 -10.181 1.00 0.21 H new ATOM 865 N GLY A 57 -0.921 5.555 -6.693 1.00 0.12 N ATOM 866 CA GLY A 57 -2.031 5.061 -5.911 1.00 0.11 C ATOM 867 C GLY A 57 -3.365 5.486 -6.463 1.00 0.10 C ATOM 868 O GLY A 57 -3.502 6.579 -7.012 1.00 0.10 O ATOM 0 H GLY A 57 -0.761 6.561 -6.634 1.00 0.12 H new ATOM 0 HA2 GLY A 57 -1.988 3.972 -5.874 1.00 0.11 H new ATOM 0 HA3 GLY A 57 -1.936 5.419 -4.886 1.00 0.11 H new ATOM 872 N ARG A 58 -4.349 4.615 -6.323 1.00 0.12 N ATOM 873 CA ARG A 58 -5.688 4.909 -6.800 1.00 0.13 C ATOM 874 C ARG A 58 -6.725 4.238 -5.916 1.00 0.15 C ATOM 875 O ARG A 58 -6.504 3.144 -5.396 1.00 0.19 O ATOM 876 CB ARG A 58 -5.845 4.447 -8.251 1.00 0.18 C ATOM 877 CG ARG A 58 -5.624 2.955 -8.452 1.00 0.90 C ATOM 878 CD ARG A 58 -6.928 2.178 -8.356 1.00 0.40 C ATOM 879 NE ARG A 58 -6.732 0.753 -8.609 1.00 1.00 N ATOM 880 CZ ARG A 58 -7.724 -0.091 -8.878 1.00 0.99 C ATOM 881 NH1 ARG A 58 -8.976 0.345 -8.924 1.00 0.89 N ATOM 882 NH2 ARG A 58 -7.465 -1.373 -9.099 1.00 1.93 N ATOM 0 H ARG A 58 -4.246 3.700 -5.884 1.00 0.12 H new ATOM 0 HA ARG A 58 -5.844 5.987 -6.758 1.00 0.13 H new ATOM 0 HB2 ARG A 58 -6.845 4.706 -8.598 1.00 0.18 H new ATOM 0 HB3 ARG A 58 -5.139 4.996 -8.875 1.00 0.18 H new ATOM 0 HG2 ARG A 58 -5.168 2.782 -9.427 1.00 0.90 H new ATOM 0 HG3 ARG A 58 -4.924 2.586 -7.702 1.00 0.90 H new ATOM 0 HD2 ARG A 58 -7.360 2.315 -7.365 1.00 0.40 H new ATOM 0 HD3 ARG A 58 -7.644 2.579 -9.074 1.00 0.40 H new ATOM 0 HE ARG A 58 -5.781 0.385 -8.578 1.00 1.00 H new ATOM 0 HH11 ARG A 58 -9.180 1.330 -8.753 1.00 0.89 H new ATOM 0 HH12 ARG A 58 -9.735 -0.304 -9.131 1.00 0.89 H new ATOM 0 HH21 ARG A 58 -6.504 -1.713 -9.063 1.00 1.93 H new ATOM 0 HH22 ARG A 58 -8.227 -2.019 -9.305 1.00 1.93 H new ATOM 896 N LEU A 59 -7.866 4.892 -5.770 1.00 0.16 N ATOM 897 CA LEU A 59 -8.953 4.365 -4.962 1.00 0.19 C ATOM 898 C LEU A 59 -9.662 3.255 -5.715 1.00 0.20 C ATOM 899 O LEU A 59 -9.540 3.157 -6.936 1.00 0.22 O ATOM 900 CB LEU A 59 -9.933 5.490 -4.622 1.00 0.22 C ATOM 901 CG LEU A 59 -11.078 5.112 -3.681 1.00 0.78 C ATOM 902 CD1 LEU A 59 -10.540 4.735 -2.309 1.00 1.21 C ATOM 903 CD2 LEU A 59 -12.069 6.260 -3.573 1.00 1.07 C ATOM 0 H LEU A 59 -8.064 5.794 -6.203 1.00 0.16 H new ATOM 0 HA LEU A 59 -8.551 3.956 -4.035 1.00 0.19 H new ATOM 0 HB2 LEU A 59 -9.374 6.310 -4.172 1.00 0.22 H new ATOM 0 HB3 LEU A 59 -10.360 5.867 -5.551 1.00 0.22 H new ATOM 0 HG LEU A 59 -11.596 4.245 -4.092 1.00 0.78 H new ATOM 0 HD11 LEU A 59 -11.369 4.469 -1.653 1.00 1.21 H new ATOM 0 HD12 LEU A 59 -9.865 3.884 -2.404 1.00 1.21 H new ATOM 0 HD13 LEU A 59 -9.999 5.581 -1.885 1.00 1.21 H new ATOM 0 HD21 LEU A 59 -12.879 5.979 -2.901 1.00 1.07 H new ATOM 0 HD22 LEU A 59 -11.562 7.142 -3.182 1.00 1.07 H new ATOM 0 HD23 LEU A 59 -12.477 6.483 -4.559 1.00 1.07 H new ATOM 915 N ILE A 60 -10.393 2.414 -4.991 1.00 0.25 N ATOM 916 CA ILE A 60 -11.128 1.323 -5.617 1.00 0.28 C ATOM 917 C ILE A 60 -12.070 1.876 -6.682 1.00 0.29 C ATOM 918 O ILE A 60 -12.639 1.132 -7.479 1.00 0.32 O ATOM 919 CB ILE A 60 -11.935 0.510 -4.580 1.00 0.34 C ATOM 920 CG1 ILE A 60 -12.552 -0.737 -5.227 1.00 0.64 C ATOM 921 CG2 ILE A 60 -13.016 1.377 -3.950 1.00 0.61 C ATOM 922 CD1 ILE A 60 -11.533 -1.677 -5.835 1.00 0.52 C ATOM 0 H ILE A 60 -10.492 2.467 -3.977 1.00 0.25 H new ATOM 0 HA ILE A 60 -10.401 0.654 -6.078 1.00 0.28 H new ATOM 0 HB ILE A 60 -11.253 0.183 -3.795 1.00 0.34 H new ATOM 0 HG12 ILE A 60 -13.128 -1.277 -4.476 1.00 0.64 H new ATOM 0 HG13 ILE A 60 -13.252 -0.424 -6.002 1.00 0.64 H new ATOM 0 HG21 ILE A 60 -13.575 0.789 -3.222 1.00 0.61 H new ATOM 0 HG22 ILE A 60 -12.554 2.229 -3.451 1.00 0.61 H new ATOM 0 HG23 ILE A 60 -13.694 1.734 -4.725 1.00 0.61 H new ATOM 0 HD11 ILE A 60 -12.044 -2.534 -6.273 1.00 0.52 H new ATOM 0 HD12 ILE A 60 -10.973 -1.154 -6.610 1.00 0.52 H new ATOM 0 HD13 ILE A 60 -10.847 -2.020 -5.061 1.00 0.52 H new ATOM 934 N ASP A 61 -12.214 3.199 -6.687 1.00 0.30 N ATOM 935 CA ASP A 61 -13.078 3.872 -7.649 1.00 0.36 C ATOM 936 C ASP A 61 -12.537 3.717 -9.066 1.00 0.36 C ATOM 937 O ASP A 61 -13.231 4.010 -10.040 1.00 0.42 O ATOM 938 CB ASP A 61 -13.211 5.356 -7.298 1.00 0.40 C ATOM 939 CG ASP A 61 -14.212 6.072 -8.184 1.00 1.07 C ATOM 940 OD1 ASP A 61 -15.414 6.067 -7.848 1.00 0.95 O ATOM 941 OD2 ASP A 61 -13.793 6.637 -9.216 1.00 2.01 O ATOM 0 H ASP A 61 -11.742 3.825 -6.034 1.00 0.30 H new ATOM 0 HA ASP A 61 -14.063 3.407 -7.603 1.00 0.36 H new ATOM 0 HB2 ASP A 61 -13.516 5.454 -6.256 1.00 0.40 H new ATOM 0 HB3 ASP A 61 -12.238 5.837 -7.392 1.00 0.40 H new ATOM 946 N GLY A 62 -11.294 3.251 -9.177 1.00 0.31 N ATOM 947 CA GLY A 62 -10.690 3.063 -10.483 1.00 0.37 C ATOM 948 C GLY A 62 -9.931 4.282 -10.975 1.00 0.38 C ATOM 949 O GLY A 62 -9.357 4.257 -12.063 1.00 0.45 O ATOM 0 H GLY A 62 -10.698 3.002 -8.388 1.00 0.31 H new ATOM 0 HA2 GLY A 62 -10.010 2.212 -10.442 1.00 0.37 H new ATOM 0 HA3 GLY A 62 -11.469 2.814 -11.203 1.00 0.37 H new ATOM 953 N THR A 63 -9.925 5.350 -10.180 1.00 0.33 N ATOM 954 CA THR A 63 -9.244 6.577 -10.569 1.00 0.37 C ATOM 955 C THR A 63 -8.132 6.923 -9.591 1.00 0.31 C ATOM 956 O THR A 63 -8.266 6.729 -8.382 1.00 0.30 O ATOM 957 CB THR A 63 -10.226 7.760 -10.650 1.00 0.44 C ATOM 958 OG1 THR A 63 -9.520 8.960 -10.985 1.00 1.40 O ATOM 959 CG2 THR A 63 -10.959 7.948 -9.330 1.00 1.28 C ATOM 0 H THR A 63 -10.382 5.388 -9.269 1.00 0.33 H new ATOM 0 HA THR A 63 -8.814 6.401 -11.555 1.00 0.37 H new ATOM 0 HB THR A 63 -10.960 7.542 -11.426 1.00 0.44 H new ATOM 0 HG1 THR A 63 -10.152 9.708 -11.036 1.00 1.40 H new ATOM 0 HG21 THR A 63 -11.647 8.790 -9.412 1.00 1.28 H new ATOM 0 HG22 THR A 63 -11.519 7.043 -9.093 1.00 1.28 H new ATOM 0 HG23 THR A 63 -10.237 8.146 -8.538 1.00 1.28 H new ATOM 967 N VAL A 64 -7.032 7.437 -10.125 1.00 0.28 N ATOM 968 CA VAL A 64 -5.896 7.821 -9.314 1.00 0.22 C ATOM 969 C VAL A 64 -6.265 8.986 -8.415 1.00 0.20 C ATOM 970 O VAL A 64 -6.880 9.958 -8.856 1.00 0.23 O ATOM 971 CB VAL A 64 -4.686 8.207 -10.192 1.00 0.22 C ATOM 972 CG1 VAL A 64 -5.058 9.312 -11.171 1.00 0.25 C ATOM 973 CG2 VAL A 64 -3.504 8.628 -9.331 1.00 0.18 C ATOM 0 H VAL A 64 -6.907 7.597 -11.125 1.00 0.28 H new ATOM 0 HA VAL A 64 -5.617 6.963 -8.702 1.00 0.22 H new ATOM 0 HB VAL A 64 -4.393 7.328 -10.766 1.00 0.22 H new ATOM 0 HG11 VAL A 64 -4.190 9.567 -11.779 1.00 0.25 H new ATOM 0 HG12 VAL A 64 -5.865 8.968 -11.818 1.00 0.25 H new ATOM 0 HG13 VAL A 64 -5.386 10.193 -10.618 1.00 0.25 H new ATOM 0 HG21 VAL A 64 -2.664 8.895 -9.972 1.00 0.18 H new ATOM 0 HG22 VAL A 64 -3.785 9.488 -8.723 1.00 0.18 H new ATOM 0 HG23 VAL A 64 -3.216 7.803 -8.680 1.00 0.18 H new ATOM 983 N PHE A 65 -5.896 8.881 -7.150 1.00 0.18 N ATOM 984 CA PHE A 65 -6.186 9.934 -6.191 1.00 0.20 C ATOM 985 C PHE A 65 -4.972 10.846 -6.014 1.00 0.20 C ATOM 986 O PHE A 65 -5.103 12.000 -5.605 1.00 0.24 O ATOM 987 CB PHE A 65 -6.646 9.333 -4.844 1.00 0.21 C ATOM 988 CG PHE A 65 -5.657 8.434 -4.132 1.00 0.17 C ATOM 989 CD1 PHE A 65 -4.407 8.145 -4.657 1.00 0.15 C ATOM 990 CD2 PHE A 65 -5.991 7.891 -2.905 1.00 0.18 C ATOM 991 CE1 PHE A 65 -3.516 7.345 -3.978 1.00 0.15 C ATOM 992 CE2 PHE A 65 -5.104 7.082 -2.226 1.00 0.18 C ATOM 993 CZ PHE A 65 -3.862 6.809 -2.762 1.00 0.17 C ATOM 0 H PHE A 65 -5.396 8.080 -6.763 1.00 0.18 H new ATOM 0 HA PHE A 65 -7.005 10.542 -6.577 1.00 0.20 H new ATOM 0 HB2 PHE A 65 -6.904 10.154 -4.175 1.00 0.21 H new ATOM 0 HB3 PHE A 65 -7.560 8.765 -5.018 1.00 0.21 H new ATOM 0 HD1 PHE A 65 -4.127 8.555 -5.616 1.00 0.15 H new ATOM 0 HD2 PHE A 65 -6.958 8.103 -2.473 1.00 0.18 H new ATOM 0 HE1 PHE A 65 -2.544 7.139 -4.402 1.00 0.15 H new ATOM 0 HE2 PHE A 65 -5.382 6.661 -1.271 1.00 0.18 H new ATOM 0 HZ PHE A 65 -3.167 6.178 -2.229 1.00 0.17 H new ATOM 1003 N ASP A 66 -3.792 10.314 -6.333 1.00 0.18 N ATOM 1004 CA ASP A 66 -2.550 11.060 -6.231 1.00 0.19 C ATOM 1005 C ASP A 66 -1.378 10.220 -6.733 1.00 0.17 C ATOM 1006 O ASP A 66 -1.227 9.060 -6.349 1.00 0.18 O ATOM 1007 CB ASP A 66 -2.299 11.504 -4.788 1.00 0.25 C ATOM 1008 CG ASP A 66 -1.009 12.286 -4.640 1.00 0.27 C ATOM 1009 OD1 ASP A 66 -1.015 13.501 -4.929 1.00 0.30 O ATOM 1010 OD2 ASP A 66 0.007 11.684 -4.233 1.00 0.30 O ATOM 0 H ASP A 66 -3.676 9.357 -6.667 1.00 0.18 H new ATOM 0 HA ASP A 66 -2.638 11.949 -6.856 1.00 0.19 H new ATOM 0 HB2 ASP A 66 -3.134 12.118 -4.449 1.00 0.25 H new ATOM 0 HB3 ASP A 66 -2.265 10.627 -4.142 1.00 0.25 H new ATOM 1015 N SER A 67 -0.554 10.808 -7.589 1.00 0.17 N ATOM 1016 CA SER A 67 0.607 10.109 -8.132 1.00 0.19 C ATOM 1017 C SER A 67 1.872 10.949 -7.977 1.00 0.18 C ATOM 1018 O SER A 67 1.931 12.087 -8.444 1.00 0.22 O ATOM 1019 CB SER A 67 0.380 9.769 -9.607 1.00 0.25 C ATOM 1020 OG SER A 67 0.094 10.934 -10.363 1.00 1.30 O ATOM 0 H SER A 67 -0.666 11.765 -7.923 1.00 0.17 H new ATOM 0 HA SER A 67 0.739 9.184 -7.570 1.00 0.19 H new ATOM 0 HB2 SER A 67 1.266 9.279 -10.011 1.00 0.25 H new ATOM 0 HB3 SER A 67 -0.445 9.062 -9.697 1.00 0.25 H new ATOM 0 HG SER A 67 0.578 11.697 -9.984 1.00 1.30 H new ATOM 1026 N THR A 68 2.882 10.384 -7.316 1.00 0.19 N ATOM 1027 CA THR A 68 4.141 11.093 -7.104 1.00 0.21 C ATOM 1028 C THR A 68 5.002 11.060 -8.361 1.00 0.28 C ATOM 1029 O THR A 68 5.972 11.809 -8.483 1.00 0.34 O ATOM 1030 CB THR A 68 4.938 10.500 -5.925 1.00 0.20 C ATOM 1031 OG1 THR A 68 5.344 9.160 -6.229 1.00 0.27 O ATOM 1032 CG2 THR A 68 4.098 10.504 -4.656 1.00 0.28 C ATOM 0 H THR A 68 2.853 9.444 -6.921 1.00 0.19 H new ATOM 0 HA THR A 68 3.886 12.126 -6.866 1.00 0.21 H new ATOM 0 HB THR A 68 5.822 11.117 -5.764 1.00 0.20 H new ATOM 0 HG1 THR A 68 6.257 9.013 -5.905 1.00 0.27 H new ATOM 0 HG21 THR A 68 4.677 10.082 -3.835 1.00 0.28 H new ATOM 0 HG22 THR A 68 3.814 11.527 -4.411 1.00 0.28 H new ATOM 0 HG23 THR A 68 3.200 9.906 -4.812 1.00 0.28 H new ATOM 1040 N GLU A 69 4.640 10.186 -9.293 1.00 0.42 N ATOM 1041 CA GLU A 69 5.372 10.052 -10.547 1.00 0.56 C ATOM 1042 C GLU A 69 5.054 11.215 -11.481 1.00 0.66 C ATOM 1043 O GLU A 69 5.957 11.878 -11.992 1.00 0.75 O ATOM 1044 CB GLU A 69 5.017 8.726 -11.224 1.00 0.75 C ATOM 1045 CG GLU A 69 5.989 8.314 -12.320 1.00 1.17 C ATOM 1046 CD GLU A 69 5.876 9.175 -13.564 1.00 1.66 C ATOM 1047 OE1 GLU A 69 4.926 8.964 -14.347 1.00 2.05 O ATOM 1048 OE2 GLU A 69 6.738 10.056 -13.757 1.00 2.11 O ATOM 0 H GLU A 69 3.841 9.558 -9.203 1.00 0.42 H new ATOM 0 HA GLU A 69 6.439 10.065 -10.326 1.00 0.56 H new ATOM 0 HB2 GLU A 69 4.983 7.941 -10.468 1.00 0.75 H new ATOM 0 HB3 GLU A 69 4.016 8.803 -11.649 1.00 0.75 H new ATOM 0 HG2 GLU A 69 7.007 8.372 -11.936 1.00 1.17 H new ATOM 0 HG3 GLU A 69 5.807 7.273 -12.587 1.00 1.17 H new ATOM 1055 N LYS A 70 3.764 11.456 -11.695 1.00 0.69 N ATOM 1056 CA LYS A 70 3.323 12.534 -12.572 1.00 0.84 C ATOM 1057 C LYS A 70 3.801 13.886 -12.055 1.00 0.85 C ATOM 1058 O LYS A 70 4.150 14.770 -12.838 1.00 1.01 O ATOM 1059 CB LYS A 70 1.799 12.534 -12.698 1.00 0.91 C ATOM 1060 CG LYS A 70 1.276 13.521 -13.731 1.00 1.63 C ATOM 1061 CD LYS A 70 -0.237 13.649 -13.668 1.00 1.87 C ATOM 1062 CE LYS A 70 -0.668 14.727 -12.684 1.00 2.76 C ATOM 1063 NZ LYS A 70 -0.198 14.442 -11.300 1.00 3.41 N ATOM 0 H LYS A 70 3.006 10.919 -11.273 1.00 0.69 H new ATOM 0 HA LYS A 70 3.759 12.365 -13.556 1.00 0.84 H new ATOM 0 HB2 LYS A 70 1.464 11.531 -12.963 1.00 0.91 H new ATOM 0 HB3 LYS A 70 1.362 12.770 -11.728 1.00 0.91 H new ATOM 0 HG2 LYS A 70 1.731 14.497 -13.565 1.00 1.63 H new ATOM 0 HG3 LYS A 70 1.573 13.196 -14.728 1.00 1.63 H new ATOM 0 HD2 LYS A 70 -0.624 13.885 -14.659 1.00 1.87 H new ATOM 0 HD3 LYS A 70 -0.672 12.693 -13.375 1.00 1.87 H new ATOM 0 HE2 LYS A 70 -0.276 15.691 -13.008 1.00 2.76 H new ATOM 0 HE3 LYS A 70 -1.755 14.807 -12.688 1.00 2.76 H new ATOM 0 HZ1 LYS A 70 -0.749 15.008 -10.623 1.00 3.41 H new ATOM 0 HZ2 LYS A 70 -0.326 13.431 -11.091 1.00 3.41 H new ATOM 0 HZ3 LYS A 70 0.809 14.688 -11.218 1.00 3.41 H new ATOM 1077 N THR A 71 3.809 14.040 -10.736 1.00 0.73 N ATOM 1078 CA THR A 71 4.247 15.284 -10.115 1.00 0.82 C ATOM 1079 C THR A 71 5.677 15.620 -10.528 1.00 0.82 C ATOM 1080 O THR A 71 6.109 16.769 -10.439 1.00 0.97 O ATOM 1081 CB THR A 71 4.171 15.200 -8.578 1.00 0.76 C ATOM 1082 OG1 THR A 71 2.851 14.815 -8.174 1.00 1.25 O ATOM 1083 CG2 THR A 71 4.529 16.534 -7.939 1.00 1.47 C ATOM 0 H THR A 71 3.517 13.319 -10.076 1.00 0.73 H new ATOM 0 HA THR A 71 3.575 16.071 -10.459 1.00 0.82 H new ATOM 0 HB THR A 71 4.890 14.452 -8.244 1.00 0.76 H new ATOM 0 HG1 THR A 71 2.729 13.855 -8.328 1.00 1.25 H new ATOM 0 HG21 THR A 71 4.467 16.446 -6.854 1.00 1.47 H new ATOM 0 HG22 THR A 71 5.544 16.813 -8.223 1.00 1.47 H new ATOM 0 HG23 THR A 71 3.833 17.300 -8.281 1.00 1.47 H new ATOM 1091 N GLY A 72 6.401 14.605 -10.991 1.00 0.69 N ATOM 1092 CA GLY A 72 7.775 14.802 -11.408 1.00 0.70 C ATOM 1093 C GLY A 72 8.732 14.781 -10.236 1.00 0.60 C ATOM 1094 O GLY A 72 9.928 15.025 -10.396 1.00 0.60 O ATOM 0 H GLY A 72 6.059 13.649 -11.084 1.00 0.69 H new ATOM 0 HA2 GLY A 72 8.054 14.023 -12.118 1.00 0.70 H new ATOM 0 HA3 GLY A 72 7.862 15.755 -11.930 1.00 0.70 H new ATOM 1098 N LYS A 73 8.199 14.491 -9.052 1.00 0.54 N ATOM 1099 CA LYS A 73 9.009 14.442 -7.843 1.00 0.49 C ATOM 1100 C LYS A 73 8.833 13.107 -7.122 1.00 0.40 C ATOM 1101 O LYS A 73 7.732 12.777 -6.679 1.00 0.43 O ATOM 1102 CB LYS A 73 8.632 15.592 -6.907 1.00 0.60 C ATOM 1103 CG LYS A 73 9.007 16.962 -7.445 1.00 1.47 C ATOM 1104 CD LYS A 73 10.514 17.147 -7.507 1.00 1.89 C ATOM 1105 CE LYS A 73 10.883 18.530 -8.019 1.00 2.37 C ATOM 1106 NZ LYS A 73 10.297 18.801 -9.362 1.00 3.05 N ATOM 0 H LYS A 73 7.210 14.287 -8.906 1.00 0.54 H new ATOM 0 HA LYS A 73 10.055 14.543 -8.132 1.00 0.49 H new ATOM 0 HB2 LYS A 73 7.558 15.564 -6.725 1.00 0.60 H new ATOM 0 HB3 LYS A 73 9.122 15.442 -5.945 1.00 0.60 H new ATOM 0 HG2 LYS A 73 8.583 17.091 -8.441 1.00 1.47 H new ATOM 0 HG3 LYS A 73 8.571 17.734 -6.811 1.00 1.47 H new ATOM 0 HD2 LYS A 73 10.941 16.999 -6.515 1.00 1.89 H new ATOM 0 HD3 LYS A 73 10.949 16.389 -8.158 1.00 1.89 H new ATOM 0 HE2 LYS A 73 10.535 19.283 -7.312 1.00 2.37 H new ATOM 0 HE3 LYS A 73 11.968 18.620 -8.072 1.00 2.37 H new ATOM 0 HZ1 LYS A 73 10.742 19.647 -9.771 1.00 3.05 H new ATOM 0 HZ2 LYS A 73 10.466 17.986 -9.985 1.00 3.05 H new ATOM 0 HZ3 LYS A 73 9.273 18.959 -9.269 1.00 3.05 H new ATOM 1120 N PRO A 74 9.918 12.319 -6.995 1.00 0.33 N ATOM 1121 CA PRO A 74 9.871 11.021 -6.314 1.00 0.29 C ATOM 1122 C PRO A 74 9.276 11.130 -4.916 1.00 0.24 C ATOM 1123 O PRO A 74 9.299 12.199 -4.305 1.00 0.27 O ATOM 1124 CB PRO A 74 11.342 10.607 -6.230 1.00 0.33 C ATOM 1125 CG PRO A 74 12.013 11.333 -7.342 1.00 0.51 C ATOM 1126 CD PRO A 74 11.266 12.628 -7.507 1.00 0.38 C ATOM 0 HA PRO A 74 9.243 10.305 -6.844 1.00 0.29 H new ATOM 0 HB2 PRO A 74 11.773 10.877 -5.266 1.00 0.33 H new ATOM 0 HB3 PRO A 74 11.455 9.528 -6.339 1.00 0.33 H new ATOM 0 HG2 PRO A 74 13.062 11.515 -7.111 1.00 0.51 H new ATOM 0 HG3 PRO A 74 11.986 10.748 -8.261 1.00 0.51 H new ATOM 0 HD2 PRO A 74 11.734 13.435 -6.943 1.00 0.38 H new ATOM 0 HD3 PRO A 74 11.236 12.943 -8.550 1.00 0.38 H new ATOM 1134 N ALA A 75 8.751 10.022 -4.410 1.00 0.21 N ATOM 1135 CA ALA A 75 8.160 10.003 -3.080 1.00 0.19 C ATOM 1136 C ALA A 75 9.183 9.550 -2.045 1.00 0.18 C ATOM 1137 O ALA A 75 9.773 8.480 -2.175 1.00 0.19 O ATOM 1138 CB ALA A 75 6.939 9.099 -3.051 1.00 0.23 C ATOM 0 H ALA A 75 8.723 9.127 -4.899 1.00 0.21 H new ATOM 0 HA ALA A 75 7.845 11.016 -2.831 1.00 0.19 H new ATOM 0 HB1 ALA A 75 6.511 9.098 -2.049 1.00 0.23 H new ATOM 0 HB2 ALA A 75 6.198 9.465 -3.761 1.00 0.23 H new ATOM 0 HB3 ALA A 75 7.231 8.084 -3.322 1.00 0.23 H new ATOM 1144 N THR A 76 9.393 10.368 -1.020 1.00 0.18 N ATOM 1145 CA THR A 76 10.354 10.043 0.028 1.00 0.18 C ATOM 1146 C THR A 76 9.725 10.146 1.411 1.00 0.21 C ATOM 1147 O THR A 76 9.276 11.214 1.829 1.00 0.26 O ATOM 1148 CB THR A 76 11.593 10.956 -0.041 1.00 0.21 C ATOM 1149 OG1 THR A 76 12.432 10.728 1.098 1.00 1.15 O ATOM 1150 CG2 THR A 76 11.192 12.424 -0.097 1.00 1.26 C ATOM 0 H THR A 76 8.912 11.259 -0.892 1.00 0.18 H new ATOM 0 HA THR A 76 10.666 9.012 -0.141 1.00 0.18 H new ATOM 0 HB THR A 76 12.140 10.715 -0.952 1.00 0.21 H new ATOM 0 HG1 THR A 76 13.218 11.311 1.047 1.00 1.15 H new ATOM 0 HG21 THR A 76 12.087 13.044 -0.145 1.00 1.26 H new ATOM 0 HG22 THR A 76 10.580 12.601 -0.982 1.00 1.26 H new ATOM 0 HG23 THR A 76 10.621 12.680 0.796 1.00 1.26 H new ATOM 1158 N PHE A 77 9.693 9.021 2.113 1.00 0.20 N ATOM 1159 CA PHE A 77 9.118 8.965 3.452 1.00 0.26 C ATOM 1160 C PHE A 77 9.659 7.770 4.226 1.00 0.26 C ATOM 1161 O PHE A 77 10.281 6.877 3.651 1.00 0.29 O ATOM 1162 CB PHE A 77 7.596 8.861 3.360 1.00 0.28 C ATOM 1163 CG PHE A 77 7.136 7.655 2.592 1.00 0.26 C ATOM 1164 CD1 PHE A 77 6.985 7.717 1.216 1.00 0.25 C ATOM 1165 CD2 PHE A 77 6.863 6.458 3.241 1.00 0.32 C ATOM 1166 CE1 PHE A 77 6.572 6.612 0.501 1.00 0.29 C ATOM 1167 CE2 PHE A 77 6.447 5.349 2.529 1.00 0.36 C ATOM 1168 CZ PHE A 77 6.302 5.427 1.156 1.00 0.34 C ATOM 0 H PHE A 77 10.060 8.131 1.776 1.00 0.20 H new ATOM 0 HA PHE A 77 9.394 9.878 3.979 1.00 0.26 H new ATOM 0 HB2 PHE A 77 7.178 8.825 4.366 1.00 0.28 H new ATOM 0 HB3 PHE A 77 7.204 9.760 2.884 1.00 0.28 H new ATOM 