USER MOD reduce.3.24.130724 H: found=0, std=0, add=790, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 791 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 Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -0.321 X(o=-0.32,f=0) USER MOD Single : A 54 MET CE :methyl -163:sc= -0.0753 (180deg=-0.466) USER MOD Single : A 56 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00711) USER MOD Single : A 57 LYS NZ :NH3+ -152:sc= 0.741 (180deg=-0.73) USER MOD Single : A 58 CYS SG : rot 3:sc= 0.406 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -157:sc= 1.22 (180deg=0.66) USER MOD Single : A 63 ASN : amide:sc= -2.3! C(o=-2.3!,f=-11!) USER MOD Single : A 65 LYS NZ :NH3+ 162:sc= 1.22 (180deg=1.01) USER MOD Single : A 74 CYS SG : rot 68:sc= -0.756 USER MOD Single : A 75 LYS NZ :NH3+ 168:sc= 1.14 (180deg=0.953) USER MOD Single : A 76 MET CE :methyl 165:sc= -3.49! (180deg=-4!) USER MOD Single : A 77 GLN : amide:sc= -1.34 K(o=-1.3,f=-2.2!) USER MOD Single : A 78 THR OG1 : rot -38:sc= 1.2 USER MOD Single : A 81 HIS : no HD1:sc= -1.97! K(o=-2!,f=-0.022) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -0.584! C(o=-0.58!,f=-11!) USER MOD Single : A 92 GLN : amide:sc= -5.48! C(o=-5.5!,f=-5.5!) USER MOD Single : A 93 GLN : amide:sc= -0.226 X(o=-0.23,f=-0.18) USER MOD Single : A 96 HIS : no HD1:sc= -9.7! C(o=-9.7!,f=-12!) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 56:sc= 1.2 USER MOD Single : A 106 CYS SG : rot 167:sc= -0.438 USER MOD Single : A 107 ASN : amide:sc= -0.0537 X(o=-0.054,f=-0.39) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 TYR OH : rot -158:sc= 1.24 USER MOD Single : A 126 TYR OH : rot -135:sc= -2.3! USER MOD Single : A 128 ASN : amide:sc= -3.29! K(o=-3.3!,f=-0.69) USER MOD Single : A 131 CYS SG : rot 132:sc= 0.615 USER MOD Single : A 132 THR OG1 : rot 84:sc= 1.28 USER MOD Single : A 135 LYS NZ :NH3+ -136:sc= -0.0942 (180deg=-0.67) USER MOD Single : A 137 HIS : no HD1:sc= -2.04 K(o=-2,f=-0.12) USER MOD Single : A 138 SER OG : rot 24:sc= 1.25 USER MOD Single : A 140 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0908) USER MOD Single : A 141 LYS NZ :NH3+ 156:sc= 1.27 (180deg=1.2) USER MOD Single : A 142 LYS NZ :NH3+ 164:sc= -0.0461 (180deg=-0.389) USER MOD Single : A 144 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 51 -29.129 1.392 -3.365 1.00 11.48 N ATOM 2 CA GLY A 51 -28.247 0.372 -3.986 1.00 11.08 C ATOM 3 C GLY A 51 -26.878 0.338 -3.340 1.00 10.43 C ATOM 4 O GLY A 51 -26.734 0.716 -2.177 1.00 10.45 O ATOM 0 HA2 GLY A 51 -28.712 -0.610 -3.901 1.00 11.08 H new ATOM 0 HA3 GLY A 51 -28.141 0.584 -5.050 1.00 11.08 H new ATOM 10 N SER A 52 -25.882 -0.131 -4.088 1.00 10.08 N ATOM 11 CA SER A 52 -24.506 -0.208 -3.603 1.00 9.69 C ATOM 12 C SER A 52 -24.396 -1.169 -2.420 1.00 9.02 C ATOM 13 O SER A 52 -23.665 -0.921 -1.458 1.00 8.98 O ATOM 14 CB SER A 52 -23.987 1.184 -3.226 1.00 10.27 C ATOM 15 OG SER A 52 -24.039 2.056 -4.343 1.00 10.53 O ATOM 0 H SER A 52 -26.005 -0.467 -5.043 1.00 10.08 H new ATOM 0 HA SER A 52 -23.884 -0.597 -4.409 1.00 9.69 H new ATOM 0 HB2 SER A 52 -24.585 1.592 -2.411 1.00 10.27 H new ATOM 0 HB3 SER A 52 -22.962 1.110 -2.863 1.00 10.27 H new ATOM 0 HG SER A 52 -23.706 2.940 -4.083 1.00 10.53 H new ATOM 21 N HIS A 53 -25.127 -2.272 -2.506 1.00 8.73 N ATOM 22 CA HIS A 53 -25.102 -3.293 -1.468 1.00 8.32 C ATOM 23 C HIS A 53 -23.935 -4.239 -1.698 1.00 7.73 C ATOM 24 O HIS A 53 -23.954 -5.048 -2.631 1.00 7.87 O ATOM 25 CB HIS A 53 -26.413 -4.089 -1.449 1.00 8.73 C ATOM 26 CG HIS A 53 -27.628 -3.262 -1.160 1.00 9.23 C ATOM 27 ND1 HIS A 53 -28.154 -3.170 0.107 1.00 9.69 N ATOM 28 CD2 HIS A 53 -28.381 -2.519 -2.005 1.00 9.62 C ATOM 29 CE1 HIS A 53 -29.206 -2.373 0.004 1.00 10.29 C ATOM 30 NE2 HIS A 53 -29.380 -1.956 -1.257 1.00 10.28 N ATOM 0 H HIS A 53 -25.747 -2.483 -3.288 1.00 8.73 H new ATOM 0 HA HIS A 53 -24.984 -2.795 -0.505 1.00 8.32 H new ATOM 0 HB2 HIS A 53 -26.542 -4.579 -2.414 1.00 8.73 H new ATOM 0 HB3 HIS A 53 -26.336 -4.877 -0.699 1.00 8.73 H new ATOM 0 HD2 HIS A 53 -28.224 -2.394 -3.066 1.00 9.62 H new ATOM 0 HE1 HIS A 53 -29.843 -2.095 0.831 1.00 10.29 H new ATOM 0 HE2 HIS A 53 -30.117 -1.337 -1.596 1.00 10.28 H new ATOM 38 N MET A 54 -22.915 -4.129 -0.859 1.00 7.35 N ATOM 39 CA MET A 54 -21.735 -4.967 -0.982 1.00 7.08 C ATOM 40 C MET A 54 -21.818 -6.129 -0.005 1.00 6.25 C ATOM 41 O MET A 54 -21.970 -7.282 -0.416 1.00 6.50 O ATOM 42 CB MET A 54 -20.459 -4.153 -0.729 1.00 7.61 C ATOM 43 CG MET A 54 -20.271 -2.985 -1.686 1.00 8.34 C ATOM 44 SD MET A 54 -20.157 -3.495 -3.413 1.00 8.78 S ATOM 45 CE MET A 54 -18.665 -4.487 -3.373 1.00 9.55 C ATOM 0 H MET A 54 -22.883 -3.466 -0.085 1.00 7.35 H new ATOM 0 HA MET A 54 -21.695 -5.358 -1.999 1.00 7.08 H new ATOM 0 HB2 MET A 54 -20.479 -3.773 0.292 1.00 7.61 H new ATOM 0 HB3 MET A 54 -19.597 -4.815 -0.806 1.00 7.61 H new ATOM 0 HG2 MET A 54 -21.105 -2.292 -1.572 1.00 8.34 H new ATOM 0 HG3 MET A 54 -19.366 -2.442 -1.413 1.00 8.34 H new ATOM 0 HE1 MET A 54 -18.291 -4.623 -4.388 1.00 9.55 H new ATOM 0 HE2 MET A 54 -17.908 -3.982 -2.772 1.00 9.55 H new ATOM 0 HE3 MET A 54 -18.887 -5.460 -2.935 1.00 9.55 H new ATOM 55 N GLY A 55 -21.749 -5.802 1.287 1.00 5.61 N ATOM 56 CA GLY A 55 -21.785 -6.812 2.336 1.00 5.11 C ATOM 57 C GLY A 55 -20.865 -7.980 2.041 1.00 4.35 C ATOM 58 O GLY A 55 -21.306 -9.130 1.978 1.00 4.69 O ATOM 0 H GLY A 55 -21.668 -4.844 1.628 1.00 5.61 H new ATOM 0 HA2 GLY A 55 -21.499 -6.358 3.285 1.00 5.11 H new ATOM 0 HA3 GLY A 55 -22.806 -7.176 2.452 1.00 5.11 H new ATOM 62 N LYS A 56 -19.585 -7.692 1.876 1.00 3.64 N ATOM 63 CA LYS A 56 -18.647 -8.673 1.361 1.00 3.11 C ATOM 64 C LYS A 56 -17.381 -8.715 2.213 1.00 2.55 C ATOM 65 O LYS A 56 -17.284 -8.022 3.229 1.00 2.86 O ATOM 66 CB LYS A 56 -18.309 -8.317 -0.098 1.00 3.33 C ATOM 67 CG LYS A 56 -17.591 -9.408 -0.889 1.00 3.32 C ATOM 68 CD LYS A 56 -18.412 -10.687 -0.945 1.00 4.10 C ATOM 69 CE LYS A 56 -17.888 -11.648 -2.001 1.00 4.54 C ATOM 70 NZ LYS A 56 -16.483 -12.056 -1.749 1.00 5.01 N ATOM 0 H LYS A 56 -19.172 -6.785 2.092 1.00 3.64 H new ATOM 0 HA LYS A 56 -19.101 -9.663 1.400 1.00 3.11 H new ATOM 0 HB2 LYS A 56 -19.234 -8.065 -0.616 1.00 3.33 H new ATOM 0 HB3 LYS A 56 -17.688 -7.421 -0.101 1.00 3.33 H new ATOM 0 HG2 LYS A 56 -17.395 -9.056 -1.902 1.00 3.32 H new ATOM 0 HG3 LYS A 56 -16.624 -9.615 -0.431 1.00 3.32 H new ATOM 0 HD2 LYS A 56 -18.394 -11.173 0.030 1.00 4.10 H new ATOM 0 HD3 LYS A 56 -19.452 -10.442 -1.160 1.00 4.10 H new ATOM 0 HE2 LYS A 56 -18.522 -12.535 -2.028 1.00 4.54 H new ATOM 0 HE3 LYS A 56 -17.956 -11.178 -2.982 1.00 4.54 H new ATOM 0 HZ1 LYS A 56 -16.189 -12.749 -2.466 1.00 5.01 H new ATOM 0 HZ2 LYS A 56 -15.865 -11.221 -1.800 1.00 5.01 H new ATOM 0 HZ3 LYS A 56 -16.410 -12.484 -0.804 1.00 5.01 H new ATOM 84 N LYS A 57 -16.460 -9.578 1.805 1.00 2.28 N ATOM 85 CA LYS A 57 -15.105 -9.644 2.330 1.00 1.87 C ATOM 86 C LYS A 57 -14.581 -8.251 2.684 1.00 1.72 C ATOM 87 O LYS A 57 -14.444 -7.389 1.821 1.00 2.48 O ATOM 88 CB LYS A 57 -14.253 -10.304 1.256 1.00 1.84 C ATOM 89 CG LYS A 57 -12.796 -10.539 1.604 1.00 2.16 C ATOM 90 CD LYS A 57 -12.145 -11.412 0.537 1.00 2.61 C ATOM 91 CE LYS A 57 -10.681 -11.707 0.825 1.00 3.28 C ATOM 92 NZ LYS A 57 -9.776 -10.635 0.341 1.00 3.67 N ATOM 0 H LYS A 57 -16.642 -10.271 1.079 1.00 2.28 H new ATOM 0 HA LYS A 57 -15.073 -10.221 3.254 1.00 1.87 H new ATOM 0 HB2 LYS A 57 -14.704 -11.264 1.004 1.00 1.84 H new ATOM 0 HB3 LYS A 57 -14.295 -9.687 0.359 1.00 1.84 H new ATOM 0 HG2 LYS A 57 -12.272 -9.586 1.677 1.00 2.16 H new ATOM 0 HG3 LYS A 57 -12.718 -11.021 2.579 1.00 2.16 H new ATOM 0 HD2 LYS A 57 -12.692 -12.352 0.461 1.00 2.61 H new ATOM 0 HD3 LYS A 57 -12.227 -10.916 -0.430 1.00 2.61 H new ATOM 0 HE2 LYS A 57 -10.545 -11.835 1.899 1.00 3.28 H new ATOM 0 HE3 LYS A 57 -10.405 -12.650 0.354 1.00 3.28 H new ATOM 0 HZ1 LYS A 57 -8.845 -11.041 0.117 1.00 3.67 H new ATOM 0 HZ2 LYS A 57 -10.179 -10.201 -0.514 1.00 3.67 H new ATOM 0 HZ3 LYS A 57 -9.669 -9.911 1.080 1.00 3.67 H new ATOM 106 N CYS A 58 -14.312 -8.034 3.961 1.00 1.35 N ATOM 107 CA CYS A 58 -13.916 -6.718 4.437 1.00 1.14 C ATOM 108 C CYS A 58 -12.413 -6.544 4.308 1.00 0.88 C ATOM 109 O CYS A 58 -11.646 -6.879 5.212 1.00 1.38 O ATOM 110 CB CYS A 58 -14.358 -6.524 5.880 1.00 1.36 C ATOM 111 SG CYS A 58 -16.101 -6.919 6.158 1.00 1.88 S ATOM 0 H CYS A 58 -14.360 -8.750 4.686 1.00 1.35 H new ATOM 0 HA CYS A 58 -14.404 -5.960 3.824 1.00 1.14 H new ATOM 0 HB2 CYS A 58 -13.744 -7.150 6.527 1.00 1.36 H new ATOM 0 HB3 CYS A 58 -14.177 -5.489 6.172 1.00 1.36 H new ATOM 0 HG CYS A 58 -16.629 -7.355 5.053 1.00 1.88 H new ATOM 117 N TYR A 59 -12.011 -6.035 3.159 1.00 0.42 N ATOM 118 CA TYR A 59 -10.609 -5.870 2.824 1.00 0.31 C ATOM 119 C TYR A 59 -9.923 -4.820 3.692 1.00 0.30 C ATOM 120 O TYR A 59 -8.710 -4.720 3.669 1.00 0.33 O ATOM 121 CB TYR A 59 -10.482 -5.473 1.354 1.00 0.67 C ATOM 122 CG TYR A 59 -11.556 -6.068 0.469 1.00 1.01 C ATOM 123 CD1 TYR A 59 -11.440 -7.345 -0.060 1.00 1.26 C ATOM 124 CD2 TYR A 59 -12.683 -5.347 0.169 1.00 1.22 C ATOM 125 CE1 TYR A 59 -12.423 -7.879 -0.863 1.00 1.58 C ATOM 126 CE2 TYR A 59 -13.680 -5.866 -0.633 1.00 1.56 C ATOM 127 CZ TYR A 59 -13.508 -7.184 -1.159 1.00 1.66 C ATOM 128 OH TYR A 59 -14.531 -7.667 -1.945 1.00 2.04 O ATOM 0 H TYR A 59 -12.651 -5.723 2.428 1.00 0.42 H new ATOM 0 HA TYR A 59 -10.114 -6.823 3.009 1.00 0.31 H new ATOM 0 HB2 TYR A 59 -10.519 -4.386 1.276 1.00 0.67 H new ATOM 0 HB3 TYR A 59 -9.505 -5.786 0.985 1.00 0.67 H new ATOM 0 HD1 TYR A 59 -10.561 -7.932 0.162 1.00 1.26 H new ATOM 0 HD2 TYR A 59 -12.793 -4.350 0.569 1.00 1.22 H new ATOM 0 HE1 TYR A 59 -12.306 -8.878 -1.256 1.00 1.58 H new ATOM 0 HE2 TYR A 59 -14.566 -5.291 -0.857 1.00 1.56 H new ATOM 0 HH TYR A 59 -15.229 -6.984 -2.029 1.00 2.04 H new ATOM 138 N LYS A 60 -10.695 -4.031 4.436 1.00 0.29 N ATOM 139 CA LYS A 60 -10.125 -2.976 5.283 1.00 0.29 C ATOM 140 C LYS A 60 -9.030 -3.524 6.189 1.00 0.25 C ATOM 141 O LYS A 60 -7.895 -3.052 6.162 1.00 0.26 O ATOM 142 CB LYS A 60 -11.255 -2.336 6.112 1.00 0.37 C ATOM 143 CG LYS A 60 -10.810 -1.302 7.139 1.00 0.57 C ATOM 144 CD LYS A 60 -10.413 -1.953 8.449 1.00 0.43 C ATOM 145 CE LYS A 60 -10.104 -0.920 9.511 1.00 0.76 C ATOM 146 NZ LYS A 60 -9.720 -1.543 10.803 1.00 1.62 N ATOM 0 H LYS A 60 -11.712 -4.098 4.472 1.00 0.29 H new ATOM 0 HA LYS A 60 -9.665 -2.219 4.648 1.00 0.29 H new ATOM 0 HB2 LYS A 60 -11.960 -1.863 5.429 1.00 0.37 H new ATOM 0 HB3 LYS A 60 -11.795 -3.128 6.630 1.00 0.37 H new ATOM 0 HG2 LYS A 60 -9.967 -0.735 6.744 1.00 0.57 H new ATOM 0 HG3 LYS A 60 -11.618 -0.592 7.315 1.00 0.57 H new ATOM 0 HD2 LYS A 60 -11.219 -2.601 8.794 1.00 0.43 H new ATOM 0 HD3 LYS A 60 -9.540 -2.587 8.292 1.00 0.43 H new ATOM 0 HE2 LYS A 60 -9.295 -0.276 9.165 1.00 0.76 H new ATOM 0 HE3 LYS A 60 -10.976 -0.283 9.661 1.00 0.76 H new ATOM 0 HZ1 LYS A 60 -9.894 -0.871 11.578 1.00 1.62 H new ATOM 0 HZ2 LYS A 60 -10.286 -2.402 10.956 1.00 1.62 H new ATOM 0 HZ3 LYS A 60 -8.711 -1.793 10.781 1.00 1.62 H new ATOM 160 N LEU A 61 -9.376 -4.532 6.972 