0 HD1 PHE A 77 7.193 8.641 0.697 1.00 0.25 H new ATOM 0 HD2 PHE A 77 6.977 6.393 4.313 1.00 0.32 H new ATOM 0 HE1 PHE A 77 6.460 6.674 -0.571 1.00 0.29 H new ATOM 0 HE2 PHE A 77 6.236 4.423 3.044 1.00 0.36 H new ATOM 0 HZ PHE A 77 5.978 4.562 0.597 1.00 0.34 H new ATOM 1178 N GLN A 78 9.419 7.760 5.531 1.00 0.30 N ATOM 1179 CA GLN A 78 9.857 6.657 6.376 1.00 0.36 C ATOM 1180 C GLN A 78 8.807 5.549 6.344 1.00 0.31 C ATOM 1181 O GLN A 78 7.611 5.821 6.262 1.00 0.35 O ATOM 1182 CB GLN A 78 10.071 7.133 7.811 1.00 0.52 C ATOM 1183 CG GLN A 78 10.957 6.211 8.624 1.00 1.03 C ATOM 1184 CD GLN A 78 10.813 6.430 10.114 1.00 1.02 C ATOM 1185 OE1 GLN A 78 9.814 5.788 10.700 1.00 1.58 O flip ATOM 1186 NE2 GLN A 78 11.578 7.176 10.725 1.00 1.00 N flip ATOM 0 H GLN A 78 8.924 8.502 6.026 1.00 0.30 H new ATOM 0 HA GLN A 78 10.805 6.274 5.997 1.00 0.36 H new ATOM 0 HB2 GLN A 78 10.514 8.129 7.794 1.00 0.52 H new ATOM 0 HB3 GLN A 78 9.103 7.223 8.304 1.00 0.52 H new ATOM 0 HG2 GLN A 78 10.712 5.176 8.387 1.00 1.03 H new ATOM 0 HG3 GLN A 78 11.997 6.366 8.337 1.00 1.03 H new ATOM 0 HE21 GLN A 78 12.334 7.649 10.229 1.00 1.00 H new ATOM 0 HE22 GLN A 78 11.456 7.321 11.727 1.00 1.00 H new ATOM 1195 N VAL A 79 9.259 4.304 6.424 1.00 0.30 N ATOM 1196 CA VAL A 79 8.359 3.157 6.368 1.00 0.31 C ATOM 1197 C VAL A 79 7.458 3.043 7.598 1.00 0.32 C ATOM 1198 O VAL A 79 6.371 2.474 7.519 1.00 0.42 O ATOM 1199 CB VAL A 79 9.145 1.845 6.198 1.00 0.36 C ATOM 1200 CG1 VAL A 79 9.901 1.846 4.878 1.00 1.07 C ATOM 1201 CG2 VAL A 79 10.099 1.635 7.364 1.00 0.90 C ATOM 0 H VAL A 79 10.244 4.062 6.528 1.00 0.30 H new ATOM 0 HA VAL A 79 7.721 3.324 5.500 1.00 0.31 H new ATOM 0 HB VAL A 79 8.435 1.018 6.187 1.00 0.36 H new ATOM 0 HG11 VAL A 79 10.452 0.911 4.773 1.00 1.07 H new ATOM 0 HG12 VAL A 79 9.194 1.945 4.054 1.00 1.07 H new ATOM 0 HG13 VAL A 79 10.600 2.683 4.859 1.00 1.07 H new ATOM 0 HG21 VAL A 79 10.645 0.702 7.224 1.00 0.90 H new ATOM 0 HG22 VAL A 79 10.805 2.465 7.411 1.00 0.90 H new ATOM 0 HG23 VAL A 79 9.532 1.588 8.294 1.00 0.90 H new ATOM 1211 N SER A 80 7.906 3.570 8.735 1.00 0.30 N ATOM 1212 CA SER A 80 7.114 3.496 9.963 1.00 0.36 C ATOM 1213 C SER A 80 6.284 4.762 10.185 1.00 0.34 C ATOM 1214 O SER A 80 5.505 4.838 11.136 1.00 0.42 O ATOM 1215 CB SER A 80 8.020 3.243 11.169 1.00 0.46 C ATOM 1216 OG SER A 80 7.281 3.275 12.379 1.00 1.14 O ATOM 0 H SER A 80 8.802 4.048 8.833 1.00 0.30 H new ATOM 0 HA SER A 80 6.422 2.661 9.853 1.00 0.36 H new ATOM 0 HB2 SER A 80 8.509 2.275 11.064 1.00 0.46 H new ATOM 0 HB3 SER A 80 8.808 3.996 11.200 1.00 0.46 H new ATOM 0 HG SER A 80 6.504 3.863 12.273 1.00 1.14 H new ATOM 1222 N GLN A 81 6.450 5.749 9.310 1.00 0.31 N ATOM 1223 CA GLN A 81 5.708 7.005 9.429 1.00 0.36 C ATOM 1224 C GLN A 81 4.329 6.911 8.779 1.00 0.32 C ATOM 1225 O GLN A 81 3.608 7.905 8.691 1.00 0.37 O ATOM 1226 CB GLN A 81 6.499 8.154 8.802 1.00 0.46 C ATOM 1227 CG GLN A 81 7.606 8.689 9.696 1.00 1.09 C ATOM 1228 CD GLN A 81 7.072 9.377 10.938 1.00 1.48 C ATOM 1229 OE1 GLN A 81 6.817 10.580 10.932 1.00 2.08 O ATOM 1230 NE2 GLN A 81 6.904 8.613 12.011 1.00 1.80 N ATOM 0 H GLN A 81 7.087 5.707 8.515 1.00 0.31 H new ATOM 0 HA GLN A 81 5.567 7.200 10.492 1.00 0.36 H new ATOM 0 HB2 GLN A 81 6.934 7.814 7.862 1.00 0.46 H new ATOM 0 HB3 GLN A 81 5.814 8.967 8.560 1.00 0.46 H new ATOM 0 HG2 GLN A 81 8.258 7.867 9.992 1.00 1.09 H new ATOM 0 HG3 GLN A 81 8.217 9.392 9.130 1.00 1.09 H new ATOM 0 HE21 GLN A 81 7.129 7.619 11.970 1.00 1.80 H new ATOM 0 HE22 GLN A 81 6.550 9.020 12.877 1.00 1.80 H new ATOM 1239 N VAL A 82 3.966 5.716 8.323 1.00 0.26 N ATOM 1240 CA VAL A 82 2.670 5.507 7.681 1.00 0.26 C ATOM 1241 C VAL A 82 1.756 4.626 8.534 1.00 0.24 C ATOM 1242 O VAL A 82 2.087 4.302 9.675 1.00 0.24 O ATOM 1243 CB VAL A 82 2.834 4.876 6.283 1.00 0.30 C ATOM 1244 CG1 VAL A 82 3.171 5.944 5.254 1.00 0.45 C ATOM 1245 CG2 VAL A 82 3.908 3.800 6.303 1.00 0.25 C ATOM 0 H VAL A 82 4.547 4.880 8.385 1.00 0.26 H new ATOM 0 HA VAL A 82 2.209 6.489 7.575 1.00 0.26 H new ATOM 0 HB VAL A 82 1.888 4.412 6.003 1.00 0.30 H new ATOM 0 HG11 VAL A 82 3.283 5.482 4.273 1.00 0.45 H new ATOM 0 HG12 VAL A 82 2.369 6.681 5.218 1.00 0.45 H new ATOM 0 HG13 VAL A 82 4.103 6.436 5.532 1.00 0.45 H new ATOM 0 HG21 VAL A 82 4.008 3.367 5.308 1.00 0.25 H new ATOM 0 HG22 VAL A 82 4.858 4.240 6.605 1.00 0.25 H new ATOM 0 HG23 VAL A 82 3.628 3.020 7.011 1.00 0.25 H new ATOM 1255 N ILE A 83 0.607 4.245 7.975 1.00 0.25 N ATOM 1256 CA ILE A 83 -0.357 3.410 8.687 1.00 0.26 C ATOM 1257 C ILE A 83 0.277 2.107 9.173 1.00 0.26 C ATOM 1258 O ILE A 83 1.264 1.641 8.603 1.00 0.23 O ATOM 1259 CB ILE A 83 -1.571 3.080 7.797 1.00 0.30 C ATOM 1260 CG1 ILE A 83 -1.108 2.483 6.467 1.00 0.29 C ATOM 1261 CG2 ILE A 83 -2.407 4.331 7.565 1.00 0.32 C ATOM 1262 CD1 ILE A 83 -2.236 1.957 5.607 1.00 0.75 C ATOM 0 H ILE A 83 0.322 4.502 7.030 1.00 0.25 H new ATOM 0 HA ILE A 83 -0.689 3.983 9.552 1.00 0.26 H new ATOM 0 HB ILE A 83 -2.190 2.341 8.306 1.00 0.30 H new ATOM 0 HG12 ILE A 83 -0.562 3.244 5.909 1.00 0.29 H new ATOM 0 HG13 ILE A 83 -0.408 1.672 6.668 1.00 0.29 H new ATOM 0 HG21 ILE A 83 -3.262 4.086 6.935 1.00 0.32 H new ATOM 0 HG22 ILE A 83 -2.760 4.715 8.522 1.00 0.32 H new ATOM 0 HG23 ILE A 83 -1.798 5.089 7.072 1.00 0.32 H new ATOM 0 HD11 ILE A 83 -1.829 1.550 4.682 1.00 0.75 H new ATOM 0 HD12 ILE A 83 -2.768 1.173 6.145 1.00 0.75 H new ATOM 0 HD13 ILE A 83 -2.925 2.769 5.374 1.00 0.75 H new ATOM 1274 N PRO A 84 -0.279 1.507 10.246 1.00 0.32 N ATOM 1275 CA PRO A 84 0.243 0.259 10.814 1.00 0.34 C ATOM 1276 C PRO A 84 0.503 -0.810 9.759 1.00 0.31 C ATOM 1277 O PRO A 84 1.607 -1.351 9.668 1.00 0.32 O ATOM 1278 CB PRO A 84 -0.870 -0.188 11.762 1.00 0.43 C ATOM 1279 CG PRO A 84 -1.539 1.075 12.176 1.00 0.65 C ATOM 1280 CD PRO A 84 -1.460 1.996 10.989 1.00 0.41 C ATOM 0 HA PRO A 84 1.207 0.410 11.299 1.00 0.34 H new ATOM 0 HB2 PRO A 84 -1.568 -0.862 11.265 1.00 0.43 H new ATOM 0 HB3 PRO A 84 -0.467 -0.724 12.622 1.00 0.43 H new ATOM 0 HG2 PRO A 84 -2.576 0.892 12.460 1.00 0.65 H new ATOM 0 HG3 PRO A 84 -1.044 1.513 13.043 1.00 0.65 H new ATOM 0 HD2 PRO A 84 -2.364 1.946 10.382 1.00 0.41 H new ATOM 0 HD3 PRO A 84 -1.339 3.035 11.295 1.00 0.41 H new ATOM 1288 N GLY A 85 -0.517 -1.103 8.959 1.00 0.31 N ATOM 1289 CA GLY A 85 -0.384 -2.111 7.925 1.00 0.31 C ATOM 1290 C GLY A 85 0.810 -1.876 7.012 1.00 0.27 C ATOM 1291 O GLY A 85 1.622 -2.777 6.795 1.00 0.28 O ATOM 0 H GLY A 85 -1.434 -0.659 9.009 1.00 0.31 H new ATOM 0 HA2 GLY A 85 -0.289 -3.091 8.392 1.00 0.31 H new ATOM 0 HA3 GLY A 85 -1.294 -2.130 7.325 1.00 0.31 H new ATOM 1295 N TRP A 86 0.934 -0.654 6.505 1.00 0.25 N ATOM 1296 CA TRP A 86 2.025 -0.305 5.599 1.00 0.25 C ATOM 1297 C TRP A 86 3.392 -0.515 6.248 1.00 0.24 C ATOM 1298 O TRP A 86 4.297 -1.079 5.634 1.00 0.30 O ATOM 1299 CB TRP A 86 1.889 1.147 5.139 1.00 0.25 C ATOM 1300 CG TRP A 86 1.507 1.290 3.695 1.00 0.21 C ATOM 1301 CD1 TRP A 86 0.327 0.925 3.111 1.00 0.26 C ATOM 1302 CD2 TRP A 86 2.312 1.848 2.652 1.00 0.34 C ATOM 1303 NE1 TRP A 86 0.354 1.218 1.767 1.00 0.19 N ATOM 1304 CE2 TRP A 86 1.561 1.787 1.464 1.00 0.28 C ATOM 1305 CE3 TRP A 86 3.596 2.391 2.609 1.00 0.60 C ATOM 1306 CZ2 TRP A 86 2.054 2.250 0.246 1.00 0.44 C ATOM 1307 CZ3 TRP A 86 4.083 2.852 1.401 1.00 0.78 C ATOM 1308 CH2 TRP A 86 3.313 2.779 0.234 1.00 0.70 C ATOM 0 H TRP A 86 0.292 0.113 6.706 1.00 0.25 H new ATOM 0 HA TRP A 86 1.957 -0.969 4.737 1.00 0.25 H new ATOM 0 HB2 TRP A 86 1.140 1.645 5.755 1.00 0.25 H new ATOM 0 HB3 TRP A 86 2.834 1.662 5.308 1.00 0.25 H new ATOM 0 HD1 TRP A 86 -0.506 0.472 3.629 1.00 0.26 H new ATOM 0 HE1 TRP A 86 -0.402 1.040 1.105 1.00 0.19 H new ATOM 0 HE3 TRP A 86 4.198 2.450 3.503 1.00 0.60 H new ATOM 0 HZ2 TRP A 86 1.462 2.193 -0.656 1.00 0.44 H new ATOM 0 HZ3 TRP A 86 5.075 3.276 1.356 1.00 0.78 H new ATOM 0 HH2 TRP A 86 3.723 3.148 -0.694 1.00 0.70 H new ATOM 1319 N THR A 87 3.535 -0.058 7.488 1.00 0.23 N ATOM 1320 CA THR A 87 4.796 -0.188 8.211 1.00 0.26 C ATOM 1321 C THR A 87 5.260 -1.642 8.280 1.00 0.25 C ATOM 1322 O THR A 87 6.455 -1.925 8.186 1.00 0.26 O ATOM 1323 CB THR A 87 4.679 0.374 9.642 1.00 0.33 C ATOM 1324 OG1 THR A 87 4.364 1.771 9.595 1.00 1.40 O ATOM 1325 CG2 THR A 87 5.970 0.168 10.420 1.00 1.25 C ATOM 0 H THR A 87 2.794 0.406 8.013 1.00 0.23 H new ATOM 0 HA THR A 87 5.535 0.390 7.656 1.00 0.26 H new ATOM 0 HB THR A 87 3.880 -0.165 10.152 1.00 0.33 H new ATOM 0 HG1 THR A 87 3.436 1.887 9.302 1.00 1.40 H new ATOM 0 HG21 THR A 87 5.858 0.574 11.425 1.00 1.25 H new ATOM 0 HG22 THR A 87 6.192 -0.897 10.482 1.00 1.25 H new ATOM 0 HG23 THR A 87 6.787 0.680 9.911 1.00 1.25 H new ATOM 1333 N GLU A 88 4.313 -2.559 8.440 1.00 0.25 N ATOM 1334 CA GLU A 88 4.631 -3.979 8.535 1.00 0.28 C ATOM 1335 C GLU A 88 5.191 -4.523 7.221 1.00 0.28 C ATOM 1336 O GLU A 88 6.230 -5.183 7.208 1.00 0.34 O ATOM 1337 CB GLU A 88 3.382 -4.763 8.930 1.00 0.33 C ATOM 1338 CG GLU A 88 3.675 -5.982 9.785 1.00 0.69 C ATOM 1339 CD GLU A 88 4.600 -6.969 9.102 1.00 0.86 C ATOM 1340 OE1 GLU A 88 4.146 -7.658 8.166 1.00 1.43 O ATOM 1341 OE2 GLU A 88 5.780 -7.052 9.502 1.00 1.15 O ATOM 0 H GLU A 88 3.318 -2.345 8.507 1.00 0.25 H new ATOM 0 HA GLU A 88 5.399 -4.099 9.299 1.00 0.28 H new ATOM 0 HB2 GLU A 88 2.705 -4.103 9.473 1.00 0.33 H new ATOM 0 HB3 GLU A 88 2.861 -5.080 8.026 1.00 0.33 H new ATOM 0 HG2 GLU A 88 4.123 -5.661 10.725 1.00 0.69 H new ATOM 0 HG3 GLU A 88 2.738 -6.481 10.032 1.00 0.69 H new ATOM 1348 N ALA A 89 4.498 -4.249 6.120 1.00 0.26 N ATOM 1349 CA ALA A 89 4.925 -4.733 4.807 1.00 0.29 C ATOM 1350 C ALA A 89 6.263 -4.132 4.383 1.00 0.29 C ATOM 1351 O ALA A 89 7.166 -4.851 3.957 1.00 0.33 O ATOM 1352 CB ALA A 89 3.863 -4.436 3.762 1.00 0.29 C ATOM 0 H ALA A 89 3.641 -3.696 6.108 1.00 0.26 H new ATOM 0 HA ALA A 89 5.059 -5.812 4.887 1.00 0.29 H new ATOM 0 HB1 ALA A 89 4.196 -4.802 2.791 1.00 0.29 H new ATOM 0 HB2 ALA A 89 2.933 -4.932 4.038 1.00 0.29 H new ATOM 0 HB3 ALA A 89 3.698 -3.360 3.707 1.00 0.29 H new ATOM 1358 N LEU A 90 6.379 -2.813 4.490 1.00 0.28 N ATOM 1359 CA LEU A 90 7.604 -2.117 4.105 1.00 0.31 C ATOM 1360 C LEU A 90 8.818 -2.645 4.868 1.00 0.35 C ATOM 1361 O LEU A 90 9.946 -2.571 4.379 1.00 0.39 O ATOM 1362 CB LEU A 90 7.454 -0.611 4.338 1.00 0.33 C ATOM 1363 CG LEU A 90 6.866 0.184 3.165 1.00 0.33 C ATOM 1364 CD1 LEU A 90 7.820 0.172 1.979 1.00 0.39 C ATOM 1365 CD2 LEU A 90 5.511 -0.378 2.762 1.00 0.32 C ATOM 0 H LEU A 90 5.640 -2.203 4.840 1.00 0.28 H new ATOM 0 HA LEU A 90 7.769 -2.304 3.044 1.00 0.31 H new ATOM 0 HB2 LEU A 90 6.821 -0.458 5.212 1.00 0.33 H new ATOM 0 HB3 LEU A 90 8.434 -0.199 4.578 1.00 0.33 H new ATOM 0 HG LEU A 90 6.728 1.216 3.487 1.00 0.33 H new ATOM 0 HD11 LEU A 90 7.386 0.741 1.157 1.00 0.39 H new ATOM 0 HD12 LEU A 90 8.769 0.623 2.271 1.00 0.39 H new ATOM 0 HD13 LEU A 90 7.990 -0.856 1.659 1.00 0.39 H new ATOM 0 HD21 LEU A 90 5.111 0.200 1.929 1.00 0.32 H new ATOM 0 HD22 LEU A 90 5.624 -1.419 2.461 1.00 0.32 H new ATOM 0 HD23 LEU A 90 4.826 -0.317 3.608 1.00 0.32 H new ATOM 1377 N GLN A 91 8.584 -3.180 6.062 1.00 0.37 N ATOM 1378 CA GLN A 91 9.667 -3.715 6.883 1.00 0.43 C ATOM 1379 C GLN A 91 10.291 -4.946 6.230 1.00 0.39 C ATOM 1380 O GLN A 91 11.453 -5.271 6.477 1.00 0.43 O ATOM 1381 CB GLN A 91 9.143 -4.058 8.285 1.00 0.52 C ATOM 1382 CG GLN A 91 10.043 -4.993 9.087 1.00 1.07 C ATOM 1383 CD GLN A 91 11.267 -4.307 9.673 1.00 1.32 C ATOM 1384 OE1 GLN A 91 11.792 -3.307 8.975 1.00 1.87 O flip ATOM 1385 NE2 GLN A 91 11.740 -4.679 10.745 1.00 1.80 N flip ATOM 0 H GLN A 91 7.658 -3.255 6.483 1.00 0.37 H new ATOM 0 HA GLN A 91 10.441 -2.953 6.971 1.00 0.43 H new ATOM 0 HB2 GLN A 91 9.011 -3.133 8.846 1.00 0.52 H new ATOM 0 HB3 GLN A 91 8.159 -4.516 8.189 1.00 0.52 H new ATOM 0 HG2 GLN A 91 9.463 -5.436 9.897 1.00 1.07 H new ATOM 0 HG3 GLN A 91 10.368 -5.811 8.444 1.00 1.07 H new ATOM 0 HE21 GLN A 91 11.308 -5.451 11.252 1.00 1.80 H new ATOM 0 HE22 GLN A 91 12.564 -4.215 11.127 1.00 1.80 H new ATOM 1394 N LEU A 92 9.517 -5.617 5.388 1.00 0.37 N ATOM 1395 CA LEU A 92 9.990 -6.808 4.697 1.00 0.36 C ATOM 1396 C LEU A 92 10.556 -6.459 3.324 1.00 0.32 C ATOM 1397 O LEU A 92 11.125 -7.313 2.646 1.00 0.39 O ATOM 1398 CB LEU A 92 8.851 -7.822 4.545 1.00 0.38 C ATOM 1399 CG LEU A 92 8.547 -8.670 5.785 1.00 0.59 C ATOM 1400 CD1 LEU A 92 9.723 -9.576 6.117 1.00 1.17 C ATOM 1401 CD2 LEU A 92 8.200 -7.788 6.975 1.00 1.31 C ATOM 0 H LEU A 92 8.556 -5.356 5.167 1.00 0.37 H new ATOM 0 HA LEU A 92 10.787 -7.248 5.297 1.00 0.36 H new ATOM 0 HB2 LEU A 92 7.945 -7.284 4.264 1.00 0.38 H new ATOM 0 HB3 LEU A 92 9.093 -8.492 3.720 1.00 0.38 H new ATOM 0 HG LEU A 92 7.682 -9.295 5.562 1.00 0.59 H new ATOM 0 HD11 LEU A 92 9.487 -10.170 7.000 1.00 1.17 H new ATOM 0 HD12 LEU A 92 9.920 -10.240 5.275 1.00 1.17 H new ATOM 0 HD13 LEU A 92 10.606 -8.968 6.314 1.00 1.17 H new ATOM 0 HD21 LEU A 92 7.988 -8.414 7.842 1.00 1.31 H new ATOM 0 HD22 LEU A 92 9.040 -7.131 7.198 1.00 1.31 H new ATOM 0 HD23 LEU A 92 7.322 -7.187 6.739 1.00 1.31 H new ATOM 1413 N MET A 93 10.393 -5.202 2.917 1.00 0.31 N ATOM 1414 CA MET A 93 10.880 -4.750 1.621 1.00 0.33 C ATOM 1415 C MET A 93 12.328 -4.259 1.695 1.00 0.23 C ATOM 1416 O MET A 93 12.597 -3.196 2.254 1.00 0.23 O ATOM 1417 CB MET A 93 9.992 -3.624 1.095 1.00 0.45 C ATOM 1418 CG MET A 93 8.702 -4.109 0.457 1.00 1.05 C ATOM 1419 SD MET A 93 7.764 -2.776 -0.313 1.00 1.05 S ATOM 1420 CE MET A 93 8.902 -2.260 -1.595 1.00 1.66 C ATOM 0 H MET A 93 9.927 -4.481 3.468 1.00 0.31 H new ATOM 0 HA MET A 93 10.846 -5.603 0.943 1.00 0.33 H new ATOM 0 HB2 MET A 93 9.749 -2.951 1.917 1.00 0.45 H new ATOM 0 HB3 MET A 93 10.553 -3.043 0.363 1.00 0.45 H new ATOM 0 HG2 MET A 93 8.934 -4.865 -0.293 1.00 1.05 H new ATOM 0 HG3 MET A 93 8.085 -4.591 1.215 1.00 1.05 H new ATOM 0 HE1 MET A 93 8.340 -1.904 -2.459 1.00 1.66 H new ATOM 0 HE2 MET A 93 9.535 -1.457 -1.218 1.00 1.66 H new ATOM 0 HE3 MET A 93 9.525 -3.104 -1.890 1.00 1.66 H new ATOM 1430 N PRO A 94 13.281 -5.026 1.129 1.00 0.25 N ATOM 1431 CA PRO A 94 14.690 -4.636 1.107 1.00 0.23 C ATOM 1432 C PRO A 94 14.949 -3.628 -0.004 1.00 0.21 C ATOM 1433 O PRO A 94 14.305 -3.684 -1.052 1.00 0.21 O ATOM 1434 CB PRO A 94 15.407 -5.953 0.821 1.00 0.31 C ATOM 1435 CG PRO A 94 14.439 -6.730 -0.002 1.00 0.44 C ATOM 1436 CD PRO A 94 13.065 -6.336 0.478 1.00 0.37 C ATOM 0 HA PRO A 94 15.021 -4.158 2.029 1.00 0.23 H new ATOM 0 HB2 PRO A 94 16.342 -5.788 0.285 1.00 0.31 H new ATOM 0 HB3 PRO A 94 15.656 -6.478 1.743 1.00 0.31 H new ATOM 0 HG2 PRO A 94 14.560 -6.505 -1.061 1.00 0.44 H new ATOM 0 HG3 PRO A 94 14.600 -7.802 0.116 1.00 0.44 H new ATOM 0 HD2 PRO A 94 12.359 -6.260 -0.349 1.00 0.37 H new ATOM 0 HD3 PRO A 94 12.660 -7.068 1.177 1.00 0.37 H new ATOM 1444 N ALA A 95 15.885 -2.710 0.220 1.00 0.24 N ATOM 1445 CA ALA A 95 16.198 -1.686 -0.773 1.00 0.27 C ATOM 1446 C ALA A 95 16.327 -2.280 -2.173 1.00 0.27 C ATOM 1447 O ALA A 95 17.079 -3.226 -2.387 1.00 0.31 O ATOM 1448 CB ALA A 95 17.480 -0.963 -0.395 1.00 0.36 C ATOM 0 H ALA A 95 16.438 -2.654 1.076 1.00 0.24 H new ATOM 0 HA ALA A 95 15.372 -0.975 -0.786 1.00 0.27 H new ATOM 0 HB1 ALA A 95 17.703 -0.202 -1.143 1.00 0.36 H new ATOM 0 HB2 ALA A 95 17.357 -0.489 0.579 1.00 0.36 H new ATOM 0 HB3 ALA A 95 18.301 -1.678 -0.349 1.00 0.36 H new ATOM 1454 N GLY A 96 15.582 -1.720 -3.121 1.00 0.27 N ATOM 1455 CA GLY A 96 15.649 -2.198 -4.492 1.00 0.28 C ATOM 1456 C GLY A 96 14.536 -3.170 -4.844 1.00 0.28 C ATOM 1457 O GLY A 96 14.384 -3.549 -6.006 1.00 0.34 O ATOM 0 H GLY A 96 14.935 -0.947 -2.966 1.00 0.27 H new ATOM 0 HA2 GLY A 96 15.605 -1.345 -5.169 1.00 0.28 H new ATOM 0 HA3 GLY A 96 16.611 -2.684 -4.653 1.00 0.28 H new ATOM 1461 N SER A 97 13.759 -3.580 -3.846 1.00 0.24 N ATOM 1462 CA SER A 97 12.660 -4.517 -4.067 1.00 0.24 C ATOM 1463 C SER A 97 11.525 -3.864 -4.853 1.00 0.19 C ATOM 1464 O SER A 97 11.561 -2.667 -5.138 1.00 0.21 O ATOM 1465 CB SER A 97 12.133 -5.049 -2.731 1.00 0.28 C ATOM 1466 OG SER A 97 10.998 -5.877 -2.920 1.00 1.41 O ATOM 0 H SER A 97 13.869 -3.279 -2.878 1.00 0.24 H new ATOM 0 HA SER A 97 13.047 -5.350 -4.654 1.00 0.24 H new ATOM 0 HB2 SER A 97 12.918 -5.613 -2.226 1.00 0.28 H new ATOM 0 HB3 SER A 97 11.873 -4.213 -2.081 1.00 0.28 H new ATOM 0 HG SER A 97 10.683 -6.204 -2.051 1.00 1.41 H new ATOM 1472 N THR A 98 10.521 -4.664 -5.200 1.00 0.17 N ATOM 1473 CA THR A 98 9.367 -4.180 -5.949 1.00 0.14 C ATOM 1474 C THR A 98 8.111 -4.942 -5.544 1.00 0.13 C ATOM 1475 O THR A 98 7.790 -5.981 -6.122 1.00 0.23 O ATOM 1476 CB THR A 98 9.579 -4.331 -7.467 1.00 0.16 C ATOM 1477 OG1 THR A 98 10.837 -3.758 -7.845 1.00 0.20 O ATOM 1478 CG2 THR A 98 8.456 -3.654 -8.239 1.00 0.18 C ATOM 0 H THR A 98 10.484 -5.658 -4.972 1.00 0.17 H new ATOM 0 HA THR A 98 9.248 -3.122 -5.714 1.00 0.14 H new ATOM 0 HB THR A 98 9.577 -5.394 -7.709 1.00 0.16 H new ATOM 0 HG1 THR A 98 10.791 -2.783 -7.760 1.00 0.20 H new ATOM 0 HG21 THR A 98 8.627 -3.773 -9.309 1.00 0.18 H new ATOM 0 HG22 THR A 98 7.503 -4.110 -7.970 1.00 0.18 H new ATOM 0 HG23 THR A 98 8.433 -2.593 -7.992 1.00 0.18 H new ATOM 1486 N TRP A 99 7.404 -4.420 -4.548 1.00 0.16 N ATOM 1487 CA TRP A 99 6.189 -5.060 -4.058 1.00 0.15 C ATOM 1488 C TRP A 99 4.944 -4.242 -4.367 1.00 0.16 C ATOM 1489 O TRP A 99 4.987 -3.013 -4.434 1.00 0.18 O ATOM 1490 CB TRP A 99 6.276 -5.270 -2.543 1.00 0.19 C ATOM 1491 CG TRP A 99 7.028 -6.498 -2.130 1.00 0.17 C ATOM 1492 CD1 TRP A 99 7.786 -7.310 -2.924 1.00 0.25 C ATOM 1493 CD2 TRP A 99 7.091 -7.055 -0.812 1.00 0.26 C ATOM 1494 NE1 TRP A 99 8.314 -8.335 -2.180 1.00 0.29 N ATOM 1495 CE2 TRP A 99 7.904 -8.200 -0.882 1.00 0.28 C ATOM 1496 CE3 TRP A 99 6.540 -6.696 0.421 1.00 0.42 C ATOM 1497 CZ2 TRP A 99 8.180 -8.987 0.232 1.00 0.38 C ATOM 1498 CZ3 TRP A 99 6.815 -7.478 1.527 1.00 0.53 C ATOM 1499 CH2 TRP A 99 7.629 -8.612 1.426 1.00 0.49 C ATOM 0 H TRP A 99 7.651 -3.556 -4.065 1.00 0.16 H new ATOM 0 HA TRP A 99 6.107 -6.018 -4.571 1.00 0.15 H new ATOM 0 HB2 TRP A 99 6.753 -4.399 -2.095 1.00 0.19 H new ATOM 0 HB3 TRP A 99 5.266 -5.324 -2.137 1.00 0.19 H new ATOM 0 HD1 TRP A 99 7.946 -7.167 -3.982 1.00 0.25 H new ATOM 0 HE1 TRP A 99 8.915 -9.078 -2.537 1.00 0.29 H new ATOM 0 HE3 TRP A 99 5.910 -5.823 0.508 1.00 0.42 H new ATOM 0 HZ2 TRP A 99 8.807 -9.863 0.156 1.00 0.38 H new ATOM 0 HZ3 TRP A 99 6.395 -7.210 2.485 1.00 0.53 H new ATOM 0 HH2 TRP A 99 7.826 -9.203 2.309 1.00 0.49 H new ATOM 1510 N GLU A 100 3.835 -4.947 -4.554 1.00 0.17 N ATOM 1511 CA GLU A 100 2.548 -4.317 -4.812 1.00 0.20 C ATOM 1512 C GLU A 100 1.588 -4.718 -3.701 1.00 0.19 C ATOM 1513 O GLU A 100 1.135 -5.862 -3.648 1.00 0.19 O ATOM 1514 CB GLU A 100 2.007 -4.748 -6.181 1.00 0.27 C ATOM 1515 CG GLU A 100 0.520 -4.489 -6.363 1.00 0.95 C ATOM 1516 CD GLU A 100 0.098 -4.514 -7.819 1.00 0.95 C ATOM 1517 OE1 GLU A 100 0.140 -3.447 -8.467 1.00 1.20 O ATOM 1518 OE2 GLU A 100 -0.277 -5.598 -8.310 1.00 1.37 O ATOM 0 H GLU A 100 3.803 -5.966 -4.531 1.00 0.17 H new ATOM 0 HA GLU A 100 2.658 -3.233 -4.828 1.00 0.20 H new ATOM 0 HB2 GLU A 100 2.556 -4.220 -6.961 1.00 0.27 H new ATOM 0 HB3 GLU A 100 2.200 -5.812 -6.319 1.00 0.27 H new ATOM 0 HG2 GLU A 100 -0.046 -5.240 -5.812 1.00 0.95 H new ATOM 0 HG3 GLU A 100 0.268 -3.520 -5.932 1.00 0.95 H new ATOM 1525 N ILE A 101 1.271 -3.776 -2.819 1.00 0.18 N ATOM 1526 CA ILE A 101 0.403 -4.065 -1.690 1.00 0.18 C ATOM 1527 C ILE A 101 -0.956 -3.385 -1.788 1.00 0.18 C ATOM 1528 O ILE A 101 -1.085 -2.277 -2.307 1.00 0.19 O ATOM 1529 CB ILE A 101 1.064 -3.643 -0.365 1.00 0.20 C ATOM 1530 CG1 ILE A 101 1.356 -2.141 -0.367 1.00 0.18 C ATOM 1531 CG2 ILE A 101 2.342 -4.436 -0.129 1.00 0.25 C ATOM 1532 CD1 ILE A 101 1.842 -1.616 0.966 1.00 0.22 C ATOM 0 H ILE A 101 1.601 -2.812 -2.866 1.00 0.18 H new ATOM 0 HA ILE A 101 0.246 -5.143 -1.713 1.00 0.18 H new ATOM 0 HB ILE A 101 0.372 -3.858 0.449 1.00 0.20 H new ATOM 0 HG12 ILE A 101 2.106 -1.926 -1.128 1.00 0.18 H new ATOM 0 HG13 ILE A 101 0.451 -1.604 -0.651 1.00 0.18 H new ATOM 0 HG21 ILE A 101 2.795 -4.124 0.812 1.00 0.25 H new ATOM 0 HG22 ILE A 101 2.107 -5.499 -0.084 1.00 0.25 H new ATOM 0 HG23 ILE A 101 3.040 -4.253 -0.946 1.00 0.25 H new ATOM 0 HD11 ILE A 101 2.029 -0.545 0.889 1.00 0.22 H new ATOM 0 HD12 ILE A 101 1.084 -1.799 1.727 1.00 0.22 H new ATOM 0 HD13 ILE A 101 2.765 -2.126 1.243 1.00 0.22 H new ATOM 1544 N TYR A 102 -1.961 -4.080 -1.272 1.00 0.21 N ATOM 1545 CA TYR A 102 -3.330 -3.587 -1.235 1.00 0.22 C ATOM 1546 C TYR A 102 -3.865 -3.777 0.180 1.00 0.22 C ATOM 1547 O TYR A 102 -4.211 -4.889 0.579 1.00 0.21 O ATOM 1548 CB TYR A 102 -4.193 -4.338 -2.254 1.00 0.21 C ATOM 1549 CG TYR A 102 -3.682 -5.725 -2.576 1.00 0.22 C ATOM 1550 CD1 TYR A 102 -4.082 -6.820 -1.824 1.00 0.24 C ATOM 1551 CD2 TYR A 102 -2.798 -5.942 -3.628 1.00 0.22 C ATOM 1552 CE1 TYR A 102 -3.617 -8.088 -2.107 1.00 0.27 C ATOM 1553 CE2 TYR A 102 -2.331 -7.208 -3.918 1.00 0.25 C ATOM 1554 CZ TYR A 102 -2.743 -8.277 -3.156 1.00 0.27 C ATOM 1555 OH TYR A 102 -2.280 -9.540 -3.442 1.00 0.31 O ATOM 0 H TYR A 102 -1.848 -5.008 -0.865 1.00 0.21 H new ATOM 0 HA TYR A 102 -3.359 -2.530 -1.498 1.00 0.22 H new ATOM 0 HB2 TYR A 102 -5.210 -4.415 -1.870 1.00 0.21 H new ATOM 0 HB3 TYR A 102 -4.243 -3.756 -3.174 1.00 0.21 H new ATOM 0 HD1 TYR A 102 -4.769 -6.678 -1.003 1.00 0.24 H new ATOM 0 HD2 TYR A 102 -2.472 -5.105 -4.228 1.00 0.22 H new ATOM 0 HE1 TYR A 102 -3.936 -8.929 -1.509 1.00 0.27 H new ATOM 0 HE2 TYR A 102 -1.646 -7.359 -4.739 1.00 0.25 H new ATOM 0 HH TYR A 102 -1.772 -9.883 -2.677 1.00 0.31 H new ATOM 1565 N VAL A 103 -3.933 -2.685 0.936 1.00 0.26 N ATOM 1566 CA VAL A 103 -4.365 -2.749 2.328 1.00 0.29 C ATOM 1567 C VAL A 103 -5.779 -2.220 2.557 1.00 0.29 C ATOM 1568 O VAL A 103 -5.980 -1.008 2.636 1.00 0.38 O ATOM 1569 CB VAL A 103 -3.414 -1.942 3.234 1.00 0.39 C ATOM 1570 CG1 VAL A 103 -3.634 -2.302 4.695 1.00 0.52 C ATOM 1571 CG2 VAL A 103 -1.965 -2.168 2.831 1.00 0.33 C ATOM 0 H VAL A 103 -3.695 -1.748 0.609 1.00 0.26 H new ATOM 0 HA VAL A 103 -4.350 -3.810 2.579 1.00 0.29 H new ATOM 0 HB VAL A 103 -3.637 -0.882 3.108 1.00 0.39 H new ATOM 0 HG11 VAL A 103 -2.954 -1.722 5.319 1.00 0.52 H new ATOM 0 HG12 VAL A 103 -4.663 -2.077 4.974 1.00 0.52 H new ATOM 0 HG13 VAL A 103 -3.443 -3.365 4.841 1.00 0.52 H new ATOM 0 HG21 VAL A 103 -1.311 -1.589 3.483 1.00 0.33 H new ATOM 0 HG22 VAL A 103 -1.723 -3.227 2.922 1.00 0.33 H new ATOM 0 HG23 VAL A 103 -1.821 -1.850 1.798 1.00 0.33 H new ATOM 1581 N PRO A 104 -6.784 -3.112 2.666 1.00 0.28 N ATOM 1582 CA PRO A 104 -8.153 -2.694 2.954 1.00 0.34 C ATOM 1583 C PRO A 104 -8.195 -1.937 4.279 1.00 0.34 C ATOM 1584 O PRO A 104 -7.365 -2.180 5.154 1.00 0.31 O ATOM 1585 CB PRO A 104 -8.945 -4.007 3.039 1.00 0.39 C ATOM 1586 CG PRO A 104 -7.924 -5.087 3.157 1.00 0.48 C ATOM 1587 CD PRO A 104 -6.677 -4.571 2.498 1.00 0.33 C ATOM 0 HA PRO A 104 -8.563 -2.023 2.199 1.00 0.34 H new ATOM 0 HB2 PRO A 104 -9.614 -4.005 3.899 1.00 0.39 H new ATOM 0 HB3 PRO A 104 -9.564 -4.149 2.153 1.00 0.39 H new ATOM 0 HG2 PRO A 104 -7.737 -5.331 4.203 1.00 0.48 H new ATOM 0 HG3 PRO A 104 -8.269 -6.001 2.673 1.00 0.48 H new ATOM 0 HD2 PRO A 104 -5.779 -4.966 2.972 1.00 0.33 H new ATOM 0 HD3 PRO A 104 -6.632 -4.853 1.446 1.00 0.33 H new ATOM 1595 N SER A 105 -9.140 -1.017 4.423 1.00 0.45 N ATOM 1596 CA SER A 105 -9.244 -0.208 5.640 1.00 0.51 C ATOM 1597 C SER A 105 -9.160 -1.052 6.915 1.00 0.44 C ATOM 1598 O SER A 105 -8.639 -0.595 7.929 1.00 0.48 O ATOM 1599 CB SER A 105 -10.555 0.576 5.642 1.00 0.66 C ATOM 1600 OG SER A 105 -10.371 1.872 6.186 1.00 1.81 O ATOM 0 H SER A 105 -9.846 -0.809 3.717 1.00 0.45 H new ATOM 0 HA SER A 105 -8.395 0.476 5.636 1.00 0.51 H new ATOM 0 HB2 SER A 105 -10.937 0.656 4.624 1.00 0.66 H new ATOM 0 HB3 SER A 105 -11.304 0.037 6.222 1.00 0.66 H new ATOM 0 HG SER A 105 -11.223 2.355 6.175 1.00 1.81 H new ATOM 1606 N GLY A 106 -9.648 -2.286 6.853 1.00 0.38 N ATOM 1607 CA GLY A 106 -9.638 -3.149 8.027 1.00 0.36 C ATOM 1608 C GLY A 106 -8.256 -3.363 8.624 1.00 0.36 C ATOM 1609 O GLY A 106 -8.137 -3.854 9.747 1.00 0.40 O ATOM 0 H GLY A 106 -10.050 -2.706 6.015 1.00 0.38 H new ATOM 0 HA2 GLY A 106 -10.289 -2.718 8.788 1.00 0.36 H new ATOM 0 HA3 GLY A 106 -10.060 -4.117 7.758 1.00 0.36 H new ATOM 1613 N LEU A 107 -7.215 -3.003 7.883 1.00 0.37 N ATOM 1614 CA LEU A 107 -5.844 -3.175 8.355 1.00 0.42 C ATOM 1615 C LEU A 107 -5.139 -1.837 8.545 1.00 0.45 C ATOM 1616 O LEU A 107 -4.012 -1.785 9.039 1.00 0.57 O ATOM 1617 CB LEU A 107 -5.053 -4.057 7.386 1.00 0.61 C ATOM 1618 CG LEU A 107 -5.497 -5.524 7.310 1.00 1.21 C ATOM 1619 CD1 LEU A 107 -5.738 -6.100 8.698 1.00 2.35 C ATOM 1620 CD2 LEU A 107 -6.745 -5.660 6.455 1.00 1.60 C ATOM 0 H LEU A 107 -7.293 -2.590 6.953 1.00 0.37 H new ATOM 0 HA LEU A 107 -5.891 -3.665 9.327 1.00 0.42 H new ATOM 0 HB2 LEU A 107 -5.123 -3.623 6.389 1.00 0.61 H new ATOM 0 HB3 LEU A 107 -4.002 -4.029 7.673 1.00 0.61 H new ATOM 0 HG LEU A 107 -4.692 -6.093 6.845 1.00 1.21 H new ATOM 0 HD11 LEU A 107 -6.051 -7.140 8.611 1.00 2.35 H new ATOM 0 HD12 LEU A 107 -4.818 -6.046 9.279 1.00 2.35 H new ATOM 0 HD13 LEU A 107 -6.518 -5.527 9.199 1.00 2.35 H new ATOM 0 HD21 LEU A 107 -7.045 -6.707 6.413 1.00 1.60 H new ATOM 0 HD22 LEU A 107 -7.551 -5.069 6.891 1.00 1.60 H new ATOM 0 HD23 LEU A 107 -6.536 -5.301 5.447 1.00 1.60 H new ATOM 1632 N ALA A 108 -5.801 -0.757 8.152 1.00 0.45 N ATOM 1633 CA ALA A 108 -5.230 0.577 8.284 1.00 0.60 C ATOM 1634 C ALA A 108 -5.957 1.368 9.368 1.00 0.67 C ATOM 1635 O ALA A 108 -5.749 1.131 10.559 1.00 1.03 O ATOM 1636 CB ALA A 108 -5.276 1.306 6.950 1.00 0.66 C ATOM 0 H ALA A 108 -6.734 -0.778 7.739 1.00 0.45 H new ATOM 0 HA ALA A 108 -4.186 0.482 8.583 