1.00 0.25 N ATOM 161 CA LEU A 61 -8.416 -5.167 7.841 1.00 0.25 C ATOM 162 C LEU A 61 -7.291 -5.797 7.055 1.00 0.26 C ATOM 163 O LEU A 61 -6.119 -5.628 7.390 1.00 0.30 O ATOM 164 CB LEU A 61 -9.086 -6.216 8.700 1.00 0.30 C ATOM 165 CG LEU A 61 -9.161 -5.854 10.177 1.00 0.36 C ATOM 166 CD1 LEU A 61 -9.249 -7.113 11.018 1.00 0.66 C ATOM 167 CD2 LEU A 61 -7.965 -4.987 10.581 1.00 0.63 C ATOM 0 H LEU A 61 -10.316 -4.924 7.019 1.00 0.25 H new ATOM 0 HA LEU A 61 -7.996 -4.392 8.482 1.00 0.25 H new ATOM 0 HB2 LEU A 61 -10.096 -6.385 8.327 1.00 0.30 H new ATOM 0 HB3 LEU A 61 -8.545 -7.156 8.594 1.00 0.30 H new ATOM 0 HG LEU A 61 -10.063 -5.268 10.354 1.00 0.36 H new ATOM 0 HD11 LEU A 61 -9.302 -6.843 12.073 1.00 0.66 H new ATOM 0 HD12 LEU A 61 -10.142 -7.674 10.741 1.00 0.66 H new ATOM 0 HD13 LEU A 61 -8.366 -7.728 10.845 1.00 0.66 H new ATOM 0 HD21 LEU A 61 -8.037 -4.739 11.640 1.00 0.63 H new ATOM 0 HD22 LEU A 61 -7.040 -5.535 10.398 1.00 0.63 H new ATOM 0 HD23 LEU A 61 -7.965 -4.070 9.992 1.00 0.63 H new ATOM 179 N GLU A 62 -7.660 -6.529 6.020 1.00 0.25 N ATOM 180 CA GLU A 62 -6.722 -7.171 5.153 1.00 0.29 C ATOM 181 C GLU A 62 -5.682 -6.182 4.649 1.00 0.23 C ATOM 182 O GLU A 62 -4.480 -6.385 4.809 1.00 0.20 O ATOM 183 CB GLU A 62 -7.481 -7.760 3.979 1.00 0.39 C ATOM 184 CG GLU A 62 -6.857 -9.022 3.483 1.00 0.63 C ATOM 185 CD GLU A 62 -7.638 -9.647 2.355 1.00 1.48 C ATOM 186 OE1 GLU A 62 -8.471 -8.954 1.733 1.00 2.20 O ATOM 187 OE2 GLU A 62 -7.438 -10.847 2.087 1.00 1.98 O ATOM 0 H GLU A 62 -8.635 -6.689 5.765 1.00 0.25 H new ATOM 0 HA GLU A 62 -6.201 -7.955 5.703 1.00 0.29 H new ATOM 0 HB2 GLU A 62 -8.511 -7.958 4.276 1.00 0.39 H new ATOM 0 HB3 GLU A 62 -7.517 -7.031 3.169 1.00 0.39 H new ATOM 0 HG2 GLU A 62 -5.842 -8.814 3.146 1.00 0.63 H new ATOM 0 HG3 GLU A 62 -6.780 -9.733 4.305 1.00 0.63 H new ATOM 194 N ASN A 63 -6.170 -5.104 4.062 1.00 0.22 N ATOM 195 CA ASN A 63 -5.332 -4.087 3.460 1.00 0.19 C ATOM 196 C ASN A 63 -4.451 -3.401 4.483 1.00 0.15 C ATOM 197 O ASN A 63 -3.267 -3.198 4.232 1.00 0.16 O ATOM 198 CB ASN A 63 -6.208 -3.060 2.755 1.00 0.21 C ATOM 199 CG ASN A 63 -6.788 -3.601 1.473 1.00 0.27 C ATOM 200 OD1 ASN A 63 -6.198 -4.460 0.846 1.00 0.33 O ATOM 201 ND2 ASN A 63 -7.951 -3.105 1.083 1.00 0.27 N ATOM 0 H ASN A 63 -7.169 -4.910 3.990 1.00 0.22 H new ATOM 0 HA ASN A 63 -4.676 -4.575 2.739 1.00 0.19 H new ATOM 0 HB2 ASN A 63 -7.017 -2.756 3.419 1.00 0.21 H new ATOM 0 HB3 ASN A 63 -5.620 -2.168 2.539 1.00 0.21 H new ATOM 0 HD21 ASN A 63 -8.388 -3.443 0.225 1.00 0.27 H new ATOM 0 HD22 ASN A 63 -8.411 -2.385 1.640 1.00 0.27 H new ATOM 208 N GLU A 64 -5.021 -3.029 5.625 1.00 0.15 N ATOM 209 CA GLU A 64 -4.232 -2.451 6.696 1.00 0.16 C ATOM 210 C GLU A 64 -3.079 -3.372 7.034 1.00 0.14 C ATOM 211 O GLU A 64 -1.923 -2.964 7.032 1.00 0.17 O ATOM 212 CB GLU A 64 -5.074 -2.240 7.951 1.00 0.21 C ATOM 213 CG GLU A 64 -6.098 -1.135 7.840 1.00 0.30 C ATOM 214 CD GLU A 64 -6.714 -0.807 9.182 1.00 1.20 C ATOM 215 OE1 GLU A 64 -7.237 -1.726 9.845 1.00 1.75 O ATOM 216 OE2 GLU A 64 -6.680 0.376 9.582 1.00 1.77 O ATOM 0 H GLU A 64 -6.017 -3.118 5.827 1.00 0.15 H new ATOM 0 HA GLU A 64 -3.860 -1.485 6.354 1.00 0.16 H new ATOM 0 HB2 GLU A 64 -5.588 -3.171 8.189 1.00 0.21 H new ATOM 0 HB3 GLU A 64 -4.409 -2.020 8.786 1.00 0.21 H new ATOM 0 HG2 GLU A 64 -5.627 -0.243 7.428 1.00 0.30 H new ATOM 0 HG3 GLU A 64 -6.881 -1.433 7.143 1.00 0.30 H new ATOM 223 N LYS A 65 -3.416 -4.626 7.272 1.00 0.13 N ATOM 224 CA LYS A 65 -2.481 -5.607 7.700 1.00 0.14 C ATOM 225 C LYS A 65 -1.406 -5.864 6.639 1.00 0.12 C ATOM 226 O LYS A 65 -0.217 -5.907 6.949 1.00 0.14 O ATOM 227 CB LYS A 65 -3.264 -6.845 8.014 1.00 0.20 C ATOM 228 CG LYS A 65 -2.413 -8.036 8.210 1.00 0.44 C ATOM 229 CD LYS A 65 -1.500 -7.890 9.415 1.00 0.86 C ATOM 230 CE LYS A 65 -0.165 -8.564 9.170 1.00 1.32 C ATOM 231 NZ LYS A 65 -0.262 -10.047 9.138 1.00 1.93 N ATOM 0 H LYS A 65 -4.367 -4.981 7.167 1.00 0.13 H new ATOM 0 HA LYS A 65 -1.942 -5.265 8.583 1.00 0.14 H new ATOM 0 HB2 LYS A 65 -3.854 -6.676 8.915 1.00 0.20 H new ATOM 0 HB3 LYS A 65 -3.967 -7.038 7.204 1.00 0.20 H new ATOM 0 HG2 LYS A 65 -3.044 -8.916 8.338 1.00 0.44 H new ATOM 0 HG3 LYS A 65 -1.811 -8.202 7.317 1.00 0.44 H new ATOM 0 HD2 LYS A 65 -1.344 -6.833 9.631 1.00 0.86 H new ATOM 0 HD3 LYS A 65 -1.977 -8.328 10.292 1.00 0.86 H new ATOM 0 HE2 LYS A 65 0.246 -8.211 8.224 1.00 1.32 H new ATOM 0 HE3 LYS A 65 0.535 -8.268 9.952 1.00 1.32 H new ATOM 0 HZ1 LYS A 65 0.583 -10.440 8.677 1.00 1.93 H new ATOM 0 HZ2 LYS A 65 -0.327 -10.412 10.110 1.00 1.93 H new ATOM 0 HZ3 LYS A 65 -1.110 -10.328 8.605 1.00 1.93 H new ATOM 245 N LEU A 66 -1.836 -6.036 5.390 1.00 0.11 N ATOM 246 CA LEU A 66 -0.913 -6.200 4.270 1.00 0.10 C ATOM 247 C LEU A 66 -0.003 -4.992 4.151 1.00 0.08 C ATOM 248 O LEU A 66 1.200 -5.123 3.938 1.00 0.08 O ATOM 249 CB LEU A 66 -1.684 -6.380 2.966 1.00 0.10 C ATOM 250 CG LEU A 66 -2.498 -7.660 2.861 1.00 0.14 C ATOM 251 CD1 LEU A 66 -3.355 -7.630 1.610 1.00 0.18 C ATOM 252 CD2 LEU A 66 -1.573 -8.859 2.844 1.00 0.17 C ATOM 0 H LEU A 66 -2.821 -6.065 5.129 1.00 0.11 H new ATOM 0 HA LEU A 66 -0.309 -7.088 4.457 1.00 0.10 H new ATOM 0 HB2 LEU A 66 -2.356 -5.531 2.841 1.00 0.10 H new ATOM 0 HB3 LEU A 66 -0.976 -6.351 2.138 1.00 0.10 H new ATOM 0 HG LEU A 66 -3.154 -7.739 3.728 1.00 0.14 H new ATOM 0 HD11 LEU A 66 -3.934 -8.551 1.544 1.00 0.18 H new ATOM 0 HD12 LEU A 66 -4.033 -6.777 1.654 1.00 0.18 H new ATOM 0 HD13 LEU A 66 -2.715 -7.540 0.732 1.00 0.18 H new ATOM 0 HD21 LEU A 66 -2.163 -9.773 2.769 1.00 0.17 H new ATOM 0 HD22 LEU A 66 -0.902 -8.789 1.988 1.00 0.17 H new ATOM 0 HD23 LEU A 66 -0.988 -8.880 3.763 1.00 0.17 H new ATOM 264 N PHE A 67 -0.590 -3.815 4.292 1.00 0.07 N ATOM 265 CA PHE A 67 0.155 -2.578 4.261 1.00 0.06 C ATOM 266 C PHE A 67 1.247 -2.594 5.318 1.00 0.06 C ATOM 267 O PHE A 67 2.380 -2.225 5.045 1.00 0.07 O ATOM 268 CB PHE A 67 -0.783 -1.398 4.486 1.00 0.08 C ATOM 269 CG PHE A 67 -0.077 -0.083 4.504 1.00 0.08 C ATOM 270 CD1 PHE A 67 0.767 0.256 3.470 1.00 0.08 C ATOM 271 CD2 PHE A 67 -0.260 0.811 5.543 1.00 0.12 C ATOM 272 CE1 PHE A 67 1.429 1.475 3.469 1.00 0.08 C ATOM 273 CE2 PHE A 67 0.394 2.024 5.550 1.00 0.12 C ATOM 274 CZ PHE A 67 1.237 2.356 4.509 1.00 0.09 C ATOM 0 H PHE A 67 -1.593 -3.696 4.430 1.00 0.07 H new ATOM 0 HA PHE A 67 0.622 -2.473 3.282 1.00 0.06 H new ATOM 0 HB2 PHE A 67 -1.538 -1.387 3.700 1.00 0.08 H new ATOM 0 HB3 PHE A 67 -1.308 -1.534 5.431 1.00 0.08 H new ATOM 0 HD1 PHE A 67 0.915 -0.434 2.652 1.00 0.08 H new ATOM 0 HD2 PHE A 67 -0.922 0.556 6.357 1.00 0.12 H new ATOM 0 HE1 PHE A 67 2.092 1.732 2.656 1.00 0.08 H new ATOM 0 HE2 PHE A 67 0.247 2.713 6.368 1.00 0.12 H new ATOM 0 HZ PHE A 67 1.747 3.308 4.510 1.00 0.09 H new ATOM 284 N GLU A 68 0.894 -3.030 6.517 1.00 0.08 N ATOM 285 CA GLU A 68 1.861 -3.161 7.600 1.00 0.09 C ATOM 286 C GLU A 68 2.930 -4.165 7.233 1.00 0.10 C ATOM 287 O GLU A 68 4.106 -3.914 7.441 1.00 0.12 O ATOM 288 CB GLU A 68 1.177 -3.604 8.894 1.00 0.14 C ATOM 289 CG GLU A 68 -0.058 -2.803 9.219 1.00 0.21 C ATOM 290 CD GLU A 68 -0.616 -3.099 10.594 1.00 0.87 C ATOM 291 OE1 GLU A 68 -1.347 -4.102 10.739 1.00 1.47 O ATOM 292 OE2 GLU A 68 -0.321 -2.337 11.540 1.00 1.19 O ATOM 0 H GLU A 68 -0.057 -3.300 6.767 1.00 0.08 H new ATOM 0 HA GLU A 68 2.317 -2.184 7.758 1.00 0.09 H new ATOM 0 HB2 GLU A 68 0.908 -4.657 8.813 1.00 0.14 H new ATOM 0 HB3 GLU A 68 1.885 -3.519 9.719 1.00 0.14 H new ATOM 0 HG2 GLU A 68 0.177 -1.741 9.150 1.00 0.21 H new ATOM 0 HG3 GLU A 68 -0.824 -3.009 8.471 1.00 0.21 H new ATOM 299 N GLU A 69 2.519 -5.289 6.661 1.00 0.10 N ATOM 300 CA GLU A 69 3.461 -6.329 6.246 1.00 0.12 C ATOM 301 C GLU A 69 4.498 -5.754 5.303 1.00 0.11 C ATOM 302 O GLU A 69 5.685 -6.073 5.379 1.00 0.14 O ATOM 303 CB GLU A 69 2.730 -7.458 5.535 1.00 0.15 C ATOM 304 CG GLU A 69 1.895 -8.327 6.443 1.00 0.25 C ATOM 305 CD GLU A 69 2.712 -9.367 7.188 1.00 0.81 C ATOM 306 OE1 GLU A 69 3.956 -9.366 7.059 1.00 1.34 O ATOM 307 OE2 GLU A 69 2.111 -10.208 7.886 1.00 1.21 O ATOM 0 H GLU A 69 1.541 -5.507 6.472 1.00 0.10 H new ATOM 0 HA GLU A 69 3.949 -6.715 7.141 1.00 0.12 H new ATOM 0 HB2 GLU A 69 2.085 -7.031 4.767 1.00 0.15 H new ATOM 0 HB3 GLU A 69 3.462 -8.084 5.025 1.00 0.15 H new ATOM 0 HG2 GLU A 69 1.377 -7.696 7.165 1.00 0.25 H new ATOM 0 HG3 GLU A 69 1.130 -8.830 5.852 1.00 0.25 H new ATOM 314 N PHE A 70 4.026 -4.888 4.431 1.00 0.09 N ATOM 315 CA PHE A 70 4.843 -4.272 3.431 1.00 0.09 C ATOM 316 C PHE A 70 5.641 -3.136 4.063 1.00 0.08 C ATOM 317 O PHE A 70 6.819 -2.954 3.773 1.00 0.10 O ATOM 318 CB PHE A 70 3.931 -3.775 2.315 1.00 0.09 C ATOM 319 CG PHE A 70 4.635 -3.109 1.187 1.00 0.09 C ATOM 320 CD1 PHE A 70 4.954 -1.779 1.281 1.00 0.12 C ATOM 321 CD2 PHE A 70 4.961 -3.802 0.034 1.00 0.11 C ATOM 322 CE1 PHE A 70 5.590 -1.135 0.251 1.00 0.14 C ATOM 323 CE2 PHE A 70 5.603 -3.165 -1.005 1.00 0.13 C ATOM 324 CZ PHE A 70 5.919 -1.826 -0.896 1.00 0.13 C ATOM 0 H PHE A 70 3.050 -4.594 4.404 1.00 0.09 H new ATOM 0 HA PHE A 70 5.557 -4.980 3.010 1.00 0.09 H new ATOM 0 HB2 PHE A 70 3.365 -4.620 1.924 1.00 0.09 H new ATOM 0 HB3 PHE A 70 3.209 -3.076 2.738 1.00 0.09 H new ATOM 0 HD1 PHE A 70 4.701 -1.232 2.177 1.00 0.12 H new ATOM 0 HD2 PHE A 70 4.710 -4.849 -0.052 1.00 0.11 H new ATOM 0 HE1 PHE A 70 5.833 -0.086 0.338 1.00 0.14 H new ATOM 0 HE2 PHE A 70 5.858 -3.711 -1.901 1.00 0.13 H new ATOM 0 HZ PHE A 70 6.423 -1.321 -1.707 1.00 0.13 H new ATOM 334 N LEU A 71 4.977 -2.373 4.926 1.00 0.07 N ATOM 335 CA LEU A 71 5.604 -1.300 5.669 1.00 0.08 C ATOM 336 C LEU A 71 6.771 -1.803 6.514 1.00 0.08 C ATOM 337 O LEU A 71 7.883 -1.285 6.418 1.00 0.09 O ATOM 338 CB LEU A 71 4.575 -0.602 6.548 1.00 0.09 C ATOM 339 CG LEU A 71 4.025 0.689 5.957 1.00 0.10 C ATOM 340 CD1 LEU A 71 3.478 1.607 7.024 1.00 0.12 C ATOM 341 CD2 LEU A 71 5.105 1.391 5.189 1.00 0.10 C ATOM 0 H LEU A 71 3.983 -2.487 5.126 1.00 0.07 H new ATOM 0 HA LEU A 71 6.005 -0.587 4.949 1.00 0.08 H new ATOM 0 HB2 LEU A 71 3.747 -1.286 6.732 1.00 0.09 H new ATOM 0 HB3 LEU A 71 5.028 -0.382 7.515 1.00 0.09 H new ATOM 0 HG LEU A 71 3.203 0.428 5.291 1.00 0.10 H new ATOM 0 HD11 LEU A 71 3.096 2.516 6.560 1.00 0.12 H new ATOM 0 HD12 LEU A 71 2.671 1.105 7.557 1.00 0.12 H new ATOM 0 HD13 LEU A 71 4.272 1.864 7.725 1.00 0.12 H new ATOM 0 HD21 LEU A 71 4.709 2.315 4.767 1.00 0.10 H new ATOM 0 HD22 LEU A 71 5.934 1.623 5.857 1.00 0.10 H new ATOM 0 HD23 LEU A 71 5.457 0.746 4.384 1.00 0.10 H new ATOM 353 N GLU A 72 6.498 -2.799 7.347 1.00 0.08 N ATOM 354 CA GLU A 72 7.536 -3.460 8.149 1.00 0.11 C ATOM 355 C GLU A 72 8.660 -3.937 7.253 1.00 0.09 C ATOM 356 O GLU A 72 9.839 -3.734 7.543 1.00 0.12 O ATOM 357 CB GLU A 72 6.972 -4.659 8.903 1.00 0.19 C ATOM 358 CG GLU A 72 5.795 -4.298 9.767 1.00 0.26 C ATOM 359 CD GLU A 72 6.157 -3.362 10.899 1.00 0.59 C ATOM 360 OE1 GLU A 72 6.641 -3.840 11.939 1.00 0.89 O ATOM 361 OE2 GLU A 72 5.966 -2.139 10.750 1.00 1.13 O ATOM 0 H GLU A 72 5.560 -3.174 7.490 1.00 0.08 H new ATOM 0 HA GLU A 72 7.910 -2.731 8.868 1.00 0.11 H new ATOM 0 HB2 GLU A 72 