1.00 0.60 H new ATOM 0 HB1 ALA A 108 -4.846 2.301 7.064 1.00 0.66 H new ATOM 0 HB2 ALA A 108 -4.704 0.746 6.210 1.00 0.66 H new ATOM 0 HB3 ALA A 108 -6.311 1.394 6.619 1.00 0.66 H new ATOM 1642 N TYR A 109 -6.807 2.305 8.960 1.00 0.54 N ATOM 1643 CA TYR A 109 -7.557 3.111 9.912 1.00 0.68 C ATOM 1644 C TYR A 109 -8.890 2.447 10.243 1.00 1.04 C ATOM 1645 O TYR A 109 -9.531 2.776 11.242 1.00 1.44 O ATOM 1646 CB TYR A 109 -7.770 4.522 9.365 1.00 0.59 C ATOM 1647 CG TYR A 109 -6.689 5.491 9.793 1.00 0.56 C ATOM 1648 CD1 TYR A 109 -6.755 6.118 11.029 1.00 0.72 C ATOM 1649 CD2 TYR A 109 -5.603 5.774 8.970 1.00 0.56 C ATOM 1650 CE1 TYR A 109 -5.774 7.003 11.436 1.00 0.98 C ATOM 1651 CE2 TYR A 109 -4.617 6.656 9.371 1.00 0.79 C ATOM 1652 CZ TYR A 109 -4.708 7.268 10.603 1.00 1.03 C ATOM 1653 OH TYR A 109 -3.727 8.144 11.006 1.00 1.35 O ATOM 0 H TYR A 109 -6.992 2.523 7.981 1.00 0.54 H new ATOM 0 HA TYR A 109 -6.980 3.187 10.834 1.00 0.68 H new ATOM 0 HB2 TYR A 109 -7.805 4.482 8.276 1.00 0.59 H new ATOM 0 HB3 TYR A 109 -8.738 4.894 9.701 1.00 0.59 H new ATOM 0 HD1 TYR A 109 -7.588 5.911 11.685 1.00 0.72 H new ATOM 0 HD2 TYR A 109 -5.529 5.297 8.004 1.00 0.56 H new ATOM 0 HE1 TYR A 109 -5.842 7.484 12.401 1.00 0.98 H new ATOM 0 HE2 TYR A 109 -3.779 6.865 8.722 1.00 0.79 H new ATOM 0 HH TYR A 109 -3.047 8.219 10.304 1.00 1.35 H new ATOM 1663 N GLY A 110 -9.296 1.505 9.394 1.00 1.04 N ATOM 1664 CA GLY A 110 -10.533 0.777 9.616 1.00 1.58 C ATOM 1665 C GLY A 110 -11.679 1.223 8.720 1.00 0.83 C ATOM 1666 O GLY A 110 -11.814 2.411 8.426 1.00 0.93 O ATOM 0 H GLY A 110 -8.787 1.233 8.553 1.00 1.04 H new ATOM 0 HA2 GLY A 110 -10.352 -0.286 9.456 1.00 1.58 H new ATOM 0 HA3 GLY A 110 -10.831 0.896 10.658 1.00 1.58 H new ATOM 1670 N PRO A 111 -12.525 0.272 8.268 1.00 0.51 N ATOM 1671 CA PRO A 111 -13.674 0.555 7.396 1.00 0.83 C ATOM 1672 C PRO A 111 -14.682 1.517 8.017 1.00 1.02 C ATOM 1673 O PRO A 111 -15.597 1.984 7.343 1.00 1.49 O ATOM 1674 CB PRO A 111 -14.325 -0.819 7.189 1.00 1.41 C ATOM 1675 CG PRO A 111 -13.803 -1.665 8.295 1.00 1.39 C ATOM 1676 CD PRO A 111 -12.416 -1.167 8.556 1.00 0.88 C ATOM 0 HA PRO A 111 -13.351 1.041 6.475 1.00 0.83 H new ATOM 0 HB2 PRO A 111 -15.412 -0.750 7.225 1.00 1.41 H new ATOM 0 HB3 PRO A 111 -14.064 -1.236 6.216 1.00 1.41 H new ATOM 0 HG2 PRO A 111 -14.426 -1.577 9.185 1.00 1.39 H new ATOM 0 HG3 PRO A 111 -13.796 -2.718 8.014 1.00 1.39 H new ATOM 0 HD2 PRO A 111 -12.107 -1.351 9.585 1.00 0.88 H new ATOM 0 HD3 PRO A 111 -11.684 -1.654 7.912 1.00 0.88 H new ATOM 1684 N ARG A 112 -14.506 1.837 9.290 1.00 0.94 N ATOM 1685 CA ARG A 112 -15.437 2.726 9.974 1.00 1.23 C ATOM 1686 C ARG A 112 -15.209 4.172 9.550 1.00 0.85 C ATOM 1687 O ARG A 112 -14.251 4.475 8.838 1.00 0.72 O ATOM 1688 CB ARG A 112 -15.289 2.588 11.491 1.00 1.70 C ATOM 1689 CG ARG A 112 -15.517 1.172 11.994 1.00 2.18 C ATOM 1690 CD ARG A 112 -15.492 1.108 13.513 1.00 2.28 C ATOM 1691 NE ARG A 112 -16.614 1.827 14.111 1.00 2.49 N ATOM 1692 CZ ARG A 112 -17.205 1.462 15.246 1.00 2.87 C ATOM 1693 NH1 ARG A 112 -16.785 0.387 15.900 1.00 3.00 N ATOM 1694 NH2 ARG A 112 -18.218 2.171 15.726 1.00 3.51 N ATOM 0 H ARG A 112 -13.736 1.499 9.867 1.00 0.94 H new ATOM 0 HA ARG A 112 -16.451 2.441 9.695 1.00 1.23 H new ATOM 0 HB2 ARG A 112 -14.290 2.912 11.782 1.00 1.70 H new ATOM 0 HB3 ARG A 112 -15.997 3.258 11.980 1.00 1.70 H new ATOM 0 HG2 ARG A 112 -16.477 0.806 11.629 1.00 2.18 H new ATOM 0 HG3 ARG A 112 -14.749 0.513 11.589 1.00 2.18 H new ATOM 0 HD2 ARG A 112 -15.518 0.066 13.832 1.00 2.28 H new ATOM 0 HD3 ARG A 112 -14.556 1.530 13.878 1.00 2.28 H new ATOM 0 HE ARG A 112 -16.964 2.656 13.631 1.00 2.49 H new ATOM 0 HH11 ARG A 112 -16.007 -0.162 15.533 1.00 3.00 H new ATOM 0 HH12 ARG A 112 -17.240 0.109 16.770 1.00 3.00 H new ATOM 0 HH21 ARG A 112 -18.545 2.997 15.225 1.00 3.51 H new ATOM 0 HH22 ARG A 112 -18.670 1.890 16.596 1.00 3.51 H new ATOM 1708 N SER A 113 -16.111 5.057 9.977 1.00 0.87 N ATOM 1709 CA SER A 113 -16.033 6.479 9.636 1.00 0.75 C ATOM 1710 C SER A 113 -14.697 7.099 10.043 1.00 0.91 C ATOM 1711 O SER A 113 -14.488 8.302 9.880 1.00 1.34 O ATOM 1712 CB SER A 113 -17.180 7.242 10.300 1.00 1.01 C ATOM 1713 OG SER A 113 -17.151 8.614 9.948 1.00 1.63 O ATOM 0 H SER A 113 -16.909 4.812 10.563 1.00 0.87 H new ATOM 0 HA SER A 113 -16.115 6.556 8.552 1.00 0.75 H new ATOM 0 HB2 SER A 113 -18.133 6.806 9.999 1.00 1.01 H new ATOM 0 HB3 SER A 113 -17.110 7.140 11.383 1.00 1.01 H new ATOM 0 HG SER A 113 -16.222 8.900 9.825 1.00 1.63 H new ATOM 1719 N VAL A 114 -13.799 6.279 10.570 1.00 1.07 N ATOM 1720 CA VAL A 114 -12.486 6.752 10.989 1.00 1.57 C ATOM 1721 C VAL A 114 -11.447 6.506 9.898 1.00 1.35 C ATOM 1722 O VAL A 114 -10.245 6.497 10.164 1.00 1.61 O ATOM 1723 CB VAL A 114 -12.027 6.065 12.288 1.00 2.24 C ATOM 1724 CG1 VAL A 114 -12.934 6.454 13.446 1.00 2.89 C ATOM 1725 CG2 VAL A 114 -11.997 4.555 12.110 1.00 2.90 C ATOM 0 H VAL A 114 -13.955 5.282 10.718 1.00 1.07 H new ATOM 0 HA VAL A 114 -12.575 7.823 11.171 1.00 1.57 H new ATOM 0 HB VAL A 114 -11.016 6.401 12.519 1.00 2.24 H new ATOM 0 HG11 VAL A 114 -12.595 5.959 14.356 1.00 2.89 H new ATOM 0 HG12 VAL A 114 -12.901 7.534 13.587 1.00 2.89 H new ATOM 0 HG13 VAL A 114 -13.957 6.147 13.226 1.00 2.89 H new ATOM 0 HG21 VAL A 114 -11.670 4.086 13.038 1.00 2.90 H new ATOM 0 HG22 VAL A 114 -12.995 4.199 11.855 1.00 2.90 H new ATOM 0 HG23 VAL A 114 -11.304 4.297 11.309 1.00 2.90 H new ATOM 1735 N GLY A 115 -11.921 6.313 8.669 1.00 1.05 N ATOM 1736 CA GLY A 115 -11.020 6.072 7.555 1.00 0.96 C ATOM 1737 C GLY A 115 -10.114 7.258 7.288 1.00 0.87 C ATOM 1738 O GLY A 115 -10.586 8.340 6.935 1.00 0.97 O ATOM 0 H GLY A 115 -12.911 6.319 8.425 1.00 1.05 H new ATOM 0 HA2 GLY A 115 -10.412 5.192 7.765 1.00 0.96 H new ATOM 0 HA3 GLY A 115 -11.602 5.852 6.660 1.00 0.96 H new ATOM 1742 N GLY A 116 -8.811 7.056 7.457 1.00 0.80 N ATOM 1743 CA GLY A 116 -7.858 8.130 7.240 1.00 0.80 C ATOM 1744 C GLY A 116 -7.551 8.360 5.768 1.00 0.70 C ATOM 1745 O GLY A 116 -8.439 8.747 5.008 1.00 0.75 O ATOM 0 H GLY A 116 -8.398 6.168 7.740 1.00 0.80 H new ATOM 0 HA2 GLY A 116 -8.251 9.050 7.672 1.00 0.80 H new ATOM 0 HA3 GLY A 116 -6.932 7.900 7.767 1.00 0.80 H new ATOM 1749 N PRO A 117 -6.296 8.129 5.330 1.00 0.62 N ATOM 1750 CA PRO A 117 -5.906 8.327 3.930 1.00 0.60 C ATOM 1751 C PRO A 117 -6.733 7.467 2.982 1.00 0.53 C ATOM 1752 O PRO A 117 -7.053 7.882 1.868 1.00 0.59 O ATOM 1753 CB PRO A 117 -4.434 7.898 3.894 1.00 0.57 C ATOM 1754 CG PRO A 117 -3.972 7.967 5.309 1.00 0.70 C ATOM 1755 CD PRO A 117 -5.171 7.655 6.153 1.00 0.59 C ATOM 0 HA PRO A 117 -6.065 9.355 3.606 1.00 0.60 H new ATOM 0 HB2 PRO A 117 -4.327 6.890 3.494 1.00 0.57 H new ATOM 0 HB3 PRO A 117 -3.847 8.558 3.255 1.00 0.57 H new ATOM 0 HG2 PRO A 117 -3.170 7.252 5.492 1.00 0.70 H new ATOM 0 HG3 PRO A 117 -3.578 8.956 5.543 1.00 0.70 H new ATOM 0 HD2 PRO A 117 -5.248 6.588 6.364 1.00 0.59 H new ATOM 0 HD3 PRO A 117 -5.131 8.168 7.114 1.00 0.59 H new ATOM 1763 N ILE A 118 -7.076 6.265 3.435 1.00 0.44 N ATOM 1764 CA ILE A 118 -7.879 5.349 2.638 1.00 0.40 C ATOM 1765 C ILE A 118 -9.364 5.552 2.934 1.00 0.43 C ATOM 1766 O ILE A 118 -9.792 5.482 4.086 1.00 0.50 O ATOM 1767 CB ILE A 118 -7.477 3.879 2.892 1.00 0.33 C ATOM 1768 CG1 ILE A 118 -6.021 3.653 2.473 1.00 0.28 C ATOM 1769 CG2 ILE A 118 -8.402 2.936 2.138 1.00 0.35 C ATOM 1770 CD1 ILE A 118 -5.477 2.297 2.870 1.00 1.25 C ATOM 0 H ILE A 118 -6.809 5.904 4.351 1.00 0.44 H new ATOM 0 HA ILE A 118 -7.693 5.569 1.587 1.00 0.40 H new ATOM 0 HB ILE A 118 -7.571 3.669 3.957 1.00 0.33 H new ATOM 0 HG12 ILE A 118 -5.942 3.764 1.392 1.00 0.28 H new ATOM 0 HG13 ILE A 118 -5.399 4.429 2.919 1.00 0.28 H new ATOM 0 HG21 ILE A 118 -8.104 1.905 2.328 1.00 0.35 H new ATOM 0 HG22 ILE A 118 -9.428 3.086 2.475 1.00 0.35 H new ATOM 0 HG23 ILE A 118 -8.338 3.141 1.069 1.00 0.35 H new ATOM 0 HD11 ILE A 118 -4.442 2.210 2.540 1.00 1.25 H new ATOM 0 HD12 ILE A 118 -5.523 2.190 3.954 1.00 1.25 H new ATOM 0 HD13 ILE A 118 -6.074 1.514 2.402 1.00 1.25 H new ATOM 1782 N GLY A 119 -10.140 5.811 1.880 1.00 0.43 N ATOM 1783 CA GLY A 119 -11.571 6.044 2.027 1.00 0.48 C ATOM 1784 C GLY A 119 -12.258 5.039 2.940 1.00 0.45 C ATOM 1785 O GLY A 119 -11.774 3.918 3.101 1.00 0.40 O ATOM 0 H GLY A 119 -9.800 5.864 0.920 1.00 0.43 H new ATOM 0 HA2 GLY A 119 -11.729 7.048 2.421 1.00 0.48 H new ATOM 0 HA3 GLY A 119 -12.040 6.010 1.044 1.00 0.48 H new ATOM 1789 N PRO A 120 -13.404 5.412 3.553 1.00 0.52 N ATOM 1790 CA PRO A 120 -14.139 4.516 4.452 1.00 