6.672 -5.425 8.188 1.00 0.19 H new ATOM 0 HB3 GLU A 72 7.755 -5.093 9.525 1.00 0.19 H new ATOM 0 HG2 GLU A 72 5.027 -3.832 9.149 1.00 0.26 H new ATOM 0 HG3 GLU A 72 5.362 -5.209 10.181 1.00 0.26 H new ATOM 368 N LEU A 73 8.268 -4.581 6.164 1.00 0.10 N ATOM 369 CA LEU A 73 9.209 -5.031 5.144 1.00 0.11 C ATOM 370 C LEU A 73 10.082 -3.876 4.697 1.00 0.10 C ATOM 371 O LEU A 73 11.302 -3.984 4.694 1.00 0.12 O ATOM 372 CB LEU A 73 8.454 -5.600 3.939 1.00 0.14 C ATOM 373 CG LEU A 73 9.330 -6.061 2.772 1.00 0.20 C ATOM 374 CD1 LEU A 73 9.954 -7.409 3.055 1.00 0.49 C ATOM 375 CD2 LEU A 73 8.531 -6.110 1.488 1.00 0.46 C ATOM 0 H LEU A 73 7.294 -4.807 5.961 1.00 0.10 H new ATOM 0 HA LEU A 73 9.837 -5.813 5.572 1.00 0.11 H new ATOM 0 HB2 LEU A 73 7.852 -6.444 4.275 1.00 0.14 H new ATOM 0 HB3 LEU A 73 7.762 -4.841 3.574 1.00 0.14 H new ATOM 0 HG LEU A 73 10.133 -5.334 2.654 1.00 0.20 H new ATOM 0 HD11 LEU A 73 10.570 -7.710 2.208 1.00 0.49 H new ATOM 0 HD12 LEU A 73 10.574 -7.343 3.949 1.00 0.49 H new ATOM 0 HD13 LEU A 73 9.168 -8.148 3.212 1.00 0.49 H new ATOM 0 HD21 LEU A 73 9.174 -6.440 0.672 1.00 0.46 H new ATOM 0 HD22 LEU A 73 7.702 -6.808 1.602 1.00 0.46 H new ATOM 0 HD23 LEU A 73 8.141 -5.117 1.264 1.00 0.46 H new ATOM 387 N CYS A 74 9.451 -2.765 4.356 1.00 0.09 N ATOM 388 CA CYS A 74 10.180 -1.582 3.927 1.00 0.10 C ATOM 389 C CYS A 74 11.172 -1.154 4.997 1.00 0.11 C ATOM 390 O CYS A 74 12.335 -0.943 4.700 1.00 0.14 O ATOM 391 CB CYS A 74 9.224 -0.440 3.596 1.00 0.10 C ATOM 392 SG CYS A 74 8.122 -0.806 2.220 1.00 0.11 S ATOM 0 H CYS A 74 8.437 -2.657 4.368 1.00 0.09 H new ATOM 0 HA CYS A 74 10.731 -1.833 3.021 1.00 0.10 H new ATOM 0 HB2 CYS A 74 8.627 -0.208 4.478 1.00 0.10 H new ATOM 0 HB3 CYS A 74 9.804 0.452 3.360 1.00 0.10 H new ATOM 0 HG CYS A 74 7.287 -1.739 2.569 1.00 0.11 H new ATOM 398 N LYS A 75 10.736 -1.104 6.254 1.00 0.11 N ATOM 399 CA LYS A 75 11.622 -0.731 7.355 1.00 0.12 C ATOM 400 C LYS A 75 12.853 -1.636 7.396 1.00 0.13 C ATOM 401 O LYS A 75 13.906 -1.255 7.912 1.00 0.16 O ATOM 402 CB LYS A 75 10.881 -0.842 8.683 1.00 0.13 C ATOM 403 CG LYS A 75 9.661 0.034 8.786 1.00 0.18 C ATOM 404 CD LYS A 75 8.895 -0.296 10.042 1.00 0.20 C ATOM 405 CE LYS A 75 7.643 0.536 10.153 1.00 0.30 C ATOM 406 NZ LYS A 75 6.868 0.205 11.373 1.00 0.32 N ATOM 0 H LYS A 75 9.779 -1.316 6.535 1.00 0.11 H new ATOM 0 HA LYS A 75 11.943 0.298 7.193 1.00 0.12 H new ATOM 0 HB2 LYS A 75 10.583 -1.880 8.834 1.00 0.13 H new ATOM 0 HB3 LYS A 75 11.567 -0.587 9.491 1.00 0.13 H new ATOM 0 HG2 LYS A 75 9.956 1.083 8.795 1.00 0.18 H new ATOM 0 HG3 LYS A 75 9.024 -0.111 7.913 1.00 0.18 H new ATOM 0 HD2 LYS A 75 8.633 -1.354 10.043 1.00 0.20 H new ATOM 0 HD3 LYS A 75 9.528 -0.123 10.913 1.00 0.20 H new ATOM 0 HE2 LYS A 75 7.909 1.593 10.167 1.00 0.30 H new ATOM 0 HE3 LYS A 75 7.021 0.376 9.273 1.00 0.30 H new ATOM 0 HZ1 LYS A 75 6.133 0.925 11.523 1.00 0.32 H new ATOM 0 HZ2 LYS A 75 6.422 -0.727 11.258 1.00 0.32 H new ATOM 0 HZ3 LYS A 75 7.505 0.185 12.194 1.00 0.32 H new ATOM 420 N MET A 76 12.711 -2.833 6.839 1.00 0.12 N ATOM 421 CA MET A 76 13.778 -3.815 6.837 1.00 0.13 C ATOM 422 C MET A 76 14.735 -3.600 5.663 1.00 0.14 C ATOM 423 O MET A 76 15.946 -3.756 5.811 1.00 0.16 O ATOM 424 CB MET A 76 13.181 -5.227 6.789 1.00 0.14 C ATOM 425 CG MET A 76 12.347 -5.567 8.011 1.00 0.15 C ATOM 426 SD MET A 76 11.983 -7.328 8.153 1.00 0.21 S ATOM 427 CE MET A 76 10.940 -7.582 6.724 1.00 0.40 C ATOM 0 H MET A 76 11.856 -3.145 6.379 1.00 0.12 H new ATOM 0 HA MET A 76 14.353 -3.697 7.755 1.00 0.13 H new ATOM 0 HB2 MET A 76 12.562 -5.322 5.897 1.00 0.14 H new ATOM 0 HB3 MET A 76 13.989 -5.953 6.695 1.00 0.14 H new ATOM 0 HG2 MET A 76 12.875 -5.238 8.906 1.00 0.15 H new ATOM 0 HG3 MET A 76 11.410 -5.011 7.970 1.00 0.15 H new ATOM 0 HE1 MET A 76 10.852 -8.650 6.523 1.00 0.40 H new ATOM 0 HE2 MET A 76 9.951 -7.167 6.917 1.00 0.40 H new ATOM 0 HE3 MET A 76 11.380 -7.085 5.860 1.00 0.40 H new ATOM 437 N GLN A 77 14.200 -3.236 4.499 1.00 0.14 N ATOM 438 CA GLN A 77 15.014 -3.125 3.297 1.00 0.15 C ATOM 439 C GLN A 77 15.299 -1.675 2.875 1.00 0.16 C ATOM 440 O GLN A 77 16.200 -1.437 2.070 1.00 0.22 O ATOM 441 CB GLN A 77 14.348 -3.859 2.133 1.00 0.19 C ATOM 442 CG GLN A 77 12.986 -4.461 2.435 1.00 0.21 C ATOM 443 CD GLN A 77 12.952 -5.959 2.265 1.00 0.38 C ATOM 444 OE1 GLN A 77 12.750 -6.472 1.169 1.00 0.83 O ATOM 445 NE2 GLN A 77 13.095 -6.670 3.363 1.00 0.25 N ATOM 0 H GLN A 77 13.213 -3.015 4.366 1.00 0.14 H new ATOM 0 HA GLN A 77 15.971 -3.583 3.546 1.00 0.15 H new ATOM 0 HB2 GLN A 77 14.242 -3.164 1.300 1.00 0.19 H new ATOM 0 HB3 GLN A 77 15.013 -4.656 1.800 1.00 0.19 H new ATOM 0 HG2 GLN A 77 12.703 -4.211 3.457 1.00 0.21 H new ATOM 0 HG3 GLN A 77 12.242 -4.010 1.779 1.00 0.21 H new ATOM 0 HE21 GLN A 77 13.262 -6.203 4.255 1.00 0.25 H new ATOM 0 HE22 GLN A 77 13.039 -7.688 3.322 1.00 0.25 H new ATOM 454 N THR A 78 14.557 -0.710 3.401 1.00 0.17 N ATOM 455 CA THR A 78 14.698 0.670 2.945 1.00 0.22 C ATOM 456 C THR A 78 15.435 1.505 3.974 1.00 0.30 C ATOM 457 O THR A 78 15.009 2.607 4.306 1.00 0.32 O ATOM 458 CB THR A 78 13.340 1.358 2.647 1.00 0.17 C ATOM 459 OG1 THR A 78 12.585 1.536 3.848 1.00 0.14 O ATOM 460 CG2 THR A 78 12.517 0.561 1.654 1.00 0.22 C ATOM 0 H THR A 78 13.861 -0.851 4.133 1.00 0.17 H new ATOM 0 HA THR A 78 15.264 0.613 2.015 1.00 0.22 H new ATOM 0 HB THR A 78 13.565 2.332 2.212 1.00 0.17 H new ATOM 0 HG1 THR A 78 12.704 0.755 4.428 1.00 0.14 H new ATOM 0 HG21 THR A 78 11.573 1.073 1.470 1.00 0.22 H new ATOM 0 HG22 THR A 78 13.067 0.467 0.718 1.00 0.22 H new ATOM 0 HG23 THR A 78 12.318 -0.431 2.059 1.00 0.22 H new ATOM 468 N ALA A 79 16.527 0.981 4.496 1.00 0.38 N ATOM 469 CA ALA A 79 17.353 1.727 5.428 1.00 0.50 C ATOM 470 C ALA A 79 17.804 3.057 4.842 1.00 0.52 C ATOM 471 O ALA A 79 17.901 4.060 5.554 1.00 0.55 O ATOM 472 CB ALA A 79 18.558 0.902 5.807 1.00 0.67 C ATOM 0 H ALA A 79 16.864 0.040 4.291 1.00 0.38 H new ATOM 0 HA ALA A 79 16.753 1.940 6.313 1.00 0.50 H new ATOM 0 HB1 ALA A 79 19.178 1.463 6.507 1.00 0.67 H new ATOM 0 HB2 ALA A 79 18.231 -0.026 6.276 1.00 0.67 H new ATOM 0 HB3 ALA A 79 19.138 0.672 4.913 1.00 0.67 H new ATOM 478 N ASP A 80 18.076 3.068 3.539 1.00 0.53 N ATOM 479 CA ASP A 80 18.544 4.280 2.882 1.00 0.57 C ATOM 480 C ASP A 80 17.362 5.172 2.500 1.00 0.52 C ATOM 481 O ASP A 80 17.538 6.296 2.032 1.00 0.57 O ATOM 482 CB ASP A 80 19.412 3.955 1.658 1.00 0.65 C ATOM 483 CG ASP A 80 18.640 3.828 0.357 1.00 1.21 C ATOM 484 OD1 ASP A 80 17.818 2.897 0.222 1.00 1.46 O ATOM 485 OD2 ASP A 80 18.868 4.660 -0.548 1.00 1.94 O ATOM 0 H ASP A 80 17.981 2.259 2.925 1.00 0.53 H new ATOM 0 HA ASP A 80 19.170 4.826 3.588 1.00 0.57 H new ATOM 0 HB2 ASP A 80 20.165 4.735 1.545 1.00 0.65 H new ATOM 0 HB3 ASP A 80 19.944 3.022 1.843 1.00 0.65 H new ATOM 490 N HIS A 81 16.156 4.654 2.705 1.00 0.43 N ATOM 491 CA HIS A 81 14.928 5.429 2.509 1.00 0.38 C ATOM 492 C HIS A 81 13.969 5.221 3.672 1.00 0.29 C ATOM 493 O HIS A 81 12.895 4.649 3.502 1.00 0.23 O ATOM 494 CB HIS A 81 14.219 5.057 1.196 1.00 0.41 C ATOM 495 CG HIS A 81 14.795 5.710 -0.024 1.00 0.61 C ATOM 496 ND1 HIS A 81 14.133 6.692 -0.730 1.00 0.99 N ATOM 497 CD2 HIS A 81 15.964 5.510 -0.673 1.00 0.70 C ATOM 498 CE1 HIS A 81 14.872 7.066 -1.756 1.00 1.08 C ATOM 499 NE2 HIS A 81 15.989 6.366 -1.745 1.00 0.86 N ATOM 0 H HIS A 81 15.998 3.693 3.009 1.00 0.43 H new ATOM 0 HA HIS A 81 15.221 6.478 2.458 1.00 0.38 H new ATOM 0 HB2 HIS A 81 14.261 3.975 1.068 1.00 0.41 H new ATOM 0 HB3 HIS A 81 13.166 5.328 1.276 1.00 0.41 H new ATOM 0 HD2 HIS A 81 16.736 4.806 -0.398 1.00 0.70 H new ATOM 0 HE1 HIS A 81 14.607 7.819 -2.483 1.00 1.08 H new ATOM 0 HE2 HIS A 81 16.747 6.447 -2.422 1.00 0.86 H new ATOM 508 N PRO A 82 14.332 5.701 4.867 1.00 0.32 N ATOM 509 CA PRO A 82 13.499 5.543 6.055 1.00 0.29 C ATOM 510 C PRO A 82 12.212 6.353 5.955 1.00 0.26 C ATOM 511 O PRO A 82 11.219 6.050 6.609 1.00 0.29 O ATOM 512 CB PRO A 82 14.380 6.064 7.184 1.00 0.38 C ATOM 513 CG PRO A 82 15.356 6.974 6.535 1.00 0.44 C ATOM 514 CD PRO A 82 15.570 6.443 5.154 1.00 0.41 C ATOM 0 HA PRO A 82 13.179 4.511 6.201 1.00 0.29 H new ATOM 0 HB2 PRO A 82 13.789 6.592 7.932 1.00 0.38 H new ATOM 0 HB3 PRO A 82 14.886 5.246 7.697 1.00 0.38 H new ATOM 0 HG2 PRO A 82 14.975 7.995 6.504 1.00 0.44 H new ATOM 0 HG3 PRO A 82 16.293 7.000 7.091 1.00 0.44 H new ATOM 0 HD2 PRO A 82 15.729 7.248 4.436 1.00 0.41 H new ATOM 0 HD3 PRO A 82 16.445 5.795 5.106 1.00 0.41 H new ATOM 522 N GLU A 83 12.243 7.371 5.104 1.00 0.23 N ATOM 523 CA GLU A 83 11.087 8.225 4.858 1.00 0.21 C ATOM 524 C GLU A 83 10.011 7.487 4.070 1.00 0.17 C ATOM 525 O GLU A 83 8.867 7.930 4.002 1.00 0.18 O ATOM 526 CB GLU A 83 11.511 9.453 4.071 1.00 0.28 C ATOM 527 CG GLU A 83 12.191 9.082 2.785 1.00 0.46 C ATOM 528 CD GLU A 83 12.613 10.280 1.964 1.00 0.55 C ATOM 529 OE1 GLU A 83 13.597 10.947 2.340 1.00 0.95 O ATOM 530 OE2 GLU A 83 11.975 10.550 0.930 1.00 1.01 O ATOM 0 H GLU A 83 13.070 7.628 4.565 1.00 0.23 H new ATOM 0 HA GLU A 83 10.678 8.517 5.825 1.00 0.21 H new ATOM 0 HB2 GLU A 83 10.636 10.067 3.856 1.00 0.28 H new ATOM 0 HB3 GLU A 83 12.185 10.059 4.677 1.00 0.28 H new ATOM 0 HG2 GLU A 83 13.069 8.476 3.008 1.00 0.46 H new ATOM 0 HG3 GLU A 83 11.518 8.463 2.192 1.00 0.46 H new ATOM 537 N VAL A 84 10.395 6.369 3.479 1.00 0.15 N ATOM 538 CA VAL A 84 9.521 5.605 2.618 1.00 0.14 C ATOM 539 C VAL A 84 8.308 5.094 3.375 1.00 0.11 C ATOM 540 O VAL A 84 7.200 5.121 2.859 1.00 0.11 O ATOM 541 CB VAL A 84 10.313 4.460 1.957 1.00 0.15 C ATOM 542 CG1 VAL A 84 9.502 3.195 1.846 1.00 0.16 C ATOM 543 CG2 VAL A 84 10.810 4.901 0.594 1.00 0.21 C ATOM 0 H VAL A 84 11.326 5.967 3.586 1.00 0.15 H new ATOM 0 HA VAL A 84 9.143 6.257 1.831 1.00 0.14 H new ATOM 0 HB VAL A 84 11.165 4.231 2.597 1.00 0.15 H new ATOM 0 HG11 VAL A 84 10.103 2.418 1.374 1.00 0.16 H new ATOM 0 HG12 VAL A 84 9.201 2.867 2.841 1.00 0.16 H new ATOM 0 HG13 VAL A 84 8.614 3.384 1.242 1.00 0.16 H new ATOM 0 HG21 VAL A 84 11.369 4.088 0.130 1.00 0.21 H new ATOM 0 HG22 VAL A 84 9.960 5.162 -0.036 1.00 0.21 H new ATOM 0 HG23 VAL A 84 11.459 5.770 0.707 1.00 0.21 H new ATOM 553 N VAL A 85 8.519 4.658 4.601 1.00 0.09 N ATOM 554 CA VAL A 85 7.430 4.204 5.436 1.00 0.09 C ATOM 555 C VAL A 85 6.461 5.336 5.774 1.00 0.10 C ATOM 556 O VAL A 85 5.274 5.205 5.539 1.00 0.10 O ATOM 557 CB VAL A 85 7.958 3.536 6.706 1.00 0.10 C ATOM 558 CG1 VAL A 85 6.842 3.337 7.704 1.00 0.13 C ATOM 559 CG2 VAL A 85 8.632 2.230 6.340 1.00 0.11 C ATOM 0 H VAL A 85 9.438 4.609 5.040 1.00 0.09 H new ATOM 0 HA VAL A 85 6.872 3.461 4.866 1.00 0.09 H new ATOM 0 HB VAL A 85 8.697 4.180 7.182 1.00 0.10 H new ATOM 0 HG11 VAL A 85 7.237 2.860 8.601 1.00 0.13 H new ATOM 0 HG12 VAL A 85 6.412 4.304 7.966 1.00 0.13 H new ATOM 0 HG13 VAL A 85 6.071 2.703 7.266 1.00 0.13 H new ATOM 0 HG21 VAL A 85 9.010 1.750 7.243 1.00 0.11 H new ATOM 0 HG22 VAL A 85 7.911 1.572 5.854 1.00 0.11 H new ATOM 0 HG23 VAL A 85 9.460 2.426 5.659 1.00 0.11 H new ATOM 569 N PRO A 86 6.940 6.449 6.345 1.00 0.12 N ATOM 570 CA PRO A 86 6.123 7.646 6.537 1.00 0.14 C ATOM 571 C PRO A 86 5.405 8.072 5.254 1.00 0.14 C ATOM 572 O PRO A 86 4.239 8.444 5.289 1.00 0.18 O ATOM 573 CB PRO A 86 7.110 8.729 6.959 1.00 0.18 C ATOM 574 CG PRO A 86 8.416 8.053 7.214 1.00 0.18 C ATOM 575 CD PRO A 86 8.279 6.593 6.902 1.00 0.14 C ATOM 0 HA PRO A 86 5.340 7.466 7.273 1.00 0.14 H new ATOM 0 HB2 PRO A 86 7.212 9.483 6.179 1.00 0.18 H new ATOM 0 HB3 PRO A 86 6.760 9.242 7.855 1.00 0.18 H new ATOM 0 HG2 PRO A 86 9.197 8.498 6.597 1.00 0.18 H new ATOM 0 HG3 PRO A 86 8.714 8.190 8.254 1.00 0.18 H new ATOM 0 HD2 PRO A 86 9.039 6.269 6.191 1.00 0.14 H new ATOM 0 HD3 PRO A 86 8.401 5.985 7.798 1.00 0.14 H new ATOM 583 N PHE A 87 6.110 7.994 4.124 1.00 0.13 N ATOM 584 CA PHE A 87 5.562 8.337 2.816 1.00 0.14 C ATOM 585 C PHE A 87 4.475 7.342 2.436 1.00 0.12 C ATOM 586 O PHE A 87 3.457 7.694 1.837 1.00 0.12 O ATOM 587 CB PHE A 87 6.697 8.300 1.785 1.00 0.18 C ATOM 588 CG PHE A 87 6.386 8.911 0.451 1.00 0.35 C ATOM 589 CD1 PHE A 87 5.136 9.417 0.179 1.00 0.35 C ATOM 590 CD2 PHE A 87 7.365 8.985 -0.527 1.00 0.85 C ATOM 591 CE1 PHE A 87 4.854 9.992 -1.040 1.00 0.43 C ATOM 592 CE2 PHE A 87 7.091 9.556 -1.755 1.00 1.01 C ATOM 593 CZ PHE A 87 5.833 10.060 -2.011 1.00 0.69 C ATOM 0 H PHE A 87 7.083 7.689 4.093 1.00 0.13 H new ATOM 0 HA PHE A 87 5.124 9.335 2.844 1.00 0.14 H new ATOM 0 HB2 PHE A 87 7.562 8.813 2.206 1.00 0.18 H new ATOM 0 HB3 PHE A 87 6.987 7.261 1.629 1.00 0.18 H new ATOM 0 HD1 PHE A 87 4.364 9.362 0.933 1.00 0.35 H new ATOM 0 HD2 PHE A 87 8.351 8.593 -0.327 1.00 0.85 H new ATOM 0 HE1 PHE A 87 3.869 10.389 -1.236 1.00 0.43 H new ATOM 0 HE2 PHE A 87 7.860 9.607 -2.512 1.00 1.01 H new ATOM 0 HZ PHE A 87 5.614 10.507 -2.969 1.00 0.69 H new ATOM 603 N LEU A 88 4.687 6.110 2.850 1.00 0.10 N ATOM 604 CA LEU A 88 3.783 5.032 2.550 1.00 0.09 C ATOM 605 C LEU A 88 2.568 5.188 3.415 1.00 0.08 C ATOM 606 O LEU A 88 1.426 5.157 2.956 1.00 0.09 O ATOM 607 CB LEU A 88 4.456 3.712 2.882 1.00 0.09 C ATOM 608 CG LEU A 88 5.003 2.939 1.701 1.00 0.10 C ATOM 609 CD1 LEU A 88 5.839 1.785 2.190 1.00 0.11 C ATOM 610 CD2 LEU A 88 3.873 2.433 0.835 1.00 0.10 C ATOM 0 H LEU A 88 5.496 5.833 3.406 1.00 0.10 H new ATOM 0 HA LEU A 88 3.508 5.049 1.495 1.00 0.09 H new ATOM 0 HB2 LEU A 88 5.274 3.907 3.576 1.00 0.09 H new ATOM 0 HB3 LEU A 88 3.738 3.080 3.405 1.00 0.09 H new ATOM 0 HG LEU A 88 5.627 3.603 1.103 1.00 0.10 H new ATOM 0 HD11 LEU A 88 6.230 1.232 1.336 1.00 0.11 H new ATOM 0 HD12 LEU A 88 6.668 2.164 2.788 1.00 0.11 H new ATOM 0 HD13 LEU A 88 5.224 1.123 2.800 1.00 0.11 H new ATOM 0 HD21 LEU A 88 4.282 1.879 -0.010 1.00 0.10 H new ATOM 0 HD22 LEU A 88 3.230 1.777 1.422 1.00 0.10 H new ATOM 0 HD23 LEU A 88 3.290 3.277 0.467 1.00 0.10 H new ATOM 622 N TYR A 89 2.865 5.390 4.685 1.00 0.08 N ATOM 623 CA TYR A 89 1.886 5.516 5.713 1.00 0.09 C ATOM 624 C TYR A 89 0.965 6.670 5.401 1.00 0.09 C ATOM 625 O TYR A 89 -0.249 6.542 5.427 1.00 0.11 O ATOM 626 CB TYR A 89 2.601 5.789 7.028 1.00 0.10 C ATOM 627 CG TYR A 89 2.232 4.816 8.088 1.00 0.13 C ATOM 628 CD1 TYR A 89 0.925 4.439 8.220 1.00 0.14 C ATOM 629 CD2 TYR A 89 3.174 4.273 8.939 1.00 0.16 C ATOM 630 CE1 TYR A 89 0.533 3.539 9.167 1.00 0.19 C ATOM 631 CE2 TYR A 89 2.807 3.363 9.904 1.00 0.20 C ATOM 632 CZ TYR A 89 1.478 2.994 10.020 1.00 0.22 C ATOM 633 OH TYR A 89 1.094 2.081 10.977 1.00 0.27 O ATOM 0 H TYR A 89 3.823 5.471 5.024 1.00 0.08 H new ATOM 0 HA TYR A 89 1.300 4.599 5.781 1.00 0.09 H new ATOM 0 HB2 TYR A 89 3.678 5.754 6.866 1.00 0.10 H new ATOM 0 HB3 TYR A 89 2.362 6.797 7.366 1.00 0.10 H new ATOM 0 HD1 TYR A 89 0.185 4.864 7.558 1.00 0.14 H new ATOM 0 HD2 TYR A 89 4.210 4.565 8.846 1.00 0.16 H new ATOM 0 HE1 TYR A 89 -0.505 3.254 9.251 1.00 0.19 H new ATOM 0 HE2 TYR A 89 3.549 2.941 10.565 1.00 0.20 H new ATOM 0 HH TYR A 89 1.878 1.796 11.491 1.00 0.27 H new ATOM 643 N ASN A 90 1.589 7.789 5.103 1.00 0.09 N ATOM 644 CA ASN A 90 0.917 8.994 4.667 1.00 0.09 C ATOM 645 C ASN A 90 -0.044 8.706 3.539 1.00 0.09 C ATOM 646 O ASN A 90 -1.231 8.982 3.659 1.00 0.10 O ATOM 647 CB ASN A 90 1.977 9.961 4.199 1.00 0.11 C ATOM 648 CG ASN A 90 1.429 11.137 3.448 1.00 0.24 C ATOM 649 OD1 ASN A 90 0.464 11.777 3.857 1.00 0.43 O ATOM 650 ND2 ASN A 90 2.025 11.377 2.305 1.00 0.40 N ATOM 0 H ASN A 90 2.603 7.888 5.159 1.00 0.09 H new ATOM 0 HA ASN A 90 0.339 9.411 5.491 1.00 0.09 H new ATOM 0 HB2 ASN A 90 2.535 10.321 5.063 1.00 0.11 H new ATOM 0 HB3 ASN A 90 2.684 9.431 3.561 1.00 0.11 H new ATOM 0 HD21 ASN A 90 1.690 12.130 1.703 1.00 0.40 H new ATOM 0 HD22 ASN A 90 2.823 10.811 2.017 1.00 0.40 H new ATOM 657 N ARG A 91 0.472 8.143 2.450 1.00 0.08 N ATOM 658 CA ARG A 91 -0.355 7.807 1.296 1.00 0.10 C ATOM 659 C ARG A 91 -1.557 6.979 1.719 1.00 0.09 C ATOM 660 O ARG A 91 -2.666 7.191 1.239 1.00 0.11 O ATOM 661 CB ARG A 91 0.457 7.040 0.253 1.00 0.13 C ATOM 662 CG ARG A 91 1.429 7.904 -0.522 1.00 0.16 C ATOM 663 CD ARG A 91 0.697 8.924 -1.375 1.00 0.29 C ATOM 664 NE ARG A 91 1.625 9.820 -2.067 1.00 0.88 N ATOM 665 CZ ARG A 91 1.460 11.137 -2.184 1.00 1.05 C ATOM 666 NH1 ARG A 91 0.375 11.727 -1.701 1.00 1.35 N ATOM 667 NH2 ARG A 91 2.371 11.864 -2.815 1.00 1.64 N ATOM 0 H ARG A 91 1.459 7.910 2.343 1.00 0.08 H new ATOM 0 HA ARG A 91 -0.706 8.740 0.854 1.00 0.10 H new ATOM 0 HB2 ARG A 91 1.010 6.244 0.751 1.00 0.13 H new ATOM 0 HB3 ARG A 91 -0.228 6.562 -0.447 1.00 0.13 H new ATOM 0 HG2 ARG A 91 2.096 8.417 0.171 1.00 0.16 H new ATOM 0 HG3 ARG A 91 2.052 7.275 -1.157 1.00 0.16 H new ATOM 0 HD2 ARG A 91 0.077 8.407 -2.107 1.00 0.29 H new ATOM 0 HD3 ARG A 91 0.027 9.510 -0.746 1.00 0.29 H new ATOM 0 HE ARG A 91 2.457 9.407 -2.489 1.00 0.88 H new ATOM 0 HH11 ARG A 91 -0.343 11.172 -1.235 1.00 1.35 H new ATOM 0 HH12 ARG A 91 0.258 12.736 -1.796 1.00 1.35 H new ATOM 0 HH21 ARG A 91 3.197 11.415 -3.210 1.00 1.64 H new ATOM 0 HH22 ARG A 91 2.246 12.872 -2.905 1.00 1.64 H new ATOM 681 N GLN A 92 -1.324 6.049 2.627 1.00 0.09 N ATOM 682 CA GLN A 92 -2.372 5.194 3.133 1.00 0.12 C ATOM 683 C GLN A 92 -3.351 5.978 3.988 1.00 0.11 C ATOM 684 O GLN A 92 -4.564 5.864 3.841 1.00 0.13 O ATOM 685 CB GLN A 92 -1.765 4.095 3.969 1.00 0.18 C ATOM 686 CG GLN A 92 -2.794 3.096 4.394 1.00 0.35 C ATOM 687 CD GLN A 92 -2.893 1.933 3.454 1.00 0.42 C ATOM 688 OE1 GLN A 92 -2.577 2.049 2.282 1.00 1.05 O ATOM 689 NE2 GLN A 92 -3.369 0.815 3.960 1.00 0.36 N ATOM 0 H GLN A 92 -0.405 5.869 3.031 1.00 0.09 H new ATOM 0 HA GLN A 92 -2.908 4.773 2.282 1.00 0.12 H new ATOM 0 HB2 GLN A 92 -0.983 3.593 3.399 1.00 0.18 H new ATOM 0 HB3 GLN A 92 -1.290 4.527 4.850 1.00 0.18 H new ATOM 0 HG2 GLN A 92 -2.550 2.732 5.392 1.00 0.35 H new ATOM 0 HG3 GLN A 92 -3.765 3.587 4.462 1.00 0.35 H new ATOM 0 HE21 GLN A 92 -3.619 0.768 4.948 1.00 0.36 H new ATOM 0 HE22 GLN A 92 -3.488 -0.004 3.364 1.00 0.36 H new ATOM 698 N GLN A 93 -2.800 6.773 4.887 1.00 0.12 N ATOM 699 CA GLN A 93 -3.584 7.560 5.823 1.00 0.14 C ATOM 700 C GLN A 93 -4.453 8.592 5.090 1.00 0.16 C ATOM 701 O GLN A 93 -5.508 8.995 5.581 1.00 0.20 O ATOM 702 CB GLN A 93 -2.643 8.247 6.824 1.00 0.15 C ATOM 703 CG GLN A 93 -1.985 7.291 7.809 1.00 0.15 C ATOM 704 CD GLN A 93 -2.970 6.415 8.550 1.00 0.21 C ATOM 705 OE1 GLN A 93 -3.506 6.796 9.589 1.00 0.28 O ATOM 706 NE2 GLN A 93 -3.170 5.212 8.046 1.00 0.22 N ATOM 0 H GLN A 93 -1.792 6.892 4.989 1.00 0.12 H new ATOM 0 HA GLN A 93 -4.258 6.896 6.364 1.00 0.14 H new ATOM 0 HB2 GLN A 93 -1.866 8.776 6.273 1.00 0.15 H new ATOM 0 HB3 GLN A 93 -3.206 8.996 7.381 1.00 0.15 H new ATOM 0 HG2 GLN A 93 -1.280 6.657 7.272 1.00 0.15 H new ATOM 0 HG3 GLN A 93 -1.408 7.867 8.532 1.00 0.15 H new ATOM 0 HE21 GLN A 93 -2.704 4.938 7.181 1.00 0.22 H new ATOM 0 HE22 GLN A 93 -3.790 4.557 8.521 1.00 0.22 H new ATOM 715 N ARG A 94 -3.991 9.026 3.922 1.00 0.14 N ATOM 716 CA ARG A 94 -4.723 9.999 3.108 1.00 0.15 C ATOM 717 C ARG A 94 -5.542 9.331 2.000 1.00 0.14 C ATOM 718 O ARG A 94 -6.251 10.000 1.242 1.00 0.19 O ATOM 719 CB ARG A 94 -3.733 10.987 2.516 1.00 0.21 C ATOM 720 CG ARG A 94 -2.763 10.353 1.549 1.00 0.76 C ATOM 721 CD ARG A 94 -1.482 11.158 1.441 1.00 0.64 C ATOM 722 NE ARG A 94 -1.698 12.440 0.770 1.00 0.86 N ATOM 723 CZ ARG A 94 -1.188 13.608 1.171 1.00 1.04 C ATOM 724 NH1 ARG A 94 -0.468 13.686 2.284 1.00 1.60 N ATOM 725 NH2 ARG A 94 -1.416 14.703 0.462 1.00 1.40 N ATOM 0 H ARG A 94 -3.108 8.719 3.513 1.00 0.14 H new ATOM 0 HA ARG A 94 -5.434 10.518 3.751 1.00 0.15 H new ATOM 0 HB2 ARG A 94 -4.281 11.778 2.004 1.00 0.21 H new ATOM 0 HB3 ARG A 94 -3.174 11.459 3.324 1.00 0.21 H new ATOM 0 HG2 ARG A 94 -2.531 9.340 1.876 1.00 0.76 H new ATOM 0 HG3 ARG A 94 -3.227 10.272 0.566 1.00 0.76 H new ATOM 0 HD2 ARG A 94 -1.079 11.334 2.438 1.00 0.64 H new ATOM 0 HD3 ARG A 94 -0.737 10.582 0.892 1.00 0.64 H new ATOM 0 HE ARG A 94 -2.282 12.442 -0.067 1.00 0.86 H new ATOM 0 HH11 ARG A 94 -0.300 12.849 2.842 1.00 1.60 H new ATOM 0 HH12 ARG A 94 -0.083 14.583 2.581 1.00 1.60 H new ATOM 0 HH21 ARG A 94 -1.979 14.653 -0.387 1.00 1.40 H new ATOM 0 HH22 ARG A 94 -1.028 15.597 0.765 1.00 1.40 H new ATOM 739 N ALA A 95 -5.431 8.021 1.907 1.00 0.12 N ATOM 740 CA ALA A 95 -6.176 7.253 0.907 1.00 0.12 C ATOM 741 C ALA A 95 -7.644 7.125 1.290 1.00 0.13 C ATOM 742 O ALA A 95 -8.030 7.410 2.425 1.00 0.17 O ATOM 743 CB ALA A 95 -5.577 5.864 0.740 1.00 0.13 C ATOM 0 H ALA A 95 -4.832 7.457 2.510 1.00 0.12 H new ATOM 0 HA ALA A 95 -6.105 7.794 -0.037 1.00 0.12 H new ATOM 0 HB1 ALA A 95 -6.145 5.310 -0.007 1.00 0.13 H new ATOM 0 HB2 ALA A 95 -4.540 5.952 0.416 1.00 0.13 H new ATOM 0 HB3 ALA A 95 -5.616 5.334 1.692 1.00 0.13 H new ATOM 749 N HIS A 96 -8.463 6.704 0.334 1.00 0.12 N ATOM 750 CA HIS A 96 -9.870 6.435 0.581 1.00 0.13 C ATOM 751 C HIS A 96 -10.016 5.239 1.489 1.00 0.13 C ATOM 752 O HIS A 96 -9.632 4.134 1.125 1.00 0.12 O ATOM 753 CB HIS A 96 -10.586 6.157 -0.729 1.00 0.14 C ATOM 754 CG HIS A 96 -12.002 6.620 -0.717 1.00 0.18 C ATOM 755 ND1 HIS A 96 -12.839 6.294 0.315 1.00 0.20 N ATOM 756 CD2 HIS A 96 -12.662 7.407 -1.597 1.00 0.23 C ATOM 757 CE1 HIS A 96 -13.984 6.887 0.046 1.00 0.23 C ATOM 758 NE2 HIS A 96 -13.926 7.574 -1.102 1.00 0.25 N ATOM 0 H HIS A 96 -8.170 6.541 -0.629 1.00 0.12 H new ATOM 0 HA HIS A 96 -10.312 7.310 1.058 1.00 0.13 H new ATOM 0 HB2 HIS A 96 -10.053 6.650 -1.542 1.00 0.14 H new ATOM 0 HB3 HIS A 96 -10.559 5.087 -0.934 1.00 0.14 H new ATOM 0 HD2 HIS A 96 -12.268 7.823 -2.512 1.00 0.23 H new ATOM 0 HE1 HIS A 96 -14.861 6.827 0.674 1.00 0.23 H new ATOM 0 HE2 HIS A 96 -14.679 8.117 -1.525 1.00 0.25 H new ATOM 766 N SER A 97 -10.555 5.471 2.678 1.00 0.16 N ATOM 767 CA SER A 97 -10.814 4.401 3.624 1.00 0.20 C ATOM 768 C SER A 97 -11.659 3.303 2.979 1.00 0.18 C ATOM 769 O SER A 97 -11.484 2.124 3.279 1.00 0.18 O ATOM 770 CB SER A 97 -11.502 4.962 4.874 1.00 0.29 C ATOM 771 OG SER A 97 -11.747 3.951 5.837 1.00 1.32 O ATOM 0 H SER A 97 -10.822 6.398 3.009 1.00 0.16 H new ATOM 0 HA SER A 97 -9.864 3.957 3.922 1.00 0.20 H new ATOM 0 HB2 SER A 97 -10.878 5.740 5.314 1.00 0.29 H new ATOM 0 HB3 SER A 97 -12.444 5.431 4.591 1.00 0.29 H new ATOM 0 HG SER A 97 -12.185 4.345 6.620 1.00 1.32 H new ATOM 777 N LEU A 98 -12.569 3.692 2.086 1.00 0.18 N ATOM 778 CA LEU A 98 -13.339 2.735 1.303 1.00 0.18 C ATOM 779 C LEU A 98 -12.437 1.880 0.433 1.00 0.15 C ATOM 780 O LEU A 98 -12.611 0.672 0.337 1.00 0.18 O ATOM 781 CB LEU A 98 -14.314 3.470 0.410 1.00 0.21 C ATOM 782 CG LEU A 98 -15.574 3.968 1.095 1.00 0.28 C ATOM 783 CD1 LEU A 98 -16.350 4.839 0.135 1.00 0.57 C ATOM 784 CD2 LEU A 98 -16.425 2.803 1.581 1.00 0.61 C ATOM 0 H LEU A 98 -12.789 4.668 1.889 1.00 0.18 H new ATOM 0 HA LEU A 98 -13.872 2.090 2.001 1.00 0.18 H new ATOM 0 HB2 LEU A 98 -13.801 4.323 -0.035 1.00 0.21 H new ATOM 0 HB3 LEU A 98 -14.602 2.809 -0.407 1.00 0.21 H new ATOM 0 HG LEU A 98 -15.297 4.557 1.970 1.00 0.28 H new ATOM 0 HD11 LEU A 98 -17.256 5.199 0.622 1.00 0.57 H new ATOM 0 HD12 LEU A 98 -15.736 5.689 -0.163 1.00 0.57 H new ATOM 0 HD13 LEU A 98 -16.619 4.258 -0.747 1.00 0.57 H new ATOM 0 HD21 LEU A 98 -17.322 3.186 2.068 1.00 0.61 H new ATOM 0 HD22 LEU A 98 -16.710 2.182 0.732 1.00 0.61 H new ATOM 0 HD23 LEU A 98 -15.853 2.206 2.291 1.00 0.61 H new ATOM 796 N PHE A 99 -11.471 2.530 -0.189 1.00 0.12 N ATOM 797 CA PHE A 99 -10.516 1.847 -1.057 1.00 0.11 C ATOM 798 C PHE A 99 -9.572 0.992 -0.221 1.00 0.11 C ATOM 799 O PHE A 99 -9.166 -0.096 -0.628 1.00 0.12 O ATOM 800 CB PHE A 99 -9.725 2.842 -1.904 1.00 0.12 C ATOM 801 CG PHE A 99 -8.543 2.217 -2.586 1.00 0.13 C ATOM 802 CD1 PHE A 99 -8.729 1.436 -3.708 1.00 0.15 C ATOM 803 CD2 PHE A 99 -7.255 2.424 -2.121 1.00 0.18 C ATOM 804 CE1 PHE A 99 -7.656 0.863 -4.359 1.00 0.18 C ATOM 805 CE2 PHE A 99 -6.173 1.854 -2.766 1.00 0.20 C ATOM 806 CZ PHE A 99 -6.340 1.049 -3.809 1.00 0.18 C ATOM 0 H PHE A 99 -11.322 3.536 -0.112 1.00 0.12 H new ATOM 0 HA PHE A 99 -11.074 1.203 -1.737 1.00 0.11 H new ATOM 0 HB2 PHE A 99 -10.384 3.276 -2.656 1.00 0.12 H new ATOM 0 HB3 PHE A 99 -9.382 3.660 -1.270 1.00 0.12 H new ATOM 0 HD1 PHE A 99 -9.729 1.271 -4.082 1.00 0.15 H new ATOM 0 HD2 PHE A 99 -7.094 3.037 -1.246 1.00 0.18 H new ATOM 0 HE1 PHE A 99 -7.801 0.288 -5.261 1.00 0.18 H new ATOM 0 HE2 PHE A 99 -5.174 2.067 -2.415 1.00 0.20 H new ATOM 0 HZ PHE A 99 -5.493 0.537 -4.242 1.00 0.18 H new ATOM 816 N LEU A 100 -9.236 1.494 0.952 1.00 0.12 N ATOM 817 CA LEU A 100 -8.446 0.743 1.910 1.00 0.14 C ATOM 818 C LEU A 100 -9.247 -0.444 2.415 1.00 0.16 C ATOM 819 O LEU A 100 -8.703 -1.374 2.995 1.00 0.21 O ATOM 820 CB LEU A 100 -8.045 1.636 3.072 1.00 0.17 C ATOM 821 CG LEU A 100 -7.315 2.905 2.674 1.00 0.17 C ATOM 822 CD1 LEU A 100 -7.273 3.861 3.844 1.00 0.21 C ATOM 823 CD2 LEU A 100 -5.923 2.567 2.192 1.00 0.22 C ATOM 0 H LEU A 100 -9.501 2.427 1.267 1.00 0.12 H new ATOM 0 HA LEU A 100 -7.542 0.381 1.421 1.00 0.14 H new ATOM 0 HB2 LEU A 100 -8.941 1.908 3.629 1.00 0.17 H new ATOM 0 HB3 LEU A 100 -7.410 1.065 3.749 1.00 0.17 H new ATOM 0 HG LEU A 100 -7.847 3.392 1.857 1.00 0.17 H new ATOM 0 HD11 LEU A 100 -6.748 4.770 3.552 1.00 0.21 H new ATOM 0 HD12 LEU A 100 -8.290 4.111 4.147 1.00 0.21 H new ATOM 0 HD13 LEU A 100 -6.751 3.392 4.678 1.00 0.21 H new ATOM 0 HD21 LEU A 100 -5.404 3.482 1.908 1.00 0.22 H new ATOM 0 HD22 LEU A 100 -5.372 2.071 2.991 1.00 0.22 H new ATOM 0 HD23 LEU A 100 -5.988 1.904 1.329 1.00 0.22 H new ATOM 835 N ALA A 101 -10.551 -0.395 2.208 1.00 0.16 N ATOM 836 CA ALA A 101 -11.411 -1.537 2.468 1.00 0.19 C ATOM 837 C ALA A 101 -11.910 -2.133 1.164 1.00 0.21 C ATOM 838 O ALA A 101 -12.965 -2.760 1.125 1.00 0.37 O ATOM 839 CB ALA A 101 -12.594 -1.142 3.340 1.00 0.23 C ATOM 0 H ALA A 101 -11.040 0.429 1.858 1.00 0.16 H new ATOM 0 HA ALA A 101 -10.822 -2.284 3.000 1.00 0.19 H new ATOM 0 HB1 ALA A 101 -13.221 -2.015 3.519 1.00 0.23 H new ATOM 0 HB2 ALA A 101 -12.231 -0.754 4.292 1.00 0.23 H new ATOM 0 HB3 ALA A 101 -13.178 -0.373 2.834 1.00 0.23 H new ATOM 845 N SER A 102 -11.171 -1.891 0.091 1.00 0.13 N ATOM 846 CA SER A 102 -11.521 -2.427 -1.214 1.00 0.15 C ATOM 847 C SER A 102 -10.501 -3.459 -1.713 1.00 0.17 C ATOM 848 O SER A 102 -9.289 -3.322 -1.525 1.00 0.25 O ATOM 849 CB SER A 102 -11.657 -1.286 -2.219 1.00 0.18 C ATOM 850 OG SER A 102 -12.827 -0.528 -1.980 1.00 1.40 O ATOM 0 H SER A 102 -10.323 -1.325 0.100 1.00 0.13 H new ATOM 0 HA SER A 102 -12.475 -2.945 -1.114 1.00 0.15 H new ATOM 0 HB2 SER A 102 -10.783 -0.638 -2.158 1.00 0.18 H new ATOM 0 HB3 SER A 102 -11.684 -1.691 -3.231 1.00 0.18 H new ATOM 0 HG SER A 102 -12.818 -0.195 -1.058 1.00 1.40 H new ATOM 856 N ALA A 103 -11.056 -4.513 -2.319 1.00 0.20 N ATOM 857 CA ALA A 103 -10.316 -5.622 -2.916 1.00 0.21 C ATOM 858 C ALA A 103 -9.151 -5.188 -3.791 1.00 0.18 C ATOM 859 O ALA A 103 -8.126 -5.860 -3.804 1.00 0.19 O ATOM 860 CB ALA A 103 -11.265 -6.460 -3.750 1.00 0.27 C ATOM 0 H ALA A 103 -12.067 -4.618 -2.409 1.00 0.20 H new ATOM 0 HA ALA A 103 -9.893 -6.190 -2.088 1.00 0.21 H new ATOM 0 HB1 ALA A 103 -10.719 -7.290 -4.199 1.00 0.27 H new ATOM 0 HB2 ALA A 103 -12.060 -6.850 -3.115 1.00 0.27 H new ATOM 0 HB3 ALA A 103 -11.699 -5.843 -4.537 1.00 0.27 H new ATOM 866 N GLU A 104 -9.313 -4.105 -4.550 1.00 0.17 N ATOM 867 CA GLU A 104 -8.255 -3.651 -5.446 1.00 0.17 C ATOM 868 C GLU A 104 -6.961 -3.431 -4.685 1.00 0.14 C ATOM 869 O GLU A 104 -5.897 -3.836 -5.137 1.00 0.14 O ATOM 870 CB GLU A 104 -8.631 -2.361 -6.148 1.00 0.22 C ATOM 871 CG GLU A 104 -7.785 -2.099 -7.379 1.00 0.30 C ATOM 872 CD GLU A 104 -8.050 -0.752 -8.023 1.00 0.97 C ATOM 873 OE1 GLU A 104 -9.069 -0.619 -8.731 1.00 1.29 O ATOM 874 OE2 GLU A 104 -7.221 0.172 -7.858 1.00 1.70 O ATOM 0 H GLU A 104 -10.157 -3.533 -4.562 1.00 0.17 H new ATOM 0 HA GLU A 104 -8.117 -4.434 -6.192 1.00 0.17 H new ATOM 0 HB2 GLU A 104 -9.682 -2.401 -6.436 1.00 0.22 H new ATOM 0 HB3 GLU A 104 -8.522 -1.528 -5.453 1.00 0.22 H new ATOM 0 HG2 GLU A 104 -6.732 -2.160 -7.105 1.00 0.30 H new ATOM 0 HG3 GLU A 104 -7.971 -2.885 -8.111 1.00 0.30 H new ATOM 881 N PHE A 105 -7.054 -2.805 -3.517 1.00 0.13 N ATOM 882 CA PHE A 105 -5.879 -2.528 -2.725 1.00 0.13 C ATOM 883 C PHE A 105 -5.286 -3.829 -2.219 1.00 0.12 C ATOM 884 O PHE A 105 -4.075 -3.988 -2.184 1.00 0.13 O ATOM 885 CB PHE A 105 -6.226 -1.613 -1.551 1.00 0.13 C ATOM 886 CG PHE A 105 -5.015 -1.102 -0.837 1.00 0.12 C ATOM 887 CD1 PHE A 105 -3.849 -0.877 -1.541 1.00 0.12 C ATOM 888 CD2 PHE A 105 -5.034 -0.849 0.526 1.00 0.14 C ATOM 889 CE1 PHE A 105 -2.723 -0.406 -0.906 1.00 0.13 C ATOM 890 CE2 PHE A 105 -3.909 -0.379 1.162 1.00 0.15 C ATOM 891 CZ PHE A 105 -2.752 -0.156 0.444 1.00 0.14 C ATOM 0 H PHE A 105 -7.931 -2.484 -3.106 1.00 0.13 H new ATOM 0 HA PHE A 105 -5.145 -2.019 -3.350 1.00 0.13 H new ATOM 0 HB2 PHE A 105 -6.811 -0.768 -1.915 1.00 0.13 H new ATOM 0 HB3 PHE A 105 -6.855 -2.156 -0.846 1.00 0.13 H new ATOM 0 HD1 PHE A 105 -3.820 -1.073 -2.603 1.00 0.12 H new ATOM 0 HD2 PHE A 105 -5.938 -1.022 1.092 1.00 0.14 H new ATOM 0 HE1 PHE A 105 -1.817 -0.233 -1.469 1.00 0.13 H new ATOM 0 HE2 PHE A 105 -3.931 -0.184 2.224 1.00 0.15 H new ATOM 0 HZ PHE A 105 -1.869 0.215 0.944 1.00 0.14 H new ATOM 901 N CYS A 106 -6.154 -4.763 -1.865 1.00 0.13 N ATOM 902 CA CYS A 106 -5.731 -6.077 -1.409 1.00 0.15 C ATOM 903 C CYS A 106 -4.993 -6.783 -2.526 1.00 0.15 C ATOM 904 O CYS A 106 -3.936 -7.380 -2.322 1.00 0.16 O ATOM 905 CB CYS A 106 -6.952 -6.886 -0.966 1.00 0.19 C ATOM 906 SG CYS A 106 -6.606 -8.611 -0.563 1.00 0.29 S ATOM 0 H CYS A 106 -7.165 -4.633 -1.885 1.00 0.13 H new ATOM 0 HA CYS A 106 -5.059 -5.975 -0.557 1.00 0.15 H new ATOM 0 HB2 CYS A 106 -7.393 -6.404 -0.093 1.00 0.19 H new ATOM 0 HB3 CYS A 106 -7.699 -6.855 -1.759 1.00 0.19 H new ATOM 0 HG CYS A 106 -7.627 -9.125 0.056 1.00 0.29 H new ATOM 912 N ASN A 107 -5.567 -6.681 -3.710 1.00 0.14 N ATOM 913 CA ASN A 107 -4.962 -7.184 -4.928 1.00 0.16 C ATOM 914 C ASN A 107 -3.567 -6.614 -5.095 1.00 0.15 C ATOM 915 O ASN A 107 -2.584 -7.343 -5.167 1.00 0.17 O ATOM 916 CB ASN A 107 -5.817 -6.762 -6.117 1.00 0.18 C ATOM 917 CG ASN A 107 -6.124 -7.911 -7.051 1.00 0.24 C ATOM 918 OD1 ASN A 107 -5.311 -8.817 -7.228 1.00 0.32 O ATOM 919 ND2 ASN A 107 -7.307 -7.888 -7.643 1.00 0.34 N ATOM 0 H ASN A 107 -6.476 -6.242 -3.854 1.00 0.14 H new ATOM 0 HA ASN A 107 -4.899 -8.271 -4.873 1.00 0.16 H new ATOM 0 HB2 ASN A 107 -6.752 -6.334 -5.754 1.00 0.18 H new ATOM 0 HB3 ASN A 107 -5.301 -5.977 -6.670 1.00 0.18 H new ATOM 0 HD21 ASN A 107 -7.576 -8.642 -8.275 1.00 0.34 H new ATOM 0 HD22 ASN A 107 -7.950 -7.116 -7.467 1.00 0.34 H new ATOM 926 N ILE A 108 -3.509 -5.293 -5.089 1.00 0.13 N ATOM 927 CA ILE A 108 -2.286 -4.539 -5.308 1.00 0.13 C ATOM 928 C ILE A 108 -1.260 -4.838 -4.221 1.00 0.11 C ATOM 929 O ILE A 108 -0.078 -5.022 -4.494 1.00 0.12 O ATOM 930 CB ILE A 108 -2.637 -3.036 -5.299 1.00 0.14 C ATOM 931 CG1 ILE A 108 -3.434 -2.672 -6.551 1.00 0.17 C ATOM 932 CG2 ILE A 108 -1.402 -2.157 -5.160 1.00 0.14 C ATOM 933 CD1 ILE A 108 -4.199 -1.373 -6.421 1.00 0.17 C ATOM 0 H ILE A 108 -4.326 -4.703 -4.929 1.00 0.13 H new ATOM 0 HA ILE A 108 -1.850 -4.824 -6.266 1.00 0.13 H new ATOM 0 HB ILE A 108 -3.255 -2.847 -4.422 1.00 0.14 H new ATOM 0 HG12 ILE A 108 -2.752 -2.600 -7.398 1.00 0.17 H new ATOM 0 HG13 ILE A 108 -4.135 -3.477 -6.773 1.00 0.17 H new ATOM 0 HG21 ILE A 108 -1.700 -1.109 -5.159 1.00 0.14 H new ATOM 0 HG22 ILE A 108 -0.892 -2.391 -4.225 1.00 0.14 H new ATOM 0 HG23 ILE A 108 -0.728 -2.342 -5.997 1.00 0.14 H new ATOM 0 HD11 ILE A 108 -4.742 -1.176 -7.346 1.00 0.17 H new ATOM 0 HD12 ILE A 108 -4.905 -1.448 -5.594 1.00 0.17 H new ATOM 0 HD13 ILE A 108 -3.502 -0.558 -6.229 1.00 0.17 H new ATOM 945 N LEU A 109 -1.739 -4.885 -2.994 1.00 0.09 N ATOM 946 CA LEU A 109 -0.918 -5.180 -1.834 1.00 0.08 C ATOM 947 C LEU A 109 -0.316 -6.562 -1.918 1.00 0.09 C ATOM 948 O LEU A 109 0.893 -6.735 -1.777 1.00 0.10 O ATOM 949 CB LEU A 109 -1.759 -5.047 -0.585 1.00 0.08 C ATOM 950 CG LEU A 109 -1.731 -3.659 0.016 1.00 0.07 C ATOM 951 CD1 LEU A 109 -2.730 -3.545 1.131 1.00 0.09 C ATOM 952 CD2 LEU A 109 -0.344 -3.354 0.521 1.00 0.07 C ATOM 0 H LEU A 109 -2.720 -4.718 -2.771 1.00 0.09 H new ATOM 0 HA LEU A 109 -0.093 -4.468 -1.801 1.00 0.08 H new ATOM 0 HB2 LEU A 109 -2.790 -5.312 -0.821 1.00 0.08 H new ATOM 0 HB3 LEU A 109 -1.408 -5.763 0.158 1.00 0.08 H new ATOM 0 HG LEU A 109 -1.998 -2.935 -0.754 1.00 0.07 H new ATOM 0 HD11 LEU A 109 -2.694 -2.539 1.550 1.00 0.09 H new ATOM 0 HD12 LEU A 109 -3.730 -3.742 0.745 1.00 0.09 H new ATOM 0 HD13 LEU A 109 -2.492 -4.271 1.909 1.00 0.09 H new ATOM 0 HD21 LEU A 109 -0.326 -2.354 0.954 1.00 0.07 H new ATOM 0 HD22 LEU A 109 -0.065 -4.083 1.282 1.00 0.07 H new ATOM 0 HD23 LEU A 109 0.364 -3.404 -0.306 1.00 0.07 H new ATOM 964 N SER A 110 -1.167 -7.537 -2.156 1.00 0.10 N ATOM 965 CA SER A 110 -0.733 -8.909 -2.325 1.00 0.12 C ATOM 966 C SER A 110 0.273 -8.988 -3.467 1.00 0.12 C ATOM 967 O SER A 110 1.271 -9.707 -3.392 1.00 0.14 O ATOM 968 CB SER A 110 -1.941 -9.802 -2.589 1.00 0.15 C ATOM 969 OG SER A 110 -1.562 -11.136 -2.872 1.00 1.15 O ATOM 0 H SER A 110 -2.175 -7.403 -2.238 1.00 0.10 H new ATOM 0 HA SER A 110 -0.246 -9.259 -1.415 1.00 0.12 H new ATOM 0 HB2 SER A 110 -2.599 -9.789 -1.720 1.00 0.15 H new ATOM 0 HB3 SER