0.56 C ATOM 1791 C PRO A 120 -14.625 3.269 3.722 1.00 0.51 C ATOM 1792 O PRO A 120 -15.236 3.365 2.659 1.00 0.48 O ATOM 1793 CB PRO A 120 -15.329 5.361 4.926 1.00 0.64 C ATOM 1794 CG PRO A 120 -15.460 6.455 3.922 1.00 0.67 C ATOM 1795 CD PRO A 120 -14.071 6.718 3.406 1.00 0.59 C ATOM 0 HA PRO A 120 -13.518 4.156 5.272 1.00 0.56 H new ATOM 0 HB2 PRO A 120 -16.239 4.764 4.978 1.00 0.64 H new ATOM 0 HB3 PRO A 120 -15.154 5.762 5.924 1.00 0.64 H new ATOM 0 HG2 PRO A 120 -16.128 6.162 3.112 1.00 0.67 H new ATOM 0 HG3 PRO A 120 -15.883 7.351 4.376 1.00 0.67 H new ATOM 0 HD2 PRO A 120 -14.083 7.049 2.368 1.00 0.59 H new ATOM 0 HD3 PRO A 120 -13.568 7.494 3.982 1.00 0.59 H new ATOM 1803 N ASN A 121 -14.369 2.104 4.310 1.00 0.55 N ATOM 1804 CA ASN A 121 -14.749 0.830 3.703 1.00 0.58 C ATOM 1805 C ASN A 121 -14.320 0.798 2.240 1.00 0.49 C ATOM 1806 O ASN A 121 -15.002 0.227 1.391 1.00 0.53 O ATOM 1807 CB ASN A 121 -16.262 0.614 3.796 1.00 0.68 C ATOM 1808 CG ASN A 121 -16.841 1.085 5.111 1.00 0.79 C ATOM 1809 OD1 ASN A 121 -16.964 0.314 6.063 1.00 1.12 O ATOM 1810 ND2 ASN A 121 -17.214 2.357 5.164 1.00 0.67 N ATOM 0 H ASN A 121 -13.898 2.015 5.210 1.00 0.55 H new ATOM 0 HA ASN A 121 -14.246 0.031 4.247 1.00 0.58 H new ATOM 0 HB2 ASN A 121 -16.751 1.144 2.978 1.00 0.68 H new ATOM 0 HB3 ASN A 121 -16.482 -0.446 3.666 1.00 0.68 H new ATOM 0 HD21 ASN A 121 -17.622 2.734 6.020 1.00 0.67 H new ATOM 0 HD22 ASN A 121 -17.092 2.958 4.349 1.00 0.67 H new ATOM 1817 N GLU A 122 -13.180 1.412 1.954 1.00 0.40 N ATOM 1818 CA GLU A 122 -12.658 1.451 0.596 1.00 0.35 C ATOM 1819 C GLU A 122 -11.341 0.701 0.500 1.00 0.31 C ATOM 1820 O GLU A 122 -10.468 0.850 1.354 1.00 0.33 O ATOM 1821 CB GLU A 122 -12.473 2.895 0.130 1.00 0.35 C ATOM 1822 CG GLU A 122 -13.763 3.695 0.113 1.00 1.09 C ATOM 1823 CD GLU A 122 -13.778 4.763 -0.962 1.00 1.24 C ATOM 1824 OE1 GLU A 122 -14.221 4.461 -2.090 1.00 1.60 O ATOM 1825 OE2 GLU A 122 -13.351 5.901 -0.677 1.00 1.73 O ATOM 0 H GLU A 122 -12.600 1.889 2.644 1.00 0.40 H new ATOM 0 HA GLU A 122 -13.383 0.963 -0.055 1.00 0.35 H new ATOM 0 HB2 GLU A 122 -11.756 3.391 0.784 1.00 0.35 H new ATOM 0 HB3 GLU A 122 -12.043 2.893 -0.871 1.00 0.35 H new ATOM 0 HG2 GLU A 122 -14.603 3.018 -0.042 1.00 1.09 H new ATOM 0 HG3 GLU A 122 -13.907 4.164 1.086 1.00 1.09 H new ATOM 1832 N THR A 123 -11.201 -0.107 -0.540 1.00 0.26 N ATOM 1833 CA THR A 123 -9.976 -0.857 -0.744 1.00 0.24 C ATOM 1834 C THR A 123 -9.069 -0.100 -1.699 1.00 0.22 C ATOM 1835 O THR A 123 -9.493 0.312 -2.776 1.00 0.24 O ATOM 1836 CB THR A 123 -10.247 -2.269 -1.291 1.00 0.25 C ATOM 1837 OG1 THR A 123 -11.071 -2.998 -0.373 1.00 0.29 O ATOM 1838 CG2 THR A 123 -8.940 -3.016 -1.505 1.00 0.24 C ATOM 0 H THR A 123 -11.917 -0.258 -1.251 1.00 0.26 H new ATOM 0 HA THR A 123 -9.490 -0.969 0.225 1.00 0.24 H new ATOM 0 HB THR A 123 -10.762 -2.177 -2.247 1.00 0.25 H new ATOM 0 HG1 THR A 123 -10.518 -3.346 0.358 1.00 0.29 H new ATOM 0 HG21 THR A 123 -9.150 -4.013 -1.892 1.00 0.24 H new ATOM 0 HG22 THR A 123 -8.323 -2.472 -2.220 1.00 0.24 H new ATOM 0 HG23 THR A 123 -8.409 -3.099 -0.557 1.00 0.24 H new ATOM 1846 N LEU A 124 -7.824 0.081 -1.304 1.00 0.20 N ATOM 1847 CA LEU A 124 -6.876 0.817 -2.122 1.00 0.19 C ATOM 1848 C LEU A 124 -5.712 -0.063 -2.557 1.00 0.17 C ATOM 1849 O LEU A 124 -5.330 -1.005 -1.861 1.00 0.18 O ATOM 1850 CB LEU A 124 -6.358 2.023 -1.340 1.00 0.23 C ATOM 1851 CG LEU A 124 -6.556 3.372 -2.027 1.00 0.47 C ATOM 1852 CD1 LEU A 124 -6.854 4.452 -1.001 1.00 1.15 C ATOM 1853 CD2 LEU A 124 -5.325 3.733 -2.841 1.00 1.47 C ATOM 0 H LEU A 124 -7.445 -0.270 -0.425 1.00 0.20 H new ATOM 0 HA LEU A 124 -7.390 1.154 -3.022 1.00 0.19 H new ATOM 0 HB2 LEU A 124 -6.856 2.049 -0.371 1.00 0.23 H new ATOM 0 HB3 LEU A 124 -5.294 1.883 -1.148 1.00 0.23 H new ATOM 0 HG LEU A 124 -7.408 3.298 -2.703 1.00 0.47 H new ATOM 0 HD11 LEU A 124 -6.992 5.407 -1.508 1.00 1.15 H new ATOM 0 HD12 LEU A 124 -7.762 4.195 -0.456 1.00 1.15 H new ATOM 0 HD13 LEU A 124 -6.021 4.529 -0.302 1.00 1.15 H new ATOM 0 HD21 LEU A 124 -5.479 4.697 -3.326 1.00 1.47 H new ATOM 0 HD22 LEU A 124 -4.458 3.792 -2.183 1.00 1.47 H new ATOM 0 HD23 LEU A 124 -5.153 2.969 -3.599 1.00 1.47 H new ATOM 1865 N ILE A 125 -5.156 0.256 -3.718 1.00 0.15 N ATOM 1866 CA ILE A 125 -4.023 -0.476 -4.260 1.00 0.14 C ATOM 1867 C ILE A 125 -2.793 0.416 -4.293 1.00 0.13 C ATOM 1868 O ILE A 125 -2.884 1.603 -4.606 1.00 0.16 O ATOM 1869 CB ILE A 125 -4.303 -0.977 -5.690 1.00 0.14 C ATOM 1870 CG1 ILE A 125 -5.597 -1.786 -5.729 1.00 0.17 C ATOM 1871 CG2 ILE A 125 -3.137 -1.810 -6.201 1.00 0.17 C ATOM 1872 CD1 ILE A 125 -6.849 -0.937 -5.792 1.00 0.20 C ATOM 0 H ILE A 125 -5.476 1.025 -4.306 1.00 0.15 H new ATOM 0 HA ILE A 125 -3.853 -1.336 -3.612 1.00 0.14 H new ATOM 0 HB ILE A 125 -4.419 -0.111 -6.342 1.00 0.14 H new ATOM 0 HG12 ILE A 125 -5.574 -2.448 -6.595 1.00 0.17 H new ATOM 0 HG13 ILE A 125 -5.644 -2.421 -4.844 1.00 0.17 H new ATOM 0 HG21 ILE A 125 -3.352 -2.155 -7.212 1.00 0.17 H new ATOM 0 HG22 ILE A 125 -2.232 -1.202 -6.210 1.00 0.17 H new ATOM 0 HG23 ILE A 125 -2.990 -2.670 -5.547 1.00 0.17 H new ATOM 0 HD11 ILE A 125 -7.726 -1.584 -5.817 1.00 0.20 H new ATOM 0 HD12 ILE A 125 -6.897 -0.294 -4.913 1.00 0.20 H new ATOM 0 HD13 ILE A 125 -6.826 -0.321 -6.691 1.00 0.20 H new ATOM 1884 N PHE A 126 -1.646 -0.161 -3.967 1.00 0.13 N ATOM 1885 CA PHE A 126 -0.403 0.590 -3.947 1.00 0.14 C ATOM 1886 C PHE A 126 0.702 -0.153 -4.692 1.00 0.14 C ATOM 1887 O PHE A 126 0.914 -1.347 -4.483 1.00 0.16 O ATOM 1888 CB PHE A 126 0.022 0.850 -2.499 1.00 0.16 C ATOM 1889 CG PHE A 126 -1.015 1.571 -1.685 1.00 0.16 C ATOM 1890 CD1 PHE A 126 -1.253 2.923 -1.877 1.00 0.19 C ATOM 1891 CD2 PHE A 126 -1.749 0.896 -0.721 1.00 0.18 C ATOM 1892 CE1 PHE A 126 -2.200 3.587 -1.123 1.00 0.23 C ATOM 1893 CE2 PHE A 126 -2.697 1.557 0.038 1.00 0.22 C ATOM 1894 CZ PHE A 126 -2.922 2.905 -0.162 1.00 0.24 C ATOM 0 H PHE A 126 -1.552 -1.144 -3.714 1.00 0.13 H new ATOM 0 HA PHE A 126 -0.569 1.541 -4.453 1.00 0.14 H new ATOM 0 HB2 PHE A 126 0.250 -0.102 -2.020 1.00 0.16 H new ATOM 0 HB3 PHE A 126 0.942 1.435 -2.499 1.00 0.16 H new ATOM 0 HD1 PHE A 126 -0.691 3.463 -2.625 1.00 0.19 H new ATOM 0 HD2 PHE A 126 -1.578 -0.158 -0.561 1.00 0.18 H new ATOM 0 HE1 PHE A 126 -2.377 4.640 -1.284 1.00 0.23 H new ATOM 0 HE2 PHE A 126 -3.261 1.020 0.786 1.00 0.22 H new ATOM 0 HZ PHE A 126 -3.660 3.425 0.431 1.00 0.24 H new ATOM 1904 N LYS A 127 1.398 0.568 -5.564 1.00 0.14 N ATOM 1905 CA LYS A 127 2.498 -0.002 -6.331 1.00 0.15 C ATOM 1906 C LYS A 127 3.809 0.580 -5.831 1.00 0.16 C ATOM 1907 O LYS A 127 4.153 1.715 -6.152 1.00 0.19 O ATOM 1908 CB LYS A 127 2.321 0.301 -7.821 1.00 0.18 C ATOM 1909 CG LYS A 127 3.415 -0.284 -8.702 1.00 0.89 C ATOM 1910 CD LYS A 127 3.326 -1.799 -8.772 1.00 1.23 C ATOM 1911 CE LYS A 127 4.371 -2.375 -9.714 1.00 1.62 C ATOM 1912 NZ LYS A 127 4.243 -1.823 -11.091 1.00 2.28 N ATOM 0 H LYS A 127 1.218 1.553 -5.757 1.00 0.14 H new ATOM 0 HA LYS A 127 2.506 -1.084 -6.200 1.00 0.15 H new ATOM 0 HB2 LYS A 127 1.357 -0.088 -8.149 1.00 0.18 H new ATOM 0 HB3 LYS A 127 2.294 1.382 -7.962 1.00 0.18 H new ATOM 0 HG2 LYS A 127 3.336 0.133 -9.706 1.00 0.89 H new ATOM 0 HG3 LYS A 127 4.391 0.006 -8.312 1.00 0.89 H new ATOM 0 HD2 LYS A 127 3.462 -2.219 -7.775 1.00 1.23 H new ATOM 0 HD3 LYS A 127 2.331 -2.091 -9.108 1.00 1.23 H new ATOM 0 HE2 LYS A 127 5.367 -2.158 -9.327 1.00 1.62 H new ATOM 0 HE3 LYS A 127 4.271 -3.460 -9.747 1.00 1.62 H new ATOM 0 HZ1 LYS A 127 4.775 -2.421 -11.755 1.00 2.28 H new ATOM 0 HZ2 LYS A 127 3.240 -1.807 -11.367 1.00 2.28 H new ATOM 0 HZ3 LYS A 127 4.624 -0.856 -11.114 1.00 2.28 H new ATOM 1926 N ILE A 128 4.552 -0.204 -5.061 1.00 0.16 N ATOM 1927 CA ILE A 128 5.804 0.274 -4.494 1.00 0.19 C ATOM 1928 C ILE A 128 7.022 -0.258 -5.233 1.00 0.18 C ATOM 1929 O ILE A 128 7.215 -1.467 -5.356 1.00 0.22 O ATOM 1930 CB ILE A 128 5.926 -0.113 -3.010 1.00 0.23 C ATOM 1931 CG1 ILE A 128 4.604 0.145 -2.283 1.00 0.31 C ATOM 1932 CG2 ILE A 128 7.057 0.667 -2.358 1.00 0.27 C ATOM 1933 CD1 ILE A 128 4.586 -0.364 -0.857 1.00 0.82 C ATOM 0 H ILE A 128 4.312 -1.165 -4.817 1.00 0.16 H new ATOM 0 HA ILE A 128 5.781 1.359 -4.598 1.00 0.19 H new ATOM 0 HB ILE A 128 6.153 -1.177 -2.941 1.00 0.23 H new ATOM 0 HG12 ILE A 128 4.404 1.216 -2.280 1.00 0.31 H new ATOM 0 HG13 ILE A 128 3.795 -0.329 -2.839 1.00 0.31 H new ATOM 0 HG21 ILE A 128 7.135 0.386 -1.308 1.00 0.27 H new ATOM 0 HG22 ILE A 128 7.995 0.440 -2.865 1.00 0.27 H new ATOM 0 HG23 ILE A 128 6.853 1.735 -2.433 1.00 0.27 H new