A 110 -2.512 -9.402 -3.427 1.00 0.15 H new ATOM 0 HG SER A 110 -2.363 -11.676 -3.034 1.00 1.15 H new ATOM 975 N ARG A 111 0.009 -8.209 -4.512 1.00 0.11 N ATOM 976 CA ARG A 111 0.906 -8.097 -5.640 1.00 0.12 C ATOM 977 C ARG A 111 2.268 -7.590 -5.203 1.00 0.11 C ATOM 978 O ARG A 111 3.274 -8.277 -5.357 1.00 0.13 O ATOM 979 CB ARG A 111 0.316 -7.136 -6.664 1.00 0.16 C ATOM 980 CG ARG A 111 -0.856 -7.707 -7.432 1.00 0.26 C ATOM 981 CD ARG A 111 -0.431 -8.863 -8.305 1.00 0.99 C ATOM 982 NE ARG A 111 -1.569 -9.509 -8.960 1.00 1.81 N ATOM 983 CZ ARG A 111 -1.736 -9.569 -10.280 1.00 2.57 C ATOM 984 NH1 ARG A 111 -0.845 -9.012 -11.093 1.00 2.67 N ATOM 985 NH2 ARG A 111 -2.786 -10.201 -10.790 1.00 3.55 N ATOM 0 H ARG A 111 -0.834 -7.641 -4.593 1.00 0.11 H new ATOM 0 HA ARG A 111 1.029 -9.086 -6.081 1.00 0.12 H new ATOM 0 HB2 ARG A 111 -0.004 -6.227 -6.154 1.00 0.16 H new ATOM 0 HB3 ARG A 111 1.095 -6.848 -7.370 1.00 0.16 H new ATOM 0 HG2 ARG A 111 -1.624 -8.040 -6.733 1.00 0.26 H new ATOM 0 HG3 ARG A 111 -1.303 -6.928 -8.049 1.00 0.26 H new ATOM 0 HD2 ARG A 111 0.267 -8.507 -9.062 1.00 0.99 H new ATOM 0 HD3 ARG A 111 0.102 -9.596 -7.700 1.00 0.99 H new ATOM 0 HE ARG A 111 -2.279 -9.941 -8.368 1.00 1.81 H new ATOM 0 HH11 ARG A 111 -0.030 -8.536 -10.707 1.00 2.67 H new ATOM 0 HH12 ARG A 111 -0.976 -9.060 -12.103 1.00 2.67 H new ATOM 0 HH21 ARG A 111 -3.466 -10.642 -10.171 1.00 3.55 H new ATOM 0 HH22 ARG A 111 -2.912 -10.246 -11.801 1.00 3.55 H new ATOM 999 N VAL A 112 2.290 -6.402 -4.613 1.00 0.10 N ATOM 1000 CA VAL A 112 3.549 -5.749 -4.296 1.00 0.10 C ATOM 1001 C VAL A 112 4.306 -6.468 -3.208 1.00 0.11 C ATOM 1002 O VAL A 112 5.506 -6.597 -3.300 1.00 0.12 O ATOM 1003 CB VAL A 112 3.394 -4.271 -3.889 1.00 0.10 C ATOM 1004 CG1 VAL A 112 3.155 -3.410 -5.100 1.00 0.11 C ATOM 1005 CG2 VAL A 112 2.284 -4.071 -2.885 1.00 0.10 C ATOM 0 H VAL A 112 1.457 -5.876 -4.347 1.00 0.10 H new ATOM 0 HA VAL A 112 4.113 -5.789 -5.228 1.00 0.10 H new ATOM 0 HB VAL A 112 4.328 -3.971 -3.414 1.00 0.10 H new ATOM 0 HG11 VAL A 112 3.048 -2.370 -4.792 1.00 0.11 H new ATOM 0 HG12 VAL A 112 3.999 -3.501 -5.783 1.00 0.11 H new ATOM 0 HG13 VAL A 112 2.244 -3.735 -5.603 1.00 0.11 H new ATOM 0 HG21 VAL A 112 2.212 -3.014 -2.628 1.00 0.10 H new ATOM 0 HG22 VAL A 112 1.340 -4.405 -3.315 1.00 0.10 H new ATOM 0 HG23 VAL A 112 2.498 -4.649 -1.986 1.00 0.10 H new ATOM 1015 N LEU A 113 3.612 -6.922 -2.184 1.00 0.10 N ATOM 1016 CA LEU A 113 4.251 -7.659 -1.105 1.00 0.11 C ATOM 1017 C LEU A 113 4.998 -8.866 -1.643 1.00 0.12 C ATOM 1018 O LEU A 113 6.190 -9.050 -1.396 1.00 0.14 O ATOM 1019 CB LEU A 113 3.211 -8.092 -0.082 1.00 0.11 C ATOM 1020 CG LEU A 113 3.180 -7.202 1.138 1.00 0.12 C ATOM 1021 CD1 LEU A 113 1.830 -6.525 1.260 1.00 0.31 C ATOM 1022 CD2 LEU A 113 3.522 -8.001 2.376 1.00 0.28 C ATOM 0 H LEU A 113 2.606 -6.795 -2.073 1.00 0.10 H new ATOM 0 HA LEU A 113 4.973 -7.003 -0.619 1.00 0.11 H new ATOM 0 HB2 LEU A 113 2.227 -8.093 -0.550 1.00 0.11 H new ATOM 0 HB3 LEU A 113 3.418 -9.117 0.227 1.00 0.11 H new ATOM 0 HG LEU A 113 3.932 -6.420 1.032 1.00 0.12 H new ATOM 0 HD11 LEU A 113 1.822 -5.887 2.143 1.00 0.31 H new ATOM 0 HD12 LEU A 113 1.645 -5.919 0.373 1.00 0.31 H new ATOM 0 HD13 LEU A 113 1.051 -7.281 1.352 1.00 0.31 H new ATOM 0 HD21 LEU A 113 3.496 -7.349 3.249 1.00 0.28 H new ATOM 0 HD22 LEU A 113 2.797 -8.805 2.502 1.00 0.28 H new ATOM 0 HD23 LEU A 113 4.520 -8.426 2.270 1.00 0.28 H new ATOM 1034 N SER A 114 4.284 -9.658 -2.401 1.00 0.13 N ATOM 1035 CA SER A 114 4.837 -10.862 -3.012 1.00 0.15 C ATOM 1036 C SER A 114 6.002 -10.516 -3.939 1.00 0.15 C ATOM 1037 O SER A 114 7.044 -11.178 -3.927 1.00 0.17 O ATOM 1038 CB SER A 114 3.743 -11.614 -3.777 1.00 0.17 C ATOM 1039 OG SER A 114 4.251 -12.778 -4.412 1.00 1.00 O ATOM 0 H SER A 114 3.301 -9.495 -2.619 1.00 0.13 H new ATOM 0 HA SER A 114 5.218 -11.508 -2.221 1.00 0.15 H new ATOM 0 HB2 SER A 114 2.945 -11.894 -3.089 1.00 0.17 H new ATOM 0 HB3 SER A 114 3.303 -10.954 -4.525 1.00 0.17 H new ATOM 0 HG SER A 114 3.526 -13.233 -4.889 1.00 1.00 H new ATOM 1045 N ARG A 115 5.828 -9.464 -4.727 1.00 0.13 N ATOM 1046 CA ARG A 115 6.872 -9.000 -5.632 1.00 0.14 C ATOM 1047 C ARG A 115 8.038 -8.418 -4.842 1.00 0.14 C ATOM 1048 O ARG A 115 9.192 -8.550 -5.230 1.00 0.18 O ATOM 1049 CB ARG A 115 6.299 -7.945 -6.586 1.00 0.17 C ATOM 1050 CG ARG A 115 5.283 -8.506 -7.561 1.00 0.24 C ATOM 1051 CD ARG A 115 4.388 -7.424 -8.152 1.00 0.35 C ATOM 1052 NE ARG A 115 5.115 -6.393 -8.882 1.00 0.84 N ATOM 1053 CZ ARG A 115 4.686 -5.137 -9.010 1.00 1.19 C ATOM 1054 NH1 ARG A 115 3.558 -4.755 -8.422 1.00 1.20 N ATOM 1055 NH2 ARG A 115 5.380 -4.269 -9.733 1.00 1.83 N ATOM 0 H ARG A 115 4.970 -8.913 -4.758 1.00 0.13 H new ATOM 0 HA ARG A 115 7.238 -9.846 -6.214 1.00 0.14 H new ATOM 0 HB2 ARG A 115 5.832 -7.152 -6.002 1.00 0.17 H new ATOM 0 HB3 ARG A 115 7.116 -7.489 -7.146 1.00 0.17 H new ATOM 0 HG2 ARG A 115 5.804 -9.024 -8.367 1.00 0.24 H new ATOM 0 HG3 ARG A 115 4.666 -9.247 -7.053 1.00 0.24 H new ATOM 0 HD2 ARG A 115 3.665 -7.889 -8.822 1.00 0.35 H new ATOM 0 HD3 ARG A 115 3.821 -6.955 -7.348 1.00 0.35 H new ATOM 0 HE ARG A 115 6.001 -6.646 -9.319 1.00 0.84 H new ATOM 0 HH11 ARG A 115 3.018 -5.423 -7.871 1.00 1.20 H new ATOM 0 HH12 ARG A 115 3.231 -3.794 -8.521 1.00 1.20 H new ATOM 0 HH21 ARG A 115 6.243 -4.562 -10.192 1.00 1.83 H new ATOM 0 HH22 ARG A 115 5.051 -3.308 -9.831 1.00 1.83 H new ATOM 1069 N ALA A 116 7.707 -7.760 -3.745 1.00 0.13 N ATOM 1070 CA ALA A 116 8.695 -7.112 -2.885 1.00 0.14 C ATOM 1071 C ALA A 116 9.631 -8.119 -2.235 1.00 0.16 C ATOM 1072 O ALA A 116 10.829 -7.887 -2.137 1.00 0.18 O ATOM 1073 CB ALA A 116 8.000 -6.264 -1.833 1.00 0.15 C ATOM 0 H ALA A 116 6.745 -7.657 -3.421 1.00 0.13 H new ATOM 0 HA ALA A 116 9.307 -6.465 -3.513 1.00 0.14 H new ATOM 0 HB1 ALA A 116 8.747 -5.787 -1.199 1.00 0.15 H new ATOM 0 HB2 ALA A 116 7.397 -5.499 -2.322 1.00 0.15 H new ATOM 0 HB3 ALA A 116 7.357 -6.897 -1.222 1.00 0.15 H new ATOM 1079 N ARG A 117 9.080 -9.230 -1.782 1.00 0.19 N ATOM 1080 CA ARG A 117 9.900 -10.296 -1.224 1.00 0.24 C ATOM 1081 C ARG A 117 10.655 -11.045 -2.312 1.00 0.26 C ATOM 1082 O ARG A 117 11.663 -11.706 -2.051 1.00 0.32 O ATOM 1083 CB ARG A 117 9.056 -11.264 -0.416 1.00 0.28 C ATOM 1084 CG ARG A 117 8.771 -10.747 0.969 1.00 0.61 C ATOM 1085 CD ARG A 117 7.375 -10.163 1.088 1.00 0.34 C ATOM 1086 NE ARG A 117 6.336 -11.181 0.929 1.00 1.22 N ATOM 1087 CZ ARG A 117 5.448 -11.492 1.871 1.00 1.38 C ATOM 1088 NH1 ARG A 117 5.535 -10.945 3.078 1.00 1.30 N ATOM 1089 NH2 ARG A 117 4.494 -12.377 1.610 1.00 2.33 N ATOM 0 H ARG A 117 8.078 -9.420 -1.788 1.00 0.19 H new ATOM 0 HA ARG A 117 10.629 -9.830 -0.562 1.00 0.24 H new ATOM 0 HB2 ARG A 117 8.115 -11.445 -0.936 1.00 0.28 H new ATOM 0 HB3 ARG A 117 9.571 -12.222 -0.346 1.00 0.28 H new ATOM 0 HG2 ARG A 117 8.886 -11.558 1.688 1.00 0.61 H new ATOM 0 HG3 ARG A 117 9.505 -9.984 1.228 1.00 0.61 H new ATOM 0 HD2 ARG A 117 7.265 -9.683 2.060 1.00 0.34 H new ATOM 0 HD3 ARG A 117 7.241 -9.388 0.333 1.00 0.34 H new ATOM 0 HE ARG A 117 6.289 -11.683 0.042 1.00 1.22 H new ATOM 0 HH11 ARG A 117 6.284 -10.284 3.286 1.00 1.30 H new ATOM 0 HH12 ARG A 117 4.853 -11.186 3.797 1.00 1.30 H new ATOM 0 HH21 ARG A 117 4.443 -12.816 0.691 1.00 2.33 H new ATOM 0 HH22 ARG A 117 3.812 -12.618 2.329 1.00 2.33 H new ATOM 1103 N SER A 118 10.152 -10.944 -3.525 1.00 0.26 N ATOM 1104 CA SER A 118 10.808 -11.542 -4.677 1.00 0.31 C ATOM 1105 C SER A 118 11.937 -10.660 -5.131 1.00 0.28 C ATOM 1106 O SER A 118 13.007 -11.127 -5.522 1.00 0.32 O ATOM 1107 CB SER A 118 9.820 -11.721 -5.825 1.00 0.37 C ATOM 1108 OG SER A 118 10.289 -12.656 -6.785 1.00 0.68 O ATOM 0 H SER A 118 9.286 -10.451 -3.743 1.00 0.26 H new ATOM 0 HA SER A 118 11.194 -12.519 -4.386 1.00 0.31 H new ATOM 0 HB2 SER A 118 8.861 -12.056 -5.430 1.00 0.37 H new ATOM 0 HB3 SER A 118 9.647 -10.760 -6.309 1.00 0.37 H new ATOM 0 HG SER A 118 9.629 -12.745 -7.504 1.00 0.68 H new ATOM 1114 N ARG A 119 11.685 -9.380 -5.070 1.00 0.23 N ATOM 1115 CA ARG A 119 12.622 -8.409 -5.525 1.00 0.20 C ATOM 1116 C ARG A 119 12.639 -7.193 -4.653 1.00 0.18 C ATOM 1117 O ARG A 119 12.030 -6.168 -4.953 1.00 0.17 O ATOM 1118 CB ARG A 119 12.326 -8.062 -6.940 1.00 0.25 C ATOM 1119 CG ARG A 119 13.140 -8.921 -7.843 1.00 0.33 C ATOM 1120 CD ARG A 119 13.876 -8.071 -8.852 1.00 0.33 C ATOM 1121 NE ARG A 119 14.624 -8.876 -9.814 1.00 0.55 N ATOM 1122 CZ ARG A 119 15.008 -8.444 -11.014 1.00 0.97 C ATOM 1123 NH1 ARG A 119 14.709 -7.213 -11.413 1.00 1.48 N ATOM 1124 NH2 ARG A 119 15.696 -9.243 -11.816 1.00 1.19 N ATOM 0 H ARG A 119 10.819 -8.988 -4.701 1.00 0.23 H new ATOM 0 HA ARG A 119 13.622 -8.839 -5.466 1.00 0.20 H new ATOM 0 HB2 ARG A 119 11.265 -8.203 -7.146 1.00 0.25 H new ATOM 0 HB3 ARG A 119 12.549 -7.011 -7.122 1.00 0.25 H new ATOM 0 HG2 ARG A 119 13.853 -9.502 -7.258 1.00 0.33 H new ATOM 0 HG3 ARG A 119 12.495 -9.633 -8.358 1.00 0.33 H new ATOM 0 HD2 ARG A 119 13.162 -7.443 -9.385 1.00 0.33 H new ATOM 0 HD3 ARG A 119 14.561 -7.403 -8.330 1.00 0.33 H new ATOM 0 HE ARG A 119 14.868 -9.831 -9.550 1.00 0.55 H new ATOM 0 HH11 ARG A 119 14.182 -6.592 -10.799 1.00 1.48 H new ATOM 0 HH12 ARG A 119 15.006 -6.889 -12.333 1.00 1.48 H new ATOM 0 HH21 ARG A 119 15.931 -10.189 -11.514 1.00 1.19 H new ATOM 0 HH22 ARG A 119 15.990 -8.913 -12.735 1.00 1.19 H new ATOM 1138 N PRO A 120 13.353 -7.323 -3.549 1.00 0.19 N ATOM 1139 CA PRO A 120 13.598 -6.237 -2.611 1.00 0.19 C ATOM 1140 C PRO A 120 14.376 -5.076 -3.246 1.00 0.20 C ATOM 1141 O PRO A 120 14.508 -4.009 -2.646 1.00 0.21 O ATOM 1142 CB PRO A 120 14.390 -6.920 -1.498 1.00 0.23 C ATOM 1143 CG PRO A 120 15.002 -8.102 -2.148 1.00 0.25 C ATOM 1144 CD PRO A 120 13.960 -8.583 -3.102 1.00 0.22 C ATOM 0 HA PRO A 120 12.679 -5.769 -2.258 1.00 0.19 H new ATOM 0 HB2 PRO A 120 15.150 -6.256 -1.087 1.00 0.23 H new ATOM 0 HB3 PRO A 120 13.742 -7.213 -0.672 1.00 0.23 H new ATOM 0 HG2 PRO A 120 15.924 -7.837 -2.667 1.00 0.25 H new ATOM 0 HG3 PRO A 120 15.256 -8.870 -1.417 1.00 0.25 H new ATOM 0 HD2 PRO A 120 14.393 -9.144 -3.930 1.00 0.22 H new ATOM 0 HD3 PRO A 120 13.234 -9.237 -2.618 1.00 0.22 H new ATOM 1152 N ALA A 121 14.891 -5.278 -4.464 1.00 0.20 N ATOM 1153 CA ALA A 121 15.465 -4.175 -5.224 1.00 0.22 C ATOM 1154 C ALA A 121 14.351 -3.336 -5.818 1.00 0.19 C ATOM 1155 O ALA A 121 14.420 -2.109 -5.868 1.00 0.21 O ATOM 1156 CB ALA A 121 16.361 -4.691 -6.332 1.00 0.25 C ATOM 0 H ALA A 121 14.920 -6.183 -4.934 1.00 0.20 H new ATOM 0 HA ALA A 121 16.067 -3.566 -4.550 1.00 0.22 H new ATOM 0 HB1 ALA A 121 16.777 -3.849 -6.885 1.00 0.25 H new ATOM 0 HB2 ALA A 121 17.172 -5.278 -5.901 1.00 0.25 H new ATOM 0 HB3 ALA A 121 15.779 -5.317 -7.008 1.00 0.25 H new ATOM 1162 N LYS A 122 13.306 -4.029 -6.230 1.00 0.16 N ATOM 1163 CA LYS A 122 12.158 -3.405 -6.856 1.00 0.16 C ATOM 1164 C LYS A 122 11.173 -2.924 -5.812 1.00 0.11 C ATOM 1165 O LYS A 122 10.110 -2.426 -6.149 1.00 0.11 O ATOM 1166 CB LYS A 122 11.473 -4.374 -7.797 1.00 0.20 C ATOM 1167 CG LYS A 122 12.347 -4.794 -8.948 1.00 0.27 C ATOM 1168 CD LYS A 122 11.575 -4.818 -10.242 1.00 0.41 C ATOM 1169 CE LYS A 122 10.344 -5.668 -10.128 1.00 0.79 C ATOM 1170 NZ LYS A 122 9.576 -5.703 -11.398 1.00 1.07 N ATOM 0 H LYS A 122 13.230 -5.042 -6.139 1.00 0.16 H new ATOM 0 HA LYS A 122 12.512 -2.547 -7.427 1.00 0.16 H new ATOM 0 HB2 LYS A 122 11.167 -5.259 -7.239 1.00 0.20 H new ATOM 0 HB3 LYS A 122 10.565 -3.913 -8.187 1.00 0.20 H new ATOM 0 HG2 LYS A 122 13.189 -4.108 -9.037 1.00 0.27 H new ATOM 0 HG3 LYS A 122 12.761 -5.783 -8.751 1.00 0.27 H new ATOM 0 HD2 LYS A 122 11.293 -3.802 -10.519 1.00 0.41 H new ATOM 0 HD3 LYS A 122 12.211 -5.201 -11.040 1.00 0.41 H new ATOM 0 HE2 LYS A 122 10.628 -6.682 -9.847 1.00 0.79 H new ATOM 0 HE3 LYS A 122 9.709 -5.282 -9.330 1.00 0.79 H new ATOM 0 HZ1 LYS A 122 8.733 -6.300 -11.278 1.00 1.07 H new ATOM 0 HZ2 LYS A 122 9.283 -4.738 -11.653 1.00 1.07 H new ATOM 0 HZ3 LYS A 122 10.173 -6.095 -12.154 1.00 1.07 H new ATOM 1184 N LEU A 123 11.510 -3.125 -4.545 1.00 0.10 N ATOM 1185 CA LEU A 123 10.716 -2.613 -3.442 1.00 0.08 C ATOM 1186 C LEU A 123 10.294 -1.169 -3.662 1.00 0.08 C ATOM 1187 O LEU A 123 9.145 -0.835 -3.452 1.00 0.13 O ATOM 1188 CB LEU A 123 11.503 -2.723 -2.151 1.00 0.12 C ATOM 1189 CG LEU A 123 10.779 -2.224 -0.911 1.00 0.14 C ATOM 1190 CD1 LEU A 123 9.468 -2.960 -0.723 1.00 0.12 C ATOM 1191 CD2 LEU A 123 11.663 -2.392 0.296 1.00 0.23 C ATOM 0 H LEU A 123 12.338 -3.646 -4.256 1.00 0.10 H new ATOM 0 HA LEU A 123 9.810 -3.216 -3.382 1.00 0.08 H new ATOM 0 HB2 LEU A 123 11.776 -3.767 -1.998 1.00 0.12 H new ATOM 0 HB3 LEU A 123 12.432 -2.163 -2.261 1.00 0.12 H new ATOM 0 HG LEU A 123 10.552 -1.165 -1.037 1.00 0.14 H new ATOM 0 HD11 LEU A 123 8.966 -2.587 0.170 1.00 0.12 H new ATOM 0 HD12 LEU A 123 8.831 -2.796 -1.592 1.00 0.12 H new ATOM 0 HD13 LEU A 123 9.662 -4.027 -0.611 1.00 0.12 H new ATOM 0 HD21 LEU A 123 11.140 -2.033 1.183 1.00 0.23 H new ATOM 0 HD22 LEU A 123 11.910 -3.446 0.422 1.00 0.23 H new ATOM 0 HD23 LEU A 123 12.580 -1.819 0.158 1.00 0.23 H new ATOM 1203 N TYR A 124 11.211 -0.327 -4.113 1.00 0.11 N ATOM 1204 CA TYR A 124 10.902 1.044 -4.419 1.00 0.10 C ATOM 1205 C TYR A 124 9.875 1.141 -5.530 1.00 0.11 C ATOM 1206 O TYR A 124 9.059 2.044 -5.531 1.00 0.14 O ATOM 1207 CB TYR A 124 12.188 1.765 -4.777 1.00 0.14 C ATOM 1208 CG TYR A 124 13.089 1.817 -3.590 1.00 0.57 C ATOM 1209 CD1 TYR A 124 12.522 2.010 -2.363 1.00 0.33 C ATOM 1210 CD2 TYR A 124 14.462 1.668 -3.674 1.00 1.30 C ATOM 1211 CE1 TYR A 124 13.275 2.058 -1.227 1.00 0.74 C ATOM 1212 CE2 TYR A 124 15.243 1.715 -2.536 1.00 1.74 C ATOM 1213 CZ TYR A 124 14.642 1.913 -1.308 1.00 1.45 C ATOM 1214 OH TYR A 124 15.401 1.956 -0.158 1.00 1.89 O ATOM 0 H TYR A 124 12.185 -0.583 -4.274 1.00 0.11 H new ATOM 0 HA TYR A 124 10.457 1.522 -3.546 1.00 0.10 H new ATOM 0 HB2 TYR A 124 12.686 1.252 -5.600 1.00 0.14 H new ATOM 0 HB3 TYR A 124 11.965 2.775 -5.120 1.00 0.14 H new ATOM 0 HD1 TYR A 124 11.451 2.128 -2.290 1.00 0.33 H new ATOM 0 HD2 TYR A 124 14.926 1.514 -4.637 1.00 1.30 H new ATOM 0 HE1 TYR A 124 12.801 2.209 -0.268 1.00 0.74 H new ATOM 0 HE2 TYR A 124 16.314 1.598 -2.605 1.00 1.74 H new ATOM 0 HH TYR A 124 16.325 2.192 -0.384 1.00 1.89 H new ATOM 1224 N VAL A 125 9.865 0.181 -6.441 1.00 0.10 N ATOM 1225 CA VAL A 125 8.850 0.154 -7.482 1.00 0.12 C ATOM 1226 C VAL A 125 7.504 -0.032 -6.829 1.00 0.11 C ATOM 1227 O VAL A 125 6.551 0.675 -7.114 1.00 0.14 O ATOM 1228 CB VAL A 125 9.048 -1.027 -8.447 1.00 0.15 C ATOM 1229 CG1 VAL A 125 8.005 -0.997 -9.541 1.00 0.20 C ATOM 1230 CG2 VAL A 125 10.443 -1.031 -9.025 1.00 0.18 C ATOM 0 H VAL A 125 10.540 -0.582 -6.481 1.00 0.10 H new ATOM 0 HA VAL A 125 8.921 1.088 -8.040 1.00 0.12 H new ATOM 0 HB VAL A 125 8.924 -1.951 -7.883 1.00 0.15 H new ATOM 0 HG11 VAL A 125 8.160 -1.840 -10.215 1.00 0.20 H new ATOM 0 HG12 VAL A 125 7.011 -1.064 -9.098 1.00 0.20 H new ATOM 0 HG13 VAL A 125 8.091 -0.065 -10.100 1.00 0.20 H new ATOM 0 HG21 VAL A 125 10.553 -1.877 -9.703 1.00 0.18 H new ATOM 0 HG22 VAL A 125 10.613 -0.103 -9.571 1.00 0.18 H new ATOM 0 HG23 VAL A 125 11.171 -1.116 -8.218 1.00 0.18 H new ATOM 1240 N TYR A 126 7.485 -0.991 -5.929 1.00 0.07 N ATOM 1241 CA TYR A 126 6.302 -1.400 -5.193 1.00 0.08 C ATOM 1242 C TYR A 126 5.858 -0.314 -4.222 1.00 0.08 C ATOM 1243 O TYR A 126 4.676 0.006 -4.131 1.00 0.10 O ATOM 1244 CB TYR A 126 6.659 -2.683 -4.452 1.00 0.11 C ATOM 1245 CG TYR A 126 7.307 -3.712 -5.343 1.00 0.15 C ATOM 1246 CD1 TYR A 126 6.880 -3.920 -6.650 1.00 0.18 C ATOM 1247 CD2 TYR A 126 8.364 -4.458 -4.879 1.00 0.21 C ATOM 1248 CE1 TYR A 126 7.499 -4.855 -7.457 1.00 0.25 C ATOM 1249 CE2 TYR A 126 8.980 -5.395 -5.680 1.00 0.27 C ATOM 1250 CZ TYR A 126 8.546 -5.588 -6.959 1.00 0.28 C ATOM 1251 OH TYR A 126 9.150 -6.542 -7.732 1.00 0.36 O ATOM 0 H TYR A 126 8.317 -1.526 -5.679 1.00 0.07 H new ATOM 0 HA TYR A 126 5.467 -1.569 -5.873 1.00 0.08 H new ATOM 0 HB2 TYR A 126 7.333 -2.446 -3.629 1.00 0.11 H new ATOM 0 HB3 TYR A 126 5.756 -3.107 -4.013 1.00 0.11 H new ATOM 0 HD1 TYR A 126 6.054 -3.343 -7.039 1.00 0.18 H new ATOM 0 HD2 TYR A 126 8.718 -4.307 -3.870 1.00 0.21 H new ATOM 0 HE1 TYR A 126 7.161 -5.008 -8.471 1.00 0.25 H new ATOM 0 HE2 TYR A 126 9.805 -5.976 -5.296 1.00 0.27 H new ATOM 0 HH TYR A 126 9.278 -7.358 -7.204 1.00 0.36 H new ATOM 1261 N ILE A 127 6.816 0.240 -3.497 1.00 0.08 N ATOM 1262 CA ILE A 127 6.582 1.369 -2.616 1.00 0.11 C ATOM 1263 C ILE A 127 6.000 2.524 -3.403 1.00 0.12 C ATOM 1264 O ILE A 127 4.942 3.051 -3.068 1.00 0.14 O ATOM 1265 CB ILE A 127 7.905 1.808 -1.961 1.00 0.11 C ATOM 1266 CG1 ILE A 127 8.402 0.725 -1.018 1.00 0.12 C ATOM 1267 CG2 ILE A 127 7.760 3.124 -1.221 1.00 0.12 C ATOM 1268 CD1 ILE A 127 9.864 0.859 -0.686 1.00 0.13 C ATOM 0 H ILE A 127 7.783 -0.084 -3.504 1.00 0.08 H new ATOM 0 HA ILE A 127 5.878 1.070 -1.839 1.00 0.11 H new ATOM 0 HB ILE A 127 8.635 1.959 -2.756 1.00 0.11 H new ATOM 0 HG12 ILE A 127 7.821 0.759 -0.096 1.00 0.12 H new ATOM 0 HG13 ILE A 127 8.226 -0.251 -1.470 1.00 0.12 H new ATOM 0 HG21 ILE A 127 8.716 3.397 -0.774 1.00 0.12 H new ATOM 0 HG22 ILE A 127 7.450 3.902 -1.919 1.00 0.12 H new ATOM 0 HG23 ILE A 127 7.009 3.020 -0.437 1.00 0.12 H new ATOM 0 HD11 ILE A 127 10.158 0.057 -0.009 1.00 0.13 H new ATOM 0 HD12 ILE A 127 10.452 0.796 -1.601 1.00 0.13 H new ATOM 0 HD13 ILE A 127 10.041 1.822 -0.207 1.00 0.13 H new ATOM 1280 N ASN A 128 6.698 2.898 -4.469 1.00 0.12 N ATOM 1281 CA ASN A 128 6.228 3.967 -5.347 1.00 0.15 C ATOM 1282 C ASN A 128 4.880 3.587 -5.954 1.00 0.12 C ATOM 1283 O ASN A 128 4.020 4.437 -6.152 1.00 0.12 O ATOM 1284 CB ASN A 128 7.224 4.263 -6.481 1.00 0.20 C ATOM 1285 CG ASN A 128 8.561 4.861 -6.038 1.00 0.30 C ATOM 1286 OD1 ASN A 128 9.194 5.596 -6.797 1.00 0.82 O ATOM 1287 ND2 ASN A 128 8.996 4.584 -4.813 1.00 0.42 N ATOM 0 H ASN A 128 7.586 2.481 -4.747 1.00 0.12 H new ATOM 0 HA ASN A 128 6.130 4.866 -4.738 1.00 0.15 H new ATOM 0 HB2 ASN A 128 7.420 3.337 -7.021 1.00 0.20 H new ATOM 0 HB3 ASN A 128 6.754 4.949 -7.186 1.00 0.20 H new ATOM 0 HD21 ASN A 128 9.874 4.983 -4.481 1.00 0.42 H new ATOM 0 HD22 ASN A 128 8.452 3.972 -4.205 1.00 0.42 H new ATOM 1294 N GLU A 129 4.709 2.299 -6.233 1.00 0.11 N ATOM 1295 CA GLU A 129 3.488 1.777 -6.825 1.00 0.10 C ATOM 1296 C GLU A 129 2.303 1.953 -5.901 1.00 0.09 C ATOM 1297 O GLU A 129 1.282 2.512 -6.284 1.00 0.14 O ATOM 1298 CB GLU A 129 3.652 0.301 -7.167 1.00 0.14 C ATOM 1299 CG GLU A 129 3.305 0.012 -8.588 1.00 0.26 C ATOM 1300 CD GLU A 129 3.597 -1.406 -9.014 1.00 1.41 C ATOM 1301 OE1 GLU A 129 2.723 -2.280 -8.834 1.00 1.55 O ATOM 1302 OE2 GLU A 129 4.715 -1.666 -9.507 1.00 2.29 O ATOM 0 H GLU A 129 5.417 1.587 -6.053 1.00 0.11 H new ATOM 0 HA GLU A 129 3.299 2.344 -7.737 1.00 0.10 H new ATOM 0 HB2 GLU A 129 4.682 -0.002 -6.977 1.00 0.14 H new ATOM 0 HB3 GLU A 129 3.018 -0.295 -6.511 1.00 0.14 H new ATOM 0 HG2 GLU A 129 2.245 0.216 -8.741 1.00 0.26 H new ATOM 0 HG3 GLU A 129 3.858 0.695 -9.233 1.00 0.26 H new ATOM 1309 N LEU A 130 2.457 1.472 -4.689 1.00 0.07 N ATOM 1310 CA LEU A 130 1.421 1.576 -3.681 1.00 0.08 C ATOM 1311 C LEU A 130 1.180 3.041 -3.343 1.00 0.09 C ATOM 1312 O LEU A 130 0.048 3.459 -3.132 1.00 0.10 O ATOM 1313 CB LEU A 130 1.834 0.807 -2.440 1.00 0.08 C ATOM 1314 CG LEU A 130 0.685 0.144 -1.698 1.00 0.09 C ATOM 1315 CD1 LEU A 130 0.139 -1.025 -2.497 1.00 0.10 C ATOM 1316 CD2 LEU A 130 1.148 -0.304 -0.330 1.00 0.08 C ATOM 0 H LEU A 130 3.302 0.998 -4.372 1.00 0.07 H new ATOM 0 HA LEU A 130 0.495 1.148 -4.066 1.00 0.08 H new ATOM 0 HB2 LEU A 130 2.555 0.041 -2.726 1.00 0.08 H new ATOM 0 HB3 LEU A 130 2.345 1.488 -1.759 1.00 0.08 H new ATOM 0 HG LEU A 130 -0.121 0.867 -1.572 1.00 0.09 H new ATOM 0 HD11 LEU A 130 -0.683 -1.487 -1.950 1.00 0.10 H new ATOM 0 HD12 LEU A 130 -0.222 -0.669 -3.462 1.00 0.10 H new ATOM 0 HD13 LEU A 130 0.929 -1.759 -2.654 1.00 0.10 H new ATOM 0 HD21 LEU A 130 0.320 -0.778 0.197 1.00 0.08 H new ATOM 0 HD22 LEU A 130 1.966 -1.017 -0.438 1.00 0.08 H new ATOM 0 HD23 LEU A 130 1.493 0.560 0.238 1.00 0.08 H new ATOM 1328 N CYS A 131 2.258 3.817 -3.316 1.00 0.11 N ATOM 1329 CA CYS A 131 2.157 5.257 -3.143 1.00 0.13 C ATOM 1330 C CYS A 131 1.333 5.858 -4.282 1.00 0.13 C ATOM 1331 O CYS A 131 0.478 6.714 -4.061 1.00 0.14 O ATOM 1332 CB CYS A 131 3.558 5.883 -3.108 1.00 0.18 C ATOM 1333 SG CYS A 131 3.572 7.688 -3.202 1.00 1.39 S ATOM 0 H CYS A 131 3.212 3.470 -3.412 1.00 0.11 H new ATOM 0 HA CYS A 131 1.659 5.470 -2.197 1.00 0.13 H new ATOM 0 HB2 CYS A 131 4.057 5.575 -2.189 1.00 0.18 H new ATOM 0 HB3 CYS A 131 4.142 5.484 -3.937 1.00 0.18 H new ATOM 0 HG CYS A 131 4.345 8.165 -2.272 1.00 1.39 H new ATOM 1339 N THR A 132 1.590 5.376 -5.494 1.00 0.12 N ATOM 1340 CA THR A 132 0.852 5.801 -6.677 1.00 0.14 C ATOM 1341 C THR A 132 -0.611 5.403 -6.534 1.00 0.11 C ATOM 1342 O THR A 132 -1.513 6.201 -6.764 1.00 0.15 O ATOM 1343 CB THR A 132 1.445 5.163 -7.957 1.00 0.17 C ATOM 1344 OG1 THR A 132 2.788 5.622 -8.158 1.00 0.20 O ATOM 1345 CG2 THR A 132 0.612 5.486 -9.186 1.00 0.24 C ATOM 0 H THR A 132 2.313 4.682 -5.683 1.00 0.12 H new ATOM 0 HA THR A 132 0.932 6.884 -6.765 1.00 0.14 H new ATOM 0 HB THR A 132 1.439 4.082 -7.817 1.00 0.17 H new ATOM 0 HG1 THR A 132 3.404 5.075 -7.626 1.00 0.20 H new ATOM 0 HG21 THR A 132 1.061 5.020 -10.063 1.00 0.24 H new ATOM 0 HG22 THR A 132 -0.400 5.104 -9.051 1.00 0.24 H new ATOM 0 HG23 THR A 132 0.576 6.566 -9.327 1.00 0.24 H new ATOM 1353 N VAL A 133 -0.813 4.155 -6.150 1.00 0.09 N ATOM 1354 CA VAL A 133 -2.123 3.602 -5.849 1.00 0.07 C ATOM 1355 C VAL A 133 -2.905 4.457 -4.859 1.00 0.07 C ATOM 1356 O VAL A 133 -4.055 4.822 -5.108 1.00 0.08 O ATOM 1357 CB VAL A 133 -1.939 2.186 -5.284 1.00 0.07 C ATOM 1358 CG1 VAL A 133 -3.152 1.697 -4.516 1.00 0.08 C ATOM 1359 CG2 VAL A 133 -1.614 1.234 -6.412 1.00 0.10 C ATOM 0 H VAL A 133 -0.055 3.483 -6.036 1.00 0.09 H new ATOM 0 HA VAL A 133 -2.702 3.580 -6.772 1.00 0.07 H new ATOM 0 HB VAL A 133 -1.114 2.221 -4.572 1.00 0.07 H new ATOM 0 HG11 VAL A 133 -2.964 0.691 -4.141 1.00 0.08 H new ATOM 0 HG12 VAL A 133 -3.346 2.367 -3.678 1.00 0.08 