ATOM 0 HD11 ILE A 128 3.618 -0.146 -0.405 1.00 0.82 H new ATOM 0 HD12 ILE A 128 4.754 -1.441 -0.853 1.00 0.82 H new ATOM 0 HD13 ILE A 128 5.373 0.128 -0.285 1.00 0.82 H new ATOM 1945 N HIS A 129 7.836 0.668 -5.722 1.00 0.15 N ATOM 1946 CA HIS A 129 9.064 0.324 -6.418 1.00 0.15 C ATOM 1947 C HIS A 129 10.243 0.898 -5.643 1.00 0.15 C ATOM 1948 O HIS A 129 10.551 2.085 -5.750 1.00 0.15 O ATOM 1949 CB HIS A 129 9.048 0.867 -7.849 1.00 0.15 C ATOM 1950 CG HIS A 129 9.589 -0.101 -8.857 1.00 0.17 C ATOM 1951 ND1 HIS A 129 10.621 -0.975 -8.778 1.00 0.22 N flip ATOM 1952 CD2 HIS A 129 9.050 -0.263 -10.115 1.00 0.20 C flip ATOM 1953 CE1 HIS A 129 10.684 -1.646 -9.976 1.00 0.26 C flip ATOM 1954 NE2 HIS A 129 9.724 -1.195 -10.764 1.00 0.26 N flip ATOM 0 H HIS A 129 7.664 1.671 -5.647 1.00 0.15 H new ATOM 0 HA HIS A 129 9.155 -0.761 -6.477 1.00 0.15 H new ATOM 0 HB2 HIS A 129 8.025 1.128 -8.119 1.00 0.15 H new ATOM 0 HB3 HIS A 129 9.633 1.786 -7.888 1.00 0.15 H new ATOM 0 HD2 HIS A 129 8.208 0.287 -10.509 1.00 0.20 H new ATOM 0 HE1 HIS A 129 11.399 -2.414 -10.231 1.00 0.26 H new ATOM 0 HE2 HIS A 129 9.535 -1.513 -11.714 1.00 0.26 H new ATOM 1963 N LEU A 130 10.901 0.048 -4.866 1.00 0.16 N ATOM 1964 CA LEU A 130 12.022 0.480 -4.040 1.00 0.17 C ATOM 1965 C LEU A 130 13.301 0.626 -4.850 1.00 0.17 C ATOM 1966 O LEU A 130 13.729 -0.302 -5.531 1.00 0.25 O ATOM 1967 CB LEU A 130 12.253 -0.509 -2.895 1.00 0.22 C ATOM 1968 CG LEU A 130 12.659 0.122 -1.560 1.00 0.46 C ATOM 1969 CD1 LEU A 130 12.864 -0.949 -0.504 1.00 1.36 C ATOM 1970 CD2 LEU A 130 13.910 0.979 -1.712 1.00 1.41 C ATOM 0 H LEU A 130 10.678 -0.945 -4.790 1.00 0.16 H new ATOM 0 HA LEU A 130 11.764 1.458 -3.634 1.00 0.17 H new ATOM 0 HB2 LEU A 130 11.340 -1.085 -2.744 1.00 0.22 H new ATOM 0 HB3 LEU A 130 13.028 -1.214 -3.196 1.00 0.22 H new ATOM 0 HG LEU A 130 11.848 0.774 -1.236 1.00 0.46 H new ATOM 0 HD11 LEU A 130 13.152 -0.481 0.437 1.00 1.36 H new ATOM 0 HD12 LEU A 130 11.937 -1.505 -0.364 1.00 1.36 H new ATOM 0 HD13 LEU A 130 13.651 -1.631 -0.826 1.00 1.36 H new ATOM 0 HD21 LEU A 130 14.173 1.413 -0.747 1.00 1.41 H new ATOM 0 HD22 LEU A 130 14.734 0.360 -2.068 1.00 1.41 H new ATOM 0 HD23 LEU A 130 13.719 1.777 -2.429 1.00 1.41 H new ATOM 1982 N ILE A 131 13.891 1.817 -4.785 1.00 0.13 N ATOM 1983 CA ILE A 131 15.140 2.089 -5.481 1.00 0.15 C ATOM 1984 C ILE A 131 16.323 1.860 -4.544 1.00 0.17 C ATOM 1985 O ILE A 131 17.274 1.157 -4.887 1.00 0.22 O ATOM 1986 CB ILE A 131 15.186 3.535 -6.018 1.00 0.18 C ATOM 1987 CG1 ILE A 131 13.919 3.854 -6.820 1.00 0.16 C ATOM 1988 CG2 ILE A 131 16.429 3.749 -6.873 1.00 0.26 C ATOM 1989 CD1 ILE A 131 13.716 2.962 -8.029 1.00 1.17 C ATOM 0 H ILE A 131 13.522 2.608 -4.257 1.00 0.13 H new ATOM 0 HA ILE A 131 15.201 1.406 -6.328 1.00 0.15 H new ATOM 0 HB ILE A 131 15.233 4.215 -5.167 1.00 0.18 H new ATOM 0 HG12 ILE A 131 13.053 3.763 -6.164 1.00 0.16 H new ATOM 0 HG13 ILE A 131 13.961 4.892 -7.150 1.00 0.16 H new ATOM 0 HG21 ILE A 131 16.444 4.774 -7.243 1.00 0.26 H new ATOM 0 HG22 ILE A 131 17.320 3.567 -6.272 1.00 0.26 H new ATOM 0 HG23 ILE A 131 16.413 3.059 -7.717 1.00 0.26 H new ATOM 0 HD11 ILE A 131 12.799 3.250 -8.544 1.00 1.17 H new ATOM 0 HD12 ILE A 131 14.562 3.070 -8.707 1.00 1.17 H new ATOM 0 HD13 ILE A 131 13.640 1.924 -7.706 1.00 1.17 H new ATOM 2001 N SER A 132 16.252 2.462 -3.360 1.00 0.17 N ATOM 2002 CA SER A 132 17.300 2.321 -2.360 1.00 0.20 C ATOM 2003 C SER A 132 16.795 2.783 -0.998 1.00 0.22 C ATOM 2004 O SER A 132 15.762 3.447 -0.904 1.00 0.23 O ATOM 2005 CB SER A 132 18.543 3.114 -2.762 1.00 0.23 C ATOM 2006 OG SER A 132 18.353 4.503 -2.561 1.00 1.17 O ATOM 0 H SER A 132 15.474 3.055 -3.071 1.00 0.17 H new ATOM 0 HA SER A 132 17.573 1.268 -2.295 1.00 0.20 H new ATOM 0 HB2 SER A 132 19.399 2.773 -2.179 1.00 0.23 H new ATOM 0 HB3 SER A 132 18.775 2.924 -3.810 1.00 0.23 H new ATOM 0 HG SER A 132 19.164 4.986 -2.825 1.00 1.17 H new ATOM 2012 N VAL A 133 17.525 2.432 0.054 1.00 0.25 N ATOM 2013 CA VAL A 133 17.141 2.807 1.409 1.00 0.29 C ATOM 2014 C VAL A 133 18.311 3.425 2.165 1.00 0.41 C ATOM 2015 O VAL A 133 19.332 2.774 2.388 1.00 0.57 O ATOM 2016 CB VAL A 133 16.625 1.589 2.193 1.00 0.45 C ATOM 2017 CG1 VAL A 133 16.315 1.966 3.636 1.00 1.16 C ATOM 2018 CG2 VAL A 133 15.399 1.001 1.512 1.00 1.43 C ATOM 0 H VAL A 133 18.386 1.888 -0.005 1.00 0.25 H new ATOM 0 HA VAL A 133 16.344 3.545 1.322 1.00 0.29 H new ATOM 0 HB VAL A 133 17.408 0.831 2.205 1.00 0.45 H new ATOM 0 HG11 VAL A 133 15.952 1.089 4.171 1.00 1.16 H new ATOM 0 HG12 VAL A 133 17.220 2.336 4.118 1.00 1.16 H new ATOM 0 HG13 VAL A 133 15.551 2.744 3.653 1.00 1.16 H new ATOM 0 HG21 VAL A 133 15.046 0.140 2.079 1.00 1.43 H new ATOM 0 HG22 VAL A 133 14.612 1.754 1.467 1.00 1.43 H new ATOM 0 HG23 VAL A 133 15.660 0.688 0.501 1.00 1.43 H new ATOM 2028 N LYS A 134 18.149 4.686 2.558 1.00 0.41 N ATOM 2029 CA LYS A 134 19.185 5.401 3.294 1.00 0.58 C ATOM 2030 C LYS A 134 20.527 5.292 2.579 1.00 0.68 C ATOM 2031 O LYS A 134 21.486 4.735 3.114 1.00 1.28 O ATOM 2032 CB LYS A 134 19.295 4.849 4.718 1.00 0.69 C ATOM 2033 CG LYS A 134 19.431 5.924 5.785 1.00 1.69 C ATOM 2034 CD LYS A 134 20.726 6.709 5.631 1.00 1.90 C ATOM 2035 CE LYS A 134 20.829 7.820 6.665 1.00 2.62 C ATOM 2036 NZ LYS A 134 20.824 7.287 8.054 1.00 3.08 N ATOM 0 H LYS A 134 17.308 5.234 2.378 1.00 0.41 H new ATOM 0 HA LYS A 134 18.909 6.454 3.344 1.00 0.58 H new ATOM 0 HB2 LYS A 134 18.412 4.247 4.933 1.00 0.69 H new ATOM 0 HB3 LYS A 134 20.157 4.184 4.774 1.00 0.69 H new ATOM 0 HG2 LYS A 134 18.583 6.606 5.725 1.00 1.69 H new ATOM 0 HG3 LYS A 134 19.400 5.463 6.772 1.00 1.69 H new ATOM 0 HD2 LYS A 134 21.576 6.035 5.734 1.00 1.90 H new ATOM 0 HD3 LYS A 134 20.777 7.136 4.630 1.00 1.90 H new ATOM 0 HE2 LYS A 134 21.744 8.388 6.497 1.00 2.62 H new ATOM 0 HE3 LYS A 134 19.996 8.512 6.539 1.00 2.62 H new ATOM 0 HZ1 LYS A 134 21.097 8.041 8.716 1.00 3.08 H new ATOM 0 HZ2 LYS A 134 19.871 6.946 8.292 1.00 3.08 H new ATOM 0 HZ3 LYS A 134 21.501 6.501 8.126 1.00 3.08 H new ATOM 2050 N LYS A 135 20.580 5.826 1.364 1.00 0.95 N ATOM 2051 CA LYS A 135 21.793 5.791 0.561 1.00 1.05 C ATOM 2052 C LYS A 135 22.229 4.352 0.323 1.00 0.97 C ATOM 2053 O LYS A 135 23.411 4.021 0.430 1.00 0.99 O ATOM 2054 CB LYS A 135 22.906 6.581 1.242 1.00 1.19 C ATOM 2055 CG LYS A 135 22.652 8.078 1.275 1.00 1.67 C ATOM 2056 CD LYS A 135 23.833 8.822 1.867 1.00 2.16 C ATOM 2057 CE LYS A 135 23.574 10.320 1.935 1.00 2.86 C ATOM 2058 NZ LYS A 135 23.426 10.921 0.579 1.00 3.16 N ATOM 0 H LYS A 135 19.792 6.290 0.913 1.00 0.95 H new ATOM 0 HA LYS A 135 21.584 6.253 -0.404 1.00 1.05 H new ATOM 0 HB2 LYS A 135 23.026 6.218 2.263 1.00 1.19 H new ATOM 0 HB3 LYS A 135 23.846 6.391 0.723 1.00 1.19 H new ATOM 0 HG2 LYS A 135 22.461 8.439 0.265 1.00 1.67 H new ATOM 0 HG3 LYS A 135 21.757 8.285 1.862 1.00 1.67 H new ATOM 0 HD2 LYS A 135 24.039 8.442 2.868 1.00 2.16 H new ATOM 0 HD3 LYS A 135 24.722 8.633 1.265 1.00 2.16 H new ATOM 0 HE2 LYS A 135 22.670 10.506 2.515 1.00 2.86 H new ATOM 0 HE3 LYS A 135 24.396 10.807 2.460 1.00 2.86 H new ATOM 0 HZ1 LYS A 135 23.404 11.958 0.659 1.00 3.16 H new ATOM 0 HZ2 LYS A 135 24.230 10.637 -0.016 1.00 3.16 H new ATOM 0 HZ3 LYS A 135 22.541 10.588 0.146 1.00 3.16 H new ATOM 2072 N SER A 136 21.254 3.505 0.004 1.00 0.99 N ATOM 2073 CA SER A 136 21.505 2.091 -0.254 1.00 0.96 C ATOM 2074 C SER A 136 22.326 1.466 0.871 1.00 1.03 C ATOM 2075 O SER A 136 23.114 0.547 0.646 1.00 1.31 O ATOM 2076 CB SER A 136 22.220 1.909 -1.596 1.00 0.95 C ATOM 2077 OG SER A 136 23.536 2.432 -1.554 1.00 1.19 O ATOM 0 H SER A 136 20.275 3.777 -0.082 1.00 0.99 H new ATOM 0 HA SER A 136 20.542 1.581 -0.297 1.00 0.96 H new ATOM 0 HB2 SER A 136 22.255 0.850 -1.851 1.00 0.95 H new ATOM 0 HB3 SER A 136 21.653 2.407 -2.383 1.00 0.95 H new ATOM 0 HG SER A 136 23.722 2.777 -0.656 1.00 1.19 H new ATOM 2083 N SER A 137 22.129 1.973 2.086 1.00 0.91 N ATOM 2084 CA SER A 137 22.848 1.473 3.251 1.00 1.03 C ATOM 2085 C SER A 137 21.900 1.274 4.430 1.00 1.82 C ATOM 2086 O SER A 137 21.374 0.151 4.582 1.00 2.51 O ATOM 2087 CB SER A 137 23.968 2.442 3.638 1.00 1.57 C ATOM 2088 OG SER A 137 24.660 1.989 4.788 1.00 2.37 O ATOM 2089 OXT SER A 137 21.689 2.243 5.190 1.00 2.53 O ATOM 0 H SER A 137 21.476 2.731 2.287 1.00 0.91 H new ATOM 0 HA SER A 137 23.285 0.508 2.993 1.00 1.03 H new ATOM 0 HB2 SER A 137 24.666 2.546 2.807 1.00 1.57 H new ATOM 0 HB3 SER A 137 23.549 3.430 3.828 1.00 1.57 H new ATOM 0 HG SER A 137 25.371 2.625 5.013 1.00 2.37 H new TER 2095 SER A 137