H new ATOM 0 HG13 VAL A 133 -4.019 1.681 -5.177 1.00 0.08 H new ATOM 0 HG21 VAL A 133 -1.483 0.228 -6.013 1.00 0.10 H new ATOM 0 HG22 VAL A 133 -2.430 1.234 -7.135 1.00 0.10 H new ATOM 0 HG23 VAL A 133 -0.694 1.552 -6.903 1.00 0.10 H new ATOM 1369 N LEU A 134 -2.278 4.778 -3.747 1.00 0.10 N ATOM 1370 CA LEU A 134 -2.937 5.529 -2.696 1.00 0.11 C ATOM 1371 C LEU A 134 -3.134 6.989 -3.108 1.00 0.14 C ATOM 1372 O LEU A 134 -4.083 7.642 -2.678 1.00 0.18 O ATOM 1373 CB LEU A 134 -2.123 5.413 -1.414 1.00 0.12 C ATOM 1374 CG LEU A 134 -1.923 3.974 -0.923 1.00 0.12 C ATOM 1375 CD1 LEU A 134 -1.078 3.942 0.336 1.00 0.17 C ATOM 1376 CD2 LEU A 134 -3.264 3.309 -0.683 1.00 0.16 C ATOM 0 H LEU A 134 -1.309 4.530 -3.546 1.00 0.10 H new ATOM 0 HA LEU A 134 -3.929 5.113 -2.520 1.00 0.11 H new ATOM 0 HB2 LEU A 134 -1.146 5.869 -1.575 1.00 0.12 H new ATOM 0 HB3 LEU A 134 -2.617 5.987 -0.630 1.00 0.12 H new ATOM 0 HG LEU A 134 -1.393 3.420 -1.697 1.00 0.12 H new ATOM 0 HD11 LEU A 134 -0.951 2.910 0.663 1.00 0.17 H new ATOM 0 HD12 LEU A 134 -0.101 4.380 0.130 1.00 0.17 H new ATOM 0 HD13 LEU A 134 -1.573 4.513 1.121 1.00 0.17 H new ATOM 0 HD21 LEU A 134 -3.107 2.288 -0.335 1.00 0.16 H new ATOM 0 HD22 LEU A 134 -3.818 3.868 0.071 1.00 0.16 H new ATOM 0 HD23 LEU A 134 -3.833 3.292 -1.612 1.00 0.16 H new ATOM 1388 N LYS A 135 -2.241 7.482 -3.959 1.00 0.14 N ATOM 1389 CA LYS A 135 -2.354 8.807 -4.529 1.00 0.17 C ATOM 1390 C LYS A 135 -3.464 8.815 -5.565 1.00 0.15 C ATOM 1391 O LYS A 135 -4.128 9.825 -5.797 1.00 0.18 O ATOM 1392 CB LYS A 135 -1.029 9.187 -5.193 1.00 0.23 C ATOM 1393 CG LYS A 135 -0.543 10.567 -4.822 1.00 0.56 C ATOM 1394 CD LYS A 135 -1.558 11.623 -5.201 1.00 0.68 C ATOM 1395 CE LYS A 135 -1.569 11.881 -6.701 1.00 1.32 C ATOM 1396 NZ LYS A 135 -0.237 12.320 -7.194 1.00 1.82 N ATOM 0 H LYS A 135 -1.417 6.967 -4.270 1.00 0.14 H new ATOM 0 HA LYS A 135 -2.586 9.527 -3.744 1.00 0.17 H new ATOM 0 HB2 LYS A 135 -0.270 8.456 -4.915 1.00 0.23 H new ATOM 0 HB3 LYS A 135 -1.145 9.130 -6.275 1.00 0.23 H new ATOM 0 HG2 LYS A 135 -0.350 10.612 -3.750 1.00 0.56 H new ATOM 0 HG3 LYS A 135 0.403 10.770 -5.325 1.00 0.56 H new ATOM 0 HD2 LYS A 135 -2.550 11.306 -4.879 1.00 0.68 H new ATOM 0 HD3 LYS A 135 -1.333 12.550 -4.674 1.00 0.68 H new ATOM 0 HE2 LYS A 135 -1.869 10.973 -7.224 1.00 1.32 H new ATOM 0 HE3 LYS A 135 -2.312 12.644 -6.934 1.00 1.32 H new ATOM 0 HZ1 LYS A 135 -0.356 13.117 -7.851 1.00 1.82 H new ATOM 0 HZ2 LYS A 135 0.350 12.619 -6.389 1.00 1.82 H new ATOM 0 HZ3 LYS A 135 0.228 11.531 -7.687 1.00 1.82 H new ATOM 1410 N ALA A 136 -3.667 7.659 -6.167 1.00 0.13 N ATOM 1411 CA ALA A 136 -4.645 7.498 -7.210 1.00 0.14 C ATOM 1412 C ALA A 136 -6.033 7.424 -6.610 1.00 0.16 C ATOM 1413 O ALA A 136 -7.006 7.920 -7.175 1.00 0.21 O ATOM 1414 CB ALA A 136 -4.339 6.235 -8.002 1.00 0.17 C ATOM 0 H ALA A 136 -3.154 6.807 -5.941 1.00 0.13 H new ATOM 0 HA ALA A 136 -4.605 8.355 -7.882 1.00 0.14 H new ATOM 0 HB1 ALA A 136 -5.080 6.113 -8.792 1.00 0.17 H new ATOM 0 HB2 ALA A 136 -3.346 6.315 -8.445 1.00 0.17 H new ATOM 0 HB3 ALA A 136 -4.372 5.372 -7.337 1.00 0.17 H new ATOM 1420 N HIS A 137 -6.103 6.809 -5.442 1.00 0.18 N ATOM 1421 CA HIS A 137 -7.373 6.546 -4.790 1.00 0.23 C ATOM 1422 C HIS A 137 -7.425 7.226 -3.432 1.00 0.24 C ATOM 1423 O HIS A 137 -7.844 6.634 -2.438 1.00 0.25 O ATOM 1424 CB HIS A 137 -7.583 5.037 -4.654 1.00 0.24 C ATOM 1425 CG HIS A 137 -7.310 4.295 -5.927 1.00 0.26 C ATOM 1426 ND1 HIS A 137 -7.855 4.655 -7.133 1.00 0.29 N ATOM 1427 CD2 HIS A 137 -6.502 3.243 -6.185 1.00 0.30 C ATOM 1428 CE1 HIS A 137 -7.392 3.862 -8.076 1.00 0.32 C ATOM 1429 NE2 HIS A 137 -6.570 2.987 -7.530 1.00 0.34 N ATOM 0 H HIS A 137 -5.289 6.481 -4.923 1.00 0.18 H new ATOM 0 HA HIS A 137 -8.178 6.956 -5.400 1.00 0.23 H new ATOM 0 HB2 HIS A 137 -6.932 4.654 -3.869 1.00 0.24 H new ATOM 0 HB3 HIS A 137 -8.609 4.845 -4.340 1.00 0.24 H new ATOM 0 HD2 HIS A 137 -5.910 2.702 -5.462 1.00 0.30 H new ATOM 0 HE1 HIS A 137 -7.644 3.919 -9.125 1.00 0.32 H new ATOM 0 HE2 HIS A 137 -6.071 2.247 -8.024 1.00 0.34 H new ATOM 1438 N SER A 138 -6.971 8.468 -3.400 1.00 0.26 N ATOM 1439 CA SER A 138 -7.087 9.295 -2.228 1.00 0.30 C ATOM 1440 C SER A 138 -8.551 9.659 -1.997 1.00 0.36 C ATOM 1441 O SER A 138 -9.259 10.001 -2.944 1.00 0.56 O ATOM 1442 CB SER A 138 -6.238 10.534 -2.431 1.00 0.40 C ATOM 1443 OG SER A 138 -4.853 10.221 -2.409 1.00 1.23 O ATOM 0 H SER A 138 -6.513 8.924 -4.189 1.00 0.26 H new ATOM 0 HA SER A 138 -6.734 8.762 -1.345 1.00 0.30 H new ATOM 0 HB2 SER A 138 -6.492 11.000 -3.383 1.00 0.40 H new ATOM 0 HB3 SER A 138 -6.461 11.262 -1.651 1.00 0.40 H new ATOM 0 HG SER A 138 -4.727 9.277 -2.642 1.00 1.23 H new ATOM 1449 N ALA A 139 -9.002 9.569 -0.751 1.00 0.26 N ATOM 1450 CA ALA A 139 -10.430 9.618 -0.439 1.00 0.34 C ATOM 1451 C ALA A 139 -11.106 10.863 -0.989 1.00 0.72 C ATOM 1452 O ALA A 139 -12.103 10.778 -1.713 1.00 1.10 O ATOM 1453 CB ALA A 139 -10.639 9.514 1.059 1.00 0.26 C ATOM 0 H ALA A 139 -8.398 9.461 0.064 1.00 0.26 H new ATOM 0 HA ALA A 139 -10.898 8.765 -0.930 1.00 0.34 H new ATOM 0 HB1 ALA A 139 -11.705 9.551 1.281 1.00 0.26 H new ATOM 0 HB2 ALA A 139 -10.226 8.572 1.419 1.00 0.26 H new ATOM 0 HB3 ALA A 139 -10.136 10.344 1.555 1.00 0.26 H new ATOM 1459 N LYS A 140 -10.558 12.010 -0.648 1.00 1.04 N ATOM 1460 CA LYS A 140 -11.060 13.270 -1.149 1.00 1.45 C ATOM 1461 C LYS A 140 -10.026 13.902 -2.062 1.00 1.34 C ATOM 1462 O LYS A 140 -9.369 14.878 -1.704 1.00 1.80 O ATOM 1463 CB LYS A 140 -11.444 14.205 0.003 1.00 2.25 C ATOM 1464 CG LYS A 140 -10.513 14.129 1.204 1.00 3.01 C ATOM 1465 CD LYS A 140 -11.056 14.935 2.370 1.00 3.61 C ATOM 1466 CE LYS A 140 -10.919 16.432 2.134 1.00 4.40 C ATOM 1467 NZ LYS A 140 -9.505 16.880 2.242 1.00 4.94 N ATOM 0 H LYS A 140 -9.758 12.095 -0.021 1.00 1.04 H new ATOM 0 HA LYS A 140 -11.966 13.089 -1.727 1.00 1.45 H new ATOM 0 HB2 LYS A 140 -11.460 15.231 -0.366 1.00 2.25 H new ATOM 0 HB3 LYS A 140 -12.457 13.967 0.327 1.00 2.25 H new ATOM 0 HG2 LYS A 140 -10.387 13.089 1.505 1.00 3.01 H new ATOM 0 HG3 LYS A 140 -9.527 14.503 0.928 1.00 3.01 H new ATOM 0 HD2 LYS A 140 -12.106 14.686 2.526 1.00 3.61 H new ATOM 0 HD3 LYS A 140 -10.524 14.660 3.281 1.00 3.61 H new ATOM 0 HE2 LYS A 140 -11.305 16.681 1.146 1.00 4.40 H new ATOM 0 HE3 LYS A 140 -11.528 16.972 2.859 1.00 4.40 H new ATOM 0 HZ1 LYS A 140 -9.472 17.919 2.279 1.00 4.94 H new ATOM 0 HZ2 LYS A 140 -9.082 16.489 3.108 1.00 4.94 H new ATOM 0 HZ3 LYS A 140 -8.971 16.546 1.415 1.00 4.94 H new ATOM 1481 N LYS A 141 -9.857 13.293 -3.231 1.00 1.51 N ATOM 1482 CA LYS A 141 -8.923 13.786 -4.226 1.00 2.10 C ATOM 1483 C LYS A 141 -9.455 15.090 -4.815 1.00 2.90 C ATOM 1484 O LYS A 141 -8.751 16.103 -4.840 1.00 3.44 O ATOM 1485 CB LYS A 141 -8.715 12.732 -5.306 1.00 2.17 C ATOM 1486 CG LYS A 141 -7.404 12.888 -6.050 1.00 2.04 C ATOM 1487 CD LYS A 141 -7.073 11.639 -6.842 1.00 2.31 C ATOM 1488 CE LYS A 141 -8.163 11.296 -7.847 1.00 3.03 C ATOM 1489 NZ LYS A 141 -7.834 10.071 -8.622 1.00 3.84 N ATOM 0 H LYS A 141 -10.361 12.451 -3.510 1.00 1.51 H new ATOM 0 HA LYS A 141 -7.956 13.986 -3.764 1.00 2.10 H new ATOM 0 HB2 LYS A 141 -8.751 11.743 -4.850 1.00 2.17 H new ATOM 0 HB3 LYS A 141 -9.538 12.785 -6.019 1.00 2.17 H new ATOM 0 HG2 LYS A 141 -7.464 13.744 -6.723 1.00 2.04 H new ATOM 0 HG3 LYS A 141 -6.603 13.096 -5.341 1.00 2.04 H new ATOM 0 HD2 LYS A 141 -6.128 11.782 -7.366 1.00 2.31 H new ATOM 0 HD3 LYS A 141 -6.934 10.802 -6.158 1.00 2.31 H new ATOM 0 HE2 LYS A 141 -9.108 11.152 -7.323 1.00 3.03 H new ATOM 0 HE3 LYS A 141 -8.302 12.133 -8.532 1.00 3.03 H new ATOM 0 HZ1 LYS A 141 -8.711 9.640 -8.978 1.00 3.84 H new ATOM 0 HZ2 LYS A 141 -7.221 10.322 -9.424 1.00 3.84 H new ATOM 0 HZ3 LYS A 141 -7.340 9.393 -8.007 1.00 3.84 H new ATOM 1503 N LYS A 142 -10.689 15.042 -5.324 1.00 3.43 N ATOM 1504 CA LYS A 142 -11.456 16.258 -5.585 1.00 4.37 C ATOM 1505 C LYS A 142 -11.567 17.075 -4.302 1.00 4.96 C ATOM 1506 O LYS A 142 -11.446 16.531 -3.206 1.00 5.45 O ATOM 1507 CB LYS A 142 -12.855 15.913 -6.115 1.00 5.00 C ATOM 1508 CG LYS A 142 -13.020 16.117 -7.615 1.00 5.31 C ATOM 1509 CD LYS A 142 -12.048 15.272 -8.422 1.00 5.43 C ATOM 1510 CE LYS A 142 -12.203 15.519 -9.916 1.00 6.16 C ATOM 1511 NZ LYS A 142 -11.995 16.949 -10.265 1.00 6.56 N ATOM 0 H LYS A 142 -11.175 14.177 -5.562 1.00 3.43 H new ATOM 0 HA LYS A 142 -10.939 16.845 -6.344 1.00 4.37 H new ATOM 0 HB2 LYS A 142 -13.077 14.873 -5.874 1.00 5.00 H new ATOM 0 HB3 LYS A 142 -13.591 16.525 -5.593 1.00 5.00 H new ATOM 0 HG2 LYS A 142 -14.041 15.867 -7.903 1.00 5.31 H new ATOM 0 HG3 LYS A 142 -12.869 17.169 -7.855 1.00 5.31 H new ATOM 0 HD2 LYS A 142 -11.026 15.500 -8.118 1.00 5.43 H new ATOM 0 HD3 LYS A 142 -12.216 14.217 -8.207 1.00 5.43 H new ATOM 0 HE2 LYS A 142 -11.487 14.904 -10.462 1.00 6.16 H new ATOM 0 HE3 LYS A 142 -13.198 15.209 -10.234 1.00 6.16 H new ATOM 0 HZ1 LYS A 142 -11.839 17.037 -11.289 1.00 6.56 H new ATOM 0 HZ2 LYS A 142 -12.836 17.498 -9.994 1.00 6.56 H new ATOM 0 HZ3 LYS A 142 -11.165 17.313 -9.756 1.00 6.56 H new ATOM 1525 N LEU A 143 -11.851 18.363 -4.428 1.00 5.33 N ATOM 1526 CA LEU A 143 -11.738 19.285 -3.304 1.00 6.23 C ATOM 1527 C LEU A 143 -12.547 20.538 -3.594 1.00 7.01 C ATOM 1528 O LEU A 143 -12.172 21.643 -3.199 1.00 7.76 O ATOM 1529 CB LEU A 143 -10.273 19.676 -3.045 1.00 6.61 C ATOM 1530 CG LEU A 143 -9.412 18.616 -2.353 1.00 6.79 C ATOM 1531 CD1 LEU A 143 -7.975 19.094 -2.238 1.00 7.64 C ATOM 1532 CD2 LEU A 143 -9.971 18.291 -0.976 1.00 6.92 C ATOM 0 H LEU A 143 -12.162 18.795 -5.298 1.00 5.33 H new ATOM 0 HA LEU A 143 -12.122 18.785 -2.415 1.00 6.23 H new ATOM 0 HB2 LEU A 143 -9.810 19.927 -3.999 1.00 6.61 H new ATOM 0 HB3 LEU A 143 -10.260 20.581 -2.437 1.00 6.61 H new ATOM 0 HG LEU A 143 -9.431 17.709 -2.957 1.00 6.79 H new ATOM 0 HD11 LEU A 143 -7.376 18.329 -1.744 1.00 7.64 H new ATOM 0 HD12 LEU A 143 -7.573 19.283 -3.234 1.00 7.64 H new ATOM 0 HD13 LEU A 143 -7.943 20.014 -1.654 1.00 7.64 H new ATOM 0 HD21 LEU A 143 -9.346 17.536 -0.499 1.00 6.92 H new ATOM 0 HD22 LEU A 143 -9.980 19.193 -0.365 1.00 6.92 H new ATOM 0 HD23 LEU A 143 -10.987 17.911 -1.076 1.00 6.92 H new ATOM 1544 N ASN A 144 -13.667 20.357 -4.277 1.00 7.08 N ATOM 1545 CA ASN A 144 -14.469 21.478 -4.745 1.00 8.03 C ATOM 1546 C ASN A 144 -15.796 20.972 -5.287 1.00 8.20 C ATOM 1547 O ASN A 144 -16.844 21.282 -4.689 1.00 8.61 O ATOM 1548 CB ASN A 144 -13.718 22.255 -5.832 1.00 8.72 C ATOM 1549 CG ASN A 144 -14.465 23.488 -6.300 1.00 9.25 C ATOM 1550 OD1 ASN A 144 -15.208 24.107 -5.538 1.00 9.46 O ATOM 1551 ND2 ASN A 144 -14.270 23.855 -7.555 1.00 9.73 N ATOM 1552 OXT ASN A 144 -15.779 20.234 -6.293 1.00 8.17 O ATOM 0 H ASN A 144 -14.043 19.441 -4.521 1.00 7.08 H new ATOM 0 HA ASN A 144 -14.658 22.149 -3.907 1.00 8.03 H new ATOM 0 HB2 ASN A 144 -12.741 22.552 -5.450 1.00 8.72 H new ATOM 0 HB3 ASN A 144 -13.541 21.599 -6.684 1.00 8.72 H new ATOM 0 HD21 ASN A 144 -14.744 24.679 -7.925 1.00 9.73 H new ATOM 0 HD22 ASN A 144 -13.646 23.314 -8.153 1.00 9.73 H new TER 1559 ASN A 144